----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:01:49]------------------------- 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 7.788967810339560 0.000000000000000 0.000000000000000 b 0.000000000000000 8.789672680000001 0.000000000000000 c -0.065711548244502 0.000000000000000 8.308563433948121 Atomic positions (fractional): *1 Be 0.42997334083430 0.19450570251000 0.94498440765378 9.012 *2 Be 0.93057405532611 0.07791213698186 0.23369654646366 9.012 3 Be 0.06942594467389 0.57791213698186 0.26630345353634 9.012 4 Be 0.06942594467389 0.92208786301814 0.76630345353634 9.012 5 Be 0.93057405532611 0.42208786301814 0.73369654646366 9.012 6 Be 0.57002665916569 0.69450570251000 0.55501559234622 9.012 7 Be 0.57002665916569 0.80549429749000 0.05501559234622 9.012 8 Be 0.42997334083430 0.30549429749000 0.44498440765378 9.012 *9 O 0.74174848166186 0.07771383007852 0.31790878412975 15.999 10 O 0.74174848166186 0.42228616992148 0.81790878412975 15.999 11 O 0.25825151833814 0.92228616992148 0.68209121587025 15.999 12 O 0.25825151833814 0.57771383007852 0.18209121587025 15.999 *13 O 0.23979157330010 0.34751741516855 0.49841177413338 15.999 14 O 0.76020842669990 0.84751741516855 0.00158822586662 15.999 15 O 0.76020842669990 0.65248258483145 0.50158822586662 15.999 16 O 0.23979157330010 0.15248258483145 0.99841177413338 15.999 *17 O 0.93074399635448 0.19169977928070 0.08140897448040 15.999 18 O 0.06925600364552 0.69169977928070 0.41859102551960 15.999 19 O 0.06925600364552 0.80830022071930 0.91859102551960 15.999 20 O 0.93074399635448 0.30830022071930 0.58140897448040 15.999 *21 O 0.50708034577979 0.07534384006819 0.81202026762033 15.999 22 O 0.49291965422021 0.57534384006819 0.68797973237967 15.999 23 O 0.49291965422021 0.92465615993181 0.18797973237967 15.999 24 O 0.50708034577979 0.42465615993181 0.31202026762033 15.999 *25 O 0.99432871932697 0.08850841054825 0.80780435657929 15.999 26 O 0.00567128067303 0.58850841054825 0.69219564342071 15.999 27 O 0.00567128067303 0.91149158945175 0.19219564342071 15.999 28 O 0.99432871932697 0.41149158945175 0.30780435657929 15.999 *29 O 0.43545291493526 0.36751842177054 0.87290669955405 15.999 30 O 0.56454708506474 0.86751842177054 0.62709330044595 15.999 31 O 0.56454708506474 0.63248157822946 0.12709330044595 15.999 32 O 0.43545291493526 0.13248157822946 0.37290669955405 15.999 *33 O 0.05795655237641 0.36409391812634 0.87819306764594 15.999 34 O 0.94204344762359 0.86409391812634 0.62180693235406 15.999 35 O 0.94204344762359 0.63590608187366 0.12180693235406 15.999 36 O 0.05795655237641 0.13590608187366 0.37819306764594 15.999 *37 O 0.56534054637892 0.30629911517140 0.59663062951690 15.999 38 O 0.43465945362108 0.80629911517140 0.90336937048310 15.999 39 O 0.43465945362108 0.69370088482860 0.40336937048310 15.999 40 O 0.56534054637892 0.19370088482860 0.09663062951690 15.999 *41 P 0.06076214096574 0.30248969366327 0.44165995023031 30.974 42 P 0.93923785903426 0.80248969366327 0.05834004976969 30.974 43 P 0.93923785903426 0.69751030633673 0.55834004976969 30.974 44 P 0.06076214096574 0.19751030633673 0.94165995023031 30.974 *45 P 0.56048434138305 0.08180733841164 0.23873611197744 30.974 46 P 0.43951565861696 0.58180733841164 0.26126388802256 30.974 47 P 0.43951565861696 0.91819266158836 0.76126388802256 30.974 48 P 0.56048434138305 0.41819266158836 0.73873611197744 30.974 *49 Ca 0.75606774616131 0.41417640654606 0.11481222686119 40.078 50 Ca 0.24393225383869 0.91417640654606 0.38518777313881 40.078 51 Ca 0.24393225383869 0.58582359345394 0.88518777313881 40.078 52 Ca 0.75606774616131 0.08582359345394 0.61481222686119 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.788967810339560 0.000000000000000 0.000000000000000 b 0.000000000000000 8.789672680000001 0.000000000000000 c -0.065711548244502 0.000000000000000 8.308563433948121 Atomic positions (fractional): *1 Be 0.42997334083430 0.19450570251000 0.94498440765378 9.012 > 1 *2 Be 0.93057405532611 0.07791213698186 0.23369654646366 9.012 > 2 3 Be 0.06942594467389 0.57791213698186 0.26630345353634 9.012 > 3 4 Be 0.06942594467389 0.92208786301814 0.76630345353634 9.012 > 4 5 Be 0.93057405532611 0.42208786301814 0.73369654646366 9.012 > 5 6 Be 0.57002665916569 0.69450570251000 0.55501559234622 9.012 > 6 7 Be 0.57002665916569 0.80549429749000 0.05501559234622 9.012 > 7 8 Be 0.42997334083430 0.30549429749000 0.44498440765378 9.012 > 8 *9 O 0.74174848166186 0.07771383007852 0.31790878412975 15.999 > 9 10 O 0.74174848166186 0.42228616992148 0.81790878412975 15.999 > 10 11 O 0.25825151833814 0.92228616992148 0.68209121587025 15.999 > 11 12 O 0.25825151833814 0.57771383007852 0.18209121587025 15.999 > 12 *13 O 0.23979157330010 0.34751741516855 0.49841177413338 15.999 > 13 14 O 0.76020842669990 0.84751741516855 0.00158822586662 15.999 > 14 15 O 0.76020842669990 0.65248258483145 0.50158822586662 15.999 > 15 16 O 0.23979157330010 0.15248258483145 0.99841177413338 15.999 > 16 *17 O 0.93074399635448 0.19169977928070 0.08140897448040 15.999 > 17 18 O 0.06925600364552 0.69169977928070 0.41859102551960 15.999 > 18 19 O 0.06925600364552 0.80830022071930 0.91859102551960 15.999 > 19 20 O 0.93074399635448 0.30830022071930 0.58140897448040 15.999 > 20 *21 O 0.50708034577979 0.07534384006819 0.81202026762033 15.999 > 21 22 O 0.49291965422021 0.57534384006819 0.68797973237967 15.999 > 22 23 O 0.49291965422021 0.92465615993181 0.18797973237967 15.999 > 23 24 O 0.50708034577979 0.42465615993181 0.31202026762033 15.999 > 24 *25 O 0.99432871932697 0.08850841054825 0.80780435657929 15.999 > 25 26 O 0.00567128067303 0.58850841054825 0.69219564342071 15.999 > 26 27 O 0.00567128067303 0.91149158945175 0.19219564342071 15.999 > 27 28 O 0.99432871932697 0.41149158945175 0.30780435657929 15.999 > 28 *29 O 0.43545291493526 0.36751842177054 0.87290669955405 15.999 > 29 30 O 0.56454708506474 0.86751842177054 0.62709330044595 15.999 > 30 31 O 0.56454708506474 0.63248157822946 0.12709330044595 15.999 > 31 32 O 0.43545291493526 0.13248157822946 0.37290669955405 15.999 > 32 *33 O 0.05795655237641 0.36409391812634 0.87819306764594 15.999 > 33 34 O 0.94204344762359 0.86409391812634 0.62180693235406 15.999 > 34 35 O 0.94204344762359 0.63590608187366 0.12180693235406 15.999 > 35 36 O 0.05795655237641 0.13590608187366 0.37819306764594 15.999 > 36 *37 O 0.56534054637892 0.30629911517140 0.59663062951690 15.999 > 37 38 O 0.43465945362108 0.80629911517140 0.90336937048310 15.999 > 38 39 O 0.43465945362108 0.69370088482860 0.40336937048310 15.999 > 39 40 O 0.56534054637892 0.19370088482860 0.09663062951690 15.999 > 40 *41 P 0.06076214096574 0.30248969366327 0.44165995023031 30.974 > 41 42 P 0.93923785903426 0.80248969366327 0.05834004976969 30.974 > 42 43 P 0.93923785903426 0.69751030633673 0.55834004976969 30.974 > 43 44 P 0.06076214096574 0.19751030633673 0.94165995023031 30.974 > 44 *45 P 0.56048434138305 0.08180733841164 0.23873611197744 30.974 > 45 46 P 0.43951565861696 0.58180733841164 0.26126388802256 30.974 > 46 47 P 0.43951565861696 0.91819266158836 0.76126388802256 30.974 > 47 48 P 0.56048434138305 0.41819266158836 0.73873611197744 30.974 > 48 *49 Ca 0.75606774616131 0.41417640654606 0.11481222686119 40.078 > 49 50 Ca 0.24393225383869 0.91417640654606 0.38518777313881 40.078 > 50 51 Ca 0.24393225383869 0.58582359345394 0.88518777313881 40.078 > 51 52 Ca 0.75606774616131 0.08582359345394 0.61481222686119 40.078 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.577935620679121 0.000000000000000 0.000000000000000 b 0.000000000000000 8.789672680000001 0.000000000000000 c -0.065711548244502 0.000000000000000 8.308563433948121 Atomic positions (fractional): *1 Be 0.21498667041715 0.19450570251000 0.94498440765378 9.012 > 1 2 Be 0.71498667041715 0.19450570251000 0.94498440765378 9.012 > 1 *3 Be 0.46528702766306 0.07791213698186 0.23369654646366 9.012 > 2 4 Be 0.96528702766306 0.07791213698186 0.23369654646366 9.012 > 2 5 Be 0.03471297233694 0.57791213698186 0.26630345353634 9.012 > 3 6 Be 0.53471297233694 0.57791213698186 0.26630345353634 9.012 > 3 7 Be 0.03471297233694 0.92208786301814 0.76630345353634 9.012 > 4 8 Be 0.53471297233694 0.92208786301814 0.76630345353634 9.012 > 4 9 Be 0.46528702766306 0.42208786301814 0.73369654646366 9.012 > 5 10 Be 0.96528702766306 0.42208786301814 0.73369654646366 9.012 > 5 11 Be 0.28501332958285 0.69450570251000 0.55501559234622 9.012 > 6 12 Be 0.78501332958285 0.69450570251000 0.55501559234622 9.012 > 6 13 Be 0.28501332958285 0.80549429749000 0.05501559234622 9.012 > 7 14 Be 0.78501332958285 0.80549429749000 0.05501559234622 9.012 > 7 15 Be 0.21498667041715 0.30549429749000 0.44498440765378 9.012 > 8 16 Be 0.71498667041715 0.30549429749000 0.44498440765378 9.012 > 8 *17 O 0.37087424083093 0.07771383007852 0.31790878412975 15.999 > 9 18 O 0.87087424083093 0.07771383007852 0.31790878412975 15.999 > 9 19 O 0.37087424083093 0.42228616992148 0.81790878412975 15.999 > 10 20 O 0.87087424083093 0.42228616992148 0.81790878412975 15.999 > 10 21 O 0.12912575916907 0.92228616992148 0.68209121587025 15.999 > 11 22 O 0.62912575916907 0.92228616992148 0.68209121587025 15.999 > 11 23 O 0.12912575916907 0.57771383007852 0.18209121587025 15.999 > 12 24 O 0.62912575916907 0.57771383007852 0.18209121587025 15.999 > 12 *25 O 0.11989578665005 0.34751741516855 0.49841177413338 15.999 > 13 26 O 0.61989578665005 0.34751741516855 0.49841177413338 15.999 > 13 27 O 0.38010421334995 0.84751741516855 0.00158822586662 15.999 > 14 28 O 0.88010421334995 0.84751741516855 0.00158822586662 15.999 > 14 29 O 0.38010421334995 0.65248258483145 0.50158822586662 15.999 > 15 30 O 0.88010421334995 0.65248258483145 0.50158822586662 15.999 > 15 31 O 0.11989578665005 0.15248258483145 0.99841177413338 15.999 > 16 32 O 0.61989578665005 0.15248258483145 0.99841177413338 15.999 > 16 *33 O 0.46537199817724 0.19169977928070 0.08140897448040 15.999 > 17 34 O 0.96537199817724 0.19169977928070 0.08140897448040 15.999 > 17 35 O 0.03462800182276 0.69169977928070 0.41859102551960 15.999 > 18 36 O 0.53462800182276 0.69169977928070 0.41859102551960 15.999 > 18 37 O 0.03462800182276 0.80830022071930 0.91859102551960 15.999 > 19 38 O 0.53462800182276 0.80830022071930 0.91859102551960 15.999 > 19 39 O 0.46537199817724 0.30830022071930 0.58140897448040 15.999 > 20 40 O 0.96537199817724 0.30830022071930 0.58140897448040 15.999 > 20 *41 O 0.25354017288990 0.07534384006819 0.81202026762033 15.999 > 21 42 O 0.75354017288990 0.07534384006819 0.81202026762033 15.999 > 21 43 O 0.24645982711010 0.57534384006819 0.68797973237967 15.999 > 22 44 O 0.74645982711010 0.57534384006819 0.68797973237967 15.999 > 22 45 O 0.24645982711010 0.92465615993181 0.18797973237967 15.999 > 23 46 O 0.74645982711010 0.92465615993181 0.18797973237967 15.999 > 23 47 O 0.25354017288990 0.42465615993181 0.31202026762033 15.999 > 24 48 O 0.75354017288990 0.42465615993181 0.31202026762033 15.999 > 24 *49 O 0.49716435966348 0.08850841054825 0.80780435657929 15.999 > 25 50 O 0.99716435966348 0.08850841054825 0.80780435657929 15.999 > 25 51 O 0.00283564033652 0.58850841054825 0.69219564342071 15.999 > 26 52 O 0.50283564033652 0.58850841054825 0.69219564342071 15.999 > 26 53 O 0.00283564033652 0.91149158945175 0.19219564342071 15.999 > 27 54 O 0.50283564033652 0.91149158945175 0.19219564342071 15.999 > 27 55 O 0.49716435966348 0.41149158945175 0.30780435657929 15.999 > 28 56 O 0.99716435966348 0.41149158945175 0.30780435657929 15.999 > 28 *57 O 0.21772645746763 0.36751842177054 0.87290669955405 15.999 > 29 58 O 0.71772645746763 0.36751842177054 0.87290669955405 15.999 > 29 59 O 0.28227354253237 0.86751842177054 0.62709330044595 15.999 > 30 60 O 0.78227354253237 0.86751842177054 0.62709330044595 15.999 > 30 61 O 0.28227354253237 0.63248157822946 0.12709330044595 15.999 > 31 62 O 0.78227354253237 0.63248157822946 0.12709330044595 15.999 > 31 63 O 0.21772645746763 0.13248157822946 0.37290669955405 15.999 > 32 64 O 0.71772645746763 0.13248157822946 0.37290669955405 15.999 > 32 *65 O 0.02897827618821 0.36409391812634 0.87819306764594 15.999 > 33 66 O 0.52897827618821 0.36409391812634 0.87819306764594 15.999 > 33 67 O 0.47102172381179 0.86409391812634 0.62180693235406 15.999 > 34 68 O 0.97102172381179 0.86409391812634 0.62180693235406 15.999 > 34 69 O 0.47102172381179 0.63590608187366 0.12180693235406 15.999 > 35 70 O 0.97102172381179 0.63590608187366 0.12180693235406 15.999 > 35 71 O 0.02897827618821 0.13590608187366 0.37819306764594 15.999 > 36 72 O 0.52897827618821 0.13590608187366 0.37819306764594 15.999 > 36 *73 O 0.28267027318946 0.30629911517140 0.59663062951690 15.999 > 37 74 O 0.78267027318946 0.30629911517140 0.59663062951690 15.999 > 37 75 O 0.21732972681054 0.80629911517140 0.90336937048310 15.999 > 38 76 O 0.71732972681054 0.80629911517140 0.90336937048310 15.999 > 38 77 O 0.21732972681054 0.69370088482860 0.40336937048310 15.999 > 39 78 O 0.71732972681054 0.69370088482860 0.40336937048310 15.999 > 39 79 O 0.28267027318946 0.19370088482860 0.09663062951690 15.999 > 40 80 O 0.78267027318946 0.19370088482860 0.09663062951690 15.999 > 40 *81 P 0.03038107048287 0.30248969366327 0.44165995023031 30.974 > 41 82 P 0.53038107048287 0.30248969366327 0.44165995023031 30.974 > 41 83 P 0.46961892951713 0.80248969366327 0.05834004976969 30.974 > 42 84 P 0.96961892951713 0.80248969366327 0.05834004976969 30.974 > 42 85 P 0.46961892951713 0.69751030633673 0.55834004976969 30.974 > 43 86 P 0.96961892951713 0.69751030633673 0.55834004976969 30.974 > 43 87 P 0.03038107048287 0.19751030633673 0.94165995023031 30.974 > 44 88 P 0.53038107048287 0.19751030633673 0.94165995023031 30.974 > 44 *89 P 0.28024217069152 0.08180733841164 0.23873611197744 30.974 > 45 90 P 0.78024217069152 0.08180733841164 0.23873611197744 30.974 > 45 91 P 0.21975782930848 0.58180733841164 0.26126388802256 30.974 > 46 92 P 0.71975782930848 0.58180733841164 0.26126388802256 30.974 > 46 93 P 0.21975782930848 0.91819266158836 0.76126388802256 30.974 > 47 94 P 0.71975782930848 0.91819266158836 0.76126388802256 30.974 > 47 95 P 0.28024217069152 0.41819266158836 0.73873611197744 30.974 > 48 96 P 0.78024217069152 0.41819266158836 0.73873611197744 30.974 > 48 *97 Ca 0.37803387308066 0.41417640654606 0.11481222686119 40.078 > 49 98 Ca 0.87803387308066 0.41417640654606 0.11481222686119 40.078 > 49 99 Ca 0.12196612691934 0.91417640654606 0.38518777313881 40.078 > 50 100 Ca 0.62196612691934 0.91417640654606 0.38518777313881 40.078 > 50 101 Ca 0.12196612691934 0.58582359345394 0.88518777313881 40.078 > 51 102 Ca 0.62196612691934 0.58582359345394 0.88518777313881 40.078 > 51 103 Ca 0.37803387308066 0.08582359345394 0.61481222686119 40.078 > 52 104 Ca 0.87803387308066 0.08582359345394 0.61481222686119 40.078 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7599692 0.0000000 -0.0028400 0.0000000 2.7707604 0.0000000 -0.0028395 0.0000000 2.7183581 -------------------------- Born effective charges -------------------------- 1 Be 2.0185720 0.2103278 -0.0436633 -0.1976342 1.9742864 0.0464601 0.2304776 -0.0933233 1.9604188 2 Be 1.8804289 0.0847192 -0.1916709 -0.0035962 1.9445988 0.1833668 0.0254480 0.0335772 1.9411891 3 Be 1.8804289 -0.0847192 -0.1916709 0.0035962 1.9445988 -0.1833668 0.0254480 -0.0335772 1.9411891 4 Be 1.8804289 0.0847192 -0.1916709 -0.0035962 1.9445988 0.1833668 0.0254480 0.0335772 1.9411891 5 Be 1.8804289 -0.0847192 -0.1916709 0.0035962 1.9445988 -0.1833668 0.0254480 -0.0335772 1.9411891 6 Be 2.0185720 -0.2103278 -0.0436633 0.1976342 1.9742864 -0.0464601 0.2304776 0.0933233 1.9604188 7 Be 2.0185720 0.2103278 -0.0436633 -0.1976342 1.9742864 0.0464601 0.2304776 -0.0933233 1.9604188 8 Be 2.0185720 -0.2103278 -0.0436633 0.1976342 1.9742864 -0.0464601 0.2304776 0.0933233 1.9604188 9 O -2.3934656 -0.0078201 -0.1887471 -0.0035273 -1.0155576 -0.0260583 -0.2042964 0.0017174 -1.5829596 10 O -2.3934656 0.0078201 -0.1887471 0.0035273 -1.0155576 0.0260583 -0.2042964 -0.0017174 -1.5829596 11 O -2.3934656 -0.0078201 -0.1887471 -0.0035273 -1.0155576 -0.0260583 -0.2042964 0.0017174 -1.5829596 12 O -2.3934656 0.0078201 -0.1887471 0.0035273 -1.0155576 0.0260583 -0.2042964 -0.0017174 -1.5829596 13 O -2.5080269 -0.1020994 -0.0924562 -0.1654255 -1.0865905 -0.0360776 -0.1095190 -0.0598749 -1.1137869 14 O -2.5080269 0.1020994 -0.0924562 0.1654255 -1.0865905 0.0360776 -0.1095190 0.0598749 -1.1137869 15 O -2.5080269 -0.1020994 -0.0924562 -0.1654255 -1.0865905 -0.0360776 -0.1095190 -0.0598749 -1.1137869 16 O -2.5080269 0.1020994 -0.0924562 0.1654255 -1.0865905 0.0360776 -0.1095190 0.0598749 -1.1137869 17 O -1.5261016 0.0813739 0.6074632 0.1215121 -1.4536217 0.2022105 0.6700592 0.2557193 -2.0279425 18 O -1.5261016 -0.0813739 0.6074632 -0.1215121 -1.4536217 -0.2022105 0.6700592 -0.2557193 -2.0279425 19 O -1.5261016 0.0813739 0.6074632 0.1215121 -1.4536217 0.2022105 0.6700592 0.2557193 -2.0279425 20 O -1.5261016 -0.0813739 0.6074632 -0.1215121 -1.4536217 -0.2022105 0.6700592 -0.2557193 -2.0279425 21 O -1.3263001 -0.1870784 0.1772282 -0.2044760 -2.1205104 -0.4654712 0.1580355 -0.4271419 -1.3921952 22 O -1.3263001 0.1870784 0.1772282 0.2044760 -2.1205104 0.4654712 0.1580355 0.4271419 -1.3921952 23 O -1.3263001 -0.1870784 0.1772282 -0.2044760 -2.1205104 -0.4654712 0.1580355 -0.4271419 -1.3921952 24 O -1.3263001 0.1870784 0.1772282 0.2044760 -2.1205104 0.4654712 0.1580355 0.4271419 -1.3921952 25 O -1.3109772 -0.0329449 -0.2997347 -0.0674309 -2.0292186 -0.6168504 -0.3665820 -0.5189844 -1.7275985 26 O -1.3109772 0.0329449 -0.2997347 0.0674309 -2.0292186 0.6168504 -0.3665820 0.5189844 -1.7275985 27 O -1.3109772 -0.0329449 -0.2997347 -0.0674309 -2.0292186 -0.6168504 -0.3665820 -0.5189844 -1.7275985 28 O -1.3109772 0.0329449 -0.2997347 0.0674309 -2.0292186 0.6168504 -0.3665820 0.5189844 -1.7275985 29 O -1.5487359 -0.1427746 0.4712385 -0.0255175 -1.7323649 0.3560845 0.4317635 0.3615377 -1.6458064 30 O -1.5487359 0.1427746 0.4712385 0.0255175 -1.7323649 -0.3560845 0.4317635 -0.3615377 -1.6458064 31 O -1.5487359 -0.1427746 0.4712385 -0.0255175 -1.7323649 0.3560845 0.4317635 0.3615377 -1.6458064 32 O -1.5487359 0.1427746 0.4712385 0.0255175 -1.7323649 -0.3560845 0.4317635 -0.3615377 -1.6458064 33 O -1.3827852 0.0398832 -0.1927386 0.0345366 -2.2813809 0.4844966 -0.2012886 0.4980717 -1.4802544 34 O -1.3827852 -0.0398832 -0.1927386 -0.0345366 -2.2813809 -0.4844966 -0.2012886 -0.4980717 -1.4802544 35 O -1.3827852 0.0398832 -0.1927386 0.0345366 -2.2813809 0.4844966 -0.2012886 0.4980717 -1.4802544 36 O -1.3827852 -0.0398832 -0.1927386 -0.0345366 -2.2813809 -0.4844966 -0.2012886 -0.4980717 -1.4802544 37 O -1.3305054 0.1280708 -0.2637011 0.1351692 -1.6505762 -0.4433806 -0.3246655 -0.5630310 -2.0013904 38 O -1.3305054 -0.1280708 -0.2637011 -0.1351692 -1.6505762 0.4433806 -0.3246655 0.5630310 -2.0013904 39 O -1.3305054 0.1280708 -0.2637011 0.1351692 -1.6505762 -0.4433806 -0.3246655 -0.5630310 -2.0013904 40 O -1.3305054 -0.1280708 -0.2637011 -0.1351692 -1.6505762 0.4433806 -0.3246655 0.5630310 -2.0013904 41 P 3.3787412 0.1172461 -0.0434204 0.0036041 3.5468577 -0.0426541 -0.2451446 0.0893603 3.3724918 42 P 3.3787412 -0.1172461 -0.0434204 -0.0036041 3.5468577 0.0426541 -0.2451446 -0.0893603 3.3724918 43 P 3.3787412 0.1172461 -0.0434204 0.0036041 3.5468577 -0.0426541 -0.2451446 0.0893603 3.3724918 44 P 3.3787412 -0.1172461 -0.0434204 -0.0036041 3.5468577 0.0426541 -0.2451446 -0.0893603 3.3724918 45 P 3.3974965 -0.0216844 -0.0035856 0.1185131 3.2688024 0.0601355 -0.0283233 -0.0581021 3.3527777 46 P 3.3974965 0.0216844 -0.0035856 -0.1185131 3.2688024 -0.0601355 -0.0283233 0.0581021 3.3527777 47 P 3.3974965 -0.0216844 -0.0035856 0.1185131 3.2688024 0.0601355 -0.0283233 -0.0581021 3.3527777 48 P 3.3974965 0.0216844 -0.0035856 -0.1185131 3.2688024 -0.0601355 -0.0283233 0.0581021 3.3527777 49 Ca 2.6516593 -0.0764664 0.0637880 -0.0634447 2.6352754 0.1418818 -0.0359643 0.1583710 2.3450565 50 Ca 2.6516593 0.0764664 0.0637880 0.0634447 2.6352754 -0.1418818 -0.0359643 -0.1583710 2.3450565 51 Ca 2.6516593 -0.0764664 0.0637880 -0.0634447 2.6352754 0.1418818 -0.0359643 0.1583710 2.3450565 52 Ca 2.6516593 0.0764664 0.0637880 0.0634447 2.6352754 -0.1418818 -0.0359643 -0.1583710 2.3450565 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1600 - Time: 2.341 Solver_block: 200 / 1600 - Time: 2.591 Solver_block: 300 / 1600 - Time: 2.052 Solver_block: 400 / 1600 - Time: 2.416 Solver_block: 500 / 1600 - Time: 2.150 Solver_block: 600 / 1600 - Time: 1.723 Solver_block: 700 / 1600 - Time: 1.531 Solver_block: 800 / 1600 - Time: 1.512 Solver_block: 900 / 1600 - Time: 1.501 Solver_block: 1000 / 1600 - Time: 2.805 Solver_block: 1100 / 1600 - Time: 1.888 Solver_block: 1200 / 1600 - Time: 2.109 Solver_block: 1300 / 1600 - Time: 2.140 Solver_block: 1400 / 1600 - Time: 2.471 Solver_block: 1500 / 1600 - Time: 2.127 Solver_block: 1600 / 1600 - Time: 2.052 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 35.196 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:04:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:04:11]------------------------- 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 7.788967810339560 0.000000000000000 0.000000000000000 b 0.000000000000000 8.789672680000001 0.000000000000000 c -0.065711548244502 0.000000000000000 8.308563433948121 Atomic positions (fractional): 1 Be 0.42997334083430 0.19450570251000 0.94498440765378 9.012 2 Be 0.93057405532611 0.07791213698186 0.23369654646366 9.012 3 Be 0.06942594467389 0.57791213698186 0.26630345353634 9.012 4 Be 0.06942594467389 0.92208786301814 0.76630345353634 9.012 5 Be 0.93057405532611 0.42208786301814 0.73369654646366 9.012 6 Be 0.57002665916569 0.69450570251000 0.55501559234622 9.012 7 Be 0.57002665916569 0.80549429749000 0.05501559234622 9.012 8 Be 0.42997334083430 0.30549429749000 0.44498440765378 9.012 9 O 0.74174848166186 0.07771383007852 0.31790878412975 15.999 10 O 0.74174848166186 0.42228616992148 0.81790878412975 15.999 11 O 0.25825151833814 0.92228616992148 0.68209121587025 15.999 12 O 0.25825151833814 0.57771383007852 0.18209121587025 15.999 13 O 0.23979157330010 0.34751741516855 0.49841177413338 15.999 14 O 0.76020842669990 0.84751741516855 0.00158822586662 15.999 15 O 0.76020842669990 0.65248258483145 0.50158822586662 15.999 16 O 0.23979157330010 0.15248258483145 0.99841177413338 15.999 17 O 0.93074399635448 0.19169977928070 0.08140897448040 15.999 18 O 0.06925600364552 0.69169977928070 0.41859102551960 15.999 19 O 0.06925600364552 0.80830022071930 0.91859102551960 15.999 20 O 0.93074399635448 0.30830022071930 0.58140897448040 15.999 21 O 0.50708034577979 0.07534384006819 0.81202026762033 15.999 22 O 0.49291965422021 0.57534384006819 0.68797973237967 15.999 23 O 0.49291965422021 0.92465615993181 0.18797973237967 15.999 24 O 0.50708034577979 0.42465615993181 0.31202026762033 15.999 25 O 0.99432871932697 0.08850841054825 0.80780435657929 15.999 26 O 0.00567128067303 0.58850841054825 0.69219564342071 15.999 27 O 0.00567128067303 0.91149158945175 0.19219564342071 15.999 28 O 0.99432871932697 0.41149158945175 0.30780435657929 15.999 29 O 0.43545291493526 0.36751842177054 0.87290669955405 15.999 30 O 0.56454708506474 0.86751842177054 0.62709330044595 15.999 31 O 0.56454708506474 0.63248157822946 0.12709330044595 15.999 32 O 0.43545291493526 0.13248157822946 0.37290669955405 15.999 33 O 0.05795655237641 0.36409391812634 0.87819306764594 15.999 34 O 0.94204344762359 0.86409391812634 0.62180693235406 15.999 35 O 0.94204344762359 0.63590608187366 0.12180693235406 15.999 36 O 0.05795655237641 0.13590608187366 0.37819306764594 15.999 37 O 0.56534054637892 0.30629911517140 0.59663062951690 15.999 38 O 0.43465945362108 0.80629911517140 0.90336937048310 15.999 39 O 0.43465945362108 0.69370088482860 0.40336937048310 15.999 40 O 0.56534054637892 0.19370088482860 0.09663062951690 15.999 41 P 0.06076214096574 0.30248969366327 0.44165995023031 30.974 42 P 0.93923785903426 0.80248969366327 0.05834004976969 30.974 43 P 0.93923785903426 0.69751030633673 0.55834004976969 30.974 44 P 0.06076214096574 0.19751030633673 0.94165995023031 30.974 45 P 0.56048434138305 0.08180733841164 0.23873611197744 30.974 46 P 0.43951565861696 0.58180733841164 0.26126388802256 30.974 47 P 0.43951565861696 0.91819266158836 0.76126388802256 30.974 48 P 0.56048434138305 0.41819266158836 0.73873611197744 30.974 49 Ca 0.75606774616131 0.41417640654606 0.11481222686119 40.078 50 Ca 0.24393225383869 0.91417640654606 0.38518777313881 40.078 51 Ca 0.24393225383869 0.58582359345394 0.88518777313881 40.078 52 Ca 0.75606774616131 0.08582359345394 0.61481222686119 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.577935620679121 0.000000000000000 0.000000000000000 b 0.000000000000000 8.789672680000001 0.000000000000000 c -0.065711548244502 0.000000000000000 8.308563433948121 Atomic positions (fractional): 1 Be 0.21498667041715 0.19450570251000 0.94498440765378 9.012 > 1 2 Be 0.71498667041715 0.19450570251000 0.94498440765378 9.012 > 1 3 Be 0.46528702766306 0.07791213698186 0.23369654646366 9.012 > 3 4 Be 0.96528702766306 0.07791213698186 0.23369654646366 9.012 > 3 5 Be 0.03471297233694 0.57791213698186 0.26630345353634 9.012 > 5 6 Be 0.53471297233694 0.57791213698186 0.26630345353634 9.012 > 5 7 Be 0.03471297233694 0.92208786301814 0.76630345353634 9.012 > 7 8 Be 0.53471297233694 0.92208786301814 0.76630345353634 9.012 > 7 9 Be 0.46528702766306 0.42208786301814 0.73369654646366 9.012 > 9 10 Be 0.96528702766306 0.42208786301814 0.73369654646366 9.012 > 9 11 Be 0.28501332958285 0.69450570251000 0.55501559234622 9.012 > 11 12 Be 0.78501332958285 0.69450570251000 0.55501559234622 9.012 > 11 13 Be 0.28501332958285 0.80549429749000 0.05501559234622 9.012 > 13 14 Be 0.78501332958285 0.80549429749000 0.05501559234622 9.012 > 13 15 Be 0.21498667041715 0.30549429749000 0.44498440765378 9.012 > 15 16 Be 0.71498667041715 0.30549429749000 0.44498440765378 9.012 > 15 17 O 0.37087424083093 0.07771383007852 0.31790878412975 15.999 > 17 18 O 0.87087424083093 0.07771383007852 0.31790878412975 15.999 > 17 19 O 0.37087424083093 0.42228616992148 0.81790878412975 15.999 > 19 20 O 0.87087424083093 0.42228616992148 0.81790878412975 15.999 > 19 21 O 0.12912575916907 0.92228616992148 0.68209121587025 15.999 > 21 22 O 0.62912575916907 0.92228616992148 0.68209121587025 15.999 > 21 23 O 0.12912575916907 0.57771383007852 0.18209121587025 15.999 > 23 24 O 0.62912575916907 0.57771383007852 0.18209121587025 15.999 > 23 25 O 0.11989578665005 0.34751741516855 0.49841177413338 15.999 > 25 26 O 0.61989578665005 0.34751741516855 0.49841177413338 15.999 > 25 27 O 0.38010421334995 0.84751741516855 0.00158822586662 15.999 > 27 28 O 0.88010421334995 0.84751741516855 0.00158822586662 15.999 > 27 29 O 0.38010421334995 0.65248258483145 0.50158822586662 15.999 > 29 30 O 0.88010421334995 0.65248258483145 0.50158822586662 15.999 > 29 31 O 0.11989578665005 0.15248258483145 0.99841177413338 15.999 > 31 32 O 0.61989578665005 0.15248258483145 0.99841177413338 15.999 > 31 33 O 0.46537199817724 0.19169977928070 0.08140897448040 15.999 > 33 34 O 0.96537199817724 0.19169977928070 0.08140897448040 15.999 > 33 35 O 0.03462800182276 0.69169977928070 0.41859102551960 15.999 > 35 36 O 0.53462800182276 0.69169977928070 0.41859102551960 15.999 > 35 37 O 0.03462800182276 0.80830022071930 0.91859102551960 15.999 > 37 38 O 0.53462800182276 0.80830022071930 0.91859102551960 15.999 > 37 39 O 0.46537199817724 0.30830022071930 0.58140897448040 15.999 > 39 40 O 0.96537199817724 0.30830022071930 0.58140897448040 15.999 > 39 41 O 0.25354017288990 0.07534384006819 0.81202026762033 15.999 > 41 42 O 0.75354017288990 0.07534384006819 0.81202026762033 15.999 > 41 43 O 0.24645982711010 0.57534384006819 0.68797973237967 15.999 > 43 44 O 0.74645982711010 0.57534384006819 0.68797973237967 15.999 > 43 45 O 0.24645982711010 0.92465615993181 0.18797973237967 15.999 > 45 46 O 0.74645982711010 0.92465615993181 0.18797973237967 15.999 > 45 47 O 0.25354017288990 0.42465615993181 0.31202026762033 15.999 > 47 48 O 0.75354017288990 0.42465615993181 0.31202026762033 15.999 > 47 49 O 0.49716435966348 0.08850841054825 0.80780435657929 15.999 > 49 50 O 0.99716435966348 0.08850841054825 0.80780435657929 15.999 > 49 51 O 0.00283564033652 0.58850841054825 0.69219564342071 15.999 > 51 52 O 0.50283564033652 0.58850841054825 0.69219564342071 15.999 > 51 53 O 0.00283564033652 0.91149158945175 0.19219564342071 15.999 > 53 54 O 0.50283564033652 0.91149158945175 0.19219564342071 15.999 > 53 55 O 0.49716435966348 0.41149158945175 0.30780435657929 15.999 > 55 56 O 0.99716435966348 0.41149158945175 0.30780435657929 15.999 > 55 57 O 0.21772645746763 0.36751842177054 0.87290669955405 15.999 > 57 58 O 0.71772645746763 0.36751842177054 0.87290669955405 15.999 > 57 59 O 0.28227354253237 0.86751842177054 0.62709330044595 15.999 > 59 60 O 0.78227354253237 0.86751842177054 0.62709330044595 15.999 > 59 61 O 0.28227354253237 0.63248157822946 0.12709330044595 15.999 > 61 62 O 0.78227354253237 0.63248157822946 0.12709330044595 15.999 > 61 63 O 0.21772645746763 0.13248157822946 0.37290669955405 15.999 > 63 64 O 0.71772645746763 0.13248157822946 0.37290669955405 15.999 > 63 65 O 0.02897827618821 0.36409391812634 0.87819306764594 15.999 > 65 66 O 0.52897827618821 0.36409391812634 0.87819306764594 15.999 > 65 67 O 0.47102172381179 0.86409391812634 0.62180693235406 15.999 > 67 68 O 0.97102172381179 0.86409391812634 0.62180693235406 15.999 > 67 69 O 0.47102172381179 0.63590608187366 0.12180693235406 15.999 > 69 70 O 0.97102172381179 0.63590608187366 0.12180693235406 15.999 > 69 71 O 0.02897827618821 0.13590608187366 0.37819306764594 15.999 > 71 72 O 0.52897827618821 0.13590608187366 0.37819306764594 15.999 > 71 73 O 0.28267027318946 0.30629911517140 0.59663062951690 15.999 > 73 74 O 0.78267027318946 0.30629911517140 0.59663062951690 15.999 > 73 75 O 0.21732972681054 0.80629911517140 0.90336937048310 15.999 > 75 76 O 0.71732972681054 0.80629911517140 0.90336937048310 15.999 > 75 77 O 0.21732972681054 0.69370088482860 0.40336937048310 15.999 > 77 78 O 0.71732972681054 0.69370088482860 0.40336937048310 15.999 > 77 79 O 0.28267027318946 0.19370088482860 0.09663062951690 15.999 > 79 80 O 0.78267027318946 0.19370088482860 0.09663062951690 15.999 > 79 81 P 0.03038107048287 0.30248969366327 0.44165995023031 30.974 > 81 82 P 0.53038107048287 0.30248969366327 0.44165995023031 30.974 > 81 83 P 0.46961892951713 0.80248969366327 0.05834004976969 30.974 > 83 84 P 0.96961892951713 0.80248969366327 0.05834004976969 30.974 > 83 85 P 0.46961892951713 0.69751030633673 0.55834004976969 30.974 > 85 86 P 0.96961892951713 0.69751030633673 0.55834004976969 30.974 > 85 87 P 0.03038107048287 0.19751030633673 0.94165995023031 30.974 > 87 88 P 0.53038107048287 0.19751030633673 0.94165995023031 30.974 > 87 89 P 0.28024217069152 0.08180733841164 0.23873611197744 30.974 > 89 90 P 0.78024217069152 0.08180733841164 0.23873611197744 30.974 > 89 91 P 0.21975782930848 0.58180733841164 0.26126388802256 30.974 > 91 92 P 0.71975782930848 0.58180733841164 0.26126388802256 30.974 > 91 93 P 0.21975782930848 0.91819266158836 0.76126388802256 30.974 > 93 94 P 0.71975782930848 0.91819266158836 0.76126388802256 30.974 > 93 95 P 0.28024217069152 0.41819266158836 0.73873611197744 30.974 > 95 96 P 0.78024217069152 0.41819266158836 0.73873611197744 30.974 > 95 97 Ca 0.37803387308066 0.41417640654606 0.11481222686119 40.078 > 97 98 Ca 0.87803387308066 0.41417640654606 0.11481222686119 40.078 > 97 99 Ca 0.12196612691934 0.91417640654606 0.38518777313881 40.078 > 99 100 Ca 0.62196612691934 0.91417640654606 0.38518777313881 40.078 > 99 101 Ca 0.12196612691934 0.58582359345394 0.88518777313881 40.078 > 101 102 Ca 0.62196612691934 0.58582359345394 0.88518777313881 40.078 > 101 103 Ca 0.37803387308066 0.08582359345394 0.61481222686119 40.078 > 103 104 Ca 0.87803387308066 0.08582359345394 0.61481222686119 40.078 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7599692 0.0000000 -0.0028400 0.0000000 2.7707604 0.0000000 -0.0028395 0.0000000 2.7183581 -------------------------- Born effective charges -------------------------- 1 Be 2.0185720 0.2103278 -0.0436633 -0.1976342 1.9742864 0.0464601 0.2304776 -0.0933233 1.9604188 2 Be 1.8804289 0.0847192 -0.1916709 -0.0035962 1.9445988 0.1833668 0.0254480 0.0335772 1.9411891 3 Be 1.8804289 -0.0847192 -0.1916709 0.0035962 1.9445988 -0.1833668 0.0254480 -0.0335772 1.9411891 4 Be 1.8804289 0.0847192 -0.1916709 -0.0035962 1.9445988 0.1833668 0.0254480 0.0335772 1.9411891 5 Be 1.8804289 -0.0847192 -0.1916709 0.0035962 1.9445988 -0.1833668 0.0254480 -0.0335772 1.9411891 6 Be 2.0185720 -0.2103278 -0.0436633 0.1976342 1.9742864 -0.0464601 0.2304776 0.0933233 1.9604188 7 Be 2.0185720 0.2103278 -0.0436633 -0.1976342 1.9742864 0.0464601 0.2304776 -0.0933233 1.9604188 8 Be 2.0185720 -0.2103278 -0.0436633 0.1976342 1.9742864 -0.0464601 0.2304776 0.0933233 1.9604188 9 O -2.3934656 -0.0078201 -0.1887471 -0.0035273 -1.0155576 -0.0260583 -0.2042964 0.0017174 -1.5829596 10 O -2.3934656 0.0078201 -0.1887471 0.0035273 -1.0155576 0.0260583 -0.2042964 -0.0017174 -1.5829596 11 O -2.3934656 -0.0078201 -0.1887471 -0.0035273 -1.0155576 -0.0260583 -0.2042964 0.0017174 -1.5829596 12 O -2.3934656 0.0078201 -0.1887471 0.0035273 -1.0155576 0.0260583 -0.2042964 -0.0017174 -1.5829596 13 O -2.5080269 -0.1020994 -0.0924562 -0.1654255 -1.0865905 -0.0360776 -0.1095190 -0.0598749 -1.1137869 14 O -2.5080269 0.1020994 -0.0924562 0.1654255 -1.0865905 0.0360776 -0.1095190 0.0598749 -1.1137869 15 O -2.5080269 -0.1020994 -0.0924562 -0.1654255 -1.0865905 -0.0360776 -0.1095190 -0.0598749 -1.1137869 16 O -2.5080269 0.1020994 -0.0924562 0.1654255 -1.0865905 0.0360776 -0.1095190 0.0598749 -1.1137869 17 O -1.5261016 0.0813739 0.6074632 0.1215121 -1.4536217 0.2022105 0.6700592 0.2557193 -2.0279425 18 O -1.5261016 -0.0813739 0.6074632 -0.1215121 -1.4536217 -0.2022105 0.6700592 -0.2557193 -2.0279425 19 O -1.5261016 0.0813739 0.6074632 0.1215121 -1.4536217 0.2022105 0.6700592 0.2557193 -2.0279425 20 O -1.5261016 -0.0813739 0.6074632 -0.1215121 -1.4536217 -0.2022105 0.6700592 -0.2557193 -2.0279425 21 O -1.3263001 -0.1870784 0.1772282 -0.2044760 -2.1205104 -0.4654712 0.1580355 -0.4271419 -1.3921952 22 O -1.3263001 0.1870784 0.1772282 0.2044760 -2.1205104 0.4654712 0.1580355 0.4271419 -1.3921952 23 O -1.3263001 -0.1870784 0.1772282 -0.2044760 -2.1205104 -0.4654712 0.1580355 -0.4271419 -1.3921952 24 O -1.3263001 0.1870784 0.1772282 0.2044760 -2.1205104 0.4654712 0.1580355 0.4271419 -1.3921952 25 O -1.3109772 -0.0329449 -0.2997347 -0.0674309 -2.0292186 -0.6168504 -0.3665820 -0.5189844 -1.7275985 26 O -1.3109772 0.0329449 -0.2997347 0.0674309 -2.0292186 0.6168504 -0.3665820 0.5189844 -1.7275985 27 O -1.3109772 -0.0329449 -0.2997347 -0.0674309 -2.0292186 -0.6168504 -0.3665820 -0.5189844 -1.7275985 28 O -1.3109772 0.0329449 -0.2997347 0.0674309 -2.0292186 0.6168504 -0.3665820 0.5189844 -1.7275985 29 O -1.5487359 -0.1427746 0.4712385 -0.0255175 -1.7323649 0.3560845 0.4317635 0.3615377 -1.6458064 30 O -1.5487359 0.1427746 0.4712385 0.0255175 -1.7323649 -0.3560845 0.4317635 -0.3615377 -1.6458064 31 O -1.5487359 -0.1427746 0.4712385 -0.0255175 -1.7323649 0.3560845 0.4317635 0.3615377 -1.6458064 32 O -1.5487359 0.1427746 0.4712385 0.0255175 -1.7323649 -0.3560845 0.4317635 -0.3615377 -1.6458064 33 O -1.3827852 0.0398832 -0.1927386 0.0345366 -2.2813809 0.4844966 -0.2012886 0.4980717 -1.4802544 34 O -1.3827852 -0.0398832 -0.1927386 -0.0345366 -2.2813809 -0.4844966 -0.2012886 -0.4980717 -1.4802544 35 O -1.3827852 0.0398832 -0.1927386 0.0345366 -2.2813809 0.4844966 -0.2012886 0.4980717 -1.4802544 36 O -1.3827852 -0.0398832 -0.1927386 -0.0345366 -2.2813809 -0.4844966 -0.2012886 -0.4980717 -1.4802544 37 O -1.3305054 0.1280708 -0.2637011 0.1351692 -1.6505762 -0.4433806 -0.3246655 -0.5630310 -2.0013904 38 O -1.3305054 -0.1280708 -0.2637011 -0.1351692 -1.6505762 0.4433806 -0.3246655 0.5630310 -2.0013904 39 O -1.3305054 0.1280708 -0.2637011 0.1351692 -1.6505762 -0.4433806 -0.3246655 -0.5630310 -2.0013904 40 O -1.3305054 -0.1280708 -0.2637011 -0.1351692 -1.6505762 0.4433806 -0.3246655 0.5630310 -2.0013904 41 P 3.3787412 0.1172461 -0.0434204 0.0036041 3.5468577 -0.0426541 -0.2451446 0.0893603 3.3724918 42 P 3.3787412 -0.1172461 -0.0434204 -0.0036041 3.5468577 0.0426541 -0.2451446 -0.0893603 3.3724918 43 P 3.3787412 0.1172461 -0.0434204 0.0036041 3.5468577 -0.0426541 -0.2451446 0.0893603 3.3724918 44 P 3.3787412 -0.1172461 -0.0434204 -0.0036041 3.5468577 0.0426541 -0.2451446 -0.0893603 3.3724918 45 P 3.3974965 -0.0216844 -0.0035856 0.1185131 3.2688024 0.0601355 -0.0283233 -0.0581021 3.3527777 46 P 3.3974965 0.0216844 -0.0035856 -0.1185131 3.2688024 -0.0601355 -0.0283233 0.0581021 3.3527777 47 P 3.3974965 -0.0216844 -0.0035856 0.1185131 3.2688024 0.0601355 -0.0283233 -0.0581021 3.3527777 48 P 3.3974965 0.0216844 -0.0035856 -0.1185131 3.2688024 -0.0601355 -0.0283233 0.0581021 3.3527777 49 Ca 2.6516593 -0.0764664 0.0637880 -0.0634447 2.6352754 0.1418818 -0.0359643 0.1583710 2.3450565 50 Ca 2.6516593 0.0764664 0.0637880 0.0634447 2.6352754 -0.1418818 -0.0359643 -0.1583710 2.3450565 51 Ca 2.6516593 -0.0764664 0.0637880 -0.0634447 2.6352754 0.1418818 -0.0359643 0.1583710 2.3450565 52 Ca 2.6516593 0.0764664 0.0637880 0.0634447 2.6352754 -0.1418818 -0.0359643 -0.1583710 2.3450565 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:05:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:05:07]------------------------- 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 7.788967810339560 0.000000000000000 0.000000000000000 b 0.000000000000000 8.789672680000001 0.000000000000000 c -0.065711548244502 0.000000000000000 8.308563433948121 Atomic positions (fractional): 1 Be 0.42997334083430 0.19450570251000 0.94498440765378 9.012 2 Be 0.93057405532611 0.07791213698186 0.23369654646366 9.012 3 Be 0.06942594467389 0.57791213698186 0.26630345353634 9.012 4 Be 0.06942594467389 0.92208786301814 0.76630345353634 9.012 5 Be 0.93057405532611 0.42208786301814 0.73369654646366 9.012 6 Be 0.57002665916569 0.69450570251000 0.55501559234622 9.012 7 Be 0.57002665916569 0.80549429749000 0.05501559234622 9.012 8 Be 0.42997334083430 0.30549429749000 0.44498440765378 9.012 9 O 0.74174848166186 0.07771383007852 0.31790878412975 15.999 10 O 0.74174848166186 0.42228616992148 0.81790878412975 15.999 11 O 0.25825151833814 0.92228616992148 0.68209121587025 15.999 12 O 0.25825151833814 0.57771383007852 0.18209121587025 15.999 13 O 0.23979157330010 0.34751741516855 0.49841177413338 15.999 14 O 0.76020842669990 0.84751741516855 0.00158822586662 15.999 15 O 0.76020842669990 0.65248258483145 0.50158822586662 15.999 16 O 0.23979157330010 0.15248258483145 0.99841177413338 15.999 17 O 0.93074399635448 0.19169977928070 0.08140897448040 15.999 18 O 0.06925600364552 0.69169977928070 0.41859102551960 15.999 19 O 0.06925600364552 0.80830022071930 0.91859102551960 15.999 20 O 0.93074399635448 0.30830022071930 0.58140897448040 15.999 21 O 0.50708034577979 0.07534384006819 0.81202026762033 15.999 22 O 0.49291965422021 0.57534384006819 0.68797973237967 15.999 23 O 0.49291965422021 0.92465615993181 0.18797973237967 15.999 24 O 0.50708034577979 0.42465615993181 0.31202026762033 15.999 25 O 0.99432871932697 0.08850841054825 0.80780435657929 15.999 26 O 0.00567128067303 0.58850841054825 0.69219564342071 15.999 27 O 0.00567128067303 0.91149158945175 0.19219564342071 15.999 28 O 0.99432871932697 0.41149158945175 0.30780435657929 15.999 29 O 0.43545291493526 0.36751842177054 0.87290669955405 15.999 30 O 0.56454708506474 0.86751842177054 0.62709330044595 15.999 31 O 0.56454708506474 0.63248157822946 0.12709330044595 15.999 32 O 0.43545291493526 0.13248157822946 0.37290669955405 15.999 33 O 0.05795655237641 0.36409391812634 0.87819306764594 15.999 34 O 0.94204344762359 0.86409391812634 0.62180693235406 15.999 35 O 0.94204344762359 0.63590608187366 0.12180693235406 15.999 36 O 0.05795655237641 0.13590608187366 0.37819306764594 15.999 37 O 0.56534054637892 0.30629911517140 0.59663062951690 15.999 38 O 0.43465945362108 0.80629911517140 0.90336937048310 15.999 39 O 0.43465945362108 0.69370088482860 0.40336937048310 15.999 40 O 0.56534054637892 0.19370088482860 0.09663062951690 15.999 41 P 0.06076214096574 0.30248969366327 0.44165995023031 30.974 42 P 0.93923785903426 0.80248969366327 0.05834004976969 30.974 43 P 0.93923785903426 0.69751030633673 0.55834004976969 30.974 44 P 0.06076214096574 0.19751030633673 0.94165995023031 30.974 45 P 0.56048434138305 0.08180733841164 0.23873611197744 30.974 46 P 0.43951565861696 0.58180733841164 0.26126388802256 30.974 47 P 0.43951565861696 0.91819266158836 0.76126388802256 30.974 48 P 0.56048434138305 0.41819266158836 0.73873611197744 30.974 49 Ca 0.75606774616131 0.41417640654606 0.11481222686119 40.078 50 Ca 0.24393225383869 0.91417640654606 0.38518777313881 40.078 51 Ca 0.24393225383869 0.58582359345394 0.88518777313881 40.078 52 Ca 0.75606774616131 0.08582359345394 0.61481222686119 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.577935620679121 0.000000000000000 0.000000000000000 b 0.000000000000000 8.789672680000001 0.000000000000000 c -0.065711548244502 0.000000000000000 8.308563433948121 Atomic positions (fractional): 1 Be 0.21498667041715 0.19450570251000 0.94498440765378 9.012 > 1 2 Be 0.71498667041715 0.19450570251000 0.94498440765378 9.012 > 1 3 Be 0.46528702766306 0.07791213698186 0.23369654646366 9.012 > 3 4 Be 0.96528702766306 0.07791213698186 0.23369654646366 9.012 > 3 5 Be 0.03471297233694 0.57791213698186 0.26630345353634 9.012 > 5 6 Be 0.53471297233694 0.57791213698186 0.26630345353634 9.012 > 5 7 Be 0.03471297233694 0.92208786301814 0.76630345353634 9.012 > 7 8 Be 0.53471297233694 0.92208786301814 0.76630345353634 9.012 > 7 9 Be 0.46528702766306 0.42208786301814 0.73369654646366 9.012 > 9 10 Be 0.96528702766306 0.42208786301814 0.73369654646366 9.012 > 9 11 Be 0.28501332958285 0.69450570251000 0.55501559234622 9.012 > 11 12 Be 0.78501332958285 0.69450570251000 0.55501559234622 9.012 > 11 13 Be 0.28501332958285 0.80549429749000 0.05501559234622 9.012 > 13 14 Be 0.78501332958285 0.80549429749000 0.05501559234622 9.012 > 13 15 Be 0.21498667041715 0.30549429749000 0.44498440765378 9.012 > 15 16 Be 0.71498667041715 0.30549429749000 0.44498440765378 9.012 > 15 17 O 0.37087424083093 0.07771383007852 0.31790878412975 15.999 > 17 18 O 0.87087424083093 0.07771383007852 0.31790878412975 15.999 > 17 19 O 0.37087424083093 0.42228616992148 0.81790878412975 15.999 > 19 20 O 0.87087424083093 0.42228616992148 0.81790878412975 15.999 > 19 21 O 0.12912575916907 0.92228616992148 0.68209121587025 15.999 > 21 22 O 0.62912575916907 0.92228616992148 0.68209121587025 15.999 > 21 23 O 0.12912575916907 0.57771383007852 0.18209121587025 15.999 > 23 24 O 0.62912575916907 0.57771383007852 0.18209121587025 15.999 > 23 25 O 0.11989578665005 0.34751741516855 0.49841177413338 15.999 > 25 26 O 0.61989578665005 0.34751741516855 0.49841177413338 15.999 > 25 27 O 0.38010421334995 0.84751741516855 0.00158822586662 15.999 > 27 28 O 0.88010421334995 0.84751741516855 0.00158822586662 15.999 > 27 29 O 0.38010421334995 0.65248258483145 0.50158822586662 15.999 > 29 30 O 0.88010421334995 0.65248258483145 0.50158822586662 15.999 > 29 31 O 0.11989578665005 0.15248258483145 0.99841177413338 15.999 > 31 32 O 0.61989578665005 0.15248258483145 0.99841177413338 15.999 > 31 33 O 0.46537199817724 0.19169977928070 0.08140897448040 15.999 > 33 34 O 0.96537199817724 0.19169977928070 0.08140897448040 15.999 > 33 35 O 0.03462800182276 0.69169977928070 0.41859102551960 15.999 > 35 36 O 0.53462800182276 0.69169977928070 0.41859102551960 15.999 > 35 37 O 0.03462800182276 0.80830022071930 0.91859102551960 15.999 > 37 38 O 0.53462800182276 0.80830022071930 0.91859102551960 15.999 > 37 39 O 0.46537199817724 0.30830022071930 0.58140897448040 15.999 > 39 40 O 0.96537199817724 0.30830022071930 0.58140897448040 15.999 > 39 41 O 0.25354017288990 0.07534384006819 0.81202026762033 15.999 > 41 42 O 0.75354017288990 0.07534384006819 0.81202026762033 15.999 > 41 43 O 0.24645982711010 0.57534384006819 0.68797973237967 15.999 > 43 44 O 0.74645982711010 0.57534384006819 0.68797973237967 15.999 > 43 45 O 0.24645982711010 0.92465615993181 0.18797973237967 15.999 > 45 46 O 0.74645982711010 0.92465615993181 0.18797973237967 15.999 > 45 47 O 0.25354017288990 0.42465615993181 0.31202026762033 15.999 > 47 48 O 0.75354017288990 0.42465615993181 0.31202026762033 15.999 > 47 49 O 0.49716435966348 0.08850841054825 0.80780435657929 15.999 > 49 50 O 0.99716435966348 0.08850841054825 0.80780435657929 15.999 > 49 51 O 0.00283564033652 0.58850841054825 0.69219564342071 15.999 > 51 52 O 0.50283564033652 0.58850841054825 0.69219564342071 15.999 > 51 53 O 0.00283564033652 0.91149158945175 0.19219564342071 15.999 > 53 54 O 0.50283564033652 0.91149158945175 0.19219564342071 15.999 > 53 55 O 0.49716435966348 0.41149158945175 0.30780435657929 15.999 > 55 56 O 0.99716435966348 0.41149158945175 0.30780435657929 15.999 > 55 57 O 0.21772645746763 0.36751842177054 0.87290669955405 15.999 > 57 58 O 0.71772645746763 0.36751842177054 0.87290669955405 15.999 > 57 59 O 0.28227354253237 0.86751842177054 0.62709330044595 15.999 > 59 60 O 0.78227354253237 0.86751842177054 0.62709330044595 15.999 > 59 61 O 0.28227354253237 0.63248157822946 0.12709330044595 15.999 > 61 62 O 0.78227354253237 0.63248157822946 0.12709330044595 15.999 > 61 63 O 0.21772645746763 0.13248157822946 0.37290669955405 15.999 > 63 64 O 0.71772645746763 0.13248157822946 0.37290669955405 15.999 > 63 65 O 0.02897827618821 0.36409391812634 0.87819306764594 15.999 > 65 66 O 0.52897827618821 0.36409391812634 0.87819306764594 15.999 > 65 67 O 0.47102172381179 0.86409391812634 0.62180693235406 15.999 > 67 68 O 0.97102172381179 0.86409391812634 0.62180693235406 15.999 > 67 69 O 0.47102172381179 0.63590608187366 0.12180693235406 15.999 > 69 70 O 0.97102172381179 0.63590608187366 0.12180693235406 15.999 > 69 71 O 0.02897827618821 0.13590608187366 0.37819306764594 15.999 > 71 72 O 0.52897827618821 0.13590608187366 0.37819306764594 15.999 > 71 73 O 0.28267027318946 0.30629911517140 0.59663062951690 15.999 > 73 74 O 0.78267027318946 0.30629911517140 0.59663062951690 15.999 > 73 75 O 0.21732972681054 0.80629911517140 0.90336937048310 15.999 > 75 76 O 0.71732972681054 0.80629911517140 0.90336937048310 15.999 > 75 77 O 0.21732972681054 0.69370088482860 0.40336937048310 15.999 > 77 78 O 0.71732972681054 0.69370088482860 0.40336937048310 15.999 > 77 79 O 0.28267027318946 0.19370088482860 0.09663062951690 15.999 > 79 80 O 0.78267027318946 0.19370088482860 0.09663062951690 15.999 > 79 81 P 0.03038107048287 0.30248969366327 0.44165995023031 30.974 > 81 82 P 0.53038107048287 0.30248969366327 0.44165995023031 30.974 > 81 83 P 0.46961892951713 0.80248969366327 0.05834004976969 30.974 > 83 84 P 0.96961892951713 0.80248969366327 0.05834004976969 30.974 > 83 85 P 0.46961892951713 0.69751030633673 0.55834004976969 30.974 > 85 86 P 0.96961892951713 0.69751030633673 0.55834004976969 30.974 > 85 87 P 0.03038107048287 0.19751030633673 0.94165995023031 30.974 > 87 88 P 0.53038107048287 0.19751030633673 0.94165995023031 30.974 > 87 89 P 0.28024217069152 0.08180733841164 0.23873611197744 30.974 > 89 90 P 0.78024217069152 0.08180733841164 0.23873611197744 30.974 > 89 91 P 0.21975782930848 0.58180733841164 0.26126388802256 30.974 > 91 92 P 0.71975782930848 0.58180733841164 0.26126388802256 30.974 > 91 93 P 0.21975782930848 0.91819266158836 0.76126388802256 30.974 > 93 94 P 0.71975782930848 0.91819266158836 0.76126388802256 30.974 > 93 95 P 0.28024217069152 0.41819266158836 0.73873611197744 30.974 > 95 96 P 0.78024217069152 0.41819266158836 0.73873611197744 30.974 > 95 97 Ca 0.37803387308066 0.41417640654606 0.11481222686119 40.078 > 97 98 Ca 0.87803387308066 0.41417640654606 0.11481222686119 40.078 > 97 99 Ca 0.12196612691934 0.91417640654606 0.38518777313881 40.078 > 99 100 Ca 0.62196612691934 0.91417640654606 0.38518777313881 40.078 > 99 101 Ca 0.12196612691934 0.58582359345394 0.88518777313881 40.078 > 101 102 Ca 0.62196612691934 0.58582359345394 0.88518777313881 40.078 > 101 103 Ca 0.37803387308066 0.08582359345394 0.61481222686119 40.078 > 103 104 Ca 0.87803387308066 0.08582359345394 0.61481222686119 40.078 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7599692 0.0000000 -0.0028400 0.0000000 2.7707604 0.0000000 -0.0028395 0.0000000 2.7183581 -------------------------- Born effective charges -------------------------- 1 Be 2.0185720 0.2103278 -0.0436633 -0.1976342 1.9742864 0.0464601 0.2304776 -0.0933233 1.9604188 2 Be 1.8804289 0.0847192 -0.1916709 -0.0035962 1.9445988 0.1833668 0.0254480 0.0335772 1.9411891 3 Be 1.8804289 -0.0847192 -0.1916709 0.0035962 1.9445988 -0.1833668 0.0254480 -0.0335772 1.9411891 4 Be 1.8804289 0.0847192 -0.1916709 -0.0035962 1.9445988 0.1833668 0.0254480 0.0335772 1.9411891 5 Be 1.8804289 -0.0847192 -0.1916709 0.0035962 1.9445988 -0.1833668 0.0254480 -0.0335772 1.9411891 6 Be 2.0185720 -0.2103278 -0.0436633 0.1976342 1.9742864 -0.0464601 0.2304776 0.0933233 1.9604188 7 Be 2.0185720 0.2103278 -0.0436633 -0.1976342 1.9742864 0.0464601 0.2304776 -0.0933233 1.9604188 8 Be 2.0185720 -0.2103278 -0.0436633 0.1976342 1.9742864 -0.0464601 0.2304776 0.0933233 1.9604188 9 O -2.3934656 -0.0078201 -0.1887471 -0.0035273 -1.0155576 -0.0260583 -0.2042964 0.0017174 -1.5829596 10 O -2.3934656 0.0078201 -0.1887471 0.0035273 -1.0155576 0.0260583 -0.2042964 -0.0017174 -1.5829596 11 O -2.3934656 -0.0078201 -0.1887471 -0.0035273 -1.0155576 -0.0260583 -0.2042964 0.0017174 -1.5829596 12 O -2.3934656 0.0078201 -0.1887471 0.0035273 -1.0155576 0.0260583 -0.2042964 -0.0017174 -1.5829596 13 O -2.5080269 -0.1020994 -0.0924562 -0.1654255 -1.0865905 -0.0360776 -0.1095190 -0.0598749 -1.1137869 14 O -2.5080269 0.1020994 -0.0924562 0.1654255 -1.0865905 0.0360776 -0.1095190 0.0598749 -1.1137869 15 O -2.5080269 -0.1020994 -0.0924562 -0.1654255 -1.0865905 -0.0360776 -0.1095190 -0.0598749 -1.1137869 16 O -2.5080269 0.1020994 -0.0924562 0.1654255 -1.0865905 0.0360776 -0.1095190 0.0598749 -1.1137869 17 O -1.5261016 0.0813739 0.6074632 0.1215121 -1.4536217 0.2022105 0.6700592 0.2557193 -2.0279425 18 O -1.5261016 -0.0813739 0.6074632 -0.1215121 -1.4536217 -0.2022105 0.6700592 -0.2557193 -2.0279425 19 O -1.5261016 0.0813739 0.6074632 0.1215121 -1.4536217 0.2022105 0.6700592 0.2557193 -2.0279425 20 O -1.5261016 -0.0813739 0.6074632 -0.1215121 -1.4536217 -0.2022105 0.6700592 -0.2557193 -2.0279425 21 O -1.3263001 -0.1870784 0.1772282 -0.2044760 -2.1205104 -0.4654712 0.1580355 -0.4271419 -1.3921952 22 O -1.3263001 0.1870784 0.1772282 0.2044760 -2.1205104 0.4654712 0.1580355 0.4271419 -1.3921952 23 O -1.3263001 -0.1870784 0.1772282 -0.2044760 -2.1205104 -0.4654712 0.1580355 -0.4271419 -1.3921952 24 O -1.3263001 0.1870784 0.1772282 0.2044760 -2.1205104 0.4654712 0.1580355 0.4271419 -1.3921952 25 O -1.3109772 -0.0329449 -0.2997347 -0.0674309 -2.0292186 -0.6168504 -0.3665820 -0.5189844 -1.7275985 26 O -1.3109772 0.0329449 -0.2997347 0.0674309 -2.0292186 0.6168504 -0.3665820 0.5189844 -1.7275985 27 O -1.3109772 -0.0329449 -0.2997347 -0.0674309 -2.0292186 -0.6168504 -0.3665820 -0.5189844 -1.7275985 28 O -1.3109772 0.0329449 -0.2997347 0.0674309 -2.0292186 0.6168504 -0.3665820 0.5189844 -1.7275985 29 O -1.5487359 -0.1427746 0.4712385 -0.0255175 -1.7323649 0.3560845 0.4317635 0.3615377 -1.6458064 30 O -1.5487359 0.1427746 0.4712385 0.0255175 -1.7323649 -0.3560845 0.4317635 -0.3615377 -1.6458064 31 O -1.5487359 -0.1427746 0.4712385 -0.0255175 -1.7323649 0.3560845 0.4317635 0.3615377 -1.6458064 32 O -1.5487359 0.1427746 0.4712385 0.0255175 -1.7323649 -0.3560845 0.4317635 -0.3615377 -1.6458064 33 O -1.3827852 0.0398832 -0.1927386 0.0345366 -2.2813809 0.4844966 -0.2012886 0.4980717 -1.4802544 34 O -1.3827852 -0.0398832 -0.1927386 -0.0345366 -2.2813809 -0.4844966 -0.2012886 -0.4980717 -1.4802544 35 O -1.3827852 0.0398832 -0.1927386 0.0345366 -2.2813809 0.4844966 -0.2012886 0.4980717 -1.4802544 36 O -1.3827852 -0.0398832 -0.1927386 -0.0345366 -2.2813809 -0.4844966 -0.2012886 -0.4980717 -1.4802544 37 O -1.3305054 0.1280708 -0.2637011 0.1351692 -1.6505762 -0.4433806 -0.3246655 -0.5630310 -2.0013904 38 O -1.3305054 -0.1280708 -0.2637011 -0.1351692 -1.6505762 0.4433806 -0.3246655 0.5630310 -2.0013904 39 O -1.3305054 0.1280708 -0.2637011 0.1351692 -1.6505762 -0.4433806 -0.3246655 -0.5630310 -2.0013904 40 O -1.3305054 -0.1280708 -0.2637011 -0.1351692 -1.6505762 0.4433806 -0.3246655 0.5630310 -2.0013904 41 P 3.3787412 0.1172461 -0.0434204 0.0036041 3.5468577 -0.0426541 -0.2451446 0.0893603 3.3724918 42 P 3.3787412 -0.1172461 -0.0434204 -0.0036041 3.5468577 0.0426541 -0.2451446 -0.0893603 3.3724918 43 P 3.3787412 0.1172461 -0.0434204 0.0036041 3.5468577 -0.0426541 -0.2451446 0.0893603 3.3724918 44 P 3.3787412 -0.1172461 -0.0434204 -0.0036041 3.5468577 0.0426541 -0.2451446 -0.0893603 3.3724918 45 P 3.3974965 -0.0216844 -0.0035856 0.1185131 3.2688024 0.0601355 -0.0283233 -0.0581021 3.3527777 46 P 3.3974965 0.0216844 -0.0035856 -0.1185131 3.2688024 -0.0601355 -0.0283233 0.0581021 3.3527777 47 P 3.3974965 -0.0216844 -0.0035856 0.1185131 3.2688024 0.0601355 -0.0283233 -0.0581021 3.3527777 48 P 3.3974965 0.0216844 -0.0035856 -0.1185131 3.2688024 -0.0601355 -0.0283233 0.0581021 3.3527777 49 Ca 2.6516593 -0.0764664 0.0637880 -0.0634447 2.6352754 0.1418818 -0.0359643 0.1583710 2.3450565 50 Ca 2.6516593 0.0764664 0.0637880 0.0634447 2.6352754 -0.1418818 -0.0359643 -0.1583710 2.3450565 51 Ca 2.6516593 -0.0764664 0.0637880 -0.0634447 2.6352754 0.1418818 -0.0359643 0.1583710 2.3450565 52 Ca 2.6516593 0.0764664 0.0637880 0.0634447 2.6352754 -0.1418818 -0.0359643 -0.1583710 2.3450565 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 6 ] 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: 0.50, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 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 2.733 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.405 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.038 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.469 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 0.000) 0.000 7.790 ( 0.000 0.000 0.000) 0.000 7.875 ( 0.000 0.000 0.000) 0.000 8.208 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.351 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 8.853 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.623 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 9.999 ( 0.000 0.000 0.000) 0.000 10.309 ( 0.000 0.000 0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 10.890 ( 0.000 0.000 0.000) 0.000 11.241 ( 0.000 0.000 0.000) 0.000 11.506 ( 0.000 0.000 0.000) 0.000 11.745 ( 0.000 0.000 0.000) 0.000 11.865 ( 0.000 0.000 0.000) 0.000 12.047 ( 0.000 0.000 0.000) 0.000 12.385 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 12.832 ( 0.000 0.000 0.000) 0.000 13.311 ( 0.000 0.000 0.000) 0.000 13.601 ( 0.000 0.000 0.000) 0.000 13.601 ( 0.000 0.000 0.000) 0.000 13.922 ( 0.000 0.000 0.000) 0.000 14.074 ( 0.000 0.000 0.000) 0.000 14.228 ( 0.000 0.000 0.000) 0.000 14.262 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 14.486 ( 0.000 0.000 0.000) 0.000 14.583 ( 0.000 0.000 0.000) 0.000 14.892 ( 0.000 0.000 0.000) 0.000 15.005 ( 0.000 0.000 0.000) 0.000 15.138 ( 0.000 0.000 0.000) 0.000 15.295 ( 0.000 0.000 0.000) 0.000 15.460 ( 0.000 0.000 0.000) 0.000 15.462 ( 0.000 0.000 0.000) 0.000 15.467 ( 0.000 0.000 0.000) 0.000 15.851 ( 0.000 0.000 0.000) 0.000 16.049 ( 0.000 0.000 0.000) 0.000 16.292 ( 0.000 0.000 0.000) 0.000 16.305 ( 0.000 0.000 0.000) 0.000 16.572 ( 0.000 0.000 0.000) 0.000 16.605 ( 0.000 0.000 0.000) 0.000 16.842 ( 0.000 0.000 0.000) 0.000 17.008 ( 0.000 0.000 0.000) 0.000 17.009 ( 0.000 0.000 0.000) 0.000 17.065 ( 0.000 0.000 0.000) 0.000 17.490 ( 0.000 0.000 0.000) 0.000 17.650 ( 0.000 0.000 0.000) 0.000 18.264 ( 0.000 0.000 0.000) 0.000 18.408 ( 0.000 0.000 0.000) 0.000 19.323 ( 0.000 0.000 0.000) 0.000 20.412 ( 0.000 0.000 0.000) 0.000 20.943 ( 0.000 0.000 0.000) 0.000 21.112 ( 0.000 0.000 0.000) 0.000 21.114 ( 0.000 0.000 0.000) 0.000 21.358 ( 0.000 0.000 0.000) 0.000 21.578 ( 0.000 0.000 0.000) 0.000 21.590 ( 0.000 0.000 0.000) 0.000 22.134 ( 0.000 0.000 0.000) 0.000 22.298 ( 0.000 0.000 0.000) 0.000 22.546 ( 0.000 0.000 0.000) 0.000 22.559 ( 0.000 0.000 0.000) 0.000 22.719 ( 0.000 0.000 0.000) 0.000 22.721 ( 0.000 0.000 0.000) 0.000 22.955 ( 0.000 0.000 0.000) 0.000 23.166 ( 0.000 0.000 0.000) 0.000 23.439 ( 0.000 0.000 0.000) 0.000 23.494 ( 0.000 0.000 0.000) 0.000 23.608 ( 0.000 0.000 0.000) 0.000 23.613 ( 0.000 0.000 0.000) 0.000 24.280 ( 0.000 0.000 0.000) 0.000 24.486 ( 0.000 0.000 0.000) 0.000 24.784 ( 0.000 0.000 0.000) 0.000 25.217 ( 0.000 0.000 0.000) 0.000 25.745 ( 0.000 0.000 0.000) 0.000 28.977 ( 0.000 0.000 0.000) 0.000 29.245 ( 0.000 0.000 0.000) 0.000 29.387 ( 0.000 0.000 0.000) 0.000 29.463 ( 0.000 0.000 0.000) 0.000 29.767 ( 0.000 0.000 0.000) 0.000 29.811 ( 0.000 0.000 0.000) 0.000 29.843 ( 0.000 0.000 0.000) 0.000 29.954 ( 0.000 0.000 0.000) 0.000 29.966 ( 0.000 0.000 0.000) 0.000 30.067 ( 0.000 0.000 0.000) 0.000 30.137 ( 0.000 0.000 0.000) 0.000 30.189 ( 0.000 0.000 0.000) 0.000 30.252 ( 0.000 0.000 0.000) 0.000 30.444 ( 0.000 0.000 0.000) 0.000 30.448 ( 0.000 0.000 0.000) 0.000 30.537 ( 0.000 0.000 0.000) 0.000 30.830 ( 0.000 0.000 0.000) 0.000 31.128 ( 0.000 0.000 0.000) 0.000 31.160 ( 0.000 0.000 0.000) 0.000 31.163 ( 0.000 0.000 0.000) 0.000 31.700 ( 0.000 0.000 0.000) 0.000 31.772 ( 0.000 0.000 0.000) 0.000 32.047 ( 0.000 0.000 0.000) 0.000 32.382 ( 0.000 0.000 0.000) 0.000 32.658 ( 0.000 0.000 0.000) 0.000 32.672 ( 0.000 0.000 0.000) 0.000 33.189 ( 0.000 0.000 0.000) 0.000 33.643 ( 0.000 0.000 0.000) 0.000 33.923 ( 0.000 0.000 0.000) 0.000 34.230 ( 0.000 0.000 0.000) 0.000 34.420 ( 0.000 0.000 0.000) 0.000 34.447 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 38.752 0.000 14.257) 41.291 0.922 ( 42.950 0.000 -5.060) 43.247 1.602 ( 71.011 0.000 -1.475) 71.026 2.765 ( -3.277 0.000 -9.107) 9.678 3.129 ( 16.301 0.000 10.087) 19.170 3.340 ( 11.988 0.000 -4.326) 12.745 3.518 ( -3.521 0.000 0.951) 3.647 3.626 ( -5.840 0.000 2.784) 6.470 3.735 ( -10.462 0.000 -7.077) 12.631 3.832 ( 0.525 0.000 1.120) 1.237 4.000 ( -12.753 0.000 -0.449) 12.761 4.123 ( -6.874 0.000 7.422) 10.117 4.303 ( 7.038 0.000 1.656) 7.230 4.374 ( -9.928 0.000 2.187) 10.166 4.693 ( -10.165 0.000 -3.361) 10.706 4.711 ( 1.706 0.000 -1.421) 2.220 4.746 ( -2.516 0.000 5.148) 5.730 4.896 ( -2.161 0.000 -9.409) 9.654 4.925 ( 0.631 0.000 2.088) 2.181 4.998 ( 1.141 0.000 -6.417) 6.517 5.120 ( -13.039 0.000 -4.416) 13.767 5.349 ( 5.644 0.000 -1.181) 5.766 5.444 ( -9.925 0.000 -1.584) 10.051 5.508 ( 0.530 0.000 0.339) 0.629 5.655 ( -7.470 0.000 4.373) 8.655 5.765 ( 8.154 0.000 -3.339) 8.811 5.830 ( -5.128 0.000 -3.031) 5.956 5.888 ( 7.849 0.000 3.273) 8.504 6.154 ( 3.821 0.000 4.090) 5.597 6.275 ( 12.038 0.000 -2.297) 12.255 6.308 ( 9.274 0.000 -7.954) 12.218 6.321 ( 10.046 0.000 14.320) 17.492 6.454 ( 8.351 0.000 4.124) 9.313 6.581 ( -2.407 0.000 6.316) 6.759 6.923 ( -5.689 0.000 -0.451) 5.707 7.066 ( 2.388 0.000 -0.223) 2.398 7.079 ( -27.837 0.000 -4.852) 28.257 7.253 ( -16.827 0.000 3.938) 17.282 7.375 ( -7.494 0.000 1.436) 7.631 7.432 ( -2.885 0.000 3.799) 4.770 7.480 ( -1.350 0.000 2.415) 2.767 7.787 ( -3.694 0.000 -5.050) 6.257 7.979 ( 1.148 0.000 0.377) 1.208 7.993 ( 16.476 0.000 -7.513) 18.108 8.142 ( 1.787 0.000 -1.974) 2.663 8.210 ( -12.242 0.000 -1.626) 12.350 8.388 ( 7.569 0.000 -2.833) 8.082 8.639 ( 13.048 0.000 -6.323) 14.499 8.750 ( -13.256 0.000 -2.751) 13.539 8.834 ( 10.859 0.000 6.565) 12.690 9.022 ( 2.922 0.000 -7.645) 8.184 9.307 ( -6.124 0.000 11.492) 13.022 9.402 ( -2.587 0.000 -4.517) 5.205 9.574 ( -1.860 0.000 0.221) 1.873 9.973 ( -3.125 0.000 3.016) 4.343 10.082 ( 5.926 0.000 4.027) 7.165 10.255 ( -7.981 0.000 13.291) 15.503 10.433 ( 10.939 0.000 -0.489) 10.950 10.779 ( -0.469 0.000 -16.924) 16.931 10.897 ( 1.004 0.000 -3.081) 3.240 11.237 ( 0.614 0.000 0.181) 0.640 11.634 ( 9.940 0.000 -2.658) 10.290 11.687 ( -5.585 0.000 4.731) 7.319 11.818 ( -2.135 0.000 8.480) 8.745 12.138 ( 6.473 0.000 -6.298) 9.031 12.372 ( -1.190 0.000 -0.514) 1.296 12.593 ( -5.243 0.000 0.747) 5.296 12.855 ( 1.721 0.000 -2.685) 3.189 13.396 ( 7.299 0.000 3.530) 8.107 13.530 ( -2.918 0.000 -2.734) 3.999 13.692 ( 4.724 0.000 -5.190) 7.018 13.958 ( 2.621 0.000 2.967) 3.959 14.012 ( -5.020 0.000 3.385) 6.055 14.227 ( 0.614 0.000 4.308) 4.352 14.277 ( 1.490 0.000 0.363) 1.533 14.484 ( -0.090 0.000 -0.824) 0.829 14.646 ( 8.752 0.000 -6.855) 11.117 14.726 ( -0.154 0.000 -3.466) 3.470 14.961 ( 4.580 0.000 0.496) 4.607 15.016 ( -8.598 0.000 -2.700) 9.011 15.063 ( 1.417 0.000 -5.550) 5.728 15.283 ( -4.791 0.000 4.039) 6.266 15.457 ( -1.387 0.000 2.898) 3.213 15.497 ( 4.112 0.000 0.446) 4.136 15.770 ( -6.618 0.000 -0.232) 6.622 15.871 ( 1.355 0.000 18.617) 18.666 16.047 ( -0.863 0.000 1.644) 1.857 16.248 ( -5.868 0.000 -5.762) 8.224 16.275 ( -0.791 0.000 1.111) 1.364 16.538 ( -6.680 0.000 2.018) 6.978 16.705 ( 10.985 0.000 -2.802) 11.337 16.724 ( -10.393 0.000 2.269) 10.638 16.865 ( -8.430 0.000 -2.181) 8.708 17.180 ( 5.955 0.000 -8.366) 10.269 17.230 ( -7.454 0.000 -2.557) 7.880 17.409 ( -6.589 0.000 5.032) 8.291 17.724 ( 5.111 0.000 -4.239) 6.640 18.262 ( -11.982 0.000 3.276) 12.421 18.465 ( 14.719 0.000 1.202) 14.768 19.380 ( 3.497 0.000 -5.001) 6.102 20.437 ( 1.670 0.000 -8.226) 8.394 20.926 ( -1.678 0.000 -1.475) 2.234 21.140 ( 2.254 0.000 1.151) 2.531 21.223 ( 9.219 0.000 2.357) 9.516 21.334 ( 2.225 0.000 5.593) 6.019 21.721 ( 0.491 0.000 11.227) 11.238 21.754 ( 11.648 0.000 -0.448) 11.656 22.105 ( -2.568 0.000 -1.245) 2.854 22.296 ( -0.690 0.000 -0.220) 0.724 22.502 ( -3.926 0.000 1.032) 4.060 22.590 ( 2.560 0.000 -2.281) 3.429 22.783 ( 5.465 0.000 -0.435) 5.483 22.905 ( -1.367 0.000 -1.997) 2.420 23.053 ( -3.840 0.000 -1.135) 4.004 23.417 ( -1.635 0.000 -0.262) 1.656 23.484 ( -1.227 0.000 -1.280) 1.773 23.587 ( -1.428 0.000 -1.807) 2.303 23.668 ( 5.046 0.000 0.295) 5.054 24.076 ( -9.043 0.000 3.920) 9.856 24.487 ( 0.201 0.000 -1.587) 1.600 24.613 ( 14.323 0.000 31.885) 34.955 24.747 ( -3.106 0.000 -3.882) 4.971 25.151 ( -5.975 0.000 5.628) 8.208 25.711 ( -6.540 0.000 -10.025) 11.970 28.972 ( -0.503 0.000 0.167) 0.530 29.250 ( 0.459 0.000 -4.510) 4.533 29.350 ( -2.077 0.000 5.021) 5.434 29.575 ( 6.373 0.000 -8.531) 10.649 29.721 ( -4.000 0.000 -2.613) 4.778 29.809 ( -0.287 0.000 0.532) 0.605 29.874 ( -1.057 0.000 0.873) 1.371 29.983 ( 1.069 0.000 -1.094) 1.530 29.984 ( 2.046 0.000 2.066) 2.908 30.079 ( 1.509 0.000 -1.965) 2.477 30.152 ( -3.180 0.000 2.564) 4.085 30.174 ( -4.887 0.000 3.250) 5.869 30.363 ( -3.894 0.000 0.307) 3.906 30.525 ( 4.586 0.000 -13.130) 13.908 30.535 ( -0.228 0.000 -0.800) 0.832 30.865 ( 3.044 0.000 0.096) 3.045 30.870 ( 0.063 0.000 -8.709) 8.709 31.097 ( -4.667 0.000 -1.912) 5.043 31.113 ( -1.530 0.000 -1.067) 1.866 31.346 ( -1.549 0.000 -17.190) 17.260 31.818 ( 10.117 0.000 -11.019) 14.958 32.058 ( -0.655 0.000 2.093) 2.193 32.255 ( -6.908 0.000 -2.945) 7.510 32.600 ( -5.968 0.000 -0.431) 5.984 32.754 ( -2.803 0.000 24.807) 24.965 32.795 ( 8.888 0.000 -3.073) 9.404 33.200 ( 0.418 0.000 9.055) 9.065 33.503 ( -18.777 0.000 -3.573) 19.114 33.897 ( -0.964 0.000 -2.050) 2.266 34.330 ( 7.323 0.000 -2.121) 7.624 34.718 ( 20.325 0.000 -2.817) 20.520 35.941 ( -4.934 0.000 10.435) 11.543 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 32.893 0.000 12.885) 35.327 1.831 ( 41.902 0.000 -5.079) 42.209 2.584 ( -7.713 0.000 -10.738) 13.222 2.846 ( 29.318 0.000 2.543) 29.428 3.406 ( -17.221 0.000 3.368) 17.548 3.450 ( -6.037 0.000 -2.547) 6.552 3.462 ( -8.732 0.000 -1.706) 8.897 3.597 ( -12.839 0.000 7.540) 14.890 3.640 ( 25.286 0.000 -0.164) 25.287 3.705 ( 16.336 0.000 4.590) 16.969 3.914 ( 14.219 0.000 -0.611) 14.232 3.950 ( -3.808 0.000 4.892) 6.200 4.260 ( -6.846 0.000 10.663) 12.671 4.401 ( -11.572 0.000 -13.033) 17.429 4.522 ( 13.110 0.000 0.742) 13.131 4.624 ( -6.466 0.000 5.666) 8.597 4.764 ( -12.080 0.000 -7.439) 14.187 4.820 ( 6.440 0.000 -6.390) 9.073 4.871 ( -1.861 0.000 3.147) 3.656 4.909 ( -0.728 0.000 -5.130) 5.182 5.129 ( 2.516 0.000 -4.718) 5.347 5.292 ( 3.340 0.000 -3.823) 5.077 5.387 ( -9.823 0.000 -5.574) 11.294 5.488 ( -9.206 0.000 6.100) 11.043 5.610 ( 6.441 0.000 6.421) 9.094 5.756 ( 5.563 0.000 1.087) 5.668 5.870 ( 2.715 0.000 -9.262) 9.651 6.024 ( -0.785 0.000 9.314) 9.347 6.034 ( -29.277 0.000 -1.235) 29.303 6.305 ( -9.962 0.000 6.949) 12.146 6.513 ( 1.585 0.000 -6.934) 7.113 6.526 ( 10.986 0.000 -5.707) 12.380 6.601 ( 7.113 0.000 12.161) 14.088 6.607 ( 3.577 0.000 0.483) 3.610 6.747 ( 12.750 0.000 -2.937) 13.083 6.864 ( -7.704 0.000 3.448) 8.440 6.888 ( -3.041 0.000 2.052) 3.669 7.081 ( -1.211 0.000 -1.573) 1.985 7.249 ( -4.707 0.000 3.283) 5.739 7.378 ( -2.478 0.000 1.461) 2.877 7.483 ( 0.761 0.000 -0.240) 0.798 7.647 ( -9.415 0.000 -2.663) 9.785 7.875 ( -16.951 0.000 -4.924) 17.652 8.002 ( -4.357 0.000 -3.619) 5.664 8.007 ( 2.114 0.000 1.621) 2.664 8.263 ( -12.832 0.000 -1.792) 12.957 8.537 ( 20.364 0.000 -5.505) 21.095 8.643 ( 1.267 0.000 4.356) 4.537 8.827 ( 4.622 0.000 -11.170) 12.088 8.980 ( -0.263 0.000 8.006) 8.011 9.151 ( 10.579 0.000 1.365) 10.667 9.322 ( 0.672 0.000 5.229) 5.272 9.357 ( 1.832 0.000 -4.919) 5.249 9.630 ( 6.611 0.000 -6.582) 9.329 9.840 ( -6.060 0.000 3.177) 6.842 10.052 ( -9.376 0.000 16.540) 19.013 10.200 ( 2.457 0.000 0.627) 2.536 10.573 ( 1.363 0.000 1.091) 1.746 10.709 ( -4.130 0.000 -13.103) 13.739 10.952 ( 3.464 0.000 -2.894) 4.514 11.293 ( 4.146 0.000 -1.884) 4.554 11.533 ( -7.721 0.000 7.706) 10.908 11.802 ( -0.008 0.000 4.335) 4.335 11.892 ( 12.645 0.000 -2.262) 12.846 12.286 ( 7.130 0.000 -4.088) 8.218 12.332 ( -2.871 0.000 -0.898) 3.008 12.468 ( -5.497 0.000 1.280) 5.644 12.864 ( -1.705 0.000 -2.370) 2.919 13.486 ( -1.108 0.000 -3.036) 3.232 13.574 ( 7.681 0.000 5.028) 9.180 13.792 ( 4.190 0.000 -4.246) 5.965 13.922 ( -1.965 0.000 1.904) 2.736 14.020 ( 2.542 0.000 2.323) 3.444 14.256 ( 1.577 0.000 3.400) 3.748 14.323 ( 2.398 0.000 0.672) 2.490 14.488 ( 0.764 0.000 -1.101) 1.341 14.700 ( -2.256 0.000 -2.669) 3.495 14.792 ( 5.494 0.000 -1.867) 5.802 14.822 ( -8.598 0.000 -0.423) 8.608 15.083 ( 1.843 0.000 -2.727) 3.292 15.121 ( -8.330 0.000 -0.001) 8.330 15.137 ( 5.989 0.000 -3.050) 6.721 15.489 ( 7.854 0.000 5.593) 9.642 15.551 ( -3.387 0.000 0.178) 3.391 15.644 ( -0.824 0.000 2.366) 2.506 15.931 ( 0.630 0.000 3.706) 3.759 15.960 ( -5.488 0.000 1.470) 5.682 16.157 ( -0.077 0.000 2.676) 2.678 16.297 ( -15.200 0.000 2.560) 15.414 16.306 ( 4.280 0.000 1.434) 4.514 16.474 ( -11.232 0.000 -1.121) 11.288 16.672 ( -9.369 0.000 -4.665) 10.466 16.963 ( 11.132 0.000 -2.808) 11.481 17.122 ( -2.616 0.000 -3.308) 4.218 17.226 ( -4.890 0.000 -1.571) 5.136 17.354 ( 6.688 0.000 -3.585) 7.589 17.840 ( 4.773 0.000 -0.253) 4.780 17.960 ( -15.324 0.000 6.504) 16.647 18.757 ( 10.700 0.000 1.071) 10.753 19.417 ( 0.133 0.000 -4.612) 4.614 20.482 ( 2.354 0.000 -5.540) 6.019 20.889 ( -1.293 0.000 0.067) 1.295 21.186 ( 1.459 0.000 0.933) 1.731 21.448 ( 10.191 0.000 1.257) 10.268 21.476 ( 8.859 0.000 4.256) 9.829 21.742 ( 1.370 0.000 7.876) 7.994 21.977 ( 7.750 0.000 1.178) 7.839 22.037 ( -3.354 0.000 -2.690) 4.299 22.261 ( -2.075 0.000 -1.014) 2.310 22.390 ( -5.862 0.000 2.004) 6.195 22.638 ( 1.293 0.000 -3.431) 3.667 22.861 ( -0.473 0.000 5.814) 5.834 22.933 ( 1.898 0.000 -10.292) 10.466 22.972 ( 0.847 0.000 4.293) 4.376 23.384 ( -1.238 0.000 0.070) 1.240 23.419 ( -4.736 0.000 -0.741) 4.793 23.578 ( 0.706 0.000 -2.462) 2.561 23.814 ( 7.695 0.000 0.624) 7.721 23.924 ( -5.155 0.000 -0.079) 5.155 24.485 ( -1.118 0.000 -1.981) 2.275 24.683 ( -1.379 0.000 -7.623) 7.746 24.928 ( 14.455 0.000 19.275) 24.093 24.988 ( -8.404 0.000 9.192) 12.455 25.517 ( -10.951 0.000 -10.005) 14.834 28.960 ( -0.515 0.000 0.135) 0.532 29.262 ( 0.744 0.000 -6.534) 6.576 29.315 ( -1.329 0.000 6.684) 6.814 29.668 ( -1.002 0.000 -1.837) 2.093 29.707 ( 4.937 0.000 -3.987) 6.346 29.805 ( -0.043 0.000 0.507) 0.509 29.832 ( -2.034 0.000 -0.429) 2.079 29.989 ( 0.075 0.000 -1.946) 1.947 29.992 ( -1.051 0.000 0.913) 1.392 30.047 ( -3.988 0.000 0.601) 4.033 30.113 ( -1.119 0.000 2.806) 3.021 30.159 ( 3.246 0.000 1.933) 3.778 30.276 ( -3.601 0.000 2.149) 4.193 30.527 ( -0.417 0.000 -1.042) 1.122 30.611 ( 3.454 0.000 -9.552) 10.157 30.856 ( -1.201 0.000 0.239) 1.224 30.942 ( 3.497 0.000 0.238) 3.505 31.009 ( -2.915 0.000 -1.579) 3.315 31.066 ( -2.377 0.000 -0.580) 2.447 31.319 ( -0.777 0.000 -2.098) 2.237 31.963 ( -6.070 0.000 -0.810) 6.124 32.088 ( 14.390 0.000 -11.265) 18.275 32.210 ( 1.825 0.000 0.187) 1.835 32.444 ( -7.865 0.000 -0.638) 7.891 32.650 ( -7.990 0.000 16.081) 17.957 32.976 ( 7.581 0.000 -5.929) 9.625 33.148 ( -12.386 0.000 -3.389) 12.841 33.190 ( -1.724 0.000 11.089) 11.222 33.902 ( 1.114 0.000 -2.099) 2.377 34.476 ( 5.402 0.000 -1.728) 5.672 35.147 ( 18.822 0.000 -3.396) 19.126 35.787 ( -9.589 0.000 5.570) 11.089 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.000 0.000 0.000) 0.000 2.245 ( -0.000 0.000 -0.000) 0.000 2.699 ( -0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 -0.000) 0.000 3.134 ( 0.000 0.000 -0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 -0.000) 0.000 3.510 ( 0.000 0.000 -0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 -0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 -0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 -0.000) 0.000 4.592 ( 0.000 0.000 -0.000) 0.000 4.616 ( -0.000 0.000 -0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 -0.000) 0.000 4.897 ( 0.000 0.000 -0.000) 0.000 5.066 ( 0.000 0.000 -0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 -0.000) 0.000 5.334 ( -0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 -0.000) 0.000 5.639 ( -0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 -0.000) 0.000 5.996 ( 0.000 0.000 -0.000) 0.000 6.159 ( -0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 -0.000) 0.000 6.631 ( 0.000 0.000 -0.000) 0.000 6.729 ( 0.000 0.000 -0.000) 0.000 6.740 ( -0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 -0.000) 0.000 7.109 ( 0.000 0.000 -0.000) 0.000 7.191 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 -0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 -0.000) 0.000 7.937 ( 0.000 0.000 -0.000) 0.000 8.075 ( 0.000 0.000 0.000) 0.000 8.082 ( 0.000 0.000 -0.000) 0.000 8.655 ( 0.000 0.000 -0.000) 0.000 8.793 ( 0.000 0.000 -0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.297 ( 0.000 0.000 0.000) 0.000 9.300 ( 0.000 0.000 -0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 0.000 -0.000) 0.000 9.774 ( 0.000 0.000 -0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 10.205 ( 0.000 0.000 -0.000) 0.000 10.571 ( 0.000 0.000 -0.000) 0.000 10.665 ( 0.000 0.000 -0.000) 0.000 10.994 ( 0.000 0.000 -0.000) 0.000 11.388 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.803 ( 0.000 0.000 -0.000) 0.000 12.080 ( 0.000 0.000 -0.000) 0.000 12.258 ( 0.000 0.000 0.000) 0.000 12.388 ( 0.000 0.000 -0.000) 0.000 12.406 ( 0.000 0.000 -0.000) 0.000 12.817 ( 0.000 0.000 0.000) 0.000 13.476 ( 0.000 0.000 0.000) 0.000 13.665 ( 0.000 0.000 -0.000) 0.000 13.842 ( 0.000 0.000 -0.000) 0.000 13.919 ( 0.000 0.000 0.000) 0.000 14.049 ( 0.000 0.000 0.000) 0.000 14.275 ( 0.000 0.000 -0.000) 0.000 14.352 ( 0.000 0.000 -0.000) 0.000 14.508 ( 0.000 0.000 0.000) 0.000 14.667 ( 0.000 0.000 -0.000) 0.000 14.711 ( 0.000 0.000 -0.000) 0.000 14.926 ( 0.000 0.000 0.000) 0.000 14.967 ( -0.000 0.000 -0.000) 0.000 15.013 ( 0.000 0.000 -0.000) 0.000 15.282 ( 0.000 0.000 -0.000) 0.000 15.474 ( 0.000 0.000 0.000) 0.000 15.663 ( 0.000 0.000 -0.000) 0.000 15.674 ( 0.000 0.000 -0.000) 0.000 15.812 ( 0.000 0.000 0.000) 0.000 15.984 ( 0.000 0.000 -0.000) 0.000 16.046 ( 0.000 0.000 -0.000) 0.000 16.231 ( -0.000 0.000 -0.000) 0.000 16.283 ( 0.000 0.000 0.000) 0.000 16.421 ( 0.000 0.000 0.000) 0.000 16.504 ( 0.000 0.000 -0.000) 0.000 17.097 ( 0.000 0.000 0.000) 0.000 17.113 ( 0.000 0.000 -0.000) 0.000 17.137 ( 0.000 0.000 0.000) 0.000 17.529 ( -0.000 0.000 0.000) 0.000 17.697 ( 0.000 0.000 -0.000) 0.000 17.895 ( 0.000 0.000 -0.000) 0.000 18.877 ( 0.000 0.000 -0.000) 0.000 19.412 ( 0.000 0.000 0.000) 0.000 20.513 ( 0.000 0.000 -0.000) 0.000 20.875 ( 0.000 0.000 -0.000) 0.000 21.198 ( 0.000 0.000 0.000) 0.000 21.583 ( 0.000 0.000 -0.000) 0.000 21.591 ( 0.000 0.000 0.000) 0.000 21.767 ( 0.000 0.000 -0.000) 0.000 21.990 ( 0.000 0.000 0.000) 0.000 22.053 ( 0.000 0.000 0.000) 0.000 22.234 ( 0.000 0.000 -0.000) 0.000 22.315 ( 0.000 0.000 0.000) 0.000 22.647 ( 0.000 0.000 -0.000) 0.000 22.869 ( -0.000 0.000 -0.000) 0.000 22.881 ( 0.000 0.000 0.000) 0.000 23.062 ( 0.000 0.000 0.000) 0.000 23.341 ( 0.000 0.000 0.000) 0.000 23.370 ( 0.000 0.000 -0.000) 0.000 23.592 ( 0.000 0.000 -0.000) 0.000 23.865 ( 0.000 0.000 -0.000) 0.000 23.920 ( 0.000 0.000 0.000) 0.000 24.451 ( 0.000 0.000 0.000) 0.000 24.696 ( 0.000 0.000 0.000) 0.000 24.867 ( 0.000 0.000 -0.000) 0.000 25.186 ( -0.000 0.000 -0.000) 0.000 25.296 ( 0.000 0.000 0.000) 0.000 28.954 ( 0.000 0.000 -0.000) 0.000 29.273 ( 0.000 0.000 0.000) 0.000 29.298 ( 0.000 0.000 -0.000) 0.000 29.662 ( 0.000 0.000 0.000) 0.000 29.756 ( 0.000 0.000 0.000) 0.000 29.806 ( 0.000 0.000 0.000) 0.000 29.808 ( 0.000 0.000 -0.000) 0.000 29.963 ( 0.000 0.000 -0.000) 0.000 30.008 ( 0.000 0.000 0.000) 0.000 30.011 ( 0.000 0.000 0.000) 0.000 30.087 ( 0.000 0.000 -0.000) 0.000 30.200 ( 0.000 0.000 -0.000) 0.000 30.237 ( 0.000 0.000 -0.000) 0.000 30.521 ( 0.000 0.000 0.000) 0.000 30.653 ( 0.000 0.000 -0.000) 0.000 30.837 ( 0.000 0.000 0.000) 0.000 30.973 ( 0.000 0.000 -0.000) 0.000 30.990 ( 0.000 0.000 -0.000) 0.000 31.036 ( 0.000 0.000 -0.000) 0.000 31.310 ( 0.000 0.000 -0.000) 0.000 31.889 ( 0.000 0.000 -0.000) 0.000 32.282 ( 0.000 0.000 0.000) 0.000 32.303 ( -0.000 0.000 -0.000) 0.000 32.367 ( 0.000 0.000 -0.000) 0.000 32.438 ( 0.000 0.000 -0.000) 0.000 33.016 ( 0.000 0.000 -0.000) 0.000 33.086 ( 0.000 0.000 0.000) 0.000 33.144 ( 0.000 0.000 0.000) 0.000 33.918 ( 0.000 0.000 -0.000) 0.000 34.536 ( 0.000 0.000 0.000) 0.000 35.454 ( 0.000 0.000 -0.000) 0.000 35.581 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 42.438 0.000) 42.438 0.958 ( 0.000 49.855 0.000) 49.855 1.554 ( 0.000 78.555 0.000) 78.555 2.896 ( 0.000 16.338 0.000) 16.338 2.948 ( 0.000 1.889 0.000) 1.889 3.284 ( 0.000 4.336 0.000) 4.336 3.548 ( 0.000 -2.674 0.000) 2.674 3.745 ( 0.000 5.240 0.000) 5.240 3.855 ( 0.000 1.596 0.000) 1.596 3.866 ( 0.000 1.367 0.000) 1.367 4.021 ( 0.000 -6.338 0.000) 6.338 4.153 ( 0.000 -5.201 0.000) 5.201 4.251 ( 0.000 1.254 0.000) 1.254 4.346 ( 0.000 -20.021 0.000) 20.021 4.575 ( 0.000 -6.693 0.000) 6.693 4.702 ( 0.000 0.432 0.000) 0.432 4.810 ( 0.000 -5.841 0.000) 5.841 4.848 ( 0.000 2.804 0.000) 2.804 4.882 ( 0.000 0.795 0.000) 0.795 5.112 ( 0.000 -0.352 0.000) 0.352 5.209 ( 0.000 -4.929 0.000) 4.929 5.289 ( 0.000 -4.600 0.000) 4.600 5.341 ( 0.000 -11.915 0.000) 11.915 5.525 ( 0.000 -4.811 0.000) 4.811 5.669 ( 0.000 2.054 0.000) 2.054 5.683 ( 0.000 9.797 0.000) 9.797 5.831 ( 0.000 1.010 0.000) 1.010 5.851 ( 0.000 -2.027 0.000) 2.027 5.909 ( 0.000 3.391 0.000) 3.391 6.130 ( 0.000 -10.368 0.000) 10.368 6.221 ( 0.000 1.195 0.000) 1.195 6.260 ( 0.000 10.972 0.000) 10.972 6.463 ( 0.000 16.967 0.000) 16.967 6.759 ( 0.000 2.111 0.000) 2.111 6.945 ( 0.000 -7.344 0.000) 7.344 7.190 ( 0.000 -17.029 0.000) 17.029 7.239 ( 0.000 2.455 0.000) 2.455 7.325 ( 0.000 -6.684 0.000) 6.684 7.514 ( 0.000 -0.348 0.000) 0.348 7.528 ( 0.000 -3.427 0.000) 3.427 7.555 ( 0.000 8.657 0.000) 8.657 7.736 ( 0.000 -1.511 0.000) 1.511 7.771 ( 0.000 -2.247 0.000) 2.247 7.821 ( 0.000 -3.180 0.000) 3.180 8.118 ( 0.000 -12.209 0.000) 12.209 8.205 ( 0.000 -9.452 0.000) 9.452 8.275 ( 0.000 -0.522 0.000) 0.522 8.468 ( 0.000 6.878 0.000) 6.878 8.739 ( 0.000 3.883 0.000) 3.883 8.923 ( 0.000 2.151 0.000) 2.151 9.211 ( 0.000 16.405 0.000) 16.405 9.369 ( 0.000 -5.450 0.000) 5.450 9.572 ( 0.000 2.050 0.000) 2.050 9.749 ( 0.000 1.448 0.000) 1.448 9.849 ( 0.000 -1.576 0.000) 1.576 10.074 ( 0.000 7.275 0.000) 7.275 10.343 ( 0.000 3.397 0.000) 3.397 10.461 ( 0.000 7.795 0.000) 7.795 10.661 ( 0.000 -7.751 0.000) 7.751 10.942 ( 0.000 4.188 0.000) 4.188 11.295 ( 0.000 4.742 0.000) 4.742 11.495 ( 0.000 0.496 0.000) 0.496 11.676 ( 0.000 -7.142 0.000) 7.142 11.913 ( 0.000 2.940 0.000) 2.940 12.030 ( 0.000 -3.414 0.000) 3.414 12.366 ( 0.000 -2.533 0.000) 2.533 12.652 ( 0.000 -0.390 0.000) 0.390 12.784 ( 0.000 -4.386 0.000) 4.386 13.250 ( 0.000 -5.459 0.000) 5.459 13.515 ( 0.000 -9.109 0.000) 9.109 13.651 ( 0.000 4.282 0.000) 4.282 13.829 ( 0.000 -4.615 0.000) 4.615 14.168 ( 0.000 6.402 0.000) 6.402 14.222 ( 0.000 -0.206 0.000) 0.206 14.431 ( 0.000 -1.500 0.000) 1.500 14.600 ( 0.000 3.989 0.000) 3.989 14.612 ( 0.000 13.531 0.000) 13.531 14.662 ( 0.000 6.190 0.000) 6.190 14.835 ( 0.000 -5.809 0.000) 5.809 15.018 ( 0.000 2.217 0.000) 2.217 15.137 ( 0.000 0.047 0.000) 0.047 15.286 ( 0.000 -0.568 0.000) 0.568 15.437 ( 0.000 -2.404 0.000) 2.404 15.450 ( 0.000 -0.900 0.000) 0.900 15.562 ( 0.000 -1.862 0.000) 1.862 15.845 ( 0.000 -0.530 0.000) 0.530 16.018 ( 0.000 -3.974 0.000) 3.974 16.330 ( 0.000 1.463 0.000) 1.463 16.432 ( 0.000 -14.053 0.000) 14.053 16.457 ( 0.000 -11.237 0.000) 11.237 16.783 ( 0.000 -11.870 0.000) 11.870 16.817 ( 0.000 -2.491 0.000) 2.491 16.895 ( 0.000 7.871 0.000) 7.871 17.199 ( 0.000 1.603 0.000) 1.603 17.240 ( 0.000 3.391 0.000) 3.391 17.513 ( 0.000 6.326 0.000) 6.326 17.656 ( 0.000 1.285 0.000) 1.285 18.310 ( 0.000 3.919 0.000) 3.919 18.433 ( 0.000 2.329 0.000) 2.329 19.224 ( 0.000 -14.048 0.000) 14.048 20.440 ( 0.000 2.750 0.000) 2.750 20.907 ( 0.000 -12.393 0.000) 12.393 21.128 ( 0.000 1.923 0.000) 1.923 21.571 ( 0.000 11.138 0.000) 11.138 21.633 ( 0.000 5.613 0.000) 5.613 21.667 ( 0.000 7.344 0.000) 7.344 21.760 ( 0.000 -4.431 0.000) 4.431 22.235 ( 0.000 1.426 0.000) 1.426 22.269 ( 0.000 2.108 0.000) 2.108 22.487 ( 0.000 -4.978 0.000) 4.978 22.666 ( 0.000 -2.777 0.000) 2.777 22.813 ( 0.000 6.436 0.000) 6.436 22.840 ( 0.000 5.144 0.000) 5.144 22.967 ( 0.000 1.043 0.000) 1.043 23.176 ( 0.000 1.518 0.000) 1.518 23.443 ( 0.000 -6.806 0.000) 6.806 23.559 ( 0.000 5.346 0.000) 5.346 23.593 ( 0.000 -1.872 0.000) 1.872 23.781 ( 0.000 9.639 0.000) 9.639 24.294 ( 0.000 1.796 0.000) 1.796 24.468 ( 0.000 -2.072 0.000) 2.072 24.738 ( 0.000 -4.669 0.000) 4.669 25.537 ( 0.000 -0.004 0.000) 0.004 25.716 ( 0.000 -2.896 0.000) 2.896 29.221 ( 0.000 -1.956 0.000) 1.956 29.431 ( 0.000 4.748 0.000) 4.748 29.482 ( 0.000 1.525 0.000) 1.525 29.670 ( 0.000 -7.940 0.000) 7.940 29.750 ( 0.000 0.754 0.000) 0.754 29.813 ( 0.000 -1.052 0.000) 1.052 29.915 ( 0.000 -2.502 0.000) 2.502 29.945 ( 0.000 -0.758 0.000) 0.758 30.029 ( 0.000 0.831 0.000) 0.831 30.066 ( 0.000 -0.076 0.000) 0.076 30.135 ( 0.000 -0.225 0.000) 0.225 30.237 ( 0.000 -1.880 0.000) 1.880 30.472 ( 0.000 2.278 0.000) 2.278 30.495 ( 0.000 4.907 0.000) 4.907 30.521 ( 0.000 7.149 0.000) 7.149 30.791 ( 0.000 -4.823 0.000) 4.823 30.814 ( 0.000 -1.668 0.000) 1.668 31.142 ( 0.000 -2.300 0.000) 2.300 31.221 ( 0.000 8.424 0.000) 8.424 31.637 ( 0.000 7.042 0.000) 7.042 31.740 ( 0.000 4.429 0.000) 4.429 31.795 ( 0.000 1.666 0.000) 1.666 32.015 ( 0.000 -3.163 0.000) 3.163 32.359 ( 0.000 -2.204 0.000) 2.204 32.638 ( 0.000 -2.100 0.000) 2.100 33.040 ( 0.000 -13.685 0.000) 13.685 33.689 ( 0.000 3.452 0.000) 3.452 33.808 ( 0.000 -0.799 0.000) 0.799 34.246 ( 0.000 1.565 0.000) 1.565 34.408 ( 0.000 -1.230 0.000) 1.230 34.461 ( 0.000 1.500 0.000) 1.500 34.779 ( 0.000 -3.623 0.000) 3.623 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 24.060 35.177 12.527) 44.421 1.420 ( 35.527 32.285 1.467) 48.027 2.102 ( 46.342 50.248 -5.663) 68.590 2.921 ( -0.780 16.605 -9.399) 19.097 3.132 ( 11.998 0.887 9.957) 15.616 3.329 ( 7.223 -1.192 -3.579) 8.149 3.495 ( -3.816 -4.568 0.898) 6.019 3.711 ( 0.793 7.879 0.574) 7.940 3.763 ( -7.447 2.604 -4.359) 9.013 3.866 ( 0.025 2.907 2.338) 3.731 4.030 ( -10.032 -3.281 -3.017) 10.977 4.113 ( 3.097 0.203 7.977) 8.560 4.222 ( -7.793 -8.070 1.677) 11.343 4.257 ( 0.854 -6.695 2.832) 7.319 4.581 ( 0.043 -0.826 -1.037) 1.326 4.751 ( 2.177 -3.539 -2.871) 5.051 4.757 ( -5.598 -4.316 3.272) 7.789 4.795 ( -4.537 4.058 -0.341) 6.096 4.964 ( 2.958 0.306 -9.061) 9.536 5.008 ( -5.195 2.372 -1.823) 5.995 5.233 ( -3.656 -8.729 -1.274) 9.549 5.269 ( 4.621 -4.729 -0.404) 6.625 5.359 ( -8.136 2.851 -2.762) 9.053 5.508 ( -9.883 1.582 0.170) 10.010 5.591 ( 10.004 -15.483 1.915) 18.533 5.752 ( -5.996 -0.677 3.158) 6.811 5.807 ( -2.625 -5.928 2.180) 6.840 5.881 ( 12.684 -0.947 -2.472) 12.957 5.963 ( 0.412 2.705 7.334) 7.828 6.104 ( 0.247 -9.246 -10.239) 13.798 6.278 ( 13.373 -2.394 9.397) 16.519 6.414 ( 10.126 2.842 0.618) 10.535 6.523 ( 3.620 11.396 -0.898) 11.991 6.662 ( -4.473 0.941 7.918) 9.143 6.940 ( -10.146 -9.044 -3.926) 14.147 7.097 ( -3.918 4.153 -7.734) 9.613 7.181 ( -16.878 -3.401 9.303) 19.570 7.192 ( -16.780 7.956 -5.388) 19.337 7.271 ( 1.706 -11.041 -0.784) 11.199 7.399 ( -4.436 2.770 0.815) 5.293 7.600 ( -1.264 4.492 7.041) 8.447 7.711 ( -1.168 -3.859 -7.985) 8.945 7.933 ( 1.334 -5.431 0.950) 5.673 7.940 ( 7.421 -2.959 -4.099) 8.979 8.123 ( 3.232 -2.228 -0.615) 3.974 8.231 ( -0.321 -0.167 3.795) 3.812 8.306 ( 5.477 -6.213 -3.421) 8.960 8.494 ( 4.042 -6.311 -9.811) 12.346 8.773 ( -8.644 -3.692 -1.974) 9.604 8.898 ( 7.453 6.386 2.181) 10.054 9.191 ( -0.688 13.728 -1.672) 13.847 9.279 ( -4.360 -5.586 7.584) 10.379 9.489 ( 0.026 10.076 -1.402) 10.173 9.615 ( -6.343 3.126 2.095) 7.375 9.915 ( -2.776 -4.139 4.127) 6.470 10.183 ( 7.745 7.639 2.300) 11.119 10.344 ( -7.254 9.250 12.230) 16.963 10.460 ( 8.466 2.857 0.952) 8.986 10.676 ( -0.532 -7.400 -14.544) 16.327 10.953 ( 1.349 4.050 -4.565) 6.249 11.295 ( 0.264 4.695 0.966) 4.801 11.573 ( 3.980 -3.631 2.318) 5.865 11.640 ( -0.974 -4.540 1.400) 4.850 11.898 ( 0.300 5.529 3.460) 6.529 12.110 ( 5.772 -3.954 -4.717) 8.438 12.358 ( -0.678 -1.871 -1.061) 2.255 12.588 ( -5.082 -0.089 0.056) 5.083 12.804 ( 1.391 -4.963 -1.906) 5.495 13.301 ( 4.322 -7.106 1.677) 8.485 13.497 ( -1.675 -7.437 0.043) 7.624 13.683 ( 3.645 2.384 -4.804) 6.484 13.867 ( 2.765 -3.332 3.457) 5.541 14.128 ( -0.957 6.356 0.674) 6.462 14.283 ( 2.006 4.230 4.257) 6.328 14.434 ( -3.223 11.386 1.274) 11.902 14.454 ( 1.043 -1.288 -1.694) 2.370 14.718 ( 4.195 3.964 -4.080) 7.068 14.741 ( 3.458 4.571 -5.293) 7.802 14.869 ( -0.200 -4.641 0.043) 4.646 15.020 ( 3.118 -0.765 -1.700) 3.633 15.087 ( -3.958 1.865 -1.614) 4.663 15.310 ( -3.599 0.736 2.917) 4.691 15.369 ( -0.100 -5.673 0.415) 5.689 15.516 ( -2.848 -0.314 2.252) 3.644 15.718 ( 12.544 -6.168 5.000) 14.845 15.766 ( -4.196 -2.368 0.540) 4.848 16.034 ( 0.337 -1.677 1.762) 2.455 16.256 ( -6.397 0.156 0.984) 6.474 16.359 ( -7.972 -3.611 9.963) 13.261 16.555 ( -2.426 -2.646 -6.309) 7.259 16.577 ( 3.093 -6.740 -0.509) 7.434 16.710 ( -9.604 -0.097 -1.291) 9.690 16.869 ( -4.820 -5.094 -6.384) 9.483 17.027 ( -0.898 3.145 -2.975) 4.421 17.222 ( -6.994 -6.290 -6.647) 11.518 17.517 ( -4.331 9.293 8.119) 13.078 17.688 ( 2.444 -3.900 -2.106) 5.062 18.226 ( -11.991 -2.434 4.791) 13.140 18.536 ( 14.121 6.565 0.219) 15.573 19.302 ( 5.558 -9.157 -4.918) 11.787 20.461 ( 1.867 2.592 -4.854) 5.811 20.903 ( -0.740 -7.153 1.524) 7.351 21.236 ( 9.159 1.773 2.070) 9.556 21.349 ( -2.521 10.198 0.075) 10.505 21.499 ( -5.352 17.563 0.061) 18.360 21.765 ( 1.440 4.835 10.090) 11.281 21.874 ( 10.001 8.516 2.211) 13.320 22.145 ( -4.295 6.353 -2.093) 7.948 22.268 ( -0.203 -3.550 -0.528) 3.594 22.535 ( 2.155 -2.815 2.195) 4.169 22.553 ( -2.597 2.725 -4.654) 5.986 22.833 ( 4.892 5.155 -0.305) 7.114 22.908 ( -0.388 0.461 -0.320) 0.682 23.107 ( -3.391 4.956 0.084) 6.005 23.235 ( 0.922 -11.231 2.239) 11.489 23.521 ( -1.645 2.020 -1.857) 3.199 23.617 ( 5.693 -5.847 0.016) 8.161 23.730 ( 2.807 2.859 -5.620) 6.902 23.860 ( 8.645 -10.064 11.784) 17.745 24.340 ( 9.771 -5.662 6.865) 13.216 24.479 ( 1.342 -1.455 -1.380) 2.413 24.702 ( -3.098 -4.718 -2.068) 6.011 25.331 ( -12.623 6.598 6.536) 15.672 25.655 ( -6.318 -4.493 -6.090) 9.858 29.139 ( -6.646 3.307 0.481) 7.439 29.372 ( -2.655 2.309 4.922) 6.050 29.431 ( -9.362 16.500 2.385) 19.120 29.602 ( 6.377 2.175 -6.592) 9.426 29.650 ( -2.457 -6.207 -3.121) 7.369 29.798 ( -1.513 -1.813 -0.591) 2.434 29.877 ( -1.549 0.406 1.867) 2.460 29.944 ( -0.016 -3.045 1.996) 3.640 30.002 ( 1.164 1.728 -0.565) 2.159 30.071 ( 0.022 -0.545 -1.113) 1.240 30.142 ( -2.253 -0.062 1.866) 2.926 30.193 ( -1.741 1.082 0.380) 2.085 30.398 ( -4.094 3.324 -0.985) 5.365 30.534 ( 2.108 1.012 -5.663) 6.127 30.569 ( 2.017 4.097 -7.159) 8.491 30.734 ( -0.505 -6.673 -0.577) 6.717 30.881 ( 2.187 -2.750 -1.907) 3.998 31.015 ( -3.419 0.069 -1.196) 3.622 31.340 ( 1.064 8.598 -3.693) 9.418 31.470 ( -6.583 14.629 -9.503) 18.646 31.792 ( 7.716 -2.855 -9.190) 12.334 32.041 ( 2.594 -1.428 2.913) 4.153 32.214 ( 9.765 -9.390 10.629) 17.219 32.260 ( -2.555 -4.250 3.478) 6.057 32.742 ( 7.536 -4.114 -6.090) 10.526 33.015 ( -3.152 -13.414 7.015) 15.463 33.244 ( -24.936 18.882 5.048) 31.684 33.551 ( -15.368 2.789 -0.344) 15.623 33.966 ( -4.505 5.928 -2.843) 7.970 34.305 ( 5.884 -2.562 -2.330) 6.827 34.742 ( 19.976 2.591 -2.010) 20.243 35.579 ( 16.959 -25.164 7.861) 31.347 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 28.131 20.687 12.301) 37.022 2.167 ( 34.373 27.834 -2.364) 44.292 2.737 ( -5.425 15.079 -10.099) 18.942 2.996 ( 11.214 13.396 3.616) 17.841 3.306 ( -7.622 -7.898 1.461) 11.073 3.395 ( 12.477 0.619 -4.444) 13.259 3.565 ( -10.883 8.047 0.124) 13.536 3.609 ( -6.251 5.617 6.467) 10.604 3.810 ( 3.251 -0.104 1.354) 3.523 3.900 ( 9.273 15.297 1.814) 17.980 3.911 ( 10.860 8.703 2.680) 14.172 4.046 ( 10.895 8.447 3.715) 14.278 4.221 ( 2.091 -3.799 4.439) 6.205 4.320 ( 2.270 -8.921 -8.703) 12.668 4.467 ( -6.254 -1.203 3.637) 7.334 4.676 ( -0.237 3.834 0.348) 3.857 4.735 ( -4.263 -1.014 -1.958) 4.800 4.753 ( -6.453 -4.355 -2.088) 8.060 4.841 ( 2.991 2.164 -5.934) 6.989 5.027 ( -5.489 3.960 -6.649) 9.488 5.156 ( 4.465 -0.692 -7.212) 8.510 5.200 ( -7.197 -3.587 4.915) 9.424 5.393 ( -1.525 -1.429 -2.311) 3.116 5.462 ( 4.446 -6.200 2.357) 7.985 5.588 ( -2.781 -0.956 4.525) 5.397 5.632 ( -3.786 -10.265 2.391) 11.199 5.805 ( 4.355 -4.314 -0.591) 6.158 5.970 ( -7.041 -7.083 1.158) 10.054 6.021 ( -3.933 -7.013 0.424) 8.052 6.188 ( -6.517 -0.377 2.125) 6.865 6.406 ( -5.136 -5.341 -7.362) 10.446 6.495 ( -4.865 -6.660 3.251) 8.865 6.583 ( 5.662 -0.195 3.317) 6.565 6.657 ( 2.395 -2.717 0.893) 3.731 6.712 ( 9.452 1.180 3.141) 10.030 6.870 ( -4.558 -2.669 3.497) 6.335 7.021 ( -2.551 7.649 -0.949) 8.119 7.031 ( -2.542 1.955 -3.042) 4.420 7.286 ( -3.190 0.204 -2.131) 3.842 7.373 ( 2.407 0.630 1.260) 2.789 7.558 ( -1.861 6.787 2.289) 7.401 7.669 ( -2.401 -1.473 -4.856) 5.614 7.831 ( -9.910 -2.002 2.354) 10.380 7.911 ( -9.069 -3.817 -5.767) 11.405 8.004 ( -4.605 -3.899 0.990) 6.114 8.254 ( -5.397 -11.308 1.650) 12.638 8.364 ( 0.703 -1.604 -1.994) 2.654 8.703 ( 14.385 -1.131 -7.773) 16.390 8.786 ( 10.323 -1.607 -5.472) 11.793 9.059 ( 0.075 -1.606 -2.207) 2.731 9.139 ( 2.776 6.741 10.267) 12.592 9.251 ( -1.982 -4.386 2.402) 5.379 9.467 ( -2.171 7.558 2.827) 8.356 9.635 ( 6.065 0.805 -4.819) 7.788 9.814 ( -4.396 -1.510 2.349) 5.208 10.181 ( -5.816 13.926 12.703) 19.727 10.335 ( 3.861 11.653 -0.178) 12.277 10.561 ( -0.044 -6.377 -1.676) 6.593 10.631 ( -1.748 -0.306 -5.734) 6.002 11.006 ( 2.872 3.487 -5.471) 7.095 11.322 ( 2.043 1.445 0.525) 2.557 11.503 ( -5.056 -2.326 4.125) 6.927 11.752 ( 4.999 -2.869 3.943) 6.984 11.961 ( 5.559 4.138 -2.368) 7.323 12.234 ( 4.848 -5.267 -0.864) 7.210 12.341 ( -0.666 0.288 -3.559) 3.632 12.476 ( -4.081 1.351 0.434) 4.321 12.814 ( -1.197 -4.904 -1.513) 5.269 13.391 ( 2.657 -8.080 -0.519) 8.522 13.468 ( -0.000 -9.247 1.529) 9.373 13.800 ( 6.574 1.827 -2.598) 7.301 13.921 ( 1.659 -0.222 3.309) 3.709 14.132 ( 0.950 8.580 -0.534) 8.648 14.305 ( 0.294 3.945 4.359) 5.887 14.389 ( -0.804 3.342 -0.139) 3.440 14.518 ( 4.334 6.050 0.615) 7.467 14.716 ( -4.858 1.651 -3.942) 6.471 14.800 ( 3.155 1.750 -1.452) 3.889 14.835 ( -2.766 0.526 -2.067) 3.493 15.049 ( -1.276 -3.118 -0.528) 3.410 15.082 ( -1.876 -2.163 -5.624) 6.311 15.197 ( 0.412 3.506 1.624) 3.886 15.427 ( 0.586 -10.867 4.789) 11.890 15.515 ( 6.871 1.927 2.947) 7.720 15.620 ( -5.016 0.287 0.581) 5.058 15.935 ( -0.705 -1.032 0.356) 1.300 15.994 ( -0.840 1.409 1.174) 2.018 16.143 ( -1.008 -2.068 4.500) 5.054 16.226 ( -5.261 -2.045 4.215) 7.045 16.394 ( -5.598 2.250 -1.543) 6.227 16.468 ( -9.617 1.526 0.030) 9.737 16.709 ( -6.392 1.374 -1.739) 6.765 16.841 ( 8.025 -13.533 -4.225) 16.291 17.007 ( -1.463 -4.322 -2.533) 5.219 17.119 ( -1.035 -9.291 -7.613) 12.056 17.424 ( -1.009 5.087 1.144) 5.311 17.759 ( 2.963 -7.066 -0.760) 7.700 17.913 ( -15.673 -4.433 7.724) 18.026 18.835 ( 11.167 7.097 0.370) 13.236 19.396 ( 2.791 -3.217 -4.354) 6.091 20.509 ( 2.344 2.754 -4.169) 5.520 20.884 ( -0.713 -1.812 1.024) 2.201 21.395 ( 1.703 14.907 2.715) 15.247 21.466 ( 8.710 1.630 2.372) 9.173 21.481 ( 6.275 4.980 -1.254) 8.108 21.792 ( 1.429 4.610 9.469) 10.628 22.023 ( -2.484 0.128 -5.093) 5.667 22.090 ( 4.476 9.700 3.193) 11.150 22.238 ( -2.312 -2.726 -1.013) 3.715 22.448 ( -4.221 5.933 1.189) 7.378 22.627 ( 2.991 -0.740 -3.518) 4.676 22.878 ( -0.499 1.850 6.651) 6.922 22.978 ( 3.967 3.951 -7.283) 9.187 23.013 ( -1.848 3.894 1.796) 4.670 23.211 ( -2.101 -8.611 0.117) 8.864 23.474 ( -2.858 2.138 -1.299) 3.798 23.704 ( 2.492 0.960 -2.863) 3.915 23.800 ( 5.758 0.627 -1.589) 6.006 23.865 ( -3.854 -1.242 3.338) 5.248 24.487 ( -0.309 0.171 -2.031) 2.061 24.643 ( 0.445 -5.796 -3.993) 7.052 24.679 ( 13.309 -13.614 11.181) 22.079 25.092 ( -8.717 2.888 8.152) 12.280 25.464 ( -10.630 -4.701 -7.341) 13.747 29.029 ( -3.107 4.891 -0.050) 5.794 29.324 ( -1.459 2.333 -2.501) 3.718 29.347 ( -1.393 6.682 3.506) 7.674 29.610 ( -0.976 -5.714 -1.568) 6.005 29.732 ( 4.435 1.924 -2.945) 5.661 29.780 ( -0.194 -2.138 -0.391) 2.182 29.829 ( -2.035 -0.121 0.103) 2.041 29.934 ( -0.485 -3.437 1.212) 3.676 30.020 ( -0.460 -0.196 -0.150) 0.522 30.044 ( -2.949 -3.387 1.547) 4.750 30.092 ( -0.106 4.906 0.346) 4.919 30.208 ( 1.996 2.467 -0.940) 3.310 30.305 ( -3.878 3.171 2.906) 5.791 30.559 ( 0.312 3.072 -1.078) 3.270 30.628 ( 3.486 0.337 -10.605) 11.168 30.725 ( -0.803 -6.722 2.273) 7.141 30.926 ( 0.871 -3.082 -1.372) 3.484 30.965 ( -0.661 -0.026 0.387) 0.766 31.319 ( -2.183 15.632 0.260) 15.786 31.378 ( -1.952 7.236 -2.070) 7.775 31.873 ( -1.848 -7.294 -3.608) 8.345 32.148 ( 6.369 3.520 -7.804) 10.670 32.209 ( 5.565 0.274 2.123) 5.963 32.347 ( -0.432 -4.843 5.991) 7.716 32.799 ( -14.762 9.275 7.765) 19.085 32.914 ( 7.312 -6.234 -6.776) 11.758 32.964 ( -4.465 -11.732 2.157) 12.737 33.267 ( -10.300 2.077 5.551) 11.884 33.944 ( 0.778 4.150 -2.386) 4.849 34.436 ( 5.100 -4.055 -1.753) 6.747 35.153 ( 17.538 0.787 -2.723) 17.765 35.671 ( -3.908 -10.614 4.943) 12.343 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 0.000 12.889 0.000) 12.889 2.391 ( -0.000 16.943 -0.000) 16.943 2.938 ( 0.000 17.268 -0.000) 17.268 2.963 ( -0.000 23.059 0.000) 23.059 3.108 ( 0.000 1.865 -0.000) 1.865 3.196 ( 0.000 -5.593 -0.000) 5.593 3.472 ( 0.000 4.385 0.000) 4.385 3.547 ( 0.000 2.287 -0.000) 2.287 3.925 ( 0.000 0.861 0.000) 0.861 3.967 ( 0.000 5.396 -0.000) 5.396 4.101 ( 0.000 14.547 0.000) 14.547 4.131 ( -0.000 1.944 -0.000) 1.944 4.274 ( 0.000 -0.183 0.000) 0.183 4.503 ( 0.000 -2.891 -0.000) 2.891 4.557 ( 0.000 -1.976 -0.000) 1.976 4.699 ( -0.000 -1.590 -0.000) 1.590 4.715 ( -0.000 0.873 -0.000) 0.873 4.737 ( 0.000 -0.556 0.000) 0.556 4.958 ( 0.000 1.770 -0.000) 1.770 5.050 ( 0.000 3.204 0.000) 3.204 5.145 ( 0.000 -5.041 0.000) 5.041 5.159 ( 0.000 0.655 -0.000) 0.655 5.206 ( 0.000 3.926 -0.000) 3.926 5.329 ( 0.000 1.961 0.000) 1.961 5.514 ( 0.000 2.861 -0.000) 2.861 5.620 ( 0.000 -8.045 0.000) 8.045 5.759 ( 0.000 0.627 -0.000) 0.627 5.830 ( 0.000 -13.704 -0.000) 13.704 5.944 ( 0.000 -2.286 -0.000) 2.286 6.123 ( 0.000 -3.562 0.000) 3.562 6.357 ( 0.000 -15.532 0.000) 15.532 6.481 ( 0.000 -8.973 -0.000) 8.973 6.618 ( 0.000 -1.088 0.000) 1.088 6.739 ( 0.000 -1.116 -0.000) 1.116 6.833 ( 0.000 -0.961 -0.000) 0.961 6.889 ( 0.000 -3.907 -0.000) 3.907 6.979 ( 0.000 2.027 0.000) 2.027 7.089 ( 0.000 -1.082 -0.000) 1.082 7.257 ( 0.000 -0.823 -0.000) 0.823 7.354 ( 0.000 8.615 -0.000) 8.615 7.506 ( 0.000 2.807 0.000) 2.807 7.646 ( 0.000 11.128 -0.000) 11.128 7.647 ( -0.000 1.981 0.000) 1.981 7.816 ( 0.000 -9.657 -0.000) 9.657 7.988 ( 0.000 -7.654 -0.000) 7.654 8.155 ( 0.000 -7.489 -0.000) 7.489 8.370 ( 0.000 -6.500 -0.000) 6.500 8.896 ( 0.000 3.133 -0.000) 3.133 8.923 ( 0.000 7.991 0.000) 7.991 9.009 ( 0.000 -5.891 -0.000) 5.891 9.189 ( 0.000 -8.272 -0.000) 8.272 9.275 ( 0.000 -4.490 0.000) 4.490 9.406 ( 0.000 5.553 -0.000) 5.553 9.739 ( 0.000 -1.560 -0.000) 1.560 9.750 ( -0.000 -0.051 0.000) 0.051 10.107 ( 0.000 19.380 0.000) 19.380 10.366 ( 0.000 13.710 -0.000) 13.710 10.550 ( 0.000 -10.146 -0.000) 10.146 10.614 ( 0.000 4.126 -0.000) 4.126 11.038 ( 0.000 3.035 -0.000) 3.035 11.352 ( 0.000 -4.853 0.000) 4.853 11.440 ( 0.000 4.627 0.000) 4.627 11.801 ( 0.000 -0.165 0.000) 0.165 12.054 ( 0.000 -3.962 -0.000) 3.962 12.277 ( 0.000 1.832 0.000) 1.832 12.316 ( 0.000 -4.745 -0.000) 4.745 12.465 ( 0.000 4.002 -0.000) 4.002 12.775 ( 0.000 -4.001 0.000) 4.001 13.407 ( 0.000 -6.285 0.000) 6.285 13.487 ( 0.000 -12.609 -0.000) 12.609 13.907 ( -0.000 2.669 0.000) 2.669 13.920 ( 0.000 0.310 -0.000) 0.310 14.148 ( 0.000 8.841 0.000) 8.841 14.302 ( 0.000 0.434 -0.000) 0.434 14.389 ( 0.000 4.194 -0.000) 4.194 14.589 ( 0.000 9.287 0.000) 9.287 14.643 ( 0.000 -0.633 0.000) 0.633 14.758 ( 0.000 2.503 0.000) 2.503 14.932 ( 0.000 0.620 0.000) 0.620 14.972 ( -0.000 -0.025 0.000) 0.025 14.977 ( -0.000 -3.334 -0.000) 3.334 15.281 ( 0.000 -0.259 -0.000) 0.259 15.416 ( 0.000 -8.954 0.000) 8.954 15.572 ( 0.000 -1.584 0.000) 1.584 15.673 ( 0.000 -0.586 -0.000) 0.586 15.830 ( 0.000 1.909 0.000) 1.909 16.016 ( 0.000 0.780 -0.000) 0.780 16.097 ( 0.000 4.911 0.000) 4.911 16.173 ( 0.000 -5.866 -0.000) 5.866 16.306 ( 0.000 2.271 0.000) 2.271 16.433 ( 0.000 1.065 0.000) 1.065 16.588 ( 0.000 7.026 -0.000) 7.026 16.897 ( 0.000 -15.860 0.000) 15.860 17.039 ( 0.000 -12.483 -0.000) 12.483 17.100 ( 0.000 -1.132 0.000) 1.132 17.524 ( -0.000 -0.458 0.000) 0.458 17.622 ( 0.000 -5.634 -0.000) 5.634 17.804 ( 0.000 -8.039 0.000) 8.039 18.960 ( 0.000 7.399 -0.000) 7.399 19.423 ( 0.000 -0.334 -0.000) 0.334 20.538 ( 0.000 2.691 -0.000) 2.691 20.877 ( 0.000 -0.678 -0.000) 0.678 21.401 ( 0.000 18.259 -0.000) 18.259 21.557 ( 0.000 -2.395 -0.000) 2.395 21.610 ( 0.000 1.588 0.000) 1.588 21.818 ( 0.000 6.615 -0.000) 6.615 21.962 ( 0.000 -2.559 0.000) 2.559 22.151 ( 0.000 9.114 0.000) 9.114 22.201 ( 0.000 -3.281 -0.000) 3.281 22.405 ( 0.000 8.423 0.000) 8.423 22.653 ( 0.000 0.691 -0.000) 0.691 22.901 ( -0.000 2.876 -0.000) 2.876 22.910 ( 0.000 2.722 0.000) 2.722 23.109 ( 0.000 5.057 0.000) 5.057 23.162 ( 0.000 -9.725 0.000) 9.725 23.430 ( 0.000 1.671 -0.000) 1.671 23.754 ( -0.000 9.873 0.000) 9.873 23.786 ( 0.000 -7.342 -0.000) 7.342 23.892 ( 0.000 -0.730 -0.000) 0.730 24.456 ( 0.000 0.165 0.000) 0.165 24.705 ( 0.000 0.410 0.000) 0.410 24.773 ( 0.000 -8.942 -0.000) 8.942 25.065 ( 0.000 -10.362 -0.000) 10.362 25.284 ( 0.000 -1.842 0.000) 1.842 28.997 ( 0.000 3.887 0.000) 3.887 29.310 ( 0.000 1.216 0.000) 1.216 29.333 ( 0.000 5.330 -0.000) 5.330 29.602 ( 0.000 -5.848 -0.000) 5.848 29.768 ( 0.000 0.042 -0.000) 0.042 29.780 ( 0.000 -2.414 0.000) 2.414 29.814 ( 0.000 1.514 -0.000) 1.514 29.925 ( 0.000 -2.381 -0.000) 2.381 30.008 ( 0.000 -0.430 -0.000) 0.430 30.016 ( 0.000 -5.809 0.000) 5.809 30.095 ( 0.000 7.562 -0.000) 7.562 30.245 ( -0.000 1.064 0.000) 1.064 30.251 ( 0.000 4.074 -0.000) 4.074 30.560 ( 0.000 3.530 0.000) 3.530 30.691 ( 0.000 3.869 -0.000) 3.869 30.696 ( 0.000 -9.570 -0.000) 9.570 30.913 ( 0.000 -2.405 -0.000) 2.405 30.979 ( 0.000 -1.478 -0.000) 1.478 31.289 ( 0.000 17.275 -0.000) 17.275 31.361 ( 0.000 5.003 -0.000) 5.003 31.833 ( 0.000 -5.579 -0.000) 5.579 32.208 ( 0.000 -4.733 -0.000) 4.733 32.297 ( 0.000 0.241 0.000) 0.241 32.446 ( 0.000 5.233 -0.000) 5.233 32.522 ( 0.000 7.544 -0.000) 7.544 32.895 ( 0.000 -10.125 -0.000) 10.125 33.076 ( -0.000 -6.805 0.000) 6.805 33.099 ( 0.000 -0.971 -0.000) 0.971 33.957 ( 0.000 4.038 -0.000) 4.038 34.494 ( 0.000 -4.391 0.000) 4.391 35.430 ( 0.000 -2.244 -0.000) 2.244 35.536 ( -0.000 -4.218 0.000) 4.218 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.000 40.222 0.000) 40.222 1.875 ( 0.000 46.270 0.000) 46.270 2.755 ( 0.000 19.104 0.000) 19.104 2.890 ( 0.000 1.982 0.000) 1.982 3.281 ( 0.000 20.273 0.000) 20.273 3.375 ( 0.000 8.205 0.000) 8.205 3.485 ( 0.000 -1.566 0.000) 1.566 3.718 ( 0.000 -9.054 0.000) 9.054 3.891 ( 0.000 4.073 0.000) 4.073 3.917 ( 0.000 9.812 0.000) 9.812 3.933 ( 0.000 -8.169 0.000) 8.169 3.979 ( 0.000 0.163 0.000) 0.163 4.148 ( 0.000 6.342 0.000) 6.342 4.417 ( 0.000 -9.428 0.000) 9.428 4.486 ( 0.000 12.108 0.000) 12.108 4.670 ( 0.000 -10.957 0.000) 10.957 4.688 ( 0.000 -6.561 0.000) 6.561 4.798 ( 0.000 -2.942 0.000) 2.942 4.866 ( 0.000 -3.198 0.000) 3.198 4.871 ( 0.000 -9.050 0.000) 9.050 5.118 ( 0.000 -11.078 0.000) 11.078 5.235 ( 0.000 5.268 0.000) 5.268 5.426 ( 0.000 -8.110 0.000) 8.110 5.493 ( 0.000 14.689 0.000) 14.689 5.494 ( 0.000 -23.612 0.000) 23.612 5.641 ( 0.000 1.652 0.000) 1.652 5.735 ( 0.000 -5.810 0.000) 5.810 5.849 ( 0.000 0.654 0.000) 0.654 5.959 ( 0.000 -7.140 0.000) 7.140 6.177 ( 0.000 -6.502 0.000) 6.502 6.273 ( 0.000 21.676 0.000) 21.676 6.463 ( 0.000 7.647 0.000) 7.647 6.743 ( 0.000 11.190 0.000) 11.190 6.751 ( 0.000 -12.555 0.000) 12.555 6.857 ( 0.000 -15.598 0.000) 15.598 6.885 ( 0.000 15.487 0.000) 15.487 7.163 ( 0.000 -7.696 0.000) 7.696 7.298 ( 0.000 3.046 0.000) 3.046 7.478 ( 0.000 0.678 0.000) 0.678 7.483 ( 0.000 -8.111 0.000) 8.111 7.686 ( 0.000 -5.544 0.000) 5.544 7.699 ( 0.000 -4.795 0.000) 4.795 7.731 ( 0.000 5.343 0.000) 5.343 7.756 ( 0.000 -15.813 0.000) 15.813 7.846 ( 0.000 7.694 0.000) 7.694 8.122 ( 0.000 -3.742 0.000) 3.742 8.322 ( 0.000 5.741 0.000) 5.741 8.611 ( 0.000 8.097 0.000) 8.097 8.747 ( 0.000 -7.020 0.000) 7.020 8.873 ( 0.000 -5.003 0.000) 5.003 9.265 ( 0.000 -2.709 0.000) 2.709 9.378 ( 0.000 -0.525 0.000) 0.525 9.632 ( 0.000 3.933 0.000) 3.933 9.780 ( 0.000 -2.666 0.000) 2.666 9.932 ( 0.000 13.989 0.000) 13.989 10.213 ( 0.000 4.831 0.000) 4.831 10.420 ( 0.000 4.014 0.000) 4.014 10.532 ( 0.000 -5.079 0.000) 5.079 10.696 ( 0.000 17.203 0.000) 17.203 11.058 ( 0.000 8.406 0.000) 8.406 11.325 ( 0.000 -4.862 0.000) 4.862 11.492 ( 0.000 -11.708 0.000) 11.708 11.576 ( 0.000 8.030 0.000) 8.030 11.928 ( 0.000 -7.432 0.000) 7.432 11.948 ( 0.000 2.488 0.000) 2.488 12.266 ( 0.000 -8.217 0.000) 8.217 12.645 ( 0.000 -0.246 0.000) 0.246 12.699 ( 0.000 -3.854 0.000) 3.854 13.162 ( 0.000 -2.690 0.000) 2.690 13.313 ( 0.000 -10.117 0.000) 10.117 13.732 ( 0.000 3.698 0.000) 3.698 13.788 ( 0.000 -0.559 0.000) 0.559 14.229 ( 0.000 0.854 0.000) 0.854 14.236 ( 0.000 1.023 0.000) 1.023 14.478 ( 0.000 4.802 0.000) 4.802 14.671 ( 0.000 0.142 0.000) 0.142 14.703 ( 0.000 -4.441 0.000) 4.441 14.718 ( 0.000 1.937 0.000) 1.937 14.930 ( 0.000 15.769 0.000) 15.769 15.142 ( 0.000 11.775 0.000) 11.775 15.145 ( 0.000 0.590 0.000) 0.590 15.291 ( 0.000 1.466 0.000) 1.466 15.394 ( 0.000 -2.415 0.000) 2.415 15.445 ( 0.000 1.527 0.000) 1.527 15.523 ( 0.000 -1.633 0.000) 1.633 15.821 ( 0.000 -2.459 0.000) 2.459 15.856 ( 0.000 -13.426 0.000) 13.426 16.081 ( 0.000 -20.929 0.000) 20.929 16.284 ( 0.000 -5.527 0.000) 5.527 16.303 ( 0.000 -4.362 0.000) 4.362 16.650 ( 0.000 -1.093 0.000) 1.093 16.758 ( 0.000 -3.475 0.000) 3.475 17.031 ( 0.000 5.962 0.000) 5.962 17.201 ( 0.000 -4.139 0.000) 4.139 17.263 ( 0.000 5.305 0.000) 5.305 17.523 ( 0.000 -5.575 0.000) 5.575 17.893 ( 0.000 20.668 0.000) 20.668 18.373 ( 0.000 1.586 0.000) 1.586 18.481 ( 0.000 2.553 0.000) 2.553 18.877 ( 0.000 -20.864 0.000) 20.864 20.507 ( 0.000 4.116 0.000) 4.116 20.716 ( 0.000 -7.871 0.000) 7.871 21.201 ( 0.000 5.842 0.000) 5.842 21.523 ( 0.000 -9.220 0.000) 9.220 21.766 ( 0.000 7.829 0.000) 7.829 21.839 ( 0.000 9.688 0.000) 9.688 21.866 ( 0.000 7.997 0.000) 7.997 22.116 ( 0.000 -7.697 0.000) 7.697 22.381 ( 0.000 1.638 0.000) 1.638 22.403 ( 0.000 -3.616 0.000) 3.616 22.678 ( 0.000 5.746 0.000) 5.746 22.896 ( 0.000 1.942 0.000) 1.942 22.923 ( 0.000 3.037 0.000) 3.037 22.964 ( 0.000 -2.101 0.000) 2.101 23.247 ( 0.000 5.446 0.000) 5.446 23.348 ( 0.000 -2.939 0.000) 2.939 23.557 ( 0.000 -1.136 0.000) 1.136 23.629 ( 0.000 0.406 0.000) 0.406 23.982 ( 0.000 11.995 0.000) 11.995 24.363 ( 0.000 5.451 0.000) 5.451 24.392 ( 0.000 -6.414 0.000) 6.414 24.621 ( 0.000 -7.141 0.000) 7.141 25.543 ( 0.000 0.919 0.000) 0.919 25.646 ( 0.000 -4.030 0.000) 4.030 29.207 ( 0.000 1.301 0.000) 1.301 29.438 ( 0.000 -8.188 0.000) 8.188 29.551 ( 0.000 7.164 0.000) 7.164 29.586 ( 0.000 1.897 0.000) 1.897 29.727 ( 0.000 -3.031 0.000) 3.031 29.770 ( 0.000 -3.419 0.000) 3.419 29.902 ( 0.000 0.644 0.000) 0.644 29.929 ( 0.000 -0.836 0.000) 0.836 30.032 ( 0.000 -0.037 0.000) 0.037 30.062 ( 0.000 -0.536 0.000) 0.536 30.130 ( 0.000 -0.022 0.000) 0.022 30.190 ( 0.000 -2.672 0.000) 2.672 30.524 ( 0.000 3.066 0.000) 3.066 30.583 ( 0.000 3.778 0.000) 3.778 30.686 ( 0.000 1.568 0.000) 1.568 30.733 ( 0.000 6.588 0.000) 6.588 30.769 ( 0.000 -2.995 0.000) 2.995 31.069 ( 0.000 -5.616 0.000) 5.616 31.412 ( 0.000 11.200 0.000) 11.200 31.773 ( 0.000 6.234 0.000) 6.234 31.781 ( 0.000 -4.629 0.000) 4.629 31.903 ( 0.000 12.962 0.000) 12.962 31.949 ( 0.000 -3.241 0.000) 3.241 32.309 ( 0.000 -3.269 0.000) 3.269 32.585 ( 0.000 -3.092 0.000) 3.092 32.743 ( 0.000 -15.582 0.000) 15.582 33.742 ( 0.000 1.954 0.000) 1.954 33.789 ( 0.000 -1.057 0.000) 1.057 34.285 ( 0.000 2.456 0.000) 2.456 34.376 ( 0.000 -2.038 0.000) 2.038 34.505 ( 0.000 3.240 0.000) 3.240 34.689 ( 0.000 -5.537 0.000) 5.537 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 19.144 35.602 11.661) 42.071 2.032 ( 22.411 34.346 -0.015) 41.011 3.007 ( 18.226 22.058 -5.238) 29.089 3.122 ( 16.811 -5.529 9.558) 20.113 3.271 ( -6.625 2.896 -0.736) 7.268 3.340 ( 2.331 8.493 -9.656) 13.069 3.417 ( -0.051 10.132 -0.410) 10.140 3.683 ( 2.411 -8.268 0.981) 8.668 3.795 ( -7.005 2.426 -3.677) 8.275 3.918 ( 0.670 2.855 2.558) 3.891 3.949 ( -6.708 -4.982 1.093) 8.427 4.026 ( 6.650 7.967 1.303) 10.460 4.213 ( 7.458 11.025 4.620) 14.090 4.336 ( -6.725 -3.166 -3.199) 8.092 4.571 ( 5.278 0.800 4.711) 7.120 4.663 ( 0.580 -4.099 -4.493) 6.109 4.758 ( -0.100 5.317 1.397) 5.498 4.840 ( 7.135 -4.503 1.327) 8.541 4.916 ( 2.671 -4.058 -1.257) 5.018 4.974 ( 5.206 -3.856 -0.970) 6.551 5.122 ( -0.464 -0.364 0.979) 1.143 5.211 ( -6.530 -2.429 -1.888) 7.219 5.334 ( 2.813 -4.250 -4.175) 6.588 5.396 ( -6.073 -1.525 -3.757) 7.303 5.518 ( -7.075 -3.362 6.075) 9.912 5.652 ( 0.415 -6.317 -1.878) 6.603 5.738 ( 1.418 -7.054 -6.164) 9.475 5.766 ( -2.232 -6.913 0.171) 7.266 5.922 ( -3.871 -8.353 -5.156) 10.552 5.994 ( -11.365 -5.679 12.705) 17.968 6.357 ( 7.633 11.253 2.305) 13.792 6.454 ( 0.477 1.250 5.016) 5.191 6.659 ( 1.770 2.289 3.677) 4.679 6.745 ( -8.777 -1.670 -7.215) 11.484 6.795 ( -3.281 2.294 1.861) 4.415 6.967 ( -1.740 -10.274 2.056) 10.621 7.078 ( -6.642 0.554 -2.515) 7.124 7.240 ( 0.467 2.857 -0.904) 3.032 7.340 ( -11.794 3.591 -7.636) 14.502 7.465 ( -0.953 3.729 1.582) 4.161 7.635 ( 0.501 -1.185 5.546) 5.693 7.692 ( -1.201 -14.934 -0.059) 14.983 7.743 ( -4.544 6.244 -2.889) 8.245 7.923 ( 9.467 -0.854 -2.930) 9.947 8.028 ( 1.968 -8.491 0.982) 8.772 8.122 ( 9.274 -6.374 -1.923) 11.416 8.313 ( -1.957 5.164 0.654) 5.561 8.473 ( -7.740 0.344 -9.370) 12.158 8.708 ( -5.923 -1.639 -0.760) 6.193 8.907 ( 7.651 -7.408 -1.757) 10.794 9.210 ( -3.462 1.909 4.013) 5.633 9.347 ( -1.540 1.436 1.746) 2.736 9.607 ( -0.359 3.347 0.745) 3.448 9.777 ( -4.689 2.727 8.878) 10.404 9.880 ( -3.140 9.373 1.827) 10.053 10.283 ( 4.755 -0.324 3.061) 5.664 10.490 ( 3.417 3.383 2.390) 5.369 10.577 ( 6.208 -0.897 -8.115) 10.257 10.651 ( -3.385 18.919 2.146) 19.339 11.055 ( -0.241 7.369 -2.687) 7.848 11.312 ( -1.293 -5.933 2.600) 6.606 11.459 ( -1.801 -8.901 -1.623) 9.225 11.636 ( 4.406 5.246 5.222) 8.614 11.946 ( 0.405 -5.921 0.963) 6.013 12.015 ( 6.496 1.028 -5.156) 8.357 12.284 ( 1.679 -6.271 -3.474) 7.363 12.596 ( -3.885 0.895 -0.524) 4.021 12.699 ( 0.135 -5.130 -0.978) 5.224 13.189 ( 2.331 -3.621 1.438) 4.540 13.315 ( -0.049 -9.322 0.961) 9.372 13.757 ( 2.662 4.137 -2.902) 5.711 13.836 ( 3.654 -0.666 0.660) 3.772 14.222 ( 1.988 3.794 -0.490) 4.311 14.324 ( 4.421 -0.199 1.752) 4.760 14.482 ( -0.612 3.943 -1.663) 4.322 14.608 ( -2.420 4.993 2.042) 5.912 14.749 ( 2.546 0.424 -2.610) 3.671 14.762 ( 3.587 -5.519 2.279) 6.966 14.917 ( -1.435 11.337 -2.358) 11.669 15.087 ( -3.505 6.381 -2.644) 7.745 15.123 ( -4.126 3.120 2.230) 5.634 15.271 ( -0.397 -2.396 3.695) 4.422 15.340 ( -4.742 1.409 -1.975) 5.327 15.477 ( 0.598 -2.947 0.606) 3.068 15.633 ( 11.452 -3.253 1.586) 12.010 15.714 ( -4.813 -4.513 -0.384) 6.609 15.972 ( 5.240 -4.627 3.007) 7.610 16.143 ( -0.082 -11.460 1.925) 11.621 16.257 ( -2.547 -5.404 -1.422) 6.141 16.307 ( 4.843 -10.362 -3.431) 11.942 16.580 ( -6.369 1.140 3.355) 7.288 16.706 ( -4.819 -3.165 0.910) 5.837 16.853 ( -11.576 5.203 -6.995) 14.491 17.080 ( -10.159 -6.235 -1.342) 11.995 17.195 ( -3.516 9.392 -4.530) 11.004 17.554 ( 1.908 -8.010 0.056) 8.235 17.754 ( -11.064 13.420 4.605) 17.993 18.167 ( -15.733 -4.947 5.655) 17.435 18.674 ( 15.639 7.723 -1.093) 17.476 19.070 ( 12.305 -13.601 -4.661) 18.924 20.529 ( 2.060 4.459 -2.787) 5.648 20.755 ( 2.900 -7.494 -0.087) 8.036 21.299 ( 8.366 4.873 3.555) 10.314 21.453 ( -1.380 1.331 2.811) 3.403 21.760 ( -1.049 8.341 2.624) 8.807 21.843 ( -0.167 5.794 3.962) 7.021 21.989 ( 6.038 1.660 0.604) 6.291 22.164 ( 2.696 -5.166 -2.243) 6.244 22.336 ( -1.626 7.706 -1.059) 7.946 22.461 ( 5.461 -2.743 -0.332) 6.120 22.644 ( -2.532 7.386 -0.519) 7.826 22.926 ( 0.726 1.379 0.852) 1.776 22.951 ( 2.849 4.045 -0.503) 4.973 23.062 ( 4.594 -7.792 -1.348) 9.146 23.208 ( -2.815 5.839 7.883) 10.206 23.434 ( 6.635 -3.983 -4.975) 9.200 23.562 ( -0.317 -2.568 -1.807) 3.156 23.642 ( 2.509 -3.652 5.647) 7.178 23.982 ( 0.999 10.956 -1.549) 11.110 24.330 ( -0.636 0.398 0.604) 0.963 24.433 ( 3.068 -2.436 -1.693) 4.268 24.588 ( -2.920 -6.473 -0.893) 7.157 25.405 ( -11.238 2.808 2.735) 11.902 25.562 ( -7.507 -5.155 -2.222) 9.374 29.176 ( -2.572 2.720 -0.707) 3.810 29.396 ( -2.690 -3.292 0.457) 4.276 29.519 ( -1.805 -1.797 2.719) 3.726 29.608 ( -8.148 1.744 1.340) 8.439 29.674 ( 5.270 3.818 -3.774) 7.523 29.755 ( -0.900 -1.789 0.435) 2.049 29.887 ( -1.877 0.590 2.620) 3.276 29.900 ( -1.969 -1.292 0.631) 2.438 30.017 ( -0.506 -0.177 0.209) 0.575 30.053 ( -1.559 -1.464 0.281) 2.157 30.164 ( 1.465 1.503 -1.485) 2.571 30.199 ( 1.951 -0.426 -3.136) 3.717 30.475 ( -4.343 4.227 0.127) 6.062 30.586 ( -2.018 3.267 -4.413) 5.850 30.630 ( -0.797 -2.003 0.545) 2.224 30.683 ( 0.090 5.014 -2.276) 5.507 30.828 ( 2.321 -1.487 -2.744) 3.889 31.001 ( -3.398 -2.717 0.256) 4.358 31.486 ( 1.237 7.756 -7.521) 10.874 31.722 ( 1.614 -3.713 -3.354) 5.257 31.796 ( -5.053 17.645 -1.169) 18.391 32.014 ( 8.417 -1.110 7.024) 11.019 32.087 ( 12.086 -4.248 12.294) 17.755 32.242 ( -4.182 -0.725 -4.131) 5.923 32.639 ( 3.733 -6.167 -8.340) 11.024 32.717 ( -1.890 -15.147 5.696) 16.292 33.486 ( -23.198 7.653 2.390) 24.545 33.584 ( -14.312 0.727 1.822) 14.446 34.073 ( -5.660 4.962 -3.614) 8.350 34.240 ( 2.249 -4.043 -2.899) 5.459 34.819 ( 19.327 5.631 -0.083) 20.131 35.194 ( 21.042 -15.590 4.605) 26.589 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 19.791 30.111 9.301) 37.214 2.656 ( 27.656 20.922 3.440) 34.849 3.085 ( -8.203 14.703 -2.482) 17.019 3.155 ( -8.194 -4.751 4.384) 10.437 3.199 ( 1.705 9.579 -7.023) 12.000 3.541 ( 6.493 7.510 -0.243) 9.930 3.612 ( 1.314 -5.102 10.863) 12.073 3.638 ( -0.921 -3.584 -1.624) 4.041 3.846 ( -1.594 -0.662 0.792) 1.900 3.940 ( 16.847 -1.604 -6.994) 18.312 3.983 ( 7.642 -6.895 -4.311) 11.159 4.132 ( -8.507 -4.091 1.261) 9.524 4.292 ( 8.797 13.623 -2.193) 16.363 4.391 ( 16.709 17.557 2.861) 24.405 4.584 ( -4.101 13.240 -3.141) 14.212 4.654 ( -3.380 -2.687 3.293) 5.430 4.712 ( -4.497 1.644 1.058) 4.904 4.854 ( 2.008 7.972 0.302) 8.227 4.938 ( 2.808 8.405 -1.331) 8.962 5.065 ( -7.104 0.659 -5.163) 8.807 5.097 ( -4.744 -3.388 13.458) 14.666 5.148 ( 2.710 -1.949 -9.945) 10.491 5.289 ( -1.974 -7.482 -2.648) 8.178 5.345 ( 5.921 -3.106 -4.508) 8.064 5.460 ( -3.376 -4.853 9.478) 11.170 5.589 ( 2.565 -0.566 -0.059) 2.627 5.707 ( 2.549 -5.676 1.572) 6.417 5.776 ( -5.949 -12.662 -1.578) 14.078 5.850 ( 0.516 -9.105 -2.034) 9.344 6.103 ( 14.343 -14.032 -2.993) 20.287 6.395 ( -14.725 -0.768 1.148) 14.789 6.502 ( -12.162 2.447 3.582) 12.912 6.514 ( 0.375 2.696 4.494) 5.254 6.638 ( -4.507 5.189 -2.722) 7.392 6.694 ( 0.730 -1.567 0.837) 1.920 6.804 ( -2.288 -4.970 -3.697) 6.603 6.962 ( -3.027 -9.075 1.360) 9.663 7.169 ( -3.613 8.562 -3.051) 9.781 7.292 ( -1.364 2.025 -4.072) 4.748 7.488 ( -1.991 4.956 -1.992) 5.701 7.594 ( -3.663 -10.746 10.536) 15.489 7.605 ( 0.393 -2.913 -3.338) 4.448 7.678 ( -1.796 -3.544 0.240) 3.980 7.890 ( -7.477 -7.235 -1.078) 10.461 7.975 ( -6.615 -2.655 2.104) 7.432 8.018 ( -14.116 3.037 -2.196) 14.605 8.405 ( 10.121 -0.979 3.180) 10.653 8.553 ( 13.825 -7.800 -10.817) 19.209 8.838 ( 11.501 3.437 -6.877) 13.834 9.020 ( -2.375 -8.438 1.329) 8.866 9.115 ( -1.030 4.984 -1.703) 5.366 9.290 ( -5.896 -0.124 4.651) 7.510 9.589 ( -2.406 4.329 5.390) 7.320 9.690 ( -0.397 2.725 4.402) 5.193 9.832 ( -1.186 6.738 1.765) 7.065 10.317 ( -0.346 -11.430 3.328) 11.909 10.553 ( -0.165 13.839 -0.973) 13.874 10.622 ( 3.018 21.608 1.152) 21.848 10.704 ( 3.346 4.802 -1.957) 6.171 11.056 ( 0.543 2.621 -3.974) 4.791 11.263 ( -3.082 -7.555 3.090) 8.725 11.458 ( 1.925 -5.874 -1.307) 6.318 11.731 ( 4.044 1.206 5.049) 6.580 11.929 ( -2.073 -8.458 0.859) 8.750 12.176 ( 7.089 1.972 -4.113) 8.430 12.324 ( 1.234 -2.333 -5.324) 5.942 12.525 ( -1.255 3.477 -0.410) 3.719 12.704 ( -0.057 -6.018 -0.503) 6.040 13.247 ( 2.602 -5.568 1.288) 6.279 13.303 ( -1.024 -7.331 0.926) 7.460 13.845 ( 5.029 2.529 -2.099) 6.008 13.909 ( 2.527 -0.909 0.694) 2.774 14.280 ( 2.165 6.484 -0.357) 6.846 14.373 ( -0.866 3.386 3.679) 5.074 14.467 ( 1.333 4.858 0.949) 5.126 14.612 ( 1.802 -0.104 -0.222) 1.819 14.763 ( -2.758 2.355 0.060) 3.628 14.816 ( 2.356 -1.188 -1.384) 2.979 14.863 ( -3.145 3.941 -3.668) 6.235 15.015 ( -2.984 -2.861 -5.637) 6.990 15.053 ( -1.727 3.388 0.994) 3.931 15.245 ( -3.087 -7.315 4.507) 9.130 15.275 ( 0.060 5.324 2.477) 5.873 15.526 ( 5.439 -2.145 1.599) 6.062 15.643 ( -1.775 2.131 -0.772) 2.879 15.862 ( 6.704 -6.824 0.281) 9.570 16.011 ( -3.243 1.152 -1.525) 3.764 16.079 ( -2.185 -3.693 2.251) 4.846 16.188 ( -0.981 -1.674 3.824) 4.289 16.426 ( -5.755 2.474 2.947) 6.923 16.463 ( 1.626 -8.852 -5.330) 10.460 16.592 ( -0.727 -2.783 1.413) 3.204 16.705 ( -3.142 -3.154 -3.331) 5.560 16.856 ( -8.628 -9.526 -3.173) 13.238 17.134 ( -1.963 9.121 -5.147) 10.655 17.494 ( -6.612 -0.924 -1.008) 6.752 17.632 ( 1.186 -2.886 1.751) 3.578 17.813 ( -16.220 -5.789 7.392) 18.741 18.985 ( 11.296 8.121 -0.680) 13.929 19.289 ( 7.402 -7.443 -3.634) 11.108 20.583 ( 2.515 4.914 -2.366) 6.006 20.811 ( 1.952 -5.608 -0.107) 5.939 21.479 ( 4.219 2.901 4.456) 6.788 21.511 ( 7.839 2.496 3.352) 8.883 21.745 ( -1.297 10.731 -1.655) 10.935 21.847 ( 1.987 0.507 8.723) 8.960 22.038 ( -0.889 1.122 -5.092) 5.290 22.164 ( -1.580 -2.046 -3.306) 4.197 22.367 ( 2.893 15.112 3.824) 15.855 22.553 ( -0.006 3.296 2.651) 4.230 22.636 ( 3.868 3.723 -4.620) 7.084 22.921 ( -1.004 1.955 6.642) 6.996 23.005 ( 1.733 -3.077 1.898) 4.009 23.047 ( -4.532 -2.078 -8.223) 9.616 23.205 ( 2.572 9.376 1.532) 9.843 23.500 ( -2.799 0.079 -1.306) 3.089 23.581 ( 4.821 -6.957 -0.761) 8.498 23.713 ( 2.132 -6.676 2.370) 7.398 24.024 ( 1.578 10.209 -0.087) 10.330 24.418 ( 7.974 -10.172 5.612) 14.091 24.493 ( -1.191 -0.309 -0.652) 1.393 24.552 ( 4.878 -5.581 -5.690) 9.344 25.135 ( -12.751 3.116 3.652) 13.624 25.358 ( -10.375 -6.444 -2.802) 12.531 29.117 ( -2.445 5.079 -0.597) 5.668 29.348 ( -1.629 -1.006 0.663) 2.026 29.465 ( -4.330 2.768 -2.298) 5.630 29.482 ( -1.598 -4.917 2.228) 5.630 29.735 ( -0.005 -0.739 -0.034) 0.740 29.768 ( 1.079 -0.089 0.072) 1.085 29.839 ( -0.481 1.349 0.422) 1.493 29.878 ( -0.261 -1.793 1.075) 2.107 29.981 ( -3.519 -1.931 2.281) 4.617 30.007 ( -1.706 -1.700 -2.293) 3.325 30.214 ( 3.332 5.525 -1.996) 6.754 30.247 ( 2.093 2.026 -3.150) 4.290 30.382 ( -3.837 4.375 2.742) 6.433 30.543 ( -0.838 -5.462 -1.388) 5.697 30.643 ( 0.480 5.358 -1.224) 5.517 30.725 ( 3.283 2.960 -3.489) 5.632 30.875 ( 1.741 -2.237 -1.307) 3.122 30.938 ( -2.519 -2.852 0.616) 3.855 31.473 ( -1.123 6.297 -1.487) 6.567 31.691 ( -4.050 18.756 0.170) 19.189 31.726 ( -1.411 -7.531 -2.727) 8.133 32.142 ( -2.491 -3.593 -1.196) 4.532 32.234 ( 10.410 1.605 8.645) 13.626 32.343 ( 8.615 3.562 0.540) 9.338 32.661 ( -0.575 -13.821 -0.080) 13.834 32.757 ( 5.451 -9.630 -7.731) 13.499 33.021 ( -18.485 9.140 3.895) 20.986 33.259 ( -14.500 -2.701 4.819) 15.517 34.049 ( 1.120 6.708 -2.551) 7.264 34.330 ( 4.136 -6.862 -1.897) 8.233 35.188 ( 14.309 3.156 -0.967) 14.685 35.454 ( 4.312 -10.887 3.348) 12.179 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 0.000 24.532 -0.000) 24.532 2.799 ( -0.000 23.451 0.000) 23.451 3.007 ( 0.000 -0.342 -0.000) 0.342 3.069 ( -0.000 -3.234 -0.000) 3.234 3.410 ( -0.000 15.608 0.000) 15.608 3.441 ( 0.000 14.244 -0.000) 14.244 3.567 ( 0.000 0.977 0.000) 0.977 3.583 ( 0.000 11.754 0.000) 11.754 3.812 ( 0.000 -12.191 0.000) 12.191 3.968 ( 0.000 -7.639 -0.000) 7.639 4.136 ( -0.000 -0.018 -0.000) 0.018 4.286 ( 0.000 -2.521 0.000) 2.521 4.369 ( -0.000 -4.216 0.000) 4.216 4.378 ( 0.000 11.303 -0.000) 11.303 4.533 ( 0.000 -7.521 -0.000) 7.521 4.691 ( 0.000 -0.867 0.000) 0.867 4.765 ( 0.000 17.708 -0.000) 17.708 4.857 ( -0.000 -2.366 -0.000) 2.366 4.981 ( 0.000 -6.408 0.000) 6.408 4.982 ( -0.000 8.374 -0.000) 8.374 5.149 ( 0.000 1.794 0.000) 1.794 5.167 ( 0.000 0.676 -0.000) 0.676 5.281 ( 0.000 -1.005 -0.000) 1.005 5.359 ( 0.000 -3.838 0.000) 3.838 5.577 ( 0.000 7.394 -0.000) 7.394 5.628 ( 0.000 -3.382 0.000) 3.382 5.659 ( 0.000 14.778 0.000) 14.778 5.759 ( 0.000 -2.586 -0.000) 2.586 5.893 ( 0.000 0.282 0.000) 0.282 6.032 ( 0.000 -7.360 -0.000) 7.360 6.087 ( 0.000 -8.926 0.000) 8.926 6.379 ( 0.000 0.463 -0.000) 0.463 6.621 ( 0.000 0.722 -0.000) 0.722 6.639 ( -0.000 -9.241 0.000) 9.241 6.711 ( -0.000 -5.564 -0.000) 5.564 6.815 ( 0.000 -5.866 -0.000) 5.866 6.914 ( 0.000 -13.850 -0.000) 13.850 7.136 ( 0.000 8.654 -0.000) 8.654 7.251 ( 0.000 0.742 -0.000) 0.742 7.352 ( 0.000 -16.416 0.000) 16.416 7.531 ( 0.000 1.217 -0.000) 1.217 7.648 ( 0.000 -5.154 0.000) 5.154 7.747 ( 0.000 -15.348 0.000) 15.348 7.798 ( 0.000 10.892 -0.000) 10.892 7.835 ( 0.000 -7.869 0.000) 7.869 7.865 ( 0.000 9.062 -0.000) 9.062 8.564 ( 0.000 13.293 0.000) 13.293 8.804 ( -0.000 -8.736 0.000) 8.736 8.820 ( 0.000 -11.169 -0.000) 11.169 9.080 ( 0.000 6.597 -0.000) 6.597 9.117 ( 0.000 1.758 -0.000) 1.758 9.135 ( 0.000 -10.040 0.000) 10.040 9.558 ( 0.000 6.616 -0.000) 6.616 9.700 ( 0.000 -2.503 0.000) 2.503 9.825 ( 0.000 8.730 0.000) 8.730 10.317 ( 0.000 -13.581 0.000) 13.581 10.541 ( 0.000 21.416 -0.000) 21.416 10.672 ( 0.000 20.821 -0.000) 20.821 10.726 ( 0.000 6.583 -0.000) 6.583 11.065 ( 0.000 -0.319 -0.000) 0.319 11.222 ( 0.000 -8.243 0.000) 8.243 11.493 ( 0.000 -3.156 0.000) 3.156 11.796 ( 0.000 -0.483 0.000) 0.483 11.883 ( 0.000 -11.528 -0.000) 11.528 12.268 ( 0.000 0.186 -0.000) 0.186 12.310 ( 0.000 0.965 -0.000) 0.965 12.548 ( 0.000 4.385 -0.000) 4.385 12.690 ( 0.000 -4.312 0.000) 4.312 13.281 ( 0.000 -5.923 -0.000) 5.923 13.286 ( -0.000 -7.560 0.000) 7.560 13.925 ( -0.000 0.083 0.000) 0.083 13.925 ( 0.000 -0.111 -0.000) 0.111 14.319 ( 0.000 7.443 -0.000) 7.443 14.320 ( -0.000 3.212 0.000) 3.212 14.507 ( 0.000 5.989 -0.000) 5.989 14.645 ( 0.000 0.040 0.000) 0.040 14.722 ( 0.000 1.896 0.000) 1.896 14.777 ( 0.000 -1.885 -0.000) 1.885 14.889 ( 0.000 -0.497 0.000) 0.497 14.989 ( 0.000 3.073 -0.000) 3.073 15.007 ( 0.000 4.661 -0.000) 4.661 15.178 ( 0.000 -10.687 -0.000) 10.687 15.320 ( 0.000 2.552 0.000) 2.552 15.620 ( 0.000 -5.762 0.000) 5.762 15.627 ( 0.000 5.729 -0.000) 5.729 15.872 ( 0.000 1.432 0.000) 1.432 16.002 ( 0.000 -1.674 -0.000) 1.674 16.025 ( 0.000 -8.669 0.000) 8.669 16.206 ( 0.000 6.078 0.000) 6.078 16.366 ( 0.000 4.206 -0.000) 4.206 16.437 ( 0.000 -2.384 0.000) 2.384 16.613 ( 0.000 -10.803 0.000) 10.803 16.675 ( 0.000 0.477 -0.000) 0.477 16.763 ( 0.000 -13.438 0.000) 13.438 17.118 ( 0.000 4.970 -0.000) 4.970 17.472 ( -0.000 -6.725 0.000) 6.725 17.560 ( 0.000 -0.461 -0.000) 0.461 17.655 ( 0.000 -5.883 0.000) 5.883 19.111 ( 0.000 7.854 0.000) 7.854 19.369 ( 0.000 -5.085 -0.000) 5.085 20.613 ( 0.000 5.150 -0.000) 5.150 20.832 ( 0.000 -4.227 -0.000) 4.227 21.527 ( 0.000 0.618 -0.000) 0.618 21.624 ( 0.000 -0.871 -0.000) 0.871 21.703 ( 0.000 10.659 0.000) 10.659 21.908 ( 0.000 -2.826 0.000) 2.826 22.008 ( 0.000 9.774 -0.000) 9.774 22.137 ( 0.000 -2.727 -0.000) 2.727 22.389 ( 0.000 16.581 0.000) 16.581 22.569 ( 0.000 7.307 -0.000) 7.307 22.675 ( 0.000 1.786 -0.000) 1.786 22.929 ( 0.000 -1.901 0.000) 1.901 22.962 ( 0.000 2.072 -0.000) 2.072 23.020 ( 0.000 -4.877 0.000) 4.877 23.253 ( 0.000 9.634 -0.000) 9.634 23.450 ( 0.000 0.127 -0.000) 0.127 23.643 ( 0.000 -6.131 -0.000) 6.131 23.734 ( 0.000 -6.344 0.000) 6.344 24.042 ( 0.000 10.781 -0.000) 10.781 24.430 ( 0.000 -4.877 0.000) 4.877 24.587 ( 0.000 -7.697 -0.000) 7.697 24.652 ( 0.000 -6.633 -0.000) 6.633 24.955 ( 0.000 1.811 -0.000) 1.811 25.210 ( 0.000 -5.949 0.000) 5.949 29.088 ( 0.000 5.894 0.000) 5.894 29.330 ( 0.000 -0.442 0.000) 0.442 29.420 ( 0.000 2.673 0.000) 2.673 29.464 ( 0.000 -6.898 -0.000) 6.898 29.737 ( -0.000 -1.358 0.000) 1.358 29.757 ( 0.000 -0.909 -0.000) 0.909 29.855 ( 0.000 1.743 0.000) 1.743 29.885 ( 0.000 -1.728 -0.000) 1.728 29.925 ( 0.000 -2.446 -0.000) 2.446 29.984 ( 0.000 -1.993 0.000) 1.993 30.262 ( 0.000 6.973 0.000) 6.973 30.288 ( -0.000 5.128 0.000) 5.128 30.320 ( 0.000 2.435 -0.000) 2.435 30.537 ( 0.000 -7.142 -0.000) 7.142 30.646 ( 0.000 5.754 0.000) 5.754 30.781 ( 0.000 4.834 -0.000) 4.834 30.871 ( 0.000 -2.258 0.000) 2.258 30.921 ( 0.000 -4.583 -0.000) 4.583 31.459 ( 0.000 5.767 0.000) 5.767 31.644 ( 0.000 18.437 0.000) 18.437 31.702 ( 0.000 -7.387 -0.000) 7.387 32.116 ( 0.000 -5.659 -0.000) 5.659 32.328 ( 0.000 3.265 0.000) 3.265 32.536 ( 0.000 3.139 0.000) 3.139 32.680 ( -0.000 -10.338 0.000) 10.338 32.684 ( 0.000 8.424 -0.000) 8.424 32.914 ( 0.000 -8.860 0.000) 8.860 33.035 ( 0.000 -5.570 -0.000) 5.570 34.067 ( 0.000 7.275 0.000) 7.275 34.378 ( 0.000 -7.554 0.000) 7.554 35.389 ( 0.000 -1.465 -0.000) 1.465 35.448 ( -0.000 -4.391 0.000) 4.391 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 0.000 -34.453 0.000) 34.453 2.317 ( 0.000 34.453 0.000) 34.453 2.670 ( 0.000 -34.949 0.000) 34.949 2.670 ( 0.000 34.949 0.000) 34.949 3.384 ( 0.000 -0.497 0.000) 0.497 3.384 ( 0.000 0.497 0.000) 0.497 3.679 ( 0.000 -11.300 0.000) 11.300 3.679 ( 0.000 11.300 0.000) 11.300 3.941 ( 0.000 -1.155 0.000) 1.155 3.941 ( 0.000 1.155 0.000) 1.155 4.177 ( 0.000 -4.748 0.000) 4.748 4.177 ( 0.000 4.748 0.000) 4.748 4.226 ( 0.000 -3.556 0.000) 3.556 4.226 ( 0.000 3.556 0.000) 3.556 4.532 ( 0.000 -13.320 0.000) 13.320 4.532 ( 0.000 13.320 0.000) 13.320 4.764 ( 0.000 -26.112 0.000) 26.112 4.764 ( 0.000 26.112 0.000) 26.112 4.790 ( 0.000 -3.480 0.000) 3.480 4.790 ( 0.000 3.480 0.000) 3.480 4.977 ( 0.000 -13.502 0.000) 13.502 4.977 ( 0.000 13.502 0.000) 13.502 5.340 ( 0.000 -5.375 0.000) 5.375 5.340 ( 0.000 5.375 0.000) 5.375 5.602 ( 0.000 -6.296 0.000) 6.296 5.602 ( 0.000 6.296 0.000) 6.296 5.871 ( 0.000 -2.308 0.000) 2.308 5.871 ( 0.000 2.308 0.000) 2.308 5.946 ( 0.000 -18.060 0.000) 18.060 5.946 ( 0.000 18.060 0.000) 18.060 6.546 ( 0.000 -7.517 0.000) 7.517 6.546 ( 0.000 7.517 0.000) 7.517 6.611 ( 0.000 -11.835 0.000) 11.835 6.611 ( 0.000 11.835 0.000) 11.835 7.002 ( 0.000 -12.890 0.000) 12.890 7.002 ( 0.000 12.890 0.000) 12.890 7.224 ( 0.000 -17.157 0.000) 17.157 7.224 ( 0.000 17.157 0.000) 17.157 7.381 ( 0.000 -10.249 0.000) 10.249 7.381 ( 0.000 10.249 0.000) 10.249 7.574 ( 0.000 -7.356 0.000) 7.356 7.574 ( 0.000 7.356 0.000) 7.356 7.763 ( 0.000 -1.213 0.000) 1.213 7.763 ( 0.000 1.213 0.000) 1.213 8.012 ( 0.000 -7.744 0.000) 7.744 8.012 ( 0.000 7.744 0.000) 7.744 8.509 ( 0.000 -13.526 0.000) 13.526 8.509 ( 0.000 13.526 0.000) 13.526 8.763 ( 0.000 -7.388 0.000) 7.388 8.763 ( 0.000 7.388 0.000) 7.388 9.300 ( 0.000 -5.015 0.000) 5.015 9.300 ( 0.000 5.015 0.000) 5.015 9.710 ( 0.000 -4.129 0.000) 4.129 9.710 ( 0.000 4.129 0.000) 4.129 10.175 ( 0.000 -8.898 0.000) 8.898 10.175 ( 0.000 8.898 0.000) 8.898 10.476 ( 0.000 -1.914 0.000) 1.914 10.476 ( 0.000 1.914 0.000) 1.914 11.072 ( 0.000 -19.717 0.000) 19.717 11.072 ( 0.000 19.717 0.000) 19.717 11.259 ( 0.000 -12.148 0.000) 12.148 11.259 ( 0.000 12.148 0.000) 12.148 11.756 ( 0.000 -10.061 0.000) 10.061 11.756 ( 0.000 10.061 0.000) 10.061 12.076 ( 0.000 -10.287 0.000) 10.287 12.076 ( 0.000 10.287 0.000) 10.287 12.651 ( 0.000 -1.193 0.000) 1.193 12.651 ( 0.000 1.193 0.000) 1.193 13.174 ( 0.000 -4.138 0.000) 4.138 13.174 ( 0.000 4.138 0.000) 4.138 13.778 ( 0.000 -1.157 0.000) 1.157 13.778 ( 0.000 1.157 0.000) 1.157 14.243 ( 0.000 -0.221 0.000) 0.221 14.243 ( 0.000 0.221 0.000) 0.221 14.565 ( 0.000 -5.054 0.000) 5.054 14.565 ( 0.000 5.054 0.000) 5.054 14.727 ( 0.000 -0.929 0.000) 0.929 14.727 ( 0.000 0.929 0.000) 0.929 15.130 ( 0.000 -3.941 0.000) 3.941 15.130 ( 0.000 3.941 0.000) 3.941 15.334 ( 0.000 -3.676 0.000) 3.676 15.334 ( 0.000 3.676 0.000) 3.676 15.423 ( 0.000 -12.806 0.000) 12.806 15.423 ( 0.000 12.806 0.000) 12.806 15.583 ( 0.000 -13.157 0.000) 13.157 15.583 ( 0.000 13.157 0.000) 13.157 15.791 ( 0.000 -3.934 0.000) 3.934 15.791 ( 0.000 3.934 0.000) 3.934 16.242 ( 0.000 -0.720 0.000) 0.720 16.242 ( 0.000 0.720 0.000) 0.720 16.689 ( 0.000 -3.601 0.000) 3.601 16.689 ( 0.000 3.601 0.000) 3.601 17.122 ( 0.000 -4.153 0.000) 4.153 17.122 ( 0.000 4.153 0.000) 4.153 17.390 ( 0.000 -7.542 0.000) 7.542 17.390 ( 0.000 7.542 0.000) 7.542 18.276 ( 0.000 -15.557 0.000) 15.557 18.276 ( 0.000 15.557 0.000) 15.557 18.556 ( 0.000 -8.354 0.000) 8.354 18.556 ( 0.000 8.354 0.000) 8.354 20.595 ( 0.000 -5.292 0.000) 5.292 20.595 ( 0.000 5.292 0.000) 5.292 21.345 ( 0.000 -8.977 0.000) 8.977 21.345 ( 0.000 8.977 0.000) 8.977 21.904 ( 0.000 -5.001 0.000) 5.001 21.904 ( 0.000 5.001 0.000) 5.001 21.987 ( 0.000 -5.673 0.000) 5.673 21.987 ( 0.000 5.673 0.000) 5.673 22.366 ( 0.000 -0.312 0.000) 0.312 22.366 ( 0.000 0.312 0.000) 0.312 22.833 ( 0.000 -8.050 0.000) 8.050 22.833 ( 0.000 8.050 0.000) 8.050 22.946 ( 0.000 -0.191 0.000) 0.191 22.946 ( 0.000 0.191 0.000) 0.191 23.318 ( 0.000 -1.491 0.000) 1.491 23.318 ( 0.000 1.491 0.000) 1.491 23.583 ( 0.000 -3.603 0.000) 3.603 23.583 ( 0.000 3.603 0.000) 3.603 24.217 ( 0.000 -11.727 0.000) 11.727 24.217 ( 0.000 11.727 0.000) 11.727 24.485 ( 0.000 -7.003 0.000) 7.003 24.485 ( 0.000 7.003 0.000) 7.003 25.578 ( 0.000 -2.837 0.000) 2.837 25.578 ( 0.000 2.837 0.000) 2.837 29.283 ( 0.000 -6.628 0.000) 6.628 29.283 ( 0.000 6.628 0.000) 6.628 29.651 ( 0.000 -2.973 0.000) 2.973 29.651 ( 0.000 2.973 0.000) 2.973 29.684 ( 0.000 -4.775 0.000) 4.775 29.684 ( 0.000 4.775 0.000) 4.775 29.916 ( 0.000 -0.649 0.000) 0.649 29.916 ( 0.000 0.649 0.000) 0.649 30.043 ( 0.000 -1.158 0.000) 1.158 30.043 ( 0.000 1.158 0.000) 1.158 30.146 ( 0.000 -1.743 0.000) 1.743 30.146 ( 0.000 1.743 0.000) 1.743 30.584 ( 0.000 -2.919 0.000) 2.919 30.584 ( 0.000 2.919 0.000) 2.919 30.706 ( 0.000 -3.375 0.000) 3.375 30.706 ( 0.000 3.375 0.000) 3.375 30.926 ( 0.000 -9.440 0.000) 9.440 30.926 ( 0.000 9.440 0.000) 9.440 31.626 ( 0.000 -10.640 0.000) 10.640 31.626 ( 0.000 10.640 0.000) 10.640 31.878 ( 0.000 -4.715 0.000) 4.715 31.878 ( 0.000 4.715 0.000) 4.715 32.170 ( 0.000 -12.746 0.000) 12.746 32.170 ( 0.000 12.746 0.000) 12.746 32.557 ( 0.000 -2.295 0.000) 2.295 32.557 ( 0.000 2.295 0.000) 2.295 33.769 ( 0.000 -1.122 0.000) 1.122 33.769 ( 0.000 1.122 0.000) 1.122 34.333 ( 0.000 -2.445 0.000) 2.445 34.333 ( 0.000 2.445 0.000) 2.445 34.585 ( 0.000 -5.085 0.000) 5.085 34.585 ( 0.000 5.085 0.000) 5.085 ======================= Grid point 23 (14/80) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 13.652 -9.876 6.364) 18.011 2.477 ( 13.652 9.876 6.364) 18.011 2.924 ( 19.229 -14.206 0.733) 23.919 2.924 ( 19.229 14.206 0.733) 23.919 3.274 ( -5.028 -3.768 -0.262) 6.289 3.274 ( -5.028 3.768 -0.262) 6.289 3.710 ( 1.804 -12.531 -1.897) 12.801 3.710 ( 1.804 12.531 -1.897) 12.801 3.855 ( -7.446 -3.605 -2.096) 8.534 3.855 ( -7.446 3.605 -2.096) 8.534 4.054 ( -5.426 -15.297 -0.002) 16.231 4.054 ( -5.426 15.297 -0.002) 16.231 4.438 ( 10.320 -11.797 1.909) 15.790 4.438 ( 10.320 11.797 1.909) 15.790 4.559 ( 3.036 -16.319 4.801) 17.279 4.559 ( 3.036 16.319 4.801) 17.279 4.834 ( 6.994 -8.979 -5.200) 12.514 4.834 ( 6.994 8.979 -5.200) 12.514 4.900 ( 8.089 -6.750 -0.143) 10.536 4.900 ( 8.089 6.750 -0.143) 10.536 5.077 ( 8.775 -13.101 -2.293) 15.934 5.077 ( 8.775 13.101 -2.293) 15.934 5.292 ( -4.358 -3.826 0.575) 5.828 5.292 ( -4.358 3.826 0.575) 5.828 5.561 ( -8.221 -6.462 1.652) 10.587 5.561 ( -8.221 6.462 1.652) 10.587 5.707 ( -5.475 -7.644 -10.562) 14.141 5.707 ( -5.475 7.644 -10.562) 14.141 5.843 ( -10.568 -6.766 9.057) 15.475 5.843 ( -10.568 6.766 9.057) 15.475 6.494 ( -1.743 -3.002 6.075) 6.996 6.494 ( -1.743 3.002 6.075) 6.996 6.663 ( 2.983 -8.333 0.768) 8.884 6.663 ( 2.983 8.333 0.768) 8.884 6.857 ( -9.151 -6.880 -7.141) 13.493 6.857 ( -9.151 6.880 -7.141) 13.493 7.269 ( -3.043 -9.818 3.282) 10.790 7.269 ( -3.043 9.818 3.282) 10.790 7.354 ( 0.045 -6.424 -0.259) 6.430 7.354 ( 0.045 6.424 -0.259) 6.430 7.578 ( 0.676 -4.609 -0.230) 4.664 7.578 ( 0.676 4.609 -0.230) 4.664 7.892 ( -2.171 -4.458 0.154) 4.961 7.892 ( -2.171 4.458 0.154) 4.961 7.980 ( 6.463 -7.836 -5.397) 11.502 7.980 ( 6.463 7.836 -5.397) 11.502 8.422 ( -9.405 -5.442 -1.069) 10.918 8.422 ( -9.405 5.442 -1.069) 10.918 8.751 ( 4.543 -6.227 -2.521) 8.110 8.751 ( 4.543 6.227 -2.521) 8.110 9.295 ( -1.307 -5.090 1.135) 5.377 9.295 ( -1.307 5.090 1.135) 5.377 9.697 ( -1.092 -5.662 5.912) 8.259 9.697 ( -1.092 5.662 5.912) 8.259 10.145 ( -3.902 -12.287 3.320) 13.313 10.145 ( -3.902 12.287 3.320) 13.313 10.556 ( 7.669 -2.482 -3.715) 8.876 10.556 ( 7.669 2.482 -3.715) 8.876 11.055 ( -0.948 -19.806 3.661) 20.164 11.055 ( -0.948 19.806 3.661) 20.164 11.245 ( -1.538 -12.088 -2.983) 12.545 11.245 ( -1.538 12.088 -2.983) 12.545 11.778 ( 1.328 -8.785 5.098) 10.243 11.778 ( 1.328 8.785 5.098) 10.243 12.132 ( 5.101 -8.613 -6.794) 12.098 12.132 ( 5.101 8.613 -6.794) 12.098 12.627 ( -1.880 -2.540 -0.623) 3.221 12.627 ( -1.880 2.540 -0.623) 3.221 13.188 ( 1.117 -3.559 1.485) 4.015 13.188 ( 1.117 3.559 1.485) 4.015 13.817 ( 3.117 -1.900 -1.519) 3.954 13.817 ( 3.117 1.900 -1.519) 3.954 14.288 ( 4.099 -3.147 -0.712) 5.217 14.288 ( 4.099 3.147 -0.712) 5.217 14.573 ( -0.539 -5.494 0.935) 5.599 14.573 ( -0.539 5.494 0.935) 5.599 14.740 ( 2.231 -1.556 0.508) 2.767 14.740 ( 2.231 1.556 0.508) 2.767 15.096 ( -4.672 -4.947 0.241) 6.809 15.096 ( -4.672 4.947 0.241) 6.809 15.227 ( -6.614 -3.525 1.748) 7.696 15.227 ( -6.614 3.525 1.748) 7.696 15.415 ( -0.292 -5.037 -0.459) 5.066 15.415 ( -0.292 5.037 -0.459) 5.066 15.609 ( 3.730 -3.507 -0.382) 5.134 15.609 ( 3.730 3.507 -0.382) 5.134 15.950 ( 10.221 -5.131 0.936) 11.475 15.950 ( 10.221 5.131 0.936) 11.475 16.209 ( -2.550 -1.237 -2.926) 4.073 16.209 ( -2.550 1.237 -2.926) 4.073 16.635 ( -4.691 -3.846 3.197) 6.857 16.635 ( -4.691 3.846 3.197) 6.857 16.964 ( -12.107 -5.928 -4.646) 14.259 16.964 ( -12.107 5.928 -4.646) 14.259 17.380 ( -0.972 -9.738 -0.933) 9.830 17.380 ( -0.972 9.738 -0.933) 9.830 18.008 ( -16.215 -11.784 5.125) 20.689 18.008 ( -16.215 11.784 5.125) 20.689 18.839 ( 16.628 -10.199 -3.170) 19.763 18.839 ( 16.628 10.199 -3.170) 19.763 20.628 ( 2.735 -5.935 -1.484) 6.701 20.628 ( 2.735 5.935 -1.484) 6.701 21.404 ( 5.229 -5.307 4.098) 8.503 21.404 ( 5.229 5.307 4.098) 8.503 21.876 ( -2.220 -4.981 4.151) 6.853 21.876 ( -2.220 4.981 4.151) 6.853 22.049 ( 3.923 -6.979 -3.323) 8.668 22.049 ( 3.923 6.979 -3.323) 8.668 22.416 ( 4.664 -2.695 0.315) 5.396 22.416 ( 4.664 2.695 0.315) 5.396 22.850 ( 0.926 -11.793 1.245) 11.895 22.850 ( 0.926 11.793 1.245) 11.895 22.966 ( 1.062 -2.027 -1.346) 2.655 22.966 ( 1.062 2.027 -1.346) 2.655 23.357 ( 3.698 -7.775 1.002) 8.667 23.357 ( 3.698 7.775 1.002) 8.667 23.562 ( -1.473 -4.145 1.706) 4.718 23.562 ( -1.473 4.145 1.706) 4.718 24.204 ( -0.434 -11.386 -2.760) 11.723 24.204 ( -0.434 11.386 -2.760) 11.723 24.478 ( -0.363 -5.123 -0.043) 5.136 24.478 ( -0.363 5.123 -0.043) 5.136 25.470 ( -9.340 -4.251 0.263) 10.265 25.470 ( -9.340 4.251 0.263) 10.265 29.267 ( -1.266 -6.850 -0.782) 7.010 29.267 ( -1.266 6.850 -0.782) 7.010 29.570 ( -5.007 -3.973 1.551) 6.578 29.570 ( -5.007 3.973 1.551) 6.578 29.730 ( 1.872 -1.745 0.243) 2.571 29.730 ( 1.872 1.745 0.243) 2.571 29.892 ( -1.772 -0.112 0.800) 1.948 29.892 ( -1.772 0.112 0.800) 1.948 30.023 ( -1.756 -1.228 0.341) 2.170 30.023 ( -1.756 1.228 0.341) 2.170 30.185 ( 3.226 -0.891 -3.338) 4.727 30.185 ( 3.226 0.891 -3.338) 4.727 30.548 ( -4.220 -3.602 1.128) 5.661 30.548 ( -4.220 3.602 1.128) 5.661 30.688 ( 0.887 -3.947 -2.824) 4.934 30.688 ( 0.887 3.947 -2.824) 4.934 30.903 ( -1.493 -7.002 -1.102) 7.244 30.903 ( -1.493 7.002 -1.102) 7.244 31.626 ( -0.832 -6.449 -5.634) 8.604 31.626 ( -0.832 6.449 -5.634) 8.604 32.022 ( 11.330 -2.187 10.467) 15.579 32.022 ( 11.330 2.187 10.467) 15.579 32.119 ( -3.780 -13.955 -0.333) 14.461 32.119 ( -3.780 13.955 -0.333) 14.461 32.559 ( 0.348 -1.216 -3.594) 3.810 32.559 ( 0.348 1.216 -3.594) 3.810 33.573 ( -17.540 -2.161 2.284) 17.819 33.573 ( -17.540 2.161 2.284) 17.819 34.159 ( -2.194 -4.351 -3.534) 6.020 34.159 ( -2.194 4.351 -3.534) 6.020 34.961 ( 19.580 -9.565 2.157) 21.898 34.961 ( 19.580 9.565 2.157) 21.898 ======================= Grid point 25 (15/80) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 16.686 -12.847 5.802) 21.844 2.830 ( 16.686 12.847 5.802) 21.844 3.072 ( -1.320 -7.185 4.776) 8.728 3.072 ( -1.320 7.185 4.776) 8.728 3.475 ( 14.462 -9.394 -1.435) 17.305 3.475 ( 14.462 9.394 -1.435) 17.305 3.633 ( -9.970 -6.366 2.629) 12.118 3.633 ( -9.970 6.366 2.629) 12.118 3.769 ( 2.975 -7.147 -8.173) 11.257 3.769 ( 2.975 7.147 -8.173) 11.257 4.016 ( 3.799 -4.698 -1.095) 6.140 4.016 ( 3.799 4.698 -1.095) 6.140 4.577 ( -3.025 -6.127 -9.202) 11.462 4.577 ( -3.025 6.127 -9.202) 11.462 4.612 ( 3.894 -3.852 7.575) 9.348 4.612 ( 3.894 3.852 7.575) 9.348 4.888 ( -11.303 -9.501 10.298) 18.002 4.888 ( -11.303 9.501 10.298) 18.002 5.053 ( 5.227 -3.426 -3.054) 6.956 5.053 ( 5.227 3.426 -3.054) 6.956 5.086 ( 2.714 -6.193 -1.029) 6.839 5.086 ( 2.714 6.193 -1.029) 6.839 5.347 ( 3.962 -7.041 -0.401) 8.090 5.347 ( 3.962 7.041 -0.401) 8.090 5.488 ( 5.273 -11.212 -4.464) 13.170 5.488 ( 5.273 11.212 -4.464) 13.170 5.658 ( -1.594 -9.765 4.327) 10.799 5.658 ( -1.594 9.765 4.327) 10.799 5.750 ( 10.060 -12.550 -4.743) 16.769 5.750 ( 10.060 12.550 -4.743) 16.769 6.418 ( -8.517 -3.008 6.185) 10.948 6.418 ( -8.517 3.008 6.185) 10.948 6.667 ( -3.026 -5.232 -1.490) 6.225 6.667 ( -3.026 5.232 -1.490) 6.225 6.710 ( -2.919 -3.067 -6.129) 7.449 6.710 ( -2.919 3.067 -6.129) 7.449 7.105 ( -11.993 -22.329 2.865) 25.508 7.105 ( -11.993 22.329 2.865) 25.508 7.299 ( -5.369 -2.075 -3.173) 6.573 7.299 ( -5.369 2.075 -3.173) 6.573 7.589 ( -0.268 -1.452 3.056) 3.394 7.589 ( -0.268 1.452 3.056) 3.394 7.739 ( -5.216 -7.981 0.455) 9.545 7.739 ( -5.216 7.981 0.455) 9.545 8.022 ( -5.654 -5.092 0.940) 7.666 8.022 ( -5.654 5.092 0.940) 7.666 8.422 ( 12.199 -5.598 -4.593) 14.186 8.422 ( 12.199 5.598 -4.593) 14.186 8.907 ( 5.735 -4.078 -4.208) 8.199 8.907 ( 5.735 4.078 -4.208) 8.199 9.223 ( -5.416 -5.591 0.606) 7.808 9.223 ( -5.416 5.591 0.606) 7.808 9.663 ( -1.789 -3.594 5.795) 7.049 9.663 ( -1.789 3.594 5.795) 7.049 10.062 ( -2.125 -14.165 3.672) 14.787 10.062 ( -2.125 14.165 3.672) 14.787 10.721 ( 5.646 -4.115 -2.392) 7.385 10.721 ( 5.646 4.115 -2.392) 7.385 11.063 ( 1.641 -16.280 2.203) 16.510 11.063 ( 1.641 16.280 2.203) 16.510 11.195 ( -2.381 -15.827 -2.441) 16.190 11.195 ( -2.381 15.827 -2.441) 16.190 11.792 ( -0.126 -4.837 4.931) 6.909 11.792 ( -0.126 4.837 4.931) 6.909 12.253 ( 4.685 -4.751 -6.980) 9.656 12.253 ( 4.685 4.751 -6.980) 9.656 12.602 ( 0.293 -4.674 -0.317) 4.694 12.602 ( 0.293 4.674 -0.317) 4.694 13.211 ( 0.716 -1.837 1.613) 2.548 13.211 ( 0.716 1.837 1.613) 2.548 13.886 ( 2.972 -1.656 -1.451) 3.699 13.886 ( 2.972 1.656 -1.451) 3.699 14.381 ( 2.600 -3.299 1.531) 4.471 14.381 ( 2.600 3.299 1.531) 4.471 14.552 ( 0.420 -4.186 -0.168) 4.210 14.552 ( 0.420 4.186 -0.168) 4.210 14.782 ( -0.779 -1.092 1.175) 1.783 14.782 ( -0.779 1.092 1.175) 1.783 14.965 ( -2.894 -4.468 -4.614) 7.045 14.965 ( -2.894 4.468 -4.614) 7.045 15.133 ( -4.547 -4.872 3.985) 7.765 15.133 ( -4.547 4.872 3.985) 7.765 15.418 ( 1.827 -8.361 1.198) 8.642 15.418 ( 1.827 8.361 1.198) 8.642 15.720 ( 4.937 -6.462 -0.986) 8.191 15.720 ( 4.937 6.462 -0.986) 8.191 16.032 ( -3.680 -1.240 -1.178) 4.058 16.032 ( -3.680 1.240 -1.178) 4.058 16.246 ( 6.520 -8.439 0.081) 10.664 16.246 ( 6.520 8.439 0.081) 10.664 16.524 ( -4.555 -5.496 3.226) 7.833 16.524 ( -4.555 5.496 3.226) 7.833 16.724 ( -8.240 -4.577 -4.682) 10.525 16.724 ( -8.240 4.577 -4.682) 10.525 17.341 ( -3.002 -11.286 -2.752) 11.998 17.341 ( -3.002 11.286 -2.752) 11.998 17.699 ( -10.995 -6.062 5.017) 13.520 17.699 ( -10.995 6.062 5.017) 13.520 19.138 ( 10.296 -8.080 -2.170) 13.267 19.138 ( 10.296 8.080 -2.170) 13.267 20.692 ( 2.808 -6.385 -1.177) 7.074 20.692 ( 2.808 6.385 -1.177) 7.074 21.529 ( 4.789 -1.261 3.756) 6.215 21.529 ( 4.789 1.261 3.756) 6.215 21.836 ( -0.785 -1.599 4.892) 5.206 21.836 ( -0.785 1.599 4.892) 5.206 22.100 ( 0.834 -4.747 -5.616) 7.401 22.100 ( 0.834 4.747 -5.616) 7.401 22.543 ( 6.236 -3.629 2.785) 7.734 22.543 ( 6.236 3.629 2.785) 7.734 22.839 ( -2.608 -13.331 -0.185) 13.585 22.839 ( -2.608 13.331 -0.185) 13.585 22.974 ( 0.188 -1.981 -0.593) 2.077 22.974 ( 0.188 1.981 -0.593) 2.077 23.417 ( 0.402 -9.665 -3.085) 10.153 23.417 ( 0.402 9.665 -3.085) 10.153 23.575 ( 2.983 -6.013 5.133) 8.450 23.575 ( 2.983 6.013 5.133) 8.450 24.222 ( 1.841 -10.863 -0.728) 11.042 24.222 ( 1.841 10.863 -0.728) 11.042 24.494 ( 2.517 -0.720 -1.981) 3.283 24.494 ( 2.517 0.720 -1.981) 3.283 25.230 ( -11.653 -6.513 0.485) 13.358 25.230 ( -11.653 6.513 0.485) 13.358 29.239 ( -1.162 -7.622 -0.764) 7.747 29.239 ( -1.162 7.622 -0.764) 7.747 29.471 ( -3.716 -1.742 0.445) 4.128 29.471 ( -3.716 1.742 0.445) 4.128 29.747 ( -0.322 -1.496 1.398) 2.073 29.747 ( -0.322 1.496 1.398) 2.073 29.862 ( -0.560 -0.688 1.350) 1.615 29.862 ( -0.560 0.688 1.350) 1.615 29.975 ( -2.523 -1.233 -1.298) 3.094 29.975 ( -2.523 1.233 -1.298) 3.094 30.267 ( 4.104 -0.794 -4.216) 5.937 30.267 ( 4.104 0.794 -4.216) 5.937 30.459 ( -3.198 -3.771 2.215) 5.418 30.459 ( -3.198 3.771 2.215) 5.418 30.740 ( 2.954 -3.048 -1.953) 4.672 30.740 ( 2.954 3.048 -1.953) 4.672 30.871 ( -1.405 -2.935 -0.784) 3.347 30.871 ( -1.405 2.935 -0.784) 3.347 31.593 ( -1.687 -6.485 -2.058) 7.010 31.593 ( -1.687 6.485 -2.058) 7.010 32.004 ( -4.482 -12.286 0.355) 13.083 32.004 ( -4.482 12.286 0.355) 13.083 32.308 ( 11.500 -6.726 10.151) 16.749 32.308 ( 11.500 6.726 10.151) 16.749 32.585 ( 3.056 -6.765 -9.686) 12.203 32.585 ( 3.056 6.765 -9.686) 12.203 33.171 ( -17.845 -6.410 3.880) 19.355 33.171 ( -17.845 6.410 3.880) 19.355 34.189 ( 2.592 -7.724 -2.241) 8.450 34.189 ( 2.592 7.724 -2.241) 8.450 35.283 ( 9.998 -7.016 1.246) 12.278 35.283 ( 9.998 7.016 1.246) 12.278 ======================= Grid point 27 (16/80) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 0.000 -1.806 -0.000) 1.806 2.990 ( 0.000 1.806 0.000) 1.806 3.149 ( 0.000 -3.340 0.000) 3.340 3.149 ( 0.000 3.340 -0.000) 3.340 3.426 ( 0.000 -1.635 0.000) 1.635 3.426 ( 0.000 1.635 -0.000) 1.635 3.636 ( 0.000 -1.539 0.000) 1.539 3.636 ( 0.000 1.539 0.000) 1.539 3.871 ( 0.000 -8.211 -0.000) 8.211 3.871 ( -0.000 8.211 -0.000) 8.211 4.105 ( 0.000 -5.434 -0.000) 5.434 4.105 ( 0.000 5.434 0.000) 5.434 4.424 ( 0.000 -4.615 0.000) 4.615 4.424 ( 0.000 4.615 -0.000) 4.615 4.652 ( 0.000 -12.587 0.000) 12.587 4.652 ( 0.000 12.587 -0.000) 12.587 4.743 ( 0.000 -2.452 -0.000) 2.452 4.743 ( 0.000 2.452 -0.000) 2.452 5.129 ( 0.000 -3.567 0.000) 3.567 5.129 ( 0.000 3.567 -0.000) 3.567 5.157 ( 0.000 -3.919 -0.000) 3.919 5.157 ( 0.000 3.919 -0.000) 3.919 5.335 ( 0.000 -10.565 0.000) 10.565 5.335 ( 0.000 10.565 -0.000) 10.565 5.487 ( 0.000 -4.813 0.000) 4.813 5.487 ( 0.000 4.813 0.000) 4.813 5.881 ( 0.000 -1.360 -0.000) 1.360 5.881 ( 0.000 1.360 -0.000) 1.360 5.922 ( -0.000 -5.744 -0.000) 5.744 5.922 ( 0.000 5.744 -0.000) 5.744 6.234 ( 0.000 -25.105 0.000) 25.105 6.234 ( 0.000 25.105 -0.000) 25.105 6.571 ( -0.000 -6.639 0.000) 6.639 6.571 ( 0.000 6.639 -0.000) 6.639 6.705 ( 0.000 -1.671 -0.000) 1.671 6.705 ( -0.000 1.671 0.000) 1.671 6.887 ( 0.000 -15.949 -0.000) 15.949 6.887 ( 0.000 15.949 -0.000) 15.949 7.239 ( 0.000 -2.003 0.000) 2.003 7.239 ( 0.000 2.003 0.000) 2.003 7.583 ( 0.000 -3.278 -0.000) 3.278 7.583 ( 0.000 3.278 0.000) 3.278 7.700 ( 0.000 -5.307 -0.000) 5.307 7.700 ( 0.000 5.307 -0.000) 5.307 7.946 ( 0.000 -2.336 -0.000) 2.336 7.946 ( 0.000 2.336 -0.000) 2.336 8.651 ( 0.000 -3.407 -0.000) 3.407 8.651 ( -0.000 3.407 0.000) 3.407 8.906 ( 0.000 -13.285 0.000) 13.285 8.906 ( -0.000 13.285 0.000) 13.285 9.147 ( 0.000 -0.322 -0.000) 0.322 9.147 ( 0.000 0.322 -0.000) 0.322 9.644 ( 0.000 -3.407 0.000) 3.407 9.644 ( 0.000 3.407 0.000) 3.407 10.053 ( 0.000 -13.829 0.000) 13.829 10.053 ( 0.000 13.829 0.000) 13.829 10.776 ( 0.000 -4.329 -0.000) 4.329 10.776 ( 0.000 4.329 -0.000) 4.329 11.082 ( 0.000 -4.450 0.000) 4.450 11.082 ( 0.000 4.450 0.000) 4.450 11.176 ( 0.000 -26.603 -0.000) 26.603 11.176 ( 0.000 26.603 -0.000) 26.603 11.788 ( 0.000 -0.174 -0.000) 0.174 11.788 ( 0.000 0.174 0.000) 0.174 12.297 ( 0.000 -1.998 -0.000) 1.998 12.297 ( 0.000 1.998 -0.000) 1.998 12.621 ( 0.000 -3.354 0.000) 3.354 12.621 ( 0.000 3.354 0.000) 3.354 13.216 ( 0.000 -0.240 0.000) 0.240 13.216 ( 0.000 0.240 0.000) 0.240 13.923 ( 0.000 -0.089 -0.000) 0.089 13.923 ( 0.000 0.089 -0.000) 0.089 14.383 ( 0.000 -1.020 0.000) 1.020 14.383 ( 0.000 1.020 0.000) 1.020 14.597 ( 0.000 -4.654 -0.000) 4.654 14.597 ( 0.000 4.654 0.000) 4.654 14.729 ( 0.000 -0.631 -0.000) 0.631 14.729 ( 0.000 0.631 0.000) 0.631 14.991 ( -0.000 -8.678 0.000) 8.678 14.991 ( 0.000 8.678 -0.000) 8.678 15.042 ( -0.000 -1.773 0.000) 1.773 15.042 ( 0.000 1.773 -0.000) 1.773 15.457 ( 0.000 -10.223 0.000) 10.223 15.457 ( 0.000 10.223 0.000) 10.223 15.776 ( 0.000 -9.485 0.000) 9.485 15.776 ( 0.000 9.485 -0.000) 9.485 15.968 ( 0.000 -1.584 0.000) 1.584 15.968 ( 0.000 1.584 -0.000) 1.584 16.324 ( 0.000 -6.757 0.000) 6.757 16.324 ( 0.000 6.757 0.000) 6.757 16.474 ( 0.000 -7.059 0.000) 7.059 16.474 ( 0.000 7.059 0.000) 7.059 16.644 ( 0.000 -1.004 -0.000) 1.004 16.644 ( 0.000 1.004 -0.000) 1.004 17.284 ( 0.000 -10.996 -0.000) 10.996 17.284 ( 0.000 10.996 0.000) 10.996 17.585 ( 0.000 -2.479 0.000) 2.479 17.585 ( 0.000 2.479 0.000) 2.479 19.251 ( 0.000 -6.971 0.000) 6.971 19.251 ( 0.000 6.971 -0.000) 6.971 20.726 ( 0.000 -6.344 -0.000) 6.344 20.726 ( 0.000 6.344 -0.000) 6.344 21.574 ( 0.000 -3.589 0.000) 3.589 21.574 ( 0.000 3.589 -0.000) 3.589 21.842 ( 0.000 -4.869 -0.000) 4.869 21.842 ( 0.000 4.869 0.000) 4.869 22.103 ( 0.000 -1.716 0.000) 1.716 22.103 ( 0.000 1.716 -0.000) 1.716 22.633 ( 0.000 -2.280 0.000) 2.280 22.633 ( 0.000 2.280 -0.000) 2.280 22.781 ( 0.000 -11.957 0.000) 11.957 22.781 ( 0.000 11.957 0.000) 11.957 22.978 ( 0.000 -0.293 0.000) 0.293 22.978 ( 0.000 0.293 0.000) 0.293 23.413 ( 0.000 -5.080 -0.000) 5.080 23.413 ( 0.000 5.080 -0.000) 5.080 23.616 ( 0.000 -4.172 -0.000) 4.172 23.616 ( 0.000 4.172 0.000) 4.172 24.246 ( 0.000 -11.427 0.000) 11.427 24.246 ( 0.000 11.427 0.000) 11.427 24.552 ( 0.000 -2.424 -0.000) 2.424 24.552 ( 0.000 2.424 -0.000) 2.424 25.070 ( 0.000 -8.081 0.000) 8.081 25.070 ( 0.000 8.081 0.000) 8.081 29.225 ( 0.000 -8.198 0.000) 8.198 29.225 ( 0.000 8.198 0.000) 8.198 29.428 ( 0.000 -0.930 0.000) 0.930 29.428 ( 0.000 0.930 -0.000) 0.930 29.737 ( 0.000 -0.982 -0.000) 0.982 29.737 ( 0.000 0.982 0.000) 0.982 29.864 ( 0.000 -0.374 -0.000) 0.374 29.864 ( 0.000 0.374 -0.000) 0.374 29.939 ( 0.000 -2.423 0.000) 2.423 29.939 ( 0.000 2.423 -0.000) 2.423 30.325 ( -0.000 -1.845 0.000) 1.845 30.325 ( 0.000 1.845 -0.000) 1.845 30.419 ( 0.000 -5.944 -0.000) 5.944 30.419 ( 0.000 5.944 -0.000) 5.944 30.778 ( 0.000 -7.433 -0.000) 7.433 30.778 ( 0.000 7.433 -0.000) 7.433 30.852 ( 0.000 -2.666 -0.000) 2.666 30.852 ( 0.000 2.666 0.000) 2.666 31.572 ( 0.000 -6.284 0.000) 6.284 31.572 ( 0.000 6.284 -0.000) 6.284 31.951 ( 0.000 -12.707 -0.000) 12.707 31.951 ( 0.000 12.707 0.000) 12.707 32.433 ( 0.000 -8.077 0.000) 8.077 32.433 ( 0.000 8.077 -0.000) 8.077 32.694 ( 0.000 -6.667 0.000) 6.667 32.694 ( 0.000 6.667 0.000) 6.667 32.903 ( 0.000 -7.412 -0.000) 7.412 32.903 ( 0.000 7.412 -0.000) 7.412 34.221 ( 0.000 -8.607 0.000) 8.607 34.221 ( 0.000 8.607 -0.000) 8.607 35.389 ( 0.000 -1.573 0.000) 1.573 35.389 ( 0.000 1.573 -0.000) 1.573 ======================= Grid point 49 (17/80) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -4.299 0.000 36.016) 36.271 0.927 ( -5.523 0.000 45.693) 46.026 1.206 ( 8.221 0.000 58.705) 59.278 2.725 ( -1.386 0.000 7.339) 7.469 3.286 ( -0.145 0.000 18.593) 18.593 3.385 ( -5.754 0.000 20.874) 21.652 3.394 ( 3.035 0.000 -21.041) 21.259 3.614 ( 1.349 0.000 -2.462) 2.807 3.865 ( -1.250 0.000 2.697) 2.973 4.022 ( -1.033 0.000 -8.205) 8.270 4.032 ( 5.452 0.000 -3.378) 6.414 4.151 ( -1.231 0.000 -8.356) 8.446 4.174 ( 1.523 0.000 0.515) 1.608 4.518 ( 4.296 0.000 -11.954) 12.702 4.657 ( -1.482 0.000 -5.988) 6.169 4.691 ( -5.894 0.000 0.423) 5.909 4.700 ( 0.794 0.000 -0.795) 1.124 4.836 ( 0.640 0.000 -4.260) 4.308 4.868 ( -20.629 0.000 -16.072) 26.151 5.095 ( 6.609 0.000 -2.646) 7.119 5.203 ( 4.876 0.000 -5.401) 7.276 5.272 ( -2.413 0.000 -2.218) 3.277 5.443 ( -3.534 0.000 -8.691) 9.382 5.524 ( 9.134 0.000 -12.610) 15.571 5.681 ( 14.486 0.000 2.952) 14.783 5.705 ( -7.352 0.000 7.610) 10.581 5.794 ( 6.533 0.000 -4.434) 7.895 5.803 ( -6.207 0.000 10.256) 11.987 6.016 ( 6.325 0.000 5.420) 8.329 6.138 ( -18.725 0.000 0.419) 18.730 6.259 ( 2.927 0.000 -5.614) 6.331 6.333 ( -4.481 0.000 8.092) 9.250 6.436 ( 4.001 0.000 10.367) 11.112 6.727 ( 15.547 0.000 19.552) 24.980 6.774 ( 1.901 0.000 -21.718) 21.801 6.981 ( 0.808 0.000 -2.206) 2.349 7.266 ( -3.585 0.000 -11.224) 11.782 7.319 ( 0.068 0.000 -4.457) 4.457 7.546 ( 5.056 0.000 2.467) 5.625 7.588 ( 3.030 0.000 0.515) 3.074 7.621 ( -11.461 0.000 7.292) 13.584 7.740 ( -15.268 0.000 -7.586) 17.049 7.787 ( 12.377 0.000 5.130) 13.398 7.946 ( -0.618 0.000 1.208) 1.357 8.125 ( 4.810 0.000 -5.330) 7.180 8.317 ( -8.163 0.000 6.770) 10.605 8.379 ( -4.235 0.000 1.259) 4.419 8.440 ( 2.110 0.000 3.834) 4.376 8.717 ( 2.516 0.000 -1.163) 2.772 8.884 ( -8.186 0.000 2.794) 8.649 9.008 ( -7.309 0.000 4.670) 8.674 9.398 ( 8.172 0.000 -3.595) 8.928 9.586 ( 4.468 0.000 -0.889) 4.556 9.640 ( 0.904 0.000 0.887) 1.266 9.856 ( 6.534 0.000 -15.062) 16.418 9.867 ( 0.908 0.000 -1.409) 1.676 10.179 ( 2.315 0.000 -2.760) 3.602 10.338 ( -1.465 0.000 3.295) 3.606 10.952 ( -2.108 0.000 5.656) 6.037 11.135 ( -8.184 0.000 21.125) 22.655 11.262 ( 0.396 0.000 4.689) 4.706 11.451 ( -3.125 0.000 -5.052) 5.940 11.653 ( 4.723 0.000 -6.722) 8.215 11.852 ( 4.996 0.000 1.649) 5.261 12.239 ( -3.100 0.000 14.332) 14.663 12.333 ( -0.464 0.000 -5.167) 5.188 12.672 ( 0.491 0.000 1.326) 1.414 12.835 ( -2.330 0.000 0.211) 2.340 13.366 ( 3.197 0.000 5.351) 6.233 13.386 ( -1.259 0.000 -17.278) 17.323 13.531 ( -4.454 0.000 -7.696) 8.892 14.020 ( 1.580 0.000 0.098) 1.583 14.067 ( 3.551 0.000 -0.493) 3.585 14.106 ( 4.181 0.000 -5.334) 6.777 14.290 ( -0.063 0.000 2.632) 2.633 14.504 ( -11.860 0.000 4.872) 12.822 14.511 ( -0.633 0.000 2.522) 2.600 14.589 ( -2.972 0.000 -0.516) 3.016 14.909 ( -0.219 0.000 1.503) 1.519 14.982 ( -1.395 0.000 -3.670) 3.926 15.062 ( -4.861 0.000 -5.824) 7.586 15.292 ( 11.054 0.000 -1.650) 11.176 15.454 ( 2.923 0.000 -1.641) 3.352 15.459 ( -4.006 0.000 -0.308) 4.017 15.603 ( 12.975 0.000 3.056) 13.330 15.875 ( -0.143 0.000 2.110) 2.115 16.043 ( 0.687 0.000 -0.611) 0.920 16.259 ( 0.833 0.000 -3.776) 3.866 16.523 ( -3.753 0.000 -3.683) 5.259 16.548 ( -2.570 0.000 -3.785) 4.575 16.742 ( 11.374 0.000 -3.427) 11.879 16.869 ( -5.144 0.000 4.268) 6.684 16.921 ( -1.485 0.000 -6.112) 6.290 17.104 ( -4.263 0.000 1.878) 4.658 17.283 ( -7.036 0.000 19.025) 20.285 17.563 ( 1.344 0.000 6.121) 6.267 18.003 ( 1.289 0.000 -2.950) 3.219 18.307 ( 3.330 0.000 3.909) 5.135 18.376 ( 3.865 0.000 -3.208) 5.023 19.191 ( -6.059 0.000 -12.208) 13.629 20.746 ( -13.684 0.000 -8.941) 16.347 20.814 ( 0.559 0.000 -8.093) 8.113 21.199 ( 2.356 0.000 2.637) 3.536 21.291 ( -1.726 0.000 11.365) 11.495 21.455 ( 3.720 0.000 11.037) 11.647 21.644 ( -0.823 0.000 5.848) 5.905 21.792 ( 18.620 0.000 -0.019) 18.620 22.090 ( 0.188 0.000 -3.981) 3.986 22.323 ( -0.323 0.000 1.907) 1.934 22.497 ( 1.233 0.000 -2.129) 2.460 22.653 ( -5.918 0.000 -6.200) 8.571 22.677 ( -2.019 0.000 8.608) 8.841 22.682 ( -2.947 0.000 -4.424) 5.316 23.170 ( -5.548 0.000 1.630) 5.783 23.426 ( -0.871 0.000 -1.099) 1.402 23.489 ( -0.151 0.000 -0.934) 0.946 23.591 ( 4.537 0.000 -2.272) 5.074 23.606 ( 0.646 0.000 -0.558) 0.853 23.837 ( 30.596 0.000 8.203) 31.676 24.322 ( 1.643 0.000 3.731) 4.077 24.488 ( -1.406 0.000 -0.002) 1.406 24.682 ( -2.422 0.000 -8.340) 8.684 25.304 ( 4.125 0.000 7.019) 8.141 25.847 ( -6.303 0.000 -3.712) 7.315 28.982 ( 0.191 0.000 0.502) 0.537 29.202 ( -0.365 0.000 -4.526) 4.541 29.401 ( -0.184 0.000 3.037) 3.043 29.756 ( -4.785 0.000 -3.834) 6.131 29.769 ( 2.672 0.000 0.762) 2.779 29.839 ( 2.693 0.000 -0.421) 2.726 29.873 ( 5.626 0.000 1.318) 5.778 29.950 ( -0.604 0.000 -0.837) 1.032 30.048 ( -1.072 0.000 -0.954) 1.435 30.054 ( -0.529 0.000 7.499) 7.517 30.185 ( -1.828 0.000 -3.854) 4.265 30.208 ( 1.840 0.000 1.366) 2.292 30.327 ( -5.396 0.000 3.728) 6.559 30.522 ( -11.291 0.000 6.602) 13.080 30.523 ( -0.854 0.000 -1.278) 1.537 30.812 ( 0.194 0.000 -1.709) 1.720 31.012 ( -6.397 0.000 4.435) 7.784 31.065 ( -3.893 0.000 -3.154) 5.010 31.160 ( -2.440 0.000 -0.130) 2.444 31.400 ( -21.093 0.000 9.592) 23.172 31.713 ( -0.604 0.000 1.382) 1.508 31.998 ( 2.826 0.000 -4.855) 5.618 32.273 ( -2.918 0.000 -8.407) 8.899 32.446 ( -1.011 0.000 -17.049) 17.079 32.791 ( 0.182 0.000 9.440) 9.441 33.349 ( 6.788 0.000 12.065) 13.843 33.557 ( 12.135 0.000 -5.055) 13.146 33.947 ( -1.670 0.000 2.423) 2.943 34.176 ( -64.920 0.000 -5.101) 65.120 34.249 ( -3.146 0.000 1.930) 3.691 34.379 ( 1.262 0.000 -3.896) 4.096 34.619 ( 70.516 0.000 -3.616) 70.608 ======================= Grid point 50 (18/80) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 36.447 0.000 12.940) 38.676 1.206 ( 26.663 0.000 27.955) 38.632 2.093 ( 52.633 0.000 39.578) 65.853 2.772 ( 2.924 0.000 10.720) 11.111 3.324 ( 2.094 0.000 4.171) 4.667 3.465 ( 3.904 0.000 -11.571) 12.212 3.491 ( 16.463 0.000 21.884) 27.386 3.586 ( -3.669 0.000 -2.562) 4.475 3.682 ( -11.998 0.000 2.648) 12.286 3.934 ( -13.919 0.000 -2.193) 14.091 3.950 ( -5.237 0.000 0.119) 5.238 4.149 ( 2.875 0.000 -9.871) 10.281 4.205 ( 6.106 0.000 0.326) 6.115 4.321 ( -18.831 0.000 -3.197) 19.100 4.540 ( -9.741 0.000 -7.236) 12.134 4.617 ( 0.341 0.000 -14.064) 14.068 4.667 ( 0.876 0.000 -6.047) 6.110 4.779 ( 4.294 0.000 -5.168) 6.719 4.816 ( -0.450 0.000 -4.030) 4.055 5.080 ( -14.091 0.000 -1.729) 14.196 5.235 ( -2.600 0.000 16.951) 17.149 5.362 ( -1.081 0.000 -5.968) 6.065 5.386 ( 8.793 0.000 3.820) 9.587 5.448 ( -7.289 0.000 -1.254) 7.396 5.725 ( -1.366 0.000 -10.739) 10.826 5.750 ( -13.078 0.000 -1.731) 13.192 5.836 ( 0.373 0.000 3.464) 3.484 5.873 ( 18.604 0.000 -0.007) 18.604 5.992 ( 2.576 0.000 -12.413) 12.677 6.234 ( 0.635 0.000 2.967) 3.034 6.305 ( 18.037 0.000 2.313) 18.184 6.462 ( 10.357 0.000 -2.637) 10.687 6.530 ( 4.023 0.000 8.544) 9.443 6.732 ( -4.388 0.000 -16.975) 17.533 6.819 ( -4.756 0.000 15.144) 15.874 6.951 ( -21.953 0.000 -5.382) 22.603 7.051 ( 4.441 0.000 -1.346) 4.640 7.292 ( -4.185 0.000 -0.849) 4.270 7.337 ( -9.092 0.000 -6.517) 11.187 7.454 ( -5.707 0.000 -7.591) 9.497 7.582 ( -0.392 0.000 -1.271) 1.330 7.656 ( -9.206 0.000 15.105) 17.689 7.923 ( 1.429 0.000 1.183) 1.855 7.944 ( -4.443 0.000 -4.311) 6.191 8.127 ( 9.101 0.000 -0.693) 9.127 8.196 ( -2.304 0.000 1.895) 2.983 8.542 ( -5.877 0.000 10.465) 12.002 8.557 ( 7.138 0.000 -2.284) 7.495 8.666 ( 0.563 0.000 -4.036) 4.075 8.806 ( 2.881 0.000 -12.805) 13.125 8.998 ( 9.793 0.000 8.939) 13.259 9.328 ( -6.714 0.000 -2.938) 7.329 9.550 ( -5.051 0.000 11.011) 12.115 9.605 ( -2.530 0.000 2.064) 3.266 9.980 ( -0.261 0.000 -2.140) 2.155 10.039 ( 8.631 0.000 -11.551) 14.419 10.214 ( 0.226 0.000 -4.191) 4.197 10.439 ( 11.962 0.000 1.087) 12.012 10.904 ( -1.969 0.000 4.040) 4.494 10.941 ( -10.195 0.000 23.768) 25.862 11.246 ( -0.338 0.000 0.857) 0.922 11.521 ( 8.946 0.000 -8.431) 12.293 11.692 ( -0.715 0.000 -1.311) 1.494 12.008 ( 8.265 0.000 2.118) 8.532 12.183 ( -2.560 0.000 15.739) 15.946 12.314 ( -1.214 0.000 -5.328) 5.464 12.622 ( -4.714 0.000 1.801) 5.046 12.810 ( 0.033 0.000 -1.326) 1.326 13.361 ( -0.717 0.000 -14.240) 14.258 13.465 ( -0.741 0.000 -12.925) 12.946 13.515 ( 9.821 0.000 7.951) 12.637 14.085 ( -2.147 0.000 3.381) 4.005 14.100 ( 4.360 0.000 5.756) 7.221 14.231 ( 5.515 0.000 -6.055) 8.190 14.298 ( 0.984 0.000 1.473) 1.772 14.455 ( 2.932 0.000 -7.164) 7.740 14.491 ( -1.178 0.000 1.705) 2.072 14.618 ( 4.211 0.000 -3.388) 5.405 14.941 ( -6.111 0.000 -4.002) 7.305 14.964 ( 2.496 0.000 -1.182) 2.762 14.992 ( 3.520 0.000 -1.651) 3.888 15.300 ( -9.787 0.000 -1.337) 9.878 15.471 ( -1.338 0.000 -2.971) 3.259 15.505 ( 7.247 0.000 -0.647) 7.275 15.797 ( -5.975 0.000 2.680) 6.548 15.838 ( 7.791 0.000 -0.994) 7.855 16.048 ( -0.991 0.000 -0.310) 1.038 16.273 ( 0.677 0.000 -2.109) 2.215 16.366 ( -8.864 0.000 3.289) 9.454 16.577 ( 8.129 0.000 -9.528) 12.524 16.651 ( -9.188 0.000 5.419) 10.667 16.789 ( -8.403 0.000 -4.265) 9.423 16.907 ( -6.101 0.000 10.708) 12.324 17.068 ( -0.591 0.000 -1.924) 2.012 17.181 ( -3.214 0.000 1.371) 3.495 17.537 ( -3.396 0.000 6.064) 6.950 17.921 ( -3.562 0.000 13.445) 13.909 18.303 ( -8.985 0.000 1.102) 9.052 18.471 ( 13.336 0.000 2.579) 13.583 19.160 ( 2.340 0.000 -16.181) 16.349 20.477 ( -6.064 0.000 3.084) 6.803 20.836 ( 1.352 0.000 -4.375) 4.579 21.220 ( -1.145 0.000 7.968) 8.050 21.322 ( 8.781 0.000 3.432) 9.428 21.483 ( 1.425 0.000 8.019) 8.145 21.794 ( 10.763 0.000 6.145) 12.394 21.836 ( -1.607 0.000 -0.130) 1.612 22.068 ( -1.942 0.000 -1.541) 2.479 22.311 ( -1.135 0.000 1.010) 1.519 22.511 ( -0.024 0.000 1.757) 1.757 22.648 ( -1.164 0.000 5.994) 6.106 22.683 ( 2.523 0.000 -8.496) 8.863 22.885 ( 8.948 0.000 -4.420) 9.980 23.097 ( -2.015 0.000 4.779) 5.186 23.405 ( -0.755 0.000 -0.972) 1.231 23.454 ( -1.642 0.000 -1.663) 2.337 23.556 ( -3.718 0.000 -0.796) 3.802 23.659 ( 4.418 0.000 -1.086) 4.550 24.096 ( -8.116 0.000 0.978) 8.175 24.453 ( -1.641 0.000 -1.840) 2.465 24.610 ( -4.149 0.000 -8.710) 9.648 24.722 ( 24.351 0.000 -9.603) 26.177 25.313 ( -3.237 0.000 9.277) 9.825 25.613 ( -11.990 0.000 -2.449) 12.237 28.979 ( -0.527 0.000 0.531) 0.748 29.141 ( -3.126 0.000 -3.699) 4.843 29.425 ( 1.959 0.000 1.761) 2.634 29.662 ( -3.435 0.000 -3.128) 4.645 29.736 ( -3.710 0.000 15.033) 15.484 29.822 ( -0.913 0.000 1.650) 1.886 29.885 ( -2.722 0.000 0.017) 2.722 29.986 ( -0.385 0.000 2.335) 2.366 30.015 ( -1.152 0.000 0.173) 1.165 30.026 ( 4.762 0.000 -2.069) 5.192 30.139 ( 1.448 0.000 -4.928) 5.136 30.217 ( -0.910 0.000 3.681) 3.792 30.312 ( 0.959 0.000 2.211) 2.410 30.447 ( 0.982 0.000 2.428) 2.619 30.499 ( -1.263 0.000 -2.627) 2.915 30.850 ( 3.237 0.000 -1.384) 3.521 30.905 ( 3.038 0.000 10.682) 11.106 31.070 ( -4.563 0.000 -0.898) 4.651 31.081 ( -0.014 0.000 -1.769) 1.769 31.294 ( 2.157 0.000 7.343) 7.653 31.739 ( 3.728 0.000 -0.480) 3.759 32.007 ( -5.129 0.000 -7.886) 9.408 32.166 ( -0.841 0.000 -4.007) 4.094 32.500 ( 1.082 0.000 -12.379) 12.426 32.756 ( -1.087 0.000 4.127) 4.267 33.248 ( -19.556 0.000 15.998) 25.266 33.430 ( -18.331 0.000 -2.544) 18.507 33.451 ( 0.658 0.000 12.528) 12.545 33.887 ( -0.959 0.000 1.638) 1.898 34.324 ( 7.803 0.000 1.479) 7.942 34.609 ( 18.036 0.000 -7.742) 19.628 35.624 ( 16.513 0.000 -26.573) 31.286 ======================= Grid point 51 (19/80) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 35.370 0.000 8.110) 36.288 1.895 ( 34.975 0.000 10.102) 36.404 2.598 ( -10.231 0.000 11.774) 15.598 3.122 ( 17.811 0.000 22.993) 29.084 3.402 ( -8.369 0.000 0.054) 8.369 3.437 ( -14.442 0.000 -1.626) 14.534 3.479 ( -4.804 0.000 1.659) 5.082 3.632 ( 26.877 0.000 1.541) 26.921 3.669 ( -6.952 0.000 -3.108) 7.615 3.890 ( 9.003 0.000 -2.247) 9.279 3.896 ( -15.393 0.000 -2.741) 15.635 3.945 ( 18.544 0.000 14.700) 23.664 4.130 ( -11.188 0.000 -12.361) 16.672 4.308 ( -1.231 0.000 -2.682) 2.951 4.363 ( 7.076 0.000 -9.008) 11.455 4.639 ( -0.178 0.000 -8.699) 8.701 4.742 ( -1.167 0.000 0.700) 1.360 4.803 ( -1.568 0.000 0.674) 1.707 4.857 ( -2.894 0.000 -4.381) 5.250 4.866 ( 6.662 0.000 -3.860) 7.700 5.038 ( -0.811 0.000 7.212) 7.258 5.266 ( -3.937 0.000 2.013) 4.422 5.369 ( -12.679 0.000 1.115) 12.728 5.611 ( 8.162 0.000 -4.394) 9.269 5.634 ( -4.013 0.000 5.397) 6.726 5.674 ( 0.079 0.000 -11.445) 11.445 5.768 ( -1.425 0.000 0.047) 1.426 5.950 ( -10.850 0.000 -6.538) 12.667 6.214 ( -23.221 0.000 -5.947) 23.970 6.262 ( 9.200 0.000 7.830) 12.081 6.297 ( 8.127 0.000 -12.451) 14.868 6.553 ( -0.406 0.000 4.087) 4.108 6.579 ( -1.820 0.000 -6.183) 6.445 6.736 ( 7.526 0.000 -4.075) 8.558 6.747 ( 6.792 0.000 6.060) 9.102 6.940 ( 14.182 0.000 16.799) 21.985 7.032 ( -9.671 0.000 1.717) 9.822 7.138 ( -4.677 0.000 6.970) 8.394 7.257 ( 0.263 0.000 -6.283) 6.289 7.364 ( -3.109 0.000 -5.732) 6.521 7.432 ( -6.247 0.000 0.413) 6.261 7.540 ( -3.743 0.000 -2.656) 4.589 7.723 ( -14.601 0.000 -5.801) 15.711 7.954 ( -0.114 0.000 -1.160) 1.165 8.130 ( -2.481 0.000 4.979) 5.563 8.240 ( -11.801 0.000 1.014) 11.845 8.461 ( 17.104 0.000 -2.040) 17.225 8.588 ( -0.491 0.000 -11.404) 11.415 8.781 ( 0.014 0.000 8.481) 8.481 8.975 ( 10.325 0.000 -9.495) 14.027 9.239 ( 9.856 0.000 7.217) 12.216 9.245 ( 0.245 0.000 -4.525) 4.531 9.482 ( -1.321 0.000 8.621) 8.722 9.557 ( -2.564 0.000 0.154) 2.568 9.863 ( -7.053 0.000 -0.894) 7.110 10.119 ( -3.369 0.000 -11.875) 12.344 10.235 ( 4.371 0.000 2.016) 4.814 10.622 ( 1.913 0.000 3.376) 3.880 10.738 ( -8.061 0.000 20.455) 21.986 10.921 ( 3.908 0.000 0.219) 3.914 11.276 ( 2.992 0.000 -0.997) 3.154 11.643 ( -3.686 0.000 3.630) 5.173 11.789 ( 14.571 0.000 -8.083) 16.662 12.059 ( -4.312 0.000 18.776) 19.265 12.247 ( 9.164 0.000 0.321) 9.170 12.273 ( -2.797 0.000 -4.769) 5.528 12.506 ( -5.352 0.000 2.079) 5.742 12.809 ( -1.034 0.000 -2.032) 2.280 13.350 ( 0.346 0.000 -10.074) 10.080 13.512 ( 4.501 0.000 -18.745) 19.278 13.737 ( 8.702 0.000 10.344) 13.518 14.001 ( -4.342 0.000 5.501) 7.008 14.163 ( 1.178 0.000 7.670) 7.760 14.323 ( 1.860 0.000 2.293) 2.952 14.334 ( 1.871 0.000 0.136) 1.876 14.472 ( -0.193 0.000 -0.050) 0.199 14.516 ( 3.593 0.000 -14.151) 14.600 14.741 ( 7.737 0.000 -3.797) 8.618 14.806 ( -6.066 0.000 -1.019) 6.151 14.957 ( -3.592 0.000 -5.030) 6.181 15.077 ( -9.658 0.000 -3.609) 10.310 15.129 ( 8.029 0.000 -1.786) 8.225 15.452 ( 1.237 0.000 -7.341) 7.444 15.537 ( -4.022 0.000 -1.554) 4.312 15.714 ( -1.194 0.000 4.018) 4.192 15.941 ( -8.214 0.000 -1.475) 8.346 16.000 ( 7.217 0.000 5.744) 9.224 16.270 ( 0.206 0.000 6.679) 6.682 16.325 ( 5.049 0.000 -0.203) 5.053 16.422 ( -12.873 0.000 4.730) 13.714 16.564 ( -7.857 0.000 -6.046) 9.914 16.586 ( -18.318 0.000 12.963) 22.440 16.872 ( 13.119 0.000 -6.092) 14.464 17.058 ( 1.418 0.000 -8.017) 8.142 17.172 ( 1.292 0.000 4.887) 5.054 17.446 ( -4.821 0.000 5.885) 7.607 17.931 ( 2.051 0.000 9.138) 9.365 18.071 ( -11.692 0.000 4.806) 12.641 18.748 ( 9.962 0.000 -0.761) 9.991 19.229 ( 3.891 0.000 -13.532) 14.080 20.464 ( 3.457 0.000 2.351) 4.181 20.855 ( 0.255 0.000 -1.689) 1.708 21.216 ( -0.230 0.000 2.455) 2.466 21.519 ( 5.940 0.000 2.975) 6.643 21.574 ( 8.075 0.000 3.845) 8.944 21.791 ( -3.626 0.000 -2.725) 4.535 21.984 ( 5.158 0.000 2.065) 5.557 22.042 ( 0.082 0.000 3.460) 3.461 22.258 ( -3.596 0.000 0.498) 3.630 22.479 ( -3.140 0.000 6.169) 6.922 22.647 ( 1.697 0.000 4.323) 4.644 22.706 ( -0.651 0.000 -11.461) 11.479 22.977 ( 1.173 0.000 1.529) 1.927 23.099 ( 2.439 0.000 8.860) 9.189 23.392 ( -0.547 0.000 0.734) 0.915 23.434 ( -2.879 0.000 2.765) 3.992 23.501 ( 1.981 0.000 -6.098) 6.412 23.801 ( 7.968 0.000 -1.820) 8.173 23.932 ( -6.014 0.000 2.514) 6.519 24.421 ( -1.308 0.000 -4.162) 4.363 24.530 ( -1.738 0.000 -7.655) 7.850 25.076 ( 8.481 0.000 -5.795) 10.272 25.185 ( -8.317 0.000 10.104) 13.087 25.365 ( -8.875 0.000 -3.110) 9.404 28.964 ( -0.687 0.000 0.303) 0.751 29.105 ( -0.546 0.000 -5.974) 5.998 29.449 ( 0.203 0.000 3.756) 3.761 29.621 ( -0.234 0.000 -2.583) 2.593 29.759 ( 3.212 0.000 7.929) 8.555 29.815 ( 0.105 0.000 0.935) 0.941 29.829 ( -2.092 0.000 -0.100) 2.094 29.962 ( -1.084 0.000 -0.192) 1.101 29.981 ( -1.151 0.000 -1.604) 1.974 30.069 ( -2.084 0.000 0.948) 2.290 30.158 ( -0.191 0.000 1.489) 1.501 30.211 ( 0.840 0.000 3.627) 3.723 30.295 ( -1.393 0.000 -0.803) 1.608 30.476 ( -0.485 0.000 -3.867) 3.897 30.531 ( 5.838 0.000 2.249) 6.256 30.935 ( 4.049 0.000 -0.810) 4.129 30.971 ( 1.780 0.000 11.068) 11.211 31.000 ( -1.835 0.000 0.344) 1.867 31.063 ( -1.189 0.000 0.277) 1.221 31.344 ( 1.082 0.000 4.734) 4.856 31.865 ( -5.304 0.000 -8.103) 9.684 31.905 ( 11.483 0.000 -6.228) 13.063 32.201 ( 2.489 0.000 -1.825) 3.087 32.416 ( -6.739 0.000 -3.400) 7.548 32.800 ( 3.561 0.000 -8.195) 8.935 32.907 ( -16.454 0.000 5.635) 17.393 33.123 ( -7.755 0.000 3.275) 8.418 33.383 ( -5.443 0.000 5.648) 7.844 33.937 ( 3.815 0.000 6.182) 7.264 34.498 ( 7.181 0.000 3.820) 8.134 34.997 ( 17.038 0.000 -11.230) 20.406 35.691 ( -5.051 0.000 -12.890) 13.844 ======================= Grid point 52 (20/80) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -24.921 0.000 5.397) 25.499 2.561 ( 25.816 0.000 15.487) 30.105 2.636 ( 32.647 0.000 -3.266) 32.810 2.873 ( -33.352 0.000 12.872) 35.750 3.150 ( -8.038 0.000 3.738) 8.865 3.361 ( 5.301 0.000 5.960) 7.976 3.409 ( -0.402 0.000 -0.036) 0.404 3.569 ( -4.742 0.000 5.987) 7.638 3.719 ( -2.915 0.000 -17.233) 17.477 3.771 ( -1.189 0.000 -1.171) 1.669 3.894 ( -3.423 0.000 -12.812) 13.261 4.044 ( -7.571 0.000 7.921) 10.957 4.448 ( 5.598 0.000 5.318) 7.721 4.471 ( 6.875 0.000 -10.579) 12.617 4.566 ( 3.084 0.000 -4.950) 5.832 4.642 ( -2.945 0.000 6.796) 7.407 4.724 ( 11.150 0.000 0.011) 11.150 4.796 ( -14.419 0.000 -1.422) 14.489 4.876 ( 4.332 0.000 -1.275) 4.516 4.988 ( 12.474 0.000 -1.504) 12.565 5.184 ( 3.008 0.000 4.256) 5.212 5.188 ( -11.211 0.000 2.587) 11.505 5.221 ( 3.594 0.000 -16.629) 17.013 5.332 ( 14.045 0.000 3.276) 14.422 5.515 ( -8.019 0.000 13.370) 15.590 5.522 ( -8.470 0.000 -9.817) 12.966 5.865 ( 9.530 0.000 0.772) 9.561 5.882 ( -1.729 0.000 -1.950) 2.606 6.061 ( 1.057 0.000 -6.580) 6.664 6.179 ( -8.743 0.000 4.295) 9.741 6.484 ( 0.023 0.000 -14.298) 14.298 6.514 ( -2.319 0.000 -2.316) 3.277 6.600 ( 7.204 0.000 3.914) 8.198 6.800 ( -2.668 0.000 9.864) 10.218 6.818 ( -8.757 0.000 3.068) 9.279 6.914 ( 6.917 0.000 -5.115) 8.603 7.051 ( -4.060 0.000 3.458) 5.333 7.142 ( -13.540 0.000 3.582) 14.006 7.217 ( -3.104 0.000 -0.849) 3.219 7.307 ( 8.654 0.000 6.868) 11.048 7.409 ( 1.328 0.000 -7.214) 7.335 7.464 ( 0.358 0.000 -4.332) 4.347 7.615 ( 8.842 0.000 -1.300) 8.937 7.978 ( 3.565 0.000 2.948) 4.626 8.028 ( -3.017 0.000 -4.682) 5.570 8.184 ( 1.974 0.000 8.500) 8.726 8.612 ( 4.205 0.000 -13.366) 14.012 8.686 ( -5.848 0.000 2.483) 6.353 8.734 ( 6.020 0.000 -5.472) 8.135 9.112 ( 0.694 0.000 2.104) 2.216 9.284 ( 1.570 0.000 0.271) 1.593 9.326 ( -6.616 0.000 1.890) 6.881 9.478 ( 0.109 0.000 4.604) 4.605 9.523 ( 4.137 0.000 -8.893) 9.808 9.748 ( -3.131 0.000 -2.115) 3.778 10.006 ( -6.080 0.000 -1.728) 6.321 10.335 ( 3.463 0.000 9.896) 10.484 10.607 ( -1.446 0.000 3.068) 3.392 10.642 ( 0.369 0.000 5.867) 5.879 10.997 ( 2.228 0.000 0.079) 2.230 11.353 ( 3.837 0.000 -1.615) 4.163 11.547 ( -5.020 0.000 8.338) 9.732 11.952 ( -5.295 0.000 15.008) 15.915 12.033 ( 3.272 0.000 -4.687) 5.716 12.209 ( 0.448 0.000 -4.523) 4.545 12.427 ( -1.487 0.000 1.700) 2.259 12.427 ( 4.797 0.000 3.537) 5.960 12.776 ( 0.371 0.000 -3.042) 3.064 13.370 ( 1.365 0.000 -11.740) 11.819 13.612 ( 4.306 0.000 -15.541) 16.127 13.762 ( -6.479 0.000 8.570) 10.743 13.970 ( -0.239 0.000 5.247) 5.252 14.158 ( -1.853 0.000 4.507) 4.872 14.298 ( -3.074 0.000 2.073) 3.708 14.347 ( -0.636 0.000 -0.341) 0.722 14.491 ( 1.397 0.000 -1.078) 1.765 14.612 ( 4.659 0.000 -5.780) 7.425 14.732 ( 0.080 0.000 1.677) 1.679 14.835 ( -5.242 0.000 -4.748) 7.072 14.953 ( 11.392 0.000 -3.294) 11.859 14.955 ( 0.111 0.000 -5.215) 5.216 15.276 ( 2.311 0.000 -1.796) 2.927 15.436 ( -5.563 0.000 -14.237) 15.285 15.479 ( 0.695 0.000 0.116) 0.704 15.670 ( -3.345 0.000 0.928) 3.471 15.814 ( 0.411 0.000 0.106) 0.424 16.043 ( -12.802 0.000 2.863) 13.118 16.197 ( -0.472 0.000 3.890) 3.918 16.300 ( -3.816 0.000 14.535) 15.028 16.358 ( 6.970 0.000 6.018) 9.208 16.376 ( -4.429 0.000 -3.072) 5.390 16.537 ( 8.761 0.000 1.496) 8.888 16.983 ( 1.056 0.000 -7.410) 7.485 17.220 ( 3.124 0.000 9.340) 9.848 17.223 ( 1.245 0.000 1.922) 2.290 17.406 ( 9.335 0.000 -7.180) 11.777 17.827 ( -10.728 0.000 8.821) 13.889 17.948 ( -1.087 0.000 5.307) 5.417 18.841 ( -1.619 0.000 -3.191) 3.578 19.322 ( 4.913 0.000 -8.473) 9.795 20.582 ( 6.421 0.000 6.706) 9.284 20.846 ( -0.956 0.000 -1.799) 2.037 21.197 ( -1.479 0.000 -0.263) 1.503 21.538 ( -3.861 0.000 -2.829) 4.787 21.678 ( -6.068 0.000 -5.660) 8.298 21.714 ( 0.620 0.000 6.952) 6.980 21.987 ( -2.751 0.000 -2.118) 3.472 22.062 ( 1.016 0.000 4.487) 4.601 22.221 ( 1.348 0.000 -1.153) 1.773 22.404 ( -3.276 0.000 6.222) 7.031 22.699 ( 1.522 0.000 -8.677) 8.810 22.721 ( 4.351 0.000 7.260) 8.464 22.965 ( -1.799 0.000 0.494) 1.865 23.159 ( 0.651 0.000 7.522) 7.550 23.381 ( 0.470 0.000 3.490) 3.522 23.383 ( -0.196 0.000 1.252) 1.267 23.594 ( 4.390 0.000 -0.457) 4.414 23.853 ( -1.017 0.000 0.680) 1.224 23.894 ( -1.402 0.000 -2.393) 2.774 24.426 ( 2.516 0.000 -2.725) 3.709 24.592 ( 8.318 0.000 -6.913) 10.815 24.907 ( -17.316 0.000 -16.659) 24.029 24.989 ( -9.421 0.000 8.797) 12.890 25.449 ( 10.399 0.000 5.011) 11.544 28.955 ( -0.114 0.000 0.137) 0.178 29.106 ( 0.702 0.000 -7.138) 7.172 29.445 ( -0.480 0.000 5.401) 5.422 29.642 ( 1.795 0.000 -1.821) 2.557 29.787 ( -0.198 0.000 0.627) 0.657 29.814 ( 0.939 0.000 0.492) 1.060 29.830 ( 0.544 0.000 3.009) 3.057 29.960 ( -1.115 0.000 -0.828) 1.389 30.001 ( 4.615 0.000 0.936) 4.709 30.019 ( -0.684 0.000 1.400) 1.558 30.105 ( -3.961 0.000 1.861) 4.377 30.197 ( -2.675 0.000 -0.070) 2.676 30.275 ( -1.070 0.000 3.215) 3.388 30.489 ( 1.541 0.000 -2.860) 3.249 30.671 ( 6.670 0.000 1.861) 6.925 30.966 ( -0.964 0.000 -1.027) 1.408 30.989 ( -0.402 0.000 13.512) 13.518 31.012 ( 2.108 0.000 2.123) 2.992 31.045 ( 0.064 0.000 0.749) 0.752 31.353 ( 0.749 0.000 4.296) 4.361 31.821 ( 1.561 0.000 -6.040) 6.239 32.168 ( 11.635 0.000 -10.317) 15.551 32.222 ( -2.797 0.000 -6.001) 6.621 32.337 ( 2.912 0.000 2.278) 3.697 32.566 ( -14.224 0.000 4.577) 14.942 32.848 ( 0.521 0.000 -14.222) 14.232 33.072 ( 2.219 0.000 4.877) 5.358 33.266 ( -5.084 0.000 3.830) 6.365 33.998 ( 1.310 0.000 7.685) 7.796 34.599 ( 1.751 0.000 6.097) 6.344 35.297 ( 9.802 0.000 -14.515) 17.515 35.496 ( -11.339 0.000 -8.155) 13.966 ======================= Grid point 53 (21/80) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -33.980 0.000 4.645) 34.296 2.106 ( -36.627 0.000 21.465) 42.453 2.890 ( -12.951 0.000 14.993) 19.812 3.052 ( 10.012 0.000 23.103) 25.179 3.218 ( 16.533 0.000 -19.799) 25.794 3.427 ( -9.130 0.000 -3.778) 9.881 3.439 ( 1.123 0.000 -5.059) 5.182 3.535 ( 9.243 0.000 4.233) 10.166 3.672 ( -22.284 0.000 4.579) 22.749 3.759 ( -9.494 0.000 5.445) 10.944 3.788 ( 8.345 0.000 -8.037) 11.586 3.959 ( -8.059 0.000 4.815) 9.387 4.001 ( 11.396 0.000 -9.441) 14.799 4.357 ( -14.539 0.000 -10.476) 17.920 4.450 ( 1.689 0.000 -2.998) 3.441 4.708 ( -2.304 0.000 -9.689) 9.959 4.754 ( 5.456 0.000 9.271) 10.758 4.861 ( 10.626 0.000 0.950) 10.668 5.006 ( -7.454 0.000 9.161) 11.810 5.024 ( 5.825 0.000 4.765) 7.525 5.107 ( -5.423 0.000 -9.977) 11.355 5.285 ( -4.408 0.000 -6.549) 7.894 5.388 ( 2.489 0.000 -6.855) 7.293 5.438 ( 10.178 0.000 -0.828) 10.211 5.624 ( 18.285 0.000 12.834) 22.339 5.694 ( -2.434 0.000 -2.859) 3.755 5.945 ( -6.460 0.000 0.755) 6.504 6.031 ( 4.737 0.000 -2.413) 5.316 6.067 ( 14.942 0.000 -8.949) 17.417 6.092 ( 4.413 0.000 7.164) 8.415 6.407 ( -6.249 0.000 -7.070) 9.436 6.424 ( -5.570 0.000 -15.443) 16.416 6.547 ( -12.461 0.000 -1.521) 12.553 6.731 ( -2.047 0.000 11.824) 11.999 6.797 ( 8.224 0.000 3.419) 8.907 6.863 ( -6.665 0.000 6.806) 9.526 6.942 ( -3.626 0.000 -2.255) 4.270 7.065 ( 5.717 0.000 -5.137) 7.686 7.210 ( 2.752 0.000 1.669) 3.218 7.362 ( 0.671 0.000 0.400) 0.781 7.434 ( 1.722 0.000 -2.797) 3.284 7.617 ( 8.079 0.000 -3.406) 8.768 7.835 ( 5.389 0.000 -2.839) 6.091 8.087 ( 5.524 0.000 3.863) 6.741 8.131 ( 10.396 0.000 6.960) 12.511 8.263 ( 10.622 0.000 -3.526) 11.192 8.606 ( -13.604 0.000 -0.126) 13.604 8.612 ( -1.571 0.000 1.817) 2.402 8.782 ( 2.928 0.000 -10.824) 11.213 9.019 ( -6.506 0.000 7.069) 9.607 9.120 ( -6.951 0.000 -1.777) 7.174 9.257 ( -4.807 0.000 -0.082) 4.807 9.478 ( 0.523 0.000 5.984) 6.007 9.629 ( 1.812 0.000 -7.392) 7.611 9.758 ( 4.203 0.000 -4.383) 6.072 9.869 ( -5.311 0.000 -0.543) 5.339 10.281 ( -7.277 0.000 11.506) 13.614 10.565 ( -3.313 0.000 -0.213) 3.320 10.831 ( 14.932 0.000 -2.336) 15.113 11.017 ( -0.231 0.000 3.025) 3.034 11.412 ( -2.586 0.000 4.616) 5.291 11.463 ( 1.214 0.000 5.111) 5.253 11.852 ( -3.970 0.000 9.570) 10.361 11.887 ( -11.541 0.000 -2.313) 11.771 12.299 ( 3.044 0.000 -4.363) 5.321 12.408 ( -4.205 0.000 7.754) 8.821 12.469 ( 5.488 0.000 1.395) 5.662 12.863 ( 4.657 0.000 -2.689) 5.377 13.392 ( 0.815 0.000 -15.125) 15.147 13.566 ( -10.198 0.000 4.194) 11.027 13.666 ( 0.710 0.000 -8.766) 8.795 13.931 ( -1.523 0.000 2.916) 3.290 14.085 ( -4.339 0.000 2.071) 4.808 14.211 ( -4.988 0.000 -0.841) 5.058 14.325 ( -1.400 0.000 1.235) 1.867 14.508 ( 0.325 0.000 0.865) 0.924 14.694 ( 2.787 0.000 -1.073) 2.987 14.811 ( 2.959 0.000 -0.794) 3.064 14.819 ( 8.001 0.000 -0.747) 8.036 15.062 ( 7.140 0.000 -5.385) 8.943 15.097 ( -13.465 0.000 0.028) 13.465 15.157 ( 2.866 0.000 -3.229) 4.317 15.331 ( -1.775 0.000 -7.774) 7.974 15.517 ( -1.407 0.000 -3.009) 3.321 15.652 ( 5.526 0.000 2.952) 6.265 15.732 ( -11.363 0.000 -7.824) 13.796 15.968 ( 6.779 0.000 1.026) 6.856 16.115 ( 0.474 0.000 -0.555) 0.730 16.281 ( -3.559 0.000 -1.029) 3.705 16.459 ( 9.648 0.000 11.298) 14.857 16.567 ( 12.069 0.000 7.538) 14.229 16.738 ( 8.201 0.000 1.583) 8.353 16.958 ( -7.646 0.000 -4.888) 9.074 17.149 ( 1.305 0.000 -1.984) 2.374 17.313 ( 5.300 0.000 13.194) 14.219 17.579 ( -5.770 0.000 12.391) 13.669 17.805 ( 16.188 0.000 -8.523) 18.295 17.889 ( -3.739 0.000 3.623) 5.207 18.687 ( -11.941 0.000 -5.268) 13.051 19.408 ( 1.980 0.000 -5.222) 5.584 20.704 ( 4.657 0.000 15.244) 15.939 20.821 ( -1.075 0.000 -5.470) 5.575 21.151 ( -2.945 0.000 -2.820) 4.078 21.379 ( -9.151 0.000 -3.555) 9.817 21.577 ( -2.508 0.000 -6.366) 6.842 21.581 ( -9.704 0.000 11.543) 15.080 21.921 ( -5.020 0.000 -3.282) 5.997 22.074 ( 0.245 0.000 0.263) 0.359 22.289 ( 3.317 0.000 0.883) 3.432 22.374 ( 1.349 0.000 0.576) 1.466 22.760 ( 2.011 0.000 -6.035) 6.361 22.788 ( 0.711 0.000 10.634) 10.658 22.927 ( 0.018 0.000 1.711) 1.711 23.133 ( -1.379 0.000 7.403) 7.531 23.388 ( 0.821 0.000 0.457) 0.940 23.446 ( 3.639 0.000 1.522) 3.944 23.644 ( 0.580 0.000 4.386) 4.424 23.779 ( -7.200 0.000 -2.717) 7.696 23.883 ( 1.767 0.000 -4.007) 4.379 24.485 ( 2.193 0.000 -2.499) 3.325 24.496 ( -19.011 0.000 -18.876) 26.790 24.810 ( -4.329 0.000 -0.869) 4.416 24.860 ( 12.352 0.000 2.888) 12.685 25.666 ( 9.286 0.000 3.978) 10.102 28.959 ( 0.487 0.000 0.136) 0.506 29.130 ( 1.626 0.000 -7.140) 7.323 29.432 ( -0.821 0.000 6.194) 6.248 29.683 ( 2.139 0.000 -0.574) 2.215 29.774 ( -1.020 0.000 -0.011) 1.020 29.832 ( -0.862 0.000 2.825) 2.953 29.854 ( 1.953 0.000 1.851) 2.691 29.958 ( 0.721 0.000 -1.919) 2.050 30.038 ( 1.798 0.000 -0.862) 1.994 30.040 ( -0.467 0.000 1.658) 1.722 30.098 ( 2.392 0.000 3.729) 4.430 30.125 ( -2.650 0.000 -1.308) 2.955 30.257 ( 0.738 0.000 1.661) 1.818 30.520 ( 1.152 0.000 -1.362) 1.784 30.787 ( 3.186 0.000 5.259) 6.149 30.921 ( -3.365 0.000 -1.838) 3.834 30.946 ( -2.897 0.000 8.115) 8.616 31.062 ( 3.130 0.000 3.163) 4.450 31.083 ( 2.815 0.000 1.213) 3.066 31.421 ( 6.104 0.000 7.675) 9.807 31.906 ( 4.967 0.000 -5.427) 7.357 32.162 ( -1.048 0.000 -6.062) 6.151 32.213 ( -10.108 0.000 -4.991) 11.273 32.474 ( 8.755 0.000 5.200) 10.183 32.474 ( 8.010 0.000 1.823) 8.215 32.804 ( -4.418 0.000 -15.689) 16.299 33.191 ( -1.278 0.000 5.629) 5.772 33.223 ( 11.934 0.000 3.881) 12.549 33.993 ( -1.568 0.000 6.586) 6.770 34.566 ( -4.836 0.000 7.201) 8.675 35.135 ( -17.733 0.000 -4.364) 18.262 35.471 ( 1.470 0.000 -23.292) 23.338 ======================= Grid point 54 (22/80) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -24.865 0.000 20.449) 32.194 1.367 ( -31.195 0.000 33.657) 45.890 2.047 ( -56.610 0.000 35.032) 66.572 2.882 ( -12.952 0.000 5.220) 13.964 3.303 ( 1.377 0.000 21.159) 21.204 3.336 ( 2.478 0.000 -22.400) 22.537 3.516 ( -4.484 0.000 11.755) 12.581 3.538 ( 5.299 0.000 -2.619) 5.911 3.807 ( 4.791 0.000 5.448) 7.256 3.848 ( 13.178 0.000 -6.525) 14.705 3.996 ( 8.542 0.000 7.648) 11.465 4.015 ( 11.340 0.000 -8.710) 14.299 4.091 ( -7.507 0.000 -12.823) 14.858 4.285 ( 13.769 0.000 -5.683) 14.896 4.591 ( 10.023 0.000 -0.968) 10.069 4.675 ( -1.333 0.000 -6.390) 6.527 4.806 ( -0.327 0.000 0.561) 0.649 4.861 ( -10.104 0.000 -6.280) 11.897 4.864 ( 2.023 0.000 -7.293) 7.568 5.071 ( -2.659 0.000 -1.609) 3.108 5.164 ( 11.194 0.000 -2.128) 11.395 5.358 ( 8.372 0.000 -9.929) 12.987 5.412 ( -7.613 0.000 -2.513) 8.017 5.471 ( 2.456 0.000 -1.677) 2.974 5.705 ( 0.746 0.000 1.220) 1.430 5.791 ( -11.769 0.000 -4.694) 12.671 5.805 ( -5.115 0.000 2.659) 5.765 6.016 ( -11.549 0.000 12.920) 17.330 6.040 ( -5.480 0.000 -2.670) 6.096 6.102 ( 12.836 0.000 7.919) 15.083 6.289 ( -6.222 0.000 -11.316) 12.914 6.403 ( -0.036 0.000 0.108) 0.113 6.471 ( 0.952 0.000 5.248) 5.333 6.612 ( -8.129 0.000 12.699) 15.078 6.761 ( -3.653 0.000 -13.220) 13.715 7.007 ( -0.685 0.000 -4.153) 4.210 7.082 ( 20.148 0.000 -5.467) 20.876 7.263 ( 9.517 0.000 -3.595) 10.174 7.341 ( 14.256 0.000 2.166) 14.420 7.403 ( 3.332 0.000 2.174) 3.979 7.496 ( 4.248 0.000 5.394) 6.866 7.729 ( 3.645 0.000 -5.876) 6.915 7.932 ( 5.156 0.000 -3.875) 6.450 8.131 ( -23.072 0.000 4.618) 23.530 8.211 ( 2.924 0.000 3.442) 4.516 8.225 ( -0.447 0.000 -0.154) 0.473 8.501 ( -7.013 0.000 4.160) 8.154 8.690 ( -9.476 0.000 -4.214) 10.371 8.745 ( 22.878 0.000 -3.574) 23.155 8.834 ( -11.481 0.000 8.060) 14.027 9.119 ( 0.137 0.000 2.124) 2.128 9.166 ( 0.106 0.000 -0.841) 0.848 9.514 ( 2.556 0.000 5.540) 6.101 9.584 ( -0.517 0.000 0.349) 0.624 9.820 ( -0.832 0.000 -14.477) 14.501 9.864 ( 3.528 0.000 -7.206) 8.023 10.162 ( -2.065 0.000 4.075) 4.568 10.445 ( -7.263 0.000 0.615) 7.289 10.994 ( -1.781 0.000 5.695) 5.967 11.141 ( 11.556 0.000 3.411) 12.049 11.291 ( -6.752 0.000 13.553) 15.141 11.546 ( 4.425 0.000 -3.362) 5.558 11.628 ( -11.451 0.000 -2.627) 11.749 11.802 ( -0.279 0.000 4.395) 4.404 12.317 ( -4.181 0.000 10.929) 11.701 12.332 ( 0.693 0.000 -4.484) 4.537 12.601 ( 5.584 0.000 1.275) 5.728 12.889 ( -1.813 0.000 0.133) 1.818 13.389 ( -5.289 0.000 3.126) 6.144 13.399 ( 0.064 0.000 -16.966) 16.966 13.634 ( -3.680 0.000 -6.319) 7.313 13.968 ( 4.504 0.000 -0.602) 4.544 14.019 ( -1.224 0.000 3.252) 3.475 14.111 ( -3.508 0.000 -5.566) 6.580 14.298 ( -0.832 0.000 2.612) 2.741 14.515 ( 0.212 0.000 2.078) 2.089 14.711 ( -2.950 0.000 -1.842) 3.478 14.750 ( -9.813 0.000 2.590) 10.149 14.969 ( -0.261 0.000 0.853) 0.892 15.034 ( 10.777 0.000 -1.093) 10.833 15.047 ( -4.638 0.000 -5.651) 7.310 15.147 ( 0.078 0.000 -8.273) 8.274 15.427 ( 5.522 0.000 0.751) 5.573 15.480 ( -9.670 0.000 -8.468) 12.854 15.486 ( 0.052 0.000 -1.207) 1.208 15.807 ( 6.084 0.000 3.233) 6.889 16.025 ( 0.872 0.000 -1.456) 1.698 16.241 ( 0.093 0.000 -2.165) 2.167 16.321 ( 14.757 0.000 -1.118) 14.799 16.617 ( 4.599 0.000 5.261) 6.988 16.711 ( -12.059 0.000 -1.706) 12.179 16.824 ( 9.561 0.000 7.448) 12.120 16.875 ( 4.504 0.000 -1.129) 4.644 17.197 ( -1.432 0.000 -4.948) 5.151 17.405 ( 0.042 0.000 15.778) 15.778 17.507 ( 1.280 0.000 12.182) 12.249 17.872 ( 5.039 0.000 2.859) 5.794 18.159 ( 14.816 0.000 -7.218) 16.480 18.388 ( -13.060 0.000 -3.901) 13.630 19.359 ( -6.614 0.000 -6.456) 9.243 20.810 ( 0.124 0.000 -9.724) 9.725 20.815 ( 5.416 0.000 13.921) 14.937 21.110 ( 2.651 0.000 3.648) 4.509 21.221 ( -4.501 0.000 -0.364) 4.516 21.421 ( -3.524 0.000 14.094) 14.528 21.561 ( 0.811 0.000 -2.595) 2.719 21.769 ( -8.051 0.000 0.942) 8.106 22.084 ( 0.663 0.000 -2.898) 2.972 22.322 ( 0.451 0.000 2.222) 2.267 22.447 ( 3.665 0.000 -3.576) 5.121 22.717 ( -3.759 0.000 -5.688) 6.818 22.746 ( -3.934 0.000 11.209) 11.879 22.972 ( -2.078 0.000 0.926) 2.275 23.168 ( 6.855 0.000 9.011) 11.322 23.419 ( 1.538 0.000 -0.023) 1.538 23.501 ( 1.437 0.000 -0.678) 1.589 23.596 ( -11.484 0.000 -10.999) 15.901 23.645 ( -4.423 0.000 -1.866) 4.800 23.743 ( -10.147 0.000 -6.582) 12.095 24.271 ( 0.461 0.000 -0.532) 0.704 24.506 ( -0.143 0.000 -0.363) 0.390 24.727 ( -2.290 0.000 -4.644) 5.178 25.137 ( 11.034 0.000 3.728) 11.647 25.830 ( 5.521 0.000 1.162) 5.641 28.972 ( 0.635 0.000 0.277) 0.693 29.172 ( 2.213 0.000 -5.893) 6.295 29.414 ( -0.906 0.000 5.594) 5.667 29.741 ( -1.231 0.000 2.894) 3.145 29.750 ( 4.308 0.000 -0.593) 4.349 29.813 ( -0.058 0.000 1.144) 1.146 29.857 ( -2.714 0.000 -0.361) 2.738 29.953 ( -0.089 0.000 -0.656) 0.662 30.061 ( 0.020 0.000 -2.958) 2.958 30.072 ( -0.272 0.000 7.482) 7.486 30.113 ( 3.110 0.000 -1.298) 3.370 30.145 ( 3.517 0.000 1.037) 3.666 30.322 ( 3.534 0.000 -1.378) 3.793 30.533 ( 0.006 0.000 -0.783) 0.783 30.740 ( -7.273 0.000 10.021) 12.382 30.844 ( -3.002 0.000 -1.891) 3.547 30.955 ( 3.530 0.000 -0.442) 3.557 31.129 ( 0.730 0.000 0.421) 0.843 31.143 ( 3.461 0.000 2.254) 4.130 31.593 ( 7.307 0.000 4.890) 8.792 31.956 ( -14.619 0.000 -4.670) 15.347 31.966 ( 0.810 0.000 -6.502) 6.552 32.208 ( 4.917 0.000 -7.378) 8.867 32.575 ( -3.861 0.000 -13.376) 13.922 32.727 ( 2.383 0.000 3.763) 4.454 32.825 ( 29.372 0.000 22.065) 36.737 33.224 ( 3.990 0.000 7.892) 8.843 33.583 ( 22.463 0.000 4.855) 22.982 33.959 ( -1.038 0.000 4.103) 4.232 34.410 ( -9.080 0.000 5.931) 10.845 34.720 ( -19.796 0.000 -2.431) 19.945 35.283 ( -24.132 0.000 -37.783) 44.832 ======================= Grid point 55 (23/80) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.335 32.522 22.820) 39.731 1.187 ( 9.087 32.708 25.878) 42.686 2.016 ( -4.572 59.886 37.239) 70.668 2.807 ( -0.354 7.502 4.152) 8.581 3.314 ( -0.175 2.172 11.023) 11.236 3.364 ( -5.005 2.328 3.839) 6.724 3.547 ( 1.958 8.751 2.687) 9.361 3.596 ( 1.804 0.394 -3.497) 3.955 3.826 ( -2.274 -3.206 0.254) 3.939 3.957 ( 2.192 -10.280 -4.901) 11.598 4.012 ( 1.207 -2.489 -11.661) 11.985 4.066 ( 2.703 -4.567 5.852) 7.900 4.169 ( -0.339 2.967 -3.109) 4.311 4.377 ( -2.033 -18.396 1.132) 18.543 4.507 ( 5.977 -3.985 -5.351) 8.958 4.601 ( -2.727 -5.489 -11.963) 13.442 4.701 ( -2.269 -2.074 -2.927) 4.244 4.800 ( -8.988 -0.975 -7.371) 11.665 4.875 ( 1.062 3.266 -2.474) 4.233 5.040 ( 3.631 -8.351 -6.580) 11.235 5.148 ( 3.897 -2.003 -5.154) 6.765 5.288 ( -1.547 -4.956 -3.821) 6.447 5.397 ( 0.574 -4.626 -8.687) 9.858 5.541 ( 0.352 -3.729 5.682) 6.805 5.620 ( 4.051 -2.905 5.719) 7.587 5.668 ( 0.480 -3.005 -4.056) 5.071 5.781 ( -8.420 2.415 1.965) 8.977 5.824 ( -0.180 9.595 0.723) 9.624 6.096 ( 0.626 -1.305 -3.440) 3.732 6.182 ( 2.821 6.044 16.834) 18.107 6.317 ( 1.709 5.727 3.565) 6.959 6.371 ( -2.515 1.811 10.308) 10.764 6.556 ( 3.368 10.690 0.753) 11.233 6.702 ( 9.954 -2.581 4.236) 11.121 6.851 ( -2.977 3.371 -20.511) 20.998 6.984 ( -5.690 -1.568 -0.121) 5.904 7.180 ( 3.708 -8.288 -3.301) 9.661 7.324 ( -3.653 0.309 -5.883) 6.932 7.485 ( 5.240 -2.472 2.315) 6.239 7.565 ( -1.754 -2.883 0.264) 3.385 7.636 ( -7.867 2.102 5.984) 10.105 7.699 ( -16.677 -2.359 -4.364) 17.399 7.780 ( 9.858 -1.372 3.195) 10.453 7.913 ( 3.295 -2.469 4.231) 5.903 8.072 ( 6.497 -7.192 -3.731) 10.385 8.258 ( -1.399 -9.498 3.376) 10.177 8.370 ( 1.605 0.444 7.531) 7.713 8.464 ( -10.484 6.332 2.392) 12.480 8.724 ( 1.729 1.756 -2.838) 3.758 8.910 ( -7.877 0.699 -0.594) 7.930 9.185 ( -2.410 12.740 1.115) 13.014 9.350 ( 7.148 -4.544 -2.260) 8.766 9.569 ( 5.195 1.746 -0.511) 5.504 9.716 ( 1.375 4.440 -2.444) 5.252 9.810 ( 6.376 -3.463 -5.275) 8.971 9.946 ( 1.857 6.638 -11.739) 13.613 10.245 ( -0.660 6.416 -2.305) 6.849 10.366 ( 0.106 3.706 0.605) 3.756 10.949 ( -1.585 -1.736 9.461) 9.748 11.060 ( -5.445 -5.039 13.529) 15.430 11.296 ( 1.817 3.453 -0.718) 3.968 11.465 ( -2.329 1.788 0.369) 2.959 11.611 ( 2.312 -5.386 -5.324) 7.918 11.913 ( 2.182 5.323 2.481) 6.265 12.165 ( -1.496 -6.921 7.757) 10.503 12.352 ( -1.459 0.513 0.893) 1.786 12.666 ( -0.055 -0.494 1.182) 1.282 12.798 ( -1.743 -3.524 1.103) 4.084 13.220 ( 1.130 -7.594 -5.610) 9.508 13.409 ( -0.005 -5.428 -8.192) 9.827 13.550 ( -2.602 3.880 -4.756) 6.667 13.887 ( 2.532 -7.753 1.182) 8.241 14.112 ( -1.319 1.326 -7.377) 7.610 14.149 ( 4.473 3.487 -4.158) 7.032 14.428 ( 0.847 9.127 -3.702) 9.885 14.453 ( -2.031 -1.691 0.881) 2.786 14.651 ( -3.820 7.687 0.481) 8.597 14.666 ( -5.234 6.923 0.909) 8.726 14.884 ( -1.160 -0.464 4.673) 4.837 14.979 ( 0.092 1.329 -3.994) 4.210 15.110 ( -1.332 4.025 -1.806) 4.608 15.288 ( 4.282 -0.491 -1.832) 4.683 15.373 ( 0.012 -3.437 -0.517) 3.476 15.515 ( 0.480 1.032 -2.384) 2.642 15.564 ( 8.336 -3.062 4.250) 9.845 15.865 ( -0.390 -0.982 1.673) 1.979 16.004 ( 2.048 -3.605 -0.684) 4.202 16.294 ( 0.917 0.998 -4.108) 4.326 16.372 ( -1.693 -12.669 -2.895) 13.105 16.480 ( 1.629 -9.143 -1.027) 9.343 16.738 ( 2.990 -0.824 -0.636) 3.167 16.750 ( -2.360 -2.393 -2.383) 4.120 16.978 ( -8.380 -3.717 4.065) 10.028 17.071 ( -5.702 2.035 -1.682) 6.283 17.464 ( -2.970 1.715 14.351) 14.755 17.560 ( 5.613 11.826 1.796) 13.213 17.856 ( 1.246 -10.240 6.973) 12.451 18.337 ( 3.639 3.208 3.026) 5.717 18.412 ( 3.709 2.874 -2.438) 5.287 19.086 ( -6.388 -11.361 -11.888) 17.641 20.566 ( -5.514 -2.753 4.829) 7.830 20.933 ( 0.448 -10.359 -0.407) 10.377 21.102 ( 1.200 3.305 -2.338) 4.222 21.419 ( -1.894 8.091 -6.183) 10.357 21.636 ( 9.142 11.712 6.591) 16.253 21.689 ( -2.075 4.822 4.312) 6.793 21.833 ( 9.546 1.762 1.378) 9.804 22.131 ( -2.024 5.951 -4.784) 7.899 22.286 ( 0.228 -2.780 1.783) 3.311 22.482 ( 0.654 -3.282 -0.600) 3.400 22.630 ( -1.700 0.666 0.179) 1.835 22.715 ( -7.955 4.818 -7.066) 11.680 22.793 ( 1.392 6.729 -0.563) 6.895 23.173 ( -3.129 -0.905 -0.587) 3.310 23.314 ( 10.973 -11.657 13.916) 21.212 23.407 ( 3.946 -6.785 -2.098) 8.124 23.542 ( -2.091 0.340 -1.634) 2.676 23.583 ( 1.435 2.190 0.080) 2.619 23.881 ( 2.261 9.362 8.202) 12.650 24.320 ( 1.470 0.239 2.580) 2.979 24.471 ( -1.503 -1.868 0.179) 2.404 24.749 ( -0.275 -0.711 -3.297) 3.384 25.391 ( 4.298 5.683 -2.861) 7.679 25.764 ( -4.444 -6.233 -0.781) 7.695 29.184 ( -0.223 -0.929 -3.342) 3.476 29.233 ( 3.201 14.728 -10.763) 18.520 29.466 ( -1.636 6.352 2.108) 6.890 29.667 ( -0.322 -8.453 1.868) 8.663 29.773 ( -0.929 0.283 -2.810) 2.973 29.796 ( 1.510 -3.410 0.232) 3.736 29.882 ( 4.509 0.315 0.044) 4.521 29.933 ( -0.269 -0.999 -0.957) 1.409 30.038 ( 0.368 -0.180 0.830) 0.926 30.101 ( -0.635 1.207 3.117) 3.402 30.150 ( -1.565 -0.497 0.469) 1.708 30.234 ( 1.174 0.518 0.330) 1.325 30.393 ( -2.664 5.401 0.579) 6.050 30.544 ( -0.835 2.922 -0.302) 3.054 30.590 ( -8.797 5.719 4.768) 11.525 30.794 ( -0.177 -1.813 -1.835) 2.586 30.889 ( -3.278 -8.126 5.252) 10.216 31.114 ( -3.960 6.206 -1.241) 7.466 31.165 ( -6.099 -1.128 0.108) 6.203 31.561 ( -9.708 12.118 2.105) 15.669 31.741 ( -2.108 2.921 0.714) 3.672 31.951 ( 5.184 -4.413 -2.025) 7.103 32.237 ( -1.710 -4.591 -2.171) 5.359 32.379 ( 7.999 -6.984 -4.092) 11.380 32.515 ( -2.262 -10.163 8.568) 13.484 33.166 ( 4.527 -14.958 7.284) 17.242 33.661 ( 6.033 6.060 -0.957) 8.604 33.872 ( -3.282 -2.542 4.427) 6.069 34.237 ( -13.124 0.680 -1.634) 13.243 34.345 ( -24.067 2.978 -6.748) 25.172 34.385 ( -1.137 2.669 -3.422) 4.487 34.660 ( 40.191 1.251 -6.820) 40.785 ======================= Grid point 56 (24/80) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 27.904 31.613 8.354) 42.986 1.650 ( 24.452 32.704 18.602) 44.872 2.422 ( 36.292 34.256 30.621) 58.551 2.888 ( 5.390 12.159 7.535) 15.286 3.282 ( -2.657 -1.617 2.184) 3.801 3.480 ( 16.173 -0.849 11.347) 19.775 3.556 ( -4.948 -3.508 3.584) 7.045 3.616 ( 3.312 9.527 -3.392) 10.641 3.692 ( -6.577 2.354 -0.712) 7.022 3.943 ( -8.584 -2.752 -4.155) 9.926 3.980 ( -2.706 -2.865 -12.622) 13.223 4.033 ( -1.831 -1.678 5.872) 6.376 4.177 ( 4.112 -0.035 -3.935) 5.692 4.319 ( -5.958 -8.953 0.591) 10.770 4.485 ( -2.993 -2.203 -8.328) 9.120 4.572 ( -6.273 0.983 -12.261) 13.807 4.640 ( 1.518 -4.965 -8.248) 9.746 4.741 ( 0.005 3.817 -0.823) 3.905 4.839 ( -0.632 1.891 -3.491) 4.020 5.151 ( -6.490 -3.095 -5.005) 8.760 5.220 ( 3.739 -1.574 7.049) 8.133 5.275 ( -5.193 -4.949 4.360) 8.395 5.319 ( 5.438 -8.226 -3.964) 10.628 5.447 ( -4.732 0.283 -2.770) 5.491 5.631 ( -0.523 -5.395 0.812) 5.481 5.725 ( 1.976 -9.421 -10.174) 14.006 5.855 ( 1.825 -4.939 -0.067) 5.266 5.887 ( 8.514 4.036 2.979) 9.882 5.925 ( -8.290 5.984 4.341) 11.107 6.244 ( -3.485 2.091 8.191) 9.144 6.351 ( 7.863 4.562 0.345) 9.097 6.433 ( 9.485 -2.700 1.788) 10.023 6.642 ( -0.724 6.554 6.822) 9.488 6.768 ( -0.438 1.967 -11.333) 11.511 6.807 ( -2.039 -0.587 3.512) 4.103 6.967 ( 0.681 -5.368 2.071) 5.793 7.032 ( -16.541 7.583 -7.282) 19.599 7.234 ( -1.666 -6.479 -1.185) 6.794 7.334 ( -9.904 -6.545 0.584) 11.886 7.391 ( -6.678 -2.839 0.820) 7.302 7.488 ( -3.135 0.640 -10.572) 11.046 7.728 ( 3.034 1.196 6.116) 6.931 7.910 ( -4.278 -4.531 -1.477) 6.404 7.956 ( -1.808 3.031 3.132) 4.719 8.112 ( 6.656 -1.350 -1.589) 6.975 8.229 ( -4.109 2.950 0.019) 5.058 8.401 ( 5.112 -13.120 0.888) 14.108 8.462 ( 1.821 -4.347 12.100) 12.985 8.692 ( -7.261 -1.313 -5.507) 9.208 8.831 ( 5.892 2.327 -8.970) 10.981 9.190 ( 4.203 15.517 2.719) 16.305 9.339 ( -3.360 -2.109 -2.060) 4.470 9.539 ( -4.045 1.527 7.632) 8.771 9.667 ( -3.843 6.224 1.250) 7.421 9.952 ( -0.617 -2.450 -0.324) 2.547 10.099 ( 8.041 5.195 -13.968) 16.934 10.265 ( 2.589 5.082 -3.695) 6.796 10.467 ( 9.928 3.116 -0.172) 10.407 10.859 ( -6.852 -3.710 18.767) 20.320 10.964 ( -2.927 2.547 7.110) 8.100 11.304 ( -0.188 4.716 -0.010) 4.720 11.518 ( 6.489 -0.721 -6.586) 9.274 11.643 ( 1.280 -3.672 -0.564) 3.930 12.001 ( 5.240 -1.082 0.980) 5.439 12.146 ( -0.476 -3.891 11.657) 12.299 12.319 ( -1.700 -0.405 -1.799) 2.508 12.607 ( -4.746 -1.020 1.565) 5.100 12.779 ( 0.009 -3.192 -0.273) 3.204 13.258 ( 2.057 -7.218 -8.669) 11.467 13.401 ( -0.888 -6.085 -10.014) 11.751 13.583 ( 6.500 4.603 0.909) 8.016 13.956 ( 2.609 -8.094 3.878) 9.347 14.125 ( 2.764 1.022 -2.777) 4.049 14.278 ( 6.101 3.107 -6.693) 9.574 14.419 ( -0.632 8.604 -1.645) 8.783 14.440 ( 0.500 -1.924 0.011) 1.988 14.589 ( -0.998 11.256 -2.799) 11.641 14.665 ( 2.278 2.778 -1.803) 4.019 14.871 ( -1.777 -0.755 0.123) 1.934 14.974 ( 0.147 0.634 -2.869) 2.942 15.069 ( -1.524 4.016 -0.382) 4.312 15.295 ( -5.651 -0.718 -1.568) 5.908 15.432 ( 6.086 -4.161 2.105) 7.668 15.496 ( -2.952 -0.556 -3.996) 4.999 15.758 ( 4.690 -3.355 2.977) 6.489 15.790 ( -0.557 -3.569 2.151) 4.204 16.042 ( -0.060 -0.262 -0.198) 0.333 16.286 ( -1.479 0.171 -1.086) 1.843 16.378 ( 0.841 -5.496 -6.037) 8.207 16.488 ( -0.678 -7.634 -1.045) 7.735 16.640 ( -3.282 -2.003 4.987) 6.297 16.726 ( -7.823 -6.930 -1.791) 10.603 16.821 ( -2.208 -4.542 3.425) 6.102 16.925 ( -5.499 0.420 -2.226) 5.947 17.298 ( -12.573 1.325 10.011) 16.126 17.595 ( -2.732 6.469 0.407) 7.034 17.848 ( -1.156 -6.124 11.889) 13.424 18.299 ( -9.557 -0.325 2.666) 9.927 18.546 ( 12.816 6.170 2.295) 14.408 19.086 ( 5.080 -7.738 -15.510) 18.062 20.478 ( -1.532 2.004 3.265) 4.126 20.928 ( -0.508 -4.041 -0.490) 4.102 21.190 ( 5.996 6.190 -2.736) 9.042 21.403 ( 3.610 6.863 4.801) 9.120 21.574 ( -2.344 8.038 5.003) 9.754 21.893 ( 7.346 5.906 5.883) 11.112 21.915 ( 1.057 6.366 -1.568) 6.641 22.086 ( -0.785 4.645 -1.577) 4.968 22.275 ( -1.371 -3.312 1.407) 3.851 22.489 ( 0.715 -2.478 -0.243) 2.591 22.624 ( -0.088 0.021 4.431) 4.432 22.736 ( 3.270 4.140 -7.762) 9.385 22.905 ( 6.195 1.873 -3.492) 7.354 23.131 ( -0.964 1.080 2.259) 2.683 23.316 ( -3.392 -2.766 3.455) 5.576 23.492 ( -1.918 2.159 -0.504) 2.932 23.609 ( 2.108 -5.621 -1.986) 6.324 23.628 ( 4.676 0.342 -1.887) 5.054 23.983 ( 1.695 -3.936 4.011) 5.870 24.423 ( 6.505 -5.459 0.977) 8.548 24.447 ( 2.875 -3.470 -1.299) 4.690 24.714 ( -0.432 -3.747 -1.076) 3.923 25.367 ( -5.834 2.810 1.221) 6.589 25.588 ( -10.430 -2.508 -2.448) 11.003 29.119 ( -5.164 1.673 -2.079) 5.812 29.229 ( -2.787 14.451 -9.357) 17.441 29.458 ( 0.765 2.776 1.469) 3.232 29.621 ( -2.519 -4.246 -0.721) 4.989 29.734 ( -3.609 -1.434 8.940) 9.747 29.784 ( 0.415 -1.487 -0.064) 1.545 29.916 ( -3.059 1.425 1.408) 3.657 29.953 ( 0.855 -2.455 -0.783) 2.715 30.010 ( -2.271 0.014 1.280) 2.607 30.064 ( 2.466 2.290 1.256) 3.592 30.139 ( 1.130 0.185 -4.014) 4.174 30.209 ( -1.982 -0.820 4.029) 4.564 30.353 ( 0.088 4.656 3.293) 5.703 30.485 ( -1.548 4.068 0.316) 4.365 30.535 ( -0.094 3.415 -0.949) 3.546 30.792 ( 0.787 -5.186 4.411) 6.854 30.856 ( 1.351 -3.402 0.329) 3.676 31.023 ( -0.628 2.083 2.895) 3.621 31.261 ( 6.311 5.021 -2.603) 8.474 31.416 ( -4.683 14.784 3.065) 15.808 31.727 ( 1.411 -0.717 -0.596) 1.691 32.023 ( -2.155 1.873 -5.861) 6.520 32.163 ( -0.377 -0.368 -3.255) 3.297 32.458 ( -0.602 -4.083 -7.042) 8.162 32.586 ( 7.141 -12.106 5.363) 15.044 33.141 ( -8.046 -16.356 1.854) 18.321 33.415 ( -22.700 9.291 9.102) 26.163 33.604 ( -9.083 5.427 5.589) 11.966 33.935 ( -3.204 4.297 0.233) 5.365 34.292 ( 7.025 -3.138 1.143) 7.778 34.649 ( 17.644 4.035 -6.993) 19.404 35.436 ( 19.899 -15.649 -16.579) 30.261 ======================= Grid point 57 (25/80) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 29.589 18.339 7.852) 35.686 2.221 ( 28.415 28.441 6.800) 40.774 2.699 ( -11.395 10.915 7.328) 17.398 3.208 ( 1.939 3.499 11.159) 11.854 3.354 ( 0.152 -3.244 2.929) 4.374 3.384 ( 8.352 1.804 5.662) 10.250 3.500 ( -6.103 3.260 -5.324) 8.730 3.714 ( -11.105 6.383 0.326) 12.813 3.827 ( -6.508 -1.827 -4.445) 8.090 3.926 ( 9.057 0.197 -0.320) 9.065 3.933 ( 16.785 19.121 0.029) 25.443 4.048 ( 8.910 4.539 4.730) 11.062 4.098 ( 2.140 -1.415 -4.776) 5.422 4.276 ( -0.758 -2.802 -0.139) 2.906 4.427 ( 4.722 7.700 -7.089) 11.482 4.529 ( 1.693 -10.031 -10.591) 14.686 4.636 ( -4.619 -0.716 -5.200) 6.992 4.806 ( -0.183 -0.934 2.104) 2.309 4.840 ( 4.758 1.512 -0.162) 4.995 4.985 ( -7.469 2.895 -0.558) 8.029 5.058 ( 1.510 2.411 4.401) 5.240 5.282 ( -4.619 0.588 2.801) 5.434 5.366 ( -7.187 -2.904 0.178) 7.754 5.474 ( 3.324 -12.660 -4.834) 13.953 5.639 ( -2.136 2.285 -2.239) 3.846 5.677 ( -1.939 -1.426 -6.202) 6.652 5.739 ( -2.178 -1.153 7.656) 8.043 5.852 ( 1.602 -8.340 -5.957) 10.374 6.215 ( -4.399 -4.143 0.491) 6.063 6.260 ( -17.106 -2.278 -4.117) 17.741 6.262 ( 8.288 -0.578 7.727) 11.346 6.391 ( -5.558 -2.891 -5.627) 8.421 6.621 ( -1.351 -3.236 -3.711) 5.106 6.719 ( 5.749 -1.852 2.808) 6.661 6.823 ( 2.917 0.831 5.968) 6.694 6.951 ( 9.256 -2.161 9.354) 13.336 6.994 ( -5.581 1.442 0.438) 5.781 7.110 ( -3.824 -0.089 6.303) 7.373 7.233 ( -2.381 -7.387 -2.265) 8.085 7.311 ( 1.055 2.258 -7.673) 8.068 7.465 ( 0.799 4.743 -8.990) 10.195 7.624 ( -8.352 3.601 1.390) 9.201 7.787 ( -9.949 4.446 -4.846) 11.926 7.879 ( -3.634 -4.277 0.902) 5.685 8.101 ( -2.741 -5.006 6.560) 8.695 8.255 ( -6.594 2.568 -1.883) 7.322 8.378 ( 7.420 -11.284 3.286) 13.899 8.602 ( 5.333 -0.934 -4.862) 7.277 8.681 ( 3.794 -2.023 -2.365) 4.907 8.967 ( 7.654 -2.822 -4.924) 9.528 9.266 ( -3.194 -4.720 -2.876) 6.383 9.307 ( 3.918 6.042 5.329) 8.958 9.521 ( 2.326 6.712 1.561) 7.273 9.587 ( -3.904 5.625 3.402) 7.646 9.846 ( -5.905 -0.846 1.079) 6.062 10.164 ( -2.117 4.693 -14.157) 15.064 10.338 ( 5.049 8.516 0.512) 9.914 10.642 ( 3.102 1.609 2.292) 4.179 10.707 ( -6.690 -1.118 20.296) 21.399 10.958 ( 2.545 3.399 1.548) 4.520 11.321 ( 1.806 3.122 -1.332) 3.845 11.573 ( -1.871 -6.444 2.082) 7.026 11.791 ( 11.656 0.800 -4.480) 12.513 12.048 ( -2.698 -1.684 13.395) 13.767 12.200 ( 5.991 -3.996 -1.705) 7.400 12.282 ( -1.093 -0.814 -1.759) 2.225 12.503 ( -3.998 0.362 1.874) 4.430 12.781 ( -0.636 -2.937 -0.979) 3.161 13.297 ( 1.625 -5.038 -8.547) 10.054 13.405 ( 1.856 -8.325 -11.598) 14.397 13.764 ( 8.077 1.798 3.957) 9.172 13.976 ( -0.576 -2.624 3.522) 4.430 14.185 ( 1.985 2.340 3.074) 4.343 14.376 ( 2.054 3.994 -0.948) 4.590 14.403 ( -2.185 2.281 4.078) 5.158 14.480 ( 4.894 4.718 -6.835) 9.639 14.567 ( -0.289 6.236 -6.675) 9.140 14.756 ( 5.059 -0.011 -2.687) 5.728 14.793 ( -3.316 0.754 -2.042) 3.967 14.949 ( -3.995 -1.691 -5.442) 6.960 15.019 ( -3.409 -1.652 -2.823) 4.724 15.233 ( 0.877 6.051 1.203) 6.232 15.414 ( -2.856 -4.923 -5.823) 8.143 15.513 ( 0.346 -1.107 -2.078) 2.380 15.674 ( -1.461 -2.547 3.812) 4.811 15.946 ( -2.579 -0.399 0.093) 2.612 15.997 ( 4.091 -0.349 2.893) 5.023 16.273 ( 0.421 -3.420 5.647) 6.615 16.322 ( -3.332 2.538 3.880) 5.710 16.406 ( -6.629 -2.901 3.217) 7.919 16.491 ( -11.010 -1.135 -0.607) 11.085 16.720 ( -8.600 5.094 4.770) 11.076 16.797 ( 13.363 -9.428 -3.996) 16.835 16.924 ( 6.190 -9.827 -5.850) 13.004 17.044 ( -8.610 -5.921 3.929) 11.164 17.479 ( -6.927 1.061 1.840) 7.246 17.858 ( 0.915 -5.860 9.927) 11.564 18.048 ( -12.217 -3.121 5.834) 13.894 18.823 ( 10.232 6.778 -0.683) 12.292 19.215 ( 6.370 -2.034 -12.701) 14.353 20.508 ( 3.691 4.298 3.016) 6.418 20.916 ( -0.623 0.658 1.987) 2.184 21.300 ( 3.111 11.131 -5.068) 12.620 21.557 ( 7.473 -0.362 4.185) 8.573 21.566 ( 2.264 4.718 3.611) 6.358 21.852 ( -5.168 5.115 -4.363) 8.480 22.005 ( 2.563 -1.203 4.454) 5.278 22.127 ( 2.828 9.808 1.248) 10.283 22.217 ( -4.037 -2.642 -0.048) 4.825 22.494 ( -1.163 2.090 3.027) 3.858 22.644 ( 2.967 0.176 4.865) 5.701 22.760 ( -1.338 4.682 -10.629) 11.691 22.991 ( 2.069 1.128 0.906) 2.525 23.141 ( 2.233 2.398 8.826) 9.415 23.238 ( -3.204 -6.669 1.014) 7.467 23.469 ( -0.688 2.371 1.390) 2.833 23.616 ( 1.607 2.509 -4.662) 5.533 23.772 ( 7.097 -2.662 -1.413) 7.710 23.929 ( -3.825 2.785 4.085) 6.251 24.428 ( 0.020 0.500 -3.707) 3.740 24.498 ( -1.419 -3.217 -7.070) 7.896 24.894 ( 11.668 -15.080 4.183) 19.520 25.175 ( -11.956 -1.423 1.936) 12.196 25.364 ( -8.651 -0.947 -2.084) 8.948 29.023 ( -2.949 3.779 -0.454) 4.815 29.181 ( -1.375 8.180 -6.609) 10.606 29.454 ( -0.821 -0.197 3.164) 3.275 29.586 ( -0.389 -3.166 -1.331) 3.457 29.750 ( 2.544 -1.471 2.998) 4.198 29.784 ( -0.252 -1.035 1.093) 1.526 29.855 ( -1.907 1.446 2.890) 3.753 29.942 ( -0.304 -2.310 0.277) 2.346 29.978 ( -1.166 -0.554 -2.272) 2.613 30.100 ( -3.097 2.010 1.091) 3.850 30.143 ( 0.741 -0.944 4.508) 4.665 30.195 ( 1.323 -0.331 0.029) 1.364 30.332 ( -1.424 3.672 0.190) 3.943 30.506 ( 1.875 3.217 -2.393) 4.426 30.555 ( 2.885 2.279 1.664) 4.036 30.807 ( 0.577 -6.664 5.522) 8.674 30.922 ( 3.972 -1.721 -0.113) 4.331 31.018 ( -0.358 -0.290 6.360) 6.377 31.310 ( -1.882 17.001 -2.131) 17.238 31.383 ( 0.917 3.945 3.922) 5.638 31.783 ( 1.256 -5.336 -4.381) 7.018 31.969 ( 2.506 3.898 -9.265) 10.359 32.216 ( 3.367 1.436 -2.014) 4.177 32.398 ( -3.851 -1.462 -1.366) 4.340 32.726 ( 3.954 -6.792 -8.032) 11.237 32.893 ( -12.387 -6.060 -1.131) 13.836 33.074 ( -9.204 -0.195 9.172) 12.995 33.395 ( -9.495 0.068 4.464) 10.492 33.971 ( 3.883 3.571 5.706) 7.771 34.458 ( 6.947 -4.069 3.847) 8.923 35.017 ( 15.730 2.156 -10.523) 19.047 35.593 ( -1.527 -9.170 -11.029) 14.425 ======================= Grid point 58 (26/80) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -24.303 12.144 2.609) 27.293 2.628 ( 21.354 8.240 10.560) 25.207 2.800 ( 21.660 13.578 -5.609) 26.171 3.060 ( -24.444 10.636 3.978) 26.953 3.194 ( -1.022 5.859 6.261) 8.636 3.274 ( -2.430 2.069 4.979) 5.914 3.531 ( 3.071 2.744 7.547) 8.598 3.594 ( -0.228 4.107 5.425) 6.808 3.742 ( -5.454 2.331 -15.156) 16.275 3.821 ( -2.640 5.018 -11.103) 12.467 3.929 ( -2.300 4.800 -6.955) 8.758 4.206 ( -4.496 10.693 5.594) 12.878 4.361 ( 5.184 -4.795 0.686) 7.094 4.454 ( 2.424 -0.473 -7.364) 7.767 4.580 ( 2.268 -1.317 -0.991) 2.803 4.634 ( 4.961 -1.616 -0.311) 5.226 4.730 ( -2.893 -5.536 2.246) 6.637 4.796 ( 10.012 6.407 1.158) 11.942 4.869 ( 1.799 -2.528 -1.113) 3.296 5.048 ( -5.256 9.450 -3.743) 11.443 5.121 ( -4.468 -0.236 -0.130) 4.476 5.206 ( -1.371 0.549 5.243) 5.447 5.272 ( 7.616 -5.257 0.956) 9.303 5.335 ( 8.233 7.031 -7.612) 13.235 5.413 ( -5.792 -5.112 -3.006) 8.289 5.630 ( -4.488 2.078 3.460) 6.036 5.729 ( -0.729 -3.116 3.889) 5.036 5.907 ( 2.260 -6.765 1.432) 7.275 5.985 ( -1.406 1.332 0.128) 1.940 6.177 ( -3.087 -6.237 -3.824) 7.941 6.255 ( 1.476 -11.604 2.106) 11.886 6.503 ( 4.137 -9.373 1.507) 10.356 6.592 ( 0.251 -2.836 -2.613) 3.864 6.750 ( -7.798 2.477 -2.950) 8.697 6.815 ( -2.621 -0.957 3.813) 4.725 6.930 ( -3.258 -5.855 0.637) 6.731 7.010 ( 2.486 2.125 4.449) 5.522 7.110 ( -3.286 -2.162 0.469) 3.961 7.253 ( 4.701 -5.401 0.974) 7.227 7.381 ( -7.082 9.283 1.447) 11.765 7.452 ( 7.555 6.850 -2.706) 10.551 7.549 ( 5.158 4.380 -6.186) 9.168 7.657 ( 1.579 4.860 -1.413) 5.302 7.817 ( -1.503 -8.782 -0.937) 8.958 8.093 ( 0.575 -5.939 8.438) 10.334 8.184 ( 0.384 0.958 2.407) 2.619 8.423 ( -0.679 -11.145 4.357) 11.986 8.676 ( 5.267 4.053 -11.488) 13.272 8.808 ( 3.683 2.853 -10.041) 11.069 9.076 ( -1.774 -9.222 -1.272) 9.477 9.220 ( 0.542 -5.760 1.653) 6.017 9.298 ( -5.849 -4.357 1.756) 7.501 9.500 ( -2.047 8.278 6.529) 10.740 9.615 ( 4.809 6.208 -5.277) 9.461 9.748 ( -3.318 0.942 0.040) 3.449 10.090 ( -3.977 8.389 -6.915) 11.576 10.435 ( 3.538 7.241 2.947) 8.581 10.593 ( -3.966 -1.712 11.356) 12.150 10.649 ( -0.576 3.989 3.220) 5.159 11.031 ( 3.563 2.774 0.136) 4.518 11.369 ( 2.478 -0.997 -1.021) 2.860 11.508 ( -3.890 -1.644 6.058) 7.385 11.935 ( -6.508 -1.699 12.753) 14.418 12.011 ( 5.873 -3.687 -4.118) 8.065 12.215 ( -1.555 0.552 -5.077) 5.338 12.348 ( 3.171 -4.187 2.685) 5.898 12.494 ( 2.677 3.678 2.413) 5.149 12.747 ( -0.679 -2.628 -1.860) 3.290 13.323 ( 0.690 -4.530 -9.740) 10.764 13.447 ( 1.174 -11.693 -6.699) 13.527 13.837 ( -1.925 3.701 0.207) 4.177 13.955 ( -1.602 -0.961 3.518) 3.983 14.213 ( 0.041 4.855 2.829) 5.619 14.313 ( -4.005 -1.456 0.172) 4.265 14.387 ( -1.057 4.156 0.107) 4.289 14.557 ( -0.746 9.096 -2.300) 9.412 14.616 ( 5.378 0.960 -2.375) 5.957 14.738 ( 1.261 0.712 -1.863) 2.360 14.870 ( 3.446 -2.664 -6.878) 8.141 14.903 ( -3.457 2.504 -2.137) 4.773 14.987 ( 7.759 0.402 -1.465) 7.907 15.264 ( 0.828 -2.314 -3.535) 4.305 15.348 ( -6.371 -6.064 -5.813) 10.543 15.503 ( 1.154 1.773 -3.469) 4.063 15.663 ( -2.950 -0.629 1.064) 3.199 15.842 ( -0.200 2.614 0.308) 2.640 16.083 ( -11.111 2.786 2.163) 11.657 16.161 ( 0.465 -3.113 4.820) 5.756 16.247 ( 0.062 -3.633 10.181) 10.810 16.365 ( 3.943 0.955 5.350) 6.715 16.394 ( -2.630 1.567 -2.870) 4.197 16.631 ( 3.237 6.529 3.011) 7.885 16.937 ( -0.339 -5.780 -3.433) 6.731 17.023 ( 7.689 -15.714 5.537) 18.350 17.119 ( 2.847 -9.478 -0.465) 9.907 17.398 ( 6.022 -1.484 -7.298) 9.577 17.761 ( -10.454 -4.351 9.720) 14.923 17.900 ( -1.541 -5.407 8.099) 9.859 18.926 ( -0.919 7.648 -3.088) 8.299 19.335 ( 4.535 0.075 -8.083) 9.268 20.607 ( 4.713 2.881 6.475) 8.511 20.900 ( -0.967 2.411 2.305) 3.473 21.313 ( -1.257 11.907 -5.934) 13.363 21.537 ( -4.472 -0.638 -1.532) 4.770 21.691 ( -3.188 2.213 -4.874) 6.230 21.737 ( -0.293 1.945 4.300) 4.728 22.038 ( -0.652 3.390 3.922) 5.225 22.115 ( -2.245 6.299 -1.048) 6.769 22.180 ( 1.908 -2.658 -1.608) 3.646 22.458 ( -2.030 5.364 4.054) 7.023 22.716 ( -0.580 1.638 -5.664) 5.925 22.736 ( 4.173 1.523 3.900) 5.911 22.999 ( -0.857 3.149 0.452) 3.295 23.166 ( -3.361 -3.834 2.414) 5.641 23.233 ( 4.376 -1.529 7.465) 8.787 23.463 ( 0.840 1.843 3.571) 4.105 23.690 ( 4.440 3.040 -4.423) 6.966 23.813 ( -2.792 -3.289 0.564) 4.351 23.897 ( -0.982 3.540 1.790) 4.086 24.420 ( 0.803 -1.225 -4.059) 4.316 24.569 ( 6.454 -2.327 -6.503) 9.453 24.870 ( -13.592 -1.319 -8.323) 15.992 24.950 ( -6.665 -5.676 5.481) 10.329 25.371 ( 8.904 -6.985 3.800) 11.938 28.995 ( 0.141 3.465 -0.210) 3.475 29.167 ( 0.118 6.087 -6.669) 9.030 29.442 ( -0.260 -0.804 4.069) 4.156 29.600 ( 1.350 -4.167 -0.736) 4.442 29.775 ( -0.559 -1.212 0.262) 1.361 29.784 ( 1.400 -2.118 0.582) 2.605 29.845 ( 0.567 0.923 1.879) 2.169 29.930 ( -2.371 -2.475 -0.190) 3.433 29.980 ( 1.541 -1.848 0.595) 2.479 30.049 ( 0.145 -0.637 1.992) 2.097 30.139 ( -0.675 5.462 3.006) 6.271 30.200 ( -1.140 1.819 -0.489) 2.202 30.310 ( -1.191 2.738 2.476) 3.879 30.536 ( 1.216 4.580 -2.683) 5.445 30.645 ( 4.243 -3.124 1.072) 5.377 30.836 ( 2.367 -3.785 7.024) 8.323 30.985 ( 1.044 -1.650 0.671) 2.064 31.004 ( -1.040 -0.929 8.973) 9.081 31.282 ( -0.064 16.324 -0.698) 16.339 31.391 ( 0.586 3.655 3.273) 4.941 31.794 ( 2.029 -3.144 -3.752) 5.299 32.094 ( 6.096 -4.400 -9.109) 11.810 32.206 ( -4.171 -1.813 -7.007) 8.354 32.436 ( 7.082 7.582 -0.925) 10.416 32.567 ( -11.206 -0.788 0.513) 11.246 32.799 ( -1.235 -4.119 -8.316) 9.362 33.040 ( 4.652 -3.210 4.027) 6.940 33.217 ( -6.836 -4.754 3.994) 9.235 34.037 ( 1.585 3.951 7.618) 8.727 34.556 ( 1.742 -4.355 6.114) 7.706 35.283 ( 8.101 -1.228 -13.570) 15.852 35.454 ( -9.796 -4.088 -8.008) 13.297 ======================= Grid point 59 (27/80) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -29.049 18.681 1.733) 34.581 2.331 ( -33.405 18.827 13.756) 40.738 2.934 ( -4.490 5.331 6.073) 9.244 3.124 ( 16.249 3.743 10.849) 19.893 3.309 ( 2.710 -3.193 2.448) 4.851 3.372 ( 7.299 11.713 -12.547) 18.651 3.484 ( -6.574 5.569 1.429) 8.734 3.668 ( 0.319 -2.714 6.150) 6.730 3.729 ( 4.849 3.787 -3.213) 6.941 3.749 ( -7.195 9.277 -8.089) 14.257 3.963 ( -9.145 18.095 2.813) 20.469 4.000 ( -12.045 6.176 0.723) 13.556 4.093 ( -2.827 6.108 1.392) 6.873 4.306 ( -12.260 -4.030 -6.440) 14.423 4.431 ( 4.200 -0.245 -4.330) 6.037 4.618 ( -4.445 -7.582 -4.798) 10.013 4.694 ( 1.144 -4.064 -2.665) 4.993 4.881 ( 7.496 4.405 7.103) 11.227 5.010 ( 0.361 -3.127 1.910) 3.682 5.029 ( 3.786 -5.053 -2.326) 6.729 5.154 ( -0.496 1.314 -2.463) 2.836 5.212 ( -3.581 1.101 -2.364) 4.430 5.332 ( 8.502 -5.726 -5.377) 11.575 5.411 ( -1.012 -5.494 -4.866) 7.408 5.564 ( -1.880 -10.201 -0.581) 10.389 5.661 ( 8.009 -1.039 7.379) 10.940 5.792 ( 3.220 -3.273 3.873) 6.007 5.955 ( -4.762 -5.984 1.278) 7.754 6.102 ( 10.243 2.572 3.736) 11.202 6.192 ( 10.666 6.562 1.683) 12.635 6.333 ( 2.587 -3.308 -9.344) 10.244 6.512 ( -3.946 -8.694 0.542) 9.563 6.515 ( -7.921 -1.237 -5.753) 9.867 6.636 ( -3.408 -6.034 0.876) 6.985 6.719 ( 0.889 3.078 2.512) 4.071 6.840 ( 1.268 1.013 3.608) 3.956 7.061 ( 1.051 1.820 -0.958) 2.309 7.106 ( 4.666 4.153 4.004) 7.420 7.258 ( -2.720 5.408 -2.782) 6.662 7.358 ( 2.476 -4.363 1.234) 5.166 7.474 ( -0.111 6.274 -4.266) 7.588 7.696 ( 4.754 6.705 -2.013) 8.463 7.775 ( 4.409 -5.562 -2.071) 7.394 8.004 ( 17.233 -5.551 1.005) 18.133 8.074 ( -2.175 -6.251 5.531) 8.625 8.251 ( 6.492 -5.782 2.755) 9.120 8.434 ( 0.804 -7.437 4.294) 8.625 8.739 ( -7.416 8.586 -5.836) 12.758 8.850 ( 0.341 0.364 -9.911) 9.923 8.965 ( 0.158 -4.738 3.257) 5.752 9.068 ( -10.691 -0.476 0.988) 10.747 9.250 ( -0.578 -2.611 1.596) 3.114 9.495 ( -0.102 2.597 4.301) 5.025 9.647 ( -2.391 0.782 -2.231) 3.362 9.738 ( 2.372 0.106 -3.437) 4.177 10.002 ( -3.221 12.237 -5.988) 13.999 10.409 ( -6.073 12.067 8.988) 16.226 10.541 ( -2.888 -4.116 -1.936) 5.388 10.724 ( 8.865 -4.771 0.869) 10.104 11.103 ( 2.858 4.964 2.602) 6.291 11.383 ( -4.439 -5.922 7.306) 10.400 11.458 ( 2.474 2.336 -1.492) 3.716 11.768 ( -8.549 -3.895 5.633) 10.954 12.011 ( -4.160 6.361 3.266) 8.273 12.210 ( 0.192 -7.041 -3.856) 8.030 12.423 ( 1.708 0.199 4.538) 4.853 12.501 ( 1.325 3.202 3.214) 4.726 12.810 ( 3.951 -4.951 -2.100) 6.673 13.304 ( -2.533 -7.479 -11.092) 13.616 13.438 ( -1.251 -9.542 -1.616) 9.759 13.743 ( -5.444 4.303 -4.186) 8.104 13.902 ( -2.491 -1.235 1.397) 3.112 14.156 ( -3.688 5.146 -0.376) 6.342 14.244 ( -3.897 3.420 -1.549) 5.411 14.379 ( 0.901 1.809 -0.974) 2.243 14.521 ( -1.532 5.167 1.467) 5.585 14.736 ( 5.517 2.108 -0.922) 5.977 14.804 ( 0.971 0.715 -0.997) 1.565 14.861 ( 3.209 2.006 -0.236) 3.792 15.010 ( 6.589 -2.922 -6.039) 9.404 15.114 ( -8.774 1.154 0.093) 8.850 15.175 ( 2.774 0.733 -3.327) 4.393 15.279 ( 1.997 -6.573 -6.116) 9.198 15.484 ( -6.528 0.662 0.212) 6.565 15.633 ( 5.929 0.215 1.522) 6.125 15.808 ( -8.930 3.101 -7.237) 11.905 15.985 ( 4.387 1.893 1.103) 4.904 16.101 ( 0.672 -1.165 0.325) 1.384 16.260 ( -3.126 -2.860 2.579) 4.960 16.464 ( 8.570 1.073 5.708) 10.352 16.534 ( 10.839 -2.420 5.641) 12.456 16.745 ( 4.178 -2.335 1.203) 4.935 16.920 ( -6.351 -4.348 0.620) 7.722 17.062 ( 3.045 -7.669 0.447) 8.263 17.209 ( 9.055 -7.785 6.023) 13.374 17.551 ( -5.458 -0.771 11.654) 12.891 17.738 ( 17.258 -5.035 -9.267) 20.226 17.850 ( -3.124 -4.591 7.046) 8.971 18.790 ( -11.184 8.971 -3.998) 14.884 19.382 ( -0.763 -3.192 -5.165) 6.120 20.678 ( 1.297 -0.184 10.793) 10.873 20.880 ( -0.583 2.077 1.247) 2.492 21.255 ( -4.040 7.919 -7.272) 11.486 21.398 ( -6.873 1.509 -2.426) 7.443 21.545 ( -6.584 2.277 -5.583) 8.927 21.713 ( -2.581 8.616 8.317) 12.251 22.001 ( -3.983 8.609 -4.955) 10.702 22.096 ( 0.514 1.973 1.862) 2.761 22.246 ( 3.302 -3.424 -0.042) 4.757 22.430 ( 0.358 5.079 -0.320) 5.101 22.725 ( 0.145 -2.106 -0.088) 2.113 22.817 ( 2.824 1.471 4.400) 5.431 22.957 ( -2.459 3.816 -0.092) 4.540 23.106 ( -1.618 -4.481 2.248) 5.268 23.301 ( 1.789 -1.279 7.749) 8.055 23.509 ( 2.652 2.764 2.066) 4.352 23.711 ( -4.976 -1.406 -2.285) 5.653 23.761 ( -2.127 -6.857 -6.375) 9.601 23.855 ( -1.114 7.669 4.228) 8.828 24.381 ( -9.947 -6.218 -10.957) 16.052 24.509 ( -1.921 0.136 -1.254) 2.298 24.793 ( -5.412 -3.802 4.723) 8.127 24.919 ( 13.074 5.650 -5.676) 15.332 25.586 ( 9.560 -7.668 3.645) 12.786 29.025 ( 2.627 4.867 -0.393) 5.545 29.179 ( 0.995 5.675 -6.902) 8.991 29.446 ( 0.561 0.895 4.415) 4.539 29.632 ( 1.621 -5.238 0.104) 5.485 29.767 ( -0.129 -0.829 0.040) 0.840 29.819 ( 0.295 -1.689 1.983) 2.621 29.854 ( 0.416 0.158 2.400) 2.441 29.890 ( -0.809 -4.566 -2.634) 5.333 30.008 ( 1.334 -1.987 0.704) 2.495 30.064 ( 1.022 0.068 1.043) 1.462 30.128 ( -0.710 5.444 3.726) 6.635 30.207 ( 1.333 5.739 -1.809) 6.164 30.281 ( 0.322 2.234 2.736) 3.547 30.554 ( 0.429 3.513 -1.580) 3.876 30.715 ( 2.402 -7.128 1.037) 7.593 30.881 ( -0.573 -0.029 12.033) 12.047 30.957 ( -2.419 -0.773 -0.139) 2.544 30.995 ( 1.022 -1.567 4.594) 4.960 31.310 ( 2.175 15.202 -1.153) 15.400 31.452 ( 5.651 3.194 5.823) 8.719 31.878 ( 4.692 -2.754 -3.800) 6.636 32.133 ( -2.248 -3.655 -6.066) 7.430 32.171 ( -0.290 -9.273 -7.182) 11.732 32.279 ( -9.139 0.679 2.630) 9.534 32.722 ( 9.924 4.017 -2.047) 10.901 32.759 ( 1.272 0.902 -10.019) 10.140 33.094 ( -0.214 -5.844 7.336) 9.381 33.253 ( 11.882 0.219 2.784) 12.206 34.039 ( -1.032 4.529 6.753) 8.197 34.527 ( -4.545 -4.042 7.139) 9.379 35.127 ( -16.734 -0.584 -4.975) 17.468 35.399 ( -1.480 -6.703 -20.303) 21.432 ======================= Grid point 60 (28/80) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -17.709 31.066 10.955) 37.400 1.624 ( -31.709 22.809 20.013) 43.889 2.525 ( -36.154 41.995 31.067) 63.528 2.947 ( -13.493 6.464 0.389) 14.967 3.297 ( 1.624 4.310 7.816) 9.073 3.455 ( 8.110 -1.056 4.779) 9.472 3.520 ( -5.025 2.957 -4.890) 7.609 3.534 ( 2.329 5.111 -1.606) 5.842 3.801 ( 5.181 -0.646 2.844) 5.945 3.893 ( 4.000 -0.263 -3.330) 5.211 3.955 ( 0.556 -5.026 -6.890) 8.546 3.983 ( 5.573 -1.178 -0.588) 5.727 4.122 ( -0.662 -1.916 -2.542) 3.251 4.230 ( 11.122 2.673 -0.488) 11.449 4.515 ( -4.308 -7.343 -7.112) 11.094 4.596 ( 5.355 -4.786 -6.962) 10.003 4.734 ( 1.986 -3.495 -5.646) 6.931 4.805 ( -2.766 0.984 0.257) 2.947 4.956 ( -3.621 1.978 -9.126) 10.015 5.071 ( -3.544 -1.387 -0.762) 3.881 5.208 ( -1.681 -9.867 -3.634) 10.648 5.271 ( 4.103 -6.042 -5.546) 9.170 5.358 ( 2.693 1.224 -3.436) 4.534 5.409 ( 2.628 -2.426 -6.323) 7.264 5.578 ( 0.101 -11.656 3.510) 12.173 5.727 ( -2.532 -0.563 -3.758) 4.566 5.832 ( 0.888 -0.676 8.218) 8.293 6.020 ( 3.885 -0.364 14.085) 14.616 6.064 ( -1.762 3.788 13.482) 14.114 6.106 ( -9.376 3.477 -4.243) 10.863 6.359 ( -2.860 -0.126 3.564) 4.571 6.389 ( -5.577 3.125 -4.328) 7.720 6.509 ( 4.732 -2.266 -5.022) 7.262 6.563 ( 0.258 1.108 8.073) 8.152 6.870 ( 2.712 6.054 -14.231) 15.702 7.078 ( 3.417 -3.070 2.411) 5.188 7.136 ( 16.995 6.568 -3.267) 18.510 7.171 ( -2.492 -10.760 -3.799) 11.680 7.267 ( 8.012 5.835 -1.830) 10.079 7.458 ( 9.504 -0.132 5.582) 11.023 7.511 ( 2.957 1.482 0.130) 3.310 7.758 ( 2.669 3.174 -1.776) 4.511 7.906 ( 5.822 -3.692 -3.406) 7.689 7.996 ( -8.783 -6.464 1.694) 11.036 8.183 ( 2.005 -2.158 4.180) 5.114 8.254 ( -16.216 -5.293 4.427) 17.623 8.403 ( -2.710 -5.602 3.734) 7.257 8.694 ( -2.424 -0.961 6.702) 7.191 8.770 ( -4.997 1.909 -3.204) 6.236 8.821 ( 9.688 0.948 -1.068) 9.793 9.169 ( -0.121 -0.942 -1.158) 1.498 9.213 ( 3.271 7.261 -1.504) 8.105 9.507 ( 1.488 1.749 2.283) 3.238 9.593 ( 1.559 -0.111 -0.795) 1.753 9.779 ( 0.711 -1.664 -8.028) 8.229 9.978 ( -0.148 9.968 -11.562) 15.266 10.282 ( -4.314 10.571 3.749) 12.017 10.439 ( -5.619 0.149 -0.690) 5.663 10.913 ( 5.863 -7.239 4.419) 10.311 11.140 ( -0.382 -1.492 9.697) 9.819 11.276 ( -2.894 0.850 1.321) 3.293 11.533 ( 2.394 -0.911 -0.328) 2.582 11.595 ( -6.181 -3.003 0.129) 6.873 11.923 ( -3.022 9.503 4.577) 10.972 12.199 ( -1.268 -8.608 1.213) 8.785 12.390 ( -2.235 1.857 4.549) 5.398 12.605 ( 5.138 0.412 1.407) 5.343 12.837 ( -1.162 -4.987 0.799) 5.182 13.236 ( -2.578 -8.269 -6.923) 11.089 13.419 ( -0.598 -5.677 -6.478) 8.635 13.634 ( -4.512 1.877 -5.265) 7.184 13.869 ( -0.559 -4.151 0.569) 4.227 14.106 ( -0.512 4.472 -1.507) 4.746 14.166 ( -2.949 4.691 -6.303) 8.392 14.400 ( 1.161 6.588 -1.043) 6.771 14.496 ( -1.419 1.040 2.162) 2.788 14.754 ( -6.261 0.048 -3.726) 7.286 14.786 ( -2.907 1.294 2.768) 4.217 14.885 ( 3.576 0.985 1.473) 3.991 15.017 ( -5.538 -0.356 -1.119) 5.662 15.097 ( 2.098 0.959 -0.453) 2.351 15.207 ( 6.273 3.807 -6.471) 9.783 15.373 ( 2.485 -4.704 -2.780) 6.003 15.441 ( 2.350 1.751 0.232) 2.940 15.565 ( -9.214 2.153 -6.078) 11.247 15.798 ( 5.915 -1.315 3.001) 6.762 15.993 ( -0.755 -2.913 -1.730) 3.471 16.246 ( 2.504 0.591 -1.115) 2.804 16.268 ( 9.316 -5.296 -0.359) 10.722 16.599 ( -5.801 -9.426 0.356) 11.073 16.645 ( 1.196 0.125 3.044) 3.273 16.722 ( 4.388 -5.382 0.202) 6.947 16.986 ( 10.392 3.847 3.725) 11.690 17.110 ( -2.536 -6.572 2.766) 7.568 17.392 ( 7.941 -4.052 5.117) 10.279 17.513 ( 0.132 6.928 12.225) 14.052 17.805 ( 1.319 -6.229 5.519) 8.426 18.111 ( 15.752 -2.986 -6.261) 17.211 18.504 ( -12.688 9.108 -2.674) 15.846 19.280 ( -8.477 -8.092 -6.079) 13.202 20.661 ( -2.947 -2.660 8.299) 9.200 20.897 ( 2.214 -4.766 2.368) 5.764 21.150 ( -4.791 3.331 -5.273) 7.864 21.335 ( 3.525 6.713 -0.177) 7.584 21.470 ( 0.430 7.191 -3.083) 7.836 21.692 ( 0.966 10.165 6.710) 12.218 21.860 ( -7.748 8.879 -0.680) 11.804 22.126 ( 1.526 5.649 -2.263) 6.274 22.288 ( 0.463 -3.983 1.445) 4.262 22.467 ( 1.782 1.492 -3.233) 3.981 22.681 ( -3.362 -2.523 2.807) 5.054 22.800 ( -3.057 5.665 0.814) 6.488 22.975 ( -0.667 -0.175 -0.136) 0.703 23.094 ( 2.424 -9.229 4.167) 10.412 23.302 ( -3.737 -3.386 4.626) 6.843 23.514 ( -13.023 -6.729 -13.385) 19.850 23.561 ( -0.695 2.552 0.684) 2.732 23.603 ( -4.275 -3.208 -1.637) 5.590 23.859 ( 0.752 11.982 6.692) 13.745 24.272 ( 1.522 0.710 -0.095) 1.682 24.500 ( -0.971 -1.008 0.424) 1.463 24.738 ( 0.045 -2.052 -1.646) 2.631 25.204 ( 12.100 5.853 -2.379) 13.651 25.749 ( 5.035 -7.200 1.795) 8.967 29.106 ( 4.879 6.904 -2.145) 8.722 29.201 ( 0.964 5.873 -6.942) 9.144 29.467 ( 1.229 4.972 3.512) 6.210 29.661 ( 0.376 -7.069 1.141) 7.170 29.760 ( 0.047 -0.515 2.583) 2.634 29.810 ( 1.320 -1.396 0.876) 2.111 29.833 ( -2.835 -1.106 -2.614) 4.011 29.916 ( 2.174 -1.862 0.118) 2.865 30.029 ( 0.446 -1.393 0.420) 1.522 30.096 ( 1.486 0.419 1.716) 2.308 30.143 ( 1.229 2.259 2.033) 3.279 30.194 ( 0.191 4.595 1.569) 4.859 30.360 ( 4.321 3.447 -1.743) 5.796 30.555 ( -0.262 2.489 -1.040) 2.710 30.737 ( -2.354 -2.548 4.655) 5.806 30.809 ( -3.125 -1.674 5.306) 6.381 30.915 ( -1.028 -2.011 0.989) 2.466 31.058 ( 3.453 -1.575 3.260) 5.003 31.339 ( -0.956 12.454 -3.390) 12.943 31.617 ( 7.612 2.432 4.545) 9.193 31.897 ( -5.935 -4.405 -8.994) 11.641 31.968 ( -9.453 -1.624 -4.925) 10.782 32.190 ( 3.984 -19.032 14.835) 24.458 32.235 ( 2.714 2.149 -3.079) 4.633 32.628 ( -6.559 -4.488 -9.549) 12.423 33.019 ( 9.082 -7.803 2.671) 12.268 33.288 ( 20.622 13.241 7.649) 25.673 33.597 ( 20.214 0.621 3.930) 20.601 34.037 ( 2.954 6.505 4.069) 8.222 34.384 ( -7.741 -2.563 5.629) 9.908 34.728 ( -19.416 0.944 -3.128) 19.689 35.160 ( -23.578 -10.184 -27.074) 37.318 ======================= Grid point 61 (29/80) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 5.494 35.578 14.290) 38.732 1.943 ( 3.834 42.548 7.973) 43.458 2.844 ( 1.704 -10.569 2.942) 11.102 2.992 ( -2.506 25.840 16.548) 30.786 3.350 ( -8.390 3.848 2.683) 9.612 3.485 ( 4.526 0.664 1.461) 4.803 3.503 ( 1.622 -1.395 1.831) 2.816 3.675 ( 1.006 -1.315 -3.221) 3.622 3.830 ( -2.855 10.897 -1.052) 11.314 3.852 ( -3.741 9.473 1.438) 10.286 3.913 ( 2.293 -3.254 -9.603) 10.395 4.040 ( 7.467 -5.153 3.788) 9.831 4.109 ( 1.852 4.130 -1.001) 4.635 4.319 ( -4.517 0.281 -6.852) 8.212 4.429 ( -0.119 -0.527 -4.850) 4.880 4.526 ( -0.319 -5.344 -7.853) 9.504 4.653 ( 2.341 -3.505 -7.216) 8.357 4.746 ( -6.079 -4.057 -4.780) 8.733 4.811 ( -0.758 -9.781 -3.019) 10.265 4.860 ( 4.711 -2.015 -1.702) 5.399 5.106 ( 2.434 -5.299 -3.163) 6.634 5.289 ( -1.121 1.726 -8.483) 8.730 5.357 ( -2.357 -3.304 -4.913) 6.373 5.399 ( -3.159 -1.976 5.621) 6.743 5.520 ( 0.545 -7.397 0.769) 7.457 5.567 ( -0.505 -11.730 4.252) 12.488 5.855 ( -4.032 8.140 7.364) 11.694 5.978 ( 1.649 -2.199 4.916) 5.632 6.071 ( 1.205 -3.722 8.406) 9.272 6.178 ( -0.209 2.911 2.142) 3.620 6.437 ( 2.645 6.459 3.240) 7.695 6.444 ( 3.466 3.703 4.244) 6.613 6.695 ( 6.020 -5.728 -2.746) 8.751 6.732 ( 7.869 0.449 -3.938) 8.811 6.841 ( -0.408 8.619 -4.173) 9.585 6.938 ( -8.241 3.305 10.093) 13.443 7.149 ( -1.719 3.093 -3.643) 5.078 7.279 ( 0.071 -0.877 2.555) 2.702 7.467 ( 3.104 -4.141 1.183) 5.309 7.502 ( -2.437 -3.476 -3.060) 5.233 7.659 ( -13.007 -4.013 -1.715) 13.720 7.706 ( -6.008 2.254 2.065) 6.741 7.745 ( 6.331 -0.531 -0.796) 6.403 7.790 ( -0.818 -15.015 4.496) 15.695 7.907 ( 2.778 2.128 4.397) 5.620 8.137 ( -1.660 -5.366 0.834) 5.678 8.408 ( 3.578 5.146 7.441) 9.729 8.605 ( -9.685 7.253 0.914) 12.134 8.742 ( 1.570 -2.546 -1.989) 3.592 8.861 ( -8.435 -5.102 -0.804) 9.891 9.244 ( 8.263 -3.597 -1.571) 9.148 9.318 ( 1.703 -0.220 -3.599) 3.987 9.614 ( 3.208 1.953 -2.636) 4.589 9.730 ( 8.294 -3.930 -4.574) 10.254 9.905 ( 2.146 13.656 -2.905) 14.125 10.074 ( 0.324 5.495 -10.697) 12.030 10.378 ( -3.919 6.526 -0.157) 7.614 10.500 ( 0.862 8.416 -3.284) 9.075 10.848 ( 0.681 -3.221 9.241) 9.810 11.096 ( -1.894 6.961 2.969) 7.801 11.295 ( 2.871 -7.527 -3.033) 8.608 11.455 ( -2.219 -6.852 -3.644) 8.072 11.556 ( 1.738 5.999 1.791) 6.498 11.962 ( 1.192 -8.389 1.873) 8.677 12.047 ( -3.190 3.360 8.046) 9.285 12.317 ( -2.797 -4.609 5.564) 7.747 12.658 ( -0.500 -0.200 1.161) 1.279 12.723 ( -0.931 -3.811 1.995) 4.401 13.115 ( 1.142 -2.718 -5.349) 6.107 13.257 ( 0.405 -8.600 -5.487) 10.209 13.637 ( -1.091 4.633 -5.615) 7.361 13.778 ( 0.434 -3.927 -2.166) 4.505 14.134 ( -2.451 1.162 -7.723) 8.186 14.177 ( 1.602 -0.291 -6.509) 6.709 14.474 ( -0.100 2.723 -4.387) 5.164 14.589 ( 0.065 7.935 -0.603) 7.958 14.643 ( 0.685 -4.579 -4.137) 6.209 14.771 ( -0.519 0.255 3.062) 3.116 14.998 ( -0.712 10.578 5.303) 11.854 15.077 ( -1.179 7.549 -3.457) 8.386 15.206 ( 1.986 6.736 2.745) 7.541 15.294 ( -2.087 1.989 -1.199) 3.122 15.341 ( 0.563 0.721 -0.941) 1.312 15.477 ( 1.064 -3.542 -1.645) 4.048 15.545 ( 3.493 0.621 4.151) 5.461 15.837 ( 0.611 -2.352 1.294) 2.753 15.869 ( 3.073 -11.437 1.280) 11.912 16.043 ( -3.055 -17.433 -3.086) 17.966 16.315 ( -1.771 -4.593 2.385) 5.470 16.332 ( 0.090 -1.515 1.087) 1.866 16.662 ( 1.303 -5.216 2.504) 5.930 16.689 ( 0.874 -4.086 -4.680) 6.273 16.985 ( -5.208 5.088 -0.040) 7.281 17.108 ( -4.355 0.356 -3.716) 5.736 17.440 ( -0.621 0.715 8.654) 8.706 17.670 ( -0.154 -9.209 6.520) 11.285 17.908 ( 5.377 19.999 3.364) 20.980 18.388 ( 7.875 0.807 1.699) 8.097 18.468 ( 0.169 2.916 -1.460) 3.266 18.795 ( -8.980 -17.603 -7.326) 21.076 20.575 ( -3.617 2.179 4.748) 6.353 20.743 ( -0.387 -7.857 2.766) 8.339 21.180 ( 3.218 5.280 -1.842) 6.452 21.443 ( 3.351 -5.254 -6.144) 8.751 21.794 ( 9.285 6.601 3.069) 11.798 21.847 ( -1.197 10.690 1.196) 10.824 21.917 ( -0.608 5.094 3.007) 5.947 22.133 ( -1.511 -4.950 1.265) 5.328 22.317 ( -0.370 2.805 -3.046) 4.157 22.398 ( -0.706 -4.629 -0.398) 4.700 22.692 ( -0.235 5.824 0.486) 5.849 22.789 ( -2.675 2.817 -5.461) 6.702 22.931 ( 0.302 6.798 -1.252) 6.919 23.109 ( 3.098 -3.261 -9.575) 10.579 23.141 ( 3.838 -5.681 10.286) 12.362 23.346 ( -2.183 -5.455 0.040) 5.876 23.544 ( 0.230 4.048 1.592) 4.356 23.668 ( 1.155 2.958 1.931) 3.717 24.083 ( -1.641 10.833 8.206) 13.689 24.353 ( -0.459 3.174 -0.591) 3.261 24.414 ( -0.658 -3.763 1.180) 3.998 24.655 ( -0.202 -7.828 1.754) 8.024 25.476 ( 2.222 3.710 -3.955) 5.860 25.649 ( -1.923 -5.768 -1.108) 6.180 29.192 ( -0.674 2.548 -1.103) 2.857 29.439 ( 2.358 4.921 -7.649) 9.396 29.474 ( 0.119 -5.973 2.949) 6.662 29.609 ( -1.434 6.012 1.231) 6.302 29.719 ( 0.998 -4.883 -0.656) 5.027 29.762 ( -0.230 -1.783 -1.005) 2.060 29.885 ( 2.090 0.267 -0.165) 2.113 29.913 ( -0.239 -1.059 -1.447) 1.809 30.045 ( 1.428 1.032 1.897) 2.589 30.097 ( -0.158 -0.750 2.055) 2.193 30.159 ( -2.548 0.819 2.096) 3.400 30.223 ( -1.424 -1.589 2.622) 3.380 30.494 ( 0.620 5.001 -0.660) 5.082 30.595 ( -0.537 1.624 -0.837) 1.905 30.698 ( -4.694 2.420 0.737) 5.332 30.738 ( 2.101 -2.979 -1.055) 3.795 30.827 ( -5.480 3.559 6.624) 9.304 31.093 ( -0.122 -5.181 2.441) 5.728 31.295 ( -6.925 10.972 -6.303) 14.424 31.672 ( -5.751 -3.700 -6.844) 9.675 31.866 ( 0.312 9.032 -1.309) 9.132 31.903 ( 10.402 2.815 6.118) 12.392 32.125 ( 5.888 -4.929 6.760) 10.230 32.292 ( -1.456 -4.173 1.703) 4.737 32.438 ( -2.939 0.804 -7.452) 8.051 32.851 ( 1.197 -17.083 4.841) 17.796 33.750 ( 3.281 3.445 1.411) 4.962 33.837 ( 0.267 -1.675 3.755) 4.120 34.256 ( -10.040 1.413 -2.806) 10.520 34.330 ( -9.131 -1.957 -4.435) 10.338 34.466 ( -0.261 4.354 -3.048) 5.321 34.632 ( 17.187 -3.527 -4.783) 18.185 ======================= Grid point 62 (30/80) ======================= q-point: ( 0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 20.032 36.977 5.489) 42.411 2.225 ( 22.717 29.531 14.123) 39.845 3.046 ( 7.488 17.335 6.924) 20.112 3.112 ( 12.405 -3.313 -2.512) 13.083 3.284 ( 3.906 3.493 4.563) 6.949 3.449 ( -3.454 -11.280 1.142) 11.852 3.484 ( -0.464 5.888 11.118) 12.589 3.667 ( -0.988 -6.127 -1.406) 6.363 3.723 ( -6.312 4.203 -3.610) 8.399 3.884 ( -4.253 -3.714 -5.186) 7.666 3.934 ( 12.338 18.757 -2.389) 22.578 4.106 ( -4.285 0.447 3.691) 5.673 4.221 ( 4.604 4.028 -0.805) 6.170 4.266 ( 0.581 5.373 -0.371) 5.417 4.425 ( 0.985 0.825 -13.828) 13.888 4.576 ( 6.351 -4.038 -13.909) 15.815 4.623 ( -4.422 1.980 -4.832) 6.843 4.756 ( 3.915 -2.880 -2.633) 5.528 4.882 ( 3.638 -7.522 -2.661) 8.769 4.963 ( 5.517 -3.122 -3.804) 7.393 5.161 ( -0.632 -9.602 -3.544) 10.254 5.185 ( -3.024 0.629 -8.352) 8.905 5.266 ( -4.086 2.293 7.827) 9.123 5.386 ( 3.428 -3.957 2.005) 5.606 5.550 ( 0.973 -7.795 -2.069) 8.124 5.612 ( -1.805 -2.557 3.653) 4.811 5.717 ( 0.339 -7.637 8.481) 11.418 5.894 ( -9.659 3.578 6.745) 12.312 6.040 ( -3.220 -6.008 7.129) 9.864 6.295 ( -8.650 -4.353 14.775) 17.666 6.338 ( 4.262 5.554 -7.704) 10.410 6.479 ( 2.940 7.377 0.399) 7.951 6.686 ( -5.388 -3.245 -0.978) 6.365 6.747 ( -6.281 -2.230 5.136) 8.414 6.830 ( -0.086 0.417 5.839) 5.855 6.951 ( -0.627 -1.702 -1.236) 2.195 7.077 ( -0.030 1.015 0.660) 1.211 7.189 ( -11.437 6.927 -6.700) 14.956 7.240 ( -6.624 0.459 2.799) 7.205 7.432 ( -1.296 4.491 -5.003) 6.847 7.556 ( -5.060 4.805 -7.638) 10.346 7.737 ( 4.851 -4.221 -0.692) 6.468 7.773 ( -0.119 -4.043 4.816) 6.289 7.953 ( 7.195 -4.236 1.155) 8.429 8.038 ( 2.240 -7.500 -0.286) 7.832 8.082 ( 2.857 -14.233 1.984) 14.652 8.332 ( -12.932 4.793 -1.699) 13.896 8.438 ( -3.781 0.275 7.284) 8.212 8.672 ( -2.524 1.200 -1.385) 3.118 8.852 ( 7.265 -2.602 -5.272) 9.346 9.248 ( -4.653 -3.321 0.846) 5.779 9.346 ( -0.144 -0.338 -1.091) 1.151 9.640 ( -0.059 7.328 2.766) 7.833 9.881 ( -1.862 10.828 -2.263) 11.218 9.891 ( 1.264 0.291 2.514) 2.829 10.190 ( 6.412 2.695 -12.379) 14.199 10.384 ( 4.870 6.630 -4.155) 9.216 10.534 ( 3.627 1.645 -0.208) 3.988 10.839 ( -1.512 5.216 12.422) 13.557 11.054 ( -1.592 6.911 2.469) 7.509 11.326 ( -0.084 -5.112 -1.174) 5.245 11.409 ( -1.448 -9.895 -3.450) 10.579 11.683 ( 9.383 7.450 -1.412) 12.064 11.985 ( 0.177 0.923 2.248) 2.437 12.032 ( 2.148 -7.587 7.267) 10.724 12.263 ( -2.539 -6.030 2.643) 7.056 12.601 ( -3.939 0.573 1.105) 4.130 12.702 ( -0.660 -4.404 1.183) 4.607 13.153 ( 2.188 -2.969 -6.147) 7.168 13.266 ( 0.310 -7.160 -6.367) 9.587 13.668 ( 4.315 4.370 -2.801) 6.750 13.829 ( 3.674 -5.126 -0.639) 6.340 14.156 ( 4.191 2.385 -6.223) 7.873 14.277 ( 7.487 -2.603 -7.244) 10.738 14.465 ( -1.015 3.794 -1.743) 4.297 14.569 ( -1.642 5.057 -1.794) 5.611 14.672 ( 2.196 -0.909 -5.493) 5.985 14.763 ( -0.507 3.740 0.507) 3.809 14.955 ( -4.065 9.011 3.527) 10.496 15.025 ( -3.893 5.318 -2.470) 7.039 15.170 ( -4.512 7.809 1.297) 9.111 15.287 ( -0.313 0.710 -1.756) 1.920 15.349 ( 1.903 -4.159 2.713) 5.318 15.470 ( -1.530 -2.187 -1.309) 2.973 15.683 ( 9.151 -4.179 4.165) 10.889 15.725 ( -6.032 -4.475 1.514) 7.662 16.022 ( 4.736 -2.591 2.166) 5.817 16.130 ( 9.641 -13.011 -4.889) 16.916 16.265 ( -2.409 -9.430 -0.198) 9.734 16.284 ( -2.393 -4.289 3.853) 6.242 16.633 ( -4.036 -2.798 1.173) 5.049 16.661 ( -3.522 -0.936 -2.844) 4.623 16.802 ( -10.134 4.192 2.147) 11.175 16.951 ( -8.067 -0.300 -5.796) 9.938 17.332 ( -9.172 4.318 10.801) 14.813 17.620 ( -4.328 -7.074 3.014) 8.824 17.857 ( -7.015 10.178 5.653) 13.592 18.260 ( -14.224 -5.004 3.383) 15.453 18.659 ( 14.885 5.374 0.260) 15.828 18.905 ( 12.461 -9.700 -10.680) 19.064 20.544 ( 1.035 4.379 3.147) 5.491 20.776 ( 3.051 -8.306 1.940) 9.059 21.324 ( 9.312 6.786 -1.205) 11.585 21.500 ( 2.894 1.351 1.566) 3.558 21.772 ( -2.634 11.407 0.202) 11.709 21.920 ( 1.326 0.745 1.328) 2.019 22.002 ( 1.668 1.045 -0.530) 2.038 22.123 ( -0.950 -6.135 0.313) 6.216 22.322 ( 4.149 8.695 1.205) 9.709 22.447 ( 5.547 -1.246 -0.543) 5.711 22.674 ( -1.871 5.875 2.404) 6.618 22.825 ( 3.742 4.014 -7.860) 9.586 22.957 ( 2.093 3.773 -0.682) 4.368 23.081 ( -1.387 -4.153 -2.195) 4.898 23.288 ( -1.103 -6.366 -0.536) 6.483 23.393 ( 9.902 -8.053 2.004) 12.920 23.540 ( -0.367 4.652 3.344) 5.741 23.690 ( 1.099 3.314 0.183) 3.496 24.058 ( 0.029 7.762 7.103) 10.522 24.352 ( 2.257 -3.541 1.465) 4.447 24.408 ( 0.349 -0.218 -0.795) 0.895 24.603 ( -4.218 -7.169 1.167) 8.400 25.405 ( -8.119 1.854 -1.218) 8.416 25.525 ( -8.851 -3.874 -2.195) 9.908 29.154 ( -2.562 3.387 -1.106) 4.389 29.421 ( -1.944 -7.904 -0.199) 8.142 29.450 ( -4.552 8.261 -5.565) 10.952 29.602 ( -0.731 3.227 0.622) 3.367 29.681 ( -0.531 -2.309 1.349) 2.726 29.780 ( 0.727 -0.194 1.529) 1.704 29.901 ( -0.250 -2.564 -1.172) 2.830 29.905 ( -1.098 -2.253 -1.289) 2.818 30.035 ( -4.186 2.390 3.829) 6.156 30.087 ( 1.604 0.444 0.121) 1.668 30.144 ( 1.062 0.126 -1.298) 1.682 30.182 ( -2.092 -2.046 3.933) 4.902 30.472 ( -1.726 6.451 2.774) 7.231 30.575 ( -2.333 4.547 0.236) 5.116 30.606 ( -1.065 1.809 -1.689) 2.694 30.724 ( -0.328 -1.048 3.857) 4.010 30.811 ( 2.315 0.172 1.644) 2.844 31.028 ( -2.578 -2.756 2.682) 4.630 31.366 ( 7.023 7.105 -3.933) 10.736 31.600 ( -1.397 -0.843 -5.589) 5.822 31.826 ( -3.437 14.050 1.222) 14.516 32.080 ( 1.190 3.751 -4.369) 5.880 32.155 ( 1.624 -0.173 0.362) 1.673 32.350 ( 6.599 -7.970 12.294) 16.069 32.414 ( 1.384 -3.651 -11.830) 12.457 32.800 ( -6.016 -18.657 0.766) 19.618 33.563 ( -21.093 5.895 4.150) 22.291 33.660 ( -11.483 0.851 4.889) 12.509 34.023 ( -3.219 4.753 -0.784) 5.793 34.214 ( 4.611 -4.883 0.584) 6.741 34.756 ( 17.177 7.202 -5.847) 19.522 35.147 ( 19.661 -13.762 -8.111) 25.333 ======================= Grid point 63 (31/80) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 17.258 26.044 5.958) 31.806 2.746 ( 20.705 23.509 2.883) 31.459 2.984 ( -11.788 14.448 -0.170) 18.648 3.196 ( -2.144 1.595 1.744) 3.190 3.264 ( -1.109 -3.665 4.275) 5.739 3.547 ( -3.300 0.666 -5.689) 6.610 3.563 ( 6.926 5.906 0.541) 9.118 3.716 ( 3.210 -6.626 -8.133) 10.970 3.780 ( -5.067 -3.463 -5.700) 8.376 3.808 ( 14.112 -13.530 -4.785) 20.127 4.006 ( 1.936 1.432 14.052) 14.257 4.154 ( -4.546 0.686 -4.054) 6.129 4.253 ( 0.481 3.768 -0.353) 3.815 4.372 ( 15.526 16.905 3.873) 23.277 4.432 ( 3.695 5.381 -9.240) 11.313 4.602 ( -2.400 6.524 -8.613) 11.068 4.731 ( 3.979 3.237 -13.840) 14.760 4.785 ( 3.838 0.150 2.097) 4.377 4.876 ( 1.720 5.629 -0.646) 5.921 5.034 ( -3.241 4.420 0.641) 5.519 5.146 ( -2.038 -0.845 -4.622) 5.122 5.170 ( 4.607 -4.649 -2.492) 7.004 5.238 ( 2.140 -1.541 9.565) 9.922 5.408 ( -5.784 4.538 6.029) 9.507 5.580 ( 2.934 -3.733 -3.898) 6.143 5.598 ( 5.530 -9.697 5.421) 12.409 5.692 ( -1.327 0.277 4.406) 4.609 5.816 ( -3.210 -5.130 7.981) 10.016 6.036 ( 1.729 -9.681 6.189) 11.619 6.136 ( -0.923 -8.894 5.562) 10.531 6.297 ( -9.696 0.065 -2.849) 10.106 6.492 ( -8.824 6.632 -4.626) 11.968 6.540 ( -16.257 0.149 -3.530) 16.637 6.671 ( 5.420 -0.986 3.347) 6.446 6.716 ( -0.131 -7.690 5.439) 9.420 6.841 ( 1.822 -5.926 5.411) 8.230 6.991 ( -4.719 -8.314 0.259) 9.563 7.166 ( -2.676 10.233 2.629) 10.899 7.184 ( -1.535 -1.215 -4.077) 4.522 7.397 ( -2.221 2.461 -4.576) 5.651 7.527 ( 3.621 4.201 -5.617) 7.894 7.683 ( -7.074 1.089 1.299) 7.274 7.794 ( -0.893 1.272 2.877) 3.270 7.852 ( -5.379 -3.484 -0.656) 6.442 8.051 ( -7.542 -1.283 3.327) 8.342 8.065 ( -5.489 -11.794 7.137) 14.839 8.310 ( 5.127 -0.747 -6.328) 8.178 8.455 ( 16.925 -10.646 -4.826) 20.569 8.764 ( 3.519 6.760 2.007) 7.881 8.977 ( 3.085 1.719 -7.822) 8.582 9.097 ( -6.726 -6.891 2.827) 10.036 9.312 ( -4.300 -5.530 -2.379) 7.398 9.651 ( 0.897 6.902 2.273) 7.322 9.819 ( -4.880 5.546 6.409) 9.780 9.852 ( -0.902 9.309 -0.266) 9.357 10.242 ( -0.534 -0.214 -10.249) 10.265 10.489 ( 3.357 7.985 -2.569) 9.035 10.658 ( 5.721 0.996 0.073) 5.808 10.802 ( -1.705 11.358 11.074) 15.954 11.042 ( 0.299 5.540 3.147) 6.378 11.297 ( -2.115 -6.497 -0.349) 6.841 11.429 ( 3.305 -9.973 -1.926) 10.681 11.856 ( 3.912 6.474 2.903) 8.102 11.990 ( -0.847 -3.468 6.608) 7.511 12.107 ( 5.606 -4.811 -0.368) 7.397 12.225 ( -0.018 -5.283 -3.258) 6.206 12.537 ( -1.049 3.130 1.465) 3.612 12.704 ( 0.530 -4.871 0.742) 4.956 13.201 ( 2.148 -3.706 -6.464) 7.754 13.265 ( -0.265 -6.016 -6.604) 8.937 13.798 ( 6.441 1.979 -0.143) 6.740 13.908 ( 3.249 -3.888 0.860) 5.139 14.248 ( 2.705 4.701 -3.245) 6.321 14.424 ( -2.465 1.416 0.252) 2.854 14.456 ( 6.779 0.713 -4.002) 7.904 14.523 ( -1.134 -0.082 -5.595) 5.709 14.731 ( 3.789 4.926 -6.163) 8.753 14.773 ( 0.238 5.613 0.748) 5.668 14.841 ( -4.126 3.854 1.503) 5.842 14.904 ( -4.967 -1.930 -4.125) 6.739 15.062 ( -5.235 6.234 -0.746) 8.175 15.291 ( -4.368 -6.301 -0.523) 7.684 15.316 ( -0.592 2.727 1.817) 3.330 15.501 ( 3.358 -2.178 -3.486) 5.308 15.641 ( -0.872 0.046 0.695) 1.116 15.888 ( 7.027 -6.272 2.451) 9.733 16.006 ( -2.607 1.355 0.652) 3.009 16.153 ( -4.094 -7.942 4.717) 10.103 16.294 ( 1.727 -2.649 5.507) 6.351 16.397 ( 5.869 -2.699 1.479) 6.627 16.506 ( -6.689 0.890 -0.398) 6.760 16.578 ( -0.492 -4.760 0.470) 4.808 16.675 ( -0.221 -4.684 -0.080) 4.690 16.804 ( -4.656 -7.643 -2.952) 9.424 17.109 ( -9.386 11.012 3.432) 14.871 17.464 ( -9.087 -3.548 -2.112) 9.981 17.772 ( -0.861 -1.521 10.190) 10.339 17.953 ( -13.468 -6.557 6.436) 16.303 18.956 ( 10.821 6.509 -1.654) 12.736 19.150 ( 9.825 -4.337 -9.183) 14.130 20.607 ( 4.060 5.801 4.076) 8.170 20.849 ( 3.086 -5.966 3.589) 7.615 21.512 ( 5.563 7.867 -2.909) 10.065 21.569 ( 3.123 1.937 3.131) 4.828 21.724 ( -1.630 10.684 -0.381) 10.814 21.916 ( -6.581 0.387 -4.491) 7.976 21.973 ( 3.787 -1.527 0.720) 4.146 22.077 ( -2.035 -7.140 -3.563) 8.235 22.439 ( 3.111 15.903 3.113) 16.501 22.570 ( 1.210 6.589 -0.393) 6.711 22.648 ( 3.702 -0.144 5.298) 6.465 22.847 ( -2.227 3.015 -9.035) 9.781 23.009 ( 1.973 0.372 0.515) 2.073 23.067 ( -0.204 -5.420 0.980) 5.512 23.251 ( -0.202 2.507 3.262) 4.119 23.490 ( -0.094 -4.490 -0.314) 4.502 23.587 ( 3.574 1.730 2.247) 4.562 23.730 ( 2.370 -1.174 1.031) 2.839 24.064 ( 0.004 9.136 3.797) 9.894 24.410 ( 2.054 -4.439 -3.811) 6.201 24.445 ( -1.278 -0.205 -3.322) 3.565 24.605 ( 9.612 -13.615 6.341) 17.831 25.166 ( -13.289 1.245 0.099) 13.347 25.315 ( -9.369 -4.071 -1.565) 10.334 29.099 ( -2.092 5.049 -0.761) 5.518 29.344 ( -3.860 6.579 -5.869) 9.624 29.388 ( -1.157 -6.150 2.127) 6.609 29.537 ( -2.486 -2.315 0.935) 3.524 29.736 ( 1.998 1.205 0.200) 2.342 29.779 ( -0.717 0.201 0.740) 1.049 29.860 ( -2.147 -1.591 0.193) 2.679 29.896 ( 0.445 -1.878 0.863) 2.115 29.969 ( -2.051 0.528 0.559) 2.191 30.068 ( -3.997 -3.089 5.022) 7.123 30.172 ( 2.008 1.389 -1.751) 3.005 30.199 ( 4.043 0.213 -2.159) 4.588 30.434 ( -2.083 6.381 3.681) 7.655 30.563 ( 0.797 0.554 3.569) 3.699 30.617 ( 1.265 5.202 -1.687) 5.613 30.753 ( 2.710 0.911 4.874) 5.651 30.878 ( 3.518 -2.475 0.737) 4.364 30.991 ( -1.248 -2.988 5.532) 6.410 31.461 ( 1.469 4.578 0.279) 4.816 31.592 ( 0.079 4.486 -6.250) 7.694 31.744 ( -3.321 8.058 1.228) 8.802 32.033 ( -1.078 1.999 -8.606) 8.900 32.251 ( 1.574 2.525 -5.600) 6.341 32.383 ( 3.188 0.465 0.725) 3.302 32.564 ( 3.399 -9.821 -7.052) 12.560 32.675 ( -0.035 -13.678 0.586) 13.690 33.150 ( -16.403 6.027 6.954) 18.808 33.362 ( -13.977 -3.617 3.813) 14.932 34.068 ( 4.312 6.516 4.842) 9.192 34.351 ( 6.227 -6.938 3.959) 10.128 35.084 ( 12.605 5.008 -9.038) 16.299 35.394 ( 4.223 -10.775 -8.572) 14.402 ======================= Grid point 64 (32/80) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -19.091 19.438 -6.486) 28.007 2.803 ( 10.558 7.105 -1.936) 12.872 3.009 ( -2.636 5.364 0.849) 6.037 3.138 ( 3.977 9.091 3.428) 10.499 3.360 ( 0.672 5.017 0.816) 5.127 3.482 ( -9.073 11.243 -8.886) 16.962 3.524 ( 0.936 -3.421 0.810) 3.638 3.686 ( -0.937 9.343 10.890) 14.379 3.782 ( -5.372 1.710 -7.043) 9.022 3.877 ( 11.144 -5.438 -4.935) 13.346 4.035 ( -4.313 7.750 -6.769) 11.157 4.232 ( 3.182 -2.505 0.378) 4.067 4.302 ( 5.052 -6.634 -1.446) 8.463 4.465 ( -3.409 -2.389 1.463) 4.412 4.547 ( 4.935 -3.796 -2.302) 6.638 4.640 ( 9.554 0.067 -3.198) 10.075 4.713 ( -3.560 7.651 -4.789) 9.703 4.762 ( -5.342 0.358 -3.700) 6.508 4.967 ( 1.482 8.305 0.775) 8.472 5.042 ( -0.287 -12.839 -1.126) 12.892 5.167 ( 0.485 -3.025 -6.627) 7.301 5.179 ( -7.293 6.245 3.427) 10.194 5.279 ( 1.533 -1.789 4.421) 5.009 5.444 ( -8.954 12.720 6.442) 16.837 5.534 ( 2.917 12.578 -0.068) 12.912 5.676 ( 5.847 10.265 2.247) 12.025 5.736 ( -2.059 -3.673 6.027) 7.352 5.840 ( 6.025 2.830 8.454) 10.760 5.952 ( -2.619 -10.071 -5.695) 11.862 6.014 ( 2.118 -1.008 6.550) 6.957 6.108 ( 1.601 -5.566 6.027) 8.358 6.334 ( -2.771 -3.130 -4.380) 6.055 6.583 ( 4.857 0.166 -1.806) 5.185 6.667 ( -8.576 -9.331 0.700) 12.693 6.788 ( 3.437 -3.268 6.075) 7.707 6.828 ( -3.660 -5.062 0.113) 6.248 6.952 ( 0.417 -11.859 3.350) 12.330 7.079 ( 3.944 -2.957 -4.535) 6.698 7.185 ( 0.708 2.759 0.546) 2.900 7.446 ( 6.999 -8.389 2.041) 11.115 7.544 ( -2.980 7.612 4.054) 9.124 7.598 ( 2.961 -1.370 -5.758) 6.619 7.714 ( -5.091 2.282 -4.572) 7.213 7.809 ( -4.299 6.272 0.623) 7.630 7.888 ( -3.802 -16.011 10.216) 19.369 8.009 ( 3.611 -2.773 7.506) 8.779 8.567 ( 9.970 13.638 -3.040) 17.165 8.645 ( -3.602 -4.931 -6.525) 8.937 8.828 ( 11.176 -6.209 -8.462) 15.332 8.932 ( -5.520 0.306 -4.653) 7.226 9.099 ( 3.228 -6.638 -0.704) 7.414 9.174 ( -5.643 -6.455 -0.038) 8.574 9.645 ( -2.669 5.038 5.148) 7.681 9.733 ( -3.471 2.462 4.900) 6.490 9.822 ( -2.013 9.654 -0.519) 9.875 10.215 ( -1.752 -2.162 -9.240) 9.650 10.503 ( -1.158 8.471 -2.102) 8.804 10.725 ( -0.010 5.778 0.953) 5.856 10.783 ( -0.276 15.433 7.687) 17.243 11.072 ( 2.846 1.476 1.734) 3.645 11.262 ( -1.013 -7.835 2.651) 8.334 11.491 ( 1.017 -5.961 -0.560) 6.074 11.872 ( -4.159 -5.842 0.753) 7.210 11.902 ( -2.456 -3.203 8.142) 9.087 12.230 ( 2.941 0.984 -4.434) 5.411 12.289 ( 5.992 -2.262 -0.083) 6.406 12.571 ( 2.865 4.217 1.853) 5.425 12.694 ( -1.467 -2.720 0.615) 3.151 13.227 ( -0.359 -4.642 -6.511) 8.004 13.257 ( -0.034 -7.466 -4.214) 8.574 13.881 ( 0.512 1.485 -1.123) 1.931 13.937 ( -1.356 -1.171 1.330) 2.232 14.274 ( 0.726 1.987 -1.726) 2.730 14.324 ( -3.727 2.684 -2.822) 5.391 14.478 ( -1.583 3.746 -2.130) 4.591 14.612 ( 0.687 -2.882 -4.620) 5.489 14.710 ( -0.493 4.211 1.202) 4.406 14.777 ( 1.899 3.341 -1.760) 4.226 14.838 ( 3.429 2.299 -4.872) 6.386 14.973 ( 2.051 1.532 -0.921) 2.720 14.995 ( 4.830 3.803 -0.553) 6.172 15.157 ( -4.233 -6.850 -2.114) 8.325 15.299 ( -3.850 0.542 -1.612) 4.208 15.522 ( -0.883 -2.229 -5.774) 6.252 15.660 ( 0.506 2.286 1.709) 2.898 15.887 ( -1.265 0.119 -0.435) 1.343 16.044 ( -1.338 -4.564 3.188) 5.726 16.113 ( 2.144 -2.908 8.447) 9.187 16.253 ( -4.499 4.401 4.627) 7.812 16.383 ( -1.853 0.340 0.862) 2.072 16.436 ( 1.115 2.888 0.874) 3.217 16.644 ( -0.585 -7.772 2.473) 8.177 16.710 ( 5.134 -9.677 3.190) 11.409 16.797 ( 2.920 -10.048 2.530) 10.765 17.062 ( 3.716 5.435 -5.191) 8.384 17.351 ( 3.066 -3.890 -7.492) 8.981 17.701 ( -8.592 -1.953 10.013) 13.338 17.776 ( -0.977 -6.234 10.235) 12.024 19.078 ( 0.345 7.653 -3.015) 8.232 19.299 ( 3.601 -3.730 -6.286) 8.148 20.687 ( 2.666 5.201 6.801) 8.967 20.889 ( 0.362 -3.277 5.510) 6.421 21.511 ( -4.335 4.459 -2.947) 6.882 21.551 ( -4.866 4.498 -4.900) 8.242 21.751 ( 1.405 2.431 0.080) 2.809 21.758 ( -5.447 0.560 -5.301) 7.621 22.084 ( 5.614 0.964 1.794) 5.972 22.087 ( 2.399 -2.995 -5.138) 6.412 22.384 ( -5.295 17.164 1.390) 18.015 22.576 ( -1.325 6.109 0.549) 6.275 22.742 ( 0.535 1.009 1.796) 2.128 22.782 ( 0.344 2.663 -3.170) 4.154 23.026 ( -0.419 -3.259 1.064) 3.454 23.065 ( 0.544 -2.040 0.657) 2.212 23.302 ( 2.984 5.491 4.824) 7.895 23.489 ( 0.911 0.527 4.084) 4.217 23.627 ( 0.034 -5.151 -1.153) 5.278 23.733 ( -2.662 -5.038 0.128) 5.699 24.064 ( -0.126 10.530 2.191) 10.757 24.360 ( -2.159 -4.728 -5.513) 7.577 24.537 ( 3.689 -0.162 -1.308) 3.918 24.768 ( 0.681 -11.746 4.628) 12.644 24.913 ( -6.131 5.532 -1.548) 8.401 25.224 ( 3.698 -8.291 0.522) 9.093 29.080 ( 0.467 5.811 -0.518) 5.852 29.301 ( -0.183 6.791 -4.946) 8.403 29.380 ( 0.483 -6.261 1.700) 6.506 29.513 ( -0.011 -4.226 1.401) 4.452 29.747 ( -0.329 -1.008 0.832) 1.348 29.757 ( -0.600 -0.958 -0.142) 1.139 29.846 ( 0.236 -0.849 -1.463) 1.708 29.884 ( -2.303 -2.198 0.053) 3.184 29.955 ( 1.114 0.214 3.588) 3.763 30.018 ( 0.017 -1.841 3.142) 3.641 30.223 ( 3.017 2.930 -3.552) 5.505 30.285 ( 2.559 3.300 0.792) 4.250 30.378 ( -3.120 5.730 3.363) 7.340 30.567 ( -0.451 -4.092 3.828) 5.621 30.645 ( 1.002 6.627 -0.989) 6.775 30.837 ( 4.680 2.507 5.421) 7.587 30.925 ( 0.086 -4.575 1.387) 4.782 30.979 ( 0.055 -1.832 9.126) 9.308 31.473 ( 0.710 4.683 1.422) 4.945 31.587 ( 0.242 11.751 -4.716) 12.665 31.722 ( 1.625 -0.520 1.233) 2.105 32.040 ( 1.170 -2.563 -7.719) 8.217 32.172 ( -5.537 -0.467 -10.802) 12.148 32.453 ( -7.037 -9.554 -13.059) 17.645 32.595 ( 12.177 6.845 2.143) 14.132 32.757 ( -3.419 -0.286 0.340) 3.448 32.968 ( 5.292 -3.052 5.862) 8.467 33.105 ( -9.544 -6.613 4.295) 12.381 34.142 ( 1.901 6.950 7.239) 10.214 34.442 ( 1.769 -7.393 6.255) 9.844 35.267 ( 3.934 -0.094 -11.454) 12.111 35.363 ( -5.967 -4.802 -8.196) 11.218 ======================= Grid point 65 (33/80) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -19.634 29.379 -4.360) 35.604 2.671 ( -23.518 14.868 5.361) 28.335 3.020 ( 1.175 -2.714 -7.051) 7.647 3.141 ( 4.689 3.727 3.193) 6.788 3.326 ( 1.026 -3.425 -4.912) 6.076 3.466 ( 0.877 6.139 3.156) 6.958 3.587 ( -5.123 -2.546 2.319) 6.173 3.659 ( 8.133 -0.796 -2.019) 8.418 3.715 ( 1.877 5.101 -8.844) 10.380 3.972 ( -7.021 8.089 -5.818) 12.189 4.102 ( -10.408 -0.213 6.771) 12.418 4.161 ( -5.297 1.076 2.310) 5.878 4.224 ( 10.142 1.970 3.214) 10.820 4.431 ( -19.681 19.038 7.003) 28.264 4.511 ( -5.807 -0.552 -6.702) 8.885 4.594 ( -4.316 13.480 -7.478) 16.008 4.676 ( 2.287 6.887 -3.682) 8.137 4.753 ( 0.269 -14.434 -9.603) 17.339 4.957 ( -2.352 -3.971 1.848) 4.972 5.017 ( 5.311 3.998 3.706) 7.611 5.107 ( 1.726 -9.267 -6.222) 11.295 5.145 ( -1.809 -2.830 -11.430) 11.914 5.264 ( 2.533 -0.477 1.535) 3.000 5.329 ( 1.598 2.486 -1.526) 3.326 5.482 ( -8.055 1.519 7.466) 11.087 5.661 ( 1.316 1.587 6.049) 6.391 5.779 ( 2.841 -4.804 6.424) 8.510 5.846 ( 1.649 -3.526 12.275) 12.877 6.039 ( 1.594 -8.625 9.782) 13.138 6.217 ( -2.285 -10.548 0.214) 10.794 6.298 ( 6.200 -3.208 -2.050) 7.276 6.410 ( -7.937 -8.500 1.012) 11.674 6.470 ( 20.116 17.038 -4.850) 26.804 6.616 ( -3.151 1.437 -0.336) 3.480 6.763 ( 2.836 0.647 1.570) 3.305 6.852 ( 2.966 -0.760 3.314) 4.512 6.989 ( 3.219 -7.984 2.004) 8.839 7.207 ( 6.677 9.190 -1.339) 11.438 7.294 ( 7.439 -4.884 -1.302) 8.994 7.369 ( -9.490 3.638 -5.054) 11.350 7.576 ( -0.666 3.500 1.144) 3.742 7.672 ( 3.022 -3.555 -0.608) 4.705 7.726 ( 1.876 -6.280 7.080) 9.648 7.884 ( 18.956 -7.156 -1.096) 20.291 7.935 ( 3.935 -4.038 -0.775) 5.691 8.141 ( 7.872 -6.269 6.195) 11.817 8.345 ( -11.274 1.284 -0.789) 11.375 8.725 ( -9.716 -9.223 4.215) 14.044 8.906 ( -5.875 7.219 -4.265) 10.238 8.978 ( 15.312 4.341 -5.559) 16.858 9.080 ( -7.160 -1.813 -1.072) 7.464 9.171 ( 4.703 -2.856 -3.398) 6.467 9.562 ( -3.228 3.430 4.645) 6.616 9.645 ( -4.443 -1.087 0.603) 4.613 9.795 ( 0.068 6.751 -1.674) 6.956 10.183 ( -0.649 -2.626 -9.386) 9.768 10.486 ( 0.201 7.922 -4.585) 9.155 10.658 ( -6.155 9.650 2.660) 11.751 10.780 ( 0.204 11.927 4.016) 12.586 11.148 ( 3.034 0.007 2.678) 4.047 11.232 ( -2.254 -8.695 2.289) 9.270 11.478 ( -0.754 -4.035 -0.144) 4.108 11.719 ( -6.945 -0.528 3.917) 7.991 11.922 ( 1.363 -11.821 -0.117) 11.900 12.236 ( -2.419 7.335 1.781) 7.926 12.409 ( 3.421 -1.683 3.171) 4.959 12.567 ( -1.207 3.289 3.764) 5.143 12.707 ( 1.924 -5.226 -0.519) 5.593 13.175 ( -3.316 -4.830 -6.660) 8.870 13.262 ( -0.037 -8.227 -3.040) 8.771 13.812 ( -5.532 3.261 -3.990) 7.560 13.887 ( -2.787 -0.698 -0.941) 3.023 14.240 ( -2.308 3.587 -3.780) 5.699 14.318 ( -2.013 3.663 -1.961) 4.617 14.417 ( -0.288 2.933 -4.215) 5.143 14.605 ( 0.642 -2.638 -0.271) 2.728 14.724 ( -1.629 1.657 -4.100) 4.713 14.833 ( -0.821 -1.206 0.841) 1.684 14.887 ( 5.952 5.066 -1.662) 7.991 15.034 ( 1.836 2.695 -1.810) 3.730 15.097 ( 2.121 -3.142 1.680) 4.147 15.152 ( 2.200 -3.331 -2.602) 4.765 15.226 ( 1.404 4.386 -1.858) 4.966 15.489 ( -1.335 -2.771 -1.408) 3.383 15.666 ( 1.724 3.306 1.921) 4.194 15.811 ( -8.501 -2.296 -4.188) 9.750 16.050 ( -4.610 4.666 1.680) 6.771 16.087 ( 4.209 0.424 3.237) 5.327 16.186 ( -0.532 -3.785 2.658) 4.656 16.410 ( 2.338 -6.349 1.418) 6.913 16.544 ( 6.758 0.493 0.535) 6.797 16.610 ( -3.030 -9.424 4.966) 11.075 16.789 ( 3.806 -5.213 4.481) 7.857 16.915 ( 8.447 -6.876 1.804) 11.040 17.203 ( 9.867 6.540 -0.409) 11.845 17.539 ( 3.362 -3.748 2.212) 5.499 17.654 ( 10.729 -2.050 -1.081) 10.976 17.750 ( -0.103 -4.501 7.885) 9.080 18.970 ( -10.176 9.343 -2.283) 14.002 19.284 ( -5.160 -6.818 -3.705) 9.319 20.708 ( -0.845 2.941 9.291) 9.782 20.862 ( -2.856 -3.440 5.125) 6.801 21.360 ( -8.419 3.969 -7.378) 11.877 21.440 ( -5.071 1.791 -3.519) 6.427 21.627 ( -2.954 5.343 -9.078) 10.939 21.829 ( 2.876 0.866 3.973) 4.981 22.089 ( -2.830 0.851 -1.213) 3.195 22.190 ( 3.282 1.989 -0.110) 3.839 22.301 ( -2.060 13.120 -1.579) 13.374 22.510 ( -3.065 2.019 -2.161) 4.260 22.709 ( -1.689 1.865 0.449) 2.556 22.845 ( 3.128 1.666 1.424) 3.820 23.003 ( -1.635 -4.248 0.488) 4.577 23.067 ( -1.027 5.413 -2.652) 6.114 23.310 ( -2.625 0.102 8.107) 8.522 23.545 ( 2.471 0.256 2.969) 3.871 23.586 ( -1.917 -5.235 0.116) 5.576 23.626 ( -7.592 -7.607 -4.185) 11.533 24.070 ( 0.833 11.526 3.886) 12.192 24.310 ( -2.476 -1.522 -4.057) 4.990 24.509 ( -1.771 -0.004 0.117) 1.775 24.670 ( -5.540 -8.468 4.514) 11.081 25.042 ( 13.003 7.591 -4.168) 15.623 25.409 ( 10.380 -10.300 1.725) 14.724 29.116 ( 2.666 5.540 -0.411) 6.162 29.321 ( 1.806 7.902 -4.144) 9.104 29.412 ( 2.376 -6.421 0.739) 6.886 29.530 ( 1.516 -3.669 1.337) 4.189 29.738 ( 0.035 -2.114 0.101) 2.116 29.762 ( -0.257 -2.973 -0.769) 3.081 29.839 ( -0.174 -0.569 -0.508) 0.782 29.859 ( 0.352 -0.572 0.334) 0.750 29.994 ( 2.042 0.701 2.893) 3.610 30.050 ( 2.196 -1.238 2.040) 3.242 30.253 ( -2.549 6.090 0.832) 6.654 30.312 ( 0.415 4.326 -0.460) 4.370 30.333 ( 1.497 3.816 2.619) 4.865 30.568 ( 0.982 -6.883 1.199) 7.055 30.655 ( 0.017 6.061 -0.005) 6.061 30.881 ( -3.032 -2.310 7.271) 8.209 30.938 ( 2.613 0.123 2.918) 3.918 30.974 ( -0.101 -0.798 7.929) 7.970 31.522 ( 4.169 5.169 3.460) 7.488 31.619 ( 2.273 13.524 -5.187) 14.662 31.806 ( 5.608 -2.781 2.639) 6.793 32.014 ( -6.233 -3.190 -10.349) 12.495 32.077 ( -3.001 -4.062 -7.709) 9.216 32.272 ( -6.495 -5.634 -6.625) 10.854 32.638 ( -4.322 -1.892 -2.213) 5.211 32.810 ( 0.683 -3.811 -1.333) 4.095 33.068 ( 12.867 4.020 7.004) 15.191 33.230 ( 15.385 -2.483 1.965) 15.708 34.149 ( -0.926 6.723 7.010) 9.757 34.422 ( -3.587 -6.681 7.066) 10.364 35.124 ( -14.162 0.588 -6.923) 15.775 35.262 ( -6.451 -6.781 -14.879) 17.578 ======================= Grid point 66 (34/80) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -10.995 37.371 2.150) 39.014 2.138 ( -21.634 29.641 10.924) 38.288 2.950 ( -7.105 -4.890 -4.506) 9.731 3.231 ( -16.632 10.072 14.174) 24.061 3.305 ( 7.381 -5.993 -0.675) 9.532 3.385 ( 6.383 -3.718 0.139) 7.388 3.573 ( -6.659 -5.274 0.837) 8.535 3.745 ( -3.736 17.068 5.126) 18.209 3.786 ( 0.338 0.009 -9.367) 9.374 3.843 ( 5.524 0.305 -6.328) 8.405 3.902 ( -0.970 8.791 8.616) 12.348 3.992 ( -5.992 11.598 -1.258) 13.115 4.144 ( -4.920 6.855 3.339) 9.075 4.372 ( 1.658 -3.402 -2.438) 4.502 4.456 ( -2.930 3.436 -3.725) 5.854 4.559 ( -2.273 -3.260 -11.291) 11.969 4.636 ( -0.607 0.610 -6.721) 6.776 4.775 ( 2.616 -0.610 -3.130) 4.124 4.882 ( -5.150 -8.484 -3.778) 10.620 4.964 ( -10.883 -7.347 -9.300) 16.090 5.091 ( -0.351 -7.431 -4.799) 8.853 5.214 ( 5.462 2.684 -1.204) 6.203 5.312 ( 4.020 1.521 -1.229) 4.470 5.422 ( 2.366 0.113 -0.283) 2.385 5.478 ( 6.525 -2.192 0.098) 6.884 5.645 ( -6.687 -9.284 0.235) 11.443 5.858 ( 6.226 4.206 10.354) 12.793 5.965 ( 1.865 -10.301 16.550) 19.583 5.985 ( -0.883 -6.614 8.384) 10.715 6.201 ( 3.273 -5.898 12.447) 14.157 6.318 ( 0.787 5.021 -2.244) 5.555 6.371 ( 1.823 2.551 -0.317) 3.151 6.573 ( 1.803 0.683 -3.375) 3.887 6.671 ( 1.057 5.384 -7.015) 8.906 6.874 ( -0.118 -2.381 -5.787) 6.259 6.962 ( 6.455 -1.226 10.870) 12.701 7.075 ( 6.080 5.699 -5.126) 9.784 7.242 ( 0.070 0.909 0.067) 0.914 7.382 ( 2.410 -1.436 -6.134) 6.745 7.456 ( 11.039 0.190 2.249) 11.268 7.549 ( 0.046 3.836 1.258) 4.037 7.738 ( 2.658 -10.002 3.372) 10.885 7.824 ( 4.692 3.320 3.259) 6.607 7.951 ( -4.475 -0.987 -3.101) 5.533 8.061 ( -10.925 -9.205 3.810) 14.785 8.150 ( 0.082 -2.512 2.841) 3.794 8.370 ( 0.637 1.619 4.306) 4.644 8.647 ( 8.427 -8.619 4.872) 13.002 8.735 ( -4.790 3.450 4.755) 7.580 8.922 ( -3.254 1.887 -3.231) 4.959 9.110 ( -0.938 -0.908 -1.389) 1.906 9.290 ( 3.352 -0.698 -6.292) 7.163 9.579 ( 5.637 0.764 -4.299) 7.130 9.584 ( -0.639 1.075 -3.047) 3.294 9.824 ( 2.805 8.678 -3.496) 9.767 10.152 ( -3.287 2.968 -8.673) 9.738 10.490 ( -1.054 7.145 -3.752) 8.139 10.503 ( -6.224 11.088 0.223) 12.718 10.809 ( 2.285 -0.984 6.108) 6.596 11.133 ( -2.319 2.187 4.400) 5.434 11.239 ( 2.183 -7.292 -3.586) 8.414 11.481 ( 0.209 -4.988 -0.660) 5.036 11.592 ( -4.634 3.600 3.272) 6.719 11.944 ( 0.734 -11.830 0.292) 11.857 12.144 ( -5.353 7.806 6.537) 11.503 12.387 ( -3.536 -2.410 6.708) 7.957 12.616 ( 3.731 0.840 1.351) 4.056 12.730 ( 0.267 -5.481 1.509) 5.691 13.119 ( -1.452 -3.314 -5.922) 6.939 13.256 ( -0.195 -9.076 -4.561) 10.160 13.700 ( -4.352 4.205 -5.860) 8.424 13.816 ( -3.337 -2.026 -2.403) 4.584 14.188 ( -1.892 3.562 -3.660) 5.446 14.230 ( -5.029 2.167 -6.739) 8.683 14.457 ( 2.222 1.533 -5.758) 6.359 14.619 ( -1.794 7.923 5.101) 9.592 14.638 ( -2.182 -7.818 -7.525) 11.068 14.796 ( -1.926 -0.298 2.237) 2.967 14.993 ( 1.856 5.429 2.263) 6.168 15.056 ( 2.370 3.442 -2.633) 4.939 15.152 ( 1.797 5.413 2.906) 6.401 15.228 ( 6.842 -0.212 -0.876) 6.901 15.326 ( 4.288 -0.090 -3.046) 5.260 15.490 ( 0.374 1.886 2.529) 3.177 15.572 ( -10.182 -0.221 -4.353) 11.076 15.739 ( 4.092 -5.064 2.010) 6.814 15.927 ( -4.967 -3.063 -0.823) 5.893 16.144 ( -1.585 -7.861 1.493) 8.157 16.265 ( 5.214 0.959 -0.883) 5.374 16.372 ( -4.821 -10.713 2.546) 12.020 16.593 ( 3.761 -4.044 4.006) 6.823 16.645 ( 2.896 -4.916 -2.589) 6.265 16.972 ( 8.197 1.025 4.234) 9.283 17.076 ( 5.171 -1.003 0.502) 5.291 17.371 ( 5.779 2.613 5.969) 8.709 17.649 ( 2.637 -8.393 3.216) 9.367 17.713 ( 7.215 11.096 5.990) 14.528 18.051 ( 18.410 -4.255 -5.059) 19.561 18.681 ( -14.940 9.369 -0.635) 17.646 19.082 ( -13.096 -11.725 -2.971) 17.828 20.660 ( -3.582 1.539 8.374) 9.237 20.788 ( -3.447 -5.379 3.679) 7.372 21.203 ( -5.001 3.617 -5.247) 8.101 21.378 ( 0.684 -2.262 -5.384) 5.880 21.640 ( 3.810 9.861 -3.983) 11.297 21.864 ( 0.476 6.679 3.299) 7.464 21.989 ( -5.177 2.896 -0.138) 5.933 22.197 ( -2.670 -2.210 1.544) 3.794 22.298 ( 1.346 6.682 -3.382) 7.609 22.447 ( -3.292 -3.123 -1.659) 4.832 22.686 ( 0.049 4.072 1.981) 4.529 22.894 ( -0.866 -0.794 -2.272) 2.558 22.954 ( -2.687 -1.256 -0.784) 3.068 23.024 ( -1.070 8.028 -3.220) 8.716 23.205 ( -5.588 -7.829 3.734) 10.318 23.439 ( -7.235 -5.657 -2.303) 9.468 23.536 ( -0.019 1.515 1.174) 1.917 23.631 ( 2.473 1.608 2.503) 3.869 24.091 ( 0.693 11.964 7.426) 14.099 24.318 ( 2.674 4.032 -0.684) 4.886 24.461 ( -3.192 -3.162 0.643) 4.539 24.630 ( 1.270 -8.280 1.757) 8.559 25.319 ( 11.446 6.166 -4.073) 13.624 25.598 ( 6.306 -8.280 0.634) 10.427 29.175 ( 2.232 3.842 -0.606) 4.485 29.371 ( 2.934 8.930 -4.733) 10.524 29.462 ( 1.705 -9.053 1.262) 9.298 29.582 ( 3.194 1.282 -0.633) 3.499 29.720 ( -1.877 -3.020 -0.035) 3.556 29.761 ( 0.941 -1.898 0.294) 2.138 29.849 ( 0.640 1.305 -0.929) 1.725 29.892 ( 2.230 -1.050 0.217) 2.474 30.024 ( 0.713 1.061 2.031) 2.400 30.090 ( 1.107 -0.982 2.219) 2.667 30.200 ( -1.685 3.256 1.772) 4.072 30.260 ( -2.669 1.705 2.917) 4.305 30.434 ( 4.744 4.175 -1.927) 6.606 30.598 ( 0.790 -1.835 -2.145) 2.931 30.670 ( 2.381 1.083 2.157) 3.390 30.795 ( -4.448 -1.566 4.710) 6.665 30.917 ( -2.759 2.270 6.251) 7.200 31.032 ( 3.475 -1.743 3.958) 5.547 31.566 ( -8.776 9.940 -6.523) 14.777 31.677 ( 8.016 3.463 3.816) 9.530 31.831 ( -6.205 -1.596 -8.893) 10.961 31.907 ( -6.321 -4.273 -6.051) 9.738 31.978 ( 5.743 -2.977 9.509) 11.501 32.271 ( 2.950 -1.857 -1.362) 3.742 32.538 ( -5.253 -2.350 -6.780) 8.892 32.803 ( 1.549 -11.828 4.135) 12.625 33.486 ( 20.217 6.921 2.106) 21.473 33.597 ( 18.354 -0.632 2.760) 18.571 34.153 ( 3.639 5.364 4.212) 7.731 34.321 ( -4.242 -3.874 5.107) 7.686 34.761 ( -18.649 2.745 -5.388) 19.605 34.974 ( -20.485 -8.686 -15.600) 27.174 ======================= Grid point 67 (35/80) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 4.925 -30.480 7.794) 31.844 2.395 ( 4.925 30.480 7.794) 31.844 2.720 ( 0.753 -35.506 3.807) 35.717 2.720 ( 0.753 35.506 3.807) 35.717 3.400 ( -1.826 -2.621 3.162) 4.494 3.400 ( -1.826 2.621 3.162) 4.494 3.665 ( 1.105 -8.099 -1.531) 8.316 3.665 ( 1.105 8.099 -1.531) 8.316 3.880 ( 0.257 -1.744 -6.853) 7.076 3.880 ( 0.257 1.744 -6.853) 7.076 4.107 ( -4.788 -5.341 -4.629) 8.536 4.107 ( -4.788 5.341 -4.629) 8.536 4.254 ( 8.064 -10.076 -7.108) 14.733 4.254 ( 8.064 10.076 -7.108) 14.733 4.458 ( -0.250 -6.977 -0.183) 6.984 4.458 ( -0.250 6.977 -0.183) 6.984 4.633 ( -2.954 -6.632 -6.961) 10.058 4.633 ( -2.954 6.632 -6.961) 10.058 4.916 ( -9.009 -21.442 6.079) 24.039 4.916 ( -9.009 21.442 6.079) 24.039 4.979 ( 4.839 -15.408 2.436) 16.333 4.979 ( 4.839 15.408 2.436) 16.333 5.318 ( 0.306 -3.217 -3.134) 4.502 5.318 ( 0.306 3.217 -3.134) 4.502 5.496 ( 0.253 -4.167 -2.592) 4.913 5.496 ( 0.253 4.167 -2.592) 4.913 5.924 ( -3.383 -4.549 6.834) 8.879 5.924 ( -3.383 4.549 6.834) 8.879 6.147 ( 3.427 -11.067 9.526) 14.999 6.147 ( 3.427 11.067 9.526) 14.999 6.491 ( 3.387 -4.574 -7.436) 9.364 6.491 ( 3.387 4.574 -7.436) 9.364 6.631 ( 3.041 -8.301 5.060) 10.187 6.631 ( 3.041 8.301 5.060) 10.187 7.067 ( -7.824 -8.422 3.963) 12.159 7.067 ( -7.824 8.422 3.963) 12.159 7.223 ( 9.282 -12.417 0.029) 15.503 7.223 ( 9.282 12.417 0.029) 15.503 7.383 ( -0.923 -3.396 0.408) 3.543 7.383 ( -0.923 3.396 0.408) 3.543 7.609 ( -1.565 -4.961 3.842) 6.467 7.609 ( -1.565 4.961 3.842) 6.467 7.748 ( -7.238 -1.159 -0.657) 7.360 7.748 ( -7.238 1.159 -0.657) 7.360 8.015 ( -0.874 -7.063 -0.135) 7.118 8.015 ( -0.874 7.063 -0.135) 7.118 8.569 ( 0.786 -10.639 4.997) 11.781 8.569 ( 0.786 10.639 4.997) 11.781 8.755 ( -6.261 -6.384 -0.724) 8.971 8.755 ( -6.261 6.384 -0.724) 8.971 9.257 ( 4.016 -4.048 -3.244) 6.560 9.257 ( 4.016 4.048 -3.244) 6.560 9.661 ( 6.809 -3.143 -4.411) 8.700 9.661 ( 6.809 3.143 -4.411) 8.700 10.097 ( 1.223 -4.412 -6.750) 8.156 10.097 ( 1.223 4.412 -6.750) 8.156 10.498 ( -3.071 -6.185 1.493) 7.065 10.498 ( -3.071 6.185 1.493) 7.065 11.022 ( 3.656 -17.115 -3.660) 17.880 11.022 ( 3.656 17.115 -3.660) 17.880 11.280 ( -2.517 -10.642 1.002) 10.981 11.280 ( -2.517 10.642 1.002) 10.981 11.742 ( 2.670 -11.922 0.171) 12.218 11.742 ( 2.670 11.922 0.171) 12.218 12.185 ( -4.496 -8.456 8.966) 13.119 12.185 ( -4.496 8.456 8.966) 13.119 12.669 ( -0.587 -1.667 1.601) 2.385 12.669 ( -0.587 1.667 1.601) 2.385 13.130 ( 1.027 -4.147 -4.664) 6.325 13.130 ( 1.027 4.147 -4.664) 6.325 13.714 ( -0.638 -3.436 -4.887) 6.008 13.714 ( -0.638 3.436 -4.887) 6.008 14.159 ( -1.283 -1.369 -7.692) 7.917 14.159 ( -1.283 1.369 -7.692) 7.917 14.542 ( 1.717 -4.791 -4.543) 6.822 14.542 ( 1.717 4.791 -4.543) 6.822 14.719 ( -0.556 -5.261 2.110) 5.695 14.719 ( -0.556 5.261 2.110) 5.695 15.134 ( 1.742 -2.300 0.042) 2.885 15.134 ( 1.742 2.300 0.042) 2.885 15.324 ( -1.466 -1.207 -1.013) 2.152 15.324 ( -1.466 1.207 -1.013) 2.152 15.431 ( 0.787 -5.566 0.824) 5.681 15.431 ( 0.787 5.566 0.824) 5.681 15.602 ( 1.701 -12.007 1.707) 12.246 15.602 ( 1.701 12.007 1.707) 12.246 15.823 ( -1.070 -4.183 2.525) 5.002 15.823 ( -1.070 4.183 2.525) 5.002 16.289 ( -1.963 -1.679 3.735) 4.542 16.289 ( -1.963 1.679 3.735) 4.542 16.631 ( 1.812 -1.792 -3.205) 4.094 16.631 ( 1.812 1.792 -3.205) 4.094 17.077 ( -3.939 -3.560 -1.791) 5.603 17.077 ( -3.939 3.560 -1.791) 5.603 17.513 ( 0.097 -6.691 6.355) 9.229 17.513 ( 0.097 6.691 6.355) 9.229 18.270 ( 10.371 -15.604 -0.086) 18.736 18.270 ( 10.371 15.604 -0.086) 18.736 18.538 ( -8.867 -6.398 -1.459) 11.032 18.538 ( -8.867 6.398 -1.459) 11.032 20.633 ( -2.028 -4.140 3.391) 5.722 20.633 ( -2.028 4.140 3.391) 5.722 21.307 ( 4.258 -7.682 -3.191) 9.345 21.307 ( 4.258 7.682 -3.191) 9.345 21.911 ( 4.381 -4.766 1.196) 6.583 21.911 ( 4.381 4.766 1.196) 6.583 22.031 ( -2.802 -6.753 3.109) 7.944 22.031 ( -2.802 6.753 3.109) 7.944 22.335 ( -0.145 -1.359 -2.155) 2.552 22.335 ( -0.145 1.359 -2.155) 2.552 22.794 ( 0.704 -3.121 -1.993) 3.770 22.794 ( 0.704 3.121 -1.993) 3.770 23.025 ( -0.403 -5.042 1.249) 5.210 23.025 ( -0.403 5.042 1.249) 5.210 23.193 ( 0.269 -8.745 -4.956) 10.055 23.193 ( 0.269 8.745 -4.956) 10.055 23.649 ( 1.176 -4.644 4.308) 6.443 23.649 ( 1.176 4.644 4.308) 6.443 24.273 ( -2.761 -8.701 4.050) 9.987 24.273 ( -2.761 8.701 4.050) 9.987 24.491 ( 0.641 -8.459 0.814) 8.522 24.491 ( 0.641 8.459 0.814) 8.522 25.551 ( 0.158 -4.497 -2.424) 5.111 25.551 ( 0.158 4.497 -2.424) 5.111 29.290 ( -0.844 -7.600 0.568) 7.668 29.290 ( -0.844 7.600 0.568) 7.668 29.601 ( 3.233 -7.149 -3.112) 8.441 29.601 ( 3.233 7.149 -3.112) 8.441 29.708 ( -1.632 -3.884 0.974) 4.324 29.708 ( -1.632 3.884 0.974) 4.324 29.895 ( 0.149 -0.783 -0.903) 1.205 29.895 ( 0.149 0.783 -0.903) 1.205 30.074 ( 1.013 -1.645 2.267) 2.978 30.074 ( 1.013 1.645 2.267) 2.978 30.185 ( -2.682 -1.979 3.124) 4.568 30.185 ( -2.682 1.979 3.124) 4.568 30.577 ( 1.324 -3.372 -0.462) 3.652 30.577 ( 1.324 3.372 -0.462) 3.652 30.706 ( -2.429 -1.216 -0.729) 2.813 30.706 ( -2.429 1.216 -0.729) 2.813 30.965 ( -2.139 -8.037 4.102) 9.274 30.965 ( -2.139 8.037 4.102) 9.274 31.512 ( -4.638 -11.070 -8.002) 14.425 31.512 ( -4.638 11.070 -8.002) 14.425 31.956 ( 8.366 -3.485 2.631) 9.437 31.956 ( 8.366 3.485 2.631) 9.437 32.163 ( 0.206 -8.471 1.862) 8.676 32.163 ( 0.206 8.471 1.862) 8.676 32.564 ( -2.410 -11.910 0.034) 12.151 32.564 ( -2.410 11.910 0.034) 12.151 33.801 ( 2.021 -2.179 2.900) 4.153 33.801 ( 2.021 2.179 2.900) 4.153 34.290 ( -9.280 -2.108 -3.883) 10.278 34.290 ( -9.280 2.108 -3.883) 10.278 34.551 ( 7.735 -4.596 -3.045) 9.498 34.551 ( 7.735 4.596 -3.045) 9.498 ======================= Grid point 69 (36/80) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 17.484 -14.528 9.838) 24.770 2.658 ( 17.484 14.528 9.838) 24.770 2.931 ( 15.091 -21.824 0.761) 26.544 2.931 ( 15.091 21.824 0.761) 26.544 3.269 ( -4.156 -3.736 0.183) 5.592 3.269 ( -4.156 3.736 0.183) 5.592 3.646 ( -5.291 -5.981 -1.899) 8.207 3.646 ( -5.291 5.981 -1.899) 8.207 3.812 ( -5.402 -4.919 -4.956) 8.828 3.812 ( -5.402 4.919 -4.956) 8.828 4.123 ( 2.274 -4.052 4.142) 6.225 4.123 ( 2.274 4.052 4.142) 6.225 4.392 ( -1.402 -6.749 -3.952) 7.946 4.392 ( -1.402 6.749 -3.952) 7.946 4.492 ( 8.922 -4.714 -16.356) 19.218 4.492 ( 8.922 4.714 -16.356) 19.218 4.700 ( 5.934 -1.550 -0.523) 6.155 4.700 ( 5.934 1.550 -0.523) 6.155 4.829 ( 5.102 -16.358 -5.308) 17.938 4.829 ( 5.102 16.358 -5.308) 17.938 5.119 ( 8.317 -16.275 4.951) 18.936 5.119 ( 8.317 16.275 4.951) 18.936 5.267 ( -5.127 -3.672 -0.524) 6.328 5.267 ( -5.127 3.672 -0.524) 6.328 5.510 ( 1.238 -4.400 0.004) 4.571 5.510 ( 1.238 4.400 0.004) 4.571 5.802 ( -5.106 -11.434 8.409) 15.084 5.802 ( -5.106 11.434 8.409) 15.084 6.079 ( -12.285 -13.981 13.666) 23.090 6.079 ( -12.285 13.981 13.666) 23.090 6.533 ( 2.435 -9.340 -5.355) 11.038 6.533 ( 2.435 9.340 -5.355) 11.038 6.666 ( -0.001 -12.190 2.596) 12.464 6.666 ( -0.001 12.190 2.596) 12.464 6.841 ( -11.977 -6.155 6.342) 14.885 6.841 ( -11.977 6.155 6.342) 14.885 7.227 ( -6.820 -3.433 -3.860) 8.556 7.227 ( -6.820 3.433 -3.860) 8.556 7.398 ( 0.083 -12.845 0.050) 12.845 7.398 ( 0.083 12.845 0.050) 12.845 7.607 ( 2.838 -1.153 3.119) 4.372 7.607 ( 2.838 1.153 3.119) 4.372 7.833 ( 11.140 -5.571 -6.421) 14.012 7.833 ( 11.140 5.571 -6.421) 14.012 7.936 ( -6.435 -4.074 1.884) 7.846 7.936 ( -6.435 4.074 1.884) 7.846 8.414 ( -12.875 -3.134 0.335) 13.255 8.414 ( -12.875 3.134 0.335) 13.255 8.747 ( 6.600 -6.111 1.286) 9.086 8.747 ( 6.600 6.111 1.286) 9.086 9.275 ( -2.610 -4.674 -1.759) 5.635 9.275 ( -2.610 4.674 -1.759) 5.635 9.779 ( 1.815 -6.894 1.773) 7.346 9.779 ( 1.815 6.894 1.773) 7.346 10.137 ( 1.504 -8.900 -4.543) 10.105 10.137 ( 1.504 8.900 -4.543) 10.105 10.493 ( 3.858 -4.584 -1.981) 6.311 10.493 ( 3.858 4.584 -1.981) 6.311 11.083 ( 1.470 -16.353 -0.437) 16.424 11.083 ( 1.470 16.353 -0.437) 16.424 11.221 ( -2.403 -9.103 0.355) 9.421 11.221 ( -2.403 9.103 0.355) 9.421 11.851 ( 7.287 -9.648 0.223) 12.092 11.851 ( 7.287 9.648 0.223) 12.092 12.105 ( -3.261 -9.200 6.023) 11.470 12.105 ( -3.261 9.200 6.023) 11.470 12.632 ( -2.203 -2.709 1.245) 3.707 12.632 ( -2.203 2.709 1.245) 3.707 13.159 ( 1.571 -3.473 -5.101) 6.368 13.159 ( 1.571 3.473 -5.101) 6.368 13.748 ( 3.559 -3.980 -3.290) 6.272 13.748 ( 3.559 3.980 -3.290) 6.272 14.215 ( 6.289 -3.584 -6.929) 10.020 14.215 ( 6.289 3.584 -6.929) 10.020 14.543 ( -1.787 -4.461 -3.556) 5.979 14.543 ( -1.787 4.461 -3.556) 5.979 14.732 ( 1.776 -4.786 -0.689) 5.151 14.732 ( 1.776 4.786 -0.689) 5.151 15.098 ( -6.646 -1.912 0.256) 6.921 15.098 ( -6.646 1.912 0.256) 6.921 15.275 ( -1.566 -3.197 1.834) 4.005 15.275 ( -1.566 3.197 1.834) 4.005 15.393 ( -2.652 -8.196 -1.187) 8.696 15.393 ( -2.652 8.196 -1.187) 8.696 15.631 ( 2.772 -1.614 2.664) 4.170 15.631 ( 2.772 1.614 2.664) 4.170 15.983 ( 11.694 -1.471 1.214) 11.849 15.983 ( 11.694 1.471 1.214) 11.849 16.205 ( -4.831 -2.203 2.941) 6.070 16.205 ( -4.831 2.203 2.941) 6.070 16.627 ( -2.151 -1.586 -2.611) 3.736 16.627 ( -2.151 1.586 -2.611) 3.736 16.900 ( -11.210 -4.551 -1.147) 12.153 16.900 ( -11.210 4.551 -1.147) 12.153 17.459 ( -4.764 -8.383 6.180) 11.453 17.459 ( -4.764 8.383 6.180) 11.453 18.090 ( -14.642 -12.191 2.570) 19.225 18.090 ( -14.642 12.191 2.570) 19.225 18.759 ( 16.494 -5.820 -3.852) 17.910 18.759 ( 16.494 5.820 -3.852) 17.910 20.641 ( 2.634 -5.971 2.428) 6.964 20.641 ( 2.634 5.971 2.428) 6.964 21.448 ( 8.152 -5.767 0.129) 9.987 21.448 ( 8.152 5.767 0.129) 9.987 21.953 ( -1.598 -6.344 1.708) 6.761 21.953 ( -1.598 6.344 1.708) 6.761 21.986 ( -1.549 -6.428 -1.421) 6.763 21.986 ( -1.549 6.428 -1.421) 6.763 22.420 ( 7.954 -2.431 0.562) 8.336 22.420 ( 7.954 2.431 0.562) 8.336 22.819 ( 0.671 -5.997 -1.934) 6.337 22.819 ( 0.671 5.997 -1.934) 6.337 23.015 ( -0.601 -2.795 0.509) 2.904 23.015 ( -0.601 2.795 0.509) 2.904 23.250 ( 4.530 -5.552 -5.153) 8.826 23.250 ( 4.530 5.552 -5.153) 8.826 23.668 ( 0.813 -5.673 5.543) 7.973 23.668 ( 0.813 5.673 5.543) 7.973 24.224 ( -0.724 -9.004 4.148) 9.940 24.224 ( -0.724 9.004 4.148) 9.940 24.473 ( -2.052 -5.868 -0.364) 6.228 24.473 ( -2.052 5.868 -0.364) 6.228 25.453 ( -8.580 -3.330 -1.761) 9.371 25.453 ( -8.580 3.330 -1.761) 9.371 29.260 ( -1.703 -7.665 0.078) 7.853 29.260 ( -1.703 7.665 0.078) 7.853 29.571 ( -5.186 -4.874 -1.298) 7.235 29.571 ( -5.186 4.874 -1.298) 7.235 29.736 ( 3.641 -4.747 0.249) 5.988 29.736 ( 3.641 4.747 0.249) 5.988 29.874 ( -1.658 -0.492 -1.509) 2.295 29.874 ( -1.658 0.492 -1.509) 2.295 30.080 ( -2.247 -1.642 2.940) 4.049 30.080 ( -2.247 1.642 2.940) 4.049 30.149 ( 0.355 -0.872 0.962) 1.346 30.149 ( 0.355 0.872 0.962) 1.346 30.568 ( -2.391 -3.709 1.494) 4.659 30.568 ( -2.391 3.709 1.494) 4.659 30.668 ( 1.148 -4.659 -0.128) 4.800 30.668 ( 1.148 4.659 -0.128) 4.800 30.920 ( -1.528 -7.904 3.019) 8.598 30.920 ( -1.528 7.904 3.019) 8.598 31.509 ( 2.280 -7.045 -5.607) 9.288 31.509 ( 2.280 7.045 -5.607) 9.288 32.062 ( -1.760 -7.633 -5.063) 9.327 32.062 ( -1.760 7.633 -5.063) 9.327 32.208 ( 7.728 -5.749 7.721) 12.344 32.208 ( 7.728 5.749 7.721) 12.344 32.487 ( -4.427 -12.018 -3.283) 13.221 32.487 ( -4.427 12.018 -3.283) 13.221 33.643 ( -16.359 -2.588 3.689) 16.968 33.643 ( -16.359 2.588 3.689) 16.968 34.116 ( 0.752 -5.149 -0.185) 5.207 34.116 ( 0.752 5.149 -0.185) 5.207 34.921 ( 17.832 -10.208 -5.706) 21.325 34.921 ( 17.832 10.208 -5.706) 21.325 ======================= Grid point 71 (37/80) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -2.460 -14.962 1.192) 15.209 2.929 ( -2.460 14.962 1.192) 15.209 3.112 ( 15.313 -15.037 1.995) 21.555 3.112 ( 15.313 15.037 1.995) 21.555 3.462 ( -8.859 -14.649 -2.396) 17.286 3.462 ( -8.859 14.649 -2.396) 17.286 3.550 ( 19.010 -8.159 -2.790) 20.874 3.550 ( 19.010 8.159 -2.790) 20.874 3.707 ( -2.696 -3.758 -5.749) 7.378 3.707 ( -2.696 3.758 -5.749) 7.378 4.085 ( -3.146 -5.667 8.141) 10.406 4.085 ( -3.146 5.667 8.141) 10.406 4.357 ( -1.780 -6.472 -8.444) 10.787 4.357 ( -1.780 6.472 -8.444) 10.787 4.655 ( 2.065 -4.764 -5.333) 7.443 4.655 ( 2.065 4.764 -5.333) 7.443 4.829 ( 8.141 -9.958 -11.672) 17.368 4.829 ( 8.141 9.958 -11.672) 17.368 4.889 ( -5.463 -11.948 -6.622) 14.712 4.889 ( -5.463 11.948 -6.622) 14.712 5.210 ( 2.474 -3.542 5.318) 6.852 5.210 ( 2.474 3.542 5.318) 6.852 5.390 ( 11.837 -8.889 3.854) 15.296 5.390 ( 11.837 8.889 3.854) 15.296 5.563 ( 1.224 -12.709 9.887) 16.148 5.563 ( 1.224 12.709 9.887) 16.148 5.744 ( 6.391 -14.481 8.790) 18.105 5.744 ( 6.391 14.481 8.790) 18.105 5.845 ( -4.784 -4.515 7.846) 10.239 5.845 ( -4.784 4.515 7.846) 10.239 6.430 ( -14.197 -9.785 -2.680) 17.449 6.430 ( -14.197 9.785 -2.680) 17.449 6.625 ( -5.553 -4.941 -2.299) 7.781 6.625 ( -5.553 4.941 -2.299) 7.781 6.709 ( 2.888 -5.429 4.631) 7.698 6.709 ( 2.888 5.429 4.631) 7.698 7.056 ( -9.639 -11.024 -4.561) 15.338 7.056 ( -9.639 11.024 -4.561) 15.338 7.331 ( -4.294 -6.789 4.036) 8.990 7.331 ( -4.294 6.789 4.036) 8.990 7.665 ( 1.226 -11.037 1.844) 11.257 7.665 ( 1.226 11.037 1.844) 11.257 7.758 ( -6.982 -3.878 2.362) 8.329 7.758 ( -6.982 3.878 2.362) 8.329 8.036 ( -1.652 -5.686 -0.145) 5.923 8.036 ( -1.652 5.686 -0.145) 5.923 8.303 ( 11.319 -3.291 -6.452) 13.438 8.303 ( 11.319 3.291 -6.452) 13.438 8.889 ( 3.504 -6.678 2.276) 7.877 8.889 ( 3.504 6.678 2.276) 7.877 9.166 ( -6.592 -8.541 -4.969) 11.878 9.166 ( -6.592 8.541 -4.969) 11.878 9.769 ( -1.579 -5.098 4.053) 6.702 9.769 ( -1.579 5.098 4.053) 6.702 10.113 ( -2.525 -11.674 0.575) 11.958 10.113 ( -2.525 11.674 0.575) 11.958 10.630 ( 6.160 -4.993 -5.629) 9.725 10.630 ( 6.160 4.993 -5.629) 9.725 11.098 ( 0.851 -15.192 0.630) 15.229 11.098 ( 0.851 15.192 0.630) 15.229 11.187 ( -0.925 -9.536 2.158) 9.821 11.187 ( -0.925 9.536 2.158) 9.821 11.955 ( -1.988 -1.636 10.737) 11.041 11.955 ( -1.988 1.636 10.737) 11.041 12.100 ( 5.894 -5.953 -7.515) 11.254 12.100 ( 5.894 5.953 -7.515) 11.254 12.612 ( 0.759 -4.561 1.294) 4.802 12.612 ( 0.759 4.561 1.294) 4.802 13.185 ( 0.660 -2.044 -5.319) 5.736 13.185 ( 0.660 2.044 -5.319) 5.736 13.844 ( 4.749 -2.890 -0.894) 5.631 13.844 ( 4.749 2.890 -0.894) 5.631 14.360 ( 3.841 -6.341 -3.932) 8.392 14.360 ( 3.841 6.341 -3.932) 8.392 14.488 ( -0.835 -2.626 -5.189) 5.875 14.488 ( -0.835 2.626 -5.189) 5.875 14.803 ( 4.940 -4.018 -2.205) 6.739 14.803 ( 4.940 4.018 -2.205) 6.739 14.904 ( -8.908 -2.989 1.443) 9.506 14.904 ( -8.908 2.989 1.443) 9.506 15.189 ( -6.656 -5.419 1.275) 8.677 15.189 ( -6.656 5.419 1.275) 8.677 15.392 ( 1.813 -6.812 -3.161) 7.725 15.392 ( 1.813 6.812 -3.161) 7.725 15.729 ( 4.704 -8.485 1.520) 9.820 15.729 ( 4.704 8.485 1.520) 9.820 16.047 ( -3.221 -3.274 2.322) 5.146 16.047 ( -3.221 3.274 2.322) 5.146 16.294 ( 10.216 -3.390 5.032) 11.882 16.294 ( 10.216 3.390 5.032) 11.882 16.548 ( -4.705 -2.492 -2.262) 5.785 16.548 ( -4.705 2.492 -2.262) 5.785 16.675 ( -7.596 -4.962 0.753) 9.104 16.675 ( -7.596 4.962 0.753) 9.104 17.325 ( -7.452 -10.365 0.313) 12.770 17.325 ( -7.452 10.365 0.313) 12.770 17.824 ( -9.201 -5.995 7.218) 13.142 17.824 ( -9.201 5.995 7.218) 13.142 19.063 ( 11.083 -4.909 -4.677) 12.992 19.063 ( 11.083 4.909 -4.677) 12.992 20.725 ( 4.394 -6.619 4.051) 8.917 20.725 ( 4.394 6.619 4.051) 8.917 21.593 ( 3.292 -0.916 2.297) 4.117 21.593 ( 3.292 0.916 2.297) 4.117 21.895 ( -4.935 -4.618 -0.417) 6.772 21.895 ( -4.935 4.618 -0.417) 6.772 21.955 ( 2.081 -2.892 -6.715) 7.602 21.955 ( 2.081 2.892 -6.715) 7.602 22.606 ( 7.569 -3.892 2.679) 8.922 22.606 ( 7.569 3.892 2.679) 8.922 22.792 ( -3.170 -10.450 -2.021) 11.106 22.792 ( -3.170 10.450 -2.021) 11.106 23.003 ( -0.430 -1.262 0.221) 1.352 23.003 ( -0.430 1.262 0.221) 1.352 23.341 ( 3.749 -7.934 -2.395) 9.096 23.341 ( 3.749 7.934 -2.395) 9.096 23.682 ( -0.287 -4.937 4.398) 6.619 23.682 ( -0.287 4.937 4.398) 6.619 24.256 ( 1.642 -11.033 3.985) 11.845 24.256 ( 1.642 11.033 3.985) 11.845 24.458 ( 3.189 -2.195 -1.412) 4.121 24.458 ( 3.189 2.195 -1.412) 4.121 25.226 ( -11.356 -4.631 -0.824) 12.291 25.226 ( -11.356 4.631 -0.824) 12.291 29.226 ( -1.252 -8.111 -0.423) 8.218 29.226 ( -1.252 8.111 -0.423) 8.218 29.467 ( -3.630 -4.985 -0.532) 6.189 29.467 ( -3.630 4.985 -0.532) 6.189 29.776 ( -0.584 -1.457 1.157) 1.950 29.776 ( -0.584 1.457 1.157) 1.950 29.851 ( -0.218 -1.954 -2.249) 2.987 29.851 ( -0.218 1.954 -2.249) 2.987 30.008 ( -2.998 -3.014 4.455) 6.158 30.008 ( -2.998 3.014 4.455) 6.158 30.191 ( 3.341 -0.863 -2.939) 4.533 30.191 ( 3.341 0.863 -2.939) 4.533 30.530 ( -1.210 -3.409 4.878) 6.073 30.530 ( -1.210 3.409 4.878) 6.073 30.729 ( 3.420 -5.160 -0.239) 6.195 30.729 ( 3.420 5.160 -0.239) 6.195 30.904 ( 0.080 -5.265 4.493) 6.922 30.904 ( 0.080 5.265 4.493) 6.922 31.545 ( 0.910 -4.252 -2.583) 5.058 31.545 ( 0.910 4.252 -2.583) 5.058 31.978 ( -4.329 -9.295 -3.025) 10.691 31.978 ( -4.329 9.295 -3.025) 10.691 32.348 ( -1.502 -7.788 -12.445) 14.757 32.348 ( -1.502 7.788 -12.445) 14.757 32.470 ( 8.839 -5.918 6.004) 12.215 32.470 ( 8.839 5.918 6.004) 12.215 33.268 ( -16.605 -5.950 4.487) 18.200 33.268 ( -16.605 5.950 4.487) 18.200 34.207 ( 5.210 -7.823 4.244) 10.313 34.207 ( 5.210 7.823 4.244) 10.313 35.210 ( 8.774 -8.298 -8.029) 14.502 35.210 ( 8.774 8.298 -8.029) 14.502 ======================= Grid point 73 (38/80) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( -3.276 -3.367 -10.157) 11.191 2.847 ( -3.276 3.367 -10.157) 11.191 3.185 ( -12.249 -15.563 -0.286) 19.807 3.185 ( -12.249 15.563 -0.286) 19.807 3.406 ( 7.492 -11.091 4.225) 14.036 3.406 ( 7.492 11.091 4.225) 14.036 3.669 ( -3.685 -8.525 -11.613) 14.870 3.669 ( -3.685 8.525 -11.613) 14.870 3.875 ( 7.921 -1.792 8.056) 11.439 3.875 ( 7.921 1.792 8.055) 11.439 4.079 ( 1.920 -5.353 -0.727) 5.733 4.079 ( 1.920 5.353 -0.727) 5.733 4.354 ( 5.280 -8.830 -5.103) 11.484 4.354 ( 5.280 8.830 -5.103) 11.484 4.566 ( -6.939 -7.646 -2.705) 10.674 4.566 ( -6.939 7.646 -2.705) 10.674 4.793 ( -1.232 -9.101 -0.172) 9.185 4.793 ( -1.232 9.101 -0.172) 9.185 4.981 ( 3.099 -8.229 -13.038) 15.726 4.981 ( 3.099 8.229 -13.038) 15.726 5.178 ( -4.155 -6.821 2.107) 8.260 5.178 ( -4.155 6.821 2.107) 8.260 5.457 ( -0.579 -16.787 11.566) 20.394 5.457 ( -0.579 16.787 11.566) 20.394 5.616 ( -2.668 -6.354 7.156) 9.935 5.616 ( -2.668 6.354 7.156) 9.935 5.847 ( 9.327 -8.270 0.430) 12.473 5.847 ( 9.327 8.270 0.430) 12.473 6.000 ( -10.735 -7.067 5.925) 14.152 6.000 ( -10.735 7.067 5.925) 14.152 6.226 ( 9.747 -21.667 -1.575) 23.810 6.226 ( 9.747 21.667 -1.575) 23.810 6.551 ( 2.226 -4.922 -0.526) 5.427 6.551 ( 2.226 4.922 -0.526) 5.427 6.744 ( -1.711 -3.773 2.269) 4.724 6.744 ( -1.711 3.773 2.269) 4.724 6.878 ( -0.853 -6.163 1.413) 6.380 6.878 ( -0.853 6.163 1.413) 6.380 7.294 ( 0.867 -5.798 3.635) 6.898 7.294 ( 0.867 5.798 3.635) 6.898 7.628 ( -2.019 -3.492 2.580) 4.788 7.628 ( -2.019 3.492 2.580) 4.788 7.709 ( -0.387 -3.561 1.794) 4.006 7.709 ( -0.387 3.561 1.794) 4.006 7.942 ( -2.400 -5.964 -0.294) 6.436 7.942 ( -2.400 5.964 -0.294) 6.436 8.644 ( 8.296 -7.105 -3.816) 11.570 8.644 ( 8.296 7.105 -3.816) 11.570 8.845 ( 0.807 -11.978 -3.001) 12.375 8.845 ( 0.807 11.978 -3.001) 12.375 9.078 ( -1.709 -4.452 -4.921) 6.852 9.078 ( -1.709 4.452 -4.921) 6.852 9.717 ( -3.802 -2.770 5.890) 7.538 9.717 ( -3.802 2.770 5.890) 7.538 10.047 ( -3.866 -12.006 -0.746) 12.635 10.047 ( -3.866 12.006 -0.746) 12.635 10.703 ( 1.026 -7.774 -6.173) 9.980 10.703 ( 1.026 7.774 -6.173) 9.980 11.125 ( 0.726 -6.828 3.052) 7.514 11.125 ( 0.726 6.828 3.052) 7.514 11.184 ( 0.706 -21.275 1.254) 21.324 11.184 ( 0.706 21.275 1.254) 21.324 11.855 ( -5.412 -2.137 5.985) 8.347 11.855 ( -5.412 2.137 5.985) 8.347 12.252 ( 6.782 -1.533 -3.465) 7.769 12.252 ( 6.782 1.533 -3.465) 7.769 12.642 ( 0.720 -3.089 1.791) 3.642 12.642 ( 0.720 3.089 1.791) 3.642 13.181 ( -0.880 -0.460 -4.520) 4.628 13.181 ( -0.880 0.460 -4.520) 4.628 13.909 ( 0.431 -1.605 -0.175) 1.671 13.909 ( 0.431 1.605 -0.175) 1.671 14.329 ( -1.706 -2.308 -3.858) 4.808 14.329 ( -1.706 2.308 -3.858) 4.808 14.531 ( -0.181 -3.599 -6.215) 7.184 14.531 ( -0.181 3.599 -6.215) 7.184 14.780 ( -0.663 -2.733 2.426) 3.715 14.780 ( -0.663 2.733 2.426) 3.715 14.940 ( 5.568 -5.720 -2.089) 8.251 14.940 ( 5.568 5.720 -2.089) 8.251 15.063 ( -3.387 -2.612 0.608) 4.321 15.063 ( -3.387 2.612 0.608) 4.321 15.395 ( -1.739 -8.746 -4.742) 10.099 15.395 ( -1.739 8.746 -4.742) 10.099 15.776 ( 0.040 -8.572 -0.275) 8.577 15.776 ( 0.040 8.572 -0.275) 8.577 16.050 ( 2.586 -3.279 6.802) 7.982 16.050 ( 2.586 3.279 6.802) 7.982 16.347 ( -4.150 -4.468 1.587) 6.301 16.347 ( -4.150 4.468 1.587) 6.301 16.499 ( -0.237 -4.658 2.998) 5.545 16.499 ( -0.237 4.658 2.998) 5.545 16.658 ( 4.773 -3.433 1.220) 6.005 16.658 ( 4.773 3.433 1.220) 6.005 17.224 ( 1.122 -9.171 -5.512) 10.759 17.224 ( 1.122 9.171 -5.512) 10.759 17.698 ( -3.447 -1.920 9.922) 10.677 17.698 ( -3.447 1.920 9.922) 10.677 19.206 ( 2.000 -5.861 -4.097) 7.425 19.206 ( 2.000 5.861 -4.097) 7.425 20.795 ( 1.421 -5.915 6.567) 8.951 20.795 ( 1.421 5.915 6.567) 8.951 21.573 ( -4.225 -2.722 -0.974) 5.120 21.573 ( -4.225 2.722 -0.974) 5.120 21.770 ( -4.795 -1.167 -5.212) 7.177 21.770 ( -4.795 1.167 -5.212) 7.177 22.073 ( 6.499 -1.108 -3.399) 7.417 22.073 ( 6.499 1.108 -3.399) 7.417 22.623 ( -5.954 -4.373 -1.370) 7.513 22.623 ( -5.954 4.373 -1.370) 7.513 22.786 ( 2.862 -3.435 1.738) 4.797 22.786 ( 2.862 3.435 1.738) 4.797 22.999 ( 0.378 -2.881 0.507) 2.949 22.999 ( 0.378 2.881 0.507) 2.949 23.423 ( 3.669 -6.559 1.009) 7.583 23.423 ( 3.669 6.559 1.009) 7.583 23.631 ( -4.513 -4.846 1.913) 6.892 23.631 ( -4.513 4.846 1.913) 6.892 24.246 ( -1.033 -8.004 -0.251) 8.074 24.246 ( -1.033 8.004 -0.251) 8.074 24.583 ( 3.230 -6.005 2.756) 7.355 24.583 ( 3.230 6.005 2.756) 7.355 25.058 ( -0.873 -8.884 -1.136) 8.999 25.058 ( -0.873 8.884 -1.136) 8.999 29.218 ( 0.728 -8.525 -0.573) 8.575 29.218 ( 0.728 8.525 -0.573) 8.575 29.426 ( -0.261 -5.420 -0.065) 5.426 29.426 ( -0.261 5.420 -0.065) 5.426 29.744 ( -1.532 -0.442 0.287) 1.620 29.744 ( -1.532 0.442 0.287) 1.620 29.847 ( -0.398 -1.325 -1.089) 1.760 29.847 ( -0.398 1.325 -1.089) 1.760 29.981 ( 0.557 -1.983 3.811) 4.332 29.981 ( 0.557 1.983 3.811) 4.332 30.276 ( 4.083 -2.500 -3.432) 5.890 30.276 ( 4.083 2.500 -3.432) 5.890 30.491 ( -2.834 -4.687 5.407) 7.696 30.491 ( -2.834 4.687 5.407) 7.696 30.784 ( 1.440 -7.493 -0.134) 7.632 30.784 ( 1.440 7.493 -0.134) 7.632 30.926 ( 1.543 -3.695 7.549) 8.545 30.926 ( 1.543 3.695 7.549) 8.545 31.565 ( 1.556 -5.029 -0.607) 5.299 31.565 ( 1.556 5.029 -0.607) 5.299 31.917 ( -0.517 -11.021 -3.252) 11.503 31.917 ( -0.517 11.021 -3.252) 11.503 32.253 ( -6.130 -8.990 -13.886) 17.641 32.253 ( -6.130 8.990 -13.886) 17.641 32.712 ( 9.719 -4.951 0.650) 10.927 32.712 ( 9.719 4.951 0.650) 10.927 32.987 ( -7.007 -4.908 6.112) 10.514 32.987 ( -7.007 4.908 6.112) 10.514 34.290 ( 1.882 -8.282 6.661) 10.794 34.290 ( 1.882 8.282 6.661) 10.794 35.290 ( -1.107 -2.651 -9.399) 9.828 35.290 ( -1.107 2.651 -9.399) 9.828 ======================= Grid point 75 (39/80) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -11.951 -19.623 -7.931) 24.306 2.699 ( -11.951 19.623 -7.931) 24.306 3.007 ( -2.981 -10.304 1.554) 10.839 3.007 ( -2.981 10.304 1.554) 10.839 3.429 ( -10.767 -12.410 -3.911) 16.889 3.429 ( -10.767 12.410 -3.911) 16.889 3.606 ( 7.841 -4.561 -4.119) 9.963 3.606 ( 7.841 4.561 -4.119) 9.963 3.892 ( -4.196 -12.458 4.044) 13.754 3.892 ( -4.196 12.458 4.044) 13.754 4.147 ( 0.216 -4.787 10.096) 11.175 4.147 ( 0.216 4.787 10.096) 11.175 4.386 ( -4.646 -16.315 -11.562) 20.529 4.386 ( -4.646 16.315 -11.562) 20.529 4.544 ( 2.493 -5.063 -7.385) 9.294 4.544 ( 2.493 5.063 -7.385) 9.294 4.786 ( 1.782 -1.341 -1.635) 2.766 4.786 ( 1.782 1.341 -1.635) 2.766 4.978 ( -2.909 -6.312 -12.450) 14.259 4.978 ( -2.909 6.312 -12.450) 14.259 5.133 ( 0.357 -8.940 2.948) 9.421 5.133 ( 0.357 8.940 2.948) 9.421 5.376 ( -6.229 -14.925 3.558) 16.559 5.376 ( -6.229 14.925 3.558) 16.559 5.554 ( -6.316 -11.259 5.281) 13.948 5.554 ( -6.316 11.259 5.281) 13.948 5.751 ( 3.800 -6.799 10.711) 13.243 5.751 ( 3.800 6.799 10.711) 13.243 5.990 ( -5.525 -8.709 14.011) 17.398 5.990 ( -5.525 8.709 14.011) 17.398 6.281 ( 4.561 -2.256 -4.620) 6.872 6.281 ( 4.561 2.256 -4.620) 6.872 6.684 ( -0.351 -5.524 -1.096) 5.643 6.684 ( -0.351 5.524 -1.096) 5.643 6.804 ( 7.947 -8.811 1.943) 12.023 6.804 ( 7.947 8.811 1.943) 12.023 7.039 ( 12.097 -15.976 -0.299) 20.041 7.039 ( 12.097 15.976 -0.299) 20.041 7.355 ( 2.904 -4.615 -0.261) 5.458 7.355 ( 2.904 4.615 -0.261) 5.458 7.609 ( 0.171 -2.172 4.146) 4.683 7.609 ( 0.171 2.172 4.146) 4.683 7.745 ( 5.811 -9.443 1.963) 11.261 7.745 ( 5.811 9.443 1.963) 11.261 7.971 ( 4.863 -7.822 -4.525) 10.262 7.971 ( 4.863 7.822 -4.525) 10.262 8.516 ( -8.139 -12.206 4.703) 15.406 8.516 ( -8.139 12.206 4.703) 15.406 8.995 ( -5.016 -3.743 1.502) 6.436 8.995 ( -5.016 3.743 1.502) 6.436 9.111 ( 9.598 -5.318 -8.528) 13.897 9.111 ( 9.598 5.318 -8.528) 13.897 9.612 ( -4.481 -2.156 2.527) 5.577 9.612 ( -4.481 2.156 2.527) 5.577 9.988 ( -0.139 -12.343 -3.779) 12.909 9.988 ( -0.139 12.343 -3.779) 12.909 10.691 ( -1.971 -6.173 -5.102) 8.248 10.691 ( -1.971 6.173 -5.102) 8.248 11.064 ( -5.858 -9.463 2.630) 11.436 11.064 ( -5.858 9.463 2.630) 11.436 11.240 ( 3.811 -14.362 1.311) 14.917 11.240 ( 3.811 14.362 1.311) 14.917 11.765 ( -2.812 -4.817 2.053) 5.944 11.765 ( -2.812 4.817 2.053) 5.944 12.354 ( 1.417 -4.434 2.885) 5.476 12.354 ( 1.417 4.434 2.885) 5.476 12.626 ( -0.908 -3.360 1.966) 3.997 12.626 ( -0.908 3.360 1.966) 3.997 13.152 ( -1.545 -2.648 -4.279) 5.264 13.152 ( -1.545 2.648 -4.279) 5.264 13.864 ( -3.817 -1.994 -2.939) 5.214 13.864 ( -3.817 1.994 -2.939) 5.214 14.317 ( -1.512 -3.678 -4.314) 5.867 14.317 ( -1.512 3.678 -4.314) 5.867 14.493 ( -0.798 -5.426 -5.163) 7.532 14.493 ( -0.798 5.426 -5.163) 7.532 14.792 ( -0.201 -3.132 0.874) 3.258 14.792 ( -0.201 3.132 0.874) 3.258 15.006 ( 1.707 -5.510 -1.300) 5.913 15.006 ( 1.707 5.510 -1.300) 5.913 15.085 ( 4.314 -2.707 0.868) 5.167 15.085 ( 4.314 2.707 0.868) 5.167 15.371 ( 0.952 -8.598 -2.571) 9.025 15.371 ( 0.952 8.598 -2.571) 9.025 15.742 ( -3.853 -4.371 0.673) 5.865 15.742 ( -3.853 4.371 0.673) 5.865 16.094 ( -0.189 -2.002 4.446) 4.879 16.094 ( -0.189 2.002 4.446) 4.879 16.245 ( -3.530 -9.821 -0.626) 10.455 16.245 ( -3.530 9.821 -0.626) 10.455 16.514 ( 1.514 -0.617 2.914) 3.341 16.514 ( 1.514 0.617 2.914) 3.341 16.807 ( 9.888 -4.551 3.067) 11.309 16.807 ( 9.888 4.551 3.067) 11.309 17.376 ( 9.155 -10.522 -2.316) 14.139 17.376 ( 9.155 10.522 -2.316) 14.139 17.683 ( 3.685 -3.025 5.701) 7.432 17.683 ( 3.685 3.025 5.701) 7.432 19.137 ( -8.365 -8.359 -2.162) 12.022 19.137 ( -8.365 8.359 -2.162) 12.022 20.780 ( -2.595 -4.488 7.475) 9.097 20.780 ( -2.595 4.488 7.475) 9.097 21.428 ( -8.053 -2.759 -6.738) 10.856 21.428 ( -8.053 2.759 -6.738) 10.856 21.748 ( 2.252 -6.896 -2.643) 7.721 21.748 ( 2.252 6.896 -2.643) 7.721 22.156 ( 0.504 -4.336 -0.098) 4.366 22.156 ( 0.504 4.336 -0.098) 4.366 22.485 ( -5.836 -4.794 -3.240) 8.218 22.485 ( -5.836 4.794 -3.240) 8.218 22.817 ( 0.256 -6.174 -0.214) 6.183 22.817 ( 0.256 6.174 -0.214) 6.183 23.021 ( 0.990 -6.704 1.356) 6.912 23.021 ( 0.990 6.704 1.356) 6.912 23.418 ( -6.619 -10.693 -1.285) 12.641 23.418 ( -6.619 10.693 -1.285) 12.641 23.561 ( 0.911 -0.428 3.663) 3.799 23.561 ( 0.911 0.428 3.663) 3.799 24.254 ( 1.904 -6.552 1.611) 7.011 24.254 ( 1.904 6.552 1.611) 7.011 24.534 ( -4.574 -3.987 1.783) 6.325 24.534 ( -4.574 3.987 1.783) 6.325 25.212 ( 11.631 -10.096 -1.064) 15.438 25.212 ( 11.631 10.096 -1.064) 15.438 29.251 ( 1.984 -8.572 0.341) 8.806 29.251 ( 1.984 8.572 0.341) 8.806 29.452 ( 2.563 -5.604 -0.984) 6.240 29.452 ( 2.563 5.604 -0.984) 6.240 29.724 ( -0.424 -0.970 -0.937) 1.414 29.724 ( -0.424 0.970 -0.937) 1.414 29.843 ( 0.491 -0.784 -0.142) 0.936 29.843 ( 0.491 0.784 -0.142) 0.936 30.021 ( 2.431 -1.708 2.953) 4.189 30.021 ( 2.431 1.708 2.953) 4.189 30.328 ( -1.011 -1.733 0.134) 2.011 30.328 ( -1.011 1.733 0.134) 2.011 30.443 ( 0.592 -6.272 1.992) 6.608 30.443 ( 0.592 6.272 1.992) 6.608 30.785 ( -1.387 -6.776 0.801) 6.963 30.785 ( -1.387 6.776 0.801) 6.963 30.958 ( 1.257 -1.127 8.419) 8.587 30.958 ( 1.257 1.127 8.419) 8.587 31.626 ( 4.135 -5.754 1.115) 7.173 31.626 ( 4.135 5.754 1.115) 7.173 31.961 ( 3.051 -8.395 -4.463) 9.986 31.961 ( 3.051 8.395 -4.463) 9.986 32.074 ( -9.225 -9.315 -11.633) 17.527 32.074 ( -9.225 9.315 -11.633) 17.527 32.697 ( -5.420 -6.183 1.392) 8.339 32.697 ( -5.420 6.183 1.392) 8.339 33.162 ( 17.492 -4.596 3.137) 18.356 33.162 ( 17.492 4.596 3.137) 18.356 34.285 ( -2.098 -7.434 7.077) 10.476 34.285 ( -2.098 7.434 7.077) 10.476 35.162 ( -10.669 -3.597 -10.260) 15.233 35.162 ( -10.669 3.597 -10.260) 15.233 ======================= Grid point 77 (40/80) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -8.786 -18.698 3.463) 20.948 2.449 ( -8.786 18.698 3.463) 20.948 2.871 ( -11.060 -20.651 -2.713) 23.583 2.871 ( -11.060 20.651 -2.713) 23.583 3.326 ( 3.216 -4.232 4.265) 6.815 3.326 ( 3.216 4.232 4.265) 6.815 3.710 ( -3.214 -10.610 -0.501) 11.098 3.710 ( -3.214 10.610 -0.501) 11.098 3.829 ( 3.493 -1.491 -5.692) 6.843 3.829 ( 3.493 1.491 -5.692) 6.843 4.144 ( 2.056 -13.431 2.157) 13.758 4.144 ( 2.056 13.431 2.157) 13.758 4.271 ( -7.435 -11.750 -10.046) 17.155 4.271 ( -7.435 11.750 -10.046) 17.155 4.491 ( -3.643 -5.626 1.125) 6.796 4.491 ( -3.643 5.626 1.125) 6.796 4.767 ( -6.369 -6.925 -8.177) 12.465 4.767 ( -6.369 6.925 -8.177) 12.465 4.913 ( 0.060 -8.692 -5.158) 10.107 4.913 ( 0.060 8.692 -5.158) 10.107 5.103 ( -5.962 -26.233 3.128) 27.083 5.103 ( -5.962 26.233 3.128) 27.083 5.309 ( 0.197 -6.719 5.445) 8.651 5.309 ( 0.197 6.719 5.445) 8.651 5.482 ( -0.171 -4.493 -5.548) 7.141 5.482 ( -0.171 4.493 -5.548) 7.141 5.872 ( 4.758 -4.105 11.168) 12.815 5.872 ( 4.758 4.105 11.168) 12.815 6.026 ( 8.763 -10.579 15.465) 20.685 6.026 ( 8.763 10.579 15.465) 20.685 6.382 ( 4.760 -3.243 -5.218) 7.772 6.382 ( 4.760 3.243 -5.218) 7.772 6.618 ( -3.024 -6.589 -2.327) 7.614 6.618 ( -3.024 6.589 -2.327) 7.614 6.992 ( 9.336 -2.365 4.212) 10.511 6.992 ( 9.336 2.365 4.212) 10.511 7.191 ( 0.165 -9.244 -1.849) 9.429 7.191 ( 0.165 9.244 -1.849) 9.429 7.355 ( 0.565 -8.826 -2.048) 9.078 7.355 ( 0.565 8.826 -2.048) 9.078 7.619 ( 0.139 -4.029 4.091) 5.744 7.619 ( 0.139 4.029 4.091) 5.744 7.900 ( 3.396 -3.090 -0.014) 4.591 7.900 ( 3.396 3.090 -0.014) 4.591 8.051 ( -3.187 -6.149 1.691) 7.129 8.051 ( -3.187 6.149 1.691) 7.129 8.472 ( 6.063 -8.440 3.742) 11.045 8.472 ( 6.063 8.440 3.742) 11.045 8.837 ( -5.649 -6.636 5.233) 10.165 8.837 ( -5.649 6.636 5.233) 10.165 9.206 ( 0.885 -6.982 -7.553) 10.324 9.206 ( 0.885 6.982 -7.553) 10.324 9.583 ( 1.028 -0.710 -3.319) 3.546 9.583 ( 1.028 0.710 -3.319) 3.546 10.043 ( 4.019 -11.298 -6.376) 13.581 10.043 ( 4.019 11.298 -6.376) 13.581 10.603 ( -5.883 -2.892 0.183) 6.558 10.603 ( -5.883 2.892 0.183) 6.558 10.976 ( -0.598 -15.880 -2.843) 16.143 10.976 ( -0.598 15.880 -2.843) 16.143 11.300 ( 1.056 -11.871 1.543) 12.017 11.300 ( 1.056 11.871 1.543) 12.017 11.726 ( -0.856 -9.648 0.605) 9.705 11.726 ( -0.856 9.648 0.605) 9.705 12.295 ( -5.429 -6.987 8.455) 12.238 12.295 ( -5.429 6.987 8.455) 12.238 12.648 ( 2.074 -2.932 1.245) 3.801 12.648 ( 2.074 2.932 1.245) 3.801 13.125 ( -0.609 -3.997 -4.547) 6.085 13.125 ( -0.609 3.997 -4.547) 6.085 13.772 ( -4.145 -3.049 -4.998) 7.173 13.772 ( -4.145 3.049 -4.998) 7.173 14.239 ( -4.749 -1.446 -5.887) 7.701 14.239 ( -4.749 1.446 -5.887) 7.701 14.503 ( 1.368 -4.473 -5.540) 7.250 14.503 ( 1.368 4.473 -5.540) 7.250 14.754 ( -2.588 -4.772 3.159) 6.281 14.754 ( -2.588 4.772 3.159) 6.281 15.068 ( 3.958 -2.349 -2.171) 5.089 15.068 ( 3.958 2.349 -2.171) 5.089 15.225 ( 8.219 -1.075 0.586) 8.309 15.225 ( 8.219 1.075 0.586) 8.309 15.413 ( 1.370 -8.298 -0.143) 8.411 15.413 ( 1.370 8.298 -0.143) 8.411 15.629 ( -4.922 -5.601 1.296) 7.568 15.629 ( -4.922 5.601 1.296) 7.568 15.966 ( -8.955 -8.128 2.114) 12.277 15.966 ( -8.955 8.128 2.114) 12.277 16.275 ( 2.948 -1.163 2.196) 3.856 16.275 ( 2.948 1.163 2.196) 3.856 16.568 ( 3.367 -1.999 -0.798) 3.997 16.568 ( 3.367 1.999 -0.798) 3.997 17.030 ( 8.278 -3.446 1.908) 9.167 17.030 ( 8.278 3.446 1.908) 9.167 17.478 ( 1.999 -8.094 4.675) 9.558 17.478 ( 1.999 8.094 4.675) 9.558 17.923 ( 16.481 -9.392 -1.593) 19.036 17.923 ( 16.481 9.392 -1.593) 19.036 18.867 ( -15.941 -10.535 -0.383) 19.111 18.867 ( -15.941 10.535 -0.383) 19.111 20.706 ( -4.062 -3.281 5.981) 7.940 20.706 ( -4.062 3.281 5.981) 7.940 21.294 ( -3.223 -5.459 -6.403) 9.010 21.294 ( -3.223 5.459 -6.403) 9.010 21.820 ( 3.940 -8.326 -0.730) 9.240 21.820 ( 3.940 8.326 -0.730) 9.240 22.107 ( -3.973 -7.701 1.962) 8.885 22.107 ( -3.973 7.701 1.962) 8.885 22.384 ( -3.624 -3.626 -2.710) 5.799 22.384 ( -3.624 3.626 -2.710) 5.799 22.806 ( -1.181 -6.472 -1.528) 6.754 22.806 ( -1.181 6.472 -1.528) 6.754 23.029 ( 0.025 -7.391 0.084) 7.391 23.029 ( 0.025 7.391 0.084) 7.391 23.254 ( -6.122 -11.822 -2.315) 13.513 23.254 ( -6.122 11.822 -2.315) 13.513 23.610 ( 2.357 -3.556 3.952) 5.815 23.610 ( 2.357 3.556 3.952) 5.815 24.299 ( 0.932 -8.722 5.089) 10.141 24.299 ( 0.932 8.722 5.089) 10.141 24.474 ( -0.422 -6.740 -0.391) 6.765 24.474 ( -0.422 6.740 -0.391) 6.765 25.447 ( 8.955 -7.426 -1.755) 11.765 25.447 ( 8.955 7.426 -1.755) 11.765 29.287 ( 1.079 -8.044 1.038) 8.183 29.287 ( 1.079 8.044 1.038) 8.183 29.522 ( 3.681 -6.754 -2.522) 8.095 29.522 ( 3.681 6.754 -2.522) 8.095 29.721 ( 0.123 -2.147 -0.649) 2.247 29.721 ( 0.123 2.147 -0.649) 2.247 29.871 ( 1.741 -1.090 -0.306) 2.077 29.871 ( 1.741 1.090 -0.306) 2.077 30.060 ( 0.858 -2.122 2.925) 3.714 30.060 ( 0.858 2.122 2.925) 3.714 30.254 ( -3.956 -2.033 2.893) 5.306 30.254 ( -3.956 2.033 2.893) 5.306 30.517 ( 4.261 -4.536 -1.328) 6.364 30.517 ( 4.261 4.536 -1.328) 6.364 30.743 ( -1.899 -3.820 0.901) 4.360 30.743 ( -1.899 3.820 0.901) 4.360 30.979 ( 0.468 -3.626 6.672) 7.608 30.979 ( 0.468 3.626 6.672) 7.608 31.691 ( -4.712 -3.650 -2.706) 6.546 31.691 ( -4.712 3.650 -2.706) 6.546 31.825 ( -1.796 -2.941 -5.504) 6.494 31.825 ( -1.796 2.941 -5.504) 6.494 32.106 ( 4.994 -12.259 -0.506) 13.247 32.106 ( 4.994 12.259 -0.506) 13.247 32.610 ( -2.685 -8.136 1.032) 8.630 32.610 ( -2.685 8.136 1.032) 8.630 33.570 ( 18.251 -2.486 1.800) 18.507 33.570 ( 18.251 2.486 1.800) 18.507 34.243 ( 0.087 -4.320 4.662) 6.357 34.243 ( 0.087 4.320 4.662) 6.357 34.839 ( -18.612 -5.563 -9.289) 21.532 34.839 ( -18.612 5.563 -9.289) 21.532 ======================= Grid point 91 (41/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -5.416 0.000 35.986) 36.391 1.817 ( -7.289 0.000 42.396) 43.018 2.315 ( 5.589 0.000 49.993) 50.305 2.849 ( 7.811 0.000 -31.092) 32.058 3.033 ( -1.054 0.000 20.005) 20.033 3.308 ( 0.411 0.000 -14.544) 14.550 3.571 ( 2.477 0.000 -2.259) 3.352 3.820 ( -1.787 0.000 2.588) 3.145 3.842 ( 0.192 0.000 -14.488) 14.490 3.979 ( -0.923 0.000 2.370) 2.543 3.995 ( 5.904 0.000 -10.168) 11.758 4.030 ( -5.005 0.000 29.270) 29.695 4.210 ( 1.699 0.000 -15.894) 15.984 4.272 ( -0.925 0.000 0.580) 1.092 4.452 ( 1.766 0.000 1.338) 2.216 4.595 ( -4.225 0.000 -7.556) 8.657 4.670 ( 4.374 0.000 -8.241) 9.330 4.670 ( -6.423 0.000 -4.224) 7.687 4.791 ( -5.619 0.000 0.292) 5.626 4.999 ( 0.225 0.000 -8.351) 8.354 5.061 ( 0.926 0.000 -5.176) 5.258 5.091 ( 4.170 0.000 -16.310) 16.835 5.320 ( 4.125 0.000 4.947) 6.441 5.390 ( 4.073 0.000 -1.034) 4.202 5.643 ( 0.202 0.000 -6.793) 6.796 5.779 ( 2.234 0.000 4.151) 4.714 5.824 ( -0.564 0.000 2.580) 2.641 6.061 ( -6.135 0.000 0.940) 6.207 6.134 ( 5.118 0.000 1.888) 5.456 6.152 ( -7.933 0.000 9.449) 12.338 6.236 ( -0.914 0.000 -25.218) 25.234 6.311 ( -1.700 0.000 10.664) 10.799 6.459 ( -2.898 0.000 3.056) 4.211 6.640 ( 4.338 0.000 9.770) 10.690 6.939 ( 0.846 0.000 -2.647) 2.779 6.983 ( 0.476 0.000 -15.540) 15.548 7.071 ( 5.473 0.000 12.217) 13.387 7.287 ( 1.691 0.000 0.406) 1.739 7.465 ( -8.121 0.000 -7.295) 10.917 7.475 ( -1.809 0.000 -8.003) 8.205 7.732 ( 3.737 0.000 4.651) 5.966 7.740 ( -10.780 0.000 3.687) 11.393 7.944 ( 12.759 0.000 7.965) 15.041 7.949 ( -0.169 0.000 1.493) 1.503 8.075 ( 1.107 0.000 -0.846) 1.393 8.287 ( 4.725 0.000 -7.080) 8.512 8.464 ( 2.622 0.000 -0.920) 2.779 8.510 ( -6.593 0.000 0.742) 6.635 8.659 ( -15.269 0.000 4.155) 15.825 8.934 ( -5.513 0.000 0.837) 5.576 9.201 ( -1.753 0.000 12.082) 12.209 9.323 ( 11.323 0.000 -3.178) 11.760 9.522 ( -0.494 0.000 -11.452) 11.463 9.555 ( 0.091 0.000 -2.339) 2.341 9.683 ( 6.449 0.000 -0.155) 6.451 9.795 ( 5.274 0.000 -5.033) 7.290 10.255 ( -1.085 0.000 7.754) 7.829 10.417 ( -0.441 0.000 2.958) 2.991 11.088 ( -1.219 0.000 7.132) 7.236 11.215 ( 0.192 0.000 -1.452) 1.465 11.337 ( -7.572 0.000 -5.029) 9.090 11.467 ( 7.484 0.000 -5.068) 9.039 11.698 ( -3.139 0.000 17.696) 17.972 11.981 ( 0.600 0.000 13.249) 13.263 12.185 ( -1.278 0.000 -9.172) 9.260 12.559 ( 0.314 0.000 17.002) 17.005 12.683 ( 1.221 0.000 -2.223) 2.536 12.837 ( -2.147 0.000 0.195) 2.156 12.985 ( 0.888 0.000 -20.318) 20.337 13.298 ( -5.321 0.000 -15.048) 15.961 13.509 ( 5.065 0.000 8.271) 9.699 13.850 ( -1.912 0.000 -9.486) 9.677 14.067 ( 3.829 0.000 0.793) 3.910 14.119 ( 2.055 0.000 0.347) 2.084 14.354 ( -0.918 0.000 3.545) 3.662 14.540 ( -0.840 0.000 -4.402) 4.481 14.586 ( -0.439 0.000 4.864) 4.884 14.643 ( -8.469 0.000 7.437) 11.271 14.882 ( -0.691 0.000 -5.383) 5.428 14.947 ( -2.361 0.000 -5.271) 5.775 14.965 ( -2.343 0.000 4.225) 4.831 15.216 ( 11.989 0.000 -5.670) 13.263 15.418 ( 1.739 0.000 -1.216) 2.122 15.443 ( -3.753 0.000 -1.339) 3.984 15.703 ( 9.607 0.000 6.900) 11.828 15.918 ( -0.212 0.000 1.526) 1.540 16.027 ( 2.147 0.000 -0.957) 2.351 16.128 ( -3.605 0.000 -8.573) 9.300 16.474 ( -4.688 0.000 -0.912) 4.776 16.496 ( 0.721 0.000 -1.527) 1.688 16.713 ( 5.005 0.000 0.063) 5.005 16.808 ( -2.912 0.000 -4.717) 5.543 16.969 ( -2.479 0.000 5.222) 5.780 17.115 ( -1.045 0.000 -1.062) 1.490 17.679 ( -10.684 0.000 19.182) 21.957 17.696 ( -2.312 0.000 6.595) 6.989 17.933 ( 4.904 0.000 -3.629) 6.101 18.273 ( 10.076 0.000 -7.409) 12.507 18.413 ( 9.666 0.000 6.737) 11.783 18.888 ( -12.670 0.000 -16.390) 20.716 20.609 ( -8.290 0.000 -4.278) 9.329 20.665 ( 4.221 0.000 -6.293) 7.577 21.268 ( 1.906 0.000 5.263) 5.597 21.449 ( 0.205 0.000 2.498) 2.506 21.657 ( -3.281 0.000 6.767) 7.520 21.795 ( 8.102 0.000 0.038) 8.102 21.836 ( 5.981 0.000 12.967) 14.280 22.019 ( -1.252 0.000 -1.361) 1.850 22.343 ( -1.977 0.000 -0.729) 2.107 22.465 ( 5.061 0.000 -0.287) 5.069 22.503 ( -5.392 0.000 -8.508) 10.073 22.581 ( -2.227 0.000 -5.026) 5.498 22.876 ( -4.320 0.000 10.373) 11.237 23.173 ( -1.411 0.000 -2.342) 2.734 23.405 ( -2.199 0.000 -0.774) 2.331 23.443 ( 4.042 0.000 -2.942) 5.000 23.562 ( 1.108 0.000 -0.023) 1.108 23.593 ( 1.524 0.000 -0.786) 1.715 24.040 ( 9.767 0.000 10.919) 14.650 24.409 ( 3.825 0.000 4.426) 5.850 24.447 ( -1.010 0.000 -6.797) 6.872 24.529 ( -4.898 0.000 -3.928) 6.278 25.455 ( 6.067 0.000 7.691) 9.796 25.744 ( -6.879 0.000 -6.244) 9.290 28.999 ( 0.290 0.000 1.202) 1.236 29.104 ( -0.026 0.000 -4.456) 4.456 29.495 ( -1.006 0.000 5.373) 5.466 29.675 ( -3.257 0.000 -4.031) 5.182 29.790 ( 2.350 0.000 0.892) 2.513 29.837 ( 0.818 0.000 1.338) 1.568 29.866 ( 3.556 0.000 -2.267) 4.217 29.925 ( -1.456 0.000 -1.150) 1.855 30.049 ( -0.173 0.000 0.836) 0.854 30.118 ( 0.770 0.000 -2.752) 2.858 30.178 ( -3.814 0.000 3.985) 5.516 30.230 ( 3.431 0.000 0.578) 3.479 30.423 ( 4.104 0.000 4.883) 6.379 30.497 ( -1.865 0.000 -0.957) 2.096 30.652 ( -11.449 0.000 4.698) 12.375 30.766 ( 0.813 0.000 -2.729) 2.847 31.028 ( 3.418 0.000 1.693) 3.814 31.145 ( -3.888 0.000 -1.528) 4.177 31.185 ( -2.363 0.000 12.071) 12.300 31.622 ( -8.900 0.000 12.026) 14.961 31.761 ( -1.763 0.000 3.558) 3.971 31.842 ( 2.169 0.000 -11.798) 11.995 32.072 ( -4.818 0.000 -13.331) 14.175 32.100 ( 5.587 0.000 -13.069) 14.213 32.999 ( -1.335 0.000 10.910) 10.991 33.415 ( 5.783 0.000 -8.757) 10.494 33.597 ( 10.223 0.000 12.167) 15.892 34.021 ( -2.409 0.000 4.898) 5.458 34.032 ( -27.913 0.000 -8.905) 29.299 34.273 ( 2.074 0.000 -6.393) 6.721 34.309 ( -7.439 0.000 4.021) 8.457 34.523 ( 29.195 0.000 -5.636) 29.734 ======================= Grid point 92 (42/80) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 14.957 0.000 26.412) 30.353 1.838 ( 8.512 0.000 31.138) 32.280 2.875 ( 31.905 0.000 33.759) 46.450 3.035 ( 8.188 0.000 -26.516) 27.752 3.091 ( 8.270 0.000 15.716) 17.759 3.345 ( 3.348 0.000 -3.288) 4.693 3.582 ( -1.296 0.000 -0.003) 1.296 3.751 ( -10.265 0.000 2.039) 10.465 3.838 ( 0.395 0.000 -10.270) 10.278 3.916 ( 0.931 0.000 4.238) 4.340 3.979 ( -6.783 0.000 -0.928) 6.846 4.004 ( 2.228 0.000 24.079) 24.182 4.149 ( -7.493 0.000 -14.739) 16.535 4.169 ( -1.529 0.000 -11.016) 11.121 4.448 ( -5.336 0.000 5.222) 7.466 4.453 ( -6.633 0.000 -5.056) 8.340 4.605 ( -5.408 0.000 -7.977) 9.637 4.638 ( 7.219 0.000 6.693) 9.844 4.803 ( 0.764 0.000 -2.657) 2.764 5.047 ( -7.483 0.000 -1.046) 7.555 5.123 ( 9.011 0.000 -18.779) 20.829 5.181 ( 7.823 0.000 -10.319) 12.949 5.460 ( -0.215 0.000 -4.301) 4.306 5.470 ( 2.874 0.000 -5.184) 5.928 5.558 ( 5.376 0.000 -2.615) 5.978 5.784 ( -17.142 0.000 19.855) 26.231 5.794 ( -13.401 0.000 -0.806) 13.425 5.961 ( 6.345 0.000 5.068) 8.120 5.998 ( 6.670 0.000 4.297) 7.934 6.225 ( -2.507 0.000 -21.388) 21.535 6.298 ( 4.704 0.000 -6.664) 8.157 6.407 ( 7.653 0.000 5.162) 9.232 6.439 ( 9.125 0.000 0.238) 9.128 6.630 ( -9.716 0.000 2.117) 9.944 6.840 ( -5.662 0.000 -4.088) 6.983 6.975 ( 2.040 0.000 -7.519) 7.791 7.142 ( 0.216 0.000 12.212) 12.214 7.202 ( -10.103 0.000 -5.306) 11.412 7.271 ( -4.677 0.000 -6.077) 7.669 7.326 ( -2.513 0.000 4.655) 5.290 7.655 ( -5.208 0.000 4.292) 6.749 7.827 ( 6.751 0.000 -2.061) 7.058 7.922 ( -4.783 0.000 3.773) 6.092 8.076 ( -23.443 0.000 12.825) 26.721 8.117 ( 5.851 0.000 1.770) 6.113 8.224 ( 2.122 0.000 0.139) 2.127 8.462 ( 10.265 0.000 -12.915) 16.498 8.529 ( -7.124 0.000 -4.787) 8.583 8.565 ( -1.726 0.000 -4.349) 4.679 8.769 ( 6.647 0.000 7.551) 10.060 9.212 ( 5.056 0.000 11.328) 12.405 9.275 ( -9.077 0.000 -2.099) 9.316 9.575 ( 2.595 0.000 -6.163) 6.687 9.700 ( 1.937 0.000 2.895) 3.483 9.810 ( 4.958 0.000 -6.225) 7.958 9.898 ( 2.376 0.000 -5.911) 6.370 10.269 ( 1.650 0.000 6.412) 6.621 10.481 ( 8.101 0.000 3.247) 8.727 11.039 ( -2.955 0.000 8.523) 9.021 11.186 ( -1.441 0.000 -1.294) 1.937 11.309 ( 5.619 0.000 -12.041) 13.288 11.484 ( -8.284 0.000 20.498) 22.109 11.679 ( 3.990 0.000 2.348) 4.630 12.078 ( 7.231 0.000 7.214) 10.213 12.159 ( -0.769 0.000 -9.896) 9.926 12.553 ( -2.318 0.000 17.924) 18.074 12.650 ( -4.134 0.000 0.065) 4.134 12.812 ( 0.375 0.000 2.454) 2.483 13.004 ( 2.198 0.000 -19.276) 19.401 13.198 ( -4.099 0.000 -14.061) 14.646 13.700 ( 11.768 0.000 9.917) 15.390 13.931 ( 8.782 0.000 -14.038) 16.559 14.124 ( 0.951 0.000 0.402) 1.032 14.194 ( 4.797 0.000 -1.362) 4.986 14.342 ( -0.133 0.000 3.320) 3.323 14.504 ( -4.161 0.000 8.038) 9.051 14.548 ( 1.140 0.000 -4.226) 4.377 14.556 ( -2.244 0.000 4.610) 5.127 14.875 ( 0.208 0.000 -7.236) 7.239 14.881 ( -3.863 0.000 -1.654) 4.202 14.979 ( 2.560 0.000 0.417) 2.593 15.272 ( -11.301 0.000 -0.747) 11.326 15.397 ( -3.440 0.000 -2.413) 4.202 15.441 ( 7.231 0.000 -5.878) 9.319 15.862 ( -4.482 0.000 3.394) 5.623 15.911 ( 9.334 0.000 5.322) 10.745 16.041 ( -1.674 0.000 0.049) 1.675 16.129 ( 5.273 0.000 -12.764) 13.811 16.418 ( -1.280 0.000 -4.662) 4.835 16.430 ( -3.057 0.000 4.077) 5.096 16.731 ( -6.969 0.000 2.933) 7.561 16.733 ( -2.889 0.000 -1.188) 3.124 17.006 ( 6.176 0.000 1.883) 6.456 17.051 ( -4.834 0.000 -0.898) 4.917 17.385 ( -16.285 0.000 15.289) 22.337 17.636 ( -3.554 0.000 3.914) 5.287 18.035 ( 4.094 0.000 -1.073) 4.232 18.319 ( -5.841 0.000 0.644) 5.876 18.626 ( 9.386 0.000 11.850) 15.117 18.770 ( 3.259 0.000 -21.803) 22.046 20.488 ( -2.171 0.000 -0.293) 2.191 20.772 ( 5.072 0.000 -2.208) 5.531 21.360 ( 6.622 0.000 1.922) 6.895 21.380 ( -5.435 0.000 5.178) 7.506 21.611 ( -1.156 0.000 4.204) 4.359 21.802 ( -2.578 0.000 -1.297) 2.886 21.981 ( 5.567 0.000 9.338) 10.871 22.034 ( 2.642 0.000 -2.178) 3.425 22.317 ( 0.160 0.000 0.542) 0.565 22.487 ( 0.309 0.000 -9.803) 9.807 22.584 ( 4.558 0.000 5.414) 7.077 22.719 ( 10.510 0.000 -10.213) 14.655 22.802 ( -2.531 0.000 8.780) 9.138 23.186 ( 3.121 0.000 2.641) 4.089 23.382 ( 0.739 0.000 -1.110) 1.334 23.424 ( -4.343 0.000 -1.100) 4.480 23.554 ( -1.608 0.000 0.084) 1.611 23.632 ( 2.707 0.000 -1.477) 3.084 24.151 ( -2.921 0.000 4.760) 5.585 24.391 ( -3.740 0.000 -7.284) 8.188 24.437 ( -3.664 0.000 -5.467) 6.581 24.624 ( 17.160 0.000 -0.546) 17.169 25.498 ( -2.058 0.000 8.976) 9.209 25.517 ( -12.985 0.000 -6.451) 14.499 28.993 ( -0.819 0.000 0.927) 1.237 29.070 ( -2.467 0.000 -3.391) 4.193 29.492 ( 0.636 0.000 4.584) 4.628 29.603 ( -2.728 0.000 -2.534) 3.723 29.830 ( 0.459 0.000 1.988) 2.041 29.859 ( -2.307 0.000 -2.597) 3.474 29.875 ( 1.943 0.000 0.287) 1.964 29.990 ( 3.724 0.000 -0.979) 3.851 30.011 ( -1.603 0.000 -1.137) 1.965 30.070 ( -3.994 0.000 -1.018) 4.122 30.113 ( -0.989 0.000 3.244) 3.392 30.293 ( 2.080 0.000 3.198) 3.815 30.435 ( -7.635 0.000 8.247) 11.238 30.445 ( -2.834 0.000 -1.990) 3.463 30.527 ( 5.187 0.000 5.770) 7.759 30.813 ( 3.363 0.000 -2.237) 4.039 31.055 ( -3.357 0.000 -0.735) 3.436 31.072 ( 0.205 0.000 1.598) 1.611 31.173 ( 3.104 0.000 14.933) 15.252 31.525 ( -1.135 0.000 14.335) 14.380 31.758 ( 1.373 0.000 2.477) 2.833 31.778 ( -6.182 0.000 -14.099) 15.395 32.068 ( 2.357 0.000 -7.005) 7.391 32.225 ( 5.323 0.000 -12.615) 13.692 32.879 ( -8.242 0.000 6.864) 10.726 33.256 ( -16.136 0.000 -7.188) 17.665 33.509 ( -18.138 0.000 3.743) 18.520 33.641 ( -9.414 0.000 5.870) 11.094 33.993 ( 5.972 0.000 9.458) 11.185 34.388 ( 10.438 0.000 4.880) 11.522 34.424 ( 13.392 0.000 -10.176) 16.820 35.154 ( 20.405 0.000 -19.783) 28.421 ======================= Grid point 93 (43/80) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 28.535 0.000 7.298) 29.453 2.146 ( 18.034 0.000 11.552) 21.417 2.919 ( -13.921 0.000 14.315) 19.967 3.150 ( 3.999 0.000 -20.256) 20.646 3.394 ( 0.592 0.000 5.150) 5.184 3.500 ( -6.482 0.000 0.520) 6.503 3.515 ( -7.189 0.000 7.700) 10.534 3.708 ( -11.910 0.000 6.633) 13.632 3.752 ( 22.979 0.000 -3.309) 23.216 3.867 ( -8.863 0.000 -8.712) 12.427 3.996 ( 18.048 0.000 28.023) 33.332 4.016 ( -6.998 0.000 5.942) 9.181 4.106 ( -1.719 0.000 -18.479) 18.559 4.218 ( -1.533 0.000 -3.191) 3.540 4.283 ( 14.196 0.000 15.551) 21.056 4.453 ( 7.484 0.000 -5.003) 9.003 4.643 ( 5.539 0.000 -12.271) 13.463 4.774 ( -6.959 0.000 0.131) 6.960 4.824 ( 1.742 0.000 -1.732) 2.456 4.889 ( 8.518 0.000 8.227) 11.842 5.170 ( -11.323 0.000 -4.419) 12.155 5.284 ( -0.186 0.000 -7.651) 7.653 5.390 ( -12.777 0.000 1.834) 12.907 5.396 ( -4.608 0.000 -4.597) 6.509 5.553 ( -4.718 0.000 -15.040) 15.763 5.568 ( 6.344 0.000 2.634) 6.869 5.754 ( 1.101 0.000 7.694) 7.772 5.937 ( -4.817 0.000 1.798) 5.142 6.052 ( -1.237 0.000 -14.715) 14.767 6.213 ( 5.451 0.000 -7.358) 9.157 6.273 ( -17.509 0.000 11.026) 20.692 6.451 ( 8.962 0.000 -8.242) 12.176 6.590 ( 2.749 0.000 0.078) 2.751 6.724 ( 10.978 0.000 1.743) 11.116 6.843 ( 6.421 0.000 -0.568) 6.446 6.966 ( -0.970 0.000 -15.203) 15.233 7.083 ( -1.530 0.000 1.266) 1.985 7.205 ( 5.877 0.000 3.734) 6.963 7.246 ( 1.523 0.000 1.764) 2.331 7.267 ( -3.188 0.000 6.289) 7.050 7.554 ( -3.821 0.000 1.199) 4.005 7.561 ( -19.425 0.000 9.116) 21.457 7.726 ( -12.931 0.000 7.141) 14.772 7.928 ( 0.773 0.000 -3.033) 3.130 8.116 ( -9.468 0.000 -1.643) 9.610 8.291 ( 7.010 0.000 -11.774) 13.703 8.370 ( -2.214 0.000 8.287) 8.578 8.508 ( 1.279 0.000 -3.313) 3.551 8.722 ( 11.894 0.000 -9.810) 15.417 8.930 ( -5.421 0.000 5.655) 7.834 9.167 ( 6.223 0.000 -3.322) 7.054 9.379 ( 7.866 0.000 5.801) 9.774 9.558 ( -4.744 0.000 -1.696) 5.038 9.640 ( -4.998 0.000 5.243) 7.244 9.836 ( -5.639 0.000 -0.123) 5.641 9.887 ( 2.534 0.000 -8.491) 8.861 10.320 ( 3.365 0.000 6.637) 7.442 10.656 ( 4.479 0.000 -0.899) 4.568 10.988 ( -1.135 0.000 6.884) 6.977 11.158 ( -2.437 0.000 5.378) 5.904 11.305 ( -6.298 0.000 16.689) 17.838 11.563 ( 16.422 0.000 -14.576) 21.958 11.738 ( 0.833 0.000 5.995) 6.052 12.140 ( -1.470 0.000 -8.705) 8.828 12.268 ( 9.986 0.000 4.255) 10.854 12.458 ( -5.863 0.000 15.825) 16.876 12.541 ( -5.119 0.000 1.093) 5.235 12.824 ( -0.898 0.000 5.305) 5.381 13.097 ( 2.518 0.000 -14.860) 15.072 13.113 ( 0.867 0.000 -19.286) 19.305 13.967 ( 11.148 0.000 11.966) 16.354 14.101 ( -3.021 0.000 3.100) 4.329 14.157 ( 9.559 0.000 -14.355) 17.246 14.275 ( 3.291 0.000 1.790) 3.746 14.349 ( 0.728 0.000 2.566) 2.667 14.435 ( -3.005 0.000 4.720) 5.595 14.504 ( -2.225 0.000 3.444) 4.101 14.628 ( 7.194 0.000 -7.646) 10.498 14.790 ( -4.090 0.000 -0.193) 4.095 14.886 ( -1.213 0.000 -4.083) 4.259 14.997 ( -0.205 0.000 -8.769) 8.772 15.014 ( -11.282 0.000 -1.755) 11.418 15.361 ( 1.604 0.000 -0.688) 1.746 15.480 ( -1.867 0.000 -4.291) 4.680 15.795 ( -2.811 0.000 3.904) 4.811 15.898 ( -7.847 0.000 -2.733) 8.309 16.130 ( 7.710 0.000 5.926) 9.724 16.272 ( 6.849 0.000 -5.524) 8.799 16.407 ( -0.168 0.000 -9.634) 9.635 16.413 ( 1.126 0.000 7.900) 7.980 16.522 ( -11.714 0.000 5.734) 13.042 16.775 ( 9.005 0.000 -2.313) 9.297 16.895 ( -17.534 0.000 16.098) 23.804 16.936 ( -4.690 0.000 -5.115) 6.939 17.235 ( 4.467 0.000 1.604) 4.746 17.535 ( -6.285 0.000 2.898) 6.921 18.094 ( 1.246 0.000 3.833) 4.030 18.156 ( -7.692 0.000 3.330) 8.382 18.791 ( 4.629 0.000 6.376) 7.879 18.914 ( 8.733 0.000 -16.610) 18.766 20.536 ( 6.623 0.000 4.260) 7.875 20.850 ( 1.749 0.000 1.158) 2.097 21.276 ( -4.145 0.000 2.935) 5.079 21.510 ( 3.451 0.000 -2.516) 4.271 21.602 ( 2.571 0.000 -1.710) 3.088 21.732 ( -4.505 0.000 -1.490) 4.745 22.061 ( 2.825 0.000 2.509) 3.779 22.109 ( 3.554 0.000 2.267) 4.215 22.304 ( -3.711 0.000 5.253) 6.432 22.474 ( -0.642 0.000 -11.387) 11.405 22.616 ( -0.998 0.000 8.598) 8.656 22.801 ( 2.416 0.000 9.649) 9.947 22.888 ( 4.900 0.000 -9.503) 10.691 23.266 ( -0.660 0.000 5.996) 6.032 23.357 ( 2.886 0.000 -6.633) 7.233 23.411 ( 0.932 0.000 1.091) 1.435 23.530 ( 0.420 0.000 5.840) 5.855 23.752 ( 8.127 0.000 -2.630) 8.542 24.040 ( -5.502 0.000 7.562) 9.352 24.312 ( -2.314 0.000 -7.385) 7.739 24.381 ( -0.886 0.000 -6.586) 6.646 24.898 ( 0.395 0.000 -8.396) 8.405 25.292 ( -1.653 0.000 -5.319) 5.570 25.385 ( -8.225 0.000 9.637) 12.670 28.971 ( -0.967 0.000 0.442) 1.063 29.023 ( -1.525 0.000 -2.680) 3.083 29.509 ( 0.588 0.000 3.097) 3.152 29.572 ( -0.033 0.000 -2.116) 2.117 29.821 ( -1.125 0.000 -0.855) 1.413 29.822 ( -0.927 0.000 1.662) 1.903 29.885 ( -0.760 0.000 1.906) 2.051 29.947 ( -1.794 0.000 -1.535) 2.361 29.991 ( -1.471 0.000 1.157) 1.871 30.064 ( 0.564 0.000 -1.402) 1.511 30.197 ( 6.983 0.000 0.023) 6.983 30.307 ( -5.153 0.000 5.543) 7.568 30.313 ( -1.098 0.000 6.245) 6.341 30.386 ( -1.204 0.000 -4.650) 4.803 30.635 ( 4.607 0.000 6.603) 8.051 30.898 ( 3.814 0.000 -3.086) 4.906 31.020 ( 0.036 0.000 1.524) 1.524 31.065 ( -0.436 0.000 1.008) 1.098 31.270 ( 4.268 0.000 16.603) 17.143 31.500 ( -2.422 0.000 9.809) 10.104 31.666 ( -2.944 0.000 -11.380) 11.754 31.853 ( 7.756 0.000 1.767) 7.955 32.093 ( -0.544 0.000 -9.686) 9.701 32.290 ( 1.265 0.000 -7.513) 7.618 32.714 ( -6.304 0.000 -0.931) 6.372 32.885 ( -16.356 0.000 -4.517) 16.968 33.245 ( -7.428 0.000 5.577) 9.288 33.417 ( -8.700 0.000 -1.167) 8.778 34.146 ( 5.790 0.000 14.146) 15.285 34.622 ( 9.776 0.000 8.228) 12.778 34.722 ( 13.026 0.000 -15.338) 20.123 35.370 ( 1.689 0.000 -17.259) 17.341 ======================= Grid point 94 (44/80) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -17.660 0.000 4.188) 18.150 2.519 ( 14.650 0.000 -8.103) 16.742 2.761 ( 18.471 0.000 7.013) 19.758 3.150 ( -12.868 0.000 3.354) 13.298 3.318 ( -7.803 0.000 1.576) 7.960 3.330 ( -5.025 0.000 12.377) 13.358 3.483 ( 0.738 0.000 5.360) 5.410 3.528 ( 0.978 0.000 -1.412) 1.717 3.696 ( -2.474 0.000 -2.362) 3.420 3.754 ( -6.926 0.000 7.767) 10.407 3.899 ( 3.527 0.000 8.525) 9.226 4.054 ( -2.345 0.000 -10.061) 10.330 4.348 ( -6.626 0.000 0.944) 6.693 4.435 ( 5.349 0.000 -4.021) 6.691 4.461 ( 3.786 0.000 -1.136) 3.952 4.720 ( 3.949 0.000 -1.620) 4.268 4.740 ( 4.618 0.000 1.508) 4.858 4.836 ( -7.752 0.000 6.917) 10.389 4.844 ( 0.014 0.000 -6.400) 6.400 4.944 ( -0.748 0.000 -3.924) 3.995 4.959 ( 19.070 0.000 -0.279) 19.072 5.211 ( -6.585 0.000 -12.653) 14.264 5.272 ( -3.561 0.000 -2.648) 4.437 5.333 ( 4.537 0.000 6.878) 8.240 5.358 ( 0.712 0.000 4.140) 4.200 5.670 ( 0.693 0.000 -2.835) 2.919 5.767 ( 8.345 0.000 -14.178) 16.451 5.939 ( -8.435 0.000 12.482) 15.065 5.974 ( -5.163 0.000 -18.860) 19.554 6.088 ( 4.943 0.000 11.230) 12.269 6.320 ( 3.626 0.000 -0.794) 3.712 6.487 ( -8.279 0.000 -1.508) 8.415 6.640 ( 7.667 0.000 -5.877) 9.660 6.755 ( -3.939 0.000 -12.792) 13.385 6.968 ( -1.081 0.000 5.710) 5.811 6.989 ( -6.315 0.000 12.880) 14.345 7.067 ( -11.482 0.000 -0.238) 11.485 7.124 ( 7.493 0.000 -3.664) 8.341 7.221 ( -4.087 0.000 -0.611) 4.133 7.370 ( 0.702 0.000 3.502) 3.572 7.404 ( 7.853 0.000 -0.187) 7.855 7.448 ( -7.407 0.000 9.844) 12.319 7.617 ( 12.228 0.000 -1.154) 12.282 7.943 ( -5.847 0.000 0.029) 5.847 7.993 ( 5.423 0.000 -3.024) 6.209 8.357 ( 3.106 0.000 -13.012) 13.377 8.365 ( -0.824 0.000 8.419) 8.460 8.614 ( 4.677 0.000 -5.982) 7.594 8.732 ( -7.513 0.000 1.989) 7.772 8.947 ( 8.130 0.000 -12.307) 14.750 9.323 ( 4.249 0.000 2.847) 5.115 9.361 ( -11.205 0.000 1.821) 11.352 9.513 ( 3.211 0.000 2.815) 4.270 9.560 ( -1.442 0.000 2.397) 2.797 9.727 ( -4.084 0.000 1.394) 4.316 9.927 ( 0.810 0.000 -4.715) 4.784 10.432 ( 7.411 0.000 4.524) 8.682 10.651 ( -3.540 0.000 -0.254) 3.549 11.007 ( 2.249 0.000 1.972) 2.991 11.015 ( -10.650 0.000 24.012) 26.268 11.278 ( 2.403 0.000 -4.995) 5.542 11.724 ( -1.867 0.000 9.725) 9.902 11.878 ( 9.378 0.000 -11.599) 14.916 12.088 ( -1.727 0.000 -7.224) 7.427 12.309 ( -6.313 0.000 16.664) 17.820 12.465 ( -1.280 0.000 1.793) 2.203 12.510 ( 9.340 0.000 4.824) 10.512 12.755 ( -4.024 0.000 2.787) 4.895 13.016 ( -3.602 0.000 -20.324) 20.640 13.300 ( 9.577 0.000 -16.358) 18.956 13.951 ( -9.555 0.000 8.975) 13.109 14.128 ( 0.345 0.000 10.038) 10.044 14.177 ( -3.570 0.000 -1.978) 4.081 14.353 ( -4.169 0.000 2.572) 4.899 14.360 ( 0.132 0.000 2.308) 2.312 14.474 ( 10.170 0.000 -6.386) 12.009 14.490 ( 1.369 0.000 1.491) 2.024 14.763 ( 1.757 0.000 1.083) 2.064 14.768 ( -4.238 0.000 -3.452) 5.467 14.838 ( 9.822 0.000 -7.631) 12.438 14.841 ( -2.825 0.000 -4.670) 5.458 15.052 ( 3.069 0.000 -14.906) 15.218 15.354 ( -5.110 0.000 2.054) 5.507 15.463 ( 0.999 0.000 -1.819) 2.076 15.708 ( -4.107 0.000 2.807) 4.974 15.807 ( 1.947 0.000 -1.035) 2.205 16.173 ( -10.914 0.000 8.495) 13.831 16.237 ( -8.481 0.000 2.928) 8.972 16.317 ( -1.783 0.000 -2.771) 3.295 16.499 ( 6.329 0.000 8.015) 10.213 16.522 ( 10.385 0.000 -3.549) 10.975 16.625 ( -3.722 0.000 15.082) 15.535 16.830 ( -2.656 0.000 -7.841) 8.278 17.122 ( 18.964 0.000 -10.003) 21.441 17.363 ( 6.831 0.000 3.836) 7.834 17.364 ( -9.383 0.000 1.352) 9.480 18.002 ( -6.982 0.000 8.122) 10.710 18.084 ( -2.396 0.000 6.372) 6.807 18.789 ( -5.072 0.000 -0.474) 5.094 19.104 ( 8.577 0.000 -12.318) 15.010 20.749 ( 11.945 0.000 8.241) 14.512 20.833 ( -3.510 0.000 0.530) 3.550 21.196 ( -3.484 0.000 1.127) 3.662 21.440 ( -5.784 0.000 -6.835) 8.954 21.611 ( -6.255 0.000 -0.512) 6.276 21.741 ( 6.111 0.000 -3.534) 7.059 22.085 ( -5.312 0.000 9.617) 10.986 22.128 ( -2.223 0.000 2.109) 3.064 22.197 ( -0.203 0.000 -0.769) 0.795 22.519 ( 5.341 0.000 -9.526) 10.922 22.554 ( -4.669 0.000 9.515) 10.599 22.901 ( 6.023 0.000 9.571) 11.309 22.930 ( -0.047 0.000 -4.388) 4.389 23.218 ( -2.122 0.000 -3.428) 4.032 23.413 ( -0.612 0.000 1.470) 1.593 23.425 ( 1.834 0.000 0.421) 1.882 23.626 ( 6.860 0.000 5.520) 8.805 23.833 ( -2.611 0.000 -3.517) 4.381 23.951 ( -2.721 0.000 8.496) 8.921 24.327 ( 2.169 0.000 -7.321) 7.635 24.479 ( 12.400 0.000 -3.590) 12.909 24.613 ( -19.441 0.000 -11.569) 22.623 25.174 ( -10.930 0.000 9.292) 14.346 25.462 ( 11.070 0.000 -3.153) 11.511 28.959 ( -0.105 0.000 0.335) 0.351 29.007 ( 0.090 0.000 -3.003) 3.004 29.515 ( 0.021 0.000 2.174) 2.174 29.597 ( 2.111 0.000 -2.438) 3.225 29.797 ( -1.177 0.000 0.917) 1.492 29.823 ( 1.713 0.000 0.231) 1.729 29.863 ( -0.483 0.000 0.954) 1.069 29.932 ( -0.053 0.000 -1.773) 1.773 30.021 ( 2.782 0.000 -0.096) 2.783 30.038 ( -1.812 0.000 -0.277) 1.833 30.206 ( -3.783 0.000 6.695) 7.690 30.219 ( -6.101 0.000 2.591) 6.629 30.336 ( 4.586 0.000 2.372) 5.163 30.427 ( 3.181 0.000 -2.959) 4.345 30.730 ( 4.385 0.000 4.145) 6.034 30.924 ( -1.289 0.000 -3.378) 3.615 31.058 ( 2.626 0.000 1.969) 3.282 31.060 ( 0.087 0.000 0.895) 0.899 31.295 ( -4.046 0.000 14.601) 15.151 31.483 ( 3.378 0.000 8.944) 9.561 31.675 ( 3.802 0.000 -8.032) 8.886 32.032 ( -4.229 0.000 -12.859) 13.536 32.048 ( 8.654 0.000 -0.439) 8.665 32.328 ( 2.682 0.000 -5.343) 5.978 32.609 ( -8.241 0.000 0.260) 8.245 32.620 ( -2.183 0.000 -5.882) 6.274 33.176 ( 0.956 0.000 4.869) 4.962 33.292 ( -3.102 0.000 -0.620) 3.163 34.213 ( 0.121 0.000 13.538) 13.538 34.771 ( 3.501 0.000 10.769) 11.324 34.933 ( 6.215 0.000 -20.222) 21.156 35.279 ( -8.986 0.000 -12.663) 15.527 ======================= Grid point 95 (45/80) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -23.672 0.000 18.355) 29.954 2.626 ( -25.370 0.000 27.468) 37.392 2.714 ( 1.588 0.000 -26.142) 26.190 3.192 ( 7.442 0.000 -10.601) 12.952 3.238 ( -0.370 0.000 15.447) 15.451 3.339 ( 6.521 0.000 -4.111) 7.709 3.530 ( 8.366 0.000 11.642) 14.336 3.617 ( 6.454 0.000 3.431) 7.310 3.704 ( 1.930 0.000 -0.750) 2.070 3.814 ( -36.741 0.000 13.317) 39.080 3.866 ( 12.301 0.000 -6.456) 13.892 4.012 ( 0.089 0.000 16.971) 16.971 4.023 ( -0.010 0.000 -0.149) 0.149 4.298 ( -10.400 0.000 8.344) 13.334 4.406 ( 0.528 0.000 -1.518) 1.607 4.443 ( -10.746 0.000 -15.258) 18.663 4.798 ( -3.304 0.000 -11.620) 12.080 4.872 ( 9.539 0.000 1.401) 9.641 4.896 ( 3.614 0.000 0.562) 3.657 4.978 ( -0.055 0.000 -6.134) 6.134 5.118 ( -3.402 0.000 -13.066) 13.502 5.181 ( -13.463 0.000 3.910) 14.019 5.379 ( 3.049 0.000 2.477) 3.928 5.392 ( 8.032 0.000 2.289) 8.352 5.581 ( 13.142 0.000 -9.507) 16.221 5.818 ( -0.783 0.000 11.252) 11.279 5.874 ( -0.540 0.000 -15.245) 15.255 5.910 ( 4.541 0.000 -11.707) 12.556 5.932 ( 20.255 0.000 -6.016) 21.130 6.195 ( 4.336 0.000 14.872) 15.491 6.303 ( -5.949 0.000 -2.001) 6.277 6.375 ( -0.147 0.000 4.585) 4.587 6.563 ( -17.820 0.000 2.206) 17.956 6.633 ( -5.842 0.000 -15.756) 16.804 6.822 ( 4.069 0.000 -8.703) 9.607 6.867 ( -4.716 0.000 -0.012) 4.716 7.039 ( -8.573 0.000 9.596) 12.868 7.112 ( 6.742 0.000 8.210) 10.624 7.232 ( 2.764 0.000 0.354) 2.787 7.424 ( 3.172 0.000 5.788) 6.600 7.447 ( 6.433 0.000 3.775) 7.459 7.557 ( 3.899 0.000 -1.433) 4.154 7.853 ( 0.140 0.000 5.038) 5.040 8.047 ( 22.171 0.000 -10.943) 24.724 8.105 ( 4.374 0.000 -2.909) 5.253 8.296 ( -2.825 0.000 4.262) 5.114 8.473 ( 5.281 0.000 -14.647) 15.570 8.605 ( -6.224 0.000 -4.392) 7.618 8.675 ( -0.801 0.000 2.681) 2.798 9.059 ( 3.188 0.000 -4.176) 5.254 9.100 ( -10.584 0.000 1.971) 10.766 9.301 ( -5.226 0.000 3.953) 6.553 9.581 ( 2.972 0.000 2.377) 3.806 9.587 ( 2.532 0.000 3.896) 4.647 9.686 ( 0.664 0.000 -1.645) 1.774 9.871 ( -6.716 0.000 1.085) 6.803 10.548 ( -5.436 0.000 -1.919) 5.765 10.570 ( -3.442 0.000 8.806) 9.454 10.822 ( 1.715 0.000 9.524) 9.678 11.062 ( 2.414 0.000 1.620) 2.907 11.351 ( 3.429 0.000 -6.840) 7.651 11.681 ( -1.679 0.000 11.965) 12.083 11.825 ( -9.836 0.000 -3.366) 10.396 12.152 ( 3.928 0.000 -10.448) 11.162 12.172 ( -6.375 0.000 19.561) 20.573 12.507 ( 4.770 0.000 1.532) 5.010 12.581 ( -1.476 0.000 9.055) 9.174 12.792 ( 5.932 0.000 -2.883) 6.596 12.958 ( -1.245 0.000 -24.160) 24.192 13.442 ( 2.826 0.000 -15.026) 15.289 13.704 ( -12.039 0.000 8.557) 14.770 14.047 ( -5.042 0.000 8.674) 10.033 14.094 ( -3.357 0.000 0.298) 3.370 14.213 ( -8.438 0.000 0.377) 8.447 14.372 ( 0.456 0.000 2.920) 2.955 14.536 ( 1.935 0.000 2.555) 3.205 14.638 ( 4.309 0.000 -6.004) 7.390 14.741 ( 1.380 0.000 -6.029) 6.185 14.777 ( 3.674 0.000 -3.837) 5.313 14.955 ( -2.573 0.000 -10.148) 10.469 14.957 ( 7.445 0.000 -3.635) 8.285 15.132 ( 5.891 0.000 -3.801) 7.011 15.242 ( -1.195 0.000 2.630) 2.889 15.448 ( -2.565 0.000 -3.512) 4.349 15.735 ( 6.884 0.000 4.834) 8.412 15.761 ( -13.902 0.000 8.490) 16.290 15.971 ( 1.185 0.000 -0.161) 1.196 16.153 ( 1.458 0.000 3.803) 4.073 16.259 ( -3.534 0.000 -1.313) 3.770 16.641 ( 4.851 0.000 7.357) 8.812 16.724 ( 10.495 0.000 6.576) 12.385 16.727 ( 6.334 0.000 -2.819) 6.933 16.795 ( -0.892 0.000 -9.657) 9.699 17.160 ( -7.335 0.000 1.458) 7.478 17.532 ( 8.973 0.000 6.192) 10.902 17.555 ( 20.070 0.000 -12.275) 23.526 17.860 ( -6.001 0.000 11.187) 12.695 18.002 ( -4.854 0.000 8.646) 9.916 18.592 ( -12.258 0.000 -2.985) 12.616 19.235 ( 2.513 0.000 -11.195) 11.473 20.715 ( -6.357 0.000 -4.789) 7.959 20.935 ( 0.617 0.000 1.773) 1.878 21.179 ( 5.302 0.000 10.977) 12.191 21.329 ( -4.032 0.000 -1.406) 4.270 21.507 ( -2.314 0.000 -1.327) 2.668 21.798 ( -1.244 0.000 3.131) 3.369 21.903 ( -7.947 0.000 6.723) 10.410 22.061 ( -2.888 0.000 -0.785) 2.993 22.275 ( 4.622 0.000 -1.332) 4.810 22.455 ( -4.033 0.000 7.415) 8.441 22.617 ( 1.545 0.000 -7.843) 7.994 22.963 ( 4.800 0.000 -0.523) 4.828 23.012 ( 2.702 0.000 10.694) 11.030 23.160 ( -3.382 0.000 -5.895) 6.796 23.396 ( -0.416 0.000 -0.043) 0.418 23.453 ( -0.067 0.000 -1.080) 1.083 23.686 ( -5.156 0.000 -0.183) 5.159 23.714 ( -6.501 0.000 -3.571) 7.417 23.904 ( -2.360 0.000 8.560) 8.879 24.272 ( -6.736 0.000 -3.964) 7.816 24.379 ( 2.842 0.000 -7.519) 8.038 24.759 ( 5.240 0.000 -0.902) 5.317 25.004 ( 1.418 0.000 7.935) 8.061 25.672 ( 8.137 0.000 -3.065) 8.695 28.966 ( 0.665 0.000 0.576) 0.879 29.026 ( 1.704 0.000 -3.344) 3.753 29.515 ( 0.021 0.000 2.162) 2.162 29.645 ( 2.214 0.000 -2.923) 3.667 29.777 ( -0.708 0.000 0.623) 0.943 29.869 ( 0.338 0.000 2.167) 2.193 29.895 ( 4.287 0.000 1.284) 4.475 29.927 ( -0.422 0.000 -0.941) 1.031 29.997 ( -2.888 0.000 -2.696) 3.951 30.030 ( -1.456 0.000 -1.007) 1.770 30.122 ( -1.062 0.000 1.050) 1.493 30.204 ( 3.370 0.000 4.530) 5.646 30.371 ( -1.083 0.000 7.417) 7.495 30.486 ( 2.243 0.000 -1.888) 2.932 30.823 ( 4.140 0.000 -0.805) 4.217 30.867 ( -3.638 0.000 -3.672) 5.169 31.054 ( -2.816 0.000 1.134) 3.036 31.111 ( 2.638 0.000 1.146) 2.877 31.182 ( -3.180 0.000 9.929) 10.426 31.607 ( 6.259 0.000 10.701) 12.397 31.781 ( 4.219 0.000 -6.516) 7.763 31.954 ( -1.660 0.000 -14.158) 14.255 32.112 ( -4.126 0.000 -1.228) 4.305 32.338 ( -2.961 0.000 -15.967) 16.240 32.632 ( 12.134 0.000 6.412) 13.724 32.672 ( 7.884 0.000 3.485) 8.620 33.282 ( 2.224 0.000 3.103) 3.818 33.299 ( 10.893 0.000 3.715) 11.509 34.164 ( -4.418 0.000 10.545) 11.433 34.760 ( -4.921 0.000 11.931) 12.906 34.941 ( -6.959 0.000 -21.759) 22.845 35.018 ( -13.772 0.000 -12.408) 18.537 ======================= Grid point 96 (46/80) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -4.622 0.000 35.381) 35.682 2.113 ( -20.221 0.000 38.273) 43.286 2.749 ( 2.384 0.000 -32.701) 32.788 2.806 ( -40.712 0.000 34.051) 53.075 3.114 ( -5.514 0.000 17.726) 18.564 3.329 ( -2.618 0.000 -14.936) 15.164 3.480 ( 5.668 0.000 -2.422) 6.163 3.781 ( 6.412 0.000 -5.496) 8.445 3.821 ( 8.498 0.000 -7.650) 11.434 3.853 ( 12.141 0.000 13.556) 18.198 3.938 ( -7.861 0.000 1.973) 8.105 4.080 ( 1.961 0.000 18.072) 18.178 4.091 ( 8.774 0.000 -11.816) 14.718 4.183 ( 4.529 0.000 10.830) 11.738 4.400 ( 2.473 0.000 -14.359) 14.570 4.490 ( 4.516 0.000 -12.949) 13.714 4.772 ( 2.574 0.000 -1.917) 3.209 4.840 ( -12.599 0.000 5.361) 13.692 4.842 ( -7.052 0.000 2.377) 7.442 4.965 ( 0.183 0.000 -5.809) 5.812 5.077 ( 4.832 0.000 -5.429) 7.268 5.078 ( 0.252 0.000 -15.751) 15.754 5.353 ( -6.913 0.000 1.825) 7.150 5.386 ( -2.833 0.000 -8.474) 8.935 5.590 ( -3.577 0.000 -5.221) 6.329 5.910 ( -0.795 0.000 5.647) 5.703 5.950 ( -5.984 0.000 7.175) 9.343 5.989 ( 3.370 0.000 2.438) 4.160 6.005 ( 3.575 0.000 -11.671) 12.206 6.239 ( -3.319 0.000 -11.353) 11.828 6.316 ( -6.963 0.000 3.216) 7.669 6.353 ( 9.471 0.000 8.144) 12.491 6.494 ( 8.903 0.000 3.034) 9.406 6.527 ( -4.277 0.000 -2.004) 4.724 6.867 ( 6.428 0.000 -13.329) 14.798 6.916 ( 2.662 0.000 -5.757) 6.342 6.931 ( 0.971 0.000 12.832) 12.868 7.233 ( 3.155 0.000 0.173) 3.159 7.348 ( 8.824 0.000 -0.648) 8.848 7.509 ( 3.028 0.000 7.527) 8.113 7.597 ( 2.546 0.000 -6.635) 7.106 7.637 ( 11.843 0.000 6.317) 13.422 7.891 ( 3.254 0.000 1.851) 3.744 8.145 ( -8.005 0.000 -2.666) 8.437 8.230 ( -2.563 0.000 0.304) 2.581 8.273 ( -11.651 0.000 2.614) 11.940 8.538 ( -7.700 0.000 -0.536) 7.719 8.557 ( -1.057 0.000 -9.227) 9.288 8.627 ( 23.080 0.000 -7.611) 24.303 8.927 ( -5.964 0.000 -0.084) 5.965 9.176 ( 4.409 0.000 4.491) 6.294 9.222 ( -0.939 0.000 4.826) 4.916 9.603 ( -0.047 0.000 3.283) 3.283 9.620 ( -0.728 0.000 4.787) 4.842 9.665 ( -10.616 0.000 -1.387) 10.707 9.709 ( 1.485 0.000 -7.680) 7.823 10.349 ( -8.922 0.000 12.377) 15.257 10.451 ( -2.996 0.000 -0.488) 3.036 11.066 ( 13.100 0.000 -4.381) 13.813 11.094 ( 0.463 0.000 3.619) 3.648 11.387 ( 0.444 0.000 -5.262) 5.281 11.572 ( -12.676 0.000 -1.678) 12.786 11.687 ( 1.953 0.000 12.403) 12.556 12.048 ( -5.482 0.000 19.748) 20.495 12.197 ( 0.701 0.000 -8.914) 8.941 12.560 ( -0.549 0.000 12.782) 12.794 12.617 ( 4.544 0.000 -1.481) 4.779 12.865 ( 0.452 0.000 -1.605) 1.667 12.958 ( 1.422 0.000 -23.261) 23.305 13.415 ( -4.308 0.000 -15.582) 16.166 13.507 ( -5.219 0.000 7.875) 9.447 13.986 ( -8.500 0.000 -4.321) 9.535 14.002 ( 1.115 0.000 4.128) 4.275 14.092 ( -0.214 0.000 1.818) 1.831 14.370 ( -0.528 0.000 4.006) 4.041 14.572 ( 1.420 0.000 3.994) 4.239 14.611 ( -5.067 0.000 -8.305) 9.729 14.756 ( -0.570 0.000 -2.815) 2.872 14.923 ( -1.719 0.000 -3.209) 3.641 14.926 ( 7.839 0.000 -9.269) 12.140 15.038 ( 1.562 0.000 -2.272) 2.758 15.070 ( -6.205 0.000 7.614) 9.822 15.370 ( 3.993 0.000 -4.201) 5.796 15.443 ( 2.030 0.000 -2.821) 3.475 15.547 ( 0.061 0.000 10.720) 10.720 15.884 ( 4.556 0.000 4.003) 6.065 15.985 ( 1.200 0.000 -2.324) 2.616 16.185 ( -2.567 0.000 -3.586) 4.410 16.322 ( 11.045 0.000 1.177) 11.108 16.644 ( -9.553 0.000 -4.845) 10.712 16.699 ( 0.173 0.000 2.738) 2.743 16.830 ( 1.148 0.000 -2.739) 2.970 16.937 ( 6.760 0.000 4.410) 8.072 17.109 ( 0.919 0.000 -3.506) 3.625 17.730 ( 7.454 0.000 7.596) 10.642 17.748 ( -3.081 0.000 10.762) 11.194 17.907 ( -3.595 0.000 10.353) 10.959 17.971 ( 17.036 0.000 -11.283) 20.434 18.349 ( -6.755 0.000 -0.707) 6.792 19.159 ( -9.498 0.000 -12.429) 15.643 20.625 ( -1.018 0.000 -7.856) 7.922 20.806 ( -9.167 0.000 -4.597) 10.255 21.268 ( -1.713 0.000 4.764) 5.063 21.367 ( 7.799 0.000 11.358) 13.778 21.555 ( 8.117 0.000 1.561) 8.266 21.729 ( -3.335 0.000 14.442) 14.822 21.793 ( -2.584 0.000 1.611) 3.045 22.027 ( -0.314 0.000 -1.653) 1.683 22.356 ( 2.141 0.000 -1.948) 2.895 22.404 ( -0.289 0.000 2.999) 3.013 22.584 ( -2.972 0.000 -7.444) 8.015 22.913 ( -16.631 0.000 -6.708) 17.932 22.981 ( -4.850 0.000 11.186) 12.192 23.188 ( 5.816 0.000 -12.245) 13.556 23.337 ( -4.683 0.000 1.554) 4.934 23.419 ( 1.592 0.000 0.020) 1.592 23.552 ( -1.134 0.000 2.253) 2.522 23.600 ( -3.279 0.000 -2.385) 4.054 23.913 ( 2.597 0.000 12.999) 13.256 24.309 ( 5.478 0.000 2.989) 6.241 24.435 ( 2.024 0.000 -6.762) 7.059 24.658 ( -7.139 0.000 -1.486) 7.292 25.245 ( 12.899 0.000 6.272) 14.343 25.790 ( 2.352 0.000 -4.561) 5.132 28.984 ( 0.900 0.000 0.955) 1.312 29.073 ( 2.389 0.000 -3.762) 4.456 29.514 ( -0.427 0.000 3.691) 3.716 29.691 ( 1.874 0.000 -4.460) 4.838 29.768 ( -0.091 0.000 1.124) 1.128 29.846 ( -1.722 0.000 2.959) 3.423 29.864 ( -3.726 0.000 0.482) 3.757 29.945 ( 0.067 0.000 -1.230) 1.232 30.010 ( 3.380 0.000 -0.906) 3.499 30.054 ( 3.538 0.000 -2.285) 4.212 30.157 ( 3.071 0.000 0.088) 3.072 30.251 ( -1.497 0.000 4.946) 5.168 30.353 ( 1.595 0.000 5.195) 5.434 30.516 ( 0.326 0.000 -0.652) 0.729 30.789 ( -2.842 0.000 -3.730) 4.690 30.861 ( -5.628 0.000 -4.092) 6.958 30.957 ( 0.626 0.000 6.099) 6.131 31.169 ( 1.859 0.000 -0.069) 1.860 31.191 ( 1.310 0.000 8.187) 8.291 31.703 ( 1.840 0.000 7.247) 7.477 31.802 ( 0.001 0.000 -10.519) 10.519 31.932 ( -11.343 0.000 2.812) 11.687 31.995 ( 4.422 0.000 -12.442) 13.204 32.220 ( -6.954 0.000 -18.106) 19.395 32.892 ( 10.053 0.000 9.668) 13.948 33.052 ( 23.383 0.000 1.993) 23.468 33.390 ( 7.617 0.000 7.587) 10.751 33.678 ( 25.919 0.000 3.427) 26.144 34.064 ( -3.912 0.000 6.504) 7.590 34.570 ( -12.415 0.000 10.061) 15.980 34.620 ( -18.556 0.000 -10.548) 21.345 34.681 ( -21.063 0.000 -19.640) 28.799 ======================= Grid point 97 (47/80) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -6.732 19.678 30.612) 37.009 1.859 ( 7.103 11.094 37.213) 39.476 2.792 ( -4.453 37.347 33.370) 50.281 2.900 ( 6.543 3.902 -23.189) 24.409 3.087 ( 0.554 6.951 13.060) 14.805 3.290 ( -0.275 -0.189 -15.559) 15.563 3.559 ( 2.573 -1.421 -0.552) 2.991 3.751 ( -0.640 -10.446 -7.444) 12.843 3.824 ( -1.621 1.631 3.291) 4.014 3.922 ( -1.598 -6.332 -0.468) 6.547 4.008 ( 1.366 1.608 -0.299) 2.131 4.081 ( -3.243 1.469 12.747) 13.235 4.158 ( 1.048 -3.836 -3.288) 5.160 4.249 ( 0.726 -4.063 -8.508) 9.457 4.450 ( -2.964 -0.082 5.993) 6.686 4.492 ( 4.992 -8.860 0.931) 10.212 4.612 ( -3.829 -5.580 -6.125) 9.127 4.636 ( 6.039 0.393 -10.000) 11.689 4.747 ( -3.280 -5.450 -6.550) 9.130 4.908 ( -0.943 -6.513 -7.607) 10.059 5.030 ( 1.819 -2.530 -5.951) 6.717 5.108 ( 1.083 3.615 -13.922) 14.424 5.230 ( -2.431 -4.151 0.379) 4.825 5.581 ( 13.692 8.939 3.489) 16.720 5.690 ( -6.398 1.589 -1.845) 6.846 5.770 ( 5.539 5.360 1.606) 7.873 5.813 ( -7.399 0.117 2.638) 7.856 5.948 ( -5.773 -11.863 13.621) 18.963 6.060 ( -4.825 -0.655 -0.535) 4.899 6.217 ( 3.758 5.566 -8.347) 10.713 6.311 ( 2.913 5.556 -16.968) 18.091 6.498 ( -2.377 5.616 2.622) 6.638 6.559 ( -4.837 14.196 10.900) 18.540 6.688 ( 7.149 3.682 6.221) 10.167 6.855 ( 1.284 -8.309 3.407) 9.072 6.989 ( 2.849 -2.157 -3.524) 5.019 7.105 ( 0.032 5.391 0.360) 5.403 7.245 ( -0.937 -0.409 -1.338) 1.684 7.449 ( 0.886 -1.468 -4.915) 5.206 7.475 ( -4.514 -1.567 -6.783) 8.298 7.670 ( -2.559 -1.571 3.672) 4.743 7.778 ( -11.026 0.596 3.718) 11.652 7.908 ( 5.987 -4.298 8.693) 11.396 7.939 ( 3.000 -1.704 0.325) 3.465 8.041 ( 4.599 -3.246 0.566) 5.658 8.247 ( 1.354 -4.401 -5.209) 6.953 8.468 ( 5.497 0.957 0.775) 5.633 8.555 ( -7.039 4.406 0.065) 8.304 8.658 ( -12.407 0.296 3.638) 12.933 8.918 ( -8.624 -1.225 0.409) 8.720 9.256 ( 6.135 -0.704 -0.468) 6.193 9.309 ( 8.118 0.956 2.606) 8.580 9.545 ( -0.735 -0.362 -2.341) 2.481 9.602 ( 0.635 8.364 -5.698) 10.140 9.695 ( 6.730 0.682 -2.336) 7.157 9.800 ( 4.010 1.651 -5.203) 6.773 10.287 ( -2.686 3.481 4.568) 6.340 10.403 ( 0.063 -0.125 1.658) 1.664 11.075 ( 3.187 -1.454 4.613) 5.792 11.197 ( -5.498 -7.831 0.133) 9.569 11.264 ( 1.393 1.463 -0.728) 2.147 11.463 ( 2.699 -3.359 -6.610) 7.891 11.694 ( -4.655 -0.555 15.923) 16.598 12.039 ( -1.409 5.433 10.860) 12.225 12.146 ( 1.290 -3.948 -6.579) 7.780 12.534 ( -0.785 -2.414 12.182) 12.443 12.680 ( 0.670 -0.066 -0.253) 0.719 12.815 ( -1.430 -2.313 0.345) 2.741 12.955 ( 0.642 -2.218 -15.842) 16.010 13.235 ( -3.000 -5.731 -12.264) 13.866 13.541 ( 2.905 2.197 4.740) 5.978 13.833 ( 0.472 -2.926 -6.243) 6.910 13.997 ( 0.927 -4.046 -1.920) 4.574 14.078 ( -0.244 -3.291 -2.776) 4.312 14.382 ( 0.454 -0.553 -1.239) 1.431 14.471 ( -0.599 0.137 -2.556) 2.629 14.648 ( -1.168 2.686 3.145) 4.297 14.762 ( -6.565 8.998 6.637) 12.966 14.877 ( 0.415 0.923 -5.663) 5.752 14.962 ( -2.032 4.452 1.098) 5.015 15.089 ( -0.490 8.637 0.925) 8.700 15.240 ( 7.962 2.131 -3.152) 8.825 15.364 ( -1.169 -3.690 -0.010) 3.871 15.452 ( 0.239 -0.545 -3.165) 3.221 15.676 ( 8.491 -1.772 6.918) 11.095 15.891 ( -0.898 -2.231 0.170) 2.411 15.998 ( 4.028 -2.325 0.237) 4.657 16.152 ( -6.235 -1.867 -8.293) 10.542 16.362 ( 0.255 -6.877 0.678) 6.915 16.428 ( -0.172 -5.689 -2.714) 6.306 16.739 ( 0.693 1.167 0.461) 1.434 16.757 ( 0.579 -6.042 0.532) 6.093 16.983 ( -8.625 3.334 2.090) 9.480 17.129 ( -0.370 -1.141 0.584) 1.335 17.603 ( 0.569 -6.701 5.620) 8.764 17.773 ( -5.676 5.234 10.854) 13.319 17.893 ( 2.655 -1.578 1.676) 3.514 18.322 ( 8.629 4.386 -6.735) 11.792 18.426 ( 10.415 1.310 5.443) 11.824 18.808 ( -13.781 -7.741 -14.341) 21.343 20.596 ( -4.374 1.501 0.327) 4.636 20.778 ( 0.920 5.336 -9.583) 11.007 21.193 ( 0.180 -4.894 8.006) 9.385 21.409 ( 2.877 -2.461 0.441) 3.811 21.723 ( -3.156 4.475 1.266) 5.620 21.789 ( 8.944 0.709 0.929) 9.020 21.904 ( 5.495 5.737 9.432) 12.331 22.092 ( -3.542 6.625 0.837) 7.559 22.320 ( 0.447 -1.388 1.304) 1.956 22.465 ( 2.415 -1.406 -1.165) 3.027 22.567 ( -4.368 6.069 -7.087) 10.303 22.583 ( -2.543 1.031 -4.281) 5.085 22.861 ( -3.087 -0.761 6.190) 6.959 23.103 ( 1.076 -7.488 -5.367) 9.275 23.405 ( 1.893 -1.321 1.414) 2.707 23.463 ( 2.664 -1.665 0.591) 3.196 23.535 ( 1.449 -0.977 2.282) 2.875 23.587 ( -1.038 3.814 0.137) 3.955 24.082 ( 1.856 6.781 11.543) 13.515 24.387 ( 3.624 -2.090 3.466) 5.433 24.466 ( -2.024 -1.047 -1.169) 2.561 24.593 ( -1.457 5.234 -10.067) 11.439 25.447 ( 5.395 -0.639 5.896) 8.017 25.696 ( -5.798 -4.511 -5.192) 8.996 29.110 ( 0.874 9.058 -2.741) 9.504 29.119 ( -0.250 2.548 -2.795) 3.790 29.536 ( -1.351 3.929 4.247) 5.941 29.694 ( -4.403 0.342 -1.834) 4.782 29.735 ( 3.384 -5.345 1.299) 6.458 29.780 ( 1.752 -3.475 -1.339) 4.115 29.876 ( 2.879 0.266 -0.303) 2.907 29.919 ( -1.479 -0.725 -0.986) 1.920 30.062 ( 0.417 1.351 1.660) 2.181 30.126 ( 0.450 0.674 -1.149) 1.406 30.184 ( -3.518 0.470 3.065) 4.689 30.246 ( 2.289 1.270 0.184) 2.624 30.449 ( 3.296 2.539 3.657) 5.539 30.516 ( -0.796 1.905 -1.439) 2.517 30.675 ( -9.821 1.843 2.016) 10.193 30.749 ( 0.877 -1.781 -2.439) 3.144 30.993 ( 0.194 -2.192 6.115) 6.499 31.155 ( -5.838 1.123 0.772) 5.995 31.198 ( 1.205 0.658 7.081) 7.213 31.622 ( -4.653 -1.996 0.711) 5.112 31.761 ( -2.679 1.898 1.675) 3.686 31.887 ( 3.943 3.902 -3.635) 6.632 32.068 ( -2.727 -0.075 -10.582) 10.928 32.141 ( 2.061 4.399 -9.991) 11.109 32.823 ( 0.968 -15.079 13.876) 20.515 33.212 ( 3.075 -16.072 -3.409) 16.715 33.706 ( 9.277 6.469 5.831) 12.725 33.946 ( -7.333 -2.556 1.574) 7.923 34.135 ( -17.546 3.974 -5.435) 18.794 34.256 ( -2.377 -1.109 -4.605) 5.299 34.349 ( -4.360 3.400 1.349) 5.691 34.534 ( 24.935 0.608 -6.031) 25.661 ======================= Grid point 98 (48/80) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 15.118 22.757 20.333) 34.057 2.109 ( 11.953 22.910 24.748) 35.780 2.947 ( 12.678 8.450 4.214) 15.808 3.077 ( 4.946 2.952 4.130) 7.088 3.256 ( 4.266 5.725 -7.317) 10.223 3.293 ( 13.904 6.302 3.227) 15.603 3.606 ( 0.719 -1.123 0.386) 1.388 3.708 ( -7.056 -2.507 0.069) 7.488 3.766 ( 0.944 -7.192 -2.584) 7.700 3.898 ( 2.876 1.004 4.029) 5.051 3.955 ( -3.867 -4.982 8.228) 10.367 3.990 ( -4.609 2.022 -6.873) 8.519 4.140 ( -0.729 -1.416 -0.963) 1.861 4.250 ( -1.887 4.766 -1.740) 5.413 4.325 ( -6.762 -5.012 0.793) 8.454 4.500 ( -3.587 -5.063 -2.673) 6.756 4.568 ( 1.781 3.580 3.086) 5.051 4.751 ( -0.685 6.606 -4.975) 8.298 4.777 ( 5.858 -2.737 3.906) 7.554 4.990 ( 8.465 -12.348 -16.638) 22.382 5.050 ( -2.354 -1.078 -6.065) 6.595 5.180 ( 6.622 -0.467 -13.851) 15.359 5.309 ( 7.046 -7.314 3.429) 10.719 5.509 ( -6.395 5.899 -7.747) 11.649 5.627 ( -8.026 -0.652 6.871) 10.585 5.690 ( -6.040 -1.461 4.916) 7.923 5.869 ( -1.973 1.550 5.221) 5.792 5.973 ( 3.116 0.969 4.051) 5.202 6.005 ( 3.565 1.451 2.972) 4.863 6.198 ( -2.739 -4.447 -12.835) 13.857 6.357 ( -1.879 4.918 -3.454) 6.297 6.445 ( 2.847 2.057 -3.693) 5.097 6.549 ( 5.576 13.527 3.706) 15.093 6.710 ( -5.612 8.052 4.280) 10.707 6.897 ( -6.681 3.427 -6.652) 10.032 6.972 ( 3.292 -0.780 -2.058) 3.960 7.095 ( 0.899 -2.117 10.695) 10.939 7.171 ( -5.466 -2.593 -7.714) 9.803 7.290 ( -6.743 1.073 3.174) 7.530 7.335 ( -3.459 1.071 -2.121) 4.196 7.499 ( -10.557 -12.422 6.247) 17.458 7.806 ( 5.156 -2.470 -1.339) 5.872 7.917 ( -1.644 -1.630 3.752) 4.408 8.068 ( 4.435 -4.238 1.515) 6.318 8.081 ( -14.811 -1.191 5.575) 15.871 8.260 ( -3.597 3.269 2.793) 5.607 8.375 ( 8.314 -8.517 -7.135) 13.877 8.563 ( -8.483 1.261 -5.651) 10.270 8.605 ( -2.601 4.568 -3.130) 6.118 8.727 ( 10.924 -2.764 6.385) 12.951 9.241 ( -6.334 -0.700 -0.676) 6.408 9.369 ( 2.452 9.881 7.886) 12.877 9.591 ( 1.432 1.811 -8.511) 8.819 9.681 ( 0.215 -0.576 4.022) 4.069 9.833 ( 5.607 2.425 -7.499) 9.672 9.911 ( 3.017 1.327 -4.989) 5.979 10.286 ( 2.565 2.013 2.943) 4.393 10.480 ( 8.194 0.654 1.923) 8.443 11.062 ( -2.440 2.425 7.859) 8.579 11.164 ( 0.859 -5.094 -0.463) 5.187 11.290 ( 2.481 0.258 -4.165) 4.855 11.476 ( -4.357 -2.250 7.777) 9.194 11.652 ( 3.519 -1.440 4.567) 5.942 12.036 ( 0.757 -1.916 2.458) 3.207 12.194 ( 3.487 0.916 -2.485) 4.379 12.510 ( -2.542 -4.030 14.486) 15.250 12.639 ( -4.181 -0.614 1.816) 4.600 12.796 ( 0.122 -1.861 2.406) 3.044 12.971 ( 1.847 -2.603 -16.659) 16.962 13.167 ( -3.187 -3.234 -12.866) 13.644 13.694 ( 10.426 -0.537 8.101) 13.214 13.938 ( 8.690 -1.339 -10.314) 13.553 14.029 ( 1.933 -5.213 -1.064) 5.661 14.130 ( 4.624 -5.465 -3.601) 8.014 14.406 ( 2.078 3.912 -1.250) 4.603 14.470 ( -0.173 0.050 0.111) 0.211 14.600 ( -4.228 4.156 3.672) 6.974 14.664 ( -0.994 6.779 2.486) 7.288 14.851 ( -2.874 1.045 -3.479) 4.632 14.923 ( -1.884 5.110 -1.302) 5.600 15.058 ( -3.564 4.139 -0.191) 5.465 15.286 ( -3.484 1.037 0.942) 3.755 15.401 ( -5.152 0.680 -3.867) 6.477 15.417 ( 5.841 -1.787 -3.759) 7.172 15.833 ( -4.031 -2.659 3.414) 5.914 15.872 ( 8.125 -3.767 5.246) 10.379 16.013 ( -1.464 -0.901 -5.192) 5.469 16.153 ( 6.610 -0.545 -6.134) 9.034 16.337 ( 0.353 -3.022 -1.197) 3.270 16.470 ( 1.864 -5.236 0.066) 5.558 16.684 ( -3.986 -2.310 -0.499) 4.634 16.757 ( -11.121 -0.671 5.304) 12.339 16.804 ( 1.866 -5.684 -0.727) 6.026 17.029 ( -7.274 -5.964 6.058) 11.188 17.518 ( -16.448 6.118 11.067) 20.747 17.595 ( -2.487 -1.163 0.076) 2.746 17.975 ( 3.791 -5.021 0.748) 6.336 18.337 ( -8.274 0.737 0.995) 8.367 18.653 ( 10.323 1.039 4.572) 11.338 18.737 ( 7.939 -1.432 -14.694) 16.763 20.529 ( -0.439 4.143 1.968) 4.608 20.863 ( 5.303 4.404 -4.240) 8.093 21.216 ( 1.532 -4.005 4.017) 5.876 21.474 ( 3.790 3.047 1.041) 4.973 21.647 ( -3.080 3.634 1.806) 5.094 21.857 ( -0.953 3.452 -2.717) 4.496 21.998 ( 1.103 -0.245 1.804) 2.129 22.102 ( 3.782 8.608 3.552) 10.051 22.313 ( -0.190 -0.052 2.934) 2.941 22.480 ( 0.916 -1.494 -3.371) 3.799 22.595 ( 3.525 2.452 -0.996) 4.408 22.680 ( 7.679 -2.679 -4.579) 9.333 22.827 ( 0.032 2.338 1.298) 2.674 23.146 ( 3.501 -5.607 -1.051) 6.693 23.372 ( -2.530 0.832 2.405) 3.589 23.502 ( -1.200 6.461 0.709) 6.609 23.549 ( 0.854 -2.812 -2.433) 3.815 23.636 ( 4.161 0.397 0.505) 4.210 24.100 ( -1.044 0.489 7.841) 7.925 24.401 ( -3.515 -0.747 -2.258) 4.244 24.446 ( -1.953 -0.285 -1.426) 2.435 24.616 ( 8.748 -0.827 -5.380) 10.303 25.450 ( -7.461 -3.244 2.884) 8.632 25.516 ( -7.559 -1.361 -1.545) 7.835 29.076 ( -2.933 3.150 -1.727) 4.638 29.112 ( -0.944 8.579 -3.179) 9.197 29.514 ( -0.374 1.652 3.792) 4.153 29.603 ( -3.509 -0.353 -1.070) 3.686 29.780 ( 0.049 -4.126 0.848) 4.213 29.821 ( 0.537 -2.869 0.669) 2.995 29.876 ( 0.432 -0.750 -3.002) 3.125 29.960 ( 2.063 -2.699 -0.441) 3.426 30.038 ( -2.091 2.732 0.843) 3.542 30.092 ( -1.951 1.423 -0.781) 2.538 30.124 ( -1.238 1.081 2.624) 3.096 30.288 ( 1.078 -0.586 3.346) 3.564 30.466 ( -1.715 2.379 -1.609) 3.346 30.483 ( -6.856 4.581 5.890) 10.133 30.553 ( 4.346 2.358 4.260) 6.527 30.793 ( 3.168 -2.069 -2.051) 4.303 30.950 ( -1.932 -3.855 6.460) 7.767 31.127 ( 1.713 0.517 4.393) 4.744 31.252 ( 3.635 5.801 4.503) 8.194 31.542 ( -2.548 0.800 6.735) 7.245 31.728 ( -0.820 1.184 0.758) 1.627 31.846 ( -4.754 4.048 -9.008) 10.960 32.091 ( 2.200 2.383 -6.061) 6.874 32.219 ( 4.699 -0.312 -9.863) 10.929 32.769 ( -4.544 -9.849 8.639) 13.867 33.090 ( -12.299 -15.283 -5.822) 20.463 33.539 ( -18.649 3.742 2.834) 19.231 33.707 ( -12.677 3.474 2.967) 13.475 34.013 ( 5.374 2.177 8.311) 10.133 34.349 ( 11.017 -3.290 4.045) 12.188 34.483 ( 12.280 5.187 -8.506) 15.813 35.085 ( 19.188 -6.656 -16.781) 26.345 ======================= Grid point 99 (49/80) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 24.649 17.102 5.708) 30.539 2.389 ( 13.673 21.937 7.788) 26.997 2.953 ( -14.325 3.948 12.283) 19.278 3.118 ( 0.140 -1.508 -18.485) 18.547 3.280 ( 2.622 -6.898 0.485) 7.395 3.463 ( -4.003 -3.410 6.637) 8.467 3.579 ( 0.544 -2.219 -2.931) 3.717 3.695 ( -6.824 0.068 -0.641) 6.855 3.791 ( 3.428 4.573 -0.863) 5.780 3.852 ( -4.902 -4.854 -1.372) 7.033 3.998 ( -5.677 5.853 -6.029) 10.141 4.097 ( 1.047 2.884 -7.130) 7.762 4.183 ( 18.595 1.569 1.322) 18.708 4.200 ( 13.361 7.787 16.618) 22.701 4.354 ( 8.237 5.199 9.645) 13.708 4.513 ( 1.039 -8.729 -0.519) 8.805 4.550 ( 2.606 8.471 1.629) 9.011 4.781 ( 2.890 2.338 -2.709) 4.599 4.898 ( 0.854 1.541 -1.561) 2.354 4.928 ( 1.758 2.984 3.492) 4.919 5.132 ( -2.151 -7.931 -9.552) 12.601 5.246 ( -7.792 -4.035 3.686) 9.517 5.310 ( 0.293 -1.507 -4.860) 5.097 5.433 ( -3.721 4.362 -12.647) 13.886 5.495 ( -6.037 0.737 2.917) 6.745 5.667 ( 2.496 0.622 -1.545) 3.001 5.735 ( 3.627 -0.508 4.526) 5.822 5.888 ( -11.205 1.928 -0.492) 11.380 6.103 ( -1.392 1.813 -4.454) 5.006 6.205 ( 3.915 -4.276 -1.960) 6.120 6.305 ( -13.420 3.755 3.855) 14.459 6.428 ( 3.541 -0.261 -1.749) 3.958 6.605 ( 4.870 1.114 -0.242) 5.001 6.704 ( 1.618 -2.994 -1.337) 3.657 6.868 ( 5.180 4.818 -2.442) 7.484 6.992 ( -5.920 -2.139 -0.532) 6.317 7.069 ( 2.668 0.771 -8.224) 8.680 7.202 ( 7.425 -1.295 4.566) 8.813 7.230 ( -1.407 -0.616 8.533) 8.670 7.255 ( -9.764 -11.489 2.543) 15.290 7.339 ( 1.898 1.828 -1.591) 3.078 7.694 ( -13.149 4.820 5.000) 14.870 7.737 ( -8.561 -1.140 1.072) 8.703 7.896 ( -4.866 -0.803 0.567) 4.964 8.183 ( -0.225 -1.536 1.264) 2.002 8.288 ( 9.069 -1.414 -5.232) 10.565 8.310 ( -5.657 0.312 2.115) 6.047 8.559 ( 5.964 -11.004 -9.307) 15.597 8.604 ( -1.065 4.856 1.941) 5.337 8.948 ( 0.825 -0.910 2.727) 2.991 9.128 ( 2.277 -2.618 -5.998) 6.929 9.442 ( 0.498 -0.032 6.943) 6.961 9.578 ( -0.614 6.326 -4.738) 7.928 9.633 ( -2.431 1.018 6.673) 7.175 9.859 ( -4.263 2.458 -0.540) 4.950 9.911 ( 0.739 3.214 -8.783) 9.382 10.376 ( 5.145 4.835 3.334) 7.808 10.649 ( 4.506 -0.776 -1.400) 4.782 11.014 ( -1.686 2.154 8.344) 8.781 11.165 ( -2.541 -0.083 10.746) 11.043 11.299 ( -2.650 -0.640 6.442) 6.995 11.513 ( 9.873 -5.368 -9.869) 14.956 11.747 ( 4.082 2.151 3.189) 5.609 12.074 ( 2.282 -5.010 -6.346) 8.401 12.287 ( 4.897 -0.089 2.588) 5.540 12.413 ( -6.057 -4.646 14.364) 16.266 12.545 ( -3.502 0.960 2.690) 4.520 12.803 ( -0.635 -2.200 4.373) 4.937 13.055 ( 6.183 -3.967 -15.824) 17.446 13.094 ( -3.166 -1.665 -15.278) 15.691 13.930 ( 8.970 -3.189 10.689) 14.314 14.048 ( 1.478 -3.803 1.521) 4.354 14.174 ( 10.116 -0.861 -10.783) 14.811 14.218 ( 2.318 -2.535 -1.408) 3.713 14.445 ( 1.533 7.532 -1.203) 7.780 14.473 ( -0.787 0.265 3.264) 3.368 14.508 ( -1.861 4.401 0.898) 4.862 14.703 ( 4.190 4.389 -2.085) 6.416 14.758 ( -4.914 -1.039 -1.485) 5.237 14.873 ( -5.361 -0.513 -2.367) 5.883 14.934 ( -2.915 0.632 -5.512) 6.267 15.184 ( -8.622 8.654 -5.023) 13.208 15.344 ( 2.600 -0.904 1.053) 2.947 15.461 ( -1.047 -1.796 -3.617) 4.173 15.748 ( -2.814 -4.027 3.402) 5.975 15.913 ( -5.439 0.938 -2.553) 6.081 16.087 ( 8.458 -3.596 3.675) 9.898 16.288 ( 5.236 1.061 -2.435) 5.871 16.402 ( 0.701 0.797 -0.599) 1.218 16.474 ( -2.327 3.215 3.270) 5.142 16.527 ( -9.257 -2.658 6.719) 11.743 16.662 ( 7.313 -6.576 -4.399) 10.774 16.810 ( -3.875 -6.408 -0.830) 7.534 16.926 ( -0.406 -7.630 7.006) 10.367 17.151 ( -13.295 -1.611 5.470) 14.467 17.488 ( -7.680 -4.507 -0.505) 8.919 18.041 ( 1.994 -4.760 5.176) 7.309 18.143 ( -8.324 -2.270 3.302) 9.238 18.853 ( 5.269 5.392 4.590) 8.826 18.936 ( 10.717 1.810 -13.770) 17.543 20.596 ( 6.367 5.792 5.198) 10.055 20.952 ( 2.433 5.987 1.377) 6.608 21.238 ( 0.094 0.963 -0.982) 1.378 21.578 ( -3.822 2.489 -2.408) 5.157 21.595 ( 6.889 2.609 -0.728) 7.402 21.780 ( -5.586 3.976 -1.905) 7.116 22.046 ( 3.024 -4.799 -0.289) 5.679 22.139 ( 0.666 2.373 -0.312) 2.484 22.284 ( -3.572 2.309 5.238) 6.747 22.517 ( 0.993 3.748 -4.010) 5.578 22.627 ( -0.445 2.226 3.118) 3.856 22.789 ( 3.902 -1.549 6.953) 8.122 22.896 ( 4.880 0.854 -8.668) 9.984 23.208 ( -0.680 -8.657 -2.207) 8.960 23.321 ( 0.438 4.192 7.246) 8.383 23.523 ( 3.753 5.496 -0.076) 6.656 23.563 ( -0.240 1.005 2.063) 2.308 23.743 ( 5.976 -0.133 -1.464) 6.155 24.050 ( -2.918 2.776 7.868) 8.839 24.338 ( -2.405 2.118 -5.797) 6.624 24.367 ( -1.462 -1.401 -5.638) 5.990 24.842 ( 4.495 -5.942 -5.583) 9.311 25.224 ( -6.630 -5.112 -1.327) 8.477 25.371 ( -7.784 -2.231 4.794) 9.410 29.016 ( -2.128 3.312 -0.043) 3.937 29.083 ( -1.348 6.849 -3.370) 7.751 29.509 ( -0.460 -0.905 2.759) 2.940 29.558 ( -0.591 -1.139 -1.278) 1.811 29.775 ( 0.343 -2.962 0.556) 3.033 29.810 ( -1.067 -1.316 1.226) 2.091 29.880 ( -1.055 -1.493 -1.257) 2.218 29.942 ( -2.108 -1.699 -1.044) 2.902 29.994 ( -0.325 1.616 2.964) 3.392 30.090 ( -0.296 2.062 -1.440) 2.533 30.183 ( 5.955 -1.183 -0.568) 6.098 30.264 ( -3.346 -3.101 5.725) 7.320 30.384 ( -3.460 6.170 5.754) 9.118 30.438 ( 0.254 5.171 -4.176) 6.652 30.650 ( 4.086 1.281 6.367) 7.673 30.866 ( 2.750 -3.033 -1.572) 4.386 30.960 ( 2.670 -1.479 5.403) 6.205 31.159 ( 0.807 2.657 2.475) 3.720 31.324 ( 2.394 6.883 8.179) 10.955 31.503 ( -1.783 0.226 6.255) 6.508 31.688 ( -2.659 2.172 -6.280) 7.157 31.834 ( 4.803 -1.089 -1.308) 5.095 32.095 ( -2.039 -0.229 -10.422) 10.622 32.297 ( 2.676 0.503 -6.524) 7.070 32.650 ( -6.696 -5.672 -0.656) 8.800 32.840 ( -8.653 -5.485 -3.014) 10.679 33.230 ( -9.795 -0.212 5.328) 11.153 33.420 ( -11.428 -0.380 -1.251) 11.503 34.169 ( 6.311 2.410 13.434) 15.037 34.583 ( 9.534 -3.922 8.320) 13.248 34.757 ( 11.859 3.527 -14.572) 19.116 35.307 ( 2.709 -6.275 -15.985) 17.385 ======================= Grid point 100 (50/80) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -17.886 7.251 3.779) 19.666 2.684 ( 8.009 14.515 -6.510) 17.810 2.768 ( 15.398 1.852 4.447) 16.134 3.113 ( -3.561 -1.498 -2.373) 4.534 3.259 ( -2.074 -4.113 5.106) 6.877 3.413 ( -6.321 3.714 4.843) 8.786 3.451 ( -7.220 0.988 -5.282) 9.000 3.630 ( -2.343 5.694 -0.631) 6.189 3.672 ( -1.129 -3.256 1.282) 3.677 3.847 ( 3.946 11.759 3.952) 13.018 3.919 ( 1.459 2.068 9.701) 10.026 4.141 ( 0.940 4.087 -11.861) 12.580 4.343 ( -2.180 1.134 1.902) 3.108 4.381 ( -1.314 -3.033 -0.386) 3.328 4.510 ( 4.454 3.024 -2.762) 6.051 4.665 ( 4.316 -4.501 1.730) 6.471 4.745 ( 0.463 -3.129 -3.256) 4.539 4.815 ( -6.222 -2.259 6.482) 9.265 4.886 ( 0.572 6.184 -1.692) 6.437 5.025 ( 11.482 1.984 -5.505) 12.887 5.073 ( 1.667 10.257 3.717) 11.036 5.169 ( -3.677 -1.421 -8.673) 9.526 5.222 ( -2.767 -2.671 -4.098) 5.620 5.331 ( -0.476 5.254 5.140) 7.366 5.392 ( -1.885 2.159 7.413) 7.948 5.638 ( 4.192 -1.919 -4.703) 6.586 5.819 ( 5.294 3.525 -8.650) 10.737 5.902 ( 1.007 -3.795 -10.537) 11.245 5.971 ( -4.676 2.493 10.081) 11.389 6.101 ( -1.576 -0.317 9.353) 9.490 6.309 ( 2.689 -1.065 1.754) 3.382 6.509 ( 0.112 1.499 -2.461) 2.883 6.608 ( -4.064 -11.081 -0.580) 11.817 6.661 ( -1.105 0.812 -8.689) 8.797 6.874 ( -10.232 -5.854 5.314) 12.930 6.997 ( -1.367 -5.321 5.122) 7.511 7.043 ( 2.773 -1.747 -0.967) 3.417 7.132 ( 1.780 -0.099 1.371) 2.248 7.237 ( 0.334 0.596 -1.841) 1.964 7.368 ( 0.628 4.197 -2.030) 4.705 7.460 ( 10.619 4.238 -2.646) 11.736 7.515 ( -8.546 5.228 8.208) 12.951 7.595 ( 6.204 -2.180 -4.194) 7.800 7.813 ( -2.392 -3.534 2.146) 4.776 8.183 ( 0.976 -2.154 -0.158) 2.370 8.267 ( 0.788 8.493 3.489) 9.215 8.486 ( 7.312 -5.274 -1.140) 9.087 8.543 ( -3.085 -2.105 0.051) 3.735 8.625 ( -1.340 -3.765 -5.272) 6.615 8.890 ( 0.690 -6.099 -13.954) 15.245 9.265 ( 5.514 -5.921 3.152) 8.683 9.334 ( -8.084 -4.960 1.312) 9.574 9.592 ( -0.526 8.819 2.569) 9.201 9.627 ( 1.825 5.860 4.050) 7.354 9.760 ( -3.589 5.054 0.538) 6.222 9.926 ( 0.373 0.614 -7.069) 7.106 10.469 ( 2.843 2.462 3.301) 5.004 10.664 ( -1.807 1.286 -1.484) 2.668 10.974 ( -5.604 -1.131 16.870) 17.812 11.079 ( -1.534 4.416 8.467) 9.672 11.298 ( 2.483 1.073 -4.997) 5.683 11.635 ( -0.534 -7.209 4.572) 8.553 11.880 ( 7.637 -1.505 -7.067) 10.513 12.074 ( -2.995 -0.815 -6.716) 7.398 12.265 ( -4.691 -4.114 14.460) 15.748 12.411 ( 3.294 -4.049 3.147) 6.095 12.553 ( 5.122 3.211 4.080) 7.293 12.745 ( -3.942 -0.924 2.786) 4.915 13.014 ( -3.399 -0.369 -18.247) 18.565 13.223 ( 7.935 -6.876 -14.381) 17.806 13.949 ( -6.041 -0.324 8.296) 10.268 14.069 ( -3.249 -3.307 7.013) 8.406 14.218 ( -0.718 1.793 -1.485) 2.437 14.298 ( 1.975 -5.969 -1.516) 6.467 14.404 ( -5.468 4.205 1.397) 7.038 14.525 ( 2.990 9.267 -0.913) 9.780 14.567 ( 7.630 2.767 -1.798) 8.313 14.693 ( -1.313 -4.004 -2.833) 5.077 14.733 ( 2.403 -3.041 -5.082) 6.391 14.866 ( -0.603 3.146 -2.402) 4.004 14.924 ( 5.160 4.909 -4.234) 8.285 15.054 ( -1.324 1.009 -11.781) 11.898 15.342 ( -4.485 -1.381 2.748) 5.438 15.457 ( 1.558 -0.622 -2.096) 2.684 15.709 ( -1.863 -0.188 3.123) 3.641 15.825 ( -0.001 1.695 -1.793) 2.467 16.176 ( -4.999 -1.092 4.723) 6.964 16.237 ( -10.259 1.200 4.314) 11.194 16.348 ( -0.754 2.813 -0.327) 2.931 16.449 ( 4.529 -5.316 6.443) 9.502 16.503 ( 4.097 -0.004 7.513) 8.557 16.683 ( -1.790 2.452 2.657) 4.035 16.823 ( -1.805 0.704 -5.847) 6.159 17.030 ( 16.415 -9.270 -7.521) 20.297 17.158 ( 8.698 -17.209 5.293) 19.996 17.293 ( -8.694 -6.184 -3.193) 11.137 17.968 ( -7.363 -2.730 9.761) 12.527 18.066 ( -0.974 -2.796 6.812) 7.427 18.870 ( -3.577 7.383 -1.014) 8.266 19.136 ( 7.397 2.139 -10.911) 13.354 20.767 ( 7.682 3.305 8.426) 11.872 20.957 ( -1.581 8.572 2.076) 8.961 21.218 ( -1.493 3.544 -1.813) 4.252 21.463 ( -6.373 1.620 -6.655) 9.356 21.618 ( -6.863 0.814 0.249) 6.915 21.764 ( 5.722 2.305 -2.884) 6.809 22.101 ( -2.513 -1.123 0.872) 2.887 22.115 ( 0.043 -7.258 -0.574) 7.280 22.201 ( -2.311 9.807 6.438) 11.957 22.542 ( 2.990 2.883 -8.595) 9.546 22.576 ( -4.058 2.073 8.160) 9.346 22.900 ( 5.438 -0.286 8.350) 9.968 22.955 ( 0.477 2.122 -5.231) 5.666 23.144 ( -3.089 -6.641 -4.188) 8.437 23.381 ( 3.149 2.014 6.545) 7.537 23.545 ( -0.896 4.705 0.882) 4.870 23.640 ( 5.486 1.136 2.271) 6.045 23.790 ( -2.679 -3.829 -2.231) 5.179 23.995 ( -2.222 4.768 7.237) 8.947 24.297 ( -0.733 -2.633 -7.150) 7.654 24.488 ( 10.068 1.306 -1.858) 10.321 24.653 ( -12.839 3.543 -9.941) 16.620 25.123 ( -9.938 -5.324 8.803) 14.304 25.382 ( 10.273 -7.711 -2.576) 13.101 28.994 ( 0.126 3.247 0.365) 3.270 29.065 ( -0.136 6.018 -3.593) 7.010 29.501 ( -0.093 -1.814 2.154) 2.817 29.572 ( 1.663 -2.365 -1.734) 3.371 29.786 ( -1.004 -1.230 0.797) 1.777 29.796 ( 1.566 -2.187 0.577) 2.751 29.853 ( -0.557 -1.387 -0.118) 1.499 29.915 ( -0.755 -1.496 -1.199) 2.060 30.020 ( 1.124 0.289 1.749) 2.099 30.070 ( -0.056 2.376 -0.551) 2.440 30.179 ( -3.812 -1.689 3.111) 5.202 30.291 ( -2.257 4.333 7.071) 8.595 30.319 ( 2.688 0.757 -1.617) 3.227 30.484 ( 3.071 5.325 -2.390) 6.596 30.713 ( 1.513 -1.538 5.223) 5.651 30.905 ( 1.465 -1.128 -0.965) 2.086 31.029 ( 2.512 -0.281 4.282) 4.972 31.155 ( -1.288 4.518 1.002) 4.803 31.342 ( -1.844 5.732 9.572) 11.308 31.492 ( 2.670 0.977 7.059) 7.610 31.682 ( 2.740 0.951 -7.122) 7.690 31.976 ( 6.200 -5.855 -1.421) 8.645 32.014 ( -3.358 -2.198 -11.304) 11.996 32.311 ( -2.814 -3.534 -10.923) 11.821 32.579 ( 3.116 1.166 2.117) 3.944 32.690 ( -6.222 3.552 -3.144) 7.824 33.143 ( 1.251 -3.034 4.996) 5.977 33.252 ( -3.810 -3.926 -0.144) 5.473 34.248 ( 0.696 3.561 13.221) 13.709 34.729 ( 3.402 -4.331 10.671) 12.009 34.941 ( 4.911 0.898 -19.044) 19.687 35.239 ( -7.996 -4.025 -12.636) 15.485 ======================= Grid point 101 (51/80) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -20.567 12.439 16.610) 29.217 2.694 ( -24.914 6.540 19.781) 32.478 2.792 ( 1.973 7.620 -18.348) 19.965 3.125 ( 9.502 -4.897 -9.999) 14.638 3.239 ( -3.944 1.851 5.212) 6.793 3.383 ( 2.814 0.702 -2.406) 3.769 3.501 ( 14.355 0.330 3.897) 14.878 3.615 ( 2.422 -1.546 -1.420) 3.205 3.754 ( 3.618 1.945 3.054) 5.119 3.920 ( -6.398 2.599 12.034) 13.874 3.975 ( 3.121 11.910 -3.098) 12.696 4.124 ( -3.797 7.081 -4.385) 9.153 4.174 ( -17.798 19.159 13.286) 29.332 4.285 ( -7.409 2.463 10.248) 12.883 4.348 ( -0.761 -2.297 -1.759) 2.991 4.418 ( -12.334 -0.801 -11.045) 16.575 4.692 ( 0.222 -9.549 1.786) 9.717 4.796 ( -0.467 -6.014 -7.249) 9.430 4.912 ( 1.739 -0.616 -5.145) 5.465 5.047 ( -2.587 -4.229 -7.194) 8.737 5.104 ( -1.480 6.725 -0.484) 6.903 5.185 ( -2.547 -7.509 -6.260) 10.102 5.255 ( 3.629 -3.885 1.084) 5.426 5.387 ( 1.796 -2.169 6.082) 6.703 5.552 ( 6.104 -1.103 -2.879) 6.838 5.748 ( -1.491 -2.343 -2.067) 3.462 5.824 ( 5.540 0.778 4.188) 6.988 6.008 ( 4.596 6.224 -9.551) 12.292 6.059 ( 16.236 6.007 -6.604) 18.528 6.195 ( 7.242 1.680 10.052) 12.503 6.316 ( -5.262 3.099 3.469) 7.023 6.425 ( -3.221 -0.998 -2.019) 3.931 6.492 ( -5.224 -5.681 0.733) 7.752 6.653 ( -7.096 0.763 -7.033) 10.020 6.699 ( 4.162 -2.722 0.867) 5.048 6.922 ( -6.893 0.718 1.529) 7.097 7.084 ( 1.252 0.851 1.987) 2.498 7.142 ( 4.917 2.948 3.549) 6.743 7.257 ( -2.681 2.135 1.375) 3.693 7.403 ( 3.230 -2.429 1.680) 4.377 7.452 ( 3.610 2.110 1.916) 4.599 7.620 ( 5.227 5.440 -2.598) 7.979 7.762 ( 1.654 -6.661 0.633) 6.893 7.964 ( 18.237 -2.042 -2.497) 18.520 8.160 ( -2.119 -10.328 1.855) 10.705 8.306 ( 2.916 10.139 -0.574) 10.565 8.472 ( -2.865 -10.363 -3.571) 11.330 8.582 ( -3.247 -1.367 -9.584) 10.210 8.633 ( 5.995 4.010 -3.105) 7.852 8.981 ( 6.635 -6.643 -1.733) 9.547 9.122 ( -11.468 0.544 1.294) 11.554 9.303 ( -1.923 -2.013 4.500) 5.292 9.568 ( -0.159 3.727 2.402) 4.437 9.665 ( -0.611 3.489 4.955) 6.090 9.722 ( 0.490 4.994 -0.193) 5.021 9.896 ( -4.032 2.277 -3.381) 5.733 10.483 ( -2.207 -5.347 -2.870) 6.458 10.613 ( -5.125 3.345 4.221) 7.435 10.804 ( -3.306 0.800 13.047) 13.483 11.130 ( 3.914 4.260 0.664) 5.824 11.375 ( 3.716 1.688 -6.133) 7.367 11.552 ( -6.403 -8.740 7.863) 13.387 11.883 ( -6.291 0.912 3.056) 7.054 12.068 ( 3.067 -7.921 -8.802) 12.232 12.187 ( -3.744 2.537 13.416) 14.157 12.496 ( 4.822 -1.027 2.019) 5.327 12.610 ( -1.197 2.474 7.094) 7.608 12.757 ( 5.044 -3.252 -2.039) 6.338 12.951 ( -1.790 -0.500 -20.355) 20.440 13.328 ( 1.307 -9.243 -11.341) 14.689 13.754 ( -10.265 2.799 5.387) 11.925 13.960 ( -5.121 -4.373 4.335) 8.009 14.162 ( -3.634 2.393 2.223) 4.886 14.230 ( -8.983 2.278 -0.600) 9.287 14.350 ( 1.929 -3.455 -1.843) 4.365 14.567 ( -0.251 7.012 2.506) 7.450 14.684 ( 2.433 -1.882 -3.961) 5.015 14.736 ( 5.514 0.683 -5.769) 8.010 14.812 ( -1.101 0.563 -5.707) 5.839 14.872 ( 6.177 0.756 -4.477) 7.666 14.994 ( 2.964 2.159 -7.483) 8.333 15.183 ( 8.765 2.524 -1.181) 9.197 15.233 ( -2.784 -0.664 3.919) 4.853 15.461 ( -2.654 1.120 -3.168) 4.282 15.708 ( 1.426 -0.215 6.052) 6.221 15.786 ( -7.458 -0.246 3.274) 8.149 16.003 ( -2.381 3.169 1.505) 4.240 16.149 ( 1.379 -0.139 3.635) 3.890 16.286 ( -4.130 1.543 0.750) 4.472 16.583 ( 5.573 -4.004 4.857) 8.407 16.638 ( 6.709 -6.154 3.883) 9.897 16.727 ( 1.464 -2.937 -3.350) 4.690 16.842 ( 4.324 3.104 -6.386) 8.313 17.068 ( -3.880 -8.461 0.715) 9.336 17.361 ( 10.487 -13.403 6.120) 18.085 17.509 ( 19.812 -3.975 -10.472) 22.759 17.829 ( -4.580 -2.106 12.207) 13.207 18.010 ( -4.217 -1.123 8.534) 9.585 18.707 ( -11.053 10.180 -3.084) 15.340 19.222 ( 0.004 -1.570 -9.961) 10.084 20.775 ( -5.814 5.480 -1.411) 8.113 20.972 ( 0.210 2.511 3.002) 3.919 21.205 ( 0.924 3.081 6.034) 6.838 21.343 ( -3.107 0.542 -2.919) 4.297 21.488 ( -4.035 -0.731 1.245) 4.286 21.832 ( 0.275 2.602 -1.643) 3.090 21.977 ( -6.024 7.570 5.424) 11.091 22.110 ( -0.506 3.322 -0.229) 3.368 22.245 ( 4.276 -1.606 0.538) 4.599 22.472 ( -4.183 1.811 5.160) 6.886 22.629 ( 2.440 1.097 -6.060) 6.624 22.944 ( 1.100 -1.273 -1.781) 2.450 22.987 ( 0.156 -2.000 7.099) 7.377 23.086 ( -2.236 -5.775 -4.476) 7.641 23.420 ( -0.236 2.047 3.293) 3.885 23.525 ( -1.866 5.168 -1.704) 5.752 23.644 ( -6.077 -2.092 -0.471) 6.444 23.695 ( -5.326 -3.973 -1.108) 6.736 23.980 ( 1.189 7.951 8.246) 11.516 24.254 ( -2.097 -0.755 -2.005) 2.998 24.429 ( -0.375 3.497 -6.934) 7.775 24.758 ( 1.285 -0.591 -2.498) 2.871 24.988 ( 5.073 -0.989 7.141) 8.815 25.597 ( 8.693 -7.500 -2.402) 11.729 29.020 ( 2.111 4.306 0.123) 4.798 29.075 ( 0.965 5.813 -3.587) 6.899 29.510 ( 0.915 -0.764 1.966) 2.300 29.614 ( 2.131 -3.346 -1.748) 4.335 29.770 ( -0.285 -0.821 0.435) 0.972 29.840 ( 1.149 -5.420 -0.824) 5.601 29.852 ( -0.016 -1.294 1.031) 1.655 29.901 ( 0.038 -1.300 1.356) 1.879 30.013 ( -1.149 1.901 -0.122) 2.224 30.075 ( 0.297 2.260 -0.106) 2.282 30.145 ( 0.013 2.522 -0.601) 2.593 30.251 ( 1.135 4.603 4.783) 6.735 30.367 ( 0.367 -0.129 3.351) 3.374 30.528 ( 0.686 4.126 -0.175) 4.186 30.736 ( 1.188 -5.511 0.746) 5.687 30.911 ( -1.516 0.900 -3.536) 3.951 31.072 ( 0.867 1.194 3.094) 3.428 31.094 ( -3.185 0.907 6.054) 6.901 31.298 ( -0.773 9.928 2.095) 10.176 31.609 ( 6.586 0.100 9.354) 11.441 31.756 ( 2.205 -1.917 -6.354) 6.994 31.926 ( -3.147 -2.728 -13.606) 14.230 32.113 ( 3.682 -2.780 1.040) 4.729 32.217 ( -3.378 -7.852 -10.426) 13.482 32.592 ( -1.028 -1.402 -0.771) 1.902 32.767 ( 11.909 4.224 1.763) 12.759 33.221 ( 5.774 -3.059 5.024) 8.242 33.318 ( 10.623 -0.263 3.116) 11.074 34.210 ( -3.887 4.562 10.334) 11.946 34.716 ( -4.997 -4.413 11.490) 13.284 34.929 ( -6.911 -1.190 -20.808) 21.958 34.993 ( -13.603 -2.373 -11.600) 18.034 ======================= Grid point 102 (52/80) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -3.190 17.452 31.280) 35.961 2.146 ( -24.282 8.067 30.148) 39.542 2.820 ( 0.886 7.061 -25.754) 26.719 3.130 ( -5.054 5.738 -1.183) 7.737 3.166 ( -15.687 17.033 20.355) 30.831 3.336 ( -11.225 9.196 2.776) 14.774 3.480 ( 4.049 -0.593 0.824) 4.175 3.739 ( 3.712 -4.560 -3.576) 6.881 3.839 ( 9.641 -2.264 5.474) 11.315 3.868 ( 3.140 -4.264 -4.274) 6.805 3.940 ( -4.718 3.733 4.207) 7.341 4.047 ( 4.436 1.210 1.703) 4.904 4.126 ( 2.132 3.298 2.691) 4.761 4.240 ( 1.539 4.436 -0.677) 4.744 4.308 ( 2.774 -4.721 -0.063) 5.476 4.484 ( 5.656 -0.486 -11.285) 12.632 4.615 ( -6.928 -11.267 5.723) 14.412 4.760 ( -4.111 -3.262 -8.502) 9.991 4.813 ( -4.486 -7.315 -2.324) 8.891 4.999 ( -5.739 1.151 -5.267) 7.874 5.062 ( 1.222 -0.382 -12.603) 12.668 5.096 ( -5.784 -6.509 -6.602) 10.927 5.321 ( 4.217 3.455 -3.424) 6.438 5.369 ( -1.723 -0.757 7.625) 7.854 5.643 ( 1.067 4.759 -6.158) 7.855 5.725 ( 4.031 -11.562 7.934) 14.590 5.968 ( 1.569 1.718 -1.029) 2.544 6.030 ( -5.343 4.338 3.082) 7.541 6.155 ( -1.653 9.969 -8.228) 13.031 6.242 ( -7.098 -9.327 2.203) 11.926 6.306 ( -1.130 3.700 -9.545) 10.300 6.416 ( 10.785 5.263 7.823) 14.326 6.458 ( 4.465 5.920 9.341) 11.926 6.614 ( 0.283 0.124 -3.810) 3.823 6.863 ( 3.746 -4.035 9.902) 11.329 6.945 ( 13.901 11.368 -10.288) 20.696 7.015 ( -7.986 0.814 -4.861) 9.385 7.229 ( 0.460 -0.957 1.547) 1.877 7.283 ( 8.445 -3.806 3.131) 9.778 7.481 ( 4.446 -1.743 2.553) 5.415 7.601 ( 6.034 0.209 0.751) 6.084 7.687 ( 5.244 4.863 -3.308) 7.880 7.850 ( 5.614 -2.861 1.772) 6.545 8.059 ( -7.371 -6.391 3.894) 10.504 8.209 ( 1.366 -3.014 -2.886) 4.391 8.310 ( -12.723 -3.041 0.651) 13.098 8.436 ( -3.981 -2.578 -0.375) 4.758 8.634 ( 20.647 3.045 -8.968) 22.716 8.667 ( -3.532 4.202 -5.606) 7.846 8.890 ( -5.534 -2.588 1.633) 6.324 9.168 ( 7.213 -1.592 1.652) 7.569 9.245 ( -3.352 0.177 5.409) 6.366 9.586 ( 0.874 -0.158 4.149) 4.243 9.613 ( -1.948 0.252 3.516) 4.027 9.687 ( -5.840 2.157 -0.691) 6.264 9.790 ( -2.977 8.039 -6.859) 10.979 10.389 ( -6.391 0.996 3.102) 7.173 10.443 ( -4.706 2.180 2.752) 5.871 10.929 ( 9.224 -6.444 0.400) 11.259 11.208 ( 3.250 4.265 0.714) 5.409 11.358 ( -7.638 -4.849 1.865) 9.237 11.448 ( -0.494 -5.255 -3.885) 6.554 11.770 ( -3.659 1.831 11.078) 11.810 12.102 ( -4.102 6.677 13.934) 15.987 12.119 ( 1.740 -7.849 -7.452) 10.962 12.551 ( -0.470 -1.055 7.049) 7.143 12.630 ( 3.212 1.236 1.778) 3.874 12.826 ( 0.970 -3.699 -1.570) 4.134 12.939 ( 0.759 -1.432 -17.799) 17.872 13.298 ( -2.713 -8.419 -10.049) 13.388 13.576 ( -5.641 3.381 2.152) 6.920 13.878 ( -2.932 -6.349 1.216) 7.098 14.048 ( -6.505 1.904 -4.988) 8.415 14.104 ( -1.739 0.617 1.021) 2.109 14.376 ( 0.499 -2.168 -1.728) 2.817 14.519 ( -3.471 0.429 -1.734) 3.903 14.670 ( -1.619 1.694 -0.821) 2.483 14.827 ( 1.777 6.763 -2.396) 7.392 14.843 ( 3.148 -1.813 -2.508) 4.414 14.978 ( 2.396 1.101 -4.736) 5.421 15.102 ( 3.285 6.420 -1.540) 7.374 15.132 ( -1.907 4.369 4.820) 6.779 15.359 ( 2.331 -2.738 0.269) 3.606 15.434 ( 1.204 1.276 -4.911) 5.215 15.553 ( -1.849 1.138 8.738) 9.004 15.864 ( 5.031 -2.523 3.033) 6.393 15.963 ( -1.562 -1.947 -1.346) 2.836 16.210 ( 0.295 1.782 -2.588) 3.156 16.281 ( 5.145 -4.166 1.166) 6.722 16.565 ( -9.712 -8.115 -3.174) 13.048 16.683 ( 2.961 -1.615 0.791) 3.464 16.749 ( 1.688 -4.729 1.693) 5.299 17.016 ( 8.627 3.170 -1.538) 9.319 17.084 ( 1.053 -1.106 -2.045) 2.553 17.544 ( 5.482 -11.257 7.709) 14.704 17.758 ( 3.585 -2.841 4.832) 6.654 17.911 ( -2.985 -0.213 11.523) 11.905 17.987 ( 17.836 0.798 -5.653) 18.728 18.454 ( -10.170 9.677 -1.954) 14.174 19.104 ( -10.885 -5.287 -10.615) 16.097 20.665 ( -3.368 3.970 -4.081) 6.616 20.870 ( -7.287 3.809 -5.415) 9.846 21.207 ( -1.228 -3.910 8.814) 9.720 21.356 ( 1.936 -3.111 1.948) 4.150 21.529 ( 9.258 2.497 6.679) 11.685 21.802 ( -2.506 2.358 -0.565) 3.487 21.879 ( -2.590 9.625 6.278) 11.780 22.115 ( 0.677 7.883 1.365) 8.029 22.317 ( 1.275 -3.406 0.795) 3.723 22.425 ( 0.263 1.574 0.347) 1.633 22.612 ( -2.678 2.546 -5.816) 6.891 22.859 ( -12.691 -3.109 -4.359) 13.774 22.961 ( -4.653 -2.732 4.254) 6.871 23.062 ( 2.485 -10.088 -7.441) 12.779 23.340 ( -2.854 -0.580 3.523) 4.571 23.468 ( -0.223 5.396 3.053) 6.204 23.560 ( -3.504 -3.874 -1.770) 5.516 23.602 ( -0.997 4.683 1.705) 5.082 24.032 ( 2.650 10.420 10.748) 15.202 24.299 ( 4.519 -0.647 2.211) 5.072 24.467 ( 2.012 1.687 -4.658) 5.347 24.651 ( -5.001 -0.831 -4.434) 6.735 25.247 ( 12.547 0.584 4.981) 13.512 25.726 ( 2.886 -6.218 -3.636) 7.760 29.072 ( 2.382 7.037 -1.035) 7.501 29.102 ( 1.475 4.143 -3.121) 5.392 29.537 ( 1.203 2.150 2.787) 3.720 29.664 ( 2.688 -3.938 -1.563) 5.018 29.768 ( -0.877 -0.713 0.144) 1.140 29.796 ( -3.217 -3.941 -0.555) 5.118 29.837 ( -0.561 -1.370 1.828) 2.352 29.931 ( 1.077 -1.087 0.411) 1.584 30.019 ( 2.001 1.878 -0.255) 2.756 30.100 ( 1.869 2.600 -0.616) 3.261 30.171 ( 2.351 1.644 0.045) 2.869 30.270 ( -1.851 1.713 3.458) 4.280 30.378 ( 2.439 2.522 3.729) 5.120 30.529 ( -0.265 1.481 -0.763) 1.687 30.750 ( -0.315 -3.519 -2.098) 4.109 30.848 ( -5.186 -1.437 -3.686) 6.523 30.985 ( -2.098 2.805 6.194) 7.116 31.147 ( 2.847 -0.702 5.142) 5.920 31.281 ( -2.625 7.032 0.299) 7.512 31.710 ( -1.839 -0.578 0.430) 1.975 31.764 ( 3.896 -2.004 -2.550) 5.070 31.850 ( -3.961 -4.142 -5.849) 8.189 32.127 ( -0.368 8.741 -3.818) 9.545 32.159 ( -3.777 -5.706 -13.174) 14.845 32.695 ( 8.798 -13.344 11.238) 19.539 33.029 ( 11.649 -7.641 -1.952) 14.068 33.438 ( 13.303 5.607 6.410) 15.795 33.682 ( 22.897 -0.106 3.595) 23.178 34.130 ( -1.630 5.711 5.413) 8.036 34.518 ( -13.177 -4.166 5.054) 14.715 34.638 ( -15.861 0.672 -4.422) 16.479 34.669 ( -19.191 -1.136 -19.188) 27.162 ======================= Grid point 103 (53/80) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -0.629 28.303 21.143) 35.334 2.237 ( 7.188 26.907 21.477) 35.170 2.904 ( 3.160 -6.241 -2.836) 7.549 3.231 ( 0.926 -3.657 -12.020) 12.598 3.309 ( -0.170 15.456 -2.060) 15.594 3.414 ( -2.583 11.870 11.481) 16.715 3.458 ( -0.023 -7.256 -9.961) 12.323 3.587 ( -0.277 -1.797 1.358) 2.269 3.743 ( 3.329 -8.955 -5.396) 10.973 3.903 ( -2.933 -11.914 0.960) 12.307 3.943 ( -2.875 4.855 0.192) 5.646 4.032 ( -2.023 -5.581 -11.267) 12.736 4.116 ( 3.591 -0.538 6.970) 7.859 4.215 ( -1.017 5.801 5.338) 7.949 4.371 ( -0.571 -2.780 -3.369) 4.405 4.439 ( 3.244 -8.269 -8.535) 12.319 4.518 ( -1.314 1.864 3.309) 4.019 4.585 ( -2.666 -5.640 -8.106) 10.229 4.725 ( -1.823 7.828 -3.590) 8.803 4.853 ( 2.524 3.457 1.130) 4.427 4.996 ( 1.628 -1.410 -6.466) 6.815 5.219 ( 0.623 6.941 0.329) 6.976 5.260 ( -3.207 5.702 -1.833) 6.794 5.532 ( 6.423 -6.884 8.917) 12.968 5.664 ( -0.042 -9.399 4.812) 10.559 5.703 ( -2.583 -9.932 12.043) 15.822 5.899 ( -0.013 8.756 -11.082) 14.124 6.008 ( -0.865 5.579 0.232) 5.650 6.067 ( -9.710 4.716 1.754) 10.936 6.272 ( -6.343 -4.134 0.133) 7.573 6.343 ( 5.644 3.419 -10.222) 12.167 6.476 ( 8.902 -13.220 0.177) 15.939 6.718 ( 1.276 14.535 0.098) 14.591 6.784 ( 6.865 -1.224 5.655) 8.978 6.824 ( 0.455 3.076 6.903) 7.571 7.017 ( 0.320 8.812 0.252) 8.821 7.180 ( 0.643 3.609 4.638) 5.911 7.322 ( 0.643 2.253 -3.049) 3.846 7.384 ( -2.686 -5.538 -4.827) 7.822 7.445 ( 3.567 2.164 -1.495) 4.431 7.696 ( -14.906 2.456 3.577) 15.525 7.743 ( -2.119 -4.553 2.150) 5.463 7.815 ( -7.321 -2.985 7.622) 10.982 7.858 ( 3.162 -6.764 2.165) 7.774 7.983 ( 6.515 -1.885 2.668) 7.288 8.123 ( -2.621 -8.041 -3.157) 9.028 8.516 ( 6.285 4.355 1.294) 7.755 8.644 ( -4.608 3.311 -3.572) 6.705 8.688 ( -10.861 3.099 4.427) 12.131 8.873 ( -12.036 -3.880 2.177) 12.832 9.185 ( 11.178 -3.733 -4.414) 12.584 9.284 ( 10.580 -4.304 -1.604) 11.534 9.547 ( 0.729 0.983 -1.527) 1.957 9.655 ( 6.542 -3.466 -1.518) 7.558 9.817 ( 4.256 10.053 -4.710) 11.890 9.897 ( -2.709 7.009 -6.922) 10.217 10.391 ( -5.181 6.995 1.292) 8.800 10.461 ( 2.609 6.917 -0.885) 7.446 10.965 ( 2.620 -8.466 3.486) 9.523 11.131 ( 0.991 -1.119 -1.311) 1.988 11.238 ( 0.815 -4.838 -0.489) 4.930 11.376 ( -2.128 -3.897 -4.219) 6.125 11.691 ( -2.439 1.471 10.404) 10.787 11.975 ( 1.903 -10.119 -1.240) 10.371 12.215 ( -2.890 8.989 9.180) 13.169 12.481 ( -2.329 -3.401 8.412) 9.368 12.682 ( 0.363 0.302 1.197) 1.287 12.757 ( -0.391 -3.414 0.780) 3.524 12.933 ( 0.081 0.455 -10.476) 10.486 13.106 ( -1.044 -7.275 -9.737) 12.199 13.583 ( 1.551 2.568 0.964) 3.151 13.737 ( 1.695 -5.587 -1.528) 6.035 13.970 ( -1.833 0.022 -7.299) 7.525 14.015 ( -1.584 -2.837 -8.022) 8.655 14.373 ( 1.476 1.233 -3.167) 3.705 14.483 ( 1.636 -1.699 -7.133) 7.513 14.715 ( -3.434 4.931 6.557) 8.894 14.831 ( -0.744 0.432 2.620) 2.758 15.006 ( -1.355 8.953 -2.696) 9.447 15.070 ( 1.638 5.058 -0.084) 5.317 15.250 ( 1.585 5.417 1.973) 5.979 15.282 ( -2.208 4.612 1.409) 5.303 15.342 ( -0.736 2.861 -0.331) 2.973 15.419 ( 3.233 -1.823 -3.110) 4.842 15.654 ( 5.210 -1.318 6.338) 8.310 15.851 ( 2.137 -3.387 -0.679) 4.062 15.902 ( 4.428 -8.173 1.812) 9.470 15.977 ( -8.336 -11.473 -3.041) 14.504 16.323 ( 2.114 0.675 -0.786) 2.354 16.341 ( -3.483 -2.465 -0.666) 4.318 16.653 ( 0.487 -3.435 2.083) 4.047 16.730 ( 0.845 -3.128 1.741) 3.678 17.036 ( -6.090 1.551 3.623) 7.254 17.095 ( -4.803 -0.404 2.392) 5.381 17.500 ( 3.264 -2.735 -0.683) 4.313 17.686 ( 1.691 -9.402 -3.976) 10.347 18.052 ( 0.583 12.955 9.479) 16.063 18.392 ( 14.496 0.898 -4.629) 15.244 18.455 ( 3.231 2.039 2.646) 4.647 18.634 ( -17.214 -9.321 -7.338) 20.906 20.644 ( -3.737 2.863 2.610) 5.383 20.778 ( -1.310 -3.870 -1.334) 4.298 21.172 ( 2.680 2.463 2.715) 4.541 21.347 ( 5.489 -4.582 -3.391) 7.913 21.843 ( -0.348 5.907 0.045) 5.917 21.851 ( 3.126 8.313 -0.568) 8.900 22.001 ( 5.076 3.004 6.227) 8.577 22.155 ( -3.421 -0.887 0.737) 3.610 22.320 ( 2.149 0.197 2.525) 3.321 22.393 ( -0.909 -5.266 -0.120) 5.345 22.641 ( -2.130 5.062 -3.801) 6.679 22.722 ( -2.265 10.078 -4.199) 11.150 22.863 ( 0.023 -1.124 -2.680) 2.906 22.947 ( 1.915 -5.600 -5.307) 7.950 23.306 ( 2.616 -5.666 5.571) 8.365 23.373 ( -1.870 -7.451 1.349) 7.799 23.623 ( 1.477 7.439 5.121) 9.151 23.700 ( -0.360 5.460 1.140) 5.590 24.252 ( -1.614 8.189 7.929) 11.513 24.350 ( 0.957 -0.885 0.455) 1.380 24.430 ( -0.702 -1.148 0.777) 1.554 24.627 ( -0.234 -2.232 -4.842) 5.337 25.448 ( 3.268 1.229 1.421) 3.770 25.596 ( -3.229 -5.604 -3.828) 7.516 29.181 ( -0.866 5.037 0.271) 5.118 29.298 ( 1.416 8.094 -5.767) 10.039 29.545 ( -1.698 -6.127 3.812) 7.414 29.649 ( 2.332 2.548 2.463) 4.242 29.691 ( 0.303 -5.392 -2.166) 5.819 29.732 ( -0.674 0.538 -1.837) 2.029 29.884 ( 2.140 0.499 0.188) 2.205 29.904 ( -1.785 -0.711 0.003) 1.922 30.095 ( 0.326 1.913 2.738) 3.356 30.137 ( -0.096 0.239 1.666) 1.686 30.198 ( -2.386 1.357 1.844) 3.307 30.259 ( 0.178 -0.220 0.395) 0.486 30.510 ( 2.323 3.694 1.730) 4.694 30.560 ( 0.663 2.332 -1.866) 3.059 30.690 ( -5.899 -0.681 -1.682) 6.172 30.704 ( 0.779 -2.718 -1.773) 3.337 30.995 ( -2.965 2.728 9.010) 9.870 31.148 ( -2.701 -2.631 1.855) 4.202 31.242 ( -1.552 4.871 1.473) 5.320 31.522 ( -2.497 -7.507 -8.046) 11.284 31.838 ( 2.128 4.878 -1.175) 5.450 31.946 ( 2.959 0.758 -3.785) 4.864 32.111 ( 3.445 6.134 0.817) 7.083 32.275 ( -3.605 9.943 -4.879) 11.648 32.534 ( 2.467 -14.087 12.177) 18.784 32.874 ( -0.488 -18.672 -2.719) 18.876 33.804 ( 6.426 4.022 3.868) 8.511 33.908 ( -1.763 -1.900 2.366) 3.509 34.179 ( -12.208 1.358 -4.119) 12.956 34.232 ( -7.115 -1.415 -4.384) 8.476 34.420 ( 0.187 3.674 -0.935) 3.796 34.527 ( 15.708 -1.451 -5.159) 16.598 ======================= Grid point 104 (54/80) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 13.341 32.680 10.573) 36.848 2.544 ( 16.737 21.756 17.771) 32.700 3.061 ( 8.516 -2.345 -6.138) 10.756 3.181 ( -4.370 2.744 4.732) 7.001 3.248 ( -0.816 6.054 -20.038) 20.949 3.456 ( -0.500 -0.485 2.191) 2.299 3.490 ( -6.835 -11.480 1.907) 13.496 3.575 ( 6.699 -0.817 -2.534) 7.209 3.723 ( -6.560 -12.741 -1.662) 14.427 3.802 ( 5.577 0.796 -1.096) 5.739 3.996 ( 0.047 -2.340 -10.755) 11.007 4.090 ( 10.311 10.633 1.002) 14.845 4.204 ( 0.320 8.719 7.937) 11.795 4.233 ( 1.787 0.270 -0.864) 2.003 4.314 ( 1.967 3.052 5.033) 6.206 4.447 ( -5.184 -5.461 -7.104) 10.351 4.576 ( 2.634 -1.375 8.136) 8.662 4.661 ( 9.783 -7.279 -8.529) 14.881 4.723 ( 4.962 -5.189 -9.116) 11.604 4.893 ( 0.133 3.254 -1.661) 3.656 5.033 ( 1.884 0.309 -3.675) 4.142 5.211 ( 0.603 4.991 -0.575) 5.060 5.292 ( 5.116 4.100 3.170) 7.282 5.529 ( -7.053 -5.373 9.893) 13.285 5.611 ( -0.871 -3.434 4.074) 5.399 5.649 ( -3.371 -1.605 -0.831) 3.825 5.887 ( -0.834 -8.500 5.948) 10.408 5.986 ( 1.194 0.031 -1.439) 1.870 6.083 ( -3.248 5.650 -4.507) 7.924 6.119 ( 2.163 9.577 -1.288) 9.902 6.428 ( 1.443 3.236 -5.646) 6.666 6.544 ( -7.438 2.379 6.469) 10.141 6.708 ( 2.323 -7.140 2.594) 7.944 6.835 ( -2.469 7.980 1.160) 8.434 6.931 ( 2.633 6.482 -0.334) 7.004 6.970 ( -2.407 -3.995 2.062) 5.099 7.097 ( -12.656 5.175 2.002) 13.819 7.178 ( -5.778 0.504 10.005) 11.564 7.301 ( -9.365 -1.604 -4.747) 10.621 7.344 ( 0.272 3.081 -1.666) 3.513 7.398 ( -7.708 6.057 -0.387) 9.811 7.743 ( 1.554 -3.745 0.633) 4.104 7.825 ( 5.286 -7.510 -1.896) 9.377 7.953 ( 3.388 -8.212 4.996) 10.192 8.024 ( -7.600 -4.260 -1.993) 8.937 8.156 ( 2.828 -12.905 1.922) 13.351 8.341 ( -11.415 5.160 2.001) 12.686 8.531 ( -12.084 -4.085 0.892) 12.787 8.707 ( 5.633 4.176 2.428) 7.420 8.723 ( 8.856 2.419 -3.439) 9.803 9.221 ( -5.324 -0.481 -1.807) 5.643 9.400 ( -0.660 -5.899 4.358) 7.364 9.651 ( 4.342 4.031 -3.442) 6.852 9.789 ( 0.225 6.317 -5.670) 8.491 9.882 ( 5.154 4.917 -2.396) 7.515 9.972 ( 6.738 5.349 -6.966) 11.070 10.348 ( 2.370 4.698 -0.832) 5.327 10.522 ( 3.886 2.600 0.163) 4.679 11.029 ( 4.285 -5.980 3.304) 8.065 11.126 ( -1.925 3.962 5.211) 6.823 11.263 ( 0.322 -5.282 -5.047) 7.313 11.359 ( 0.328 -8.645 -0.671) 8.677 11.691 ( 3.976 5.673 4.254) 8.129 12.003 ( 0.315 -4.617 -1.063) 4.748 12.187 ( 0.474 1.721 7.904) 8.103 12.426 ( -3.548 -5.041 10.967) 12.581 12.641 ( -3.585 0.938 3.217) 4.907 12.740 ( -0.713 -3.704 2.254) 4.394 12.942 ( 1.275 0.182 -12.622) 12.687 13.082 ( -1.156 -5.308 -10.974) 12.245 13.692 ( 8.086 0.816 4.560) 9.319 13.833 ( 6.079 -6.605 0.211) 8.979 14.003 ( 5.011 0.548 -7.544) 9.073 14.066 ( 6.420 -1.758 -10.643) 12.553 14.413 ( 2.144 0.407 -1.967) 2.938 14.531 ( 2.179 -1.565 -7.874) 8.319 14.628 ( -4.306 4.746 5.341) 8.342 14.790 ( -2.623 2.644 2.031) 4.242 14.954 ( -3.782 9.407 -2.100) 10.354 15.031 ( -5.135 4.794 1.031) 7.100 15.156 ( -6.869 8.609 -1.417) 11.105 15.293 ( 1.193 -0.514 1.301) 1.838 15.356 ( 1.236 -3.497 -2.006) 4.217 15.452 ( -1.134 2.644 -0.127) 2.880 15.752 ( -6.178 -7.208 1.104) 9.558 15.794 ( 6.395 -4.034 5.394) 9.288 15.988 ( 5.363 -2.195 -6.863) 8.982 16.090 ( 10.191 -4.870 3.032) 11.695 16.267 ( -0.018 -6.183 -0.503) 6.204 16.322 ( -1.373 -2.362 0.324) 2.751 16.633 ( -2.572 -2.447 0.660) 3.611 16.706 ( -3.899 -2.866 4.394) 6.536 16.862 ( -8.532 3.053 1.297) 9.154 16.909 ( -10.368 -2.782 4.251) 11.546 17.496 ( -5.493 -1.409 3.522) 6.676 17.628 ( -9.550 -2.741 -0.731) 9.963 17.947 ( -2.975 4.534 2.612) 6.019 18.279 ( -13.204 -7.410 -2.578) 15.359 18.667 ( 14.728 2.272 -3.677) 15.349 18.744 ( 12.716 0.366 0.804) 12.747 20.619 ( 1.967 4.808 4.026) 6.573 20.821 ( 4.566 -6.072 2.136) 7.891 21.274 ( 6.192 6.778 -2.865) 9.618 21.488 ( 7.254 -2.172 -3.470) 8.329 21.761 ( -4.539 8.211 -1.223) 9.462 21.896 ( 0.030 2.677 -1.868) 3.264 22.027 ( -3.618 1.310 2.483) 4.580 22.145 ( -2.570 -6.016 0.666) 6.576 22.367 ( 4.247 4.465 1.038) 6.249 22.459 ( 7.993 0.186 2.565) 8.396 22.662 ( 2.803 4.212 -4.075) 6.497 22.719 ( 1.272 8.288 -2.719) 8.815 22.878 ( 1.034 2.270 -3.265) 4.109 23.003 ( 3.321 -8.223 -3.876) 9.678 23.333 ( 0.414 -4.780 3.623) 6.012 23.412 ( 3.777 -9.319 0.686) 10.078 23.645 ( -0.161 7.713 3.282) 8.384 23.709 ( 2.347 5.682 2.477) 6.628 24.207 ( -1.986 7.740 7.043) 10.651 24.381 ( -2.002 -1.061 0.796) 2.402 24.403 ( 1.891 -2.541 1.175) 3.379 24.577 ( -2.513 -3.820 -4.240) 6.235 25.404 ( -8.192 -1.125 0.198) 8.271 25.469 ( -6.915 -3.243 -1.909) 7.872 29.145 ( -2.153 5.207 0.491) 5.656 29.295 ( -2.017 7.428 -5.838) 9.661 29.489 ( -2.673 -3.717 3.287) 5.636 29.607 ( -3.971 0.019 -0.504) 4.003 29.711 ( 1.187 -2.039 1.702) 2.909 29.776 ( 2.527 -1.837 -2.235) 3.841 29.855 ( -1.514 -0.870 -1.205) 2.122 29.907 ( -0.632 -2.747 0.369) 2.843 30.083 ( -0.317 1.794 0.600) 1.918 30.119 ( -2.484 0.681 2.815) 3.815 30.151 ( -1.173 2.405 1.547) 3.090 30.264 ( -0.835 -2.037 3.354) 4.012 30.537 ( 0.736 4.788 -0.694) 4.893 30.574 ( -3.708 4.083 1.404) 5.691 30.597 ( 2.712 1.747 2.318) 3.973 30.737 ( 2.498 -3.814 -1.456) 4.786 30.938 ( -1.084 2.601 9.021) 9.450 31.110 ( 0.404 -2.608 4.866) 5.536 31.335 ( 7.003 3.703 0.976) 7.981 31.508 ( 0.159 -4.040 -3.771) 5.528 31.840 ( -1.949 8.017 0.446) 8.262 31.916 ( -4.094 3.089 -8.872) 10.248 32.159 ( -2.926 5.603 -6.491) 9.060 32.240 ( 3.508 3.286 -0.591) 4.842 32.567 ( 1.300 -10.371 9.258) 13.962 32.754 ( -8.817 -18.835 -4.797) 21.343 33.619 ( -18.251 4.142 1.104) 18.747 33.730 ( -14.632 -0.870 1.235) 14.710 34.075 ( 5.242 4.281 6.439) 9.342 34.269 ( 9.373 -4.972 4.811) 11.650 34.607 ( 12.517 7.587 -8.254) 16.803 34.932 ( 16.454 -8.897 -12.040) 22.245 ======================= Grid point 105 (55/80) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 13.024 23.158 2.295) 26.668 2.789 ( 3.401 15.762 2.716) 16.352 3.053 ( -11.679 3.492 5.657) 13.439 3.141 ( -2.424 2.657 -24.184) 24.450 3.210 ( 1.690 3.270 -1.868) 4.128 3.386 ( 5.377 -2.991 5.908) 8.530 3.481 ( 2.011 -4.959 -6.577) 8.479 3.653 ( -0.129 -6.705 -0.645) 6.737 3.748 ( -4.785 -6.776 -3.019) 8.828 3.818 ( 7.702 -3.162 3.731) 9.124 4.075 ( -2.794 7.251 -2.297) 8.103 4.132 ( 7.052 0.323 -0.235) 7.063 4.286 ( 5.861 9.894 -12.023) 16.637 4.344 ( -0.448 -5.031 3.802) 6.322 4.405 ( 5.449 -0.280 -1.909) 5.781 4.445 ( 5.985 6.932 8.422) 12.442 4.661 ( 5.163 -0.923 5.094) 7.311 4.804 ( 5.608 -6.996 -0.277) 8.971 4.828 ( 0.412 -2.794 -4.715) 5.496 4.900 ( 2.097 -8.903 -10.088) 13.618 5.082 ( 4.609 14.824 2.719) 15.760 5.262 ( -0.175 5.881 8.200) 10.093 5.364 ( 0.761 4.545 -1.946) 5.002 5.449 ( 2.514 0.200 0.622) 2.597 5.561 ( -2.212 0.423 -0.667) 2.349 5.674 ( 5.536 2.960 -2.580) 6.787 5.805 ( -6.782 8.883 10.615) 15.414 5.963 ( -6.611 -2.791 4.155) 8.293 6.053 ( 9.052 -8.506 1.927) 12.570 6.139 ( -6.513 8.739 0.557) 10.914 6.408 ( -6.652 2.137 -1.888) 7.238 6.462 ( 1.045 2.630 -0.649) 2.904 6.541 ( -18.016 -7.522 8.045) 21.116 6.668 ( -1.216 0.923 0.587) 1.635 6.846 ( -0.236 -8.643 3.901) 9.485 6.923 ( -3.357 -6.100 3.687) 7.879 7.005 ( -1.436 -4.815 0.751) 5.080 7.078 ( -6.869 -2.285 -4.347) 8.444 7.301 ( -1.546 11.547 4.906) 12.641 7.322 ( 7.491 6.593 -0.699) 10.004 7.415 ( 4.864 4.741 -4.222) 7.997 7.691 ( -3.951 -1.267 -1.205) 4.321 7.760 ( -10.958 1.088 -0.003) 11.012 7.883 ( -2.978 -1.723 2.379) 4.182 8.057 ( 2.585 -7.674 -4.659) 9.342 8.193 ( -1.848 -13.742 4.211) 14.491 8.270 ( 10.166 -4.865 -4.016) 11.964 8.351 ( -3.840 -4.370 2.070) 6.175 8.781 ( 0.444 10.718 -4.950) 11.814 8.920 ( 2.922 -0.349 5.973) 6.659 9.065 ( -5.183 -3.575 -6.600) 9.122 9.307 ( -7.189 -10.607 2.894) 13.137 9.704 ( 1.964 6.060 2.114) 6.712 9.816 ( 2.440 10.438 -2.881) 11.100 9.897 ( -1.912 4.913 0.969) 5.360 10.038 ( -0.480 8.124 -7.697) 11.202 10.457 ( 5.356 3.072 -1.002) 6.255 10.620 ( 3.891 -2.890 -2.638) 5.518 11.038 ( -2.948 0.404 10.121) 10.549 11.171 ( 3.486 1.580 6.082) 7.186 11.253 ( -0.592 -4.480 -1.775) 4.855 11.377 ( 3.039 -8.050 -2.546) 8.974 11.843 ( 6.624 7.189 -1.473) 9.886 12.003 ( 1.624 -1.626 -3.184) 3.927 12.227 ( 2.697 -5.392 4.943) 7.796 12.310 ( -7.435 -5.704 12.645) 15.739 12.585 ( -0.596 3.106 3.661) 4.838 12.741 ( 0.464 -4.212 3.316) 5.381 12.992 ( 3.712 -1.719 -13.214) 13.833 13.049 ( -1.726 -2.851 -12.537) 12.972 13.879 ( 7.349 -1.411 7.524) 10.611 13.962 ( 5.836 -4.922 3.380) 8.349 14.141 ( 6.348 1.211 -6.714) 9.319 14.245 ( 8.048 1.565 -11.363) 14.012 14.414 ( -2.823 -4.416 -1.719) 5.516 14.508 ( -3.372 -4.145 0.370) 5.356 14.611 ( 3.568 7.328 -4.499) 9.310 14.763 ( -1.837 2.762 -1.599) 3.682 14.866 ( -0.481 8.522 0.546) 8.553 14.887 ( -7.013 4.093 1.693) 8.295 15.027 ( -5.161 8.201 -2.124) 9.920 15.234 ( -7.173 -2.111 -3.706) 8.345 15.353 ( -0.842 -1.158 1.453) 2.040 15.439 ( -0.463 -1.076 -2.526) 2.785 15.668 ( -0.224 -2.261 1.833) 2.919 15.902 ( -1.245 -4.258 -1.596) 4.715 16.038 ( 5.865 0.212 2.342) 6.319 16.252 ( 1.482 -7.630 4.465) 8.964 16.372 ( 4.030 -2.202 -0.755) 4.654 16.421 ( 10.641 -1.449 1.531) 10.847 16.542 ( -2.644 -2.360 2.816) 4.526 16.573 ( -5.625 0.082 2.523) 6.166 16.730 ( -1.645 -4.551 1.731) 5.139 16.745 ( -4.628 -5.215 1.129) 7.063 17.204 ( -18.175 5.023 4.324) 19.346 17.398 ( -11.182 -4.503 -4.463) 12.854 17.957 ( 1.793 -2.850 6.162) 7.022 18.062 ( -7.528 -5.670 4.010) 10.242 18.947 ( 7.406 3.716 1.442) 8.411 18.969 ( 11.107 1.522 -7.706) 13.604 20.720 ( 6.562 6.556 6.690) 11.437 20.943 ( 6.002 -4.686 5.596) 9.450 21.386 ( 2.761 10.711 -8.426) 13.905 21.591 ( -1.214 1.159 -2.068) 2.663 21.710 ( 2.754 6.623 -2.463) 7.583 21.836 ( -6.379 1.016 -3.622) 7.405 21.942 ( -1.996 -4.712 0.869) 5.191 22.052 ( -3.863 -8.158 -0.839) 9.066 22.462 ( 4.433 10.913 -1.772) 11.912 22.622 ( 0.835 8.558 5.595) 10.258 22.698 ( 1.529 0.727 -2.671) 3.162 22.754 ( 3.462 1.494 1.049) 3.913 22.922 ( 3.320 1.703 -6.112) 7.161 23.055 ( 0.675 -7.409 -1.095) 7.520 23.359 ( 2.005 -0.818 6.283) 6.646 23.485 ( 3.565 -7.549 -0.443) 8.360 23.637 ( -0.060 6.530 2.464) 6.979 23.769 ( 1.632 1.561 1.561) 2.746 24.174 ( -2.213 9.314 6.748) 11.712 24.341 ( -2.517 -0.893 -2.873) 3.923 24.375 ( 0.451 1.845 -3.640) 4.106 24.675 ( 9.057 -11.107 0.635) 14.346 25.163 ( -11.732 -0.493 -1.077) 11.792 25.299 ( -8.962 -5.002 0.879) 10.301 29.099 ( -1.827 5.753 0.964) 6.113 29.231 ( -2.819 6.637 -4.790) 8.657 29.448 ( -1.301 -4.349 3.235) 5.574 29.533 ( -2.270 -2.434 -0.939) 3.458 29.744 ( 1.498 0.212 0.276) 1.538 29.788 ( -0.892 -0.704 0.135) 1.144 29.837 ( -1.160 -2.414 -1.613) 3.126 29.887 ( -0.552 -3.508 -0.717) 3.623 30.044 ( -1.751 3.035 4.049) 5.354 30.118 ( 0.309 0.424 -0.057) 0.528 30.163 ( 3.243 -0.691 -0.769) 3.404 30.205 ( -3.574 -2.745 4.473) 6.350 30.522 ( -2.225 7.283 4.489) 8.840 30.563 ( 1.695 7.271 -3.398) 8.203 30.667 ( 2.900 0.117 5.800) 6.486 30.803 ( 3.434 -3.759 -1.204) 5.232 30.967 ( 3.215 2.379 8.454) 9.352 31.144 ( 2.299 -3.385 8.083) 9.059 31.463 ( 3.493 4.818 -1.776) 6.211 31.505 ( -0.173 -0.052 0.407) 0.445 31.767 ( -4.081 7.083 0.814) 8.215 31.848 ( -0.524 2.664 -8.124) 8.565 32.077 ( -4.837 -1.290 -11.110) 12.186 32.274 ( -2.100 -4.642 -7.659) 9.199 32.550 ( -0.576 -3.147 2.141) 3.850 32.694 ( 3.652 -8.439 1.267) 9.282 33.259 ( -14.296 2.919 3.469) 14.998 33.390 ( -14.599 -2.742 -0.660) 14.868 34.239 ( 7.279 4.991 11.690) 14.647 34.482 ( 8.899 -6.452 8.758) 14.054 34.851 ( 9.377 6.332 -13.246) 17.421 35.157 ( 4.746 -8.821 -13.835) 17.081 ======================= Grid point 106 (56/80) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -15.237 9.835 1.043) 18.166 2.782 ( 0.408 -0.389 1.730) 1.819 2.990 ( 5.091 12.933 -7.647) 15.864 3.112 ( -0.697 1.473 -10.572) 10.696 3.244 ( 3.679 3.112 1.295) 4.990 3.419 ( -0.263 -2.508 -4.529) 5.183 3.460 ( -9.514 0.391 -2.984) 9.979 3.614 ( -4.561 -1.863 -6.360) 8.045 3.819 ( 9.729 11.133 1.629) 14.875 3.969 ( 2.708 2.284 7.329) 8.140 4.005 ( 3.515 6.729 7.876) 10.939 4.239 ( -0.759 7.047 -6.476) 9.600 4.266 ( -1.483 -7.918 0.790) 8.095 4.442 ( 0.803 -2.536 -0.894) 2.806 4.464 ( 2.364 -0.238 -4.484) 5.075 4.597 ( 7.411 -2.482 -0.858) 7.863 4.673 ( -1.555 -6.341 -2.308) 6.925 4.714 ( -8.361 -3.140 1.267) 9.020 4.897 ( 2.075 -8.236 -7.668) 11.443 4.952 ( 0.956 -11.220 -6.253) 12.880 5.107 ( -2.771 8.559 4.493) 10.056 5.242 ( -3.836 9.762 1.371) 10.578 5.408 ( -4.388 0.743 7.117) 8.394 5.517 ( 10.434 12.452 -0.554) 16.255 5.594 ( -18.082 22.813 7.182) 29.983 5.679 ( 8.943 6.752 -3.404) 11.711 5.829 ( 7.439 -0.909 -2.292) 7.837 5.855 ( 3.610 -0.001 -1.051) 3.759 6.019 ( 1.783 2.860 8.872) 9.491 6.142 ( -6.706 4.752 7.722) 11.278 6.274 ( 5.372 -3.658 4.840) 8.103 6.320 ( -5.082 -15.090 6.767) 17.301 6.538 ( 3.924 1.718 -2.269) 4.847 6.683 ( -1.419 -2.987 -2.661) 4.245 6.798 ( -6.013 -1.527 -0.773) 6.252 6.893 ( 1.689 -6.106 2.864) 6.952 6.947 ( -2.525 -5.943 -0.527) 6.478 7.084 ( 8.623 -6.189 1.664) 10.744 7.259 ( -3.127 5.519 6.281) 8.927 7.430 ( 4.240 -1.895 -4.655) 6.575 7.497 ( -2.224 0.245 -0.776) 2.368 7.612 ( 1.753 5.938 -6.310) 8.841 7.637 ( -0.436 5.718 3.161) 6.548 7.827 ( -2.214 3.407 1.379) 4.291 8.029 ( -5.678 -11.559 3.865) 13.446 8.171 ( 1.642 -13.801 8.880) 16.493 8.404 ( 9.794 -3.372 -8.668) 13.507 8.574 ( 11.195 -3.103 -12.718) 17.226 8.649 ( -10.178 10.619 2.408) 14.904 8.836 ( -2.463 2.026 -6.826) 7.535 9.118 ( 3.724 -8.778 2.391) 9.831 9.171 ( -3.112 -10.281 0.591) 10.758 9.744 ( 0.998 5.764 4.772) 7.549 9.813 ( -3.411 12.604 0.880) 13.087 9.848 ( -2.479 1.803 3.844) 4.916 10.013 ( -1.648 7.976 -9.184) 12.275 10.492 ( -2.221 0.852 1.393) 2.757 10.675 ( 1.199 -1.599 -4.911) 5.302 10.986 ( -2.321 3.231 9.847) 10.620 11.168 ( -1.980 5.014 8.425) 10.002 11.273 ( 2.927 -4.197 -2.731) 5.800 11.466 ( 2.318 -11.225 -1.822) 11.605 11.865 ( -1.779 2.335 0.292) 2.950 12.051 ( -4.799 -2.749 -2.521) 6.078 12.196 ( 2.069 -1.590 7.896) 8.316 12.321 ( 6.439 -5.340 2.918) 8.860 12.621 ( 3.082 3.792 3.678) 6.117 12.723 ( -2.589 -1.418 2.592) 3.928 13.003 ( -2.271 -0.515 -14.142) 14.333 13.091 ( 4.820 -6.122 -11.778) 14.122 13.945 ( -2.071 0.270 6.987) 7.293 14.015 ( -3.556 -2.645 6.449) 7.824 14.223 ( -2.244 -0.161 -3.968) 4.562 14.253 ( 3.023 1.392 -3.302) 4.688 14.431 ( -5.002 -3.620 -2.969) 6.851 14.484 ( 4.939 -7.614 -6.895) 11.398 14.675 ( -1.990 4.167 -3.465) 5.773 14.710 ( 4.837 6.131 -4.900) 9.219 14.815 ( 0.149 9.770 3.108) 10.253 14.941 ( -1.024 5.330 -1.613) 5.663 14.994 ( 8.808 2.664 -0.417) 9.212 15.081 ( -5.396 0.843 -5.090) 7.466 15.296 ( -4.177 -3.193 1.910) 5.594 15.426 ( 0.372 -3.607 -3.790) 5.245 15.707 ( 1.982 0.854 2.876) 3.595 15.841 ( -2.784 -1.361 -3.339) 4.555 16.140 ( 0.127 -1.039 5.130) 5.236 16.283 ( -4.673 1.933 5.218) 7.266 16.306 ( -0.908 -5.249 1.549) 5.547 16.422 ( 1.370 -0.136 4.381) 4.593 16.515 ( -1.260 2.240 5.434) 6.011 16.645 ( -1.627 -3.605 -1.430) 4.206 16.811 ( 6.097 -10.171 1.695) 11.979 16.843 ( 7.604 -11.899 5.955) 15.325 16.935 ( 2.516 6.292 -6.777) 9.584 17.190 ( -3.543 -4.852 -8.660) 10.540 17.920 ( -6.024 -1.886 10.397) 12.163 17.984 ( -0.284 -4.871 8.710) 9.984 19.013 ( -0.817 6.732 -2.433) 7.204 19.152 ( 5.117 -0.656 -7.653) 9.230 20.860 ( 5.243 5.746 9.804) 12.515 21.035 ( 1.279 -0.734 7.890) 8.027 21.351 ( -4.482 8.698 -8.957) 13.265 21.486 ( -7.229 0.941 -5.949) 9.409 21.652 ( -8.011 2.878 0.191) 8.514 21.807 ( 3.773 0.895 0.599) 3.924 21.962 ( 2.805 -6.529 -5.246) 8.833 22.054 ( 4.242 -3.929 -3.984) 7.022 22.456 ( -6.441 14.291 4.453) 16.295 22.609 ( -0.108 3.076 2.132) 3.744 22.649 ( -2.410 6.344 -2.277) 7.158 22.883 ( 4.774 -1.688 4.817) 6.989 22.988 ( 2.175 0.725 -6.515) 6.906 23.030 ( -2.176 -4.320 -1.023) 4.944 23.417 ( 2.560 0.378 5.717) 6.275 23.556 ( 2.190 -4.774 -0.260) 5.259 23.642 ( 0.153 1.475 4.328) 4.575 23.743 ( -4.030 -1.218 0.568) 4.248 24.120 ( -1.322 7.457 3.098) 8.182 24.259 ( -1.902 -1.074 -4.216) 4.748 24.534 ( 6.731 3.729 1.154) 7.781 24.718 ( -3.434 1.593 -6.255) 7.311 24.999 ( -6.465 -5.293 7.034) 10.922 25.207 ( 5.745 -9.865 -2.387) 11.662 29.082 ( 0.422 6.041 0.977) 6.134 29.199 ( 0.001 6.466 -4.599) 7.934 29.435 ( 0.125 -4.536 2.955) 5.415 29.516 ( 0.417 -3.775 -0.853) 3.893 29.755 ( -0.382 -1.407 0.099) 1.461 29.762 ( -1.313 -1.442 0.443) 2.000 29.822 ( 0.349 -1.034 -0.203) 1.111 29.877 ( -0.465 -2.488 -1.064) 2.745 30.039 ( 0.442 1.602 3.888) 4.228 30.093 ( -1.293 -0.380 3.218) 3.488 30.170 ( 0.712 1.272 -1.022) 1.780 30.266 ( 4.713 -2.738 -2.248) 5.896 30.458 ( -3.582 8.674 4.463) 10.392 30.605 ( 2.145 5.969 -2.364) 6.769 30.685 ( -1.619 -0.628 6.518) 6.745 30.873 ( 2.587 -3.187 -1.632) 4.417 31.045 ( 3.226 2.482 8.931) 9.815 31.184 ( 0.196 -1.278 8.624) 8.720 31.492 ( 0.879 7.293 -3.033) 7.947 31.518 ( 1.848 1.733 3.122) 4.021 31.727 ( 0.662 4.560 -2.663) 5.322 31.877 ( 2.432 -3.235 -4.021) 5.705 31.957 ( -4.794 -3.433 -11.034) 12.510 32.177 ( -5.251 -9.911 -13.011) 17.178 32.644 ( 6.790 4.493 2.477) 8.510 32.735 ( -2.180 0.951 -1.848) 3.012 33.088 ( 0.327 -2.023 5.012) 5.415 33.163 ( -4.890 -4.915 1.312) 7.057 34.342 ( 1.797 6.191 12.412) 13.987 34.617 ( 3.110 -7.066 10.833) 13.302 34.973 ( 1.733 2.602 -16.629) 16.920 35.143 ( -5.448 -5.618 -13.010) 15.182 ======================= Grid point 107 (57/80) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -12.623 19.992 9.077) 25.326 2.814 ( 0.436 -1.935 -1.405) 2.431 2.911 ( -15.370 8.044 7.788) 19.016 3.124 ( 3.533 7.294 -9.041) 12.142 3.302 ( -0.987 -1.617 -4.105) 4.521 3.332 ( 2.267 0.412 -0.714) 2.412 3.457 ( 6.498 -5.396 -8.373) 11.893 3.622 ( 4.083 -2.465 -0.732) 4.825 3.793 ( -4.043 5.383 3.150) 7.433 3.917 ( -8.490 1.023 1.480) 8.679 4.120 ( -4.745 -1.120 -5.446) 7.309 4.242 ( 2.328 6.273 -4.060) 7.826 4.279 ( 2.458 6.145 7.945) 10.340 4.364 ( -11.459 -0.076 -11.391) 16.157 4.478 ( -0.932 8.631 -2.795) 9.120 4.509 ( 1.809 -6.886 2.926) 7.698 4.589 ( -1.953 -9.416 -2.096) 9.842 4.737 ( -10.815 7.917 5.152) 14.359 4.855 ( -4.915 -4.590 -3.953) 7.801 4.939 ( -1.948 -12.092 -5.903) 13.596 5.000 ( -3.478 8.483 -2.661) 9.546 5.118 ( -2.192 2.219 3.189) 4.461 5.348 ( 1.438 -0.359 5.575) 5.768 5.385 ( 0.032 10.469 6.704) 12.431 5.594 ( -4.109 3.771 1.605) 5.803 5.727 ( -3.115 -1.115 -2.324) 4.044 5.888 ( 5.924 3.079 5.314) 8.533 6.066 ( 2.852 -3.850 -4.765) 6.758 6.082 ( 3.208 -3.410 8.387) 9.606 6.212 ( 9.411 0.752 -3.774) 10.167 6.359 ( 5.032 3.004 1.106) 5.964 6.370 ( 4.071 0.065 10.201) 10.984 6.522 ( -2.735 3.128 1.017) 4.278 6.677 ( 0.654 1.356 -4.539) 4.783 6.693 ( 0.244 6.557 7.056) 9.635 6.928 ( 1.085 -4.841 -1.012) 5.063 7.028 ( 8.427 -5.679 2.638) 10.499 7.168 ( -0.201 2.923 0.485) 2.970 7.270 ( -3.035 0.735 0.336) 3.141 7.364 ( 0.422 -2.512 1.392) 2.902 7.531 ( 5.373 3.381 -7.870) 10.112 7.668 ( 3.390 2.139 4.130) 5.756 7.755 ( 2.522 3.439 -3.732) 5.667 7.913 ( 15.636 -3.863 2.733) 16.337 7.951 ( -0.615 -11.091 0.415) 11.116 8.158 ( -5.215 -18.716 -1.857) 19.517 8.405 ( -0.733 3.800 3.377) 5.136 8.617 ( -0.565 1.734 -13.415) 13.538 8.751 ( 4.084 6.079 -6.173) 9.578 8.894 ( 8.207 -1.152 -0.101) 8.288 9.093 ( -3.559 -2.887 -0.089) 4.584 9.207 ( 1.102 -6.194 5.089) 8.092 9.691 ( -4.798 6.241 6.270) 10.064 9.720 ( -5.551 2.599 3.788) 7.206 9.806 ( -1.521 2.607 4.688) 5.576 9.974 ( -0.703 4.077 -9.850) 10.684 10.419 ( -2.976 1.881 -1.653) 3.889 10.658 ( -2.874 0.144 -2.440) 3.773 10.907 ( -4.624 9.812 8.556) 13.815 11.161 ( 1.177 -0.541 0.874) 1.563 11.332 ( -0.273 -5.948 3.789) 7.058 11.431 ( -3.025 -6.985 -3.432) 8.350 11.823 ( -3.089 -3.650 3.389) 5.861 11.927 ( -2.521 -5.675 1.070) 6.301 12.277 ( 2.591 6.087 3.390) 7.433 12.466 ( 5.637 -2.437 2.343) 6.573 12.652 ( -1.868 1.421 4.008) 4.644 12.694 ( 2.213 -2.670 0.194) 3.473 12.954 ( -1.791 1.283 -13.570) 13.747 13.151 ( 0.597 -8.688 -9.380) 12.799 13.793 ( -9.331 2.104 3.389) 10.148 13.896 ( -6.212 -2.692 2.932) 7.378 14.172 ( -2.770 -0.100 -3.216) 4.246 14.261 ( -8.955 -0.480 -5.217) 10.375 14.336 ( 2.534 1.972 -1.636) 3.604 14.538 ( -0.610 -9.256 -5.312) 10.689 14.672 ( 1.493 3.828 -1.727) 4.457 14.810 ( 4.065 0.057 -3.274) 5.220 14.846 ( 3.539 9.800 -0.956) 10.463 14.986 ( 1.707 5.428 -1.976) 6.024 15.048 ( 4.083 3.928 -3.735) 6.786 15.183 ( 7.737 -1.671 0.589) 7.937 15.227 ( -1.487 0.240 3.886) 4.168 15.458 ( 1.829 -2.843 -1.788) 3.824 15.726 ( 0.374 0.554 1.614) 1.747 15.759 ( -5.614 -0.561 1.209) 5.770 16.082 ( -8.735 5.049 0.933) 10.132 16.158 ( 2.202 1.186 3.751) 4.508 16.260 ( -4.177 -3.802 4.714) 7.356 16.444 ( -2.077 -11.740 0.848) 11.953 16.567 ( 4.164 -0.103 1.318) 4.369 16.672 ( 2.771 -1.914 1.208) 3.578 16.853 ( 2.326 -3.596 -0.769) 4.351 16.904 ( 7.171 -5.798 -1.998) 9.436 17.195 ( 13.920 -1.244 2.268) 14.159 17.418 ( 17.168 -6.219 -8.560) 20.167 17.815 ( -2.208 1.021 10.614) 10.889 17.948 ( -2.919 -4.593 9.511) 10.958 18.907 ( -8.962 9.861 -3.252) 13.716 19.169 ( -3.745 -4.076 -7.036) 8.952 20.884 ( -4.380 5.210 5.848) 8.974 20.994 ( -3.652 -0.249 5.523) 6.626 21.253 ( -5.170 1.126 -0.078) 5.292 21.328 ( -5.456 -2.083 -6.104) 8.448 21.552 ( 0.234 8.123 1.307) 8.231 21.885 ( 2.898 -0.350 0.177) 2.925 22.011 ( 0.551 -1.228 -3.341) 3.602 22.161 ( 4.514 0.031 -3.909) 5.971 22.322 ( -4.339 8.767 2.812) 10.178 22.502 ( -5.419 0.385 3.148) 6.278 22.683 ( 1.383 6.051 -1.748) 6.448 22.904 ( -2.005 -2.820 1.648) 3.833 22.990 ( -2.642 0.981 -6.247) 6.853 23.001 ( -0.827 -1.447 0.478) 1.734 23.409 ( -4.433 -3.138 2.270) 5.886 23.546 ( -3.462 -6.040 -2.189) 7.298 23.635 ( -4.306 2.537 3.816) 6.288 23.655 ( 1.589 1.442 5.634) 6.029 24.155 ( 4.205 9.128 4.436) 10.985 24.263 ( 1.450 1.523 -0.573) 2.180 24.481 ( -3.164 2.195 -3.365) 5.114 24.695 ( -6.057 -6.520 -1.473) 9.020 25.025 ( 11.584 5.889 2.582) 13.249 25.412 ( 9.994 -11.291 -1.516) 15.155 29.117 ( 2.563 6.329 0.815) 6.877 29.221 ( 1.755 7.870 -4.798) 9.383 29.460 ( 2.314 -5.005 2.751) 6.162 29.537 ( 1.408 -4.128 -0.492) 4.389 29.737 ( -1.096 -3.308 -0.178) 3.489 29.748 ( -0.209 -2.460 -0.003) 2.468 29.837 ( 0.727 -0.172 0.482) 0.889 29.873 ( 0.591 -1.596 0.314) 1.731 30.054 ( 0.798 2.035 2.404) 3.249 30.093 ( 1.442 0.000 2.099) 2.547 30.211 ( 1.879 3.946 -3.042) 5.325 30.321 ( 0.010 -0.018 -0.030) 0.036 30.405 ( -0.295 5.967 3.674) 7.014 30.618 ( -3.754 0.478 3.645) 5.254 30.651 ( 2.069 1.185 -0.167) 2.390 30.880 ( -2.158 -3.988 -2.715) 5.285 31.100 ( 2.027 2.261 7.921) 8.483 31.137 ( -3.977 2.079 5.775) 7.314 31.512 ( 0.074 11.018 -4.079) 11.749 31.612 ( 6.451 0.536 4.567) 7.922 31.736 ( -1.014 0.393 -5.833) 5.934 31.861 ( -4.864 -3.811 -11.366) 12.937 31.968 ( 5.164 -7.550 1.913) 9.345 32.114 ( 2.400 -6.809 -7.083) 10.114 32.600 ( -6.310 2.640 -1.245) 6.953 32.771 ( 2.131 -3.376 -2.169) 4.543 33.208 ( 12.607 1.530 5.849) 13.981 33.294 ( 13.668 -1.995 3.451) 14.238 34.322 ( -3.464 6.860 10.072) 12.669 34.604 ( -4.711 -7.063 10.694) 13.654 34.906 ( -7.893 -0.844 -17.881) 19.564 34.943 ( -12.340 -2.587 -11.519) 17.078 ======================= Grid point 108 (58/80) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -1.061 27.037 19.760) 33.505 2.449 ( -19.590 22.093 18.891) 35.053 2.891 ( 0.960 -4.637 -5.784) 7.475 3.179 ( 2.062 -1.077 -11.461) 11.695 3.301 ( 1.036 7.026 -7.734) 10.500 3.423 ( 2.819 -5.136 2.376) 6.323 3.544 ( -1.509 -5.803 3.256) 6.823 3.634 ( -3.855 -3.087 -2.626) 5.594 3.717 ( -4.779 -3.801 -0.838) 6.163 3.811 ( 5.250 -0.252 0.277) 5.263 4.034 ( -1.311 0.174 -1.176) 1.770 4.089 ( -7.829 -0.223 -8.193) 11.334 4.196 ( -6.430 5.323 6.315) 10.467 4.283 ( -4.158 0.075 -3.478) 5.422 4.411 ( -8.220 6.510 1.431) 10.583 4.454 ( -0.308 -0.117 -6.506) 6.514 4.534 ( -0.284 1.044 6.087) 6.182 4.677 ( 0.202 -1.992 -6.853) 7.139 4.741 ( -3.844 10.851 1.267) 11.581 4.855 ( -3.868 -8.116 -0.742) 9.021 4.975 ( 0.167 -6.028 -8.667) 10.558 5.153 ( 4.217 6.001 -4.668) 8.694 5.389 ( -3.656 4.439 1.946) 6.071 5.424 ( 0.460 3.153 8.159) 8.759 5.536 ( 7.449 -7.936 6.224) 12.538 5.703 ( 0.433 -0.806 0.398) 0.998 5.995 ( -2.458 -2.156 -3.093) 4.500 6.061 ( 0.447 -6.684 -3.178) 7.414 6.133 ( 1.691 5.910 4.685) 7.729 6.316 ( -1.952 0.259 -4.193) 4.632 6.348 ( 0.157 0.151 -1.619) 1.634 6.374 ( -2.187 -0.847 7.388) 7.752 6.612 ( 7.727 -3.143 8.590) 11.974 6.654 ( 2.642 8.057 5.305) 10.002 6.869 ( 2.287 1.812 7.818) 8.345 6.914 ( 2.245 5.376 -7.982) 9.881 7.147 ( 3.046 0.836 0.956) 3.300 7.207 ( 8.039 5.027 1.114) 9.547 7.266 ( 3.551 -2.446 -5.211) 6.763 7.475 ( 2.494 -2.081 2.164) 3.903 7.621 ( 3.962 2.792 1.863) 5.193 7.750 ( 5.126 -1.176 -7.406) 9.083 7.805 ( 2.582 0.360 1.263) 2.897 7.938 ( -1.801 -5.128 1.844) 5.739 8.083 ( -2.988 -7.363 -0.920) 7.999 8.217 ( 1.967 -5.594 1.785) 6.193 8.433 ( -0.519 1.943 1.287) 2.388 8.630 ( 10.077 -4.496 -6.123) 12.619 8.772 ( -0.058 6.402 -6.123) 8.859 8.872 ( -5.497 0.840 1.676) 5.807 9.126 ( 4.083 -2.232 -2.993) 5.532 9.188 ( -3.653 -4.994 6.499) 8.973 9.603 ( -3.523 0.608 5.038) 6.178 9.616 ( -2.695 -0.032 4.184) 4.976 9.769 ( -0.952 6.683 -0.621) 6.779 9.959 ( -1.650 5.263 -9.408) 10.905 10.403 ( 1.480 5.238 -3.529) 6.487 10.538 ( -7.359 5.140 1.108) 9.044 10.886 ( 3.073 2.011 3.600) 5.142 11.164 ( -2.522 -10.973 -1.362) 11.341 11.244 ( -2.544 -1.122 4.003) 4.874 11.418 ( -0.857 -2.488 -5.153) 5.786 11.748 ( -3.116 -1.497 9.740) 10.335 11.934 ( 1.725 -9.958 -1.853) 10.275 12.279 ( -2.281 10.318 7.550) 12.987 12.520 ( -0.670 -2.188 4.066) 4.665 12.649 ( 1.642 0.481 2.432) 2.974 12.740 ( 1.806 -4.973 -0.387) 5.305 12.933 ( -0.055 1.357 -10.814) 10.899 13.134 ( -1.357 -8.405 -8.622) 12.117 13.628 ( -5.426 2.836 0.321) 6.131 13.774 ( -4.528 -4.560 -0.165) 6.428 14.074 ( -7.022 0.396 -7.606) 10.359 14.096 ( -4.719 -1.130 -6.052) 7.757 14.357 ( 0.185 1.227 -2.523) 2.812 14.483 ( -1.971 -4.622 -6.238) 8.010 14.735 ( 2.107 5.528 3.922) 7.098 14.844 ( -0.591 0.978 1.872) 2.193 14.959 ( 5.841 5.527 -2.832) 8.526 15.025 ( 1.768 2.531 -2.058) 3.711 15.189 ( 6.712 2.453 -1.232) 7.252 15.230 ( 2.537 6.768 2.561) 7.668 15.299 ( 2.962 -2.624 0.917) 4.062 15.473 ( -2.628 2.268 -2.990) 4.582 15.599 ( -3.323 1.553 6.440) 7.411 15.787 ( 3.326 -4.712 2.635) 6.341 15.922 ( -5.510 -1.260 -0.402) 5.667 16.171 ( -6.499 -7.284 0.707) 9.788 16.241 ( 4.215 1.549 -1.099) 4.623 16.382 ( -1.529 -8.970 -1.571) 9.234 16.623 ( 1.935 -2.997 1.487) 3.864 16.699 ( 1.364 -2.576 3.748) 4.748 17.022 ( 8.087 -0.035 -0.656) 8.114 17.079 ( 5.839 -0.760 -0.493) 5.909 17.408 ( 5.286 -1.663 1.440) 5.725 17.645 ( 3.587 -8.928 -2.237) 9.878 17.925 ( 4.021 2.154 11.169) 12.065 17.996 ( 17.655 -0.083 -0.556) 17.664 18.653 ( -13.538 10.326 -1.897) 17.132 18.982 ( -13.408 -7.244 -6.325) 16.500 20.749 ( -6.131 4.294 0.527) 7.503 20.879 ( -6.746 -2.316 1.038) 7.207 21.165 ( -2.059 -0.270 4.326) 4.798 21.276 ( 0.667 -4.610 -2.689) 5.378 21.659 ( 8.590 9.932 4.089) 13.753 21.900 ( -1.587 6.472 -1.105) 6.755 21.982 ( -1.848 0.930 1.206) 2.394 22.214 ( 0.174 -0.969 -0.412) 1.067 22.285 ( -0.048 1.607 1.961) 2.536 22.423 ( -2.067 -1.895 0.525) 2.853 22.682 ( -1.083 5.361 -1.827) 5.766 22.852 ( -6.593 0.149 -2.536) 7.065 22.890 ( -2.249 -2.394 -8.663) 9.265 22.945 ( -3.095 -0.420 0.742) 3.210 23.300 ( -3.025 -2.840 5.106) 6.580 23.447 ( -4.579 -7.674 0.260) 8.940 23.599 ( 0.280 7.043 4.594) 8.414 23.692 ( 1.204 3.462 3.178) 4.851 24.245 ( 2.456 10.327 7.703) 13.116 24.310 ( 3.074 3.076 0.199) 4.353 24.454 ( -1.538 -2.984 -1.364) 3.624 24.606 ( 0.037 -4.595 -4.223) 6.241 25.289 ( 10.939 4.359 1.249) 11.841 25.578 ( 4.814 -8.851 -2.495) 10.379 29.171 ( 1.831 5.874 0.610) 6.183 29.260 ( 1.900 8.776 -5.085) 10.319 29.527 ( 3.104 -7.160 3.625) 8.605 29.578 ( 2.720 -1.408 -0.158) 3.067 29.702 ( -1.757 -3.094 -1.077) 3.717 29.755 ( 0.349 -1.838 -0.428) 1.919 29.847 ( 0.535 1.500 0.387) 1.639 29.906 ( 1.632 -1.547 0.692) 2.353 30.072 ( 0.905 3.192 2.162) 3.960 30.129 ( 1.240 0.508 1.589) 2.079 30.220 ( -0.228 3.202 -0.361) 3.230 30.295 ( -2.467 0.399 0.677) 2.589 30.442 ( 3.242 4.085 2.445) 5.760 30.563 ( -1.099 0.988 -0.565) 1.582 30.687 ( 1.133 -1.812 -0.447) 2.183 30.801 ( -4.523 -3.541 -2.763) 6.374 31.053 ( -3.353 3.972 5.649) 7.677 31.138 ( 1.427 -0.469 5.212) 5.424 31.419 ( -9.060 6.669 -4.585) 12.148 31.637 ( -6.822 -5.604 -10.564) 13.767 31.769 ( 4.385 0.534 0.018) 4.418 31.818 ( 5.268 0.986 1.578) 5.587 32.061 ( 2.972 -2.207 -3.251) 4.927 32.260 ( 6.833 1.809 1.743) 7.280 32.497 ( -2.055 -4.239 3.103) 5.641 32.820 ( 3.391 -12.479 -2.141) 13.108 33.548 ( 15.822 5.089 3.490) 16.983 33.667 ( 19.658 -1.495 3.462) 20.016 34.240 ( -2.326 5.489 4.315) 7.359 34.431 ( -10.421 -4.839 4.249) 12.250 34.636 ( -15.032 -0.517 -6.003) 16.194 34.648 ( -15.062 -0.931 -14.044) 20.615 ======================= Grid point 109 (59/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 3.711 -22.324 12.848) 26.023 2.615 ( 3.711 22.324 12.848) 26.023 2.812 ( 2.355 -30.557 6.310) 31.290 2.812 ( 2.355 30.557 6.310) 31.290 3.503 ( 2.776 -6.127 -0.933) 6.791 3.503 ( 2.776 6.127 -0.933) 6.791 3.557 ( -3.348 -2.692 -7.044) 8.251 3.557 ( -3.348 2.692 -7.044) 8.251 3.693 ( -0.668 -8.262 -7.794) 11.378 3.693 ( -0.668 8.262 -7.794) 11.378 3.922 ( 0.535 -1.052 -7.921) 8.008 3.922 ( 0.535 1.052 -7.921) 8.008 4.164 ( 0.857 -8.478 -3.337) 9.151 4.164 ( 0.857 8.478 -3.337) 9.151 4.397 ( -0.738 -2.961 -6.284) 6.986 4.397 ( -0.738 2.961 -6.284) 6.986 4.537 ( -2.202 -0.675 -0.711) 2.410 4.537 ( -2.202 0.675 -0.711) 2.410 4.918 ( -0.474 -5.243 -3.759) 6.469 4.918 ( -0.474 5.243 -3.759) 6.469 5.176 ( -2.238 -24.236 11.027) 26.721 5.176 ( -2.238 24.236 11.027) 26.721 5.357 ( 0.661 -7.726 10.570) 13.109 5.357 ( 0.661 7.726 10.570) 13.109 5.551 ( 1.313 -3.804 5.715) 6.990 5.551 ( 1.313 3.804 5.715) 6.990 5.987 ( -7.221 -5.982 -4.199) 10.274 5.987 ( -7.221 5.982 -4.199) 10.274 6.185 ( 5.745 -11.092 -4.007) 13.119 6.185 ( 5.745 11.092 -4.007) 13.119 6.382 ( 2.346 -2.799 -2.531) 4.443 6.382 ( 2.346 2.799 -2.531) 4.443 6.771 ( 3.721 -4.642 8.102) 10.052 6.771 ( 3.721 4.642 8.102) 10.052 7.041 ( -2.402 -13.332 -5.342) 14.562 7.041 ( -2.402 13.332 -5.342) 14.562 7.232 ( 4.935 -1.034 -0.428) 5.060 7.232 ( 4.935 1.034 -0.428) 5.060 7.442 ( 3.090 -6.368 5.312) 8.850 7.442 ( 3.090 6.368 5.312) 8.850 7.715 ( -3.771 -6.371 5.387) 9.156 7.715 ( -3.771 6.371 5.387) 9.156 7.769 ( -11.030 -2.895 2.766) 11.734 7.769 ( -11.030 2.895 2.766) 11.734 7.997 ( 0.618 -3.932 -1.599) 4.290 7.997 ( 0.618 3.932 -1.599) 4.290 8.620 ( 2.388 -5.194 -2.174) 6.116 8.620 ( 2.388 5.194 -2.174) 6.116 8.777 ( -13.096 -5.563 4.781) 15.010 8.777 ( -13.096 5.563 4.781) 15.010 9.189 ( 11.874 -4.163 -4.310) 13.300 9.189 ( 11.874 4.163 -4.310) 13.300 9.586 ( 3.776 -3.127 -1.563) 5.146 9.586 ( 3.776 3.127 -1.563) 5.146 9.946 ( 1.496 -2.890 -7.173) 7.876 9.946 ( 1.496 2.890 -7.173) 7.876 10.528 ( -2.960 -4.777 1.562) 5.833 10.528 ( -2.960 4.777 1.562) 5.833 10.953 ( 3.849 -10.337 -3.032) 11.439 10.953 ( 3.849 10.337 -3.032) 11.439 11.283 ( -2.101 -5.944 -0.442) 6.320 11.283 ( -2.101 5.944 -0.442) 6.320 11.786 ( 1.119 -8.383 3.503) 9.155 11.786 ( 1.119 8.383 3.503) 9.155 12.379 ( -3.828 -7.507 9.586) 12.764 12.379 ( -3.828 7.507 9.586) 12.764 12.702 ( 0.467 -2.032 1.098) 2.357 12.702 ( 0.467 2.032 1.098) 2.357 12.985 ( -0.334 -4.937 -8.912) 10.194 12.985 ( -0.334 4.937 -8.912) 10.194 13.646 ( 1.192 -4.087 -1.237) 4.433 13.646 ( 1.192 4.087 -1.237) 4.433 13.979 ( -1.707 -1.064 -8.678) 8.908 13.979 ( -1.707 1.064 -8.678) 8.908 14.422 ( 1.738 -3.577 -5.476) 6.768 14.422 ( 1.738 3.577 -5.476) 6.768 14.804 ( -2.441 -3.581 5.010) 6.625 14.804 ( -2.441 3.581 5.010) 6.625 15.110 ( 2.200 -1.607 -2.588) 3.758 15.110 ( 2.200 1.607 -2.588) 3.758 15.304 ( 0.356 -2.956 -0.716) 3.062 15.304 ( 0.356 2.956 -0.716) 3.062 15.456 ( -0.700 -1.434 1.472) 2.171 15.456 ( -0.700 1.434 1.472) 2.171 15.639 ( 2.588 -7.946 1.600) 8.508 15.639 ( 2.588 7.946 1.600) 8.508 15.868 ( -1.531 -2.346 1.683) 3.268 15.868 ( -1.531 2.346 1.683) 3.268 16.330 ( -0.599 -0.220 -0.191) 0.666 16.330 ( -0.599 0.220 -0.191) 0.666 16.648 ( 0.322 -3.125 4.376) 5.387 16.648 ( 0.322 3.125 4.376) 5.387 17.079 ( -5.103 -2.195 2.087) 5.934 17.079 ( -5.103 2.195 2.087) 5.934 17.527 ( 3.048 -5.717 -4.563) 7.925 17.527 ( 3.048 5.717 -4.563) 7.925 18.289 ( 9.012 -10.812 1.594) 14.165 18.289 ( 9.012 10.812 1.594) 14.165 18.512 ( -8.865 -3.737 -0.975) 9.669 18.512 ( -8.865 3.737 -0.975) 9.669 20.702 ( -2.986 -3.527 2.695) 5.350 20.702 ( -2.986 3.527 2.695) 5.350 21.249 ( 5.171 -5.105 -1.862) 7.501 21.249 ( 5.171 5.105 -1.862) 7.501 21.940 ( 1.863 -3.391 0.866) 3.965 21.940 ( 1.863 3.391 0.866) 3.965 22.076 ( -0.422 -7.327 1.536) 7.499 22.076 ( -0.422 7.327 1.536) 7.499 22.319 ( 0.780 -1.668 0.543) 1.919 22.319 ( 0.780 1.668 0.543) 1.919 22.752 ( 0.431 -6.252 -2.622) 6.793 22.752 ( 0.431 6.252 -2.622) 6.793 22.902 ( -0.995 -5.125 -6.567) 8.390 22.902 ( -0.995 5.125 -6.567) 8.390 23.256 ( -0.514 -2.189 5.034) 5.513 23.256 ( -0.514 2.189 5.034) 5.513 23.732 ( 1.237 -2.647 3.761) 4.762 23.732 ( 1.237 2.647 3.761) 4.762 24.323 ( -2.034 -2.310 0.689) 3.154 24.323 ( -2.034 2.310 0.689) 3.154 24.522 ( 0.535 -7.945 1.875) 8.181 24.522 ( 0.535 7.945 1.875) 8.181 25.500 ( 0.020 -4.143 -2.177) 4.681 25.500 ( 0.020 4.143 -2.177) 4.681 29.300 ( -0.930 -6.598 0.403) 6.676 29.300 ( -0.930 6.598 0.403) 6.676 29.552 ( 2.146 -6.809 -1.571) 7.310 29.552 ( 2.146 6.809 -1.571) 7.310 29.717 ( -0.334 -2.166 0.094) 2.193 29.717 ( -0.334 2.166 0.094) 2.193 29.893 ( -0.343 -0.473 0.401) 0.708 29.893 ( -0.343 0.473 0.401) 0.708 30.127 ( -0.419 -1.288 2.901) 3.201 30.127 ( -0.419 1.288 2.901) 3.201 30.235 ( -1.130 -2.061 1.265) 2.669 30.235 ( -1.130 2.061 1.265) 2.669 30.572 ( 1.926 -1.957 0.074) 2.746 30.572 ( 1.926 1.957 0.074) 2.746 30.671 ( -2.067 -0.459 -2.187) 3.044 30.671 ( -2.067 0.459 -2.187) 3.044 31.073 ( -2.911 -4.689 5.683) 7.922 31.073 ( -2.911 4.689 5.683) 7.922 31.369 ( -2.068 -8.013 -5.615) 10.000 31.369 ( -2.068 8.013 -5.615) 10.000 31.917 ( 3.468 -3.146 -4.085) 6.214 31.917 ( 3.468 3.146 -4.085) 6.214 32.285 ( 4.457 -11.002 8.127) 14.386 32.285 ( 4.457 11.002 8.127) 14.386 32.536 ( -4.026 -16.030 -3.090) 16.814 32.536 ( -4.026 16.030 -3.090) 16.814 33.866 ( 2.800 -2.636 2.974) 4.861 33.866 ( 2.800 2.636 2.974) 4.861 34.204 ( -9.591 -1.456 -3.890) 10.451 34.204 ( -9.591 1.456 -3.890) 10.451 34.483 ( 7.237 -2.985 -3.080) 8.413 34.483 ( 7.237 2.985 -3.080) 8.413 ======================= Grid point 111 (60/80) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 14.409 -22.824 4.654) 27.390 2.826 ( 14.409 22.824 4.654) 27.390 2.946 ( 7.591 -20.239 3.813) 21.950 2.946 ( 7.591 20.239 3.813) 21.950 3.358 ( -7.303 -3.106 6.635) 10.345 3.358 ( -7.303 3.106 6.635) 10.345 3.477 ( -5.559 -8.825 -15.150) 18.393 3.477 ( -5.559 8.825 -15.150) 18.393 3.757 ( -0.187 -9.945 0.507) 9.960 3.757 ( -0.187 9.945 0.507) 9.960 4.023 ( 9.991 -8.630 -14.542) 19.641 4.023 ( 9.991 8.630 -14.542) 19.641 4.253 ( 3.816 -10.108 -3.914) 11.491 4.253 ( 3.816 10.108 -3.914) 11.491 4.374 ( -0.002 -3.366 3.600) 4.928 4.374 ( -0.002 3.366 3.600) 4.928 4.599 ( 7.579 -2.667 -7.262) 10.830 4.599 ( 7.579 2.667 -7.262) 10.830 4.827 ( -5.239 -9.929 1.638) 11.345 4.827 ( -5.239 9.929 1.638) 11.345 5.213 ( 5.958 -14.067 4.269) 15.862 5.213 ( 5.958 14.067 4.269) 15.862 5.382 ( -0.395 -9.953 11.420) 15.154 5.382 ( -0.395 9.953 11.420) 15.154 5.558 ( 0.858 -2.439 2.892) 3.879 5.558 ( 0.858 2.439 2.892) 3.879 5.850 ( -3.069 -5.466 -2.023) 6.587 5.850 ( -3.069 5.466 -2.023) 6.587 6.327 ( -1.547 -8.390 5.602) 10.206 6.327 ( -1.547 8.390 5.602) 10.206 6.401 ( 4.231 -9.601 -4.671) 11.485 6.401 ( 4.231 9.601 -4.671) 11.485 6.734 ( -5.985 -9.060 5.191) 12.035 6.734 ( -5.985 9.060 5.191) 12.035 6.996 ( -6.594 -1.843 3.496) 7.688 6.996 ( -6.594 1.843 3.496) 7.688 7.193 ( -14.977 -1.299 1.528) 15.111 7.193 ( -14.977 1.299 1.528) 15.111 7.330 ( 3.571 -4.021 -3.256) 6.287 7.330 ( 3.571 4.021 -3.256) 6.287 7.647 ( 1.665 -13.155 -2.220) 13.445 7.647 ( 1.665 13.155 -2.220) 13.445 7.745 ( 2.307 -8.253 0.426) 8.580 7.745 ( 2.307 8.253 0.426) 8.580 7.997 ( -4.130 -3.292 3.969) 6.606 7.997 ( -4.130 3.292 3.969) 6.606 8.441 ( -11.797 -5.097 1.963) 13.000 8.441 ( -11.797 5.097 1.963) 13.000 8.750 ( 7.660 -0.892 -1.077) 7.787 8.750 ( 7.660 0.892 -1.077) 7.787 9.270 ( -3.710 -5.859 0.899) 6.992 9.270 ( -3.710 5.859 0.899) 6.992 9.749 ( 5.697 -5.392 -4.560) 9.074 9.749 ( 5.697 5.392 -4.560) 9.074 10.016 ( 5.925 -3.035 -5.899) 8.895 10.016 ( 5.925 3.035 -5.899) 8.895 10.477 ( -0.527 -7.515 0.334) 7.541 10.477 ( -0.527 7.515 0.334) 7.541 11.062 ( 4.733 -9.457 -1.808) 10.729 11.062 ( 4.733 9.457 -1.808) 10.729 11.233 ( -1.584 -5.057 0.827) 5.364 11.233 ( -1.584 5.057 0.827) 5.364 11.843 ( 4.403 -9.690 0.270) 10.647 11.843 ( 4.403 9.690 0.270) 10.647 12.300 ( -3.993 -7.825 11.029) 14.100 12.300 ( -3.993 7.825 11.029) 14.100 12.676 ( -2.197 -2.694 2.982) 4.580 12.676 ( -2.197 2.694 2.982) 4.580 12.986 ( 0.574 -4.217 -10.748) 11.560 12.986 ( 0.574 4.217 -10.748) 11.560 13.735 ( 6.423 -3.696 1.714) 7.606 13.735 ( 6.423 3.696 1.714) 7.606 14.031 ( 6.499 -2.055 -9.788) 11.927 14.031 ( 6.499 2.055 -9.788) 11.927 14.455 ( 0.764 -3.943 -4.645) 6.141 14.455 ( 0.764 3.943 -4.645) 6.141 14.746 ( -2.787 -5.724 2.372) 6.795 14.746 ( -2.787 5.724 2.372) 6.795 15.090 ( -4.157 -1.726 -1.388) 4.710 15.090 ( -4.157 1.726 -1.388) 4.710 15.282 ( -1.779 -1.267 -0.909) 2.366 15.282 ( -1.779 1.267 -0.909) 2.366 15.385 ( -4.363 -10.855 0.461) 11.708 15.385 ( -4.363 10.855 0.461) 11.708 15.693 ( 2.389 -4.344 2.483) 5.545 15.693 ( 2.389 4.344 2.483) 5.545 15.992 ( 10.089 -3.301 0.354) 10.621 15.992 ( 10.089 3.301 0.354) 10.621 16.271 ( -2.879 -3.682 1.629) 4.949 16.271 ( -2.879 3.682 1.629) 4.949 16.627 ( -2.453 -2.502 3.363) 4.856 16.627 ( -2.453 2.502 3.363) 4.856 16.902 ( -10.152 -1.444 1.453) 10.357 16.902 ( -10.152 1.444 1.453) 10.357 17.530 ( -4.721 -4.816 -0.190) 6.747 17.530 ( -4.721 4.816 -0.190) 6.747 18.102 ( -11.231 -9.930 -1.180) 15.037 18.102 ( -11.231 9.930 -1.180) 15.037 18.722 ( 14.463 -2.594 0.593) 14.706 18.722 ( 14.463 2.594 0.593) 14.706 20.711 ( 3.698 -5.140 4.245) 7.624 20.711 ( 3.698 5.140 4.245) 7.624 21.401 ( 8.442 -6.202 -4.823) 11.532 21.401 ( 8.442 6.202 -4.823) 11.532 21.920 ( -3.698 -5.484 -1.479) 6.778 21.920 ( -3.698 5.484 -1.479) 6.778 22.024 ( -4.266 -1.288 1.840) 4.821 22.024 ( -4.266 1.288 1.840) 4.821 22.431 ( 8.380 -2.932 -0.168) 8.880 22.431 ( 8.380 2.932 -0.168) 8.880 22.799 ( 2.749 -7.428 -0.325) 7.927 22.799 ( 2.749 7.428 -0.325) 7.927 22.894 ( 0.677 -5.388 -7.277) 9.080 22.894 ( 0.677 5.388 -7.277) 9.080 23.283 ( 2.725 -2.209 4.423) 5.645 23.283 ( 2.725 2.209 4.423) 5.645 23.752 ( 0.554 -2.231 2.870) 3.677 23.752 ( 0.554 2.231 2.870) 3.677 24.312 ( 1.738 -4.151 3.331) 5.599 24.312 ( 1.738 4.151 3.331) 5.599 24.471 ( -4.774 -6.693 0.305) 8.227 24.471 ( -4.774 6.693 0.305) 8.227 25.414 ( -7.614 -2.043 -1.747) 8.075 25.414 ( -7.614 2.043 -1.747) 8.075 29.269 ( -1.891 -7.062 0.799) 7.354 29.269 ( -1.891 7.062 0.799) 7.354 29.534 ( -3.702 -6.289 -2.002) 7.567 29.534 ( -3.702 6.289 -2.002) 7.567 29.733 ( 2.313 -2.742 -0.578) 3.633 29.733 ( 2.313 2.742 -0.578) 3.633 29.863 ( -2.164 -1.658 0.328) 2.746 29.863 ( -2.164 1.658 0.328) 2.746 30.111 ( -0.911 -1.154 1.528) 2.121 30.111 ( -0.911 1.154 1.528) 2.121 30.212 ( -1.865 -3.347 3.215) 5.001 30.212 ( -1.865 3.347 3.215) 5.001 30.604 ( 1.393 -1.068 1.523) 2.324 30.604 ( 1.393 1.068 1.523) 2.324 30.652 ( 0.968 -4.799 -1.231) 5.048 30.652 ( 0.968 4.799 -1.231) 5.048 31.027 ( -0.716 -5.619 6.878) 8.910 31.027 ( -0.716 5.619 6.878) 8.910 31.417 ( 4.609 -4.941 -2.994) 7.390 31.417 ( 4.609 4.941 -2.994) 7.390 31.934 ( -1.393 -1.796 -6.890) 7.255 31.934 ( -1.393 1.796 -6.890) 7.255 32.309 ( -5.912 -2.193 0.651) 6.339 32.309 ( -5.912 2.193 0.651) 6.339 32.452 ( 1.244 -6.117 1.303) 6.376 32.452 ( 1.244 6.117 1.303) 6.376 33.689 ( -16.554 -3.129 0.633) 16.859 33.689 ( -16.554 3.129 0.633) 16.859 34.169 ( 6.991 -5.373 5.390) 10.334 34.169 ( 6.991 5.373 5.390) 10.334 34.763 ( 13.942 -8.705 -9.156) 18.815 34.763 ( 13.942 8.705 -9.156) 18.815 ======================= Grid point 113 (61/80) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -7.963 -6.363 -1.624) 10.322 2.906 ( -7.963 6.363 -1.624) 10.322 3.100 ( 3.682 -5.933 -7.477) 10.230 3.100 ( 3.682 5.933 -7.477) 10.230 3.339 ( 2.241 -3.989 -4.415) 6.358 3.339 ( 2.241 3.989 -4.415) 6.358 3.487 ( 8.712 -8.028 -3.607) 12.384 3.487 ( 8.712 8.028 -3.607) 12.384 3.712 ( 1.228 -5.386 6.000) 8.156 3.712 ( 1.228 5.386 6.000) 8.156 4.218 ( 4.540 -7.356 1.288) 8.740 4.218 ( 4.540 7.356 1.288) 8.740 4.284 ( -0.099 -12.522 -2.184) 12.711 4.284 ( -0.099 12.522 -2.184) 12.711 4.410 ( 4.293 -1.164 -6.335) 7.741 4.410 ( 4.293 1.164 -6.335) 7.741 4.700 ( 1.500 -3.894 -5.718) 7.078 4.700 ( 1.500 3.894 -5.718) 7.078 4.804 ( 0.271 -3.928 -1.663) 4.274 4.804 ( 0.271 3.928 -1.663) 4.274 5.318 ( -1.158 -7.359 5.777) 9.427 5.318 ( -1.158 7.359 5.777) 9.427 5.430 ( 8.331 -4.147 -0.442) 9.317 5.430 ( 8.331 4.147 -0.442) 9.317 5.659 ( 8.814 -10.017 0.533) 13.354 5.659 ( 8.814 10.017 0.533) 13.354 5.860 ( 3.805 -6.522 3.518) 8.330 5.860 ( 3.805 6.522 3.518) 8.330 6.146 ( -9.489 -18.531 17.523) 27.212 6.146 ( -9.489 18.531 17.523) 27.212 6.403 ( -10.775 -10.811 -1.785) 15.367 6.403 ( -10.775 10.811 -1.785) 15.367 6.612 ( -4.917 -6.771 1.647) 8.529 6.612 ( -4.917 6.771 1.647) 8.529 6.778 ( -2.445 -4.789 1.703) 5.640 6.778 ( -2.445 4.789 1.703) 5.640 7.018 ( -5.920 -4.367 1.966) 7.615 7.018 ( -5.920 4.367 1.966) 7.615 7.401 ( 0.557 -3.358 2.063) 3.980 7.401 ( 0.557 3.358 2.063) 3.980 7.634 ( -0.764 -16.237 -3.794) 16.692 7.634 ( -0.764 16.237 -3.794) 16.692 7.794 ( -5.259 -7.742 -2.399) 9.662 7.794 ( -5.259 7.742 -2.399) 9.662 7.967 ( 8.689 -5.088 -2.797) 10.450 7.967 ( 8.689 5.088 -2.797) 10.450 8.274 ( -3.343 -3.595 3.222) 5.871 8.274 ( -3.343 3.595 3.222) 5.871 8.914 ( 5.779 -2.931 -2.292) 6.873 8.914 ( 5.779 2.931 -2.292) 6.873 9.103 ( -10.925 -9.308 0.677) 14.369 9.103 ( -10.925 9.308 0.677) 14.369 9.813 ( 1.969 -4.473 0.108) 4.889 9.813 ( 1.969 4.473 0.108) 4.889 10.087 ( -0.029 -5.804 -2.535) 6.333 10.087 ( -0.029 5.804 -2.535) 6.333 10.528 ( 3.767 -5.552 -3.952) 7.786 10.528 ( 3.767 5.552 -3.952) 7.786 11.101 ( -0.058 -6.904 -0.016) 6.904 11.101 ( -0.058 6.904 -0.016) 6.904 11.256 ( 2.526 -4.420 3.730) 6.311 11.256 ( 2.526 4.420 3.730) 6.311 11.964 ( 5.907 -4.642 -5.038) 9.045 11.964 ( 5.907 4.642 -5.038) 9.045 12.200 ( -4.966 -4.360 12.094) 13.782 12.200 ( -4.966 4.360 12.094) 13.782 12.657 ( 0.895 -4.290 3.335) 5.507 12.657 ( 0.895 4.290 3.335) 5.507 12.998 ( 0.663 -2.049 -11.716) 11.913 12.998 ( 0.663 2.049 -11.716) 11.913 13.889 ( 6.949 -2.390 4.909) 8.838 13.889 ( 6.949 2.390 4.909) 8.838 14.209 ( 8.600 -4.728 -10.012) 14.021 14.209 ( 8.600 4.728 -10.012) 14.021 14.408 ( -5.224 -4.270 -2.483) 7.190 14.408 ( -5.224 4.270 -2.483) 7.190 14.733 ( 2.063 -4.977 -2.847) 6.094 14.733 ( 2.063 4.977 -2.847) 6.094 14.969 ( -5.290 -2.041 2.991) 6.410 14.969 ( -5.290 2.041 2.991) 6.410 15.187 ( -6.694 -4.696 -1.108) 8.252 15.187 ( -6.694 4.696 -1.108) 8.252 15.335 ( -0.895 -4.339 -2.019) 4.868 15.335 ( -0.895 4.339 -2.019) 4.868 15.750 ( 1.964 -8.868 0.329) 9.089 15.750 ( 1.964 8.868 0.329) 9.089 16.108 ( 2.105 -6.100 3.315) 7.254 16.108 ( 2.105 6.100 3.315) 7.254 16.379 ( 11.283 -1.654 -0.129) 11.404 16.379 ( 11.283 1.654 -0.129) 11.404 16.542 ( -4.870 -3.162 5.071) 7.709 16.542 ( -4.870 3.162 5.071) 7.709 16.699 ( -7.221 -2.478 1.164) 7.723 16.699 ( -7.221 2.478 1.164) 7.723 17.308 ( -13.965 -5.352 -2.412) 15.149 17.308 ( -13.965 5.352 -2.412) 15.149 17.964 ( -2.919 -3.568 5.457) 7.144 17.964 ( -2.919 3.568 5.457) 7.144 18.984 ( 9.464 -0.316 -2.376) 9.763 18.984 ( 9.464 0.316 -2.376) 9.763 20.838 ( 7.133 -5.975 6.838) 11.547 20.838 ( 7.133 5.975 6.838) 11.547 21.555 ( 3.465 -6.146 -7.804) 10.521 21.555 ( 3.465 6.146 -7.804) 10.521 21.825 ( -3.697 -3.979 -1.142) 5.550 21.825 ( -3.697 3.979 -1.142) 5.550 21.912 ( -4.640 -3.840 -0.613) 6.054 21.912 ( -4.640 3.840 -0.613) 6.054 22.615 ( 7.646 -6.159 -2.005) 10.021 22.615 ( 7.646 6.159 -2.005) 10.021 22.797 ( -2.861 -4.345 1.882) 5.532 22.797 ( -2.861 4.345 1.882) 5.532 22.945 ( 3.130 -2.322 -3.792) 5.438 22.945 ( 3.130 2.322 -3.792) 5.438 23.360 ( 4.170 -3.525 2.977) 6.219 23.360 ( 4.170 3.525 2.977) 6.219 23.748 ( -1.202 -4.118 2.289) 4.863 23.748 ( -1.202 4.118 2.289) 4.863 24.319 ( -5.346 -3.233 0.350) 6.258 24.319 ( -5.346 3.233 0.350) 6.258 24.461 ( 8.671 -9.542 2.535) 13.140 24.461 ( 8.671 9.542 2.535) 13.140 25.204 ( -10.968 -4.260 -1.128) 11.820 25.204 ( -10.968 4.260 -1.128) 11.820 29.225 ( -1.936 -6.386 0.351) 6.682 29.225 ( -1.936 6.386 0.351) 6.682 29.456 ( -2.607 -4.778 -0.547) 5.470 29.456 ( -2.607 4.778 -0.547) 5.470 29.771 ( 0.127 -1.720 -1.758) 2.462 29.771 ( 0.127 1.720 -1.758) 2.462 29.826 ( -0.595 -2.083 0.338) 2.192 29.826 ( -0.595 2.083 0.338) 2.192 30.097 ( -0.722 -2.314 2.889) 3.771 30.097 ( -0.722 2.314 2.889) 3.771 30.168 ( -0.739 -1.169 1.236) 1.855 30.168 ( -0.739 1.169 1.236) 1.855 30.625 ( -0.163 -2.953 3.570) 4.636 30.625 ( -0.163 2.953 3.570) 4.636 30.710 ( 3.771 -5.871 -1.233) 7.086 30.710 ( 3.771 5.871 -1.233) 7.086 31.050 ( 2.635 -5.732 9.126) 11.094 31.050 ( 2.635 5.732 9.126) 11.094 31.501 ( 2.701 -0.468 -1.235) 3.006 31.501 ( 2.701 0.468 -1.235) 3.006 31.882 ( -2.870 -1.922 -6.367) 7.244 31.882 ( -2.870 1.922 -6.367) 7.244 32.122 ( -8.347 -8.119 -9.287) 14.895 32.122 ( -8.347 8.119 -9.287) 14.895 32.567 ( 7.381 -4.372 3.823) 9.392 32.567 ( 7.381 4.372 3.823) 9.392 33.325 ( -15.682 -3.781 1.159) 16.173 33.325 ( -15.682 3.781 1.159) 16.173 34.353 ( 8.123 -6.753 9.884) 14.466 34.353 ( 8.123 6.753 9.884) 14.466 34.992 ( 6.922 -8.295 -12.798) 16.748 34.992 ( 6.922 8.295 -12.798) 16.748 ======================= Grid point 115 (62/80) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -7.937 -6.713 -1.269) 10.473 2.712 ( -7.937 6.713 -1.269) 10.473 3.123 ( 0.837 -2.854 -9.930) 10.366 3.123 ( 0.837 2.854 -9.930) 10.366 3.338 ( -1.795 -5.657 -5.729) 8.249 3.338 ( -1.795 5.657 -5.729) 8.249 3.533 ( -1.546 -6.412 -2.170) 6.944 3.533 ( -1.546 6.412 -2.170) 6.944 3.991 ( 14.084 -5.292 4.565) 15.723 3.991 ( 14.084 5.292 4.565) 15.723 4.139 ( -5.469 -5.933 4.291) 9.139 4.139 ( -5.469 5.933 4.291) 9.139 4.294 ( 0.216 -3.350 1.779) 3.799 4.294 ( 0.216 3.349 1.779) 3.799 4.516 ( 1.748 -6.625 -7.485) 10.147 4.516 ( 1.748 6.625 -7.485) 10.147 4.696 ( -3.407 -5.339 -4.607) 7.832 4.696 ( -3.407 5.340 -4.607) 7.832 4.786 ( 0.462 -1.265 -5.677) 5.835 4.786 ( 0.462 1.265 -5.677) 5.835 5.255 ( -3.055 -7.176 5.998) 9.839 5.255 ( -3.055 7.176 5.998) 9.839 5.577 ( 1.895 -8.745 -2.890) 9.403 5.577 ( 1.895 8.745 -2.890) 9.403 5.699 ( -4.771 -4.969 4.431) 8.191 5.699 ( -4.771 4.969 4.431) 8.191 5.968 ( 2.767 -6.009 5.589) 8.661 5.968 ( 2.767 6.009 5.589) 8.661 6.111 ( -5.605 -7.307 4.788) 10.380 6.111 ( -5.605 7.307 4.788) 10.380 6.208 ( 9.041 -5.558 2.965) 11.019 6.208 ( 9.041 5.558 2.965) 11.019 6.577 ( 2.558 -3.975 2.480) 5.338 6.577 ( 2.558 3.975 2.480) 5.338 6.777 ( -1.300 -1.834 0.940) 2.437 6.777 ( -1.300 1.834 0.940) 2.437 6.954 ( 1.958 -5.339 4.991) 7.567 6.954 ( 1.958 5.340 4.991) 7.567 7.363 ( -2.910 -3.548 3.967) 6.066 7.363 ( -2.910 3.548 3.967) 6.066 7.619 ( -0.699 -9.707 -2.538) 10.058 7.619 ( -0.699 9.707 -2.538) 10.058 7.730 ( 0.866 -5.471 -3.641) 6.629 7.730 ( 0.866 5.471 -3.641) 6.629 7.982 ( -5.902 -6.867 6.322) 11.043 7.982 ( -5.902 6.867 6.322) 11.043 8.444 ( 13.640 -7.726 -12.931) 20.321 8.444 ( 13.640 7.726 -12.931) 20.321 8.851 ( -8.164 -6.937 0.608) 10.731 8.851 ( -8.164 6.937 0.608) 10.731 9.017 ( 3.312 -3.470 -0.132) 4.799 9.017 ( 3.312 3.470 -0.132) 4.799 9.827 ( -1.154 -2.760 3.856) 4.881 9.827 ( -1.154 2.760 3.856) 4.881 10.033 ( -5.135 -7.473 0.183) 9.069 10.033 ( -5.135 7.473 0.183) 9.069 10.576 ( 0.653 -7.482 -5.486) 9.301 10.576 ( 0.653 7.482 -5.486) 9.301 11.123 ( 2.410 -10.422 -1.989) 10.881 11.123 ( 2.410 10.422 -1.989) 10.881 11.278 ( -1.046 -7.035 6.295) 9.498 11.278 ( -1.046 7.035 6.295) 9.498 11.959 ( -6.264 -6.084 2.075) 8.975 11.959 ( -6.264 6.084 2.075) 8.975 12.226 ( 7.457 -4.058 2.592) 8.876 12.226 ( 7.457 4.058 2.592) 8.876 12.686 ( 0.535 -2.714 2.807) 3.941 12.686 ( 0.535 2.714 2.807) 3.941 13.012 ( 0.760 -2.046 -11.495) 11.700 13.012 ( 0.760 2.046 -11.495) 11.700 13.968 ( -1.520 -2.077 6.179) 6.693 13.968 ( -1.520 2.077 6.179) 6.693 14.264 ( -2.438 -2.270 -2.382) 4.095 14.264 ( -2.438 2.270 -2.382) 4.095 14.371 ( 2.161 -2.028 -9.159) 9.626 14.371 ( 2.161 2.028 -9.159) 9.626 14.755 ( -0.163 -1.680 -3.127) 3.554 14.755 ( -0.163 1.680 -3.127) 3.554 14.966 ( 3.952 -4.802 2.801) 6.821 14.966 ( 3.952 4.802 2.801) 6.821 15.064 ( -2.980 -3.489 -0.097) 4.589 15.064 ( -2.980 3.489 -0.097) 4.589 15.308 ( -1.020 -6.542 -3.448) 7.465 15.308 ( -1.020 6.542 -3.448) 7.465 15.766 ( 0.034 -4.957 -0.575) 4.990 15.766 ( 0.034 4.957 -0.575) 4.990 16.181 ( 2.265 -5.066 5.244) 7.635 16.181 ( 2.265 5.066 5.244) 7.635 16.363 ( -5.378 -4.338 -0.041) 6.909 16.363 ( -5.378 4.338 -0.041) 6.909 16.589 ( -0.255 -4.619 4.240) 6.275 16.589 ( -0.255 4.619 4.240) 6.275 16.703 ( 7.665 -2.372 4.495) 9.197 16.703 ( 7.665 2.372 4.495) 9.197 17.079 ( -2.030 -7.187 -8.502) 11.317 17.079 ( -2.030 7.187 -8.502) 11.317 17.916 ( -2.478 -1.807 9.951) 10.413 17.916 ( -2.478 1.807 9.951) 10.413 19.111 ( 2.232 -3.611 -4.580) 6.245 19.111 ( 2.232 3.611 -4.580) 6.245 20.968 ( 3.669 -5.291 9.921) 11.827 20.968 ( 3.669 5.291 9.921) 11.827 21.475 ( -8.751 -3.390 -8.594) 12.725 21.475 ( -8.751 3.390 -8.594) 12.725 21.734 ( -3.130 -5.947 2.210) 7.075 21.734 ( -3.130 5.947 2.210) 7.075 21.964 ( 7.038 -4.645 -6.958) 10.933 21.964 ( 7.038 4.645 -6.958) 10.933 22.621 ( -6.989 -2.946 1.908) 7.821 22.621 ( -6.989 2.946 1.908) 7.821 22.811 ( 3.854 -7.564 -0.782) 8.525 22.811 ( 3.854 7.564 -0.782) 8.525 22.984 ( 0.774 -1.036 -1.006) 1.639 22.984 ( 0.774 1.036 -1.006) 1.639 23.443 ( 2.481 -4.415 0.712) 5.115 23.443 ( 2.481 4.415 0.712) 5.115 23.702 ( -2.810 -3.256 4.498) 6.223 23.702 ( -2.810 3.256 4.498) 6.223 24.229 ( -1.466 -3.229 -1.333) 3.788 24.229 ( -1.466 3.229 -1.333) 3.788 24.642 ( 3.017 -7.342 2.552) 8.338 24.642 ( 3.017 7.342 2.552) 8.338 25.033 ( -0.856 -7.580 -1.155) 7.715 25.033 ( -0.856 7.580 -1.155) 7.715 29.208 ( 0.664 -5.863 -0.391) 5.913 29.208 ( 0.664 5.863 -0.391) 5.913 29.428 ( -0.199 -4.522 0.194) 4.531 29.428 ( -0.199 4.522 0.194) 4.531 29.744 ( -1.770 -0.271 -0.061) 1.792 29.744 ( -1.770 0.271 -0.061) 1.792 29.832 ( 0.593 -1.864 -0.488) 2.016 29.832 ( 0.593 1.864 -0.488) 2.016 30.071 ( -0.817 -1.610 4.464) 4.815 30.071 ( -0.817 1.610 4.464) 4.815 30.212 ( 3.661 -2.744 -2.791) 5.359 30.212 ( 3.661 2.744 -2.791) 5.359 30.593 ( -2.662 -4.995 4.218) 7.059 30.593 ( -2.662 4.995 4.218) 7.059 30.773 ( 1.614 -6.798 -0.788) 7.031 30.773 ( 1.614 6.798 -0.788) 7.031 31.121 ( 2.830 -4.667 10.499) 11.833 31.121 ( 2.830 4.667 10.499) 11.833 31.547 ( 2.354 -0.750 -1.278) 2.781 31.547 ( 2.354 0.750 -1.278) 2.781 31.834 ( -0.501 -4.168 -4.466) 6.129 31.834 ( -0.501 4.168 -4.466) 6.129 31.978 ( -5.495 -8.726 -11.749) 15.633 31.978 ( -5.495 8.726 -11.749) 15.633 32.718 ( 4.242 -2.738 0.074) 5.049 32.718 ( 4.242 2.738 0.074) 5.049 33.089 ( -3.495 -2.300 3.559) 5.493 33.089 ( -3.495 2.300 3.559) 5.493 34.475 ( 2.628 -7.574 11.476) 13.999 34.475 ( 2.628 7.574 11.476) 13.999 35.042 ( -2.020 -4.665 -14.369) 15.242 35.042 ( -2.020 4.665 -14.369) 15.242 ======================= Grid point 117 (63/80) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -2.943 -17.431 -0.008) 17.678 2.595 ( -2.943 17.431 -0.008) 17.678 3.122 ( -3.472 -11.348 7.669) 14.129 3.122 ( -3.472 11.348 7.669) 14.129 3.309 ( -1.088 -9.506 -8.190) 12.594 3.309 ( -1.088 9.506 -8.190) 12.594 3.481 ( -0.147 -9.275 -5.419) 10.743 3.481 ( -0.147 9.275 -5.419) 10.743 3.916 ( -6.496 -4.041 -2.709) 8.116 3.916 ( -6.496 4.041 -2.709) 8.116 4.205 ( -6.578 -9.892 -6.538) 13.560 4.205 ( -6.578 9.892 -6.538) 13.560 4.323 ( 0.102 -5.560 5.584) 7.880 4.323 ( 0.102 5.560 5.584) 7.880 4.469 ( 0.882 -2.329 -1.673) 3.000 4.469 ( 0.882 2.329 -1.673) 3.000 4.690 ( 2.872 -8.678 -4.634) 10.249 4.690 ( 2.872 8.678 -4.634) 10.249 4.738 ( -4.459 -6.473 -7.544) 10.895 4.738 ( -4.459 6.473 -7.544) 10.895 5.203 ( -1.655 -3.947 4.501) 6.211 5.203 ( -1.655 3.947 4.501) 6.211 5.479 ( -5.037 -12.702 4.901) 14.516 5.479 ( -5.037 12.702 4.901) 14.516 5.658 ( -3.929 -5.831 1.687) 7.230 5.658 ( -3.929 5.831 1.687) 7.230 5.920 ( -2.025 -3.754 3.793) 5.708 5.920 ( -2.025 3.754 3.793) 5.708 6.134 ( 6.014 -5.106 5.212) 9.456 6.134 ( 6.014 5.106 5.212) 9.456 6.384 ( 3.077 -2.501 10.036) 10.791 6.384 ( 3.077 2.501 10.036) 10.791 6.630 ( -1.050 -8.996 -1.814) 9.238 6.630 ( -1.050 8.996 -1.814) 9.238 6.823 ( 8.197 -3.335 -0.683) 8.876 6.823 ( 8.197 3.335 -0.683) 8.876 7.082 ( 6.624 -9.412 3.816) 12.126 7.082 ( 6.624 9.412 3.816) 12.126 7.321 ( 0.010 -3.584 -1.919) 4.066 7.321 ( 0.010 3.584 -1.919) 4.066 7.627 ( 1.302 -9.193 -2.211) 9.544 7.627 ( 1.302 9.193 -2.211) 9.544 7.815 ( 5.279 -5.346 -1.866) 7.741 7.815 ( 5.279 5.346 -1.866) 7.741 7.895 ( 1.985 -6.019 2.582) 6.844 7.895 ( 1.985 6.019 2.582) 6.844 8.538 ( -2.578 -8.248 -5.058) 10.013 8.538 ( -2.578 8.248 -5.058) 10.013 8.856 ( 4.127 -4.727 -5.924) 8.630 8.856 ( 4.127 4.727 -5.924) 8.630 9.104 ( 4.031 -4.472 2.870) 6.670 9.104 ( 4.031 4.472 2.870) 6.670 9.736 ( -7.339 -1.116 6.935) 10.159 9.736 ( -7.339 1.116 6.935) 10.159 9.925 ( -2.730 -7.583 -0.864) 8.106 9.925 ( -2.730 7.583 -0.864) 8.106 10.570 ( -0.624 -9.454 -5.731) 11.073 10.570 ( -0.624 9.454 -5.731) 11.073 11.126 ( -5.729 -8.777 1.753) 10.627 11.126 ( -5.729 8.777 1.753) 10.627 11.253 ( 1.614 -2.199 1.132) 2.953 11.253 ( 1.614 2.199 1.132) 2.953 11.839 ( -3.991 -3.719 3.952) 6.736 11.839 ( -3.991 3.719 3.952) 6.736 12.390 ( 6.369 -5.415 1.414) 8.479 12.390 ( 6.369 5.415 1.414) 8.479 12.666 ( -1.637 -0.738 1.946) 2.648 12.666 ( -1.637 0.738 1.946) 2.648 13.015 ( -0.451 -5.357 -9.485) 10.903 13.015 ( -0.451 5.357 -9.485) 10.903 13.844 ( -7.847 -2.956 2.470) 8.741 13.844 ( -7.847 2.956 2.470) 8.741 14.207 ( -4.562 -3.733 -6.712) 8.933 14.207 ( -4.562 3.733 -6.712) 8.933 14.399 ( 1.012 -5.045 -3.130) 6.023 14.399 ( 1.012 5.045 -3.130) 6.023 14.767 ( 2.234 -4.623 -2.974) 5.934 14.767 ( 2.234 4.623 -2.974) 5.934 14.998 ( 0.094 -4.373 0.721) 4.434 14.998 ( 0.094 4.373 0.721) 4.434 15.118 ( 5.271 -3.842 1.870) 6.786 15.118 ( 5.271 3.842 1.870) 6.786 15.330 ( 3.294 -9.174 -1.439) 9.853 15.330 ( 3.294 9.174 -1.439) 9.853 15.746 ( -2.567 -1.957 -0.034) 3.228 15.746 ( -2.567 1.957 -0.034) 3.228 16.172 ( -1.613 -2.144 1.903) 3.289 16.172 ( -1.613 2.144 1.903) 3.289 16.247 ( -6.149 -6.611 2.007) 9.249 16.247 ( -6.149 6.611 2.007) 9.249 16.597 ( 0.827 -4.288 3.968) 5.901 16.597 ( 0.827 4.288 3.968) 5.901 16.839 ( 9.155 -2.821 -0.433) 9.589 16.839 ( 9.155 2.821 -0.433) 9.589 17.276 ( 14.074 -7.619 -4.945) 16.751 17.276 ( 14.074 7.619 -4.945) 16.751 17.864 ( -1.295 -3.818 9.473) 10.295 17.864 ( -1.295 3.818 9.473) 10.295 19.066 ( -6.607 -6.863 -4.422) 10.503 19.066 ( -6.607 6.863 -4.422) 10.503 20.962 ( -4.429 -3.028 8.760) 10.273 20.962 ( -4.429 3.028 8.760) 10.273 21.281 ( -7.381 -2.280 -5.844) 9.686 21.281 ( -7.381 2.280 -5.844) 9.686 21.744 ( 3.570 -10.692 1.797) 11.415 21.744 ( 3.570 10.692 1.797) 11.415 22.090 ( 3.503 -6.039 -6.018) 9.217 22.090 ( 3.503 6.039 -6.018) 9.217 22.460 ( -6.713 -4.932 1.658) 8.493 22.460 ( -6.713 4.932 1.658) 8.493 22.828 ( -1.795 -6.441 0.618) 6.715 22.828 ( -1.795 6.441 0.618) 6.715 22.997 ( -0.429 -2.152 -3.167) 3.853 22.997 ( -0.429 2.152 -3.167) 3.853 23.413 ( -4.941 -5.327 0.264) 7.270 23.413 ( -4.941 5.327 0.264) 7.270 23.672 ( 0.420 -0.484 6.230) 6.263 23.672 ( 0.420 0.484 6.230) 6.263 24.273 ( 4.832 -2.160 0.441) 5.311 24.273 ( 4.832 2.160 0.441) 5.311 24.553 ( -6.693 -6.557 -0.049) 9.370 24.553 ( -6.693 6.557 -0.049) 9.370 25.194 ( 11.378 -11.037 -0.639) 15.865 25.194 ( 11.378 11.037 -0.639) 15.865 29.250 ( 2.833 -6.281 -0.423) 6.903 29.250 ( 2.833 6.281 -0.423) 6.903 29.442 ( 1.412 -5.209 -0.078) 5.397 29.442 ( 1.412 5.209 -0.078) 5.397 29.714 ( -0.842 -0.919 0.197) 1.262 29.714 ( -0.842 0.919 0.197) 1.262 29.846 ( 0.946 -1.087 0.116) 1.445 29.846 ( 0.946 1.087 0.116) 1.445 30.083 ( 1.663 -1.028 2.787) 3.404 30.083 ( 1.663 1.028 2.787) 3.404 30.281 ( 2.175 -3.246 -3.233) 5.071 30.281 ( 2.175 3.246 -3.233) 5.071 30.530 ( -2.567 -6.052 5.199) 8.381 30.530 ( -2.567 6.052 5.199) 8.381 30.772 ( -1.564 -6.910 -1.645) 7.273 30.772 ( -1.564 6.910 -1.645) 7.273 31.143 ( -0.760 -1.514 7.893) 8.073 31.143 ( -0.760 1.514 7.893) 8.073 31.623 ( 4.314 -1.265 -2.104) 4.964 31.623 ( 4.314 1.265 -2.104) 4.964 31.788 ( -6.840 -3.840 -8.778) 11.773 31.788 ( -6.840 3.840 -8.778) 11.773 31.955 ( 6.522 -7.055 -1.254) 9.689 31.955 ( 6.522 7.055 -1.254) 9.689 32.681 ( -4.746 -5.194 -2.043) 7.326 32.681 ( -4.746 5.194 -2.043) 7.326 33.251 ( 15.288 -2.470 4.458) 16.115 33.251 ( 15.288 2.470 4.458) 16.115 34.462 ( -3.949 -7.674 10.156) 13.328 34.462 ( -3.949 7.674 10.156) 13.328 34.907 ( -10.072 -1.002 -14.043) 17.311 34.907 ( -10.072 1.002 -14.043) 17.311 ======================= Grid point 119 (64/80) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 0.857 -23.943 8.779) 25.516 2.579 ( 0.857 23.943 8.779) 25.516 2.918 ( -11.282 -23.810 8.063) 27.554 2.918 ( -11.282 23.810 8.063) 27.554 3.362 ( 5.938 -6.126 -3.594) 9.257 3.362 ( 5.938 6.126 -3.594) 9.257 3.567 ( 4.302 -7.808 -9.220) 12.825 3.567 ( 4.302 7.808 -9.220) 12.825 3.759 ( -5.914 -5.776 -3.577) 9.008 3.759 ( -5.914 5.776 -3.577) 9.008 4.041 ( -9.608 -5.280 -5.925) 12.462 4.041 ( -9.608 5.280 -5.925) 12.462 4.206 ( -3.649 -3.186 0.474) 4.868 4.206 ( -3.649 3.186 0.474) 4.868 4.464 ( -5.226 -5.072 -11.137) 13.307 4.464 ( -5.226 5.072 -11.137) 13.307 4.608 ( -3.158 -6.178 -0.126) 6.939 4.608 ( -3.158 6.178 -0.126) 6.939 4.837 ( 6.555 -6.842 -0.539) 9.490 4.837 ( 6.555 6.842 -0.539) 9.490 5.200 ( 0.272 -12.244 3.757) 12.811 5.200 ( 0.272 12.244 3.757) 12.811 5.437 ( -2.712 -2.389 5.641) 6.700 5.437 ( -2.712 2.389 5.641) 6.700 5.505 ( -3.519 -11.126 9.127) 14.815 5.505 ( -3.519 11.126 9.127) 14.815 5.973 ( 5.047 -2.582 -6.085) 8.316 5.973 ( 5.047 2.582 -6.085) 8.316 6.238 ( -1.852 -6.477 5.301) 8.573 6.238 ( -1.852 6.477 5.301) 8.573 6.349 ( -2.171 -2.196 2.947) 4.269 6.349 ( -2.171 2.196 2.947) 4.269 6.640 ( 5.265 -6.934 6.081) 10.620 6.640 ( 5.265 6.934 6.081) 10.620 7.028 ( 7.336 -9.138 0.309) 11.723 7.028 ( 7.336 9.138 0.309) 11.723 7.151 ( 0.887 -5.160 -4.127) 6.667 7.151 ( 0.887 5.160 -4.127) 6.667 7.337 ( 2.645 -10.122 2.916) 10.861 7.337 ( 2.645 10.122 2.916) 10.861 7.687 ( 3.203 -3.653 -0.107) 4.860 7.687 ( 3.203 3.653 -0.107) 4.860 7.860 ( 1.900 -4.168 -2.976) 5.462 7.860 ( 1.900 4.168 -2.976) 5.462 8.081 ( 2.851 -6.853 1.334) 7.541 8.081 ( 2.851 6.853 1.334) 7.541 8.516 ( 3.983 -6.102 -0.655) 7.316 8.516 ( 3.983 6.102 -0.655) 7.316 8.869 ( -0.244 -2.864 -5.248) 5.984 8.869 ( -0.244 2.864 -5.248) 5.984 9.112 ( -3.447 -2.095 3.393) 5.271 9.112 ( -3.447 2.095 3.393) 5.271 9.609 ( -4.003 -0.465 4.487) 6.031 9.609 ( -4.003 0.465 4.487) 6.031 9.913 ( 1.187 -7.267 -5.107) 8.961 9.913 ( 1.187 7.267 -5.107) 8.961 10.564 ( -0.222 -5.244 -3.245) 6.171 10.564 ( -0.222 5.244 -3.245) 6.171 10.967 ( -5.734 -7.287 1.499) 9.393 10.967 ( -5.734 7.287 1.499) 9.393 11.298 ( 1.042 -7.190 -1.468) 7.412 11.298 ( 1.042 7.190 -1.468) 7.412 11.786 ( -1.198 -5.333 4.200) 6.893 11.786 ( -1.198 5.333 4.200) 6.893 12.447 ( -1.481 -6.481 6.191) 9.085 12.447 ( -1.481 6.481 6.191) 9.085 12.665 ( 1.898 -2.188 0.296) 2.911 12.665 ( 1.898 2.188 0.296) 2.911 12.998 ( -0.734 -5.509 -8.040) 9.774 12.998 ( -0.734 5.509 -8.040) 9.774 13.694 ( -5.310 -4.028 -1.020) 6.742 13.694 ( -5.310 4.028 -1.020) 6.742 14.078 ( -6.325 -0.618 -8.869) 10.911 14.078 ( -6.325 0.618 -8.869) 10.911 14.401 ( 0.049 -3.317 -3.520) 4.837 14.401 ( 0.049 3.317 -3.520) 4.837 14.832 ( 1.024 -3.249 2.717) 4.357 14.832 ( 1.024 3.249 2.717) 4.357 15.025 ( 3.915 -2.076 -1.413) 4.652 15.025 ( 3.915 2.076 -1.413) 4.652 15.235 ( 5.254 -3.212 0.684) 6.196 15.235 ( 5.254 3.212 0.684) 6.196 15.413 ( 3.523 -9.869 -0.163) 10.480 15.413 ( 3.523 9.869 -0.163) 10.480 15.662 ( -4.060 -8.000 2.080) 9.209 15.662 ( -4.060 8.000 2.080) 9.209 16.007 ( -9.434 -8.884 1.332) 13.027 16.007 ( -9.434 8.884 1.332) 13.027 16.278 ( 4.573 -2.760 -0.888) 5.415 16.278 ( 4.573 2.760 -0.888) 5.415 16.624 ( 1.432 -3.279 4.589) 5.819 16.624 ( 1.432 3.279 4.589) 5.819 17.051 ( 7.814 -2.119 -0.357) 8.104 17.051 ( 7.814 2.119 -0.357) 8.104 17.472 ( 3.128 -7.558 -2.994) 8.710 17.472 ( 3.128 7.558 -2.994) 8.710 17.974 ( 12.836 -2.276 4.846) 13.908 17.974 ( 12.836 2.276 4.846) 13.908 18.832 ( -14.614 -8.592 -2.786) 17.180 18.832 ( -14.614 8.592 -2.786) 17.180 20.821 ( -7.359 -3.379 3.327) 8.755 20.821 ( -7.359 3.379 3.327) 8.755 21.197 ( -0.482 -3.331 -1.200) 3.573 21.197 ( -0.482 3.331 -1.200) 3.573 21.851 ( 5.526 -8.963 3.144) 10.988 21.851 ( 5.526 8.963 3.144) 10.988 22.097 ( -1.699 -9.004 -2.899) 9.610 22.097 ( -1.699 9.004 -2.899) 9.610 22.358 ( -3.193 -4.675 0.910) 5.734 22.358 ( -3.193 4.675 0.910) 5.734 22.781 ( -2.220 -4.536 -1.177) 5.186 22.781 ( -2.220 4.536 -1.177) 5.186 22.945 ( -3.130 -2.688 -5.297) 6.715 22.945 ( -3.130 2.688 -5.297) 6.715 23.305 ( -4.062 -5.154 3.679) 7.523 23.305 ( -4.062 5.154 3.679) 7.523 23.700 ( 1.608 -2.826 4.741) 5.749 23.700 ( 1.608 2.827 4.741) 5.749 24.361 ( 0.470 -4.560 0.680) 4.634 24.361 ( 0.470 4.560 0.680) 4.634 24.474 ( 1.174 -8.670 0.559) 8.767 24.474 ( 1.174 8.670 0.559) 8.767 25.412 ( 7.886 -8.143 -1.485) 11.432 25.412 ( 7.886 8.143 -1.485) 11.432 29.300 ( 1.251 -6.368 0.017) 6.489 29.300 ( 1.251 6.368 0.017) 6.489 29.489 ( 2.981 -5.782 -0.539) 6.528 29.489 ( 2.981 5.782 -0.539) 6.528 29.711 ( 0.501 -2.458 -0.134) 2.512 29.711 ( 0.501 2.458 -0.134) 2.512 29.876 ( 1.581 -1.559 0.359) 2.249 29.876 ( 1.581 1.559 0.359) 2.249 30.120 ( 1.191 -1.548 2.639) 3.283 30.120 ( 1.191 1.548 2.639) 3.283 30.276 ( -2.216 -2.302 -0.690) 3.269 30.276 ( -2.216 2.302 -0.690) 3.269 30.524 ( 1.919 -4.116 2.226) 5.058 30.524 ( 1.919 4.116 2.226) 5.058 30.722 ( -2.615 -4.272 -2.336) 5.526 30.722 ( -2.615 4.272 -2.336) 5.526 31.116 ( -1.492 -2.233 5.195) 5.848 31.116 ( -1.492 2.233 5.195) 5.848 31.528 ( -10.568 -5.471 -8.564) 14.662 31.528 ( -10.568 5.471 -8.564) 14.662 31.801 ( 6.442 -2.523 -0.561) 6.941 31.801 ( 6.442 2.523 -0.561) 6.941 32.141 ( 8.803 -9.067 4.216) 13.322 32.141 ( 8.803 9.067 4.216) 13.322 32.596 ( -2.814 -10.428 -2.297) 11.043 32.596 ( -2.814 10.428 -2.297) 11.043 33.624 ( 17.364 -3.032 3.021) 17.884 33.624 ( 17.364 3.032 3.021) 17.884 34.338 ( -6.217 -4.951 4.056) 8.923 34.338 ( -6.217 4.951 4.056) 8.923 34.634 ( -14.033 -0.416 -9.342) 16.863 34.634 ( -14.033 0.416 -9.342) 16.863 ======================= Grid point 133 (65/80) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 3.223 0.000 -32.946) 33.103 2.151 ( -3.223 0.000 32.946) 33.103 2.619 ( 2.543 0.000 -29.404) 29.514 2.619 ( -2.543 0.000 29.404) 29.514 3.301 ( 0.639 0.000 -30.418) 30.425 3.301 ( -0.639 0.000 30.418) 30.425 3.539 ( 1.865 0.000 -21.439) 21.520 3.539 ( -1.865 0.000 21.439) 21.520 3.753 ( -3.488 0.000 -2.869) 4.516 3.753 ( 3.488 0.000 2.869) 4.516 4.022 ( 2.384 0.000 -4.785) 5.346 4.022 ( -2.384 0.000 4.785) 5.346 4.374 ( -0.376 0.000 -12.195) 12.200 4.374 ( 0.376 0.000 12.195) 12.200 4.513 ( -1.299 0.000 -14.329) 14.388 4.513 ( 1.299 0.000 14.329) 14.388 4.631 ( 5.170 0.000 -8.367) 9.836 4.631 ( -5.170 0.000 8.367) 9.836 4.747 ( -4.400 0.000 -10.706) 11.575 4.747 ( 4.400 0.000 10.706) 11.575 5.017 ( -0.990 0.000 0.286) 1.030 5.017 ( 0.990 0.000 -0.286) 1.030 5.444 ( -0.186 0.000 -2.429) 2.436 5.444 ( 0.186 0.000 2.429) 2.436 5.610 ( 2.576 0.000 -16.517) 16.716 5.610 ( -2.576 0.000 16.517) 16.716 5.870 ( -2.009 0.000 -4.898) 5.294 5.870 ( 2.009 0.000 4.898) 5.294 6.087 ( -8.030 0.000 1.406) 8.153 6.087 ( 8.030 0.000 -1.406) 8.153 6.455 ( -1.512 0.000 -3.151) 3.495 6.455 ( 1.512 0.000 3.151) 3.495 6.582 ( 5.405 0.000 -20.253) 20.962 6.582 ( -5.405 0.000 20.253) 20.962 6.838 ( -1.288 0.000 -7.196) 7.311 6.838 ( 1.288 0.000 7.196) 7.311 7.264 ( -5.268 0.000 -5.849) 7.872 7.264 ( 5.268 0.000 5.849) 7.872 7.373 ( -8.321 0.000 -0.820) 8.361 7.373 ( 8.321 0.000 0.820) 8.361 7.783 ( -11.167 0.000 0.222) 11.169 7.783 ( 11.167 0.000 -0.222) 11.169 8.046 ( -7.277 0.000 -1.946) 7.533 8.046 ( 7.277 0.000 1.946) 7.533 8.088 ( 0.164 0.000 -10.553) 10.554 8.088 ( -0.164 0.000 10.553) 10.554 8.448 ( -0.143 0.000 -0.857) 0.869 8.448 ( 0.143 0.000 0.857) 0.869 8.857 ( 11.732 0.000 -8.888) 14.719 8.857 ( -11.732 0.000 8.888) 14.719 9.312 ( 1.961 0.000 -2.124) 2.891 9.312 ( -1.961 0.000 2.124) 2.891 9.469 ( 4.576 0.000 -6.320) 7.803 9.469 ( -4.576 0.000 6.320) 7.803 9.706 ( -0.167 0.000 -2.803) 2.808 9.706 ( 0.167 0.000 2.803) 2.808 10.402 ( 2.190 0.000 -4.920) 5.386 10.402 ( -2.190 0.000 4.920) 5.386 11.183 ( -1.012 0.000 -1.710) 1.987 11.183 ( 1.012 0.000 1.710) 1.987 11.333 ( 11.403 0.000 -5.574) 12.692 11.333 ( -11.403 0.000 5.574) 12.692 11.979 ( -1.869 0.000 -11.279) 11.432 11.979 ( 1.869 0.000 11.279) 11.432 12.388 ( 4.241 0.000 -23.453) 23.833 12.388 ( -4.241 0.000 23.453) 23.833 12.793 ( 0.583 0.000 -2.478) 2.546 12.793 ( -0.583 0.000 2.478) 2.546 12.963 ( -2.833 0.000 -16.448) 16.690 12.963 ( 2.833 0.000 16.448) 16.690 13.677 ( -5.142 0.000 -8.274) 9.741 13.677 ( 5.142 0.000 8.274) 9.741 14.099 ( -1.069 0.000 -1.909) 2.188 14.099 ( 1.069 0.000 1.909) 2.188 14.436 ( 0.878 0.000 -4.890) 4.968 14.436 ( -0.878 0.000 4.890) 4.968 14.690 ( 0.238 0.000 -4.200) 4.207 14.690 ( -0.238 0.000 4.200) 4.207 14.852 ( 3.348 0.000 -3.761) 5.035 14.852 ( -3.348 0.000 3.761) 5.035 15.082 ( 8.174 0.000 -7.022) 10.776 15.082 ( -8.174 0.000 7.022) 10.776 15.416 ( -2.174 0.000 -0.934) 2.366 15.416 ( 2.174 0.000 0.934) 2.366 15.866 ( -4.815 0.000 -7.928) 9.275 15.866 ( 4.815 0.000 7.928) 9.275 16.014 ( -5.035 0.000 -0.674) 5.080 16.014 ( 5.035 0.000 0.674) 5.080 16.475 ( -3.064 0.000 0.701) 3.143 16.475 ( 3.064 0.000 -0.701) 3.143 16.737 ( -2.813 0.000 -2.345) 3.662 16.737 ( 2.813 0.000 2.345) 3.662 17.063 ( 1.146 0.000 -3.877) 4.043 17.063 ( -1.146 0.000 3.877) 4.043 17.815 ( 4.938 0.000 -4.885) 6.946 17.815 ( -4.938 0.000 4.885) 6.946 18.057 ( 14.260 0.000 -14.237) 20.151 18.057 ( -14.260 0.000 14.237) 20.151 18.594 ( -15.698 0.000 -11.901) 19.699 18.594 ( 15.698 0.000 11.901) 19.699 20.582 ( -6.509 0.000 1.575) 6.697 20.582 ( 6.509 0.000 -1.575) 6.697 21.394 ( -0.090 0.000 -6.187) 6.187 21.394 ( 0.090 0.000 6.187) 6.187 21.757 ( 4.525 0.000 -3.722) 5.859 21.757 ( -4.525 0.000 3.722) 5.859 22.025 ( -4.780 0.000 -2.440) 5.366 22.025 ( 4.780 0.000 2.440) 5.366 22.346 ( -0.565 0.000 -4.534) 4.569 22.346 ( 0.565 0.000 4.534) 4.569 22.498 ( -4.811 0.000 -3.086) 5.715 22.498 ( 4.811 0.000 3.086) 5.715 23.065 ( 3.618 0.000 -7.953) 8.738 23.065 ( -3.618 0.000 7.953) 8.738 23.404 ( -3.467 0.000 0.869) 3.574 23.404 ( 3.467 0.000 -0.869) 3.574 23.575 ( 1.655 0.000 -0.943) 1.905 23.575 ( -1.655 0.000 0.943) 1.905 24.256 ( -3.550 0.000 -10.506) 11.089 24.256 ( 3.550 0.000 10.506) 11.089 24.482 ( -4.915 0.000 -2.645) 5.581 24.482 ( 4.915 0.000 2.645) 5.581 25.606 ( -7.011 0.000 -7.299) 10.121 25.606 ( 7.011 0.000 7.299) 10.121 29.035 ( -0.198 0.000 -2.495) 2.503 29.035 ( 0.198 0.000 2.495) 2.503 29.594 ( -0.767 0.000 -4.309) 4.377 29.594 ( 0.767 0.000 4.309) 4.377 29.815 ( -0.592 0.000 -2.097) 2.179 29.815 ( 0.592 0.000 2.097) 2.179 29.887 ( -0.091 0.000 -2.742) 2.744 29.887 ( 0.091 0.000 2.742) 2.744 30.074 ( 0.746 0.000 -1.660) 1.820 30.074 ( -0.746 0.000 1.660) 1.820 30.226 ( -4.542 0.000 1.115) 4.677 30.226 ( 4.542 0.000 -1.115) 4.677 30.483 ( -3.109 0.000 -1.075) 3.290 30.483 ( 3.109 0.000 1.075) 3.290 30.711 ( 3.797 0.000 -2.516) 4.555 30.711 ( -3.797 0.000 2.516) 4.555 31.094 ( -3.649 0.000 -3.530) 5.077 31.094 ( 3.649 0.000 3.530) 5.077 31.509 ( 0.331 0.000 -18.888) 18.891 31.509 ( -0.331 0.000 18.888) 18.891 31.855 ( 2.279 0.000 -8.966) 9.251 31.855 ( -2.279 0.000 8.966) 9.251 31.874 ( 4.492 0.000 -9.931) 10.900 31.874 ( -4.492 0.000 9.931) 10.900 33.218 ( 3.169 0.000 -10.628) 11.091 33.218 ( -3.169 0.000 10.628) 11.091 33.830 ( -15.498 0.000 -11.013) 19.012 33.830 ( 15.498 0.000 11.013) 19.012 34.138 ( 2.394 0.000 -6.621) 7.040 34.138 ( -2.394 0.000 6.621) 7.040 34.407 ( 14.604 0.000 -5.593) 15.638 34.407 ( -14.604 0.000 5.593) 15.638 ======================= Grid point 135 (66/80) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 1.301 0.000 32.211) 32.237 2.091 ( -2.946 0.000 -19.463) 19.684 2.780 ( 10.637 0.000 14.207) 17.747 2.832 ( 12.582 0.000 -29.207) 31.802 3.414 ( 6.185 0.000 -16.089) 17.237 3.419 ( 8.464 0.000 11.039) 13.910 3.539 ( -0.032 0.000 15.081) 15.081 3.693 ( 14.778 0.000 -27.174) 30.932 3.707 ( -0.201 0.000 0.830) 0.854 3.847 ( 4.726 0.000 6.377) 7.937 3.901 ( -8.201 0.000 5.263) 9.745 3.984 ( -5.376 0.000 -1.423) 5.561 4.229 ( -8.950 0.000 -9.198) 12.834 4.289 ( -4.474 0.000 9.281) 10.303 4.470 ( -4.606 0.000 -12.393) 13.222 4.526 ( 2.477 0.000 22.807) 22.941 4.540 ( -3.553 0.000 -17.417) 17.776 4.558 ( 0.421 0.000 14.186) 14.192 4.882 ( 2.511 0.000 7.481) 7.891 4.942 ( 12.633 0.000 -2.289) 12.838 5.038 ( -0.525 0.000 -2.783) 2.832 5.108 ( 9.719 0.000 4.230) 10.599 5.200 ( -15.836 0.000 -7.157) 17.378 5.453 ( 2.716 0.000 0.799) 2.831 5.649 ( 2.003 0.000 -21.336) 21.430 5.771 ( 6.332 0.000 13.772) 15.158 5.852 ( -2.791 0.000 8.938) 9.364 5.973 ( 5.902 0.000 -0.300) 5.909 6.036 ( 2.468 0.000 -0.659) 2.554 6.128 ( -4.643 0.000 -0.809) 4.713 6.289 ( -16.542 0.000 6.538) 17.787 6.424 ( -1.517 0.000 -2.907) 3.279 6.542 ( 7.796 0.000 10.068) 12.734 6.637 ( 1.683 0.000 -6.825) 7.029 6.754 ( -5.413 0.000 -12.174) 13.324 6.782 ( -6.751 0.000 4.821) 8.296 7.114 ( -4.225 0.000 -5.076) 6.605 7.228 ( -3.169 0.000 0.556) 3.217 7.311 ( -0.437 0.000 4.165) 4.188 7.457 ( -1.655 0.000 7.359) 7.542 7.688 ( 2.999 0.000 -9.386) 9.853 7.704 ( -9.848 0.000 -0.038) 9.848 8.036 ( -2.017 0.000 -10.119) 10.318 8.059 ( -2.144 0.000 6.681) 7.017 8.233 ( -0.977 0.000 -1.425) 1.728 8.244 ( 7.919 0.000 3.800) 8.784 8.393 ( -18.352 0.000 12.160) 22.015 8.458 ( 1.280 0.000 -1.441) 1.927 8.549 ( 7.166 0.000 0.678) 7.198 8.881 ( 2.850 0.000 3.874) 4.809 9.241 ( -8.873 0.000 -1.816) 9.056 9.322 ( -0.744 0.000 -3.401) 3.481 9.538 ( 6.541 0.000 6.550) 9.257 9.683 ( 6.543 0.000 -3.120) 7.248 9.725 ( 0.932 0.000 -4.113) 4.218 9.750 ( 6.933 0.000 -8.174) 10.719 10.399 ( 1.413 0.000 5.096) 5.288 10.521 ( 8.502 0.000 -2.057) 8.747 11.080 ( -5.607 0.000 -7.126) 9.068 11.142 ( -1.948 0.000 -2.032) 2.815 11.231 ( -1.257 0.000 8.903) 8.991 11.580 ( 10.361 0.000 -1.742) 10.507 11.933 ( -1.273 0.000 -12.171) 12.237 11.964 ( -3.649 0.000 15.292) 15.721 12.353 ( 1.348 0.000 20.126) 20.171 12.473 ( 3.328 0.000 -19.671) 19.950 12.730 ( -4.756 0.000 2.210) 5.244 12.755 ( -2.668 0.000 -4.756) 5.454 12.925 ( -1.789 0.000 -10.938) 11.084 13.051 ( 4.061 0.000 19.040) 19.468 13.688 ( 6.202 0.000 -10.252) 11.982 13.879 ( 12.290 0.000 7.125) 14.206 14.114 ( 3.441 0.000 -5.924) 6.851 14.119 ( 0.473 0.000 -0.709) 0.852 14.443 ( 1.455 0.000 7.019) 7.168 14.450 ( 0.048 0.000 -4.385) 4.385 14.658 ( -3.531 0.000 0.434) 3.558 14.662 ( -2.232 0.000 5.558) 5.990 14.759 ( -3.775 0.000 2.239) 4.389 14.878 ( -1.250 0.000 1.205) 1.737 15.002 ( -0.647 0.000 1.543) 1.674 15.252 ( -0.779 0.000 -6.526) 6.573 15.312 ( -1.500 0.000 -1.070) 1.842 15.393 ( -2.990 0.000 1.659) 3.419 15.818 ( 2.062 0.000 -14.652) 14.796 15.937 ( -0.393 0.000 2.046) 2.083 15.949 ( -0.553 0.000 -1.851) 1.931 16.096 ( 4.342 0.000 4.977) 6.605 16.357 ( -7.004 0.000 -2.228) 7.349 16.532 ( 3.087 0.000 5.805) 6.574 16.725 ( 0.774 0.000 -0.240) 0.811 16.780 ( -1.956 0.000 2.262) 2.991 17.012 ( -6.424 0.000 -2.996) 7.088 17.049 ( 2.378 0.000 2.574) 3.504 17.694 ( -17.964 0.000 14.631) 23.169 17.707 ( -5.310 0.000 3.395) 6.302 17.944 ( 5.062 0.000 -7.116) 8.733 18.293 ( -8.707 0.000 -15.859) 18.092 18.353 ( 11.886 0.000 -6.522) 13.558 18.891 ( 10.148 0.000 13.780) 17.114 20.512 ( 0.680 0.000 3.239) 3.310 20.752 ( 8.391 0.000 0.603) 8.412 21.376 ( -2.081 0.000 -4.553) 5.006 21.416 ( 2.474 0.000 2.809) 3.743 21.633 ( -7.416 0.000 -2.608) 7.861 21.803 ( -1.197 0.000 0.286) 1.231 21.958 ( 2.527 0.000 -6.774) 7.230 22.041 ( -1.080 0.000 -2.024) 2.294 22.343 ( -1.059 0.000 -3.180) 3.352 22.418 ( 4.213 0.000 8.671) 9.640 22.525 ( 5.338 0.000 -8.304) 9.872 22.732 ( 13.639 0.000 9.361) 16.543 22.980 ( -4.671 0.000 8.834) 9.993 23.159 ( 5.208 0.000 -5.672) 7.700 23.364 ( 1.257 0.000 -0.808) 1.494 23.417 ( -3.743 0.000 0.182) 3.748 23.562 ( 2.002 0.000 1.117) 2.293 23.598 ( 1.402 0.000 -2.026) 2.464 24.175 ( -3.397 0.000 -12.395) 12.852 24.280 ( -1.972 0.000 7.694) 7.943 24.372 ( -5.598 0.000 -3.029) 6.364 24.638 ( 10.136 0.000 1.007) 10.185 25.379 ( -13.246 0.000 -6.970) 14.968 25.666 ( -1.489 0.000 7.508) 7.654 29.014 ( -1.411 0.000 -2.096) 2.527 29.019 ( -1.512 0.000 1.809) 2.358 29.562 ( -1.601 0.000 -1.753) 2.374 29.592 ( -0.577 0.000 5.173) 5.205 29.803 ( -0.707 0.000 -2.505) 2.603 29.864 ( 3.701 0.000 0.579) 3.746 29.894 ( -0.101 0.000 2.663) 2.665 29.930 ( 3.322 0.000 -4.489) 5.585 30.017 ( -3.293 0.000 1.332) 3.552 30.032 ( -3.910 0.000 -2.047) 4.413 30.149 ( -2.274 0.000 0.870) 2.435 30.306 ( 1.456 0.000 -1.616) 2.176 30.433 ( -0.551 0.000 -0.920) 1.072 30.506 ( -2.180 0.000 0.718) 2.295 30.684 ( 2.423 0.000 7.098) 7.501 30.786 ( 2.597 0.000 0.896) 2.748 31.034 ( -0.935 0.000 -1.739) 1.975 31.132 ( -0.804 0.000 3.335) 3.431 31.462 ( -3.322 0.000 -16.486) 16.817 31.506 ( 2.299 0.000 17.635) 17.784 31.789 ( -3.868 0.000 9.129) 9.914 31.881 ( 0.301 0.000 -10.104) 10.108 31.890 ( 4.129 0.000 13.460) 14.079 32.036 ( 8.066 0.000 -6.984) 10.669 33.005 ( -14.272 0.000 5.174) 15.181 33.086 ( -13.327 0.000 -9.346) 16.278 33.505 ( -12.554 0.000 -3.490) 13.030 33.702 ( -20.102 0.000 0.847) 20.120 34.223 ( 8.164 0.000 -9.307) 12.380 34.258 ( 14.238 0.000 16.517) 21.807 34.509 ( 14.019 0.000 6.768) 15.567 34.815 ( 16.540 0.000 -14.393) 21.926 ======================= Grid point 136 (67/80) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 9.080 0.000 -13.701) 16.437 2.248 ( 11.878 0.000 18.219) 21.750 2.965 ( 5.344 0.000 5.405) 7.601 3.022 ( 0.066 0.000 -5.272) 5.272 3.405 ( 0.958 0.000 -9.332) 9.381 3.457 ( -1.494 0.000 -5.725) 5.917 3.650 ( 0.108 0.000 -2.169) 2.172 3.678 ( -9.543 0.000 -5.462) 10.995 3.722 ( 3.701 0.000 3.825) 5.322 3.739 ( -4.812 0.000 -2.023) 5.220 3.905 ( -6.731 0.000 6.397) 9.286 4.107 ( 11.966 0.000 3.349) 12.425 4.235 ( -4.569 0.000 -3.323) 5.649 4.328 ( 11.775 0.000 -14.343) 18.557 4.333 ( 9.367 0.000 3.608) 10.038 4.573 ( 5.251 0.000 -17.078) 17.867 4.636 ( 5.993 0.000 17.626) 18.617 4.702 ( 7.300 0.000 19.724) 21.031 4.744 ( -8.649 0.000 4.388) 9.698 5.031 ( -0.456 0.000 -0.125) 0.473 5.056 ( 4.499 0.000 -15.619) 16.254 5.120 ( 0.903 0.000 2.960) 3.095 5.347 ( 9.635 0.000 0.575) 9.652 5.381 ( -12.699 0.000 5.596) 13.877 5.541 ( -11.223 0.000 12.053) 16.469 5.668 ( -0.732 0.000 -13.303) 13.323 5.768 ( -16.599 0.000 5.416) 17.460 5.825 ( -16.380 0.000 0.167) 16.381 6.087 ( 4.249 0.000 -10.822) 11.626 6.141 ( 13.162 0.000 18.556) 22.750 6.260 ( 9.976 0.000 -4.172) 10.813 6.506 ( -5.162 0.000 4.615) 6.925 6.590 ( -8.142 0.000 -18.945) 20.621 6.605 ( -4.311 0.000 7.253) 8.438 6.722 ( 12.336 0.000 -8.834) 15.173 6.808 ( 13.565 0.000 3.888) 14.111 7.127 ( 3.488 0.000 0.422) 3.514 7.200 ( -1.211 0.000 -0.510) 1.314 7.285 ( -1.434 0.000 -2.884) 3.221 7.403 ( -2.456 0.000 6.340) 6.799 7.532 ( -5.833 0.000 -3.506) 6.806 7.684 ( -9.197 0.000 -4.590) 10.279 7.847 ( -12.990 0.000 3.041) 13.342 7.956 ( -7.311 0.000 12.033) 14.080 8.045 ( 0.543 0.000 -12.470) 12.482 8.184 ( -6.675 0.000 10.016) 12.036 8.370 ( 5.780 0.000 -4.729) 7.468 8.514 ( 1.957 0.000 5.752) 6.076 8.689 ( 3.830 0.000 1.089) 3.982 9.001 ( -11.661 0.000 1.930) 11.819 9.123 ( 14.095 0.000 -0.989) 14.130 9.394 ( 5.716 0.000 -4.281) 7.142 9.566 ( -3.429 0.000 3.414) 4.838 9.645 ( -4.623 0.000 -2.955) 5.487 9.754 ( 1.918 0.000 -5.870) 6.175 9.878 ( 0.410 0.000 1.759) 1.806 10.466 ( 4.611 0.000 6.452) 7.930 10.616 ( -0.625 0.000 -1.602) 1.719 11.106 ( -1.277 0.000 -3.326) 3.563 11.149 ( 1.824 0.000 0.669) 1.943 11.221 ( 9.979 0.000 -11.591) 15.295 11.708 ( -1.086 0.000 12.517) 12.564 11.896 ( -0.488 0.000 12.056) 12.065 11.927 ( 0.388 0.000 -12.082) 12.088 12.428 ( 4.243 0.000 11.064) 11.849 12.500 ( -0.776 0.000 -8.717) 8.751 12.629 ( -3.117 0.000 5.347) 6.189 12.766 ( 4.817 0.000 -11.867) 12.807 12.842 ( -5.468 0.000 -9.601) 11.049 13.089 ( -2.000 0.000 18.438) 18.546 13.898 ( 11.973 0.000 -11.060) 16.299 14.105 ( 3.100 0.000 -0.164) 3.105 14.177 ( 9.475 0.000 5.412) 10.912 14.234 ( 6.186 0.000 -7.081) 9.403 14.441 ( -0.268 0.000 -5.217) 5.223 14.461 ( -1.124 0.000 8.881) 8.952 14.565 ( -3.431 0.000 2.697) 4.364 14.608 ( -2.133 0.000 6.468) 6.811 14.749 ( 2.659 0.000 -5.028) 5.688 14.818 ( -3.673 0.000 3.544) 5.104 14.927 ( -7.613 0.000 -0.132) 7.614 15.031 ( -11.668 0.000 3.665) 12.230 15.365 ( 1.636 0.000 -6.891) 7.082 15.386 ( 2.865 0.000 2.491) 3.796 15.829 ( -7.402 0.000 -4.220) 8.521 15.858 ( -1.883 0.000 1.416) 2.356 16.081 ( 13.398 0.000 -11.748) 17.819 16.219 ( 4.995 0.000 2.980) 5.816 16.249 ( -1.414 0.000 -5.730) 5.902 16.590 ( 2.140 0.000 9.585) 9.821 16.643 ( -9.476 0.000 5.882) 11.153 16.745 ( 1.492 0.000 -2.454) 2.872 16.832 ( -8.188 0.000 -5.162) 9.680 17.152 ( 1.809 0.000 5.376) 5.672 17.304 ( -13.398 0.000 9.354) 16.341 17.570 ( -7.695 0.000 0.685) 7.725 18.052 ( 4.590 0.000 -6.951) 8.330 18.165 ( -2.697 0.000 -4.141) 4.942 18.633 ( 12.872 0.000 -8.879) 15.638 18.992 ( -1.041 0.000 12.213) 12.257 20.624 ( 9.219 0.000 4.435) 10.230 20.892 ( 3.457 0.000 2.857) 4.485 21.313 ( -3.036 0.000 0.792) 3.138 21.432 ( -9.810 0.000 -8.775) 13.162 21.513 ( 5.816 0.000 -3.268) 6.671 21.753 ( -3.274 0.000 3.095) 4.505 22.061 ( 3.270 0.000 -0.808) 3.368 22.090 ( 8.293 0.000 -6.058) 10.269 22.290 ( -3.652 0.000 -4.804) 6.034 22.453 ( -2.536 0.000 8.338) 8.715 22.656 ( 6.411 0.000 -11.974) 13.583 22.836 ( -2.925 0.000 11.605) 11.968 22.987 ( 4.585 0.000 8.682) 9.818 23.198 ( -4.065 0.000 -7.869) 8.857 23.371 ( 2.593 0.000 2.684) 3.732 23.431 ( 2.112 0.000 0.894) 2.294 23.635 ( 4.566 0.000 4.444) 6.372 23.707 ( 8.329 0.000 -1.833) 8.528 24.120 ( -0.653 0.000 -11.116) 11.135 24.210 ( -3.761 0.000 8.899) 9.661 24.280 ( -0.832 0.000 -3.433) 3.533 24.781 ( -4.734 0.000 -3.246) 5.740 25.161 ( 0.131 0.000 -7.443) 7.444 25.561 ( -7.959 0.000 7.566) 10.982 28.985 ( -1.121 0.000 -1.335) 1.743 28.985 ( -1.328 0.000 1.100) 1.724 29.541 ( -0.204 0.000 -1.048) 1.068 29.578 ( -0.976 0.000 3.574) 3.705 29.797 ( 0.262 0.000 -1.269) 1.296 29.871 ( -2.141 0.000 2.804) 3.527 29.910 ( -1.217 0.000 1.190) 1.703 29.917 ( -2.392 0.000 -1.879) 3.042 29.983 ( 1.113 0.000 -1.061) 1.537 30.030 ( 1.863 0.000 -1.272) 2.256 30.158 ( 3.915 0.000 -2.366) 4.574 30.292 ( -0.848 0.000 -4.451) 4.531 30.426 ( -1.952 0.000 2.935) 3.524 30.432 ( -3.741 0.000 4.310) 5.708 30.768 ( 3.985 0.000 6.147) 7.325 30.828 ( 1.610 0.000 -2.689) 3.134 31.049 ( 1.441 0.000 1.124) 1.827 31.100 ( -1.370 0.000 1.875) 2.322 31.420 ( 0.859 0.000 -12.787) 12.815 31.606 ( 5.605 0.000 15.460) 16.445 31.676 ( -6.849 0.000 8.360) 10.807 31.848 ( -3.520 0.000 -13.039) 13.506 32.016 ( 6.773 0.000 14.011) 15.562 32.162 ( 3.321 0.000 -5.077) 6.067 32.704 ( -11.658 0.000 -1.220) 11.722 32.778 ( -13.002 0.000 -5.792) 14.233 33.308 ( -5.893 0.000 0.739) 5.939 33.369 ( -10.114 0.000 -3.166) 10.598 34.417 ( 8.452 0.000 -14.416) 16.711 34.492 ( 6.471 0.000 20.235) 21.245 34.810 ( 12.601 0.000 10.125) 16.165 35.037 ( 4.436 0.000 -15.504) 16.126 ======================= Grid point 137 (68/80) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 5.940 0.000 -4.914) 7.709 2.375 ( -5.940 0.000 4.914) 7.709 2.939 ( -2.588 0.000 -11.517) 11.804 2.939 ( 2.588 0.000 11.517) 11.804 3.477 ( 4.738 0.000 -3.115) 5.670 3.477 ( -4.738 0.000 3.115) 5.670 3.629 ( 2.920 0.000 -2.946) 4.148 3.629 ( -2.920 0.000 2.946) 4.148 3.691 ( 12.085 0.000 -18.012) 21.690 3.691 ( -12.085 0.000 18.012) 21.690 3.927 ( 12.732 0.000 -6.687) 14.381 3.927 ( -12.732 0.000 6.687) 14.381 4.388 ( -11.310 0.000 1.248) 11.379 4.388 ( 11.310 0.000 -1.248) 11.379 4.595 ( -2.635 0.000 -12.287) 12.567 4.595 ( 2.635 0.000 12.287) 12.567 4.714 ( -9.398 0.000 3.099) 9.896 4.714 ( 9.398 0.000 -3.099) 9.896 4.928 ( -14.099 0.000 -2.980) 14.410 4.928 ( 14.099 0.000 2.980) 14.410 5.084 ( 6.710 0.000 -3.100) 7.392 5.084 ( -6.710 0.000 3.100) 7.392 5.290 ( 11.205 0.000 -21.859) 24.563 5.290 ( -11.205 0.000 21.859) 24.563 5.528 ( 4.178 0.000 -5.170) 6.647 5.528 ( -4.178 0.000 5.170) 6.647 5.624 ( -2.623 0.000 -15.044) 15.271 5.624 ( 2.623 0.000 15.044) 15.271 6.267 ( 9.571 0.000 -13.677) 16.693 6.267 ( -9.571 0.000 13.677) 16.693 6.402 ( -8.161 0.000 -16.271) 18.203 6.402 ( 8.161 0.000 16.271) 18.203 6.466 ( 8.746 0.000 -4.168) 9.688 6.466 ( -8.746 0.000 4.168) 9.688 7.045 ( 0.200 0.000 -2.572) 2.580 7.045 ( -0.200 0.000 2.572) 2.580 7.131 ( 3.034 0.000 -5.395) 6.190 7.131 ( -3.034 0.000 5.395) 6.190 7.294 ( 5.829 0.000 -11.589) 12.972 7.294 ( -5.829 0.000 11.589) 12.972 7.472 ( 0.207 0.000 -6.169) 6.173 7.472 ( -0.207 0.000 6.169) 6.173 7.805 ( 4.508 0.000 -15.841) 16.470 7.805 ( -4.508 0.000 15.841) 16.470 8.085 ( 2.961 0.000 -12.144) 12.499 8.085 ( -2.961 0.000 12.144) 12.499 8.501 ( 4.194 0.000 -5.477) 6.899 8.501 ( -4.194 0.000 5.477) 6.899 8.785 ( 7.159 0.000 -4.194) 8.297 8.785 ( -7.159 0.000 4.194) 8.297 9.369 ( -8.305 0.000 -1.230) 8.395 9.369 ( 8.305 0.000 1.230) 8.395 9.557 ( -3.260 0.000 -1.698) 3.676 9.557 ( 3.260 0.000 1.698) 3.676 9.817 ( 4.107 0.000 -6.066) 7.325 9.817 ( -4.107 0.000 6.066) 7.325 10.565 ( -3.744 0.000 -7.280) 8.187 10.565 ( 3.744 0.000 7.280) 8.187 11.104 ( 1.585 0.000 -6.925) 7.104 11.104 ( -1.585 0.000 6.925) 7.104 11.539 ( 13.329 0.000 -21.874) 25.615 11.539 ( -13.329 0.000 21.874) 25.615 11.923 ( -0.925 0.000 -9.410) 9.455 11.923 ( 0.925 0.000 9.410) 9.455 12.476 ( -0.732 0.000 -1.612) 1.770 12.476 ( 0.732 0.000 1.612) 1.770 12.679 ( -6.797 0.000 -12.166) 13.936 12.679 ( 6.797 0.000 12.166) 13.936 12.957 ( 9.550 0.000 -16.348) 18.933 12.957 ( -9.550 0.000 16.348) 18.933 14.099 ( 4.431 0.000 -5.702) 7.221 14.099 ( -4.431 0.000 5.702) 7.221 14.311 ( 0.764 0.000 -6.498) 6.543 14.311 ( -0.764 0.000 6.498) 6.543 14.421 ( -0.901 0.000 -1.508) 1.757 14.421 ( 0.901 0.000 1.508) 1.757 14.588 ( 3.033 0.000 -9.844) 10.301 14.588 ( -3.033 0.000 9.844) 10.301 14.765 ( -3.203 0.000 -0.694) 3.277 14.765 ( 3.203 0.000 0.694) 3.277 14.846 ( 6.033 0.000 -5.134) 7.921 14.846 ( -6.033 0.000 5.134) 7.921 15.412 ( 2.105 0.000 -3.040) 3.698 15.412 ( -2.105 0.000 3.040) 3.698 15.768 ( 3.272 0.000 -2.738) 4.266 15.768 ( -3.272 0.000 2.738) 4.266 16.264 ( 0.813 0.000 -2.605) 2.728 16.264 ( -0.813 0.000 2.605) 2.728 16.391 ( 13.757 0.000 -9.036) 16.459 16.391 ( -13.757 0.000 9.036) 16.459 16.667 ( -5.171 0.000 -8.397) 9.861 16.667 ( 5.171 0.000 8.397) 9.861 16.897 ( 12.184 0.000 -12.229) 17.263 16.897 ( -12.184 0.000 12.229) 17.263 17.388 ( -8.853 0.000 0.547) 8.870 17.388 ( 8.853 0.000 -0.547) 8.869 18.124 ( 2.198 0.000 -2.936) 3.667 18.124 ( -2.198 0.000 2.936) 3.667 18.875 ( 9.195 0.000 -9.086) 12.927 18.875 ( -9.195 0.000 9.086) 12.927 20.842 ( -8.498 0.000 -0.867) 8.542 20.842 ( 8.498 0.000 0.867) 8.542 21.286 ( -1.875 0.000 -7.513) 7.744 21.286 ( 1.875 0.000 7.513) 7.744 21.652 ( 6.197 0.000 -4.092) 7.426 21.652 ( -6.197 0.000 4.092) 7.426 22.158 ( -4.589 0.000 0.991) 4.695 22.158 ( 4.589 0.000 -0.991) 4.695 22.316 ( 8.470 0.000 -10.489) 13.481 22.316 ( -8.470 0.000 10.489) 13.481 22.772 ( 4.093 0.000 -10.790) 11.540 22.772 ( -4.093 0.000 10.790) 11.540 23.081 ( -5.023 0.000 -8.289) 9.692 23.081 ( 5.023 0.000 8.289) 9.692 23.431 ( -1.643 0.000 0.136) 1.648 23.431 ( 1.643 0.000 -0.136) 1.648 23.748 ( -4.404 0.000 -5.302) 6.892 23.748 ( 4.404 0.000 5.302) 6.892 24.147 ( 2.124 0.000 -10.094) 10.315 24.147 ( -2.124 0.000 10.094) 10.315 24.467 ( -17.109 0.000 -2.946) 17.361 24.467 ( 17.109 0.000 2.946) 17.361 25.348 ( 11.463 0.000 -7.653) 13.783 25.348 ( -11.463 0.000 7.653) 13.783 28.971 ( -0.032 0.000 -0.963) 0.964 28.971 ( 0.032 0.000 0.963) 0.964 29.553 ( 1.153 0.000 -1.927) 2.245 29.553 ( -1.153 0.000 1.927) 2.245 29.818 ( 1.899 0.000 -0.787) 2.055 29.818 ( -1.899 0.000 0.787) 2.055 29.893 ( 0.079 0.000 -1.952) 1.953 29.893 ( -0.079 0.000 1.952) 1.953 30.021 ( -1.935 0.000 -0.578) 2.020 30.021 ( 1.935 0.000 0.578) 2.020 30.271 ( -3.838 0.000 0.948) 3.953 30.271 ( 3.838 0.000 -0.948) 3.953 30.375 ( 0.226 0.000 -2.131) 2.143 30.375 ( -0.226 0.000 2.131) 2.143 30.832 ( -1.579 0.000 -5.439) 5.663 30.832 ( 1.579 0.000 5.439) 5.663 31.076 ( -1.096 0.000 0.247) 1.123 31.076 ( 1.096 0.000 -0.247) 1.123 31.513 ( 7.263 0.000 -8.219) 10.969 31.513 ( -7.263 0.000 8.219) 10.969 31.737 ( -5.975 0.000 -15.325) 16.449 31.737 ( 5.975 0.000 15.325) 16.449 32.151 ( -4.427 0.000 -9.287) 10.289 32.151 ( 4.427 0.000 9.287) 10.289 32.596 ( -2.532 0.000 -0.985) 2.717 32.596 ( 2.532 0.000 0.985) 2.717 33.255 ( -1.066 0.000 -2.947) 3.134 33.255 ( 1.066 0.000 2.947) 3.134 34.536 ( 2.362 0.000 -18.464) 18.615 34.536 ( -2.362 0.000 18.464) 18.615 35.015 ( -5.744 0.000 -13.126) 14.327 35.015 ( 5.744 0.000 13.126) 14.327 ======================= Grid point 141 (69/80) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 4.179 11.533 -28.624) 31.142 2.265 ( -4.179 11.533 28.624) 31.142 2.623 ( -4.265 3.431 -30.345) 30.835 2.623 ( 4.265 3.431 30.345) 30.835 3.434 ( 2.426 4.810 -11.012) 12.259 3.434 ( -2.426 4.810 11.012) 12.259 3.549 ( -0.704 3.061 -12.798) 13.178 3.549 ( 0.704 3.061 12.798) 13.178 3.793 ( 5.264 1.456 -5.664) 7.868 3.793 ( -5.264 1.456 5.664) 7.868 3.971 ( 3.143 -1.329 -6.623) 7.450 3.971 ( -3.143 -1.329 6.623) 7.450 4.354 ( -1.929 -2.520 -12.135) 12.543 4.354 ( 1.929 -2.520 12.135) 12.543 4.480 ( -4.261 -2.858 -4.566) 6.868 4.480 ( 4.261 -2.858 4.566) 6.868 4.557 ( 4.788 -7.054 -10.852) 13.801 4.557 ( -4.788 -7.054 10.852) 13.801 4.705 ( -3.864 -3.593 -10.192) 11.477 4.705 ( 3.864 -3.593 10.192) 11.477 4.956 ( 1.027 -2.153 -1.060) 2.610 4.956 ( -1.027 -2.153 1.060) 2.610 5.430 ( 0.304 2.645 -16.134) 16.352 5.430 ( -0.304 2.645 16.134) 16.352 5.740 ( -8.549 3.100 -8.297) 12.310 5.740 ( 8.549 3.100 8.297) 12.310 5.915 ( -2.510 6.623 -8.275) 10.892 5.915 ( 2.510 6.623 8.275) 10.892 6.096 ( 5.546 1.685 -4.144) 7.126 6.096 ( -5.546 1.685 4.144) 7.126 6.343 ( -2.568 -5.180 -14.331) 15.453 6.343 ( 2.568 -5.180 14.331) 15.453 6.768 ( 3.324 9.496 -3.802) 10.756 6.768 ( -3.324 9.496 3.802) 10.756 6.870 ( -0.506 4.534 -1.520) 4.809 6.870 ( 0.506 4.534 1.520) 4.809 7.197 ( -4.130 -4.381 -4.013) 7.236 7.197 ( 4.130 -4.381 4.013) 7.236 7.390 ( -9.151 1.070 -0.029) 9.214 7.390 ( 9.151 1.070 0.029) 9.214 7.764 ( -5.624 -1.405 -3.930) 7.003 7.764 ( 5.624 -1.405 3.930) 7.003 8.005 ( -6.437 -3.988 -3.266) 8.247 8.005 ( 6.437 -3.988 3.266) 8.247 8.088 ( -2.997 -0.991 -7.984) 8.585 8.088 ( 2.997 -0.991 7.984) 8.585 8.482 ( -3.469 3.023 -2.692) 5.331 8.482 ( 3.469 3.023 2.692) 5.331 8.839 ( 11.127 -1.069 -8.594) 14.100 8.839 ( -11.127 -1.069 8.594) 14.100 9.278 ( 5.590 -3.609 -4.401) 7.978 9.278 ( -5.590 -3.609 4.401) 7.978 9.563 ( 1.824 7.786 -2.071) 8.260 9.563 ( -1.824 7.786 2.071) 8.260 9.697 ( 2.337 -0.213 -3.592) 4.291 9.697 ( -2.337 -0.213 3.592) 4.291 10.382 ( 1.848 -0.765 -3.642) 4.155 10.382 ( -1.848 -0.765 3.642) 4.155 11.151 ( -6.855 -3.196 -3.609) 8.380 11.151 ( 6.855 -3.196 3.609) 8.380 11.327 ( 2.078 -1.351 -5.787) 6.295 11.327 ( -2.078 -1.351 5.787) 6.295 11.964 ( 1.179 -2.142 -10.589) 10.867 11.964 ( -1.179 -2.142 10.589) 10.867 12.378 ( 3.157 0.232 -19.711) 19.964 12.378 ( -3.157 0.232 19.711) 19.964 12.786 ( 0.077 -0.963 -2.587) 2.762 12.786 ( -0.077 -0.963 2.587) 2.762 12.941 ( -1.802 -2.209 -14.506) 14.783 12.941 ( 1.802 -2.209 14.506) 14.783 13.682 ( -3.850 0.085 -8.024) 8.901 13.682 ( 3.850 0.085 8.024) 8.901 14.019 ( -2.815 -6.943 -2.820) 8.005 14.019 ( 2.815 -6.943 2.820) 8.005 14.396 ( -1.360 -2.081 -2.862) 3.791 14.396 ( 1.360 -2.081 2.862) 3.791 14.750 ( 0.363 4.104 -5.886) 7.185 14.750 ( -0.363 4.104 5.886) 7.185 14.905 ( 2.428 5.112 -5.512) 7.900 14.905 ( -2.428 5.112 5.512) 7.900 15.156 ( 4.104 7.019 -4.574) 9.329 15.156 ( -4.104 7.019 4.574) 9.329 15.393 ( 1.697 -2.388 -2.563) 3.893 15.393 ( -1.697 -2.388 2.563) 3.893 15.827 ( -4.702 -2.454 -6.832) 8.649 15.827 ( 4.702 -2.454 6.832) 8.649 16.027 ( -7.446 -0.849 -3.151) 8.130 16.027 ( 7.446 -0.849 3.151) 8.130 16.385 ( -4.017 -6.268 -1.240) 7.547 16.385 ( 4.017 -6.268 1.240) 7.547 16.751 ( -2.307 -0.845 -0.353) 2.482 16.751 ( 2.307 -0.845 0.353) 2.482 17.069 ( 5.593 1.290 -5.075) 7.661 17.069 ( -5.593 1.290 5.075) 7.661 17.741 ( 1.519 -7.714 -6.386) 10.129 17.741 ( -1.519 -7.714 6.386) 10.129 18.120 ( 9.195 5.986 -12.841) 16.890 18.120 ( -9.195 5.986 12.841) 16.890 18.566 ( -16.133 -2.331 -9.177) 18.706 18.566 ( 16.133 -2.331 9.177) 18.706 20.636 ( -0.233 4.570 -3.796) 5.946 20.636 ( 0.233 4.570 3.796) 5.946 21.348 ( 1.501 -4.219 -6.369) 7.785 21.348 ( -1.501 -4.219 6.369) 7.785 21.756 ( 1.257 1.210 -2.155) 2.773 21.756 ( -1.257 1.210 2.155) 2.773 22.079 ( -7.081 4.099 -4.951) 9.563 22.079 ( 7.081 4.099 4.951) 9.563 22.379 ( -2.234 2.565 -5.872) 6.785 22.379 ( 2.234 2.565 5.872) 6.785 22.515 ( -3.844 2.344 -1.782) 4.842 22.515 ( 3.844 2.344 1.782) 4.842 22.988 ( 3.615 -6.715 -6.013) 9.712 22.988 ( -3.615 -6.715 6.013) 9.712 23.438 ( -2.996 0.256 -1.437) 3.333 23.438 ( 2.996 0.256 1.437) 3.333 23.578 ( -2.849 2.959 -1.135) 4.262 23.578 ( 2.849 2.959 1.135) 4.262 24.322 ( 0.288 5.264 -11.398) 12.558 24.322 ( -0.288 5.264 11.398) 12.558 24.463 ( -3.321 -1.333 -2.811) 4.550 24.463 ( 3.321 -1.333 2.811) 4.550 25.576 ( -6.213 -2.963 -6.512) 9.475 25.576 ( 6.213 -2.963 6.512) 9.475 29.087 ( -0.498 5.220 -0.274) 5.251 29.087 ( 0.498 5.220 0.274) 5.251 29.623 ( -0.324 2.615 -4.211) 4.968 29.623 ( 0.324 2.615 4.211) 4.968 29.764 ( -0.745 -4.917 -0.649) 5.015 29.764 ( 0.745 -4.917 0.649) 5.015 29.889 ( -1.680 0.268 -1.512) 2.276 29.889 ( 1.680 0.268 1.512) 2.276 30.096 ( -0.829 2.055 -1.485) 2.667 30.096 ( 0.829 2.055 1.485) 2.667 30.232 ( -0.946 0.519 -0.686) 1.279 30.232 ( 0.946 0.519 0.686) 1.279 30.497 ( -2.581 1.436 -0.884) 3.083 30.497 ( 2.581 1.436 0.884) 3.083 30.701 ( 3.082 -0.995 -1.878) 3.744 30.701 ( -3.082 -0.995 1.878) 3.744 31.108 ( -2.752 1.261 -4.339) 5.291 31.108 ( 2.752 1.261 4.339) 5.291 31.449 ( 0.429 -5.217 -14.710) 15.613 31.449 ( -0.429 -5.217 14.710) 15.613 31.832 ( -2.719 0.211 -3.396) 4.355 31.832 ( 2.719 0.211 3.396) 4.355 31.989 ( -3.472 8.537 -3.546) 9.874 31.989 ( 3.472 8.537 3.546) 9.874 33.064 ( 0.808 -14.195 -10.199) 17.498 33.064 ( -0.808 -14.195 10.199) 17.498 33.859 ( -13.410 2.116 -8.130) 15.824 33.859 ( 13.410 2.116 8.130) 15.824 34.149 ( 0.310 0.785 -4.675) 4.751 34.149 ( -0.310 0.785 4.675) 4.751 34.420 ( 10.288 1.170 -4.114) 11.142 34.420 ( -10.288 1.170 4.114) 11.142 ======================= Grid point 143 (70/80) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.132 11.661 8.087) 14.192 2.338 ( 0.479 18.986 -2.685) 19.181 2.763 ( 12.412 -2.144 -22.463) 25.753 2.808 ( 10.756 3.121 9.020) 14.380 3.449 ( 3.456 -2.315 0.075) 4.160 3.459 ( -2.872 -0.425 -5.530) 6.246 3.502 ( -0.325 -0.040 8.936) 8.942 3.716 ( 3.894 1.754 -0.990) 4.384 3.794 ( 10.874 -0.629 4.859) 11.927 3.844 ( -4.806 1.099 7.931) 9.338 3.925 ( -3.635 4.410 -6.159) 8.402 3.957 ( 2.915 -1.526 -4.136) 5.285 4.196 ( -7.882 -2.999 -7.966) 11.600 4.282 ( -3.502 3.961 -1.621) 5.530 4.446 ( -0.976 -1.903 1.815) 2.806 4.516 ( 4.566 1.892 14.712) 15.520 4.606 ( 3.788 2.242 -1.426) 4.627 4.624 ( 0.941 5.291 -9.563) 10.970 4.753 ( 6.292 -8.707 3.324) 11.245 4.867 ( 4.924 -9.080 -2.063) 10.533 4.963 ( 3.963 -5.290 2.599) 7.102 5.009 ( 5.215 -5.206 -1.193) 7.465 5.326 ( -8.435 9.093 -5.920) 13.743 5.459 ( 2.659 2.164 10.208) 10.768 5.652 ( -3.943 -1.070 -15.404) 15.937 5.769 ( -5.365 -2.682 5.210) 7.945 5.878 ( 4.220 3.918 3.393) 6.684 6.032 ( 0.979 1.170 3.070) 3.428 6.051 ( 6.260 3.720 4.059) 8.336 6.147 ( -6.994 4.445 3.630) 9.047 6.267 ( -3.391 -0.875 -4.481) 5.687 6.417 ( 4.695 -3.334 3.624) 6.804 6.649 ( -3.382 12.505 0.632) 12.969 6.724 ( -5.342 6.615 -8.622) 12.109 6.803 ( -5.638 5.016 -7.105) 10.365 6.854 ( -3.929 5.517 7.073) 9.793 7.074 ( -2.251 -2.025 -4.683) 5.577 7.236 ( 0.051 -4.655 1.878) 5.020 7.270 ( -1.438 0.499 1.480) 2.123 7.479 ( -4.271 1.755 8.544) 9.712 7.592 ( -9.238 -6.264 0.444) 11.171 7.688 ( 1.998 -2.610 -6.393) 7.189 7.984 ( -4.405 -3.714 -7.304) 9.303 8.064 ( -0.438 -3.961 9.127) 9.959 8.165 ( 5.935 -3.134 -8.081) 10.505 8.269 ( 0.636 -3.441 6.028) 6.970 8.360 ( -11.118 0.941 7.403) 13.390 8.498 ( -5.543 1.806 0.288) 5.837 8.593 ( 4.668 4.910 1.662) 6.976 8.852 ( 3.952 -2.358 4.552) 6.472 9.215 ( -7.578 -2.284 -1.728) 8.101 9.389 ( 1.678 2.529 -8.834) 9.341 9.562 ( 1.414 4.720 8.340) 9.687 9.668 ( 3.998 0.547 -3.508) 5.347 9.748 ( 9.232 0.845 -4.734) 10.410 9.788 ( 2.537 3.524 -5.323) 6.869 10.357 ( 1.070 -3.138 3.672) 4.947 10.509 ( 8.140 -0.181 -0.609) 8.164 11.019 ( -2.593 -2.979 -8.162) 9.067 11.211 ( -3.911 2.084 0.494) 4.459 11.256 ( 1.649 2.427 6.692) 7.307 11.492 ( 8.267 -8.179 -3.890) 12.262 11.904 ( -3.667 -4.186 12.809) 13.966 11.964 ( -0.963 0.524 -7.388) 7.469 12.345 ( 0.636 -0.789 12.623) 12.664 12.462 ( 3.536 0.308 -12.337) 12.837 12.730 ( -4.045 -0.225 1.977) 4.508 12.751 ( -2.613 -0.504 -3.276) 4.220 12.912 ( -1.625 -1.480 -10.524) 10.751 13.001 ( 2.869 -4.627 16.552) 17.425 13.710 ( 6.597 1.547 -9.281) 11.492 13.862 ( 11.197 -2.164 5.179) 12.525 13.997 ( 1.955 -5.742 -1.240) 6.191 14.114 ( 4.941 -5.819 0.448) 7.647 14.367 ( -0.323 -0.652 -1.705) 1.854 14.462 ( 3.517 -2.078 1.484) 4.346 14.710 ( -1.510 1.759 2.542) 3.440 14.740 ( -4.938 6.827 2.693) 8.845 14.768 ( -4.384 3.509 1.330) 5.770 14.920 ( -2.904 5.533 0.756) 6.294 15.073 ( -5.845 4.143 1.372) 7.295 15.280 ( 4.999 1.743 -7.500) 9.180 15.336 ( -2.702 3.199 2.809) 5.042 15.369 ( -3.393 -1.696 -0.191) 3.798 15.794 ( 3.011 -1.157 -13.426) 13.808 15.887 ( -4.374 -3.669 1.328) 5.862 15.940 ( 4.347 -1.980 1.254) 4.939 16.148 ( 3.245 3.587 3.045) 5.716 16.307 ( -1.760 -4.325 -1.477) 4.897 16.499 ( 5.658 -6.381 2.753) 8.962 16.684 ( -2.664 -2.127 0.284) 3.420 16.774 ( -1.257 -1.367 -0.832) 2.035 16.905 ( -8.556 -3.548 7.173) 11.715 17.089 ( -3.593 -0.435 0.019) 3.620 17.608 ( -6.112 -7.434 0.637) 9.645 17.717 ( -14.828 -1.216 7.527) 16.674 17.937 ( 1.856 0.045 -2.238) 2.908 18.240 ( -7.484 -4.735 -15.353) 17.724 18.444 ( 12.259 8.476 -3.008) 15.205 18.880 ( 11.214 -1.058 11.242) 15.915 20.580 ( 1.494 6.227 3.545) 7.319 20.812 ( 9.137 4.552 -0.157) 10.209 21.292 ( -2.268 -5.331 1.857) 6.084 21.422 ( 4.150 -1.434 -5.089) 6.721 21.641 ( -7.074 1.633 -2.860) 7.803 21.805 ( 0.377 1.254 -2.039) 2.423 21.989 ( 0.960 2.980 -3.241) 4.506 22.134 ( -2.516 6.877 0.267) 7.327 22.342 ( -1.271 -0.244 -2.769) 3.057 22.464 ( 5.100 3.990 3.500) 7.361 22.533 ( 4.466 1.482 -4.445) 6.473 22.692 ( 9.617 -2.934 8.319) 13.050 22.914 ( -2.324 -4.767 5.062) 7.332 23.092 ( 5.286 -6.448 -4.267) 9.366 23.395 ( 0.665 1.458 -1.055) 1.919 23.493 ( -3.671 5.168 -0.230) 6.344 23.538 ( 4.686 -1.109 0.432) 4.835 23.631 ( 2.069 3.994 -1.001) 4.608 24.237 ( -3.999 5.815 -2.712) 7.560 24.315 ( -3.204 2.224 -0.778) 3.977 24.377 ( -5.267 1.533 -1.123) 5.600 24.595 ( 9.329 -4.185 1.660) 10.359 25.363 ( -12.653 -1.309 -6.208) 14.155 25.621 ( -2.114 -4.523 6.482) 8.183 29.060 ( -1.648 4.758 0.180) 5.039 29.076 ( -1.561 5.562 -0.532) 5.801 29.577 ( -2.688 1.087 -1.315) 3.184 29.599 ( -1.660 0.175 4.036) 4.368 29.785 ( -0.309 -1.956 -0.632) 2.079 29.804 ( 3.118 -5.427 -1.429) 6.420 29.861 ( 0.054 -1.748 0.452) 1.806 29.934 ( 1.401 -0.390 -1.167) 1.865 30.034 ( -2.363 2.480 -1.087) 3.594 30.088 ( -2.546 3.938 0.404) 4.707 30.159 ( -1.867 0.951 1.097) 2.365 30.314 ( 2.369 0.380 -1.000) 2.599 30.436 ( -2.648 0.955 -1.232) 3.073 30.531 ( -0.142 2.238 0.038) 2.243 30.679 ( 1.895 -0.581 5.269) 5.629 30.773 ( 2.984 -1.374 1.539) 3.628 31.044 ( -1.042 1.362 0.959) 1.965 31.162 ( 0.487 2.195 1.866) 2.922 31.436 ( 0.105 -2.149 -5.738) 6.128 31.494 ( 3.073 -1.522 7.769) 8.492 31.768 ( -3.396 -1.023 1.689) 3.928 31.884 ( 2.262 -0.491 9.954) 10.220 31.911 ( -2.139 3.293 -7.128) 8.138 32.116 ( 5.519 7.125 -2.151) 9.266 32.880 ( -13.021 -11.389 -2.724) 17.512 32.972 ( -8.229 -11.334 -0.583) 14.019 33.535 ( -14.449 3.248 -2.907) 15.093 33.724 ( -19.456 1.037 -0.698) 19.496 34.218 ( 10.309 0.420 4.617) 11.303 34.327 ( 11.686 5.540 2.790) 13.230 34.483 ( 12.763 -2.437 6.401) 14.484 34.784 ( 15.120 -3.110 -12.965) 20.159 ======================= Grid point 144 (71/80) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 9.611 10.888 -10.307) 17.809 2.437 ( 8.032 17.034 8.273) 20.570 2.894 ( 1.150 -2.424 4.172) 4.961 3.099 ( 9.360 2.245 -7.546) 12.231 3.313 ( -8.226 -4.677 3.941) 10.250 3.397 ( -0.982 -5.638 -11.828) 13.140 3.541 ( -2.102 -7.563 -1.426) 7.978 3.660 ( -7.801 0.305 -3.412) 8.520 3.798 ( 0.187 1.184 -1.434) 1.870 3.829 ( 0.394 6.912 9.261) 11.562 3.983 ( -2.017 6.623 5.857) 9.069 4.030 ( -0.451 -4.039 -0.528) 4.099 4.162 ( 13.508 -1.518 5.438) 14.640 4.394 ( 7.557 0.922 -9.967) 12.541 4.453 ( 2.227 0.951 -4.572) 5.174 4.644 ( 4.646 14.611 -10.546) 18.609 4.702 ( 3.912 4.530 9.298) 11.058 4.704 ( 5.594 -1.188 10.595) 12.040 4.793 ( 0.165 2.452 1.602) 2.933 4.890 ( 3.936 -7.295 -3.434) 8.972 5.061 ( 3.284 0.292 -2.049) 3.882 5.180 ( 5.582 -13.386 -2.056) 14.648 5.247 ( 0.425 10.011 -1.957) 10.210 5.447 ( -5.357 3.553 7.355) 9.768 5.494 ( -7.524 -1.168 5.687) 9.504 5.626 ( -2.943 -2.858 -6.637) 7.802 5.862 ( -15.386 7.435 7.597) 18.701 5.890 ( -13.980 6.320 4.142) 15.891 6.075 ( 8.516 0.416 -10.741) 13.714 6.206 ( 6.420 2.054 10.039) 12.092 6.281 ( 8.169 2.518 -3.667) 9.301 6.437 ( -3.145 -6.291 6.054) 9.280 6.580 ( -5.577 1.420 -12.467) 13.732 6.637 ( -6.886 4.124 0.853) 8.072 6.756 ( 3.795 2.034 -8.304) 9.354 6.885 ( 12.282 5.308 1.541) 13.468 7.080 ( 0.758 -2.390 1.205) 2.782 7.243 ( 0.429 -4.040 -1.446) 4.313 7.262 ( -2.764 3.532 -0.420) 4.504 7.389 ( -6.006 -3.761 5.682) 9.083 7.399 ( -2.328 -6.525 4.530) 8.278 7.690 ( -8.422 -0.111 -4.636) 9.614 7.795 ( -9.549 -2.190 -1.660) 9.936 7.944 ( -9.907 0.185 3.158) 10.400 8.109 ( 4.738 -1.261 0.534) 4.932 8.284 ( -2.352 6.343 0.922) 6.828 8.365 ( 7.886 -2.256 0.869) 8.248 8.439 ( 0.295 -5.312 4.668) 7.078 8.645 ( -1.289 -1.516 -0.061) 1.990 8.970 ( -13.537 -2.415 -0.746) 13.771 9.100 ( 12.828 -2.793 2.194) 13.310 9.431 ( 0.218 -0.866 -7.510) 7.563 9.567 ( 1.171 5.298 3.472) 6.442 9.701 ( -0.939 4.479 0.457) 4.599 9.790 ( -0.534 3.642 -5.685) 6.773 9.858 ( -0.368 -1.249 1.553) 2.026 10.438 ( 6.370 -1.523 2.080) 6.872 10.626 ( 1.055 0.272 -0.055) 1.091 11.112 ( 4.814 -0.830 -8.867) 10.124 11.159 ( 1.882 1.452 -0.188) 2.385 11.261 ( 2.110 3.310 -2.671) 4.748 11.609 ( 0.118 -9.155 7.413) 11.781 11.857 ( 0.810 -3.173 8.175) 8.807 11.945 ( -0.747 1.271 -4.493) 4.728 12.384 ( 2.211 -4.201 3.208) 5.730 12.495 ( -1.135 -0.343 -2.203) 2.501 12.648 ( -1.752 1.784 6.351) 6.826 12.759 ( 4.567 -0.759 -9.849) 10.883 12.837 ( -5.169 -0.475 -9.430) 10.764 13.028 ( -1.671 -5.632 16.064) 17.105 13.918 ( 11.470 1.223 -10.132) 15.352 14.045 ( 5.025 -3.802 -3.458) 7.188 14.145 ( 9.832 -3.018 8.834) 13.558 14.220 ( 4.316 -5.302 -1.630) 7.028 14.365 ( 0.393 1.367 -4.131) 4.369 14.538 ( 3.166 -0.447 3.957) 5.088 14.593 ( -6.391 4.256 5.839) 9.647 14.692 ( -3.408 3.648 -0.723) 5.044 14.720 ( 1.018 -0.720 -0.295) 1.281 14.838 ( -2.756 5.280 -0.310) 5.964 14.889 ( -9.338 0.488 2.459) 9.669 15.142 ( -11.601 5.887 0.830) 13.036 15.356 ( 2.424 0.027 -5.559) 6.064 15.397 ( 2.669 0.506 2.327) 3.577 15.788 ( -4.424 -3.350 -0.554) 5.577 15.854 ( -1.350 -0.756 -3.049) 3.419 16.081 ( 10.471 -0.438 -4.714) 11.492 16.220 ( 2.441 0.983 -3.250) 4.182 16.323 ( 4.360 5.474 -3.834) 7.979 16.591 ( 2.194 -2.100 6.920) 7.558 16.619 ( -5.622 -3.448 1.444) 6.751 16.695 ( -2.765 -2.578 4.436) 5.828 16.755 ( -5.428 -6.486 -2.278) 8.759 17.055 ( 3.721 -9.632 3.286) 10.836 17.281 ( -21.081 -0.368 8.636) 22.785 17.464 ( -9.723 -9.559 -2.080) 13.793 18.022 ( 4.634 -2.908 -6.205) 8.273 18.150 ( -1.606 -2.000 -3.689) 4.494 18.722 ( 12.256 7.901 -5.883) 15.724 19.012 ( 0.853 1.575 10.214) 10.370 20.701 ( 9.112 7.367 5.011) 12.744 20.971 ( 3.993 6.551 0.722) 7.706 21.254 ( -0.799 -3.623 2.030) 4.229 21.452 ( -7.476 0.508 -10.210) 12.665 21.545 ( 4.965 3.194 -3.391) 6.809 21.778 ( -3.006 1.885 1.724) 3.944 22.040 ( 1.860 -1.234 -0.042) 2.232 22.122 ( 2.508 0.987 -1.520) 3.094 22.296 ( -1.722 1.454 -3.853) 4.464 22.499 ( -3.245 5.485 4.013) 7.531 22.659 ( 6.727 -0.068 -10.725) 12.661 22.803 ( 1.341 -2.037 10.806) 11.078 22.945 ( 3.932 -3.137 6.044) 7.863 23.139 ( -2.203 -5.237 -4.876) 7.487 23.441 ( 2.486 4.608 3.245) 6.160 23.484 ( 2.205 3.729 -0.620) 4.376 23.629 ( 4.119 -0.241 2.130) 4.643 23.710 ( 5.290 0.547 -1.752) 5.600 24.154 ( -3.052 4.131 -6.227) 8.072 24.248 ( -5.556 2.332 3.195) 6.820 24.291 ( 2.776 2.114 0.225) 3.497 24.757 ( -0.758 -2.663 -2.270) 3.581 25.128 ( -3.167 -2.677 -6.525) 7.732 25.503 ( -8.485 -5.850 6.458) 12.163 29.027 ( -1.262 4.486 1.193) 4.810 29.036 ( -1.744 4.925 -1.396) 5.408 29.535 ( -0.922 -0.728 -0.904) 1.482 29.567 ( -1.527 -1.435 2.763) 3.468 29.778 ( 0.334 -1.711 -0.190) 1.754 29.831 ( -1.078 -3.870 0.181) 4.021 29.867 ( 0.440 -1.917 0.556) 2.044 29.914 ( -2.471 -1.696 -1.351) 3.288 30.021 ( 0.581 3.277 -0.218) 3.335 30.067 ( 0.303 3.228 -0.173) 3.246 30.158 ( 2.356 -0.112 -1.438) 2.763 30.342 ( 1.846 3.034 -3.374) 4.899 30.366 ( -4.194 -1.232 1.888) 4.762 30.503 ( -2.812 4.558 4.084) 6.735 30.754 ( 4.218 -1.345 1.029) 4.545 30.830 ( 2.021 -0.245 1.681) 2.640 31.067 ( 2.313 2.206 3.803) 4.968 31.148 ( -1.246 3.997 -1.219) 4.361 31.435 ( 1.277 1.673 -8.624) 8.877 31.593 ( 4.706 -1.323 11.830) 12.801 31.673 ( -5.349 0.176 5.925) 7.984 31.849 ( -4.254 -0.124 -12.294) 13.010 31.961 ( 5.019 -4.536 12.204) 13.954 32.181 ( -0.566 0.530 -4.999) 5.059 32.629 ( -6.959 -4.769 -2.190) 8.716 32.794 ( -8.228 -0.983 -1.433) 8.410 33.279 ( -8.157 -1.354 -0.395) 8.278 33.375 ( -11.746 -0.271 -2.715) 12.059 34.436 ( 8.871 1.926 -5.398) 10.561 34.525 ( 5.673 3.451 10.686) 12.581 34.774 ( 12.443 -3.654 10.031) 16.395 34.993 ( 4.369 -4.462 -14.564) 15.846 ======================= Grid point 145 (72/80) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 8.120 10.449 -8.843) 15.916 2.488 ( -8.120 10.449 8.843) 15.916 2.937 ( 1.721 -0.456 -10.261) 10.414 2.937 ( -1.721 -0.456 10.261) 10.414 3.402 ( -5.464 -3.931 -0.219) 6.735 3.402 ( 5.464 -3.931 0.219) 6.735 3.538 ( 2.823 -8.392 -8.359) 12.177 3.538 ( -2.823 -8.392 8.359) 12.177 3.782 ( 1.724 9.732 -9.822) 13.934 3.782 ( -1.724 9.732 9.822) 13.934 4.012 ( -3.501 5.332 -0.903) 6.443 4.012 ( 3.501 5.332 0.903) 6.443 4.362 ( -6.429 -1.939 -3.104) 7.398 4.362 ( 6.429 -1.939 3.104) 7.398 4.639 ( 0.876 -2.319 -9.625) 9.939 4.639 ( -0.876 -2.319 9.625) 9.939 4.729 ( 0.126 3.564 -7.329) 8.151 4.729 ( -0.126 3.564 7.329) 8.151 4.962 ( 1.311 -0.454 -6.087) 6.243 4.962 ( -1.311 -0.454 6.087) 6.243 5.049 ( 0.150 1.625 -5.663) 5.894 5.049 ( -0.150 1.625 5.663) 5.894 5.406 ( 1.276 8.505 -17.156) 19.191 5.406 ( -1.276 8.505 17.156) 19.191 5.497 ( -2.608 2.564 -7.881) 8.689 5.497 ( 2.608 2.564 7.881) 8.689 5.655 ( 2.579 2.229 -10.711) 11.241 5.655 ( -2.579 2.229 10.711) 11.241 6.251 ( 6.965 -1.819 -10.347) 12.605 6.251 ( -6.965 -1.819 10.347) 12.605 6.399 ( -5.553 -0.994 -12.147) 13.394 6.399 ( 5.553 -0.994 12.147) 13.394 6.493 ( -5.253 3.402 -0.834) 6.313 6.493 ( 5.253 3.402 0.834) 6.313 7.003 ( -3.250 -8.352 -1.290) 9.054 7.003 ( 3.250 -8.352 1.290) 9.054 7.082 ( 1.439 -1.265 -2.583) 3.216 7.082 ( -1.439 -1.265 2.583) 3.216 7.322 ( 3.264 2.744 -7.078) 8.263 7.322 ( -3.264 2.744 7.078) 8.263 7.436 ( -5.920 -1.235 -5.230) 7.995 7.436 ( 5.920 -1.235 5.230) 7.995 7.777 ( 2.850 -0.570 -9.383) 9.823 7.777 ( -2.850 -0.570 9.383) 9.823 8.208 ( 3.744 5.846 -4.741) 8.407 8.208 ( -3.744 5.846 4.741) 8.407 8.509 ( -5.767 0.858 -3.159) 6.631 8.509 ( 5.767 0.858 3.159) 6.631 8.667 ( -5.222 -9.200 -5.895) 12.110 8.667 ( 5.222 -9.200 5.895) 12.110 9.325 ( -8.230 -5.465 -2.206) 10.123 9.325 ( 8.230 -5.465 2.206) 10.123 9.642 ( -1.373 8.563 -2.393) 8.996 9.642 ( 1.373 8.563 2.393) 8.996 9.812 ( 1.431 0.679 -4.983) 5.229 9.812 ( -1.431 0.679 4.983) 5.229 10.576 ( -2.153 0.610 -6.077) 6.476 10.576 ( 2.153 0.610 6.077) 6.476 11.139 ( 1.360 2.844 -6.552) 7.271 11.139 ( -1.360 2.844 6.552) 7.271 11.479 ( 10.951 -5.886 -17.970) 21.851 11.479 ( -10.951 -5.886 17.970) 21.852 11.914 ( -0.548 -0.360 -8.185) 8.211 11.914 ( 0.548 -0.360 8.185) 8.211 12.435 ( 0.238 -3.923 -2.019) 4.418 12.435 ( -0.238 -3.923 2.019) 4.418 12.704 ( -5.411 2.155 -11.135) 12.566 12.704 ( 5.411 2.155 11.135) 12.566 12.917 ( 8.062 -3.577 -14.126) 16.653 12.917 ( -8.062 -3.577 14.126) 16.653 14.099 ( 1.174 0.088 -5.427) 5.554 14.099 ( -1.174 0.088 5.427) 5.554 14.245 ( -1.057 -5.729 -4.196) 7.179 14.245 ( 1.057 -5.729 4.196) 7.179 14.458 ( 5.020 4.185 -4.177) 7.756 14.458 ( -5.020 4.185 4.177) 7.756 14.608 ( -3.808 -3.833 -5.134) 7.453 14.608 ( 3.808 -3.833 5.134) 7.453 14.741 ( 2.211 4.621 -5.720) 7.678 14.741 ( -2.211 4.621 5.720) 7.678 14.916 ( -4.053 4.986 -1.534) 6.606 14.916 ( 4.053 4.986 1.534) 6.606 15.405 ( 2.357 -1.023 -3.084) 4.014 15.405 ( -2.357 -1.023 3.084) 4.014 15.774 ( -0.653 0.390 -2.891) 2.989 15.774 ( 0.653 0.390 2.891) 2.989 16.244 ( -1.806 -1.237 -2.372) 3.228 16.244 ( 1.806 -1.237 2.372) 3.228 16.441 ( 4.204 3.558 -5.450) 7.748 16.441 ( -4.204 3.558 5.450) 7.748 16.646 ( -3.724 -2.580 -6.683) 8.074 16.646 ( 3.724 -2.580 6.683) 8.074 16.855 ( 3.216 -3.058 -6.731) 8.062 16.855 ( -3.216 -3.058 6.731) 8.062 17.238 ( -10.536 -13.096 -2.954) 17.066 17.238 ( 10.536 -13.096 2.954) 17.066 18.108 ( 3.036 -1.847 -3.163) 4.758 18.108 ( -3.036 -1.847 3.163) 4.758 18.937 ( 6.751 5.177 -7.641) 11.435 18.937 ( -6.751 5.177 7.641) 11.435 20.914 ( -7.112 6.775 -5.495) 11.255 20.914 ( 7.112 6.775 5.495) 11.255 21.300 ( -4.673 1.306 -8.258) 9.578 21.300 ( 4.673 1.306 8.258) 9.578 21.677 ( 4.413 2.306 -4.350) 6.612 21.677 ( -4.413 2.306 4.350) 6.612 22.103 ( -3.773 -5.953 0.153) 7.049 22.103 ( 3.773 -5.953 -0.153) 7.049 22.367 ( 2.304 6.421 -8.453) 10.862 22.367 ( -2.304 6.421 8.453) 10.862 22.781 ( 3.862 0.555 -11.001) 11.673 22.781 ( -3.862 0.555 11.001) 11.673 23.043 ( -5.169 -3.109 -5.791) 8.362 23.043 ( 5.169 -3.109 5.791) 8.362 23.491 ( -1.001 4.545 -4.412) 6.413 23.491 ( 1.001 4.545 4.412) 6.413 23.730 ( -3.736 -1.720 -4.010) 5.745 23.730 ( 3.736 -1.720 4.010) 5.745 24.151 ( 1.096 0.877 -7.556) 7.685 24.151 ( -1.096 0.877 7.556) 7.685 24.505 ( -14.879 3.728 -3.940) 15.837 24.505 ( 14.879 3.728 3.940) 15.837 25.283 ( 8.358 -6.477 -6.327) 12.323 25.283 ( -8.358 -6.477 6.327) 12.323 29.014 ( -0.155 4.369 -1.679) 4.683 29.014 ( 0.155 4.369 1.679) 4.683 29.538 ( 0.954 -1.658 -1.685) 2.549 29.538 ( -0.954 -1.658 1.685) 2.549 29.798 ( -0.962 -1.841 -0.206) 2.087 29.798 ( 0.962 -1.841 0.206) 2.087 29.877 ( -0.311 -1.567 -2.238) 2.750 29.877 ( 0.311 -1.567 2.238) 2.750 30.047 ( -0.948 2.341 -1.185) 2.790 30.047 ( 0.948 2.341 1.185) 2.790 30.258 ( 4.885 -1.877 -3.765) 6.447 30.258 ( -4.885 -1.877 3.765) 6.447 30.417 ( 4.527 4.864 -4.736) 8.160 30.417 ( -4.527 4.864 4.736) 8.160 30.830 ( 0.135 -0.425 -5.551) 5.569 30.830 ( -0.135 -0.425 5.551) 5.569 31.115 ( -1.568 3.847 -3.518) 5.444 31.115 ( 1.568 3.847 3.518) 5.444 31.521 ( 3.404 0.801 -7.033) 7.855 31.521 ( -3.404 0.801 7.033) 7.855 31.727 ( -6.117 -0.846 -14.126) 15.417 31.727 ( 6.117 -0.846 14.126) 15.417 32.090 ( -6.178 -5.768 -9.652) 12.830 32.090 ( 6.178 -5.768 9.652) 12.830 32.633 ( -5.526 3.242 -2.789) 6.987 32.633 ( 5.526 3.242 2.789) 6.987 33.222 ( -1.798 -3.142 -2.699) 4.516 33.222 ( 1.798 -3.142 2.699) 4.516 34.561 ( 1.460 2.532 -17.710) 17.950 34.561 ( -1.460 2.532 17.710) 17.950 34.974 ( -5.353 -4.105 -13.123) 14.756 34.974 ( 5.353 -4.105 13.123) 14.756 ======================= Grid point 149 (73/80) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 4.610 17.189 -17.099) 24.680 2.552 ( -4.610 17.189 17.099) 24.680 2.787 ( -5.227 12.386 -22.082) 25.853 2.787 ( 5.227 12.386 22.082) 25.853 3.394 ( -7.956 -6.926 -0.530) 10.562 3.394 ( 7.956 -6.926 0.530) 10.562 3.586 ( -6.160 -1.919 -5.587) 8.535 3.586 ( 6.160 -1.919 5.587) 8.535 3.718 ( 5.023 -3.386 -10.520) 12.139 3.718 ( -5.023 -3.386 10.520) 12.139 3.936 ( -6.506 -8.263 1.404) 10.611 3.936 ( 6.506 -8.263 -1.404) 10.611 4.234 ( 1.528 -11.896 -1.524) 12.090 4.234 ( -1.528 -11.896 1.524) 12.090 4.385 ( 1.069 -2.523 -3.313) 4.299 4.385 ( -1.069 -2.523 3.313) 4.299 4.519 ( -2.467 1.840 -3.590) 4.728 4.519 ( 2.467 1.840 3.590) 4.728 4.774 ( 3.583 9.164 -8.108) 12.750 4.774 ( -3.583 9.164 8.108) 12.750 5.031 ( -1.842 12.466 -10.527) 16.420 5.031 ( 1.842 12.466 10.527) 16.420 5.531 ( 0.357 7.193 -19.310) 20.609 5.531 ( -0.357 7.193 19.310) 20.609 5.689 ( -5.116 -5.451 -3.932) 8.447 5.689 ( 5.116 -5.451 3.932) 8.447 5.938 ( -0.224 -7.077 -8.699) 11.216 5.938 ( 0.224 -7.077 8.699) 11.216 6.152 ( 8.268 2.761 -4.782) 9.942 6.152 ( -8.268 2.761 4.782) 9.942 6.344 ( 4.174 2.078 -9.259) 10.367 6.344 ( -4.174 2.078 9.259) 10.367 6.785 ( 3.028 0.385 -3.874) 4.932 6.785 ( -3.028 0.385 3.874) 4.932 7.015 ( -2.119 3.870 -6.171) 7.586 7.015 ( 2.119 3.870 6.171) 7.586 7.190 ( -3.467 2.086 -0.086) 4.047 7.190 ( 3.467 2.086 0.086) 4.047 7.416 ( -5.122 3.833 -0.346) 6.407 7.416 ( 5.122 3.833 0.346) 6.407 7.759 ( -4.429 1.170 -1.785) 4.917 7.759 ( 4.429 1.170 1.785) 4.917 7.907 ( -5.928 -6.264 -1.204) 8.708 7.907 ( 5.928 -6.264 1.204) 8.708 8.029 ( -7.924 -4.594 -4.068) 10.022 8.029 ( 7.924 -4.594 4.068) 10.022 8.540 ( -3.744 2.724 -3.607) 5.869 8.540 ( 3.744 2.724 3.607) 5.869 8.842 ( 8.437 1.454 -6.733) 10.892 8.842 ( -8.437 1.454 6.733) 10.892 9.183 ( 7.135 -5.820 -5.405) 10.677 9.183 ( -7.135 -5.820 5.405) 10.677 9.609 ( 3.219 -1.777 -4.733) 5.994 9.609 ( -3.219 -1.777 4.733) 5.994 9.789 ( -1.539 7.297 -2.857) 7.986 9.789 ( 1.539 7.297 2.857) 7.986 10.430 ( 1.062 6.577 -1.406) 6.809 10.430 ( -1.062 6.577 1.406) 6.809 11.048 ( -1.827 -8.180 -4.662) 9.591 11.048 ( 1.827 -8.180 4.662) 9.591 11.288 ( -0.290 -1.664 -4.061) 4.398 11.288 ( 0.290 -1.664 4.061) 4.398 11.889 ( 2.381 -4.910 -7.615) 9.368 11.889 ( -2.381 -4.910 7.615) 9.368 12.434 ( 2.167 5.298 -11.487) 12.834 12.434 ( -2.167 5.298 11.487) 12.834 12.747 ( -0.678 -3.270 -2.112) 3.951 12.747 ( 0.678 -3.270 2.112) 3.951 12.893 ( -0.630 -2.250 -8.467) 8.783 12.893 ( 0.630 -2.250 8.467) 8.783 13.666 ( -1.546 -1.681 -5.821) 6.253 13.666 ( 1.546 -1.681 5.821) 6.253 13.908 ( -1.735 -3.660 -1.925) 4.485 13.908 ( 1.735 -3.660 1.925) 4.485 14.372 ( -0.385 -0.838 -3.149) 3.282 14.372 ( 0.385 -0.838 3.149) 3.282 14.825 ( 1.133 3.817 -3.564) 5.344 14.825 ( -1.133 3.817 3.564) 5.344 15.016 ( 2.778 5.352 -3.422) 6.934 15.016 ( -2.778 5.352 3.422) 6.934 15.290 ( -0.502 3.852 -1.727) 4.251 15.290 ( 0.502 3.852 1.727) 4.251 15.361 ( 2.145 2.513 -1.362) 3.574 15.361 ( -2.145 2.513 1.362) 3.574 15.783 ( -2.636 -4.241 -5.741) 7.609 15.783 ( 2.636 -4.241 5.741) 7.609 15.935 ( -8.353 -6.650 -1.362) 10.763 15.935 ( 8.353 -6.650 1.362) 10.763 16.320 ( -3.236 -0.625 -0.674) 3.364 16.320 ( 3.236 -0.625 0.674) 3.364 16.716 ( -0.597 -1.384 -2.524) 2.940 16.716 ( 0.597 -1.384 2.524) 2.940 17.105 ( 1.945 1.916 -2.566) 3.747 17.105 ( -1.945 1.916 2.566) 3.747 17.555 ( -0.285 -10.127 -6.564) 12.072 17.555 ( 0.285 -10.127 6.564) 12.072 18.244 ( 1.658 5.965 -8.284) 10.342 18.244 ( -1.658 5.965 8.284) 10.342 18.524 ( -13.890 -1.919 -4.003) 14.582 18.524 ( 13.890 -1.919 4.003) 14.582 20.708 ( 0.399 2.399 -3.804) 4.515 20.708 ( -0.399 2.399 3.804) 4.515 21.268 ( 2.237 -3.416 -5.026) 6.475 21.268 ( -2.237 -3.416 5.026) 6.475 21.836 ( -2.603 6.877 0.241) 7.357 21.836 ( 2.603 6.877 -0.241) 7.357 22.124 ( -6.514 0.067 -4.399) 7.860 22.124 ( 6.514 0.067 4.399) 7.860 22.376 ( -3.272 -3.135 -2.060) 4.977 22.376 ( 3.272 -3.135 2.060) 4.977 22.621 ( 0.748 7.852 -2.780) 8.363 22.621 ( -0.748 7.852 2.780) 8.363 22.873 ( -1.227 -4.134 -2.361) 4.916 22.873 ( 1.227 -4.134 2.361) 4.916 23.374 ( -1.741 -5.123 -1.442) 5.600 23.374 ( 1.741 -5.123 1.442) 5.600 23.698 ( -1.604 7.095 -1.769) 7.486 23.698 ( 1.604 7.095 1.769) 7.486 24.354 ( 0.366 -2.047 -0.562) 2.154 24.354 ( -0.366 -2.047 0.562) 2.154 24.495 ( -0.577 4.292 -6.638) 7.926 24.495 ( 0.577 4.292 6.638) 7.926 25.511 ( -3.806 -3.238 -4.172) 6.509 25.511 ( 3.806 -3.238 4.172) 6.509 29.211 ( 1.018 7.144 -2.891) 7.774 29.211 ( -1.018 7.144 2.891) 7.774 29.623 ( 1.555 -5.641 -3.708) 6.928 29.623 ( -1.555 -5.641 3.708) 6.928 29.698 ( -3.192 1.110 -1.650) 3.760 29.698 ( 3.192 1.110 1.650) 3.760 29.896 ( -2.154 0.336 -0.695) 2.288 29.896 ( 2.154 0.336 0.695) 2.288 30.141 ( -0.702 2.293 -1.232) 2.696 30.141 ( 0.702 2.293 1.232) 2.696 30.239 ( 0.398 0.169 -1.682) 1.737 30.239 ( -0.398 0.169 1.682) 1.737 30.537 ( -1.431 2.669 -0.561) 3.079 30.537 ( 1.431 2.669 0.561) 3.079 30.674 ( -0.089 -1.912 -0.347) 1.945 30.674 ( 0.089 -1.912 0.347) 1.945 31.132 ( -1.655 1.041 -3.675) 4.162 31.132 ( 1.655 1.041 3.675) 4.162 31.351 ( 0.144 -4.310 -8.379) 9.424 31.351 ( -0.144 -4.310 8.379) 9.424 31.851 ( -2.434 1.319 -3.143) 4.189 31.851 ( 2.434 1.319 3.143) 4.189 32.181 ( -6.266 11.712 -4.434) 14.004 32.181 ( 6.266 11.712 4.434) 14.004 32.753 ( -2.041 -17.351 -8.948) 19.629 32.753 ( 2.041 -17.351 8.948) 19.629 33.890 ( -7.434 1.023 -3.858) 8.438 33.890 ( 7.434 1.023 3.858) 8.438 34.159 ( -2.514 0.281 -1.914) 3.172 34.159 ( 2.514 0.281 1.914) 3.172 34.441 ( 7.199 0.804 -2.762) 7.753 34.441 ( -7.199 0.804 2.762) 7.753 ======================= Grid point 151 (74/80) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -0.199 19.381 -1.950) 19.480 2.720 ( 1.684 18.006 -8.272) 19.887 2.843 ( 13.182 10.387 -16.102) 23.257 2.913 ( 4.365 8.162 12.230) 15.338 3.313 ( 1.450 -7.952 2.735) 8.533 3.407 ( -6.365 -6.102 -3.558) 9.508 3.511 ( -7.273 -1.384 1.328) 7.522 3.613 ( 3.444 -8.798 -0.191) 9.450 3.698 ( 5.757 -8.051 8.130) 12.808 3.850 ( -0.899 -3.715 -0.401) 3.843 3.882 ( 2.807 -0.400 0.656) 2.911 4.036 ( 4.688 -0.853 -2.775) 5.514 4.106 ( -2.018 -2.027 1.603) 3.279 4.384 ( 4.623 -5.113 -0.862) 6.947 4.416 ( 1.833 -2.516 3.493) 4.678 4.444 ( 5.918 -2.514 -6.476) 9.126 4.541 ( 4.504 -4.066 1.571) 6.268 4.644 ( 9.015 -5.211 4.288) 11.261 4.757 ( 1.226 4.180 9.154) 10.138 4.863 ( -0.469 0.594 -1.731) 1.889 4.963 ( 1.390 20.233 -11.041) 23.092 5.069 ( 3.304 10.082 -0.164) 10.611 5.484 ( -2.332 8.530 -6.012) 10.693 5.545 ( -1.207 4.943 9.742) 10.991 5.619 ( -7.215 -2.122 -5.118) 9.097 5.657 ( -2.975 -6.738 -2.823) 7.888 5.891 ( 3.045 -4.240 4.792) 7.086 5.964 ( 1.464 -9.643 1.366) 9.849 6.116 ( 1.446 1.655 6.313) 6.685 6.258 ( -1.202 10.128 6.893) 12.310 6.310 ( 3.782 5.286 -3.637) 7.448 6.499 ( 3.967 6.035 -6.638) 9.809 6.690 ( -3.690 -3.885 -3.356) 6.322 6.849 ( -3.586 2.272 -1.846) 4.629 6.924 ( -5.898 2.613 -10.772) 12.556 6.993 ( -7.109 8.957 7.789) 13.836 7.051 ( 0.864 2.064 -5.821) 6.236 7.175 ( -6.095 -0.945 1.386) 6.321 7.282 ( -1.449 1.831 -1.231) 2.640 7.510 ( -7.658 0.185 14.557) 16.449 7.537 ( -11.331 0.178 7.422) 13.547 7.613 ( 4.737 -2.924 -9.387) 10.914 7.891 ( -3.502 -6.119 3.309) 7.788 7.941 ( -2.780 -8.489 -4.957) 10.216 8.047 ( 3.677 -5.121 2.386) 6.741 8.198 ( -4.578 -5.220 3.454) 7.755 8.402 ( -6.617 3.049 4.003) 8.313 8.520 ( -6.510 -0.012 0.672) 6.545 8.692 ( 3.356 4.620 1.855) 6.004 8.803 ( 3.070 -2.608 5.003) 6.423 9.187 ( -3.450 0.247 -3.045) 4.608 9.347 ( 2.936 -5.177 -9.091) 10.866 9.645 ( 4.270 0.897 3.436) 5.554 9.688 ( 3.147 0.938 -4.222) 5.349 9.823 ( 5.567 5.403 -4.070) 8.761 9.871 ( 4.634 6.138 -2.569) 8.109 10.351 ( -0.910 4.361 1.458) 4.687 10.538 ( 4.628 2.402 0.857) 5.284 10.982 ( 1.193 -0.902 -5.212) 5.423 11.171 ( 2.860 -7.640 -2.741) 8.606 11.263 ( 0.981 -1.177 6.158) 6.346 11.338 ( 2.825 -6.247 -1.212) 6.963 11.826 ( -2.343 -2.293 6.317) 7.117 11.935 ( 1.502 -4.052 -5.412) 6.925 12.367 ( -2.565 4.374 6.889) 8.554 12.501 ( 1.832 2.465 -2.747) 4.121 12.712 ( -1.455 -1.807 -2.690) 3.553 12.731 ( -2.315 -1.559 2.139) 3.516 12.870 ( -1.360 -2.356 -5.543) 6.174 12.911 ( 0.812 -4.030 9.272) 10.142 13.724 ( 7.083 0.035 -7.053) 9.996 13.797 ( 9.075 -3.903 -0.238) 9.881 13.933 ( 4.519 -1.246 3.190) 5.670 13.993 ( 5.480 -4.832 3.234) 7.990 14.387 ( 2.068 0.718 -4.631) 5.122 14.407 ( 2.079 -2.654 0.883) 3.485 14.732 ( -5.249 2.950 3.956) 7.204 14.839 ( -3.055 2.385 2.139) 4.427 14.926 ( -3.580 9.904 -0.004) 10.531 15.021 ( -3.055 3.322 -1.528) 4.765 15.154 ( -9.036 6.524 1.278) 11.218 15.291 ( -0.425 -0.069 -2.720) 2.754 15.315 ( 0.598 -2.423 -0.444) 2.535 15.449 ( 0.070 5.622 -0.173) 5.625 15.727 ( -2.898 -8.368 -4.475) 9.922 15.850 ( 1.879 -2.077 -3.880) 4.785 15.892 ( 6.334 0.930 2.213) 6.773 16.155 ( 10.467 -6.107 2.556) 12.385 16.239 ( -1.949 0.348 -1.264) 2.349 16.342 ( -0.323 -6.616 1.728) 6.846 16.647 ( -3.211 -0.912 -0.174) 3.342 16.744 ( -0.498 -1.532 -0.724) 1.766 16.930 ( -10.602 3.540 6.134) 12.751 17.033 ( -9.502 -4.236 5.043) 11.561 17.472 ( -3.239 -4.771 -3.561) 6.778 17.620 ( -5.857 -8.269 -0.447) 10.143 17.977 ( -7.887 3.846 0.976) 8.829 18.144 ( -8.521 -4.944 -9.680) 13.811 18.622 ( 13.315 9.184 0.525) 16.183 18.848 ( 12.733 -2.637 6.646) 14.603 20.704 ( 3.823 6.010 4.182) 8.260 20.853 ( 8.742 -0.898 1.390) 8.897 21.234 ( -0.243 -0.225 -1.071) 1.121 21.359 ( 5.365 -4.647 -8.620) 11.166 21.731 ( -6.853 8.078 -2.190) 10.818 21.875 ( 0.167 5.559 0.012) 5.562 22.032 ( -0.976 0.256 -2.419) 2.621 22.175 ( -4.017 -4.369 2.757) 6.544 22.337 ( 0.630 1.030 -2.733) 2.988 22.476 ( 6.450 -2.704 -3.012) 7.615 22.651 ( 2.699 9.364 1.547) 9.867 22.702 ( 5.584 4.716 5.166) 8.951 22.854 ( 0.687 -1.340 -0.372) 1.551 22.958 ( 4.943 -6.666 -0.721) 8.330 23.368 ( 1.676 -3.437 -1.211) 4.010 23.431 ( 2.865 -5.993 1.446) 6.798 23.663 ( -0.758 7.977 -0.989) 8.074 23.736 ( 1.417 5.305 -0.747) 5.542 24.304 ( -0.706 0.966 1.509) 1.925 24.391 ( -4.833 5.846 -1.803) 7.796 24.418 ( -4.404 0.348 -1.321) 4.611 24.510 ( 4.792 -3.145 2.727) 6.347 25.348 ( -10.645 0.351 -3.952) 11.360 25.509 ( -4.076 -6.652 3.879) 8.713 29.179 ( -1.812 7.201 2.904) 7.973 29.207 ( -1.636 7.372 -3.035) 8.138 29.552 ( -2.823 -4.185 2.545) 5.653 29.583 ( -4.562 -3.168 -1.839) 5.850 29.710 ( 2.755 -2.292 -1.962) 4.086 29.747 ( 0.723 -1.650 0.392) 1.843 29.851 ( -1.208 0.524 0.145) 1.325 29.911 ( -1.060 -1.794 0.048) 2.084 30.094 ( -1.496 3.229 0.083) 3.560 30.148 ( -1.485 1.412 -0.058) 2.050 30.188 ( -1.390 2.716 2.132) 3.723 30.302 ( 1.618 -1.735 0.395) 2.405 30.492 ( -1.735 4.838 -2.439) 5.690 30.580 ( 2.478 2.565 -0.953) 3.692 30.661 ( 0.652 -1.183 1.931) 2.357 30.733 ( 3.341 -2.946 2.576) 5.145 31.086 ( -0.254 2.767 3.535) 4.496 31.179 ( 1.608 -0.806 1.390) 2.273 31.404 ( 4.628 -0.780 1.524) 4.935 31.453 ( 6.502 -2.424 2.947) 7.539 31.774 ( -4.015 1.687 -3.545) 5.615 31.865 ( -1.322 -1.707 0.559) 2.230 32.026 ( -7.266 9.175 -3.490) 12.213 32.267 ( -0.018 7.718 1.115) 7.798 32.619 ( -7.424 -14.653 -7.021) 17.864 32.732 ( -1.766 -12.478 6.051) 13.980 33.607 ( -15.759 3.911 -2.050) 16.366 33.720 ( -17.926 -1.495 -1.739) 18.072 34.245 ( 10.920 2.450 7.629) 13.545 34.382 ( 14.332 -2.552 5.163) 15.446 34.481 ( 7.378 4.926 -1.018) 8.930 34.704 ( 12.087 -5.181 -9.717) 16.351 ======================= Grid point 152 (75/80) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 5.207 13.758 -14.430) 20.606 2.766 ( 3.105 11.096 -3.304) 11.986 2.907 ( -5.611 5.990 8.130) 11.552 3.124 ( 7.497 2.463 -5.125) 9.409 3.222 ( -7.082 -3.371 6.128) 9.954 3.346 ( 0.410 -0.570 -6.173) 6.213 3.418 ( -1.807 -5.496 -2.083) 6.148 3.646 ( -6.514 -7.981 -2.986) 10.726 3.726 ( 8.826 1.314 7.497) 11.655 3.939 ( 7.484 0.945 2.380) 7.910 4.026 ( -0.164 2.926 -1.346) 3.225 4.114 ( 14.345 -0.680 5.452) 15.361 4.169 ( 4.101 8.242 2.402) 9.514 4.381 ( -3.975 2.053 5.204) 6.863 4.464 ( 0.526 -0.556 -4.904) 4.964 4.612 ( 4.747 -7.268 -1.828) 8.871 4.626 ( 3.075 -10.049 -0.808) 10.540 4.743 ( 0.161 -2.889 -0.160) 2.898 4.764 ( -1.053 -4.019 -0.294) 4.165 4.870 ( 3.966 -12.086 2.563) 12.976 5.104 ( 8.443 19.747 -2.472) 21.618 5.200 ( 6.486 9.291 -9.108) 14.537 5.432 ( -3.819 1.999 -0.456) 4.335 5.514 ( 1.280 6.630 3.500) 7.606 5.540 ( 2.507 7.167 3.491) 8.357 5.587 ( -0.520 -0.592 -1.144) 1.389 5.966 ( -7.682 0.972 6.601) 10.175 6.033 ( 3.365 -1.642 -1.159) 3.919 6.098 ( -2.935 6.657 -0.253) 7.280 6.188 ( -0.782 2.775 0.051) 2.884 6.377 ( 4.181 8.541 2.257) 9.773 6.384 ( -6.454 2.238 2.127) 7.154 6.596 ( -10.236 -1.052 -7.022) 12.458 6.708 ( -5.643 -0.910 0.089) 5.716 6.848 ( -3.595 5.701 -9.331) 11.510 6.878 ( 1.574 -5.860 1.586) 6.272 7.006 ( -4.374 -3.682 2.325) 6.172 7.190 ( 0.271 -0.926 6.001) 6.078 7.261 ( -3.428 1.118 3.372) 4.937 7.345 ( 4.697 2.020 -3.273) 6.071 7.441 ( -1.885 4.978 2.608) 5.928 7.681 ( -8.183 -0.157 0.530) 8.202 7.781 ( -4.446 -0.551 -1.804) 4.830 7.906 ( 1.103 -14.143 1.135) 14.231 7.951 ( -3.115 -2.803 -1.996) 4.641 8.165 ( 8.860 -13.353 -2.743) 16.258 8.337 ( -4.368 -0.641 9.252) 10.252 8.428 ( -2.458 0.181 3.531) 4.306 8.713 ( -1.742 6.874 -1.339) 7.217 8.938 ( -4.610 -2.346 -4.534) 6.878 9.043 ( 0.425 -0.319 4.815) 4.844 9.315 ( -5.569 -9.314 -3.627) 11.442 9.744 ( 6.171 7.828 0.004) 9.968 9.764 ( 3.367 2.611 1.271) 4.446 9.866 ( 0.040 4.952 -3.869) 6.284 9.937 ( -0.445 9.409 -3.709) 10.124 10.427 ( 6.927 0.374 -1.907) 7.194 10.605 ( 0.822 -3.164 1.716) 3.693 11.080 ( 4.677 -1.253 -7.576) 8.991 11.205 ( 2.781 3.299 -0.149) 4.317 11.257 ( -1.014 -5.689 4.163) 7.122 11.420 ( 2.117 -8.820 2.589) 9.433 11.831 ( 3.366 1.409 0.396) 3.670 11.954 ( 0.398 -1.015 -1.339) 1.726 12.322 ( -1.494 -0.553 2.124) 2.655 12.470 ( -5.016 -2.924 2.664) 6.388 12.687 ( 0.395 2.079 5.288) 5.695 12.740 ( 3.695 -1.097 -7.205) 8.171 12.826 ( -2.855 -0.455 -5.596) 6.299 12.916 ( -1.128 -5.272 10.434) 11.744 13.926 ( 10.760 0.264 -7.737) 13.255 14.000 ( 8.935 -2.150 -6.413) 11.207 14.060 ( 5.340 -2.840 8.355) 10.314 14.145 ( 8.402 -3.031 3.160) 9.475 14.371 ( -4.181 -2.348 -3.253) 5.794 14.476 ( 2.192 -4.887 -0.160) 5.359 14.615 ( -4.030 3.268 3.125) 6.057 14.756 ( -4.032 1.466 1.407) 4.515 14.853 ( -1.905 10.671 -1.174) 10.903 14.942 ( -2.361 6.270 3.050) 7.361 15.001 ( -5.558 9.036 0.092) 10.609 15.186 ( -8.430 -0.405 -0.868) 8.484 15.327 ( 0.206 -3.482 -4.352) 5.577 15.425 ( -2.225 -0.110 1.239) 2.549 15.705 ( 1.507 -3.521 1.687) 4.185 15.841 ( -2.619 -1.583 -4.129) 5.139 16.076 ( 8.935 0.981 1.261) 9.076 16.243 ( 1.056 0.704 -4.199) 4.386 16.365 ( 10.523 -2.159 -4.912) 11.812 16.413 ( 4.926 -11.933 3.324) 13.331 16.573 ( -3.932 0.699 1.042) 4.127 16.694 ( -4.182 0.146 -1.253) 4.368 16.722 ( -6.376 2.755 8.557) 11.021 16.860 ( -2.499 -9.633 4.779) 11.040 17.277 ( -20.210 -1.121 1.777) 20.319 17.295 ( -13.577 -6.147 -3.106) 15.224 17.975 ( 4.155 -1.134 -4.275) 6.068 18.081 ( 0.059 -4.860 -2.928) 5.675 18.877 ( 9.778 7.463 -1.149) 12.354 19.028 ( 3.859 -0.357 6.286) 7.385 20.857 ( 9.417 7.855 6.269) 13.773 21.045 ( 7.708 -0.531 2.310) 8.064 21.238 ( 0.402 2.987 -3.574) 4.676 21.445 ( -0.663 -2.823 -11.318) 11.684 21.621 ( 0.443 6.491 -4.776) 8.071 21.833 ( -3.721 4.115 2.940) 6.279 22.003 ( -2.819 -4.877 0.539) 5.659 22.053 ( -6.083 -5.818 4.258) 9.433 22.393 ( 5.385 7.756 -4.082) 10.287 22.629 ( 6.330 -3.029 -6.483) 9.554 22.663 ( -1.254 10.223 -1.410) 10.396 22.819 ( 3.089 3.996 9.062) 10.375 22.898 ( 3.509 -1.697 1.654) 4.235 23.030 ( 0.710 -5.748 -1.510) 5.985 23.441 ( 4.503 -3.533 -0.330) 5.734 23.489 ( 2.417 -4.277 2.858) 5.683 23.676 ( 1.862 5.447 0.558) 5.784 23.753 ( -0.031 2.761 -3.354) 4.345 24.248 ( -5.978 4.215 -3.300) 8.024 24.275 ( -5.939 1.417 -1.763) 6.355 24.378 ( 6.290 6.578 5.390) 10.578 24.672 ( 6.658 -6.399 0.124) 9.235 25.103 ( -9.547 1.179 -4.250) 10.516 25.356 ( -9.770 -9.093 3.682) 13.846 29.141 ( -1.664 6.855 3.092) 7.702 29.154 ( -2.509 6.842 -2.861) 7.829 29.501 ( -1.931 -3.284 0.051) 3.809 29.512 ( -1.948 -4.274 0.619) 4.737 29.741 ( 0.891 -1.762 -0.412) 2.017 29.765 ( 0.526 -2.475 -1.678) 3.036 29.839 ( -0.149 -0.881 0.872) 1.248 29.873 ( -1.870 -2.236 -0.406) 2.943 30.080 ( -0.140 2.616 -0.141) 2.624 30.121 ( -0.046 1.299 -0.293) 1.333 30.165 ( -0.896 1.748 1.280) 2.345 30.287 ( -2.677 -3.637 3.073) 5.462 30.485 ( 1.493 7.996 -4.147) 9.131 30.603 ( -1.567 5.665 3.282) 6.732 30.717 ( 4.751 -2.657 -3.380) 6.407 30.804 ( 2.449 -2.713 4.037) 5.446 31.130 ( 3.665 3.983 5.896) 8.004 31.211 ( 1.114 1.721 -2.148) 2.970 31.476 ( 2.171 2.328 1.700) 3.609 31.569 ( 2.270 -1.084 5.541) 6.086 31.700 ( -2.221 2.816 -0.828) 3.680 31.816 ( -2.851 -3.725 -5.622) 7.322 31.906 ( -2.454 0.440 2.135) 3.282 32.133 ( -9.779 -5.980 -6.114) 12.992 32.582 ( 3.585 0.324 0.971) 3.728 32.728 ( 0.687 -5.174 2.046) 5.606 33.282 ( -12.954 1.375 -1.275) 13.089 33.354 ( -14.215 -1.748 -2.559) 14.549 34.488 ( 9.875 3.593 5.394) 11.812 34.615 ( 4.127 5.579 -1.453) 7.090 34.684 ( 12.171 -5.224 9.328) 16.200 34.881 ( 4.177 -6.885 -12.118) 14.550 ======================= Grid point 153 (76/80) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 9.946 8.866 -12.666) 18.383 2.689 ( -9.946 8.866 12.666) 18.383 2.918 ( 6.609 -1.656 -8.673) 11.029 2.918 ( -6.609 -1.656 8.673) 11.029 3.360 ( -4.127 -0.568 -5.111) 6.594 3.360 ( 4.127 -0.568 5.111) 6.594 3.447 ( -6.456 -1.286 -5.183) 8.378 3.447 ( 6.456 -1.286 5.183) 8.378 3.962 ( -3.926 9.310 -10.173) 14.338 3.962 ( 3.926 9.310 10.173) 14.338 4.114 ( -5.617 4.867 -4.978) 8.945 4.114 ( 5.617 4.867 4.978) 8.945 4.330 ( -0.903 -1.394 -3.579) 3.946 4.330 ( 0.903 -1.394 3.579) 3.946 4.539 ( 0.467 -6.578 -5.460) 8.561 4.539 ( -0.467 -6.578 5.460) 8.561 4.680 ( -1.374 -6.536 -8.664) 10.939 4.680 ( 1.374 -6.536 8.664) 10.939 4.855 ( 1.225 -8.683 -5.450) 10.324 4.855 ( -1.225 -8.683 5.450) 10.324 5.223 ( -2.516 12.309 -4.874) 13.476 5.223 ( 2.516 12.309 4.874) 13.476 5.481 ( -2.505 2.345 -0.653) 3.493 5.481 ( 2.505 2.345 0.653) 3.493 5.696 ( -1.362 4.627 -4.097) 6.329 5.696 ( 1.362 4.627 4.097) 6.329 5.766 ( 0.252 15.926 -1.944) 16.047 5.766 ( -0.252 15.926 1.944) 16.047 6.216 ( -0.399 -0.910 -5.372) 5.463 6.216 ( 0.399 -0.910 5.372) 5.463 6.362 ( -9.963 -4.684 -4.137) 11.760 6.362 ( 9.963 -4.684 4.137) 11.760 6.547 ( -4.172 2.487 -5.098) 7.041 6.547 ( 4.172 2.487 5.098) 7.041 6.854 ( 3.754 -4.956 -4.005) 7.395 6.854 ( -3.754 -4.956 4.005) 7.395 7.034 ( 4.841 -2.993 -5.372) 7.826 7.034 ( -4.841 -2.993 5.372) 7.826 7.401 ( -0.070 4.798 -2.941) 5.628 7.401 ( 0.070 4.798 2.941) 5.628 7.455 ( 8.571 3.066 -4.148) 10.003 7.455 ( -8.571 3.066 4.148) 10.003 7.767 ( 0.567 -2.614 -7.360) 7.831 7.767 ( -0.567 -2.614 7.360) 7.831 8.180 ( 6.164 -6.223 -10.302) 13.522 8.180 ( -6.164 -6.223 10.302) 13.522 8.363 ( 4.622 -11.007 -8.463) 14.634 8.363 ( -4.622 -11.007 8.463) 14.634 8.717 ( -1.562 9.526 -3.889) 10.407 8.717 ( 1.562 9.526 3.889) 10.407 9.167 ( -6.615 -9.855 -1.496) 11.963 9.167 ( 6.615 -9.855 1.496) 11.963 9.816 ( -0.226 5.214 -3.172) 6.108 9.816 ( 0.226 5.214 3.172) 6.108 9.895 ( 0.155 10.522 -3.248) 11.013 9.895 ( -0.155 10.522 3.248) 11.013 10.563 ( 0.769 -2.450 -5.106) 5.716 10.563 ( -0.769 -2.450 5.106) 5.716 11.152 ( 3.142 -2.899 -7.369) 8.520 11.152 ( -3.142 -2.899 7.369) 8.520 11.372 ( 5.312 -3.123 -8.502) 10.501 11.372 ( -5.312 -3.123 8.502) 10.501 11.928 ( 2.017 1.878 -6.023) 6.624 11.928 ( -2.017 1.878 6.023) 6.624 12.346 ( 3.558 -4.815 -2.629) 6.539 12.346 ( -3.559 -4.815 2.629) 6.539 12.745 ( -3.026 1.912 -8.715) 9.421 12.745 ( 3.026 1.912 8.715) 9.421 12.849 ( 4.744 -3.172 -9.622) 11.187 12.849 ( -4.744 -3.172 9.622) 11.187 14.107 ( 0.849 0.137 -7.718) 7.765 14.107 ( -0.849 0.137 7.718) 7.765 14.161 ( 4.809 -1.401 -6.486) 8.195 14.161 ( -4.809 -1.401 6.486) 8.195 14.393 ( -7.053 -9.198 1.026) 11.636 14.393 ( 7.053 -9.198 -1.026) 11.636 14.645 ( -4.319 6.583 0.592) 7.895 14.645 ( 4.319 6.583 -0.592) 7.895 14.889 ( 0.162 9.073 -3.537) 9.739 14.889 ( -0.162 9.073 3.537) 9.739 15.003 ( -6.728 3.808 -1.939) 7.970 15.003 ( 6.728 3.808 1.939) 7.970 15.356 ( 1.394 -4.569 -3.339) 5.828 15.356 ( -1.394 -4.569 3.339) 5.828 15.771 ( -3.162 -0.778 -3.384) 4.696 15.771 ( 3.162 -0.778 3.384) 4.696 16.232 ( -3.542 0.029 -3.863) 5.241 16.232 ( 3.542 0.029 3.863) 5.241 16.434 ( -3.034 -5.267 -4.270) 7.428 16.434 ( 3.034 -5.267 4.270) 7.428 16.609 ( -1.937 0.548 -2.861) 3.498 16.609 ( 1.937 0.548 2.861) 3.498 16.826 ( -15.045 -0.346 -1.989) 15.179 16.826 ( 15.045 -0.346 1.989) 15.179 17.009 ( -9.710 -8.725 -8.907) 15.804 17.009 ( 9.710 -8.725 8.907) 15.804 18.059 ( 2.747 -2.794 -2.114) 4.452 18.059 ( -2.747 -2.794 2.114) 4.452 19.025 ( 3.356 3.460 -3.977) 6.249 19.025 ( -3.356 3.460 3.977) 6.249 21.052 ( -6.421 6.449 -7.937) 12.075 21.052 ( 6.421 6.449 7.937) 12.075 21.325 ( -7.234 1.028 -7.682) 10.602 21.325 ( 7.234 1.028 7.682) 10.602 21.730 ( 6.040 3.536 -5.967) 9.197 21.730 ( -6.040 3.536 5.967) 9.197 21.964 ( 0.436 -7.838 -3.922) 8.776 21.964 ( -0.436 -7.838 3.922) 8.776 22.541 ( 1.210 10.255 -3.602) 10.937 22.541 ( -1.210 10.255 3.602) 10.937 22.785 ( 5.450 -0.195 -9.742) 11.165 22.785 ( -5.450 -0.195 9.742) 11.165 22.991 ( -3.159 -1.899 -2.938) 4.713 22.991 ( 3.159 -1.899 2.938) 4.713 23.510 ( 0.484 -3.512 -3.540) 5.010 23.510 ( -0.484 -3.512 3.540) 5.010 23.727 ( -2.269 2.195 -2.731) 4.175 23.727 ( 2.269 2.195 2.731) 4.175 24.185 ( 0.417 2.204 -3.385) 4.061 24.185 ( -0.417 2.204 3.385) 4.061 24.596 ( -9.717 5.528 -4.645) 12.106 24.596 ( 9.717 5.528 4.645) 12.106 25.128 ( 0.507 -8.803 -4.244) 9.786 25.128 ( -0.507 -8.803 4.244) 9.786 29.122 ( -0.209 6.368 -2.985) 7.035 29.122 ( 0.209 6.368 2.985) 7.035 29.486 ( 0.286 -3.756 -2.061) 4.294 29.486 ( -0.286 -3.756 2.061) 4.294 29.761 ( -0.737 -1.701 -0.372) 1.891 29.761 ( 0.737 -1.701 0.372) 1.891 29.843 ( -0.363 -1.642 -1.894) 2.533 29.843 ( 0.363 -1.642 1.894) 2.533 30.096 ( 0.040 2.570 -1.759) 3.114 30.096 ( -0.040 2.570 1.759) 3.114 30.209 ( 4.033 -2.715 -3.264) 5.856 30.209 ( -4.033 -2.715 3.264) 5.856 30.543 ( 3.371 7.440 -3.749) 8.987 30.543 ( -3.371 7.440 3.749) 8.987 30.805 ( 1.875 -2.358 -4.915) 5.765 30.805 ( -1.875 -2.358 4.915) 5.765 31.203 ( -2.122 4.741 -5.618) 7.652 31.203 ( 2.122 4.741 5.618) 7.652 31.533 ( -0.976 -0.031 -4.320) 4.429 31.533 ( 0.976 -0.031 4.320) 4.429 31.723 ( -4.004 1.323 -8.411) 9.409 31.723 ( 4.004 1.323 8.411) 9.409 31.959 ( -5.279 -7.423 -8.216) 12.266 31.959 ( 5.279 -7.423 8.216) 12.266 32.693 ( -4.567 2.559 -2.253) 5.699 32.693 ( 4.567 2.559 2.253) 5.699 33.157 ( -2.073 -3.083 -1.768) 4.115 33.157 ( 2.073 -3.083 1.768) 4.115 34.630 ( -0.545 4.603 -15.751) 16.418 34.630 ( 0.545 4.603 15.751) 16.418 34.872 ( -4.246 -6.225 -13.128) 15.137 34.872 ( 4.246 -6.225 13.128) 15.137 ======================= Grid point 157 (77/80) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -0.000 -0.000 0.000) 0.000 2.783 ( -0.000 0.000 0.000) 0.000 2.950 ( -0.000 -0.000 0.000) 0.000 2.950 ( -0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.265 ( -0.000 0.000 0.000) 0.000 3.596 ( 0.000 -0.000 0.000) 0.000 3.596 ( -0.000 0.000 0.000) 0.000 3.606 ( 0.000 -0.000 0.000) 0.000 3.606 ( -0.000 0.000 0.000) 0.000 3.867 ( 0.000 -0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 4.082 ( -0.000 -0.000 0.000) 0.000 4.082 ( -0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.536 ( -0.000 0.000 -0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.851 ( -0.000 0.000 0.000) 0.000 5.299 ( 0.000 0.000 0.000) 0.000 5.299 ( -0.000 0.000 0.000) 0.000 5.562 ( -0.000 -0.000 -0.000) 0.000 5.562 ( -0.000 0.000 0.000) 0.000 5.690 ( -0.000 -0.000 -0.000) 0.000 5.690 ( -0.000 0.000 -0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 6.168 ( -0.000 0.000 0.000) 0.000 6.168 ( -0.000 0.000 0.000) 0.000 6.324 ( -0.000 0.000 0.000) 0.000 6.324 ( -0.000 0.000 0.000) 0.000 6.912 ( -0.000 0.000 -0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.941 ( -0.000 -0.000 -0.000) 0.000 6.941 ( 0.000 -0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.512 ( 0.000 0.000 0.000) 0.000 7.512 ( -0.000 0.000 0.000) 0.000 7.775 ( 0.000 -0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.816 ( -0.000 0.000 0.000) 0.000 7.816 ( -0.000 0.000 0.000) 0.000 7.972 ( -0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 8.569 ( -0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.868 ( -0.000 0.000 0.000) 0.000 8.868 ( -0.000 -0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.586 ( -0.000 0.000 0.000) 0.000 9.586 ( -0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 9.862 ( -0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.917 ( -0.000 -0.000 0.000) 0.000 10.917 ( -0.000 0.000 0.000) 0.000 11.276 ( 0.000 0.000 0.000) 0.000 11.276 ( -0.000 0.000 0.000) 0.000 11.832 ( 0.000 0.000 0.000) 0.000 11.832 ( 0.000 0.000 0.000) 0.000 12.512 ( -0.000 0.000 0.000) 0.000 12.512 ( -0.000 0.000 0.000) 0.000 12.693 ( 0.000 -0.000 -0.000) 0.000 12.693 ( -0.000 0.000 0.000) 0.000 12.871 ( -0.000 0.000 0.000) 0.000 12.871 ( 0.000 0.000 0.000) 0.000 13.644 ( -0.000 0.000 0.000) 0.000 13.644 ( 0.000 0.000 0.000) 0.000 13.878 ( -0.000 0.000 -0.000) 0.000 13.878 ( -0.000 0.000 0.000) 0.000 14.362 ( 0.000 0.000 0.000) 0.000 14.362 ( 0.000 0.000 0.000) 0.000 14.870 ( -0.000 0.000 0.000) 0.000 14.870 ( -0.000 0.000 0.000) 0.000 15.067 ( 0.000 0.000 0.000) 0.000 15.067 ( -0.000 0.000 0.000) 0.000 15.297 ( 0.000 0.000 0.000) 0.000 15.297 ( -0.000 0.000 0.000) 0.000 15.474 ( 0.000 0.000 0.000) 0.000 15.474 ( -0.000 0.000 0.000) 0.000 15.656 ( -0.000 0.000 0.000) 0.000 15.656 ( 0.000 0.000 0.000) 0.000 15.886 ( 0.000 0.000 0.000) 0.000 15.886 ( -0.000 0.000 0.000) 0.000 16.320 ( 0.000 0.000 -0.000) 0.000 16.320 ( 0.000 0.000 0.000) 0.000 16.709 ( -0.000 0.000 0.000) 0.000 16.709 ( -0.000 0.000 0.000) 0.000 17.127 ( -0.000 0.000 0.000) 0.000 17.127 ( 0.000 0.000 0.000) 0.000 17.440 ( 0.000 0.000 0.000) 0.000 17.440 ( 0.000 0.000 0.000) 0.000 18.309 ( -0.000 0.000 0.000) 0.000 18.309 ( -0.000 0.000 0.000) 0.000 18.502 ( -0.000 0.000 0.000) 0.000 18.502 ( 0.000 0.000 0.000) 0.000 20.728 ( 0.000 0.000 0.000) 0.000 20.728 ( -0.000 0.000 0.000) 0.000 21.234 ( -0.000 0.000 0.000) 0.000 21.234 ( 0.000 0.000 0.000) 0.000 21.942 ( -0.000 0.000 0.000) 0.000 21.942 ( -0.000 0.000 0.000) 0.000 22.099 ( -0.000 -0.000 0.000) 0.000 22.099 ( 0.000 0.000 0.000) 0.000 22.328 ( 0.000 0.000 0.000) 0.000 22.328 ( 0.000 0.000 0.000) 0.000 22.714 ( -0.000 0.000 0.000) 0.000 22.714 ( 0.000 0.000 0.000) 0.000 22.841 ( -0.000 0.000 0.000) 0.000 22.841 ( -0.000 0.000 0.000) 0.000 23.310 ( 0.000 0.000 0.000) 0.000 23.310 ( -0.000 0.000 0.000) 0.000 23.776 ( -0.000 0.000 0.000) 0.000 23.776 ( -0.000 0.000 0.000) 0.000 24.324 ( -0.000 0.000 0.000) 0.000 24.324 ( -0.000 0.000 0.000) 0.000 24.544 ( -0.000 0.000 0.000) 0.000 24.544 ( -0.000 0.000 0.000) 0.000 25.476 ( -0.000 0.000 0.000) 0.000 25.476 ( 0.000 0.000 0.000) 0.000 29.304 ( 0.000 0.000 0.000) 0.000 29.304 ( 0.000 0.000 0.000) 0.000 29.537 ( 0.000 0.000 0.000) 0.000 29.537 ( 0.000 0.000 0.000) 0.000 29.717 ( -0.000 0.000 0.000) 0.000 29.717 ( -0.000 0.000 0.000) 0.000 29.899 ( 0.000 0.000 0.000) 0.000 29.899 ( 0.000 0.000 0.000) 0.000 30.167 ( -0.000 0.000 0.000) 0.000 30.167 ( 0.000 0.000 0.000) 0.000 30.240 ( 0.000 0.000 0.000) 0.000 30.240 ( 0.000 0.000 0.000) 0.000 30.576 ( -0.000 0.000 0.000) 0.000 30.576 ( -0.000 0.000 0.000) 0.000 30.643 ( -0.000 -0.000 0.000) 0.000 30.643 ( 0.000 0.000 0.000) 0.000 31.142 ( 0.000 0.000 0.000) 0.000 31.142 ( -0.000 0.000 0.000) 0.000 31.307 ( 0.000 0.000 0.000) 0.000 31.307 ( -0.000 0.000 0.000) 0.000 31.866 ( 0.000 0.000 0.000) 0.000 31.866 ( 0.000 0.000 0.000) 0.000 32.426 ( 0.000 -0.000 -0.000) 0.000 32.426 ( 0.000 -0.000 0.000) 0.000 32.449 ( -0.000 0.000 -0.000) 0.000 32.449 ( 0.000 0.000 0.000) 0.000 33.899 ( -0.000 0.000 0.000) 0.000 33.899 ( -0.000 0.000 0.000) 0.000 34.161 ( -0.000 0.000 0.000) 0.000 34.161 ( 0.000 0.000 0.000) 0.000 34.449 ( -0.000 0.000 0.000) 0.000 34.449 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 161 (78/80) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -2.492 -11.356 -8.454) 14.375 2.775 ( -2.492 11.356 -8.454) 14.375 3.078 ( 12.456 -6.403 -0.559) 14.017 3.078 ( 12.456 6.403 -0.559) 14.017 3.235 ( -1.569 -6.422 0.078) 6.612 3.235 ( -1.569 6.422 0.078) 6.612 3.466 ( -9.185 -1.763 2.759) 9.751 3.466 ( -9.185 1.763 2.759) 9.751 3.700 ( 5.886 -8.209 -1.480) 10.209 3.700 ( 5.886 8.209 -1.480) 10.209 3.934 ( 5.514 -4.449 4.210) 8.241 3.934 ( 5.514 4.449 4.210) 8.241 4.199 ( 8.684 -8.731 0.041) 12.315 4.199 ( 8.684 8.731 0.041) 12.315 4.409 ( 4.212 -0.594 -3.635) 5.595 4.409 ( 4.212 0.594 -3.635) 5.595 4.552 ( 1.794 -2.947 4.124) 5.377 4.552 ( 1.794 2.947 4.124) 5.377 4.838 ( -2.928 -2.629 0.182) 3.939 4.838 ( -2.928 2.629 0.182) 3.939 5.255 ( -1.202 -1.784 -0.940) 2.348 5.255 ( -1.202 1.784 -0.940) 2.348 5.533 ( -1.967 -3.254 -2.594) 4.603 5.533 ( -1.967 3.254 -2.594) 4.603 5.647 ( -2.698 -0.850 4.630) 5.426 5.647 ( -2.698 0.850 4.630) 5.426 5.796 ( 2.846 -4.311 1.365) 5.343 5.796 ( 2.846 4.311 1.365) 5.343 6.274 ( 6.334 -13.151 -1.689) 14.694 6.274 ( 6.334 13.151 -1.689) 14.694 6.403 ( 5.780 -2.143 -1.122) 6.266 6.403 ( 5.780 2.143 -1.122) 6.266 6.808 ( -9.631 -8.235 -4.960) 13.608 6.808 ( -9.631 8.235 -4.960) 13.608 6.970 ( -1.335 -7.001 2.577) 7.579 6.970 ( -1.335 7.001 2.577) 7.579 7.144 ( -4.240 -3.232 -3.871) 6.588 7.144 ( -4.240 3.232 -3.871) 6.588 7.406 ( -5.860 -7.878 1.007) 9.870 7.406 ( -5.860 7.878 1.007) 9.870 7.600 ( -6.907 -3.682 3.372) 8.523 7.600 ( -6.907 3.682 3.372) 8.523 7.806 ( -0.485 -0.340 3.253) 3.306 7.806 ( -0.485 0.340 3.253) 3.306 8.073 ( -3.493 -6.114 2.694) 7.539 8.073 ( -3.493 6.114 2.694) 7.539 8.475 ( -6.497 -4.094 1.799) 7.887 8.475 ( -6.497 4.094 1.799) 7.887 8.758 ( 2.635 -2.505 3.153) 4.812 8.758 ( 2.635 2.505 3.153) 4.812 9.240 ( 0.587 -5.055 -5.322) 7.363 9.240 ( 0.587 5.055 -5.322) 7.363 9.669 ( 6.013 -2.078 -1.936) 6.650 9.669 ( 6.013 2.078 -1.936) 6.650 9.911 ( 4.943 -2.622 -4.342) 7.082 9.911 ( 4.943 2.622 -4.342) 7.082 10.505 ( -2.515 -7.748 2.307) 8.467 10.505 ( -2.515 7.748 2.307) 8.467 11.013 ( 7.435 -5.583 -2.740) 9.693 11.013 ( 7.435 5.583 -2.740) 9.693 11.260 ( -1.167 -1.725 1.866) 2.797 11.260 ( -1.167 1.725 1.866) 2.797 11.846 ( 1.423 -3.904 -1.059) 4.288 11.846 ( 1.423 3.904 -1.059) 4.288 12.480 ( -3.054 -5.389 4.933) 7.919 12.480 ( -3.054 5.389 4.933) 7.919 12.699 ( 0.333 -1.334 -3.201) 3.484 12.699 ( 0.333 1.334 -3.201) 3.484 12.858 ( -0.833 -1.319 2.652) 3.076 12.858 ( -0.833 1.319 2.652) 3.076 13.737 ( 8.112 -1.960 -3.387) 9.007 13.737 ( 8.112 1.960 -3.387) 9.007 13.938 ( 5.285 -1.492 3.130) 6.321 13.938 ( 5.285 1.492 3.130) 6.321 14.384 ( 1.627 -0.130 -1.755) 2.397 14.384 ( 1.627 0.130 -1.755) 2.397 14.814 ( -5.316 -4.276 3.558) 7.694 14.814 ( -5.316 4.276 3.558) 7.694 15.045 ( -1.564 -1.580 -2.661) 3.467 15.045 ( -1.564 1.580 -2.661) 3.467 15.256 ( -3.531 -3.187 -1.350) 4.944 15.256 ( -3.531 3.187 -1.350) 4.944 15.402 ( -4.329 -10.899 0.878) 11.761 15.402 ( -4.329 10.899 0.878) 11.761 15.703 ( 2.517 -8.194 -1.389) 8.684 15.703 ( 2.517 8.194 -1.389) 8.684 16.008 ( 9.800 -7.536 0.915) 12.397 16.008 ( 9.800 7.536 0.915) 12.397 16.272 ( -3.059 -2.099 -0.390) 3.730 16.272 ( -3.059 2.099 -0.390) 3.730 16.682 ( -2.204 -4.186 -0.058) 4.731 16.682 ( -2.204 4.186 -0.058) 4.731 16.981 ( -10.630 -1.710 5.811) 12.235 16.981 ( -10.630 1.710 5.811) 12.235 17.474 ( -1.948 -5.068 -3.421) 6.417 17.474 ( -1.948 5.068 -3.421) 6.417 18.057 ( -10.198 -4.333 -3.162) 11.523 18.057 ( -10.198 4.333 -3.162) 11.523 18.768 ( 13.443 -5.975 3.262) 15.069 18.768 ( 13.443 5.975 3.262) 15.069 20.799 ( 6.382 -4.102 4.035) 8.592 20.799 ( 6.382 4.102 4.035) 8.592 21.273 ( 3.381 -3.807 -6.922) 8.593 21.273 ( 3.381 3.807 -6.922) 8.593 21.903 ( -4.621 -7.165 -1.180) 8.607 21.903 ( -4.621 7.165 -1.180) 8.607 22.046 ( -2.628 -5.675 1.201) 6.368 22.046 ( -2.628 5.675 1.201) 6.368 22.399 ( 5.115 -4.623 -2.517) 7.340 22.399 ( 5.115 4.623 -2.517) 7.340 22.775 ( 4.470 -1.494 -1.101) 4.840 22.775 ( 4.470 1.494 -1.101) 4.840 22.860 ( 2.085 -3.184 2.829) 4.742 22.860 ( 2.085 3.184 2.829) 4.742 23.339 ( 2.546 -2.088 0.627) 3.352 23.339 ( 2.546 2.088 0.627) 3.352 23.770 ( -0.464 -2.375 -1.491) 2.842 23.770 ( -0.464 2.375 -1.491) 2.842 24.350 ( 2.008 -4.145 1.079) 4.730 24.350 ( 2.008 4.145 1.079) 4.730 24.481 ( -4.489 -2.352 0.237) 5.074 24.481 ( -4.489 2.352 0.237) 5.074 25.395 ( -7.298 -4.663 0.004) 8.660 25.395 ( -7.298 4.663 0.004) 8.660 29.289 ( -1.635 -1.698 0.959) 2.545 29.289 ( -1.635 1.698 0.959) 2.545 29.499 ( -2.960 -1.960 -1.311) 3.784 29.499 ( -2.960 1.960 -1.311) 3.784 29.718 ( 0.422 -1.559 -0.697) 1.760 29.718 ( 0.422 1.559 -0.697) 1.760 29.875 ( -1.862 -1.812 0.534) 2.653 29.875 ( -1.862 1.812 0.534) 2.653 30.142 ( -1.757 -1.630 0.788) 2.523 30.142 ( -1.757 1.630 0.788) 2.523 30.252 ( 0.061 -3.331 1.235) 3.553 30.252 ( 0.061 3.331 1.235) 3.553 30.583 ( 1.193 -3.402 -2.970) 4.671 30.583 ( 1.193 3.402 -2.970) 4.671 30.669 ( 2.203 -2.973 2.518) 4.476 30.669 ( 2.203 2.973 2.518) 4.476 31.140 ( 1.031 -2.780 3.011) 4.226 31.140 ( 1.031 2.780 3.011) 4.226 31.412 ( 7.313 -1.581 2.769) 7.978 31.412 ( 7.313 1.581 2.769) 7.978 31.820 ( -3.692 -2.751 -3.535) 5.805 31.820 ( -3.692 2.751 -3.535) 5.805 32.245 ( -11.921 -12.072 -5.230) 17.754 32.245 ( -11.921 12.072 -5.230) 17.754 32.526 ( 4.015 -7.930 4.365) 9.903 32.526 ( 4.015 7.930 4.365) 9.903 33.675 ( -16.609 -3.089 -1.784) 16.988 33.675 ( -16.609 3.089 -1.784) 16.988 34.309 ( 12.032 -4.047 7.135) 14.562 34.309 ( 12.032 4.047 7.135) 14.562 34.595 ( 9.229 -6.156 -6.014) 12.619 34.595 ( 9.229 6.156 -6.014) 12.619 ======================= Grid point 163 (79/80) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 0.154 -8.903 -12.261) 15.153 2.729 ( 0.154 8.903 -12.261) 15.153 3.089 ( -11.450 -6.514 7.021) 14.928 3.089 ( -11.450 6.514 7.021) 14.928 3.310 ( 2.086 -6.786 -2.638) 7.574 3.310 ( 2.086 6.786 -2.638) 7.574 3.418 ( 7.128 -10.778 -1.560) 13.016 3.418 ( 7.128 10.778 -1.560) 13.016 3.839 ( 9.234 -8.164 5.468) 13.484 3.839 ( 9.234 8.164 5.468) 13.484 4.094 ( 9.281 -2.560 -1.308) 9.716 4.094 ( 9.281 2.560 -1.308) 9.716 4.347 ( 2.675 -10.101 4.567) 11.404 4.347 ( 2.675 10.101 4.567) 11.404 4.484 ( -0.928 -6.521 2.304) 6.978 4.484 ( -0.928 6.521 2.304) 6.978 4.572 ( 0.571 -5.733 -1.693) 6.005 4.572 ( 0.571 5.733 -1.693) 6.005 4.762 ( -1.216 -2.013 -3.700) 4.384 4.762 ( -1.216 2.013 -3.700) 4.384 5.317 ( 5.451 -4.153 -5.922) 9.056 5.317 ( 5.451 4.153 -5.922) 9.056 5.487 ( -2.653 -5.414 5.504) 8.163 5.487 ( -2.653 5.414 5.504) 8.163 5.640 ( 4.389 -5.486 -0.682) 7.058 5.640 ( 4.389 5.486 -0.682) 7.058 5.937 ( 8.314 -3.541 2.355) 9.339 5.937 ( 8.314 3.541 2.355) 9.339 6.265 ( -7.789 -6.261 -5.795) 11.552 6.265 ( -7.789 6.261 -5.795) 11.552 6.444 ( -7.809 -4.676 4.829) 10.303 6.444 ( -7.809 4.676 4.829) 10.303 6.637 ( -1.600 -5.904 -0.110) 6.118 6.637 ( -1.600 5.904 -0.110) 6.118 6.788 ( -5.587 -6.153 0.615) 8.334 6.788 ( -5.587 6.153 0.615) 8.334 7.119 ( -6.704 -7.136 4.257) 10.677 7.119 ( -6.704 7.136 4.257) 10.677 7.344 ( 5.158 -4.315 -6.329) 9.235 7.344 ( 5.158 4.315 -6.329) 9.235 7.584 ( 1.195 -12.497 0.660) 12.572 7.584 ( 1.195 12.497 0.660) 12.572 7.744 ( -7.050 -5.605 1.110) 9.074 7.744 ( -7.050 5.605 1.110) 9.074 7.965 ( 2.849 -5.388 -0.938) 6.166 7.965 ( 2.849 5.388 -0.938) 6.166 8.377 ( -5.266 -4.220 7.354) 9.981 8.377 ( -5.266 4.220 7.354) 9.981 8.844 ( 2.093 -6.404 -2.723) 7.267 8.844 ( 2.093 6.404 -2.723) 7.267 9.136 ( -7.716 -8.356 0.473) 11.383 9.136 ( -7.716 8.356 0.473) 11.383 9.795 ( 5.549 -1.377 -0.952) 5.796 9.795 ( 5.549 1.377 -0.952) 5.796 10.006 ( 3.125 -4.877 -5.937) 8.295 10.006 ( 3.125 4.877 -5.937) 8.295 10.495 ( 1.236 -7.061 1.141) 7.259 10.495 ( 1.236 7.061 1.141) 7.259 11.114 ( -0.031 -5.769 1.469) 5.953 11.114 ( -0.031 5.769 1.469) 5.953 11.290 ( 4.814 -5.610 -0.903) 7.447 11.290 ( 4.814 5.610 -0.903) 7.447 11.896 ( 3.402 -4.367 -2.239) 5.971 11.896 ( 3.402 4.367 -2.239) 5.971 12.382 ( -5.960 -5.485 4.345) 9.192 12.382 ( -5.960 5.485 4.345) 9.192 12.719 ( 2.167 -1.279 -1.401) 2.880 12.719 ( 2.167 1.279 -1.401) 2.880 12.842 ( -1.085 -2.476 2.637) 3.776 12.842 ( -1.085 2.476 2.637) 3.776 13.949 ( 10.539 -2.158 -4.613) 11.705 13.949 ( 10.539 2.158 -4.613) 11.705 14.078 ( 6.863 -3.353 3.060) 8.228 14.078 ( 6.863 3.353 3.060) 8.228 14.377 ( -4.023 -3.722 -0.565) 5.510 14.377 ( -4.023 3.722 -0.565) 5.510 14.716 ( -1.545 -4.831 1.255) 5.225 14.716 ( -1.545 4.831 1.255) 5.225 15.004 ( -1.988 -2.442 0.552) 3.197 15.004 ( -1.988 2.442 0.552) 3.197 15.157 ( -5.434 -4.735 -1.828) 7.436 15.157 ( -5.434 4.735 -1.828) 7.436 15.315 ( -3.581 -6.715 -0.008) 7.611 15.315 ( -3.581 6.715 -0.008) 7.611 15.748 ( 1.356 -6.497 -0.247) 6.642 15.748 ( 1.356 6.497 -0.247) 6.642 16.163 ( 3.517 -7.642 1.915) 8.627 16.163 ( 3.517 7.642 1.915) 8.627 16.319 ( 7.312 -1.574 -4.099) 8.529 16.319 ( 7.312 1.574 -4.099) 8.529 16.639 ( -0.900 -5.570 0.680) 5.683 16.639 ( -0.900 5.570 0.680) 5.683 16.763 ( -7.372 -1.444 6.025) 9.630 16.763 ( -7.372 1.444 6.025) 9.630 17.249 ( -16.509 -0.929 -2.150) 16.674 17.249 ( -16.509 0.929 -2.150) 16.674 17.996 ( 1.890 -3.311 -2.763) 4.709 17.996 ( 1.890 3.311 -2.763) 4.709 18.987 ( 6.729 -4.026 2.639) 8.274 18.987 ( 6.729 4.026 2.639) 8.274 20.980 ( 9.438 -5.194 6.252) 12.455 20.980 ( 9.438 5.194 6.252) 12.455 21.342 ( 1.827 -6.675 -10.770) 12.802 21.342 ( 1.827 6.675 -10.770) 12.802 21.796 ( -3.142 -10.032 -2.755) 10.867 21.796 ( -3.142 10.032 -2.755) 10.867 21.962 ( -5.985 -4.452 5.614) 9.336 21.962 ( -5.985 4.452 5.614) 9.336 22.536 ( 7.627 -6.520 -4.975) 11.199 22.536 ( 7.627 6.520 -4.975) 11.199 22.830 ( -0.760 -5.690 0.702) 5.784 22.830 ( -0.760 5.690 0.702) 5.784 22.929 ( 3.735 -5.083 2.382) 6.742 22.929 ( 3.735 5.083 2.382) 6.742 23.407 ( 3.346 -1.965 1.238) 4.072 23.407 ( 3.346 1.965 1.238) 4.072 23.760 ( -0.284 -2.377 -1.752) 2.966 23.760 ( -0.284 2.377 -1.752) 2.966 24.291 ( -6.151 -0.537 -1.678) 6.398 24.291 ( -6.151 0.537 -1.678) 6.398 24.526 ( 8.152 -8.377 2.713) 12.000 24.526 ( 8.152 8.377 2.713) 12.000 25.189 ( -11.015 -7.497 -0.236) 13.326 25.189 ( -11.015 7.497 -0.236) 13.326 29.237 ( -2.666 -0.735 0.754) 2.866 29.237 ( -2.666 0.735 0.754) 2.866 29.446 ( -1.571 -0.404 -0.428) 1.678 29.446 ( -1.571 0.404 -0.428) 1.678 29.733 ( 0.813 -0.901 -1.612) 2.017 29.733 ( 0.813 0.901 -1.612) 2.017 29.840 ( -1.176 -1.026 0.677) 1.701 29.840 ( -1.176 1.026 0.677) 1.701 30.116 ( -0.170 -1.204 -0.353) 1.266 30.116 ( -0.170 1.204 -0.353) 1.266 30.221 ( -2.694 -3.409 2.906) 5.227 30.221 ( -2.694 3.409 2.906) 5.227 30.622 ( 1.751 -5.514 -3.442) 6.732 30.622 ( 1.751 5.514 -3.442) 6.732 30.727 ( 2.745 -4.945 2.545) 6.202 30.727 ( 2.745 4.945 2.545) 6.202 31.198 ( 3.888 -2.714 3.380) 5.823 31.198 ( 3.888 2.714 3.380) 5.823 31.529 ( 1.887 -3.154 4.614) 5.899 31.529 ( 1.887 3.154 4.614) 5.899 31.755 ( -0.819 -2.510 -4.577) 5.283 31.755 ( -0.819 2.510 -4.577) 5.283 31.987 ( -10.586 -7.614 -4.229) 13.708 31.987 ( -10.586 7.614 -4.229) 13.708 32.632 ( 5.623 -4.352 2.784) 7.636 32.632 ( 5.623 4.352 2.784) 7.636 33.317 ( -14.969 -2.036 -1.943) 15.231 33.317 ( -14.969 2.036 -1.943) 15.231 34.573 ( 10.689 -5.266 8.966) 14.912 34.573 ( 10.689 5.266 8.966) 14.912 34.746 ( 4.270 -7.096 -8.341) 11.754 34.746 ( 4.270 7.096 -8.341) 11.754 ======================= Grid point 165 (80/80) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 0.000 0.000 -0.000) 0.000 2.788 ( -0.000 -0.000 0.000) 0.000 2.884 ( 0.000 0.000 -0.000) 0.000 2.884 ( -0.000 0.000 0.000) 0.000 3.360 ( -0.000 0.000 -0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.449 ( -0.000 0.000 0.000) 0.000 3.449 ( -0.000 0.000 0.000) 0.000 4.117 ( -0.001 0.001 -0.001) 0.002 4.117 ( 0.000 0.000 -0.000) 0.000 4.124 ( -0.000 -0.000 0.000) 0.000 4.124 ( 0.001 -0.001 0.001) 0.002 4.322 ( -0.000 0.000 -0.000) 0.000 4.322 ( -0.000 0.000 0.000) 0.000 4.448 ( -0.000 -0.000 0.000) 0.000 4.448 ( -0.000 0.000 -0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.602 ( -0.000 0.000 0.000) 0.000 4.752 ( -0.000 -0.000 0.000) 0.000 4.752 ( -0.000 0.000 0.000) 0.000 5.374 ( 0.000 -0.000 -0.000) 0.000 5.374 ( -0.000 0.000 0.000) 0.000 5.476 ( -0.000 0.000 0.000) 0.000 5.476 ( -0.000 0.000 0.000) 0.000 5.765 ( -0.000 0.000 0.000) 0.000 5.765 ( -0.000 0.000 0.000) 0.000 5.961 ( 0.000 -0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 -0.000 -0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.250 ( -0.000 0.000 0.000) 0.000 6.250 ( -0.000 0.000 0.000) 0.000 6.611 ( -0.000 -0.000 0.000) 0.000 6.611 ( -0.000 0.000 0.000) 0.000 6.780 ( -0.000 0.000 0.000) 0.000 6.780 ( -0.000 0.000 0.000) 0.000 7.019 ( -0.000 0.000 0.000) 0.000 7.019 ( -0.000 0.000 0.000) 0.000 7.446 ( -0.000 0.000 0.000) 0.000 7.446 ( -0.000 0.000 0.000) 0.000 7.561 ( -0.000 -0.000 -0.000) 0.000 7.561 ( -0.000 0.000 -0.000) 0.000 7.645 ( -0.000 -0.000 0.000) 0.000 7.645 ( -0.000 0.000 0.000) 0.000 8.131 ( -0.000 0.000 -0.000) 0.000 8.131 ( -0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 -0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.848 ( -0.000 0.000 0.000) 0.000 8.848 ( -0.000 0.000 0.000) 0.000 9.033 ( -0.000 0.000 0.000) 0.000 9.033 ( -0.000 0.000 0.000) 0.000 9.857 ( -0.000 0.000 0.000) 0.000 9.857 ( -0.000 0.000 0.000) 0.000 10.049 ( -0.000 0.000 0.000) 0.000 10.049 ( -0.000 0.000 0.000) 0.000 10.514 ( -0.000 0.000 0.000) 0.000 10.514 ( -0.000 -0.000 0.000) 0.000 11.096 ( -0.000 0.000 -0.000) 0.000 11.096 ( -0.000 -0.000 0.000) 0.000 11.356 ( -0.000 0.000 0.000) 0.000 11.356 ( -0.000 0.000 0.000) 0.000 11.957 ( -0.000 0.000 -0.000) 0.000 11.957 ( -0.000 0.000 0.000) 0.000 12.289 ( -0.000 0.000 0.000) 0.000 12.289 ( -0.000 0.000 0.000) 0.000 12.770 ( -0.000 -0.000 -0.000) 0.000 12.770 ( -0.000 0.000 0.000) 0.000 12.811 ( -0.000 0.000 0.000) 0.000 12.811 ( -0.000 0.000 0.000) 0.000 14.093 ( -0.000 0.000 -0.000) 0.000 14.093 ( -0.000 0.000 0.000) 0.000 14.215 ( 0.000 -0.000 0.000) 0.000 14.215 ( 0.000 0.000 0.000) 0.000 14.244 ( -0.000 -0.000 0.000) 0.000 14.244 ( -0.000 0.000 0.000) 0.000 14.718 ( -0.000 0.000 0.000) 0.000 14.718 ( -0.000 0.000 0.000) 0.000 14.995 ( -0.000 0.000 0.000) 0.000 14.995 ( 0.000 0.000 0.000) 0.000 15.067 ( -0.000 0.000 0.000) 0.000 15.067 ( -0.000 0.000 0.000) 0.000 15.270 ( -0.000 0.000 0.000) 0.000 15.270 ( -0.000 0.000 0.000) 0.000 15.760 ( -0.000 0.000 0.000) 0.000 15.760 ( -0.000 0.000 0.000) 0.000 16.238 ( -0.000 -0.000 -0.000) 0.000 16.238 ( 0.000 -0.000 0.000) 0.000 16.359 ( -0.000 0.000 -0.000) 0.000 16.359 ( -0.000 0.000 0.000) 0.000 16.624 ( -0.000 0.000 0.000) 0.000 16.624 ( -0.000 0.000 0.000) 0.000 16.817 ( -0.000 0.000 -0.000) 0.000 16.817 ( 0.000 -0.000 0.000) 0.000 16.936 ( -0.000 -0.000 0.000) 0.000 16.936 ( 0.000 0.000 0.000) 0.000 18.028 ( -0.000 0.000 0.000) 0.000 18.028 ( -0.000 0.000 0.000) 0.000 19.058 ( -0.000 0.000 -0.000) 0.000 19.058 ( -0.000 0.000 0.000) 0.000 21.119 ( -0.000 0.000 0.000) 0.000 21.119 ( -0.000 0.000 0.000) 0.000 21.333 ( -0.000 0.000 -0.000) 0.000 21.333 ( -0.000 0.000 0.000) 0.000 21.821 ( -0.000 -0.000 0.000) 0.000 21.821 ( -0.000 0.000 0.000) 0.000 21.828 ( 0.000 -0.000 -0.000) 0.000 21.828 ( 0.000 0.000 -0.000) 0.000 22.666 ( -0.000 0.000 -0.000) 0.000 22.666 ( -0.000 0.000 0.000) 0.000 22.774 ( -0.000 -0.000 0.000) 0.000 22.774 ( -0.000 0.000 0.000) 0.000 22.977 ( -0.000 0.000 0.000) 0.000 22.977 ( -0.000 0.000 0.000) 0.000 23.450 ( -0.000 0.000 0.000) 0.000 23.450 ( -0.000 0.000 0.000) 0.000 23.759 ( -0.000 0.000 -0.000) 0.000 23.759 ( -0.000 0.000 0.000) 0.000 24.210 ( -0.000 0.000 0.000) 0.000 24.210 ( -0.000 0.000 0.000) 0.000 24.670 ( -0.000 -0.000 0.000) 0.000 24.670 ( -0.000 0.000 0.000) 0.000 25.020 ( -0.000 0.000 0.000) 0.000 25.020 ( -0.000 0.000 0.000) 0.000 29.204 ( -0.000 -0.000 0.000) 0.000 29.204 ( -0.000 0.000 0.000) 0.000 29.430 ( -0.000 0.000 0.000) 0.000 29.430 ( -0.000 0.000 0.000) 0.000 29.744 ( -0.000 0.000 0.000) 0.000 29.744 ( -0.000 0.000 0.000) 0.000 29.826 ( -0.000 0.000 0.000) 0.000 29.826 ( -0.000 0.000 0.000) 0.000 30.130 ( -0.000 -0.000 0.000) 0.000 30.130 ( -0.000 0.000 0.000) 0.000 30.173 ( -0.000 -0.000 0.000) 0.000 30.173 ( -0.000 0.000 0.000) 0.000 30.640 ( -0.000 0.000 -0.000) 0.000 30.640 ( -0.000 0.000 0.000) 0.000 30.762 ( -0.000 -0.000 0.000) 0.000 30.762 ( -0.000 -0.000 0.000) 0.000 31.258 ( -0.000 0.000 0.000) 0.000 31.258 ( -0.000 0.000 0.000) 0.000 31.523 ( -0.000 0.000 0.000) 0.000 31.523 ( -0.000 0.000 0.000) 0.000 31.773 ( -0.000 0.000 -0.000) 0.000 31.773 ( -0.000 0.000 0.000) 0.000 31.851 ( -0.000 0.000 0.000) 0.000 31.851 ( 0.000 -0.000 0.000) 0.000 32.718 ( -0.000 0.000 0.000) 0.000 32.718 ( -0.000 0.000 0.000) 0.000 33.125 ( -0.000 0.000 0.000) 0.000 33.125 ( -0.000 0.000 0.000) 0.000 34.709 ( -0.000 -0.000 -0.000) 0.000 34.709 ( -0.000 0.000 0.000) 0.000 34.776 ( -0.000 0.000 -0.000) 0.000 34.776 ( -0.000 0.000 0.000) 0.000 =================== 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 3/33696 10.0 1852.318 2760.221 2985.593 0.000 45.620 0.000 3/33696 20.0 371.193 613.882 372.397 0.000 25.410 0.000 3/33696 30.0 115.605 187.349 104.378 0.000 3.479 0.000 3/33696 40.0 54.853 86.854 49.634 0.000 0.831 0.000 3/33696 50.0 32.858 50.806 30.261 0.000 0.292 0.000 3/33696 60.0 22.620 34.295 21.181 0.000 0.126 0.000 3/33696 70.0 17.013 25.386 16.137 0.000 0.055 0.000 3/33696 80.0 13.576 19.994 13.000 0.000 0.016 0.000 3/33696 90.0 11.291 16.445 10.885 0.000 -0.009 0.000 3/33696 100.0 9.676 13.959 9.374 0.000 -0.026 0.000 3/33696 110.0 8.478 12.131 8.245 0.000 -0.038 0.000 3/33696 120.0 7.557 10.735 7.372 0.000 -0.048 0.000 3/33696 130.0 6.828 9.636 6.676 0.000 -0.055 0.000 3/33696 140.0 6.236 8.750 6.110 0.000 -0.061 0.000 3/33696 150.0 5.746 8.020 5.639 0.000 -0.065 0.000 3/33696 160.0 5.334 7.408 5.241 0.000 -0.068 0.000 3/33696 170.0 4.982 6.888 4.901 0.000 -0.070 0.000 3/33696 180.0 4.677 6.439 4.605 0.000 -0.071 0.000 3/33696 190.0 4.411 6.049 4.346 0.000 -0.072 0.000 3/33696 200.0 4.177 5.706 4.117 0.000 -0.072 0.000 3/33696 210.0 3.968 5.402 3.912 0.000 -0.072 0.000 3/33696 220.0 3.781 5.131 3.729 0.000 -0.071 0.000 3/33696 230.0 3.612 4.887 3.563 0.000 -0.070 0.000 3/33696 240.0 3.459 4.666 3.412 0.000 -0.069 0.000 3/33696 250.0 3.320 4.466 3.275 0.000 -0.068 0.000 3/33696 260.0 3.192 4.283 3.149 0.000 -0.067 0.000 3/33696 270.0 3.075 4.115 3.033 0.000 -0.065 0.000 3/33696 280.0 2.967 3.961 2.926 0.000 -0.064 0.000 3/33696 290.0 2.867 3.819 2.826 0.000 -0.063 0.000 3/33696 300.0 2.773 3.686 2.734 0.000 -0.061 0.000 3/33696 310.0 2.687 3.564 2.647 0.000 -0.060 0.000 3/33696 320.0 2.606 3.449 2.567 0.000 -0.058 0.000 3/33696 330.0 2.530 3.342 2.491 0.000 -0.057 0.000 3/33696 340.0 2.458 3.242 2.420 0.000 -0.055 0.000 3/33696 350.0 2.391 3.148 2.353 0.000 -0.054 0.000 3/33696 360.0 2.328 3.059 2.290 0.000 -0.052 0.000 3/33696 370.0 2.268 2.975 2.231 0.000 -0.051 0.000 3/33696 380.0 2.211 2.897 2.174 0.000 -0.050 0.000 3/33696 390.0 2.158 2.822 2.121 0.000 -0.048 0.000 3/33696 400.0 2.107 2.751 2.070 0.000 -0.047 0.000 3/33696 410.0 2.058 2.684 2.022 0.000 -0.046 0.000 3/33696 420.0 2.012 2.620 1.976 0.000 -0.045 0.000 3/33696 430.0 1.968 2.559 1.932 0.000 -0.044 0.000 3/33696 440.0 1.926 2.501 1.890 0.000 -0.043 0.000 3/33696 450.0 1.885 2.446 1.850 0.000 -0.042 0.000 3/33696 460.0 1.847 2.393 1.811 0.000 -0.041 0.000 3/33696 470.0 1.810 2.343 1.775 0.000 -0.040 0.000 3/33696 480.0 1.774 2.294 1.739 0.000 -0.039 0.000 3/33696 490.0 1.740 2.248 1.706 0.000 -0.038 0.000 3/33696 500.0 1.708 2.203 1.673 0.000 -0.037 0.000 3/33696 510.0 1.676 2.161 1.642 0.000 -0.036 0.000 3/33696 520.0 1.646 2.119 1.612 0.000 -0.035 0.000 3/33696 530.0 1.617 2.080 1.583 0.000 -0.034 0.000 3/33696 540.0 1.589 2.042 1.555 0.000 -0.034 0.000 3/33696 550.0 1.561 2.005 1.528 0.000 -0.033 0.000 3/33696 560.0 1.535 1.970 1.502 0.000 -0.032 0.000 3/33696 570.0 1.510 1.936 1.477 0.000 -0.032 0.000 3/33696 580.0 1.485 1.903 1.452 0.000 -0.031 0.000 3/33696 590.0 1.461 1.871 1.429 0.000 -0.030 0.000 3/33696 600.0 1.439 1.840 1.406 0.000 -0.030 0.000 3/33696 610.0 1.416 1.811 1.384 0.000 -0.029 0.000 3/33696 620.0 1.395 1.782 1.363 0.000 -0.029 0.000 3/33696 630.0 1.374 1.754 1.342 0.000 -0.028 0.000 3/33696 640.0 1.353 1.727 1.322 0.000 -0.028 0.000 3/33696 650.0 1.334 1.701 1.302 0.000 -0.027 0.000 3/33696 660.0 1.315 1.675 1.283 0.000 -0.027 0.000 3/33696 670.0 1.296 1.651 1.265 0.000 -0.026 0.000 3/33696 680.0 1.278 1.627 1.247 0.000 -0.026 0.000 3/33696 690.0 1.260 1.604 1.230 0.000 -0.025 0.000 3/33696 700.0 1.243 1.581 1.213 0.000 -0.025 0.000 3/33696 710.0 1.227 1.559 1.196 0.000 -0.024 0.000 3/33696 720.0 1.210 1.538 1.180 0.000 -0.024 0.000 3/33696 730.0 1.195 1.517 1.165 0.000 -0.024 0.000 3/33696 740.0 1.179 1.497 1.150 0.000 -0.023 0.000 3/33696 750.0 1.164 1.477 1.135 0.000 -0.023 0.000 3/33696 760.0 1.150 1.458 1.121 0.000 -0.022 0.000 3/33696 770.0 1.135 1.439 1.107 0.000 -0.022 0.000 3/33696 780.0 1.122 1.421 1.093 0.000 -0.022 0.000 3/33696 790.0 1.108 1.403 1.080 0.000 -0.021 0.000 3/33696 800.0 1.095 1.386 1.066 0.000 -0.021 0.000 3/33696 810.0 1.082 1.369 1.054 0.000 -0.021 0.000 3/33696 820.0 1.069 1.353 1.041 0.000 -0.021 0.000 3/33696 830.0 1.057 1.336 1.029 0.000 -0.020 0.000 3/33696 840.0 1.045 1.321 1.017 0.000 -0.020 0.000 3/33696 850.0 1.033 1.305 1.006 0.000 -0.020 0.000 3/33696 860.0 1.021 1.290 0.994 0.000 -0.019 0.000 3/33696 870.0 1.010 1.276 0.983 0.000 -0.019 0.000 3/33696 880.0 0.999 1.261 0.973 0.000 -0.019 0.000 3/33696 890.0 0.988 1.248 0.962 0.000 -0.019 0.000 3/33696 900.0 0.978 1.234 0.952 0.000 -0.018 0.000 3/33696 910.0 0.967 1.220 0.941 0.000 -0.018 0.000 3/33696 920.0 0.957 1.207 0.931 0.000 -0.018 0.000 3/33696 930.0 0.947 1.194 0.922 0.000 -0.018 0.000 3/33696 940.0 0.938 1.182 0.912 0.000 -0.017 0.000 3/33696 950.0 0.928 1.170 0.903 0.000 -0.017 0.000 3/33696 960.0 0.919 1.158 0.894 0.000 -0.017 0.000 3/33696 970.0 0.910 1.146 0.885 0.000 -0.017 0.000 3/33696 980.0 0.901 1.134 0.876 0.000 -0.017 0.000 3/33696 990.0 0.892 1.123 0.867 0.000 -0.016 0.000 3/33696 1000.0 0.883 1.112 0.859 0.000 -0.016 0.000 3/33696 Thermal conductivity related properties were written into "kappa-m666.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:00:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|