----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:22:18]------------------------- 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 7.232985990346415 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701558609999999 0.000000000000000 c -3.460931634805839 0.000000000000000 8.675152877910994 Atomic positions (fractional): *1 O 0.81275277214616 0.30566404743352 0.37872331913290 15.999 2 O 0.18724722785384 0.80566404743352 0.12127668086710 15.999 3 O 0.18724722785384 0.69433595256648 0.62127668086710 15.999 4 O 0.81275277214616 0.19433595256648 0.87872331913290 15.999 *5 O 0.30717891277588 0.20919968061891 0.37884726012765 15.999 6 O 0.69282108722411 0.70919968061891 0.12115273987235 15.999 7 O 0.69282108722411 0.79080031938109 0.62115273987235 15.999 8 O 0.30717891277588 0.29080031938109 0.87884726012765 15.999 *9 O 0.85656923631488 0.10310015661397 0.60024325572031 15.999 10 O 0.14343076368512 0.60310015661397 0.89975674427969 15.999 11 O 0.14343076368512 0.89689984338603 0.39975674427969 15.999 12 O 0.85656923631488 0.39689984338603 0.10024325572031 15.999 *13 O 0.50014409667487 0.08148127163009 0.64471136209281 15.999 14 O 0.49985590332513 0.58148127163009 0.85528863790719 15.999 15 O 0.49985590332513 0.91851872836991 0.35528863790719 15.999 16 O 0.50014409667487 0.41851872836991 0.14471136209281 15.999 *17 O 0.62232994201726 0.14417601116409 0.05934227656058 15.999 18 O 0.37767005798274 0.64417601116409 0.44065772343942 15.999 19 O 0.37767005798274 0.85582398883591 0.94065772343942 15.999 20 O 0.62232994201726 0.35582398883591 0.55934227656058 15.999 *21 O 0.97645331525246 0.08383371432226 0.15659447262256 15.999 22 O 0.02354668474754 0.58383371432226 0.34340552737744 15.999 23 O 0.02354668474754 0.91616628567774 0.84340552737744 15.999 24 O 0.97645331525246 0.41616628567774 0.65659447262256 15.999 *25 O 0.31288796425747 0.13532434233111 0.11307285614421 15.999 26 O 0.68711203574253 0.63532434233111 0.38692714385579 15.999 27 O 0.68711203574253 0.86467565766889 0.88692714385579 15.999 28 O 0.31288796425747 0.36467565766889 0.61307285614421 15.999 *29 Na 0.79091483327928 0.52508071363013 0.79737046106500 22.990 30 Na 0.20908516672072 0.02508071363013 0.70262953893500 22.990 31 Na 0.20908516672072 0.47491928636987 0.20262953893500 22.990 32 Na 0.79091483327928 0.97491928636987 0.29737046106500 22.990 *33 Al 0.23979710764074 0.00934397879648 0.25300304334814 26.982 34 Al 0.76020289235926 0.50934397879648 0.24699695665186 26.982 35 Al 0.76020289235926 0.99065602120352 0.74699695665186 26.982 36 Al 0.23979710764074 0.49065602120352 0.75300304334814 26.982 *37 P 0.42699528565292 0.24566649245529 0.54788714726726 30.974 38 P 0.57300471434708 0.74566649245529 0.95211285273274 30.974 39 P 0.57300471434708 0.75433350754471 0.45211285273274 30.974 40 P 0.42699528565292 0.25433350754471 0.04788714726726 30.974 *41 P 0.82921214911928 0.29279545753320 0.54561085433379 30.974 42 P 0.17078785088072 0.79279545753320 0.95438914566621 30.974 43 P 0.17078785088072 0.70720454246680 0.45438914566621 30.974 44 P 0.82921214911928 0.20720454246680 0.04561085433379 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.232985990346415 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701558609999999 0.000000000000000 c -3.460931634805839 0.000000000000000 8.675152877910994 Atomic positions (fractional): *1 O 0.81275277214616 0.30566404743352 0.37872331913290 15.999 > 1 2 O 0.18724722785384 0.80566404743352 0.12127668086710 15.999 > 2 3 O 0.18724722785384 0.69433595256648 0.62127668086710 15.999 > 3 4 O 0.81275277214616 0.19433595256648 0.87872331913290 15.999 > 4 *5 O 0.30717891277588 0.20919968061891 0.37884726012765 15.999 > 5 6 O 0.69282108722411 0.70919968061891 0.12115273987235 15.999 > 6 7 O 0.69282108722411 0.79080031938109 0.62115273987235 15.999 > 7 8 O 0.30717891277588 0.29080031938109 0.87884726012765 15.999 > 8 *9 O 0.85656923631488 0.10310015661397 0.60024325572031 15.999 > 9 10 O 0.14343076368512 0.60310015661397 0.89975674427969 15.999 > 10 11 O 0.14343076368512 0.89689984338603 0.39975674427969 15.999 > 11 12 O 0.85656923631488 0.39689984338603 0.10024325572031 15.999 > 12 *13 O 0.50014409667487 0.08148127163009 0.64471136209281 15.999 > 13 14 O 0.49985590332513 0.58148127163009 0.85528863790719 15.999 > 14 15 O 0.49985590332513 0.91851872836991 0.35528863790719 15.999 > 15 16 O 0.50014409667487 0.41851872836991 0.14471136209281 15.999 > 16 *17 O 0.62232994201726 0.14417601116409 0.05934227656058 15.999 > 17 18 O 0.37767005798274 0.64417601116409 0.44065772343942 15.999 > 18 19 O 0.37767005798274 0.85582398883591 0.94065772343942 15.999 > 19 20 O 0.62232994201726 0.35582398883591 0.55934227656058 15.999 > 20 *21 O 0.97645331525246 0.08383371432226 0.15659447262256 15.999 > 21 22 O 0.02354668474754 0.58383371432226 0.34340552737744 15.999 > 22 23 O 0.02354668474754 0.91616628567774 0.84340552737744 15.999 > 23 24 O 0.97645331525246 0.41616628567774 0.65659447262256 15.999 > 24 *25 O 0.31288796425747 0.13532434233111 0.11307285614421 15.999 > 25 26 O 0.68711203574253 0.63532434233111 0.38692714385579 15.999 > 26 27 O 0.68711203574253 0.86467565766889 0.88692714385579 15.999 > 27 28 O 0.31288796425747 0.36467565766889 0.61307285614421 15.999 > 28 *29 Na 0.79091483327928 0.52508071363013 0.79737046106500 22.990 > 29 30 Na 0.20908516672072 0.02508071363013 0.70262953893500 22.990 > 30 31 Na 0.20908516672072 0.47491928636987 0.20262953893500 22.990 > 31 32 Na 0.79091483327928 0.97491928636987 0.29737046106500 22.990 > 32 *33 Al 0.23979710764074 0.00934397879648 0.25300304334814 26.982 > 33 34 Al 0.76020289235926 0.50934397879648 0.24699695665186 26.982 > 34 35 Al 0.76020289235926 0.99065602120352 0.74699695665186 26.982 > 35 36 Al 0.23979710764074 0.49065602120352 0.75300304334814 26.982 > 36 *37 P 0.42699528565292 0.24566649245529 0.54788714726726 30.974 > 37 38 P 0.57300471434708 0.74566649245529 0.95211285273274 30.974 > 38 39 P 0.57300471434708 0.75433350754471 0.45211285273274 30.974 > 39 40 P 0.42699528565292 0.25433350754471 0.04788714726726 30.974 > 40 *41 P 0.82921214911928 0.29279545753320 0.54561085433379 30.974 > 41 42 P 0.17078785088072 0.79279545753320 0.95438914566621 30.974 > 42 43 P 0.17078785088072 0.70720454246680 0.45438914566621 30.974 > 43 44 P 0.82921214911928 0.20720454246680 0.04561085433379 30.974 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.465971980692830 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701558609999999 0.000000000000000 c -3.460931634805839 0.000000000000000 8.675152877910994 Atomic positions (fractional): *1 O 0.40637638607308 0.30566404743352 0.37872331913290 15.999 > 1 2 O 0.90637638607308 0.30566404743352 0.37872331913290 15.999 > 1 3 O 0.09362361392692 0.80566404743352 0.12127668086710 15.999 > 2 4 O 0.59362361392692 0.80566404743352 0.12127668086710 15.999 > 2 5 O 0.09362361392692 0.69433595256648 0.62127668086710 15.999 > 3 6 O 0.59362361392692 0.69433595256648 0.62127668086710 15.999 > 3 7 O 0.40637638607308 0.19433595256648 0.87872331913290 15.999 > 4 8 O 0.90637638607308 0.19433595256648 0.87872331913290 15.999 > 4 *9 O 0.15358945638794 0.20919968061891 0.37884726012765 15.999 > 5 10 O 0.65358945638794 0.20919968061891 0.37884726012765 15.999 > 5 11 O 0.34641054361206 0.70919968061891 0.12115273987235 15.999 > 6 12 O 0.84641054361206 0.70919968061891 0.12115273987235 15.999 > 6 13 O 0.34641054361206 0.79080031938109 0.62115273987235 15.999 > 7 14 O 0.84641054361206 0.79080031938109 0.62115273987235 15.999 > 7 15 O 0.15358945638794 0.29080031938109 0.87884726012765 15.999 > 8 16 O 0.65358945638794 0.29080031938109 0.87884726012765 15.999 > 8 *17 O 0.42828461815744 0.10310015661397 0.60024325572031 15.999 > 9 18 O 0.92828461815744 0.10310015661397 0.60024325572031 15.999 > 9 19 O 0.07171538184256 0.60310015661397 0.89975674427969 15.999 > 10 20 O 0.57171538184256 0.60310015661397 0.89975674427969 15.999 > 10 21 O 0.07171538184256 0.89689984338603 0.39975674427969 15.999 > 11 22 O 0.57171538184256 0.89689984338603 0.39975674427969 15.999 > 11 23 O 0.42828461815744 0.39689984338603 0.10024325572031 15.999 > 12 24 O 0.92828461815744 0.39689984338603 0.10024325572031 15.999 > 12 *25 O 0.25007204833744 0.08148127163009 0.64471136209281 15.999 > 13 26 O 0.75007204833744 0.08148127163009 0.64471136209281 15.999 > 13 27 O 0.24992795166257 0.58148127163009 0.85528863790719 15.999 > 14 28 O 0.74992795166256 0.58148127163009 0.85528863790719 15.999 > 14 29 O 0.24992795166257 0.91851872836991 0.35528863790719 15.999 > 15 30 O 0.74992795166256 0.91851872836991 0.35528863790719 15.999 > 15 31 O 0.25007204833744 0.41851872836991 0.14471136209281 15.999 > 16 32 O 0.75007204833744 0.41851872836991 0.14471136209281 15.999 > 16 *33 O 0.31116497100863 0.14417601116409 0.05934227656058 15.999 > 17 34 O 0.81116497100863 0.14417601116409 0.05934227656058 15.999 > 17 35 O 0.18883502899137 0.64417601116409 0.44065772343942 15.999 > 18 36 O 0.68883502899137 0.64417601116409 0.44065772343942 15.999 > 18 37 O 0.18883502899137 0.85582398883591 0.94065772343942 15.999 > 19 38 O 0.68883502899137 0.85582398883591 0.94065772343942 15.999 > 19 39 O 0.31116497100863 0.35582398883591 0.55934227656058 15.999 > 20 40 O 0.81116497100863 0.35582398883591 0.55934227656058 15.999 > 20 *41 O 0.48822665762623 0.08383371432226 0.15659447262256 15.999 > 21 42 O 0.98822665762623 0.08383371432226 0.15659447262256 15.999 > 21 43 O 0.01177334237377 0.58383371432226 0.34340552737744 15.999 > 22 44 O 0.51177334237377 0.58383371432226 0.34340552737744 15.999 > 22 45 O 0.01177334237377 0.91616628567774 0.84340552737744 15.999 > 23 46 O 0.51177334237377 0.91616628567774 0.84340552737744 15.999 > 23 47 O 0.48822665762623 0.41616628567774 0.65659447262256 15.999 > 24 48 O 0.98822665762623 0.41616628567774 0.65659447262256 15.999 > 24 *49 O 0.15644398212874 0.13532434233111 0.11307285614421 15.999 > 25 50 O 0.65644398212874 0.13532434233111 0.11307285614421 15.999 > 25 51 O 0.34355601787126 0.63532434233111 0.38692714385579 15.999 > 26 52 O 0.84355601787126 0.63532434233111 0.38692714385579 15.999 > 26 53 O 0.34355601787126 0.86467565766889 0.88692714385579 15.999 > 27 54 O 0.84355601787126 0.86467565766889 0.88692714385579 15.999 > 27 55 O 0.15644398212874 0.36467565766889 0.61307285614421 15.999 > 28 56 O 0.65644398212874 0.36467565766889 0.61307285614421 15.999 > 28 *57 Na 0.39545741663964 0.52508071363013 0.79737046106500 22.990 > 29 58 Na 0.89545741663964 0.52508071363013 0.79737046106500 22.990 > 29 59 Na 0.10454258336036 0.02508071363013 0.70262953893500 22.990 > 30 60 Na 0.60454258336036 0.02508071363013 0.70262953893500 22.990 > 30 61 Na 0.10454258336036 0.47491928636987 0.20262953893500 22.990 > 31 62 Na 0.60454258336036 0.47491928636987 0.20262953893500 22.990 > 31 63 Na 0.39545741663964 0.97491928636987 0.29737046106500 22.990 > 32 64 Na 0.89545741663964 0.97491928636987 0.29737046106500 22.990 > 32 *65 Al 0.11989855382037 0.00934397879648 0.25300304334814 26.982 > 33 66 Al 0.61989855382037 0.00934397879648 0.25300304334814 26.982 > 33 67 Al 0.38010144617963 0.50934397879648 0.24699695665186 26.982 > 34 68 Al 0.88010144617963 0.50934397879648 0.24699695665186 26.982 > 34 69 Al 0.38010144617963 0.99065602120352 0.74699695665186 26.982 > 35 70 Al 0.88010144617963 0.99065602120352 0.74699695665186 26.982 > 35 71 Al 0.11989855382037 0.49065602120352 0.75300304334814 26.982 > 36 72 Al 0.61989855382037 0.49065602120352 0.75300304334814 26.982 > 36 *73 P 0.21349764282646 0.24566649245529 0.54788714726726 30.974 > 37 74 P 0.71349764282646 0.24566649245529 0.54788714726726 30.974 > 37 75 P 0.28650235717354 0.74566649245529 0.95211285273274 30.974 > 38 76 P 0.78650235717354 0.74566649245529 0.95211285273274 30.974 > 38 77 P 0.28650235717354 0.75433350754471 0.45211285273274 30.974 > 39 78 P 0.78650235717354 0.75433350754471 0.45211285273274 30.974 > 39 79 P 0.21349764282646 0.25433350754471 0.04788714726726 30.974 > 40 80 P 0.71349764282646 0.25433350754471 0.04788714726726 30.974 > 40 *81 P 0.41460607455964 0.29279545753320 0.54561085433379 30.974 > 41 82 P 0.91460607455964 0.29279545753320 0.54561085433379 30.974 > 41 83 P 0.08539392544036 0.79279545753320 0.95438914566621 30.974 > 42 84 P 0.58539392544036 0.79279545753320 0.95438914566621 30.974 > 42 85 P 0.08539392544036 0.70720454246680 0.45438914566621 30.974 > 43 86 P 0.58539392544036 0.70720454246680 0.45438914566621 30.974 > 43 87 P 0.41460607455964 0.20720454246680 0.04561085433379 30.974 > 44 88 P 0.91460607455964 0.20720454246680 0.04561085433379 30.974 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6753226 0.0000000 -0.0035393 0.0000000 2.6614405 0.0000000 -0.0035387 0.0000000 2.6870266 -------------------------- Born effective charges -------------------------- 1 O -1.1347644 -0.1026113 0.3523147 -0.1378097 -1.3757950 0.2994362 0.2571972 0.3660727 -2.2041890 2 O -1.1347644 0.1026113 0.3523147 0.1378097 -1.3757950 -0.2994362 0.2571972 -0.3660727 -2.2041890 3 O -1.1347644 -0.1026113 0.3523147 -0.1378097 -1.3757950 0.2994362 0.2571972 0.3660727 -2.2041890 4 O -1.1347644 0.1026113 0.3523147 0.1378097 -1.3757950 -0.2994362 0.2571972 -0.3660727 -2.2041890 5 O -1.0740934 -0.0782558 -0.2332833 0.0010745 -1.4763968 -0.4347235 -0.1836081 -0.4335546 -2.1954456 6 O -1.0740934 0.0782558 -0.2332833 -0.0010745 -1.4763968 0.4347235 -0.1836081 0.4335546 -2.1954456 7 O -1.0740934 -0.0782558 -0.2332833 0.0010745 -1.4763968 -0.4347235 -0.1836081 -0.4335546 -2.1954456 8 O -1.0740934 0.0782558 -0.2332833 -0.0010745 -1.4763968 0.4347235 -0.1836081 0.4335546 -2.1954456 9 O -1.3259414 -0.1144877 0.1275011 -0.2033886 -1.9985470 0.5031490 0.1590299 0.4133053 -1.3901181 10 O -1.3259414 0.1144877 0.1275011 0.2033886 -1.9985470 -0.5031490 0.1590299 -0.4133053 -1.3901181 11 O -1.3259414 -0.1144877 0.1275011 -0.2033886 -1.9985470 0.5031490 0.1590299 0.4133053 -1.3901181 12 O -1.3259414 0.1144877 0.1275011 0.2033886 -1.9985470 -0.5031490 0.1590299 -0.4133053 -1.3901181 13 O -1.3211887 0.1577135 -0.1469738 0.2921032 -1.7842048 0.4880131 -0.2774409 0.4477994 -1.5405656 14 O -1.3211887 -0.1577135 -0.1469738 -0.2921032 -1.7842048 -0.4880131 -0.2774409 -0.4477994 -1.5405656 15 O -1.3211887 0.1577135 -0.1469738 0.2921032 -1.7842048 0.4880131 -0.2774409 0.4477994 -1.5405656 16 O -1.3211887 -0.1577135 -0.1469738 -0.2921032 -1.7842048 -0.4880131 -0.2774409 -0.4477994 -1.5405656 17 O -2.8973599 0.2231286 0.0092661 0.2995667 -1.2370358 0.0137062 0.0377209 -0.0324439 -0.9301328 18 O -2.8973599 -0.2231286 0.0092661 -0.2995667 -1.2370358 -0.0137062 0.0377209 0.0324439 -0.9301328 19 O -2.8973599 0.2231286 0.0092661 0.2995667 -1.2370358 0.0137062 0.0377209 -0.0324439 -0.9301328 20 O -2.8973599 -0.2231286 0.0092661 -0.2995667 -1.2370358 -0.0137062 0.0377209 0.0324439 -0.9301328 21 O -1.8687568 0.6157574 -0.6619845 0.4838142 -1.5106844 0.5055686 -0.4463298 0.4125062 -1.6213891 22 O -1.8687568 -0.6157574 -0.6619845 -0.4838142 -1.5106844 -0.5055686 -0.4463298 -0.4125062 -1.6213891 23 O -1.8687568 0.6157574 -0.6619845 0.4838142 -1.5106844 0.5055686 -0.4463298 0.4125062 -1.6213891 24 O -1.8687568 -0.6157574 -0.6619845 -0.4838142 -1.5106844 -0.5055686 -0.4463298 -0.4125062 -1.6213891 25 O -1.7963047 -0.6991407 0.5381605 -0.6457128 -1.6973919 0.4155878 0.4898272 0.3927506 -1.4551256 26 O -1.7963047 0.6991407 0.5381605 0.6457128 -1.6973919 -0.4155878 0.4898272 -0.3927506 -1.4551256 27 O -1.7963047 -0.6991407 0.5381605 -0.6457128 -1.6973919 0.4155878 0.4898272 0.3927506 -1.4551256 28 O -1.7963047 0.6991407 0.5381605 0.6457128 -1.6973919 -0.4155878 0.4898272 -0.3927506 -1.4551256 29 Na 1.1270591 -0.0111831 -0.0293038 -0.0156205 1.1777766 0.0301494 -0.0608603 -0.0646660 1.1395962 30 Na 1.1270591 0.0111831 -0.0293038 0.0156205 1.1777766 -0.0301494 -0.0608603 0.0646660 1.1395962 31 Na 1.1270591 -0.0111831 -0.0293038 -0.0156205 1.1777766 0.0301494 -0.0608603 -0.0646660 1.1395962 32 Na 1.1270591 0.0111831 -0.0293038 0.0156205 1.1777766 -0.0301494 -0.0608603 0.0646660 1.1395962 33 Al 3.1263887 0.0595956 -0.0727341 -0.0853290 3.2897951 -0.4973478 0.2068327 0.2842100 3.5779587 34 Al 3.1263887 -0.0595956 -0.0727341 0.0853290 3.2897951 0.4973478 0.2068327 -0.2842100 3.5779587 35 Al 3.1263887 0.0595956 -0.0727341 -0.0853290 3.2897951 -0.4973478 0.2068327 0.2842100 3.5779587 36 Al 3.1263887 -0.0595956 -0.0727341 0.0853290 3.2897951 0.4973478 0.2068327 -0.2842100 3.5779587 37 P 3.5461555 -0.0394513 0.0623392 -0.3169414 3.3553229 0.2700019 -0.0782188 0.0565184 3.2875376 38 P 3.5461555 0.0394513 0.0623392 0.3169414 3.3553229 -0.2700019 -0.0782188 -0.0565184 3.2875376 39 P 3.5461555 -0.0394513 0.0623392 -0.3169414 3.3553229 0.2700019 -0.0782188 0.0565184 3.2875376 40 P 3.5461555 0.0394513 0.0623392 0.3169414 3.3553229 -0.2700019 -0.0782188 -0.0565184 3.2875376 41 P 3.6188059 0.2453206 0.0546979 0.4499271 3.2571611 -0.2391117 -0.1041501 -0.1579934 3.3318734 42 P 3.6188059 -0.2453206 0.0546979 -0.4499271 3.2571611 0.2391117 -0.1041501 0.1579934 3.3318734 43 P 3.6188059 0.2453206 0.0546979 0.4499271 3.2571611 -0.2391117 -0.1041501 -0.1579934 3.3318734 44 P 3.6188059 -0.2453206 0.0546979 -0.4499271 3.2571611 0.2391117 -0.1041501 0.1579934 3.3318734 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 1360 - Time: 0.910 Solver_block: 200 / 1360 - Time: 0.938 Solver_block: 300 / 1360 - Time: 1.170 Solver_block: 400 / 1360 - Time: 1.407 Solver_block: 500 / 1360 - Time: 0.769 Solver_block: 600 / 1360 - Time: 0.814 Solver_block: 700 / 1360 - Time: 1.352 Solver_block: 800 / 1360 - Time: 1.568 Solver_block: 900 / 1360 - Time: 1.520 Solver_block: 1000 / 1360 - Time: 0.727 Solver_block: 1100 / 1360 - Time: 1.287 Solver_block: 1200 / 1360 - Time: 1.414 Solver_block: 1300 / 1360 - Time: 1.215 Solver_block: 1360 / 1360 - Time: 0.772 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.889 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:23:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:23:46]------------------------- 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 7.232985990346415 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701558609999999 0.000000000000000 c -3.460931634805839 0.000000000000000 8.675152877910994 Atomic positions (fractional): 1 O 0.81275277214616 0.30566404743352 0.37872331913290 15.999 2 O 0.18724722785384 0.80566404743352 0.12127668086710 15.999 3 O 0.18724722785384 0.69433595256648 0.62127668086710 15.999 4 O 0.81275277214616 0.19433595256648 0.87872331913290 15.999 5 O 0.30717891277588 0.20919968061891 0.37884726012765 15.999 6 O 0.69282108722411 0.70919968061891 0.12115273987235 15.999 7 O 0.69282108722411 0.79080031938109 0.62115273987235 15.999 8 O 0.30717891277588 0.29080031938109 0.87884726012765 15.999 9 O 0.85656923631488 0.10310015661397 0.60024325572031 15.999 10 O 0.14343076368512 0.60310015661397 0.89975674427969 15.999 11 O 0.14343076368512 0.89689984338603 0.39975674427969 15.999 12 O 0.85656923631488 0.39689984338603 0.10024325572031 15.999 13 O 0.50014409667487 0.08148127163009 0.64471136209281 15.999 14 O 0.49985590332513 0.58148127163009 0.85528863790719 15.999 15 O 0.49985590332513 0.91851872836991 0.35528863790719 15.999 16 O 0.50014409667487 0.41851872836991 0.14471136209281 15.999 17 O 0.62232994201726 0.14417601116409 0.05934227656058 15.999 18 O 0.37767005798274 0.64417601116409 0.44065772343942 15.999 19 O 0.37767005798274 0.85582398883591 0.94065772343942 15.999 20 O 0.62232994201726 0.35582398883591 0.55934227656058 15.999 21 O 0.97645331525246 0.08383371432226 0.15659447262256 15.999 22 O 0.02354668474754 0.58383371432226 0.34340552737744 15.999 23 O 0.02354668474754 0.91616628567774 0.84340552737744 15.999 24 O 0.97645331525246 0.41616628567774 0.65659447262256 15.999 25 O 0.31288796425747 0.13532434233111 0.11307285614421 15.999 26 O 0.68711203574253 0.63532434233111 0.38692714385579 15.999 27 O 0.68711203574253 0.86467565766889 0.88692714385579 15.999 28 O 0.31288796425747 0.36467565766889 0.61307285614421 15.999 29 Na 0.79091483327928 0.52508071363013 0.79737046106500 22.990 30 Na 0.20908516672072 0.02508071363013 0.70262953893500 22.990 31 Na 0.20908516672072 0.47491928636987 0.20262953893500 22.990 32 Na 0.79091483327928 0.97491928636987 0.29737046106500 22.990 33 Al 0.23979710764074 0.00934397879648 0.25300304334814 26.982 34 Al 0.76020289235926 0.50934397879648 0.24699695665186 26.982 35 Al 0.76020289235926 0.99065602120352 0.74699695665186 26.982 36 Al 0.23979710764074 0.49065602120352 0.75300304334814 26.982 37 P 0.42699528565292 0.24566649245529 0.54788714726726 30.974 38 P 0.57300471434708 0.74566649245529 0.95211285273274 30.974 39 P 0.57300471434708 0.75433350754471 0.45211285273274 30.974 40 P 0.42699528565292 0.25433350754471 0.04788714726726 30.974 41 P 0.82921214911928 0.29279545753320 0.54561085433379 30.974 42 P 0.17078785088072 0.79279545753320 0.95438914566621 30.974 43 P 0.17078785088072 0.70720454246680 0.45438914566621 30.974 44 P 0.82921214911928 0.20720454246680 0.04561085433379 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.465971980692830 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701558609999999 0.000000000000000 c -3.460931634805839 0.000000000000000 8.675152877910994 Atomic positions (fractional): 1 O 0.40637638607308 0.30566404743352 0.37872331913290 15.999 > 1 2 O 0.90637638607308 0.30566404743352 0.37872331913290 15.999 > 1 3 O 0.09362361392692 0.80566404743352 0.12127668086710 15.999 > 3 4 O 0.59362361392692 0.80566404743352 0.12127668086710 15.999 > 3 5 O 0.09362361392692 0.69433595256648 0.62127668086710 15.999 > 5 6 O 0.59362361392692 0.69433595256648 0.62127668086710 15.999 > 5 7 O 0.40637638607308 0.19433595256648 0.87872331913290 15.999 > 7 8 O 0.90637638607308 0.19433595256648 0.87872331913290 15.999 > 7 9 O 0.15358945638794 0.20919968061891 0.37884726012765 15.999 > 9 10 O 0.65358945638794 0.20919968061891 0.37884726012765 15.999 > 9 11 O 0.34641054361206 0.70919968061891 0.12115273987235 15.999 > 11 12 O 0.84641054361206 0.70919968061891 0.12115273987235 15.999 > 11 13 O 0.34641054361206 0.79080031938109 0.62115273987235 15.999 > 13 14 O 0.84641054361206 0.79080031938109 0.62115273987235 15.999 > 13 15 O 0.15358945638794 0.29080031938109 0.87884726012765 15.999 > 15 16 O 0.65358945638794 0.29080031938109 0.87884726012765 15.999 > 15 17 O 0.42828461815744 0.10310015661397 0.60024325572031 15.999 > 17 18 O 0.92828461815744 0.10310015661397 0.60024325572031 15.999 > 17 19 O 0.07171538184256 0.60310015661397 0.89975674427969 15.999 > 19 20 O 0.57171538184256 0.60310015661397 0.89975674427969 15.999 > 19 21 O 0.07171538184256 0.89689984338603 0.39975674427969 15.999 > 21 22 O 0.57171538184256 0.89689984338603 0.39975674427969 15.999 > 21 23 O 0.42828461815744 0.39689984338603 0.10024325572031 15.999 > 23 24 O 0.92828461815744 0.39689984338603 0.10024325572031 15.999 > 23 25 O 0.25007204833744 0.08148127163009 0.64471136209281 15.999 > 25 26 O 0.75007204833744 0.08148127163009 0.64471136209281 15.999 > 25 27 O 0.24992795166257 0.58148127163009 0.85528863790719 15.999 > 27 28 O 0.74992795166256 0.58148127163009 0.85528863790719 15.999 > 27 29 O 0.24992795166257 0.91851872836991 0.35528863790719 15.999 > 29 30 O 0.74992795166256 0.91851872836991 0.35528863790719 15.999 > 29 31 O 0.25007204833744 0.41851872836991 0.14471136209281 15.999 > 31 32 O 0.75007204833744 0.41851872836991 0.14471136209281 15.999 > 31 33 O 0.31116497100863 0.14417601116409 0.05934227656058 15.999 > 33 34 O 0.81116497100863 0.14417601116409 0.05934227656058 15.999 > 33 35 O 0.18883502899137 0.64417601116409 0.44065772343942 15.999 > 35 36 O 0.68883502899137 0.64417601116409 0.44065772343942 15.999 > 35 37 O 0.18883502899137 0.85582398883591 0.94065772343942 15.999 > 37 38 O 0.68883502899137 0.85582398883591 0.94065772343942 15.999 > 37 39 O 0.31116497100863 0.35582398883591 0.55934227656058 15.999 > 39 40 O 0.81116497100863 0.35582398883591 0.55934227656058 15.999 > 39 41 O 0.48822665762623 0.08383371432226 0.15659447262256 15.999 > 41 42 O 0.98822665762623 0.08383371432226 0.15659447262256 15.999 > 41 43 O 0.01177334237377 0.58383371432226 0.34340552737744 15.999 > 43 44 O 0.51177334237377 0.58383371432226 0.34340552737744 15.999 > 43 45 O 0.01177334237377 0.91616628567774 0.84340552737744 15.999 > 45 46 O 0.51177334237377 0.91616628567774 0.84340552737744 15.999 > 45 47 O 0.48822665762623 0.41616628567774 0.65659447262256 15.999 > 47 48 O 0.98822665762623 0.41616628567774 0.65659447262256 15.999 > 47 49 O 0.15644398212874 0.13532434233111 0.11307285614421 15.999 > 49 50 O 0.65644398212874 0.13532434233111 0.11307285614421 15.999 > 49 51 O 0.34355601787126 0.63532434233111 0.38692714385579 15.999 > 51 52 O 0.84355601787126 0.63532434233111 0.38692714385579 15.999 > 51 53 O 0.34355601787126 0.86467565766889 0.88692714385579 15.999 > 53 54 O 0.84355601787126 0.86467565766889 0.88692714385579 15.999 > 53 55 O 0.15644398212874 0.36467565766889 0.61307285614421 15.999 > 55 56 O 0.65644398212874 0.36467565766889 0.61307285614421 15.999 > 55 57 Na 0.39545741663964 0.52508071363013 0.79737046106500 22.990 > 57 58 Na 0.89545741663964 0.52508071363013 0.79737046106500 22.990 > 57 59 Na 0.10454258336036 0.02508071363013 0.70262953893500 22.990 > 59 60 Na 0.60454258336036 0.02508071363013 0.70262953893500 22.990 > 59 61 Na 0.10454258336036 0.47491928636987 0.20262953893500 22.990 > 61 62 Na 0.60454258336036 0.47491928636987 0.20262953893500 22.990 > 61 63 Na 0.39545741663964 0.97491928636987 0.29737046106500 22.990 > 63 64 Na 0.89545741663964 0.97491928636987 0.29737046106500 22.990 > 63 65 Al 0.11989855382037 0.00934397879648 0.25300304334814 26.982 > 65 66 Al 0.61989855382037 0.00934397879648 0.25300304334814 26.982 > 65 67 Al 0.38010144617963 0.50934397879648 0.24699695665186 26.982 > 67 68 Al 0.88010144617963 0.50934397879648 0.24699695665186 26.982 > 67 69 Al 0.38010144617963 0.99065602120352 0.74699695665186 26.982 > 69 70 Al 0.88010144617963 0.99065602120352 0.74699695665186 26.982 > 69 71 Al 0.11989855382037 0.49065602120352 0.75300304334814 26.982 > 71 72 Al 0.61989855382037 0.49065602120352 0.75300304334814 26.982 > 71 73 P 0.21349764282646 0.24566649245529 0.54788714726726 30.974 > 73 74 P 0.71349764282646 0.24566649245529 0.54788714726726 30.974 > 73 75 P 0.28650235717354 0.74566649245529 0.95211285273274 30.974 > 75 76 P 0.78650235717354 0.74566649245529 0.95211285273274 30.974 > 75 77 P 0.28650235717354 0.75433350754471 0.45211285273274 30.974 > 77 78 P 0.78650235717354 0.75433350754471 0.45211285273274 30.974 > 77 79 P 0.21349764282646 0.25433350754471 0.04788714726726 30.974 > 79 80 P 0.71349764282646 0.25433350754471 0.04788714726726 30.974 > 79 81 P 0.41460607455964 0.29279545753320 0.54561085433379 30.974 > 81 82 P 0.91460607455964 0.29279545753320 0.54561085433379 30.974 > 81 83 P 0.08539392544036 0.79279545753320 0.95438914566621 30.974 > 83 84 P 0.58539392544036 0.79279545753320 0.95438914566621 30.974 > 83 85 P 0.08539392544036 0.70720454246680 0.45438914566621 30.974 > 85 86 P 0.58539392544036 0.70720454246680 0.45438914566621 30.974 > 85 87 P 0.41460607455964 0.20720454246680 0.04561085433379 30.974 > 87 88 P 0.91460607455964 0.20720454246680 0.04561085433379 30.974 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6753226 0.0000000 -0.0035393 0.0000000 2.6614405 0.0000000 -0.0035387 0.0000000 2.6870266 -------------------------- Born effective charges -------------------------- 1 O -1.1347644 -0.1026113 0.3523147 -0.1378097 -1.3757950 0.2994362 0.2571972 0.3660727 -2.2041890 2 O -1.1347644 0.1026113 0.3523147 0.1378097 -1.3757950 -0.2994362 0.2571972 -0.3660727 -2.2041890 3 O -1.1347644 -0.1026113 0.3523147 -0.1378097 -1.3757950 0.2994362 0.2571972 0.3660727 -2.2041890 4 O -1.1347644 0.1026113 0.3523147 0.1378097 -1.3757950 -0.2994362 0.2571972 -0.3660727 -2.2041890 5 O -1.0740934 -0.0782558 -0.2332833 0.0010745 -1.4763968 -0.4347235 -0.1836081 -0.4335546 -2.1954456 6 O -1.0740934 0.0782558 -0.2332833 -0.0010745 -1.4763968 0.4347235 -0.1836081 0.4335546 -2.1954456 7 O -1.0740934 -0.0782558 -0.2332833 0.0010745 -1.4763968 -0.4347235 -0.1836081 -0.4335546 -2.1954456 8 O -1.0740934 0.0782558 -0.2332833 -0.0010745 -1.4763968 0.4347235 -0.1836081 0.4335546 -2.1954456 9 O -1.3259414 -0.1144877 0.1275011 -0.2033886 -1.9985470 0.5031490 0.1590299 0.4133053 -1.3901181 10 O -1.3259414 0.1144877 0.1275011 0.2033886 -1.9985470 -0.5031490 0.1590299 -0.4133053 -1.3901181 11 O -1.3259414 -0.1144877 0.1275011 -0.2033886 -1.9985470 0.5031490 0.1590299 0.4133053 -1.3901181 12 O -1.3259414 0.1144877 0.1275011 0.2033886 -1.9985470 -0.5031490 0.1590299 -0.4133053 -1.3901181 13 O -1.3211887 0.1577135 -0.1469738 0.2921032 -1.7842048 0.4880131 -0.2774409 0.4477994 -1.5405656 14 O -1.3211887 -0.1577135 -0.1469738 -0.2921032 -1.7842048 -0.4880131 -0.2774409 -0.4477994 -1.5405656 15 O -1.3211887 0.1577135 -0.1469738 0.2921032 -1.7842048 0.4880131 -0.2774409 0.4477994 -1.5405656 16 O -1.3211887 -0.1577135 -0.1469738 -0.2921032 -1.7842048 -0.4880131 -0.2774409 -0.4477994 -1.5405656 17 O -2.8973599 0.2231286 0.0092661 0.2995667 -1.2370358 0.0137062 0.0377209 -0.0324439 -0.9301328 18 O -2.8973599 -0.2231286 0.0092661 -0.2995667 -1.2370358 -0.0137062 0.0377209 0.0324439 -0.9301328 19 O -2.8973599 0.2231286 0.0092661 0.2995667 -1.2370358 0.0137062 0.0377209 -0.0324439 -0.9301328 20 O -2.8973599 -0.2231286 0.0092661 -0.2995667 -1.2370358 -0.0137062 0.0377209 0.0324439 -0.9301328 21 O -1.8687568 0.6157574 -0.6619845 0.4838142 -1.5106844 0.5055686 -0.4463298 0.4125062 -1.6213891 22 O -1.8687568 -0.6157574 -0.6619845 -0.4838142 -1.5106844 -0.5055686 -0.4463298 -0.4125062 -1.6213891 23 O -1.8687568 0.6157574 -0.6619845 0.4838142 -1.5106844 0.5055686 -0.4463298 0.4125062 -1.6213891 24 O -1.8687568 -0.6157574 -0.6619845 -0.4838142 -1.5106844 -0.5055686 -0.4463298 -0.4125062 -1.6213891 25 O -1.7963047 -0.6991407 0.5381605 -0.6457128 -1.6973919 0.4155878 0.4898272 0.3927506 -1.4551256 26 O -1.7963047 0.6991407 0.5381605 0.6457128 -1.6973919 -0.4155878 0.4898272 -0.3927506 -1.4551256 27 O -1.7963047 -0.6991407 0.5381605 -0.6457128 -1.6973919 0.4155878 0.4898272 0.3927506 -1.4551256 28 O -1.7963047 0.6991407 0.5381605 0.6457128 -1.6973919 -0.4155878 0.4898272 -0.3927506 -1.4551256 29 Na 1.1270591 -0.0111831 -0.0293038 -0.0156205 1.1777766 0.0301494 -0.0608603 -0.0646660 1.1395962 30 Na 1.1270591 0.0111831 -0.0293038 0.0156205 1.1777766 -0.0301494 -0.0608603 0.0646660 1.1395962 31 Na 1.1270591 -0.0111831 -0.0293038 -0.0156205 1.1777766 0.0301494 -0.0608603 -0.0646660 1.1395962 32 Na 1.1270591 0.0111831 -0.0293038 0.0156205 1.1777766 -0.0301494 -0.0608603 0.0646660 1.1395962 33 Al 3.1263887 0.0595956 -0.0727341 -0.0853290 3.2897951 -0.4973478 0.2068327 0.2842100 3.5779587 34 Al 3.1263887 -0.0595956 -0.0727341 0.0853290 3.2897951 0.4973478 0.2068327 -0.2842100 3.5779587 35 Al 3.1263887 0.0595956 -0.0727341 -0.0853290 3.2897951 -0.4973478 0.2068327 0.2842100 3.5779587 36 Al 3.1263887 -0.0595956 -0.0727341 0.0853290 3.2897951 0.4973478 0.2068327 -0.2842100 3.5779587 37 P 3.5461555 -0.0394513 0.0623392 -0.3169414 3.3553229 0.2700019 -0.0782188 0.0565184 3.2875376 38 P 3.5461555 0.0394513 0.0623392 0.3169414 3.3553229 -0.2700019 -0.0782188 -0.0565184 3.2875376 39 P 3.5461555 -0.0394513 0.0623392 -0.3169414 3.3553229 0.2700019 -0.0782188 0.0565184 3.2875376 40 P 3.5461555 0.0394513 0.0623392 0.3169414 3.3553229 -0.2700019 -0.0782188 -0.0565184 3.2875376 41 P 3.6188059 0.2453206 0.0546979 0.4499271 3.2571611 -0.2391117 -0.1041501 -0.1579934 3.3318734 42 P 3.6188059 -0.2453206 0.0546979 -0.4499271 3.2571611 0.2391117 -0.1041501 0.1579934 3.3318734 43 P 3.6188059 0.2453206 0.0546979 0.4499271 3.2571611 -0.2391117 -0.1041501 -0.1579934 3.3318734 44 P 3.6188059 -0.2453206 0.0546979 -0.4499271 3.2571611 0.2391117 -0.1041501 0.1579934 3.3318734 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:24:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:24:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.232985990346415 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701558609999999 0.000000000000000 c -3.460931634805839 0.000000000000000 8.675152877910994 Atomic positions (fractional): 1 O 0.81275277214616 0.30566404743352 0.37872331913290 15.999 2 O 0.18724722785384 0.80566404743352 0.12127668086710 15.999 3 O 0.18724722785384 0.69433595256648 0.62127668086710 15.999 4 O 0.81275277214616 0.19433595256648 0.87872331913290 15.999 5 O 0.30717891277588 0.20919968061891 0.37884726012765 15.999 6 O 0.69282108722411 0.70919968061891 0.12115273987235 15.999 7 O 0.69282108722411 0.79080031938109 0.62115273987235 15.999 8 O 0.30717891277588 0.29080031938109 0.87884726012765 15.999 9 O 0.85656923631488 0.10310015661397 0.60024325572031 15.999 10 O 0.14343076368512 0.60310015661397 0.89975674427969 15.999 11 O 0.14343076368512 0.89689984338603 0.39975674427969 15.999 12 O 0.85656923631488 0.39689984338603 0.10024325572031 15.999 13 O 0.50014409667487 0.08148127163009 0.64471136209281 15.999 14 O 0.49985590332513 0.58148127163009 0.85528863790719 15.999 15 O 0.49985590332513 0.91851872836991 0.35528863790719 15.999 16 O 0.50014409667487 0.41851872836991 0.14471136209281 15.999 17 O 0.62232994201726 0.14417601116409 0.05934227656058 15.999 18 O 0.37767005798274 0.64417601116409 0.44065772343942 15.999 19 O 0.37767005798274 0.85582398883591 0.94065772343942 15.999 20 O 0.62232994201726 0.35582398883591 0.55934227656058 15.999 21 O 0.97645331525246 0.08383371432226 0.15659447262256 15.999 22 O 0.02354668474754 0.58383371432226 0.34340552737744 15.999 23 O 0.02354668474754 0.91616628567774 0.84340552737744 15.999 24 O 0.97645331525246 0.41616628567774 0.65659447262256 15.999 25 O 0.31288796425747 0.13532434233111 0.11307285614421 15.999 26 O 0.68711203574253 0.63532434233111 0.38692714385579 15.999 27 O 0.68711203574253 0.86467565766889 0.88692714385579 15.999 28 O 0.31288796425747 0.36467565766889 0.61307285614421 15.999 29 Na 0.79091483327928 0.52508071363013 0.79737046106500 22.990 30 Na 0.20908516672072 0.02508071363013 0.70262953893500 22.990 31 Na 0.20908516672072 0.47491928636987 0.20262953893500 22.990 32 Na 0.79091483327928 0.97491928636987 0.29737046106500 22.990 33 Al 0.23979710764074 0.00934397879648 0.25300304334814 26.982 34 Al 0.76020289235926 0.50934397879648 0.24699695665186 26.982 35 Al 0.76020289235926 0.99065602120352 0.74699695665186 26.982 36 Al 0.23979710764074 0.49065602120352 0.75300304334814 26.982 37 P 0.42699528565292 0.24566649245529 0.54788714726726 30.974 38 P 0.57300471434708 0.74566649245529 0.95211285273274 30.974 39 P 0.57300471434708 0.75433350754471 0.45211285273274 30.974 40 P 0.42699528565292 0.25433350754471 0.04788714726726 30.974 41 P 0.82921214911928 0.29279545753320 0.54561085433379 30.974 42 P 0.17078785088072 0.79279545753320 0.95438914566621 30.974 43 P 0.17078785088072 0.70720454246680 0.45438914566621 30.974 44 P 0.82921214911928 0.20720454246680 0.04561085433379 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.465971980692830 0.000000000000000 0.000000000000000 b 0.000000000000000 7.701558609999999 0.000000000000000 c -3.460931634805839 0.000000000000000 8.675152877910994 Atomic positions (fractional): 1 O 0.40637638607308 0.30566404743352 0.37872331913290 15.999 > 1 2 O 0.90637638607308 0.30566404743352 0.37872331913290 15.999 > 1 3 O 0.09362361392692 0.80566404743352 0.12127668086710 15.999 > 3 4 O 0.59362361392692 0.80566404743352 0.12127668086710 15.999 > 3 5 O 0.09362361392692 0.69433595256648 0.62127668086710 15.999 > 5 6 O 0.59362361392692 0.69433595256648 0.62127668086710 15.999 > 5 7 O 0.40637638607308 0.19433595256648 0.87872331913290 15.999 > 7 8 O 0.90637638607308 0.19433595256648 0.87872331913290 15.999 > 7 9 O 0.15358945638794 0.20919968061891 0.37884726012765 15.999 > 9 10 O 0.65358945638794 0.20919968061891 0.37884726012765 15.999 > 9 11 O 0.34641054361206 0.70919968061891 0.12115273987235 15.999 > 11 12 O 0.84641054361206 0.70919968061891 0.12115273987235 15.999 > 11 13 O 0.34641054361206 0.79080031938109 0.62115273987235 15.999 > 13 14 O 0.84641054361206 0.79080031938109 0.62115273987235 15.999 > 13 15 O 0.15358945638794 0.29080031938109 0.87884726012765 15.999 > 15 16 O 0.65358945638794 0.29080031938109 0.87884726012765 15.999 > 15 17 O 0.42828461815744 0.10310015661397 0.60024325572031 15.999 > 17 18 O 0.92828461815744 0.10310015661397 0.60024325572031 15.999 > 17 19 O 0.07171538184256 0.60310015661397 0.89975674427969 15.999 > 19 20 O 0.57171538184256 0.60310015661397 0.89975674427969 15.999 > 19 21 O 0.07171538184256 0.89689984338603 0.39975674427969 15.999 > 21 22 O 0.57171538184256 0.89689984338603 0.39975674427969 15.999 > 21 23 O 0.42828461815744 0.39689984338603 0.10024325572031 15.999 > 23 24 O 0.92828461815744 0.39689984338603 0.10024325572031 15.999 > 23 25 O 0.25007204833744 0.08148127163009 0.64471136209281 15.999 > 25 26 O 0.75007204833744 0.08148127163009 0.64471136209281 15.999 > 25 27 O 0.24992795166257 0.58148127163009 0.85528863790719 15.999 > 27 28 O 0.74992795166256 0.58148127163009 0.85528863790719 15.999 > 27 29 O 0.24992795166257 0.91851872836991 0.35528863790719 15.999 > 29 30 O 0.74992795166256 0.91851872836991 0.35528863790719 15.999 > 29 31 O 0.25007204833744 0.41851872836991 0.14471136209281 15.999 > 31 32 O 0.75007204833744 0.41851872836991 0.14471136209281 15.999 > 31 33 O 0.31116497100863 0.14417601116409 0.05934227656058 15.999 > 33 34 O 0.81116497100863 0.14417601116409 0.05934227656058 15.999 > 33 35 O 0.18883502899137 0.64417601116409 0.44065772343942 15.999 > 35 36 O 0.68883502899137 0.64417601116409 0.44065772343942 15.999 > 35 37 O 0.18883502899137 0.85582398883591 0.94065772343942 15.999 > 37 38 O 0.68883502899137 0.85582398883591 0.94065772343942 15.999 > 37 39 O 0.31116497100863 0.35582398883591 0.55934227656058 15.999 > 39 40 O 0.81116497100863 0.35582398883591 0.55934227656058 15.999 > 39 41 O 0.48822665762623 0.08383371432226 0.15659447262256 15.999 > 41 42 O 0.98822665762623 0.08383371432226 0.15659447262256 15.999 > 41 43 O 0.01177334237377 0.58383371432226 0.34340552737744 15.999 > 43 44 O 0.51177334237377 0.58383371432226 0.34340552737744 15.999 > 43 45 O 0.01177334237377 0.91616628567774 0.84340552737744 15.999 > 45 46 O 0.51177334237377 0.91616628567774 0.84340552737744 15.999 > 45 47 O 0.48822665762623 0.41616628567774 0.65659447262256 15.999 > 47 48 O 0.98822665762623 0.41616628567774 0.65659447262256 15.999 > 47 49 O 0.15644398212874 0.13532434233111 0.11307285614421 15.999 > 49 50 O 0.65644398212874 0.13532434233111 0.11307285614421 15.999 > 49 51 O 0.34355601787126 0.63532434233111 0.38692714385579 15.999 > 51 52 O 0.84355601787126 0.63532434233111 0.38692714385579 15.999 > 51 53 O 0.34355601787126 0.86467565766889 0.88692714385579 15.999 > 53 54 O 0.84355601787126 0.86467565766889 0.88692714385579 15.999 > 53 55 O 0.15644398212874 0.36467565766889 0.61307285614421 15.999 > 55 56 O 0.65644398212874 0.36467565766889 0.61307285614421 15.999 > 55 57 Na 0.39545741663964 0.52508071363013 0.79737046106500 22.990 > 57 58 Na 0.89545741663964 0.52508071363013 0.79737046106500 22.990 > 57 59 Na 0.10454258336036 0.02508071363013 0.70262953893500 22.990 > 59 60 Na 0.60454258336036 0.02508071363013 0.70262953893500 22.990 > 59 61 Na 0.10454258336036 0.47491928636987 0.20262953893500 22.990 > 61 62 Na 0.60454258336036 0.47491928636987 0.20262953893500 22.990 > 61 63 Na 0.39545741663964 0.97491928636987 0.29737046106500 22.990 > 63 64 Na 0.89545741663964 0.97491928636987 0.29737046106500 22.990 > 63 65 Al 0.11989855382037 0.00934397879648 0.25300304334814 26.982 > 65 66 Al 0.61989855382037 0.00934397879648 0.25300304334814 26.982 > 65 67 Al 0.38010144617963 0.50934397879648 0.24699695665186 26.982 > 67 68 Al 0.88010144617963 0.50934397879648 0.24699695665186 26.982 > 67 69 Al 0.38010144617963 0.99065602120352 0.74699695665186 26.982 > 69 70 Al 0.88010144617963 0.99065602120352 0.74699695665186 26.982 > 69 71 Al 0.11989855382037 0.49065602120352 0.75300304334814 26.982 > 71 72 Al 0.61989855382037 0.49065602120352 0.75300304334814 26.982 > 71 73 P 0.21349764282646 0.24566649245529 0.54788714726726 30.974 > 73 74 P 0.71349764282646 0.24566649245529 0.54788714726726 30.974 > 73 75 P 0.28650235717354 0.74566649245529 0.95211285273274 30.974 > 75 76 P 0.78650235717354 0.74566649245529 0.95211285273274 30.974 > 75 77 P 0.28650235717354 0.75433350754471 0.45211285273274 30.974 > 77 78 P 0.78650235717354 0.75433350754471 0.45211285273274 30.974 > 77 79 P 0.21349764282646 0.25433350754471 0.04788714726726 30.974 > 79 80 P 0.71349764282646 0.25433350754471 0.04788714726726 30.974 > 79 81 P 0.41460607455964 0.29279545753320 0.54561085433379 30.974 > 81 82 P 0.91460607455964 0.29279545753320 0.54561085433379 30.974 > 81 83 P 0.08539392544036 0.79279545753320 0.95438914566621 30.974 > 83 84 P 0.58539392544036 0.79279545753320 0.95438914566621 30.974 > 83 85 P 0.08539392544036 0.70720454246680 0.45438914566621 30.974 > 85 86 P 0.58539392544036 0.70720454246680 0.45438914566621 30.974 > 85 87 P 0.41460607455964 0.20720454246680 0.04561085433379 30.974 > 87 88 P 0.91460607455964 0.20720454246680 0.04561085433379 30.974 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6753226 0.0000000 -0.0035393 0.0000000 2.6614405 0.0000000 -0.0035387 0.0000000 2.6870266 -------------------------- Born effective charges -------------------------- 1 O -1.1347644 -0.1026113 0.3523147 -0.1378097 -1.3757950 0.2994362 0.2571972 0.3660727 -2.2041890 2 O -1.1347644 0.1026113 0.3523147 0.1378097 -1.3757950 -0.2994362 0.2571972 -0.3660727 -2.2041890 3 O -1.1347644 -0.1026113 0.3523147 -0.1378097 -1.3757950 0.2994362 0.2571972 0.3660727 -2.2041890 4 O -1.1347644 0.1026113 0.3523147 0.1378097 -1.3757950 -0.2994362 0.2571972 -0.3660727 -2.2041890 5 O -1.0740934 -0.0782558 -0.2332833 0.0010745 -1.4763968 -0.4347235 -0.1836081 -0.4335546 -2.1954456 6 O -1.0740934 0.0782558 -0.2332833 -0.0010745 -1.4763968 0.4347235 -0.1836081 0.4335546 -2.1954456 7 O -1.0740934 -0.0782558 -0.2332833 0.0010745 -1.4763968 -0.4347235 -0.1836081 -0.4335546 -2.1954456 8 O -1.0740934 0.0782558 -0.2332833 -0.0010745 -1.4763968 0.4347235 -0.1836081 0.4335546 -2.1954456 9 O -1.3259414 -0.1144877 0.1275011 -0.2033886 -1.9985470 0.5031490 0.1590299 0.4133053 -1.3901181 10 O -1.3259414 0.1144877 0.1275011 0.2033886 -1.9985470 -0.5031490 0.1590299 -0.4133053 -1.3901181 11 O -1.3259414 -0.1144877 0.1275011 -0.2033886 -1.9985470 0.5031490 0.1590299 0.4133053 -1.3901181 12 O -1.3259414 0.1144877 0.1275011 0.2033886 -1.9985470 -0.5031490 0.1590299 -0.4133053 -1.3901181 13 O -1.3211887 0.1577135 -0.1469738 0.2921032 -1.7842048 0.4880131 -0.2774409 0.4477994 -1.5405656 14 O -1.3211887 -0.1577135 -0.1469738 -0.2921032 -1.7842048 -0.4880131 -0.2774409 -0.4477994 -1.5405656 15 O -1.3211887 0.1577135 -0.1469738 0.2921032 -1.7842048 0.4880131 -0.2774409 0.4477994 -1.5405656 16 O -1.3211887 -0.1577135 -0.1469738 -0.2921032 -1.7842048 -0.4880131 -0.2774409 -0.4477994 -1.5405656 17 O -2.8973599 0.2231286 0.0092661 0.2995667 -1.2370358 0.0137062 0.0377209 -0.0324439 -0.9301328 18 O -2.8973599 -0.2231286 0.0092661 -0.2995667 -1.2370358 -0.0137062 0.0377209 0.0324439 -0.9301328 19 O -2.8973599 0.2231286 0.0092661 0.2995667 -1.2370358 0.0137062 0.0377209 -0.0324439 -0.9301328 20 O -2.8973599 -0.2231286 0.0092661 -0.2995667 -1.2370358 -0.0137062 0.0377209 0.0324439 -0.9301328 21 O -1.8687568 0.6157574 -0.6619845 0.4838142 -1.5106844 0.5055686 -0.4463298 0.4125062 -1.6213891 22 O -1.8687568 -0.6157574 -0.6619845 -0.4838142 -1.5106844 -0.5055686 -0.4463298 -0.4125062 -1.6213891 23 O -1.8687568 0.6157574 -0.6619845 0.4838142 -1.5106844 0.5055686 -0.4463298 0.4125062 -1.6213891 24 O -1.8687568 -0.6157574 -0.6619845 -0.4838142 -1.5106844 -0.5055686 -0.4463298 -0.4125062 -1.6213891 25 O -1.7963047 -0.6991407 0.5381605 -0.6457128 -1.6973919 0.4155878 0.4898272 0.3927506 -1.4551256 26 O -1.7963047 0.6991407 0.5381605 0.6457128 -1.6973919 -0.4155878 0.4898272 -0.3927506 -1.4551256 27 O -1.7963047 -0.6991407 0.5381605 -0.6457128 -1.6973919 0.4155878 0.4898272 0.3927506 -1.4551256 28 O -1.7963047 0.6991407 0.5381605 0.6457128 -1.6973919 -0.4155878 0.4898272 -0.3927506 -1.4551256 29 Na 1.1270591 -0.0111831 -0.0293038 -0.0156205 1.1777766 0.0301494 -0.0608603 -0.0646660 1.1395962 30 Na 1.1270591 0.0111831 -0.0293038 0.0156205 1.1777766 -0.0301494 -0.0608603 0.0646660 1.1395962 31 Na 1.1270591 -0.0111831 -0.0293038 -0.0156205 1.1777766 0.0301494 -0.0608603 -0.0646660 1.1395962 32 Na 1.1270591 0.0111831 -0.0293038 0.0156205 1.1777766 -0.0301494 -0.0608603 0.0646660 1.1395962 33 Al 3.1263887 0.0595956 -0.0727341 -0.0853290 3.2897951 -0.4973478 0.2068327 0.2842100 3.5779587 34 Al 3.1263887 -0.0595956 -0.0727341 0.0853290 3.2897951 0.4973478 0.2068327 -0.2842100 3.5779587 35 Al 3.1263887 0.0595956 -0.0727341 -0.0853290 3.2897951 -0.4973478 0.2068327 0.2842100 3.5779587 36 Al 3.1263887 -0.0595956 -0.0727341 0.0853290 3.2897951 0.4973478 0.2068327 -0.2842100 3.5779587 37 P 3.5461555 -0.0394513 0.0623392 -0.3169414 3.3553229 0.2700019 -0.0782188 0.0565184 3.2875376 38 P 3.5461555 0.0394513 0.0623392 0.3169414 3.3553229 -0.2700019 -0.0782188 -0.0565184 3.2875376 39 P 3.5461555 -0.0394513 0.0623392 -0.3169414 3.3553229 0.2700019 -0.0782188 0.0565184 3.2875376 40 P 3.5461555 0.0394513 0.0623392 0.3169414 3.3553229 -0.2700019 -0.0782188 -0.0565184 3.2875376 41 P 3.6188059 0.2453206 0.0546979 0.4499271 3.2571611 -0.2391117 -0.1041501 -0.1579934 3.3318734 42 P 3.6188059 -0.2453206 0.0546979 -0.4499271 3.2571611 0.2391117 -0.1041501 0.1579934 3.3318734 43 P 3.6188059 0.2453206 0.0546979 0.4499271 3.2571611 -0.2391117 -0.1041501 -0.1579934 3.3318734 44 P 3.6188059 -0.2453206 0.0546979 -0.4499271 3.2571611 0.2391117 -0.1041501 0.1579934 3.3318734 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 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: 0.53, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 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 2.611 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.698 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.253 ( 0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.364 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.562 ( 0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 9.102 ( 0.000 0.000 0.000) 0.000 9.529 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 10.040 ( 0.000 0.000 0.000) 0.000 10.383 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.757 ( 0.000 0.000 0.000) 0.000 10.785 ( 0.000 0.000 0.000) 0.000 10.948 ( 0.000 0.000 0.000) 0.000 10.958 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.243 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 0.000 0.000) 0.000 11.878 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 11.933 ( 0.000 0.000 0.000) 0.000 12.155 ( 0.000 0.000 0.000) 0.000 12.503 ( 0.000 0.000 0.000) 0.000 12.590 ( 0.000 0.000 0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 13.312 ( 0.000 0.000 0.000) 0.000 13.383 ( 0.000 0.000 0.000) 0.000 13.574 ( 0.000 0.000 0.000) 0.000 13.610 ( 0.000 0.000 0.000) 0.000 14.286 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 0.000) 0.000 14.602 ( 0.000 0.000 0.000) 0.000 14.669 ( 0.000 0.000 0.000) 0.000 15.059 ( 0.000 0.000 0.000) 0.000 15.176 ( 0.000 0.000 0.000) 0.000 15.253 ( 0.000 0.000 0.000) 0.000 15.444 ( 0.000 0.000 0.000) 0.000 15.575 ( 0.000 0.000 0.000) 0.000 16.258 ( 0.000 0.000 0.000) 0.000 16.366 ( 0.000 0.000 0.000) 0.000 16.523 ( 0.000 0.000 0.000) 0.000 16.617 ( 0.000 0.000 0.000) 0.000 16.689 ( 0.000 0.000 0.000) 0.000 16.963 ( 0.000 0.000 0.000) 0.000 17.254 ( 0.000 0.000 0.000) 0.000 17.284 ( 0.000 0.000 0.000) 0.000 17.285 ( 0.000 0.000 0.000) 0.000 17.850 ( 0.000 0.000 0.000) 0.000 17.906 ( 0.000 0.000 0.000) 0.000 18.458 ( 0.000 0.000 0.000) 0.000 18.563 ( 0.000 0.000 0.000) 0.000 18.650 ( 0.000 0.000 0.000) 0.000 18.710 ( 0.000 0.000 0.000) 0.000 19.185 ( 0.000 0.000 0.000) 0.000 21.599 ( 0.000 0.000 0.000) 0.000 21.964 ( 0.000 0.000 0.000) 0.000 22.261 ( 0.000 0.000 0.000) 0.000 22.677 ( 0.000 0.000 0.000) 0.000 27.246 ( 0.000 0.000 0.000) 0.000 27.293 ( 0.000 0.000 0.000) 0.000 27.823 ( 0.000 0.000 0.000) 0.000 27.916 ( 0.000 0.000 0.000) 0.000 29.800 ( 0.000 0.000 0.000) 0.000 29.937 ( 0.000 0.000 0.000) 0.000 29.966 ( 0.000 0.000 0.000) 0.000 30.160 ( 0.000 0.000 0.000) 0.000 30.722 ( 0.000 0.000 0.000) 0.000 31.021 ( 0.000 0.000 0.000) 0.000 31.616 ( 0.000 0.000 0.000) 0.000 31.759 ( 0.000 0.000 0.000) 0.000 32.060 ( 0.000 0.000 0.000) 0.000 32.201 ( 0.000 0.000 0.000) 0.000 32.225 ( 0.000 0.000 0.000) 0.000 32.494 ( 0.000 0.000 0.000) 0.000 32.644 ( 0.000 0.000 0.000) 0.000 33.341 ( 0.000 0.000 0.000) 0.000 33.465 ( 0.000 0.000 0.000) 0.000 33.590 ( 0.000 0.000 0.000) 0.000 33.874 ( 0.000 0.000 0.000) 0.000 34.276 ( 0.000 0.000 0.000) 0.000 34.482 ( 0.000 0.000 0.000) 0.000 34.488 ( 0.000 0.000 0.000) 0.000 35.017 ( 0.000 0.000 0.000) 0.000 36.233 ( 0.000 0.000 0.000) 0.000 37.150 ( 0.000 0.000 0.000) 0.000 37.182 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 39.183 0.000 20.273) 44.117 0.988 ( 37.634 0.000 27.863) 46.826 1.602 ( 68.672 0.000 22.348) 72.217 2.589 ( -0.611 0.000 -2.725) 2.792 2.637 ( -3.431 0.000 2.292) 4.126 2.746 ( 0.263 0.000 4.149) 4.158 2.751 ( -0.449 0.000 4.139) 4.163 3.282 ( 2.756 0.000 6.839) 7.374 3.293 ( -7.530 0.000 4.005) 8.529 3.368 ( 1.067 0.000 -5.427) 5.530 3.881 ( 24.032 0.000 10.830) 26.359 4.069 ( 13.393 0.000 -9.839) 16.618 4.135 ( 3.490 0.000 -1.814) 3.933 4.312 ( -12.052 0.000 1.677) 12.168 4.595 ( 0.642 0.000 3.371) 3.432 4.702 ( -2.532 0.000 1.608) 2.999 4.936 ( -7.853 0.000 0.482) 7.868 5.047 ( 10.581 0.000 -3.857) 11.263 5.157 ( -6.668 0.000 6.911) 9.604 5.265 ( 3.071 0.000 3.009) 4.299 5.270 ( 2.658 0.000 -8.488) 8.895 5.333 ( 6.553 0.000 -8.597) 10.810 5.430 ( -3.133 0.000 -0.973) 3.280 5.606 ( -3.479 0.000 1.748) 3.893 5.623 ( 13.817 0.000 -0.450) 13.824 5.862 ( 1.795 0.000 8.136) 8.331 5.965 ( -8.570 0.000 -4.311) 9.594 6.351 ( 10.075 0.000 -0.229) 10.078 6.383 ( -11.379 0.000 9.237) 14.656 6.548 ( -4.225 0.000 -8.477) 9.471 6.592 ( 0.148 0.000 -7.429) 7.431 6.661 ( 3.187 0.000 -9.570) 10.086 7.049 ( 6.128 0.000 0.110) 6.129 7.085 ( -2.170 0.000 4.451) 4.952 7.145 ( -1.818 0.000 -16.399) 16.499 7.286 ( 4.767 0.000 3.820) 6.109 7.463 ( -14.937 0.000 14.549) 20.852 7.705 ( 0.407 0.000 -13.547) 13.553 7.786 ( 4.489 0.000 -6.526) 7.921 7.965 ( 4.535 0.000 -1.360) 4.735 8.242 ( -1.588 0.000 -7.155) 7.329 8.326 ( -0.771 0.000 -5.062) 5.120 8.336 ( -3.490 0.000 -2.006) 4.026 8.483 ( 5.139 0.000 -6.887) 8.594 8.566 ( -0.804 0.000 5.376) 5.436 8.948 ( 7.928 0.000 1.538) 8.076 8.983 ( 2.194 0.000 5.683) 6.092 9.078 ( -5.462 0.000 9.582) 11.029 9.490 ( -4.947 0.000 3.120) 5.849 9.520 ( -2.329 0.000 1.635) 2.845 9.536 ( -2.779 0.000 -4.238) 5.068 9.858 ( -2.518 0.000 -7.145) 7.575 10.158 ( 3.489 0.000 1.497) 3.796 10.330 ( -5.896 0.000 1.193) 6.016 10.438 ( -9.687 0.000 -4.520) 10.690 10.735 ( -0.589 0.000 -0.731) 0.939 10.749 ( -5.510 0.000 17.503) 18.350 10.793 ( 1.744 0.000 -1.829) 2.527 10.887 ( -2.294 0.000 -9.067) 9.353 11.047 ( 9.319 0.000 -5.043) 10.596 11.200 ( 0.850 0.000 -6.583) 6.638 11.283 ( 4.698 0.000 -5.605) 7.313 11.587 ( -13.049 0.000 5.236) 14.060 11.856 ( -7.007 0.000 3.488) 7.827 12.067 ( -3.630 0.000 25.213) 25.473 12.147 ( -3.355 0.000 24.898) 25.123 12.158 ( -1.032 0.000 2.036) 2.282 12.371 ( -11.432 0.000 4.946) 12.456 12.696 ( 5.308 0.000 2.696) 5.953 12.974 ( 4.730 0.000 12.570) 13.431 13.336 ( -2.789 0.000 -2.907) 4.028 13.365 ( -15.786 0.000 8.294) 17.832 13.564 ( 0.348 0.000 -3.804) 3.820 13.623 ( -2.292 0.000 1.968) 3.021 14.270 ( -0.821 0.000 -8.577) 8.616 14.338 ( 2.158 0.000 0.591) 2.237 14.363 ( -15.133 0.000 2.645) 15.362 14.491 ( -3.021 0.000 -3.179) 4.386 14.847 ( 9.927 0.000 -3.954) 10.685 15.216 ( -3.948 0.000 -0.835) 4.036 15.257 ( 6.475 0.000 1.355) 6.615 15.506 ( 6.494 0.000 -2.838) 7.087 15.606 ( 5.292 0.000 -1.997) 5.656 15.939 ( -10.344 0.000 -6.695) 12.322 16.095 ( 0.488 0.000 3.991) 4.021 16.633 ( 0.709 0.000 -4.689) 4.742 16.675 ( 3.992 0.000 14.529) 15.068 16.753 ( 17.212 0.000 3.280) 17.522 16.926 ( -1.748 0.000 -3.807) 4.190 17.017 ( 3.178 0.000 -10.468) 10.940 17.279 ( -0.021 0.000 -0.678) 0.678 17.321 ( 4.072 0.000 0.348) 4.087 17.463 ( 14.754 0.000 10.038) 17.845 17.809 ( -3.794 0.000 0.452) 3.820 17.923 ( 1.620 0.000 0.048) 1.620 18.404 ( -10.699 0.000 -2.253) 10.934 18.479 ( -1.673 0.000 3.666) 4.030 18.948 ( 12.740 0.000 1.244) 12.801 19.099 ( -6.280 0.000 -5.361) 8.257 19.477 ( 5.285 0.000 -26.823) 27.339 21.577 ( -2.445 0.000 0.809) 2.576 21.927 ( -6.351 0.000 -3.931) 7.469 22.244 ( -1.026 0.000 -1.965) 2.217 22.601 ( -7.013 0.000 -0.412) 7.025 27.325 ( 3.173 0.000 -0.274) 3.184 27.897 ( 6.126 0.000 1.894) 6.412 27.917 ( 2.607 0.000 -6.830) 7.310 29.071 ( 27.396 0.000 -70.205) 75.361 29.823 ( 1.734 0.000 1.298) 2.166 29.938 ( -0.692 0.000 -2.537) 2.629 30.175 ( 1.996 0.000 -1.888) 2.748 30.192 ( 11.451 0.000 -12.404) 16.881 30.729 ( 0.588 0.000 0.129) 0.602 31.053 ( -0.269 0.000 -2.288) 2.304 31.605 ( -1.064 0.000 -0.115) 1.071 31.741 ( -2.201 0.000 1.318) 2.565 32.061 ( -0.498 0.000 1.388) 1.474 32.199 ( 2.518 0.000 -7.921) 8.312 32.244 ( 2.841 0.000 -2.667) 3.896 32.538 ( 2.458 0.000 4.307) 4.959 32.718 ( 3.760 0.000 8.363) 9.169 33.432 ( -2.398 0.000 -1.482) 2.819 33.653 ( 3.713 0.000 5.323) 6.490 33.732 ( -17.613 0.000 35.093) 39.265 33.901 ( -1.582 0.000 9.075) 9.212 34.297 ( 2.401 0.000 -1.050) 2.621 34.492 ( 1.192 0.000 -0.498) 1.292 34.982 ( -2.707 0.000 -1.711) 3.203 35.869 ( -19.928 0.000 50.269) 54.075 36.364 ( 10.316 0.000 -24.979) 27.026 36.994 ( -8.294 0.000 -5.060) 9.716 37.249 ( -0.429 0.000 5.580) 5.597 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 34.824 0.000 17.377) 38.918 1.884 ( 30.635 0.000 23.740) 38.757 2.561 ( 0.296 0.000 -2.975) 2.990 2.578 ( -0.836 0.000 -1.120) 1.398 2.762 ( 1.473 0.000 1.541) 2.131 2.781 ( 0.019 0.000 3.742) 3.742 2.924 ( 32.374 0.000 20.326) 38.226 3.208 ( -5.151 0.000 2.832) 5.878 3.233 ( 4.150 0.000 -1.662) 4.470 3.588 ( 17.213 0.000 -1.643) 17.291 3.778 ( -14.018 0.000 -2.663) 14.269 4.202 ( 0.607 0.000 7.331) 7.356 4.367 ( 13.071 0.000 11.264) 17.255 4.437 ( -9.870 0.000 -10.773) 14.611 4.592 ( -4.708 0.000 -3.903) 6.115 4.770 ( 22.159 0.000 -1.939) 22.244 4.881 ( 3.170 0.000 5.117) 6.020 5.071 ( -5.009 0.000 2.726) 5.703 5.151 ( -0.838 0.000 1.459) 1.683 5.238 ( 2.995 0.000 -12.916) 13.259 5.344 ( 9.194 0.000 -1.052) 9.254 5.462 ( 10.088 0.000 -1.591) 10.212 5.464 ( 8.485 0.000 -2.352) 8.805 5.654 ( 6.309 0.000 5.958) 8.677 5.693 ( -8.481 0.000 -5.356) 10.031 5.881 ( 5.982 0.000 -2.879) 6.638 5.917 ( -2.494 0.000 8.957) 9.298 6.205 ( -13.885 0.000 0.121) 13.886 6.394 ( -2.647 0.000 -8.693) 9.087 6.536 ( 8.893 0.000 -4.706) 10.061 6.578 ( 3.995 0.000 -0.654) 4.048 6.744 ( 9.444 0.000 -5.959) 11.167 6.902 ( -15.981 0.000 6.209) 17.145 6.980 ( -3.577 0.000 -5.973) 6.962 7.022 ( 1.362 0.000 -12.083) 12.160 7.389 ( -6.231 0.000 12.323) 13.809 7.581 ( 15.579 0.000 -0.170) 15.580 7.584 ( -1.925 0.000 -9.884) 10.069 7.790 ( 1.136 0.000 -3.545) 3.723 7.951 ( -3.331 0.000 -1.277) 3.568 8.105 ( -9.610 0.000 0.243) 9.613 8.209 ( -4.799 0.000 -8.530) 9.787 8.246 ( -1.135 0.000 -6.126) 6.230 8.612 ( 0.404 0.000 5.619) 5.634 8.616 ( 9.758 0.000 -3.130) 10.248 9.031 ( 0.977 0.000 -1.061) 1.443 9.071 ( 1.011 0.000 4.957) 5.059 9.161 ( 3.028 0.000 13.333) 13.673 9.367 ( -9.840 0.000 -4.683) 10.898 9.401 ( -5.881 0.000 2.562) 6.415 9.487 ( -2.238 0.000 3.927) 4.520 9.788 ( -0.602 0.000 -5.227) 5.262 10.148 ( -3.903 0.000 -2.571) 4.674 10.221 ( -5.045 0.000 2.973) 5.856 10.265 ( -4.475 0.000 0.277) 4.484 10.656 ( -5.418 0.000 -1.843) 5.723 10.746 ( -3.757 0.000 -9.907) 10.596 10.789 ( -4.680 0.000 15.922) 16.596 10.850 ( 5.384 0.000 -3.199) 6.262 11.159 ( -4.028 0.000 3.054) 5.055 11.176 ( 6.838 0.000 -3.599) 7.728 11.241 ( -5.549 0.000 -0.935) 5.627 11.473 ( 0.815 0.000 -3.433) 3.529 11.774 ( -3.509 0.000 2.727) 4.444 12.148 ( -4.862 0.000 6.280) 7.942 12.169 ( 1.434 0.000 10.063) 10.164 12.173 ( -10.170 0.000 6.274) 11.949 12.311 ( 2.732 0.000 11.712) 12.026 12.789 ( 1.699 0.000 1.454) 2.236 13.065 ( -8.230 0.000 0.373) 8.238 13.245 ( 0.837 0.000 18.154) 18.173 13.262 ( -2.008 0.000 -1.941) 2.793 13.530 ( 0.723 0.000 -6.833) 6.872 13.556 ( -4.102 0.000 0.276) 4.111 14.082 ( -4.675 0.000 -18.458) 19.041 14.095 ( -12.646 0.000 0.809) 12.672 14.313 ( -4.220 0.000 -1.772) 4.577 14.532 ( 6.069 0.000 1.344) 6.216 14.978 ( 5.632 0.000 -0.495) 5.654 15.092 ( -7.318 0.000 -1.527) 7.475 15.414 ( 9.229 0.000 -2.706) 9.618 15.606 ( 5.513 0.000 -3.650) 6.611 15.775 ( 1.904 0.000 -0.693) 2.026 15.807 ( 8.460 0.000 0.115) 8.461 16.173 ( 5.410 0.000 0.849) 5.476 16.565 ( -2.944 0.000 -2.836) 4.088 16.822 ( -3.605 0.000 -4.479) 5.749 16.884 ( 0.616 0.000 11.571) 11.587 16.983 ( 4.186 0.000 -3.149) 5.238 17.029 ( 5.170 0.000 -0.067) 5.170 17.278 ( 0.747 0.000 -1.159) 1.379 17.467 ( 8.720 0.000 1.269) 8.812 17.743 ( -2.542 0.000 1.560) 2.983 17.904 ( 18.722 0.000 11.383) 21.911 17.979 ( 4.167 0.000 1.294) 4.364 18.171 ( -10.007 0.000 -1.978) 10.200 18.503 ( -0.208 0.000 4.700) 4.704 18.873 ( -10.316 0.000 -8.531) 13.387 19.195 ( 10.824 0.000 1.136) 10.884 19.325 ( -3.951 0.000 -13.998) 14.545 21.524 ( -3.336 0.000 1.174) 3.537 21.749 ( -8.258 0.000 -1.536) 8.400 22.194 ( -2.020 0.000 -2.374) 3.117 22.432 ( -8.246 0.000 -1.153) 8.326 27.402 ( 4.179 0.000 0.265) 4.188 27.903 ( 2.154 0.000 -8.983) 9.237 28.055 ( 6.996 0.000 2.438) 7.409 29.056 ( 10.917 0.000 -29.488) 31.444 29.883 ( 2.736 0.000 2.208) 3.516 29.915 ( -0.406 0.000 -0.638) 0.757 30.196 ( 1.794 0.000 -2.993) 3.490 30.333 ( 7.895 0.000 -2.236) 8.206 30.745 ( 0.922 0.000 0.141) 0.933 31.026 ( -0.830 0.000 -1.375) 1.606 31.575 ( -1.630 0.000 -0.333) 1.664 31.704 ( -2.416 0.000 1.600) 2.897 32.060 ( -0.789 0.000 1.602) 1.786 32.189 ( 1.883 0.000 -5.308) 5.632 32.284 ( 3.119 0.000 -2.983) 4.316 32.644 ( 4.014 0.000 5.191) 6.562 32.902 ( 5.965 0.000 12.109) 13.499 33.354 ( -4.061 0.000 -1.371) 4.286 33.642 ( -7.576 0.000 5.443) 9.328 33.799 ( 5.453 0.000 6.878) 8.777 33.940 ( 0.053 0.000 4.482) 4.483 34.346 ( 3.131 0.000 -1.254) 3.373 34.517 ( 1.787 0.000 -1.166) 2.134 34.897 ( -3.913 0.000 -1.962) 4.377 35.871 ( -7.550 0.000 19.103) 20.541 36.372 ( 3.861 0.000 -8.576) 9.405 36.781 ( -8.969 0.000 -3.740) 9.718 37.251 ( -2.744 0.000 4.088) 4.923 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 8.184 0.000 10.513) 13.323 2.481 ( 8.040 0.000 11.521) 14.049 2.541 ( -0.809 0.000 -4.413) 4.487 2.588 ( 10.464 0.000 -5.616) 11.876 2.814 ( 2.423 0.000 0.448) 2.464 2.835 ( 3.479 0.000 2.888) 4.521 3.170 ( 8.692 0.000 8.781) 12.356 3.179 ( 0.376 0.000 9.097) 9.104 3.422 ( -2.307 0.000 -3.670) 4.335 3.517 ( -11.000 0.000 -2.976) 11.395 3.871 ( 4.106 0.000 -0.944) 4.213 4.023 ( -13.408 0.000 -11.816) 17.872 4.357 ( 5.707 0.000 4.845) 7.487 4.470 ( -1.703 0.000 2.583) 3.094 4.805 ( 14.003 0.000 6.476) 15.427 4.925 ( 8.121 0.000 -3.974) 9.041 5.052 ( 3.219 0.000 0.657) 3.285 5.056 ( -0.357 0.000 2.406) 2.432 5.204 ( 1.420 0.000 -5.873) 6.042 5.205 ( 6.761 0.000 6.987) 9.723 5.420 ( -3.682 0.000 -3.100) 4.813 5.519 ( -2.866 0.000 -3.634) 4.628 5.628 ( 7.093 0.000 0.800) 7.138 5.739 ( 9.184 0.000 6.847) 11.455 5.791 ( -1.429 0.000 2.393) 2.787 5.866 ( -1.943 0.000 -9.879) 10.069 5.919 ( -3.486 0.000 5.487) 6.500 5.970 ( 1.696 0.000 -9.624) 9.772 6.253 ( -10.010 0.000 -4.821) 11.110 6.628 ( 1.408 0.000 -0.662) 1.556 6.644 ( -2.126 0.000 4.950) 5.387 6.675 ( 4.942 0.000 -2.864) 5.712 6.905 ( -0.562 0.000 -0.152) 0.582 6.998 ( 2.469 0.000 -6.993) 7.416 7.028 ( 12.269 0.000 2.460) 12.513 7.279 ( -9.241 0.000 1.147) 9.312 7.540 ( -0.051 0.000 0.462) 0.465 7.673 ( 0.287 0.000 -5.777) 5.784 7.841 ( -0.488 0.000 -0.780) 0.920 7.874 ( -2.146 0.000 -1.168) 2.443 8.026 ( 1.366 0.000 11.250) 11.333 8.041 ( -5.217 0.000 -4.836) 7.114 8.170 ( -1.685 0.000 -7.661) 7.844 8.648 ( -0.085 0.000 2.320) 2.322 8.754 ( 4.869 0.000 1.827) 5.201 8.967 ( -9.403 0.000 -4.516) 10.431 9.063 ( 1.436 0.000 1.424) 2.022 9.248 ( -0.432 0.000 2.404) 2.443 9.254 ( 1.146 0.000 -0.164) 1.158 9.330 ( -3.260 0.000 2.800) 4.298 9.546 ( 3.132 0.000 8.048) 8.636 9.708 ( -3.360 0.000 -6.041) 6.913 10.068 ( -1.131 0.000 -1.605) 1.963 10.157 ( -2.806 0.000 1.082) 3.007 10.264 ( 1.735 0.000 1.655) 2.398 10.543 ( -3.026 0.000 -1.712) 3.477 10.613 ( -3.328 0.000 -4.216) 5.371 10.822 ( -1.492 0.000 7.109) 7.264 10.901 ( 1.760 0.000 -2.502) 3.059 11.058 ( -4.876 0.000 1.362) 5.063 11.192 ( 0.218 0.000 -1.093) 1.115 11.269 ( 4.129 0.000 -1.361) 4.347 11.480 ( 0.947 0.000 -1.389) 1.681 11.731 ( -2.050 0.000 -0.577) 2.130 12.009 ( -6.234 0.000 4.961) 7.967 12.173 ( -0.238 0.000 3.073) 3.082 12.255 ( 1.710 0.000 2.084) 2.695 12.414 ( 0.425 0.000 5.892) 5.907 12.793 ( -0.633 0.000 -0.401) 0.749 12.922 ( -4.510 0.000 1.064) 4.634 13.238 ( -0.223 0.000 0.418) 0.474 13.365 ( 1.022 0.000 -0.588) 1.179 13.499 ( 0.909 0.000 -4.379) 4.473 13.571 ( 0.855 0.000 15.033) 15.058 13.853 ( -3.407 0.000 -16.924) 17.263 13.907 ( -5.653 0.000 0.087) 5.654 14.216 ( -2.693 0.000 -1.309) 2.994 14.695 ( 8.150 0.000 1.497) 8.286 14.919 ( -8.299 0.000 -1.503) 8.434 15.056 ( 1.952 0.000 0.449) 2.003 15.544 ( 4.926 0.000 -2.239) 5.411 15.658 ( 1.871 0.000 -1.581) 2.450 15.744 ( -1.126 0.000 0.638) 1.295 16.067 ( 9.267 0.000 2.158) 9.515 16.310 ( 7.218 0.000 0.751) 7.257 16.463 ( -5.660 0.000 -1.522) 5.861 16.707 ( -3.914 0.000 -3.048) 4.961 16.897 ( -1.109 0.000 1.204) 1.637 16.974 ( -0.578 0.000 -2.068) 2.147 17.167 ( 2.818 0.000 5.267) 5.973 17.285 ( 0.710 0.000 -1.374) 1.547 17.585 ( 2.086 0.000 0.036) 2.087 17.761 ( 1.932 0.000 1.722) 2.588 18.005 ( -4.671 0.000 -1.354) 4.863 18.074 ( 3.926 0.000 2.089) 4.447 18.330 ( 13.467 0.000 9.092) 16.248 18.532 ( 0.010 0.000 2.287) 2.287 18.598 ( -9.754 0.000 -8.194) 12.739 19.136 ( -4.865 0.000 -6.654) 8.243 19.363 ( 4.594 0.000 0.595) 4.632 21.479 ( -1.586 0.000 0.623) 1.704 21.617 ( -3.574 0.000 -0.390) 3.596 22.146 ( -1.036 0.000 -1.071) 1.490 22.299 ( -3.561 0.000 -0.799) 3.650 27.473 ( 2.062 0.000 0.566) 2.138 27.870 ( 0.472 0.000 -4.403) 4.428 28.173 ( 2.890 0.000 1.143) 3.108 29.042 ( 3.227 0.000 -9.105) 9.660 29.908 ( -0.109 0.000 0.001) 0.109 29.947 ( 1.611 0.000 1.444) 2.163 30.195 ( 0.332 0.000 -1.809) 1.840 30.440 ( 3.157 0.000 -0.136) 3.160 30.762 ( 0.495 0.000 0.055) 0.498 31.005 ( -0.379 0.000 -0.499) 0.626 31.545 ( -0.875 0.000 -0.230) 0.905 31.679 ( -0.977 0.000 0.719) 1.213 32.057 ( -0.377 0.000 0.635) 0.738 32.188 ( 0.756 0.000 -1.849) 1.998 32.312 ( 1.258 0.000 -1.256) 1.778 32.749 ( 2.528 0.000 2.480) 3.541 33.099 ( 4.099 0.000 7.947) 8.942 33.271 ( -2.594 0.000 -0.885) 2.741 33.532 ( -3.620 0.000 -2.428) 4.359 33.934 ( 2.784 0.000 3.616) 4.563 33.968 ( 0.354 0.000 1.079) 1.136 34.386 ( 1.433 0.000 -0.637) 1.568 34.538 ( 0.949 0.000 -0.813) 1.250 34.822 ( -2.007 0.000 -0.791) 2.157 35.872 ( -2.149 0.000 5.395) 5.807 36.379 ( 1.082 0.000 -2.217) 2.468 36.621 ( -4.100 0.000 -1.479) 4.359 37.227 ( -1.506 0.000 1.492) 2.120 ======================= Grid point 7 (5/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.000 44.609 0.000) 44.609 1.079 ( 0.000 49.163 0.000) 49.163 1.374 ( 0.000 59.052 0.000) 59.052 2.609 ( 0.000 -1.614 0.000) 1.614 2.730 ( 0.000 0.542 0.000) 0.542 2.765 ( 0.000 0.197 0.000) 0.197 2.844 ( 0.000 -6.253 0.000) 6.253 3.294 ( 0.000 3.430 0.000) 3.430 3.326 ( 0.000 -5.363 0.000) 5.363 3.430 ( 0.000 -1.891 0.000) 1.891 3.686 ( 0.000 -1.468 0.000) 1.468 3.814 ( 0.000 7.600 0.000) 7.600 4.244 ( 0.000 -4.371 0.000) 4.371 4.585 ( 0.000 -6.018 0.000) 6.018 4.607 ( 0.000 -2.609 0.000) 2.609 4.633 ( 0.000 5.563 0.000) 5.563 4.873 ( 0.000 -11.870 0.000) 11.870 4.917 ( 0.000 -14.512 0.000) 14.512 4.948 ( 0.000 -3.296 0.000) 3.296 5.074 ( 0.000 1.186 0.000) 1.186 5.092 ( 0.000 -8.506 0.000) 8.506 5.211 ( 0.000 -1.598 0.000) 1.598 5.464 ( 0.000 -2.563 0.000) 2.563 5.692 ( 0.000 -0.165 0.000) 0.165 5.824 ( 0.000 6.919 0.000) 6.919 5.847 ( 0.000 19.154 0.000) 19.154 6.168 ( 0.000 -2.835 0.000) 2.835 6.169 ( 0.000 2.119 0.000) 2.119 6.446 ( 0.000 -0.257 0.000) 0.257 6.514 ( 0.000 1.959 0.000) 1.959 6.739 ( 0.000 3.679 0.000) 3.679 6.781 ( 0.000 -0.399 0.000) 0.399 6.901 ( 0.000 6.125 0.000) 6.125 7.064 ( 0.000 1.361 0.000) 1.361 7.230 ( 0.000 -1.493 0.000) 1.493 7.308 ( 0.000 1.848 0.000) 1.848 7.330 ( 0.000 -14.608 0.000) 14.608 7.744 ( 0.000 -1.530 0.000) 1.530 7.841 ( 0.000 3.686 0.000) 3.686 7.978 ( 0.000 6.005 0.000) 6.005 8.210 ( 0.000 -8.767 0.000) 8.767 8.301 ( 0.000 -0.870 0.000) 0.870 8.346 ( 0.000 0.288 0.000) 0.288 8.521 ( 0.000 1.362 0.000) 1.362 8.653 ( 0.000 -1.583 0.000) 1.583 8.890 ( 0.000 -3.820 0.000) 3.820 8.896 ( 0.000 2.503 0.000) 2.503 9.098 ( 0.000 -0.298 0.000) 0.298 9.371 ( 0.000 -9.243 0.000) 9.243 9.401 ( 0.000 -8.488 0.000) 8.488 9.774 ( 0.000 8.690 0.000) 8.690 9.940 ( 0.000 -8.736 0.000) 8.736 10.152 ( 0.000 -6.852 0.000) 6.852 10.235 ( 0.000 -6.743 0.000) 6.743 10.581 ( 0.000 -0.779 0.000) 0.779 10.627 ( 0.000 7.783 0.000) 7.783 10.727 ( 0.000 2.428 0.000) 2.428 10.902 ( 0.000 9.572 0.000) 9.572 10.997 ( 0.000 -0.088 0.000) 0.088 11.025 ( 0.000 1.505 0.000) 1.505 11.195 ( 0.000 5.469 0.000) 5.469 11.382 ( 0.000 6.058 0.000) 6.058 11.594 ( 0.000 -4.382 0.000) 4.382 11.814 ( 0.000 -4.786 0.000) 4.786 11.834 ( 0.000 -4.494 0.000) 4.494 12.048 ( 0.000 6.768 0.000) 6.768 12.239 ( 0.000 5.150 0.000) 5.150 12.657 ( 0.000 5.461 0.000) 5.461 12.814 ( 0.000 -0.803 0.000) 0.803 12.996 ( 0.000 6.169 0.000) 6.169 13.282 ( 0.000 -4.021 0.000) 4.021 13.538 ( 0.000 -6.380 0.000) 6.380 13.606 ( 0.000 -0.507 0.000) 0.507 13.766 ( 0.000 -25.616 0.000) 25.616 14.364 ( 0.000 -1.217 0.000) 1.217 14.547 ( 0.000 0.261 0.000) 0.261 14.628 ( 0.000 3.315 0.000) 3.315 14.835 ( 0.000 8.390 0.000) 8.390 14.898 ( 0.000 -7.617 0.000) 7.617 15.008 ( 0.000 -1.495 0.000) 1.495 15.266 ( 0.000 -0.004 0.000) 0.004 15.345 ( 0.000 11.880 0.000) 11.880 15.414 ( 0.000 -3.946 0.000) 3.946 15.613 ( 0.000 3.254 0.000) 3.254 16.205 ( 0.000 -4.803 0.000) 4.803 16.336 ( 0.000 -9.212 0.000) 9.212 16.641 ( 0.000 4.055 0.000) 4.055 16.646 ( 0.000 -0.995 0.000) 0.995 16.676 ( 0.000 3.641 0.000) 3.641 16.966 ( 0.000 -0.139 0.000) 0.139 17.091 ( 0.000 -9.351 0.000) 9.351 17.271 ( 0.000 -1.139 0.000) 1.139 17.578 ( 0.000 10.734 0.000) 10.734 17.939 ( 0.000 3.476 0.000) 3.476 18.065 ( 0.000 2.864 0.000) 2.864 18.478 ( 0.000 -4.678 0.000) 4.678 18.548 ( 0.000 0.065 0.000) 0.065 18.592 ( 0.000 -6.564 0.000) 6.564 18.779 ( 0.000 9.530 0.000) 9.530 19.264 ( 0.000 5.508 0.000) 5.508 22.001 ( 0.000 3.196 0.000) 3.196 22.126 ( 0.000 2.096 0.000) 2.096 22.263 ( 0.000 0.189 0.000) 0.189 22.629 ( 0.000 -4.256 0.000) 4.256 27.276 ( 0.000 2.739 0.000) 2.739 27.323 ( 0.000 2.724 0.000) 2.724 27.770 ( 0.000 -4.631 0.000) 4.631 27.887 ( 0.000 -5.745 0.000) 5.745 29.825 ( 0.000 2.190 0.000) 2.190 29.953 ( 0.000 1.500 0.000) 1.500 29.973 ( 0.000 0.504 0.000) 0.504 30.188 ( 0.000 -1.368 0.000) 1.368 31.049 ( 0.000 2.305 0.000) 2.305 31.243 ( 0.000 -2.331 0.000) 2.331 31.676 ( 0.000 4.484 0.000) 4.484 31.762 ( 0.000 0.336 0.000) 0.336 32.095 ( 0.000 3.226 0.000) 3.226 32.213 ( 0.000 1.071 0.000) 1.071 32.485 ( 0.000 -0.869 0.000) 0.869 32.515 ( 0.000 -3.822 0.000) 3.822 32.738 ( 0.000 5.436 0.000) 5.436 33.304 ( 0.000 -3.419 0.000) 3.419 33.652 ( 0.000 5.472 0.000) 5.472 33.886 ( 0.000 1.142 0.000) 1.142 34.044 ( 0.000 1.690 0.000) 1.690 34.259 ( 0.000 -1.613 0.000) 1.613 34.469 ( 0.000 -1.487 0.000) 1.487 34.937 ( 0.000 -7.111 0.000) 7.111 35.786 ( 0.000 3.131 0.000) 3.131 36.208 ( 0.000 -2.357 0.000) 2.357 37.159 ( 0.000 0.933 0.000) 0.933 37.601 ( 0.000 -5.261 0.000) 5.261 ======================= Grid point 8 (6/88) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 24.203 31.755 9.043) 40.939 1.450 ( 25.592 34.556 17.765) 46.526 2.069 ( 48.840 33.533 18.601) 62.095 2.608 ( -0.198 -0.386 -0.967) 1.060 2.685 ( -5.313 1.066 0.337) 5.429 2.752 ( 0.469 0.176 1.409) 1.495 2.822 ( -0.670 2.525 1.565) 3.046 3.203 ( -7.899 -2.689 3.177) 8.929 3.334 ( 2.343 6.997 3.830) 8.314 3.528 ( 3.172 4.900 1.250) 5.970 3.863 ( 22.468 -0.469 7.304) 23.630 4.058 ( 6.764 -5.115 -2.686) 8.895 4.192 ( 7.779 6.411 -4.859) 11.190 4.381 ( -7.062 4.714 -2.566) 8.870 4.578 ( -8.970 -4.920 2.454) 10.521 4.633 ( -0.020 -4.188 -1.796) 4.557 4.808 ( 2.411 -4.983 1.950) 5.869 4.972 ( 6.207 -4.312 -0.484) 7.573 5.048 ( 6.789 -10.948 -6.086) 14.247 5.147 ( 5.271 -11.622 -0.245) 12.764 5.171 ( -0.723 -3.023 -0.955) 3.252 5.250 ( 5.671 -0.694 6.576) 8.711 5.478 ( -1.243 -4.748 0.245) 4.914 5.644 ( -1.808 6.017 0.133) 6.284 5.855 ( 4.085 2.692 2.298) 5.404 5.868 ( -0.605 11.638 2.847) 11.997 6.022 ( -14.481 2.768 -8.607) 17.071 6.151 ( 0.972 -3.358 -2.198) 4.129 6.448 ( 0.164 -4.027 -4.013) 5.687 6.544 ( 7.666 2.540 -2.299) 8.396 6.650 ( -5.391 2.469 -5.653) 8.192 6.724 ( -4.044 4.415 -3.277) 6.825 6.975 ( -7.689 -7.555 -3.565) 11.353 7.065 ( -1.031 -1.677 0.319) 1.994 7.144 ( 2.989 0.777 1.424) 3.401 7.272 ( 9.377 0.186 -3.903) 10.158 7.485 ( -0.987 2.425 7.881) 8.305 7.685 ( -0.380 -1.216 -13.355) 13.416 7.815 ( -0.022 2.243 0.074) 2.244 7.986 ( 0.018 0.356 -1.543) 1.583 8.223 ( 0.460 -2.809 -6.519) 7.113 8.258 ( -3.177 -2.895 0.097) 4.299 8.346 ( -1.074 0.580 1.583) 1.999 8.511 ( 2.978 1.934 -6.857) 7.722 8.626 ( -2.041 0.993 2.668) 3.503 8.897 ( -1.698 -6.035 6.281) 8.874 8.969 ( 6.986 1.321 -0.089) 7.110 9.109 ( -1.903 2.079 9.332) 9.749 9.327 ( -6.252 -6.496 2.466) 9.347 9.338 ( -1.787 -9.497 -3.929) 10.432 9.742 ( -2.769 6.839 0.194) 7.381 9.958 ( 1.507 -1.765 -0.403) 2.355 10.137 ( -3.666 -3.184 -3.616) 6.054 10.181 ( -1.471 -8.428 -1.348) 8.661 10.514 ( -3.032 5.929 -5.730) 8.785 10.596 ( -2.439 -2.505 2.815) 4.489 10.773 ( -2.894 2.886 4.584) 6.141 10.930 ( -1.831 8.755 7.830) 11.888 11.001 ( 2.624 -0.603 -3.786) 4.645 11.037 ( -3.494 8.603 -2.599) 9.642 11.146 ( 1.600 -4.702 -2.975) 5.790 11.314 ( -1.417 1.261 -4.906) 5.260 11.610 ( -6.504 0.182 8.735) 10.892 11.816 ( 1.646 -6.659 13.746) 15.362 11.906 ( -3.513 1.746 5.024) 6.374 12.087 ( 2.602 -1.133 9.306) 9.729 12.219 ( -1.851 3.541 0.487) 4.026 12.538 ( -12.708 5.979 5.752) 15.176 12.838 ( -2.546 4.165 5.363) 7.252 12.994 ( 3.788 3.876 5.604) 7.796 13.257 ( -4.762 -1.954 0.426) 5.164 13.473 ( -4.502 -6.771 -4.575) 9.330 13.515 ( -6.655 -0.237 -4.109) 7.825 13.750 ( -9.610 -7.030 2.813) 12.235 13.869 ( -10.243 -3.788 -3.344) 11.422 14.301 ( -6.641 -1.605 -11.370) 13.265 14.428 ( -7.174 5.117 0.029) 8.812 14.721 ( 0.056 6.188 3.352) 7.038 14.880 ( 1.823 3.029 -2.777) 4.495 15.123 ( -4.173 -4.485 4.143) 7.396 15.286 ( 6.629 -0.260 -4.307) 7.910 15.471 ( 8.062 -2.606 -3.139) 9.035 15.627 ( 6.747 0.649 -1.066) 6.862 15.869 ( -8.334 -6.040 -12.685) 16.335 16.047 ( 14.152 -0.585 3.247) 14.532 16.563 ( 5.629 -7.429 2.029) 9.539 16.666 ( 1.705 0.120 10.350) 10.490 16.780 ( 8.936 -0.215 0.358) 8.946 16.825 ( 9.918 -1.604 -5.534) 11.470 16.969 ( 1.947 -0.812 -0.232) 2.122 17.133 ( 1.260 -6.909 -0.805) 7.069 17.379 ( 5.115 -0.320 5.526) 7.537 17.616 ( 3.408 8.609 3.668) 9.959 17.916 ( -1.724 8.459 1.773) 8.813 17.987 ( 2.533 5.067 1.870) 5.966 18.371 ( -9.292 -3.055 -1.828) 9.950 18.571 ( -2.745 4.627 5.315) 7.563 18.889 ( 7.875 -2.073 -2.842) 8.625 18.966 ( 17.819 -15.783 -13.006) 27.125 19.275 ( 5.147 1.731 -2.421) 5.945 21.798 ( -15.020 10.711 0.464) 18.453 21.962 ( -7.736 2.924 -3.551) 9.000 22.242 ( -1.477 0.003 -1.117) 1.852 22.560 ( -6.523 -3.729 -0.263) 7.518 27.351 ( 2.868 2.321 -0.403) 3.712 27.757 ( 11.085 -11.937 -5.634) 17.238 27.876 ( 5.920 -4.170 -1.053) 7.318 28.179 ( 39.987 -29.840 -8.680) 50.643 29.842 ( 1.243 1.716 0.927) 2.313 29.919 ( -0.605 0.316 -0.309) 0.749 30.079 ( 6.379 0.089 1.705) 6.604 30.212 ( 3.114 -1.149 -1.628) 3.697 31.034 ( -1.374 4.458 -0.930) 4.757 31.134 ( -4.371 4.965 -8.291) 10.606 31.644 ( -1.831 3.596 -1.401) 4.272 31.755 ( -1.006 0.652 -0.044) 1.200 32.095 ( -0.681 3.118 1.650) 3.593 32.207 ( 1.129 1.161 -3.783) 4.115 32.456 ( 1.106 6.095 -9.264) 11.144 32.544 ( 2.592 0.586 4.199) 4.969 32.764 ( 2.777 4.530 4.927) 7.246 33.322 ( -0.797 -5.765 4.140) 7.142 33.660 ( -0.879 3.419 2.690) 4.438 33.853 ( -2.375 3.437 -0.490) 4.207 34.009 ( -5.118 6.878 11.554) 14.387 34.286 ( 1.672 -1.390 1.173) 2.471 34.466 ( 1.256 -1.661 -1.993) 2.883 34.942 ( -0.072 -5.329 -1.862) 5.645 35.793 ( -8.257 -1.781 22.547) 24.077 36.233 ( 5.388 -5.770 -9.700) 12.507 37.062 ( -9.392 2.075 -2.813) 10.021 37.372 ( -11.391 3.107 1.125) 11.861 ======================= Grid point 9 (7/88) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 23.191 9.190 10.850) 27.203 2.136 ( 23.570 20.352 20.934) 37.523 2.555 ( -2.560 -0.714 -2.432) 3.602 2.625 ( -0.203 2.966 0.497) 3.015 2.784 ( 2.073 1.682 2.353) 3.558 2.834 ( 4.012 3.274 2.176) 5.617 3.077 ( 9.289 6.970 16.439) 20.127 3.203 ( 19.415 4.698 5.131) 20.624 3.404 ( 0.298 15.882 0.208) 15.887 3.656 ( 5.315 5.710 -2.644) 8.236 3.886 ( 0.581 5.934 -1.009) 6.047 4.198 ( 1.258 1.330 -1.074) 2.122 4.237 ( -4.493 -7.782 -5.580) 10.577 4.488 ( 9.861 10.068 11.120) 17.951 4.673 ( 7.466 -3.529 -3.487) 8.964 4.690 ( 8.307 -3.716 3.438) 9.728 4.903 ( 7.936 -1.333 1.874) 8.263 5.066 ( 3.317 -7.014 -7.975) 11.127 5.101 ( 1.241 0.753 -0.561) 1.556 5.126 ( 0.708 -4.703 -4.880) 6.814 5.333 ( 5.105 -2.164 8.889) 10.476 5.415 ( 8.590 0.784 1.351) 8.731 5.496 ( 7.605 -5.239 -0.537) 9.250 5.594 ( -0.922 0.116 -2.498) 2.665 5.693 ( -6.331 -2.574 -0.264) 6.840 5.856 ( -3.698 -0.069 7.380) 8.255 6.019 ( 7.855 7.042 -4.524) 11.478 6.173 ( -0.694 -1.945 -0.549) 2.137 6.355 ( -0.934 -3.594 -7.281) 8.173 6.429 ( -6.741 -7.256 -11.360) 15.071 6.580 ( -1.397 -2.480 -8.777) 9.227 6.710 ( 8.806 -2.481 -4.195) 10.065 6.850 ( -8.439 2.785 6.706) 11.133 6.986 ( -3.705 -0.506 -3.775) 5.314 7.162 ( 3.062 2.745 -6.338) 7.555 7.427 ( -8.202 5.539 8.287) 12.908 7.534 ( 9.247 -3.842 -4.781) 11.096 7.566 ( -0.605 -0.608 -6.463) 6.520 7.821 ( 1.347 1.960 -3.607) 4.321 7.918 ( -5.332 -0.777 -0.232) 5.393 8.115 ( -5.954 -1.048 -1.762) 6.297 8.208 ( 0.852 -1.099 -7.504) 7.632 8.294 ( -5.108 4.041 1.747) 6.743 8.568 ( 3.544 -1.134 0.782) 3.803 8.644 ( 3.241 -0.424 -0.485) 3.305 8.903 ( -2.295 -7.500 5.159) 9.388 9.126 ( 6.063 1.892 -2.461) 6.811 9.162 ( -6.475 -2.887 11.205) 13.259 9.211 ( -1.347 -3.410 3.957) 5.394 9.271 ( -2.037 -5.768 0.215) 6.121 9.676 ( -4.765 4.675 2.279) 7.053 9.943 ( -4.390 8.192 -4.544) 10.346 10.000 ( -2.066 -6.530 -1.524) 7.016 10.155 ( -2.485 -7.429 -0.402) 7.843 10.417 ( -3.580 7.044 0.597) 7.924 10.562 ( -2.379 -1.113 -0.420) 2.660 10.660 ( -6.817 -0.676 -3.408) 7.652 10.919 ( -4.254 8.574 8.891) 13.064 10.962 ( 0.580 1.992 -3.005) 3.652 11.055 ( 3.387 -1.481 -5.837) 6.909 11.159 ( -1.283 -0.456 5.771) 5.929 11.298 ( 0.850 -4.377 1.040) 4.578 11.518 ( -3.749 8.841 -4.565) 10.633 11.861 ( -2.518 3.593 6.036) 7.462 11.962 ( -0.648 -4.338 10.622) 11.492 12.165 ( -2.912 0.832 7.351) 7.950 12.225 ( 0.830 -5.539 3.864) 6.804 12.364 ( -7.514 5.511 7.864) 12.193 12.823 ( -2.490 1.732 1.621) 3.439 13.087 ( -7.133 1.677 -1.175) 7.421 13.205 ( 3.366 -2.549 16.381) 16.916 13.291 ( -3.821 1.759 -4.586) 6.223 13.458 ( 0.860 -7.108 -4.147) 8.274 13.591 ( -5.258 2.828 -2.406) 6.437 13.803 ( -3.122 -21.693 -2.824) 22.098 14.046 ( -5.971 -3.123 -18.905) 20.070 14.316 ( -4.476 6.173 0.636) 7.652 14.690 ( -2.926 5.398 1.525) 6.327 14.925 ( 3.310 -4.440 -1.321) 5.694 15.037 ( -6.053 -3.949 1.822) 7.453 15.406 ( 8.407 -0.353 -3.639) 9.168 15.572 ( 1.222 -3.319 -4.039) 5.369 15.714 ( 5.054 -3.115 -3.476) 6.879 15.864 ( 12.390 3.870 0.567) 12.993 16.251 ( 8.272 5.178 0.190) 9.761 16.573 ( -0.695 -0.083 -3.148) 3.225 16.727 ( -1.585 -6.676 -0.312) 6.868 16.889 ( -0.462 0.771 5.891) 5.959 17.019 ( 5.970 2.009 -0.588) 6.326 17.027 ( 4.951 -0.315 2.801) 5.698 17.146 ( 2.047 -7.981 -1.454) 8.366 17.478 ( 3.621 -0.610 2.655) 4.531 17.711 ( 1.559 0.298 2.268) 2.768 17.980 ( 0.826 2.759 5.258) 5.995 18.074 ( 2.149 7.505 1.338) 7.921 18.267 ( 3.389 7.463 4.001) 9.121 18.562 ( -1.194 4.525 4.683) 6.620 18.846 ( -6.499 -2.226 -7.870) 10.446 19.069 ( 5.896 -6.248 -11.244) 14.151 19.386 ( 6.768 2.493 -3.054) 7.833 21.584 ( -8.038 4.798 1.809) 9.535 21.766 ( -9.366 1.374 -1.371) 9.565 22.191 ( -2.169 -0.051 -1.761) 2.794 22.405 ( -7.586 -2.500 -0.899) 8.037 27.419 ( 3.854 1.571 0.011) 4.162 27.817 ( 2.930 -7.048 -7.136) 10.449 28.016 ( 7.777 -2.974 0.082) 8.327 28.675 ( 18.885 -24.932 -12.008) 33.503 29.881 ( 1.631 0.120 1.093) 1.967 29.922 ( 0.588 0.778 0.511) 1.101 30.185 ( 3.205 -0.226 -1.463) 3.530 30.305 ( 6.578 -1.380 0.666) 6.754 30.964 ( -2.636 11.665 -3.829) 12.558 31.046 ( -0.990 2.090 -1.765) 2.910 31.595 ( -2.034 2.025 -1.000) 3.039 31.727 ( -1.627 1.234 0.459) 2.093 32.095 ( -0.672 3.112 1.717) 3.617 32.204 ( 1.632 1.372 -4.022) 4.552 32.431 ( 2.392 10.041 -6.435) 12.164 32.656 ( 4.178 0.949 5.522) 6.990 32.914 ( 5.255 1.242 10.413) 11.730 33.317 ( -2.277 -3.611 1.973) 4.703 33.618 ( -4.766 0.079 0.559) 4.800 33.851 ( 1.628 2.769 2.359) 3.985 34.026 ( -0.023 6.962 3.998) 8.028 34.333 ( 2.010 -1.177 1.023) 2.544 34.490 ( 2.713 -1.708 -2.287) 3.938 34.900 ( -2.099 -1.001 -2.102) 3.135 35.812 ( -4.987 -4.031 14.924) 16.243 36.251 ( 2.831 -8.599 -6.195) 10.970 36.818 ( -10.672 2.667 -3.022) 11.408 37.243 ( -5.375 -1.771 2.997) 6.404 ======================= Grid point 10 (8/88) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 6.558 -6.792 3.434) 10.046 2.454 ( 0.098 -1.219 0.774) 1.448 2.582 ( 3.590 6.808 6.542) 10.101 2.666 ( 1.817 0.954 1.035) 2.298 2.860 ( 1.912 2.753 4.609) 5.699 2.996 ( 10.931 11.546 1.186) 15.944 3.260 ( -4.763 9.759 4.893) 11.911 3.278 ( 7.610 2.556 1.748) 8.216 3.520 ( -1.078 11.037 0.651) 11.109 3.593 ( -1.537 12.172 -2.924) 12.612 3.881 ( -2.474 -4.286 -4.659) 6.797 4.189 ( -3.205 13.532 -0.652) 13.921 4.357 ( 9.319 2.983 3.274) 10.318 4.544 ( -5.329 5.019 -3.285) 8.024 4.782 ( 6.756 -5.190 10.232) 13.314 4.834 ( 1.941 -4.652 -6.642) 8.338 4.963 ( 0.406 -4.031 -7.433) 8.466 5.082 ( 2.794 -4.002 1.527) 5.114 5.124 ( -0.883 -1.516 1.708) 2.449 5.180 ( 6.503 -2.063 5.790) 8.948 5.365 ( 0.081 -5.026 -3.326) 6.027 5.547 ( -0.232 1.899 5.789) 6.097 5.589 ( 7.487 -1.123 3.203) 8.220 5.719 ( -2.861 -0.850 0.057) 2.986 5.794 ( 10.351 -2.719 -3.713) 11.328 5.891 ( 7.579 2.740 1.145) 8.140 6.050 ( 0.074 6.190 -6.196) 8.759 6.072 ( -2.447 10.566 -1.253) 10.918 6.264 ( -8.442 -2.537 -4.999) 10.134 6.413 ( 5.503 -11.874 5.931) 14.368 6.595 ( 2.755 -5.774 0.895) 6.460 6.629 ( -6.324 -2.506 -11.612) 13.458 6.866 ( 8.234 -2.878 1.342) 8.825 6.935 ( 0.504 0.887 -0.125) 1.028 7.222 ( -2.468 -3.798 -0.734) 4.589 7.280 ( -2.414 9.207 -0.726) 9.546 7.440 ( -2.747 -7.037 -0.333) 7.561 7.590 ( -3.128 -8.462 -4.412) 10.043 7.766 ( -0.436 1.100 -1.086) 1.606 7.937 ( -2.104 1.187 4.125) 4.781 7.979 ( -1.044 0.580 -5.151) 5.287 8.179 ( -0.816 4.307 0.675) 4.436 8.222 ( -1.401 5.665 -1.521) 6.031 8.593 ( -1.281 -3.251 2.389) 4.233 8.728 ( 3.110 -3.261 -0.019) 4.506 8.884 ( -1.212 -5.684 -0.463) 5.830 9.043 ( -4.527 -10.386 1.872) 11.483 9.091 ( -3.369 1.425 -0.761) 3.736 9.291 ( 3.032 2.911 2.068) 4.684 9.378 ( 3.928 0.427 5.062) 6.421 9.623 ( -1.871 1.874 3.865) 4.685 9.801 ( -3.593 6.499 -7.019) 10.218 9.984 ( -0.492 -6.580 1.661) 6.805 10.070 ( -4.001 -2.696 -0.668) 4.870 10.418 ( 2.232 3.454 -0.959) 4.223 10.478 ( -4.727 -4.671 2.008) 6.942 10.554 ( -0.954 3.738 -3.470) 5.189 10.930 ( 0.444 1.900 -1.760) 2.628 10.975 ( 1.466 4.527 5.290) 7.115 11.042 ( -3.159 -1.493 3.364) 4.850 11.180 ( 1.295 8.200 -3.899) 9.172 11.326 ( 0.463 -5.554 1.575) 5.792 11.427 ( -0.551 8.016 -4.812) 9.366 11.874 ( 0.320 7.019 0.205) 7.029 11.946 ( -5.668 -2.999 8.378) 10.550 12.188 ( -0.172 0.550 3.593) 3.639 12.242 ( 1.386 -2.648 -0.779) 3.089 12.356 ( -1.780 -3.591 5.541) 6.839 12.774 ( -1.429 -1.347 -0.850) 2.140 12.940 ( -4.680 1.540 -0.687) 4.974 13.245 ( -0.151 0.122 -0.087) 0.212 13.385 ( 2.554 -1.089 2.207) 3.546 13.495 ( -0.566 1.185 -4.000) 4.210 13.516 ( 3.035 -5.333 14.399) 15.652 13.694 ( -4.250 -15.143 -3.114) 16.033 13.790 ( -4.558 -8.050 -17.477) 19.775 14.254 ( -1.924 5.941 0.082) 6.246 14.721 ( 4.946 -0.333 1.106) 5.079 14.862 ( -7.297 -3.628 -0.735) 8.182 15.011 ( 0.959 -4.207 0.469) 4.340 15.518 ( 4.207 -3.139 -2.112) 5.658 15.548 ( -0.453 -5.167 -0.641) 5.226 15.783 ( 2.255 2.409 -0.637) 3.361 16.133 ( 10.353 5.782 1.609) 11.967 16.400 ( 5.097 3.857 -0.859) 6.449 16.518 ( -1.515 5.476 -0.360) 5.694 16.658 ( -4.004 -2.727 -1.680) 5.127 16.878 ( -1.498 -0.676 1.435) 2.181 17.039 ( -0.761 2.947 -1.598) 3.438 17.127 ( 1.970 -3.864 1.345) 4.541 17.192 ( 1.615 -7.804 1.403) 8.091 17.558 ( 1.598 -2.972 0.662) 3.439 17.752 ( 1.955 -0.108 1.573) 2.512 17.928 ( -3.968 -0.769 -0.215) 4.048 18.169 ( 4.306 7.296 4.320) 9.510 18.447 ( 4.638 4.991 4.396) 8.109 18.543 ( -5.129 1.151 -2.780) 5.947 18.731 ( 3.383 10.040 2.251) 10.831 18.983 ( -4.061 -6.119 -10.535) 12.842 19.501 ( 4.332 6.454 0.081) 7.773 21.489 ( -2.767 0.988 0.976) 3.096 21.612 ( -4.411 -0.441 -0.417) 4.453 22.145 ( -1.012 0.122 -0.814) 1.305 22.285 ( -3.212 -1.327 -0.646) 3.535 27.484 ( 1.914 0.965 0.395) 2.180 27.803 ( 0.643 -5.608 -3.677) 6.737 28.133 ( 3.227 -2.614 0.259) 4.161 28.831 ( 5.137 -16.727 -4.649) 18.106 29.910 ( 0.577 0.104 0.243) 0.634 29.944 ( 0.700 -0.274 0.792) 1.092 30.206 ( 0.746 0.915 -1.338) 1.784 30.421 ( 3.278 -1.574 0.806) 3.725 30.909 ( -0.871 10.826 -1.335) 10.943 31.027 ( -0.304 2.335 -0.367) 2.384 31.557 ( -0.966 1.342 -0.412) 1.704 31.706 ( -0.721 1.487 0.308) 1.681 32.095 ( -0.269 3.317 0.651) 3.391 32.205 ( 0.689 1.513 -1.558) 2.278 32.433 ( 1.046 9.678 -2.211) 9.983 32.765 ( 2.578 1.206 2.464) 3.764 33.087 ( 3.553 -0.771 7.010) 7.897 33.275 ( -1.909 -0.251 -0.012) 1.926 33.520 ( -3.140 -0.434 -2.207) 3.863 33.905 ( 1.177 -2.846 1.536) 3.441 34.055 ( 0.747 7.821 0.552) 7.876 34.371 ( 0.838 -0.997 0.703) 1.480 34.527 ( 1.846 -0.832 -1.016) 2.265 34.848 ( -1.428 1.423 -0.940) 2.225 35.826 ( -1.516 -3.681 4.786) 6.225 36.254 ( 0.786 -10.228 -1.943) 10.441 36.643 ( -4.503 2.130 -1.158) 5.114 37.184 ( -2.160 -4.126 1.217) 4.814 ======================= Grid point 14 (9/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.000 33.960 0.000) 33.960 2.088 ( 0.000 41.755 0.000) 41.755 2.339 ( 0.000 22.356 0.000) 22.356 2.574 ( 0.000 -8.407 0.000) 8.407 2.609 ( 0.000 3.486 0.000) 3.486 2.767 ( 0.000 6.176 0.000) 6.176 3.042 ( 0.000 15.413 0.000) 15.413 3.274 ( 0.000 -1.606 0.000) 1.606 3.278 ( 0.000 0.360 0.000) 0.360 3.504 ( 0.000 2.137 0.000) 2.137 3.558 ( 0.000 -2.883 0.000) 2.883 3.877 ( 0.000 -3.750 0.000) 3.750 4.149 ( 0.000 -5.147 0.000) 5.147 4.261 ( 0.000 -27.635 0.000) 27.635 4.369 ( 0.000 -5.685 0.000) 5.685 4.625 ( 0.000 -11.842 0.000) 11.842 4.724 ( 0.000 -6.930 0.000) 6.930 4.776 ( 0.000 -1.715 0.000) 1.715 4.849 ( 0.000 6.507 0.000) 6.507 5.020 ( 0.000 2.964 0.000) 2.964 5.072 ( 0.000 -3.110 0.000) 3.110 5.319 ( 0.000 9.452 0.000) 9.452 5.346 ( 0.000 -7.600 0.000) 7.600 5.732 ( 0.000 -0.432 0.000) 0.432 5.916 ( 0.000 2.489 0.000) 2.489 5.982 ( 0.000 -6.991 0.000) 6.991 6.182 ( 0.000 2.672 0.000) 2.672 6.241 ( 0.000 8.462 0.000) 8.462 6.561 ( 0.000 6.450 0.000) 6.450 6.609 ( 0.000 6.542 0.000) 6.542 6.748 ( 0.000 0.252 0.000) 0.252 6.806 ( 0.000 0.265 0.000) 0.265 6.898 ( 0.000 -5.152 0.000) 5.152 6.990 ( 0.000 -7.773 0.000) 7.773 7.198 ( 0.000 2.959 0.000) 2.959 7.267 ( 0.000 3.553 0.000) 3.553 7.378 ( 0.000 4.522 0.000) 4.522 7.686 ( 0.000 -4.513 0.000) 4.513 7.939 ( 0.000 3.203 0.000) 3.203 7.995 ( 0.000 -3.302 0.000) 3.302 8.117 ( 0.000 2.574 0.000) 2.574 8.287 ( 0.000 0.580 0.000) 0.580 8.332 ( 0.000 -1.882 0.000) 1.882 8.539 ( 0.000 1.470 0.000) 1.470 8.566 ( 0.000 -6.790 0.000) 6.790 8.781 ( 0.000 -5.873 0.000) 5.873 8.937 ( 0.000 2.694 0.000) 2.694 9.141 ( 0.000 4.849 0.000) 4.849 9.223 ( 0.000 -8.008 0.000) 8.008 9.270 ( 0.000 0.084 0.000) 0.084 9.642 ( 0.000 -15.313 0.000) 15.313 9.754 ( 0.000 -18.702 0.000) 18.702 9.976 ( 0.000 4.104 0.000) 4.104 10.140 ( 0.000 -3.272 0.000) 3.272 10.752 ( 0.000 11.571 0.000) 11.571 10.775 ( 0.000 4.289 0.000) 4.289 10.798 ( 0.000 2.621 0.000) 2.621 11.020 ( 0.000 1.834 0.000) 1.834 11.094 ( 0.000 9.645 0.000) 9.645 11.162 ( 0.000 9.133 0.000) 9.133 11.378 ( 0.000 10.480 0.000) 10.480 11.454 ( 0.000 0.560 0.000) 0.560 11.481 ( 0.000 -5.023 0.000) 5.023 11.701 ( 0.000 -8.088 0.000) 8.088 11.735 ( 0.000 0.336 0.000) 0.336 12.184 ( 0.000 5.077 0.000) 5.077 12.329 ( 0.000 2.057 0.000) 2.057 12.743 ( 0.000 -10.966 0.000) 10.966 12.836 ( 0.000 2.426 0.000) 2.426 12.880 ( 0.000 -17.831 0.000) 17.831 13.128 ( 0.000 5.847 0.000) 5.847 13.326 ( 0.000 -3.881 0.000) 3.881 13.571 ( 0.000 -2.238 0.000) 2.238 13.583 ( 0.000 -1.540 0.000) 1.540 14.351 ( 0.000 0.914 0.000) 0.914 14.533 ( 0.000 -2.679 0.000) 2.679 14.684 ( 0.000 1.377 0.000) 1.377 14.735 ( 0.000 -5.506 0.000) 5.506 14.976 ( 0.000 5.568 0.000) 5.568 15.033 ( 0.000 3.842 0.000) 3.842 15.225 ( 0.000 -3.926 0.000) 3.926 15.285 ( 0.000 -6.879 0.000) 6.879 15.614 ( 0.000 12.104 0.000) 12.104 15.725 ( 0.000 6.217 0.000) 6.217 16.070 ( 0.000 -6.983 0.000) 6.983 16.131 ( 0.000 -9.621 0.000) 9.621 16.632 ( 0.000 0.594 0.000) 0.594 16.695 ( 0.000 0.711 0.000) 0.711 16.798 ( 0.000 5.573 0.000) 5.573 16.920 ( 0.000 -5.666 0.000) 5.666 16.969 ( 0.000 1.483 0.000) 1.483 17.208 ( 0.000 -4.901 0.000) 4.901 17.808 ( 0.000 10.364 0.000) 10.364 18.042 ( 0.000 4.630 0.000) 4.630 18.163 ( 0.000 6.112 0.000) 6.112 18.328 ( 0.000 -7.232 0.000) 7.232 18.439 ( 0.000 -7.084 0.000) 7.084 18.473 ( 0.000 -5.960 0.000) 5.960 19.068 ( 0.000 13.779 0.000) 13.779 19.352 ( 0.000 1.519 0.000) 1.519 22.086 ( 0.000 4.164 0.000) 4.164 22.177 ( 0.000 1.701 0.000) 1.701 22.277 ( 0.000 1.801 0.000) 1.801 22.508 ( 0.000 -6.502 0.000) 6.502 27.361 ( 0.000 5.059 0.000) 5.059 27.411 ( 0.000 5.423 0.000) 5.423 27.640 ( 0.000 -6.883 0.000) 6.883 27.730 ( 0.000 -8.215 0.000) 8.215 29.886 ( 0.000 3.192 0.000) 3.192 29.976 ( 0.000 -0.455 0.000) 0.455 29.999 ( 0.000 2.639 0.000) 2.639 30.140 ( 0.000 -3.015 0.000) 3.015 31.104 ( 0.000 2.464 0.000) 2.464 31.193 ( 0.000 -2.128 0.000) 2.128 31.762 ( 0.000 2.815 0.000) 2.815 31.777 ( 0.000 0.934 0.000) 0.934 32.187 ( 0.000 4.555 0.000) 4.555 32.243 ( 0.000 1.404 0.000) 1.404 32.451 ( 0.000 -1.974 0.000) 1.974 32.459 ( 0.000 -1.446 0.000) 1.446 32.866 ( 0.000 6.573 0.000) 6.573 33.194 ( 0.000 -6.723 0.000) 6.723 33.803 ( 0.000 7.644 0.000) 7.644 33.922 ( 0.000 1.926 0.000) 1.926 34.084 ( 0.000 1.876 0.000) 1.876 34.206 ( 0.000 -3.255 0.000) 3.255 34.450 ( 0.000 0.593 0.000) 0.593 34.736 ( 0.000 -10.575 0.000) 10.575 35.881 ( 0.000 5.416 0.000) 5.416 36.130 ( 0.000 -4.769 0.000) 4.769 37.201 ( 0.000 3.218 0.000) 3.218 37.456 ( 0.000 -7.477 0.000) 7.477 ======================= Grid point 15 (10/88) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 6.108 32.441 0.012) 33.011 2.178 ( 17.408 24.860 5.594) 30.861 2.536 ( 5.299 -0.275 2.086) 5.701 2.623 ( 1.673 4.585 2.983) 5.720 2.665 ( 11.130 6.573 8.656) 15.557 2.798 ( 2.385 8.954 2.928) 9.718 3.089 ( 0.757 14.457 5.016) 15.321 3.216 ( -0.339 4.614 2.897) 5.459 3.462 ( 9.344 1.403 6.554) 11.500 3.605 ( 9.836 7.103 1.388) 12.211 3.733 ( 11.304 -9.798 11.466) 18.848 3.974 ( 9.782 -5.579 -0.218) 11.263 4.195 ( 4.127 -8.015 -7.145) 11.503 4.273 ( 8.277 -7.465 -1.030) 11.193 4.564 ( 7.030 -11.256 11.503) 17.562 4.581 ( 3.516 3.567 -11.972) 12.977 4.710 ( 5.803 -9.678 2.558) 11.571 4.819 ( 3.370 -7.328 -6.421) 10.310 4.858 ( 0.899 10.174 -0.306) 10.218 5.004 ( 0.962 -2.821 -2.062) 3.624 5.136 ( -1.327 -1.653 6.073) 6.432 5.282 ( 3.125 1.931 2.638) 4.522 5.388 ( -0.043 -2.329 1.099) 2.576 5.694 ( -5.071 -5.426 0.670) 7.457 5.879 ( -4.585 0.380 -1.529) 4.848 5.894 ( -0.925 3.223 0.511) 3.392 6.231 ( 0.674 6.628 -5.775) 8.817 6.246 ( -2.675 5.207 -3.624) 6.885 6.364 ( -6.637 1.552 -7.250) 9.951 6.572 ( -1.374 -2.350 -11.007) 11.338 6.626 ( -7.013 -4.295 -9.769) 12.770 6.770 ( -9.077 -1.663 -6.030) 11.024 6.806 ( -2.869 -1.496 7.586) 8.248 7.058 ( 5.233 -8.568 -5.103) 11.262 7.135 ( 1.045 7.248 -0.080) 7.323 7.319 ( 6.531 2.385 0.253) 6.957 7.569 ( 5.617 4.419 6.565) 9.704 7.685 ( 1.539 1.490 -7.149) 7.463 7.861 ( -3.231 -0.250 -3.634) 4.869 7.956 ( -0.509 -1.092 0.236) 1.228 8.180 ( -4.601 -2.765 1.062) 5.472 8.196 ( -1.056 0.166 -2.485) 2.705 8.363 ( -0.461 0.732 4.640) 4.720 8.550 ( 1.193 0.133 -2.492) 2.766 8.574 ( 0.730 -3.156 1.522) 3.580 8.765 ( -2.845 -5.700 6.024) 8.767 9.006 ( 5.347 2.611 2.976) 6.653 9.174 ( -0.219 1.397 3.346) 3.633 9.208 ( -1.278 1.195 0.045) 1.750 9.229 ( -2.669 -2.614 0.228) 3.742 9.606 ( -1.734 -14.976 -2.293) 15.250 9.825 ( 1.788 -18.385 7.128) 19.799 9.972 ( 1.046 3.053 -2.482) 4.071 10.098 ( -3.957 -2.760 1.260) 4.986 10.663 ( -4.989 5.633 -4.455) 8.744 10.756 ( -0.733 11.726 1.926) 11.906 10.821 ( -4.724 -0.209 2.546) 5.371 11.022 ( -0.064 0.351 -2.388) 2.414 11.084 ( 0.515 9.767 -1.893) 9.962 11.159 ( -1.065 6.405 3.723) 7.484 11.237 ( -6.982 3.865 -11.241) 13.786 11.334 ( -5.004 4.499 0.106) 6.730 11.524 ( -3.735 -3.396 15.445) 16.249 11.806 ( 8.463 0.050 2.079) 8.715 11.857 ( 3.827 -4.502 8.918) 10.698 12.134 ( -4.267 5.171 0.315) 6.712 12.294 ( -4.174 2.101 1.518) 4.913 12.625 ( -12.307 -4.281 7.070) 14.825 12.836 ( -1.017 -7.605 1.803) 7.882 12.914 ( 2.538 -12.388 1.343) 12.717 13.153 ( 0.931 3.028 2.811) 4.235 13.279 ( -4.716 -0.895 1.025) 4.909 13.518 ( -3.473 -0.916 -7.340) 8.172 13.553 ( -0.332 -4.202 -4.635) 6.265 14.055 ( -24.025 7.313 -4.224) 25.466 14.259 ( -11.005 -2.642 -11.210) 15.930 14.541 ( -2.789 5.729 -1.733) 6.604 14.765 ( 1.408 -1.071 -0.664) 1.889 14.931 ( -8.707 1.821 2.913) 9.360 15.044 ( -6.371 -3.115 3.460) 7.890 15.287 ( 10.803 1.264 -5.997) 12.420 15.403 ( 12.683 -3.430 -3.673) 13.642 15.617 ( 4.328 -0.964 -2.553) 5.117 15.729 ( -4.447 -6.409 -11.163) 13.618 16.101 ( 15.551 4.690 1.766) 16.339 16.374 ( 7.299 -8.266 2.272) 11.259 16.687 ( 1.756 1.952 3.651) 4.497 16.781 ( 6.090 0.395 -3.208) 6.894 16.845 ( 6.475 1.060 -2.548) 7.039 16.982 ( 0.303 -2.201 12.578) 12.773 17.035 ( 5.390 2.165 0.859) 5.872 17.312 ( 5.413 -5.395 5.444) 9.383 17.799 ( -0.835 9.055 -0.093) 9.094 18.073 ( -3.672 4.888 2.881) 6.758 18.115 ( 5.887 3.972 -0.841) 7.151 18.294 ( -3.567 -2.724 0.727) 4.547 18.507 ( 6.661 -6.680 3.336) 10.006 18.681 ( 12.223 -8.198 -0.765) 14.738 19.059 ( 2.675 11.567 -7.171) 13.870 19.331 ( 0.087 0.797 -2.377) 2.509 21.966 ( -12.791 5.554 1.328) 14.008 22.029 ( -10.563 2.569 -1.654) 10.996 22.255 ( -1.852 1.532 -0.738) 2.514 22.450 ( -5.312 -5.951 -0.033) 7.977 27.422 ( 1.836 4.066 -0.846) 4.541 27.556 ( 11.320 -4.448 -1.890) 12.308 27.766 ( 9.015 -5.041 -0.300) 10.333 27.844 ( 16.490 -8.968 0.170) 18.772 29.891 ( 0.196 2.525 0.120) 2.536 29.935 ( -0.781 0.713 -0.391) 1.127 30.094 ( 5.354 0.925 1.664) 5.682 30.171 ( 3.237 -2.414 -0.244) 4.045 31.102 ( -0.111 2.641 -0.056) 2.644 31.172 ( -1.146 -0.221 -1.827) 2.168 31.725 ( -2.421 3.129 -1.522) 4.239 31.769 ( -0.739 0.600 -0.837) 1.267 32.182 ( -0.420 4.288 0.314) 4.320 32.239 ( 0.839 1.477 -2.499) 3.022 32.498 ( 4.084 0.358 1.580) 4.394 32.537 ( 4.231 -1.307 5.311) 6.915 32.886 ( 1.776 6.368 1.274) 6.732 33.196 ( -0.047 -6.446 1.040) 6.529 33.772 ( -3.172 6.271 -0.513) 7.047 33.913 ( -0.697 1.834 -0.951) 2.180 34.114 ( 2.031 3.188 1.293) 3.995 34.235 ( 2.562 -2.979 1.277) 4.131 34.453 ( 1.077 1.271 -1.289) 2.106 34.758 ( 2.514 -10.412 -1.127) 10.771 35.840 ( -5.641 4.973 5.521) 9.329 36.112 ( -0.812 -6.010 -2.552) 6.580 37.113 ( -8.445 3.200 -1.036) 9.090 37.331 ( -10.002 -5.077 0.540) 11.230 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 3.871 11.316 -0.036) 11.960 2.481 ( -2.211 -1.067 -0.282) 2.471 2.592 ( 7.142 8.515 8.612) 14.060 2.667 ( 0.580 0.328 1.983) 2.092 2.912 ( 6.416 14.956 7.203) 17.797 2.977 ( 8.388 11.609 5.471) 15.332 3.204 ( 6.114 7.118 11.144) 14.568 3.277 ( 5.398 1.956 1.426) 5.916 3.714 ( 7.160 4.390 4.210) 9.394 3.796 ( -3.125 -2.705 1.632) 4.444 3.958 ( 10.791 9.986 -3.661) 15.151 4.165 ( 15.947 -1.687 7.140) 17.554 4.348 ( 1.534 8.748 -16.409) 18.659 4.507 ( 15.880 -4.764 3.318) 16.908 4.553 ( 11.518 -8.427 2.452) 14.481 4.784 ( -1.523 -5.333 -5.638) 7.909 4.801 ( -0.673 14.467 7.650) 16.379 4.892 ( 7.863 -4.513 -2.242) 9.339 5.074 ( 8.427 -2.648 1.305) 8.929 5.102 ( -1.928 -8.911 5.240) 10.516 5.159 ( 22.100 -3.451 13.437) 26.093 5.417 ( 7.829 -0.711 -0.007) 7.861 5.462 ( 3.055 0.041 2.321) 3.837 5.546 ( -4.133 -4.052 -1.929) 6.101 5.753 ( -5.681 6.975 1.059) 9.058 5.881 ( -8.820 2.247 5.907) 10.851 6.046 ( 3.262 -1.975 -7.784) 8.668 6.197 ( -0.629 0.970 -10.650) 10.713 6.273 ( -5.556 -1.053 -11.207) 12.553 6.337 ( 0.523 -1.066 -6.378) 6.488 6.513 ( -8.770 -4.579 -8.378) 12.964 6.580 ( 4.187 -12.144 -13.642) 18.738 6.855 ( 1.649 0.838 8.124) 8.332 7.009 ( -2.343 1.417 -6.806) 7.336 7.181 ( -2.652 1.107 3.617) 4.620 7.411 ( 0.035 -6.401 -1.912) 6.681 7.562 ( -4.456 3.883 -8.230) 10.132 7.641 ( -2.678 7.312 -2.317) 8.125 7.828 ( -0.923 -0.662 -4.648) 4.784 7.964 ( 1.839 2.769 4.895) 5.917 8.055 ( -2.987 -2.163 -1.937) 4.166 8.170 ( -0.633 -2.031 -3.742) 4.305 8.371 ( -2.566 2.718 5.095) 6.319 8.551 ( -1.906 -2.848 4.015) 5.278 8.605 ( 2.866 -0.613 -2.379) 3.775 8.764 ( -2.314 -5.313 5.342) 7.882 9.068 ( -9.628 -1.092 0.300) 9.694 9.134 ( 2.306 -0.622 -0.322) 2.410 9.191 ( 0.966 -1.134 10.010) 10.120 9.291 ( 4.654 5.204 0.734) 7.020 9.568 ( -1.604 -10.242 1.332) 10.452 9.854 ( -3.333 -11.870 4.898) 13.267 9.974 ( 0.665 0.624 -3.998) 4.100 10.044 ( -3.142 -2.974 2.521) 5.007 10.516 ( -7.120 4.145 -1.509) 8.376 10.638 ( -10.883 -1.049 -4.600) 11.862 10.736 ( -2.323 8.288 1.073) 8.673 10.942 ( -4.349 -3.120 -3.021) 6.146 11.053 ( 0.181 3.820 -4.327) 5.775 11.117 ( 1.238 10.841 0.386) 10.918 11.254 ( 8.004 4.988 -2.977) 9.889 11.304 ( -2.785 6.817 10.755) 13.034 11.569 ( -3.103 -2.012 11.858) 12.422 11.934 ( -2.259 -0.822 7.479) 7.856 11.993 ( 6.334 1.395 1.431) 6.642 12.064 ( -1.071 -0.806 -3.220) 3.488 12.199 ( -7.032 0.922 5.808) 9.167 12.454 ( -9.978 0.352 9.236) 13.601 12.816 ( -3.366 -2.587 2.109) 4.740 13.003 ( 2.886 -18.399 4.945) 19.269 13.137 ( -4.192 2.936 -1.333) 5.289 13.237 ( 0.099 -0.022 5.640) 5.641 13.365 ( -2.507 0.146 -9.281) 9.615 13.488 ( -0.826 -6.969 -8.761) 11.225 13.686 ( -10.420 4.110 -4.891) 12.222 13.951 ( -8.887 -5.641 -17.198) 20.164 14.474 ( -3.068 7.653 -0.172) 8.247 14.728 ( -5.786 -0.693 1.735) 6.080 14.828 ( -0.188 -3.714 -1.810) 4.136 14.936 ( -6.326 -5.345 2.999) 8.808 15.419 ( 6.473 1.666 -4.147) 7.866 15.500 ( -1.361 -2.277 -3.218) 4.170 15.690 ( 11.955 0.996 -2.513) 12.257 15.896 ( 14.849 -2.324 3.341) 15.397 16.343 ( 10.113 3.115 -2.511) 10.875 16.492 ( 5.931 -5.686 -2.366) 8.550 16.676 ( -0.119 1.849 -4.741) 5.090 16.862 ( 3.765 -4.673 -3.420) 6.907 16.979 ( -0.463 -0.590 8.529) 8.562 17.020 ( -1.734 -0.837 4.005) 4.444 17.155 ( 4.614 5.963 2.715) 8.014 17.425 ( 2.361 -4.451 3.406) 6.081 17.778 ( -1.215 5.786 0.429) 5.928 17.999 ( -5.453 -1.018 1.445) 5.732 18.221 ( 3.890 4.950 7.247) 9.599 18.384 ( 3.982 0.992 5.893) 7.181 18.618 ( 4.288 1.445 2.059) 4.972 18.786 ( 0.189 -3.297 -6.483) 7.276 19.086 ( 7.492 8.012 -11.966) 16.233 19.394 ( 8.510 -2.134 -1.893) 8.976 21.696 ( -13.308 4.956 2.139) 14.361 21.792 ( -12.012 0.637 -0.594) 12.044 22.201 ( -2.450 1.228 -1.022) 2.925 22.331 ( -5.700 -3.996 -0.444) 6.975 27.468 ( 3.143 2.898 -0.829) 4.355 27.658 ( 3.690 -6.573 -4.529) 8.794 27.961 ( 10.041 -1.130 -0.622) 10.123 28.230 ( 17.147 -15.240 -0.389) 22.944 29.896 ( 0.523 1.189 0.032) 1.300 29.936 ( 0.346 0.206 0.120) 0.420 30.192 ( 3.598 0.910 -0.213) 3.717 30.270 ( 5.666 -1.934 1.664) 6.214 31.100 ( -0.085 3.044 -0.158) 3.049 31.133 ( -1.127 3.406 -1.740) 3.987 31.660 ( -2.514 3.510 -1.669) 4.629 31.741 ( -1.283 0.010 -0.497) 1.376 32.181 ( -0.078 4.224 0.510) 4.256 32.240 ( 1.213 1.561 -2.527) 3.209 32.597 ( 4.726 4.655 -1.676) 6.841 32.672 ( 4.763 0.166 5.362) 7.174 32.967 ( 3.417 3.926 6.291) 8.165 33.211 ( -0.200 -5.740 3.231) 6.590 33.671 ( -5.040 4.420 -3.471) 7.549 33.869 ( -2.803 -1.685 -1.224) 3.493 34.187 ( 4.887 6.584 -0.318) 8.206 34.308 ( 2.348 -0.701 3.230) 4.054 34.478 ( 2.771 1.598 -2.209) 3.887 34.803 ( 2.543 -7.993 -1.203) 8.474 35.780 ( -4.616 2.022 6.364) 8.118 36.061 ( -1.973 -8.661 -2.806) 9.315 36.892 ( -10.936 4.477 -1.314) 11.890 37.156 ( -8.054 -5.947 1.622) 10.142 ======================= Grid point 17 (12/88) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 1.738 1.230 0.758) 2.260 2.408 ( -2.316 -3.221 -1.029) 4.098 2.677 ( -0.022 0.741 0.719) 1.033 2.693 ( 0.386 1.273 2.055) 2.448 3.024 ( -0.944 13.413 6.782) 15.060 3.157 ( 5.034 5.118 3.667) 8.061 3.419 ( 3.342 -0.006 9.625) 10.189 3.458 ( 10.299 13.291 -5.182) 17.594 3.653 ( -4.734 -2.501 -0.973) 5.442 3.889 ( 3.192 15.987 1.066) 16.337 4.043 ( 6.152 16.114 -1.688) 17.331 4.233 ( -0.676 -1.303 -7.127) 7.277 4.506 ( 6.961 -5.856 1.018) 9.153 4.626 ( 0.724 -0.170 -4.071) 4.138 4.635 ( -4.056 4.054 4.565) 7.330 4.759 ( 0.194 -6.344 1.012) 6.427 4.940 ( 4.588 -6.359 -1.273) 7.943 4.987 ( 1.176 -0.173 1.095) 1.616 5.062 ( -1.202 2.355 0.438) 2.680 5.218 ( -1.382 6.098 6.236) 8.831 5.271 ( 0.531 -2.696 -7.008) 7.527 5.555 ( 2.821 1.086 16.490) 16.764 5.637 ( 6.425 2.712 -3.625) 7.859 5.702 ( -1.619 0.621 -1.734) 2.452 5.743 ( 3.308 -1.200 2.769) 4.478 5.922 ( 13.720 1.049 -2.266) 13.945 6.017 ( 4.990 -9.699 8.256) 13.679 6.203 ( -0.295 1.362 -3.915) 4.155 6.271 ( -0.273 5.875 -2.774) 6.503 6.299 ( 9.757 -3.039 -8.360) 13.203 6.391 ( 0.836 -11.861 0.611) 11.906 6.485 ( -4.103 -9.876 -12.778) 16.663 6.917 ( -0.578 1.067 0.164) 1.225 6.955 ( -0.460 5.981 5.613) 8.215 7.091 ( -4.289 -6.463 -2.171) 8.055 7.296 ( -6.552 -5.356 -3.621) 9.204 7.415 ( -3.490 1.324 -4.345) 5.728 7.452 ( -7.442 -0.779 -4.005) 8.487 7.828 ( 1.400 3.885 -0.572) 4.169 7.954 ( -4.867 0.107 -0.868) 4.945 8.053 ( 2.152 5.007 1.790) 5.736 8.183 ( 2.739 -2.290 -1.247) 3.782 8.354 ( -1.702 4.631 2.541) 5.550 8.531 ( -1.917 -3.383 2.132) 4.435 8.640 ( 0.971 -3.221 -0.747) 3.446 8.756 ( -0.710 -5.842 1.201) 6.007 8.918 ( -4.425 0.652 1.234) 4.640 9.133 ( -0.773 2.407 -0.214) 2.537 9.307 ( 2.395 -3.626 6.927) 8.177 9.372 ( 2.513 -2.467 -2.899) 4.561 9.567 ( -0.112 -1.837 2.959) 3.484 9.830 ( -1.477 -7.062 2.708) 7.706 9.907 ( -2.953 2.171 -3.212) 4.873 9.994 ( -2.448 -4.853 0.165) 5.438 10.407 ( -3.038 0.689 1.203) 3.339 10.429 ( -4.438 -0.969 -4.696) 6.534 10.711 ( -0.738 4.913 0.562) 4.999 10.857 ( -2.080 -5.343 -0.706) 5.777 11.086 ( 2.964 5.151 -1.544) 6.140 11.144 ( 0.990 13.023 -0.220) 13.063 11.375 ( 0.827 7.259 9.975) 12.364 11.386 ( 5.636 7.752 -2.195) 9.832 11.556 ( -2.963 2.337 -0.439) 3.799 11.920 ( -2.437 3.598 5.307) 6.859 12.013 ( -4.196 2.086 3.790) 6.027 12.037 ( 0.377 -12.990 -3.154) 13.373 12.196 ( 2.123 0.643 1.570) 2.718 12.378 ( -3.774 3.518 4.184) 6.643 12.750 ( -2.285 -0.638 -0.585) 2.443 12.957 ( -4.436 -3.882 -1.174) 6.010 13.145 ( 1.650 -8.758 0.177) 8.914 13.318 ( 1.030 -4.077 0.448) 4.229 13.357 ( 5.494 -4.353 7.166) 10.024 13.419 ( -0.278 -5.228 -1.439) 5.430 13.504 ( -4.691 -1.840 -4.413) 6.698 13.655 ( -7.413 -5.785 -14.837) 17.566 14.429 ( -1.194 9.347 -0.092) 9.423 14.677 ( -0.266 -1.661 0.721) 1.830 14.791 ( -2.691 -3.438 -0.542) 4.400 14.877 ( -1.021 -7.886 0.773) 7.990 15.450 ( -0.121 -0.357 -0.655) 0.755 15.505 ( 1.978 -1.090 -0.842) 2.410 15.859 ( 4.944 5.378 -0.248) 7.310 16.225 ( 13.310 -1.446 4.606) 14.158 16.428 ( -1.146 1.025 -5.069) 5.297 16.570 ( 2.517 -1.856 -0.743) 3.214 16.679 ( 5.529 3.662 -2.788) 7.194 16.845 ( -4.900 -3.636 1.926) 6.398 16.943 ( -2.962 -2.574 0.118) 3.926 17.027 ( -0.561 -4.700 1.472) 4.957 17.225 ( 1.170 6.479 0.431) 6.597 17.475 ( 1.081 -4.382 0.808) 4.585 17.767 ( -0.047 2.159 0.421) 2.200 17.930 ( -2.968 -1.083 2.160) 3.828 18.353 ( 3.696 7.989 6.884) 11.175 18.494 ( 1.924 0.213 7.441) 7.688 18.594 ( -4.257 3.120 -8.628) 10.114 18.744 ( 0.536 -4.779 -1.718) 5.107 19.141 ( 4.533 14.796 -6.181) 16.664 19.556 ( 6.076 -1.732 -0.464) 6.335 21.521 ( -5.238 1.825 1.248) 5.685 21.595 ( -6.049 -1.166 -0.134) 6.162 22.158 ( -1.071 1.121 -0.464) 1.618 22.245 ( -2.307 -2.266 -0.349) 3.253 27.516 ( 1.600 2.043 -0.142) 2.599 27.672 ( 1.005 -5.628 -2.420) 6.208 28.103 ( 3.970 0.601 -0.142) 4.017 28.452 ( 5.695 -16.063 -0.580) 17.053 29.913 ( 0.870 0.276 0.308) 0.963 29.936 ( -0.345 -0.499 -0.231) 0.649 30.239 ( 1.376 2.276 -0.266) 2.673 30.373 ( 2.694 -2.867 0.992) 4.057 31.097 ( 0.038 3.558 -0.152) 3.561 31.107 ( -0.486 5.759 -0.582) 5.808 31.612 ( -1.094 3.618 -0.708) 3.845 31.719 ( -0.600 -0.363 -0.101) 0.708 32.184 ( 0.039 4.318 0.206) 4.323 32.244 ( 0.531 1.631 -1.007) 1.989 32.642 ( 1.595 8.114 -1.808) 8.464 32.785 ( 2.666 0.221 2.133) 3.421 33.087 ( 2.471 1.161 5.152) 5.830 33.231 ( -0.240 -3.745 2.298) 4.401 33.552 ( -3.081 3.753 -3.013) 5.715 33.807 ( -1.614 -5.919 -1.317) 6.275 34.269 ( 2.917 9.788 -0.943) 10.257 34.360 ( 0.451 0.202 2.382) 2.433 34.518 ( 1.983 1.180 -1.049) 2.535 34.828 ( 0.672 -4.318 -0.593) 4.410 35.760 ( -1.293 -1.036 2.804) 3.257 36.008 ( -1.207 -11.082 -1.314) 11.224 36.722 ( -4.649 5.339 -0.463) 7.095 37.050 ( -3.211 -7.819 0.745) 8.485 ======================= Grid point 21 (13/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.000 -10.392 0.000) 10.392 2.318 ( 0.000 10.392 0.000) 10.392 2.585 ( 0.000 -0.488 0.000) 0.488 2.585 ( 0.000 0.488 0.000) 0.488 2.869 ( 0.000 -23.528 0.000) 23.528 2.869 ( 0.000 23.528 0.000) 23.528 3.260 ( 0.000 -26.855 0.000) 26.855 3.260 ( 0.000 26.855 0.000) 26.855 3.296 ( 0.000 -4.339 0.000) 4.339 3.296 ( 0.000 4.339 0.000) 4.339 3.710 ( 0.000 -9.292 0.000) 9.292 3.710 ( 0.000 9.292 0.000) 9.292 3.990 ( 0.000 -7.686 0.000) 7.686 3.990 ( 0.000 7.686 0.000) 7.686 4.406 ( 0.000 -5.555 0.000) 5.555 4.406 ( 0.000 5.555 0.000) 5.555 4.692 ( 0.000 -4.220 0.000) 4.220 4.692 ( 0.000 4.220 0.000) 4.220 4.971 ( 0.000 -4.323 0.000) 4.323 4.971 ( 0.000 4.323 0.000) 4.323 5.151 ( 0.000 -8.933 0.000) 8.933 5.151 ( 0.000 8.933 0.000) 8.933 5.562 ( 0.000 -11.453 0.000) 11.453 5.562 ( 0.000 11.453 0.000) 11.453 5.949 ( 0.000 -0.222 0.000) 0.222 5.949 ( 0.000 0.222 0.000) 0.222 6.252 ( 0.000 -4.175 0.000) 4.175 6.252 ( 0.000 4.175 0.000) 4.175 6.693 ( 0.000 -6.883 0.000) 6.883 6.693 ( 0.000 6.883 0.000) 6.883 6.759 ( 0.000 -5.284 0.000) 5.284 6.759 ( 0.000 5.284 0.000) 5.284 6.868 ( 0.000 -0.323 0.000) 0.323 6.868 ( 0.000 0.323 0.000) 0.323 7.283 ( 0.000 -2.651 0.000) 2.651 7.283 ( 0.000 2.651 0.000) 2.651 7.525 ( 0.000 -9.135 0.000) 9.135 7.525 ( 0.000 9.135 0.000) 9.135 7.946 ( 0.000 -0.171 0.000) 0.171 7.946 ( 0.000 0.171 0.000) 0.171 8.252 ( 0.000 -5.938 0.000) 5.938 8.252 ( 0.000 5.938 0.000) 5.938 8.387 ( 0.000 -8.222 0.000) 8.222 8.387 ( 0.000 8.222 0.000) 8.222 8.637 ( 0.000 -7.059 0.000) 7.059 8.637 ( 0.000 7.059 0.000) 7.059 9.049 ( 0.000 -7.504 0.000) 7.504 9.049 ( 0.000 7.504 0.000) 7.504 9.293 ( 0.000 -5.734 0.000) 5.734 9.293 ( 0.000 5.734 0.000) 5.734 9.428 ( 0.000 -4.864 0.000) 4.864 9.428 ( 0.000 4.864 0.000) 4.864 10.069 ( 0.000 -3.619 0.000) 3.619 10.069 ( 0.000 3.619 0.000) 3.619 10.808 ( 0.000 -0.294 0.000) 0.294 10.808 ( 0.000 0.294 0.000) 0.294 10.985 ( 0.000 -6.185 0.000) 6.185 10.985 ( 0.000 6.185 0.000) 6.185 11.281 ( 0.000 -2.664 0.000) 2.664 11.281 ( 0.000 2.664 0.000) 2.664 11.414 ( 0.000 -0.444 0.000) 0.444 11.414 ( 0.000 0.444 0.000) 0.444 11.532 ( 0.000 -4.968 0.000) 4.968 11.532 ( 0.000 4.968 0.000) 4.968 12.045 ( 0.000 -25.650 0.000) 25.650 12.045 ( 0.000 25.650 0.000) 25.650 12.325 ( 0.000 -0.346 0.000) 0.346 12.325 ( 0.000 0.346 0.000) 0.346 12.877 ( 0.000 -0.110 0.000) 0.110 12.877 ( 0.000 0.110 0.000) 0.110 13.243 ( 0.000 -4.604 0.000) 4.604 13.243 ( 0.000 4.604 0.000) 4.604 13.553 ( 0.000 -0.640 0.000) 0.640 13.553 ( 0.000 0.640 0.000) 0.640 14.423 ( 0.000 -5.545 0.000) 5.545 14.423 ( 0.000 5.545 0.000) 5.545 14.692 ( 0.000 -0.031 0.000) 0.031 14.692 ( 0.000 0.031 0.000) 0.031 15.105 ( 0.000 -6.380 0.000) 6.380 15.105 ( 0.000 6.380 0.000) 6.380 15.146 ( 0.000 -5.944 0.000) 5.944 15.146 ( 0.000 5.944 0.000) 5.944 15.818 ( 0.000 -2.475 0.000) 2.475 15.818 ( 0.000 2.475 0.000) 2.475 15.961 ( 0.000 -1.380 0.000) 1.380 15.961 ( 0.000 1.380 0.000) 1.380 16.669 ( 0.000 -2.342 0.000) 2.342 16.669 ( 0.000 2.342 0.000) 2.342 16.859 ( 0.000 -1.001 0.000) 1.001 16.859 ( 0.000 1.001 0.000) 1.001 17.071 ( 0.000 -6.943 0.000) 6.943 17.071 ( 0.000 6.943 0.000) 6.943 18.014 ( 0.000 -7.760 0.000) 7.760 18.014 ( 0.000 7.760 0.000) 7.760 18.286 ( 0.000 -1.560 0.000) 1.560 18.286 ( 0.000 1.560 0.000) 1.560 18.330 ( 0.000 -4.305 0.000) 4.305 18.330 ( 0.000 4.305 0.000) 4.305 19.299 ( 0.000 -6.764 0.000) 6.764 19.299 ( 0.000 6.764 0.000) 6.764 22.163 ( 0.000 -2.616 0.000) 2.616 22.163 ( 0.000 2.616 0.000) 2.616 22.368 ( 0.000 -5.998 0.000) 5.998 22.368 ( 0.000 5.998 0.000) 5.998 27.490 ( 0.000 -6.670 0.000) 6.670 27.490 ( 0.000 6.670 0.000) 6.670 27.554 ( 0.000 -7.614 0.000) 7.614 27.554 ( 0.000 7.614 0.000) 7.614 29.948 ( 0.000 -2.195 0.000) 2.195 29.948 ( 0.000 2.195 0.000) 2.195 30.066 ( 0.000 -3.513 0.000) 3.513 30.066 ( 0.000 3.513 0.000) 3.513 31.151 ( 0.000 -1.920 0.000) 1.920 31.151 ( 0.000 1.920 0.000) 1.920 31.791 ( 0.000 -0.010 0.000) 0.010 31.791 ( 0.000 0.010 0.000) 0.010 32.254 ( 0.000 -1.054 0.000) 1.054 32.254 ( 0.000 1.054 0.000) 1.054 32.434 ( 0.000 -0.424 0.000) 0.424 32.434 ( 0.000 0.424 0.000) 0.424 33.027 ( 0.000 -8.100 0.000) 8.100 33.027 ( 0.000 8.100 0.000) 8.100 33.928 ( 0.000 -2.667 0.000) 2.667 33.928 ( 0.000 2.667 0.000) 2.667 34.132 ( 0.000 -2.957 0.000) 2.957 34.132 ( 0.000 2.957 0.000) 2.957 34.530 ( 0.000 -7.195 0.000) 7.195 34.530 ( 0.000 7.195 0.000) 7.195 36.009 ( 0.000 -6.088 0.000) 6.088 36.009 ( 0.000 6.088 0.000) 6.088 37.303 ( 0.000 -6.164 0.000) 6.164 37.303 ( 0.000 6.164 0.000) 6.164 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 3.414 -5.684 -0.965) 6.700 2.403 ( 3.414 5.684 -0.965) 6.700 2.584 ( 1.019 -5.822 3.008) 6.632 2.584 ( 1.019 5.822 3.008) 6.632 3.025 ( 11.040 -20.581 1.348) 23.394 3.025 ( 11.040 20.581 1.348) 23.394 3.255 ( -1.813 -2.934 3.628) 5.006 3.255 ( -1.813 2.934 3.628) 5.006 3.425 ( 11.293 -23.255 9.019) 27.380 3.425 ( 11.293 23.255 9.019) 27.380 3.795 ( 5.999 -7.108 5.133) 10.623 3.795 ( 5.999 7.108 5.133) 10.623 4.153 ( 12.865 -6.953 5.193) 15.518 4.153 ( 12.865 6.953 5.193) 15.518 4.485 ( 9.255 -8.483 -2.596) 12.820 4.485 ( 9.255 8.483 -2.596) 12.820 4.728 ( 6.296 -4.375 -5.293) 9.316 4.728 ( 6.296 4.375 -5.293) 9.316 4.979 ( 1.900 -2.501 -4.550) 5.529 4.979 ( 1.900 2.501 -4.550) 5.529 5.178 ( 1.342 -8.081 5.206) 9.706 5.178 ( 1.342 8.081 5.206) 9.706 5.498 ( -6.197 -9.546 2.094) 11.572 5.498 ( -6.197 9.546 2.094) 11.572 5.933 ( -2.785 -1.847 2.328) 4.073 5.933 ( -2.785 1.847 2.328) 4.073 6.266 ( 2.598 -2.832 -6.025) 7.146 6.266 ( 2.598 2.832 -6.025) 7.146 6.469 ( -8.330 -6.153 -13.861) 17.303 6.469 ( -8.330 6.153 -13.861) 17.303 6.664 ( -12.305 -8.827 -4.402) 15.770 6.664 ( -12.305 8.827 -4.402) 15.770 6.884 ( 3.936 -6.591 -1.315) 7.788 6.884 ( 3.936 6.591 -1.315) 7.788 7.291 ( 0.337 -5.317 -1.546) 5.548 7.291 ( 0.337 5.317 -1.546) 5.548 7.660 ( 8.508 -4.357 4.492) 10.562 7.660 ( 8.508 4.357 4.492) 10.562 7.891 ( -2.740 -4.469 -5.762) 7.790 7.891 ( -2.740 4.469 -5.762) 7.790 8.196 ( -4.542 -1.519 0.402) 4.806 8.196 ( -4.542 1.519 0.402) 4.806 8.418 ( 0.124 -5.771 4.825) 7.524 8.418 ( 0.124 5.771 4.825) 7.524 8.648 ( -0.030 -5.099 1.993) 5.475 8.648 ( -0.030 5.099 1.993) 5.475 9.096 ( 2.363 -5.093 2.658) 6.212 9.096 ( 2.363 5.093 2.658) 6.212 9.279 ( -2.318 -5.784 -2.257) 6.628 9.279 ( -2.318 5.784 -2.257) 6.628 9.460 ( 2.773 -11.434 6.127) 13.265 9.460 ( 2.773 11.434 6.127) 13.265 10.039 ( -2.452 -2.642 -0.166) 3.608 10.039 ( -2.452 2.642 -0.166) 3.608 10.757 ( -4.266 -3.726 -3.061) 6.438 10.757 ( -4.266 3.726 -3.061) 6.438 10.974 ( -3.353 -6.000 3.219) 7.590 10.974 ( -3.353 6.000 3.219) 7.590 11.243 ( -5.699 -0.863 -6.206) 8.470 11.243 ( -5.699 0.863 -6.206) 8.470 11.310 ( -0.225 -7.321 3.569) 8.147 11.310 ( -0.225 7.321 3.569) 8.147 11.641 ( 3.450 -9.192 4.035) 10.615 11.641 ( 3.450 9.192 4.035) 10.615 12.070 ( 0.940 -20.826 3.826) 21.195 12.070 ( 0.940 20.826 3.826) 21.195 12.292 ( -3.997 -2.649 3.142) 5.733 12.292 ( -3.997 2.649 3.142) 5.733 12.843 ( -3.315 -3.492 1.785) 5.135 12.843 ( -3.315 3.492 1.785) 5.135 13.242 ( -1.389 -3.429 2.513) 4.473 13.242 ( -1.389 3.429 2.513) 4.473 13.502 ( -2.666 -0.513 -6.135) 6.709 13.502 ( -2.666 0.513 -6.135) 6.709 14.177 ( -16.579 -4.697 -6.591) 18.449 14.177 ( -16.579 4.697 -6.591) 18.449 14.679 ( -0.219 -6.218 -4.165) 7.487 14.679 ( -0.219 6.218 -4.165) 7.487 14.983 ( -9.943 -2.772 3.447) 10.882 14.983 ( -9.943 2.772 3.447) 10.882 15.336 ( 14.228 -2.798 -4.227) 15.104 15.336 ( 14.228 2.798 -4.227) 15.104 15.624 ( -1.034 -2.489 -6.435) 6.976 15.624 ( -1.034 2.489 -6.435) 6.976 16.221 ( 11.096 -6.144 1.208) 12.741 16.221 ( 11.096 6.144 1.208) 12.741 16.747 ( 3.388 -3.009 -4.249) 6.212 16.747 ( 3.388 3.009 -4.249) 6.212 16.898 ( 3.540 -3.719 9.292) 10.616 16.898 ( 3.540 3.719 9.292) 10.616 17.168 ( 5.370 -7.356 5.115) 10.446 17.168 ( 5.370 7.356 5.115) 10.446 18.005 ( -1.915 -9.046 -2.999) 9.721 18.005 ( -1.915 9.046 -2.999) 9.721 18.209 ( 0.997 -5.780 2.018) 6.203 18.209 ( 0.997 5.780 2.018) 6.203 18.521 ( 10.080 -6.528 3.035) 12.387 18.521 ( 10.080 6.528 3.035) 12.387 19.270 ( -0.174 -6.668 -4.608) 8.107 19.270 ( -0.174 6.668 -4.608) 8.107 22.044 ( -11.394 -1.509 0.233) 11.496 22.044 ( -11.394 1.509 0.233) 11.496 22.325 ( -3.446 -5.007 -0.312) 6.086 22.325 ( -3.446 5.007 -0.312) 6.086 27.503 ( 2.030 -2.608 -0.854) 3.413 27.503 ( 2.030 2.608 -0.854) 3.413 27.716 ( 13.883 -1.942 0.164) 14.019 27.716 ( 13.883 1.942 0.164) 14.019 29.934 ( -0.649 -1.082 -0.423) 1.331 29.934 ( -0.649 1.082 -0.423) 1.331 30.121 ( 4.319 -1.823 1.042) 4.802 30.121 ( 4.319 1.823 1.042) 4.802 31.150 ( 0.013 -1.675 -0.198) 1.686 31.150 ( 0.013 1.675 -0.198) 1.686 31.769 ( -1.574 -0.925 -1.149) 2.157 31.769 ( -1.574 0.925 -1.149) 2.157 32.247 ( 0.236 -1.245 -1.341) 1.845 32.247 ( 0.236 1.245 -1.341) 1.845 32.509 ( 4.720 -0.907 4.906) 6.868 32.509 ( 4.720 0.907 4.906) 6.868 33.040 ( 0.963 -7.607 0.826) 7.712 33.040 ( 0.963 7.607 0.826) 7.712 33.894 ( -3.378 -3.948 -1.023) 5.296 33.894 ( -3.378 3.948 -1.023) 5.296 34.173 ( 4.397 -2.706 -0.440) 5.182 34.173 ( 4.397 2.706 -0.440) 5.182 34.549 ( 2.116 -7.707 -0.531) 8.010 34.549 ( 2.116 7.707 -0.531) 8.010 35.972 ( -3.677 -6.695 0.353) 7.647 35.972 ( -3.677 6.695 0.353) 7.647 37.208 ( -8.658 -5.494 -0.033) 10.254 37.208 ( -8.658 5.494 -0.033) 10.254 ======================= Grid point 25 (15/88) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -2.331 -6.977 -2.916) 7.913 2.374 ( -2.331 6.977 -2.916) 7.913 2.660 ( 1.436 -0.709 4.275) 4.565 2.660 ( 1.436 0.709 4.275) 4.565 3.164 ( 2.463 -5.402 4.998) 7.761 3.164 ( 2.463 5.402 4.998) 7.761 3.355 ( 4.477 -16.651 5.137) 17.992 3.355 ( 4.477 16.651 5.137) 17.992 3.704 ( 10.896 -15.898 2.811) 19.477 3.704 ( 10.896 15.898 2.811) 19.477 4.034 ( 11.585 -5.592 7.340) 14.811 4.034 ( 11.585 5.592 7.340) 14.811 4.423 ( 8.745 -5.958 -5.266) 11.820 4.423 ( 8.745 5.958 -5.266) 11.820 4.678 ( 8.418 -7.110 -2.314) 11.259 4.678 ( 8.418 7.110 -2.314) 11.259 4.868 ( 3.712 -5.967 1.219) 7.133 4.868 ( 3.712 5.967 1.219) 7.133 5.048 ( 10.952 -2.391 3.861) 11.856 5.048 ( 10.952 2.391 3.861) 11.856 5.263 ( 4.731 -10.993 5.064) 12.995 5.263 ( 4.731 10.993 5.064) 12.995 5.480 ( 5.751 -2.932 5.209) 8.295 5.480 ( 5.751 2.932 5.209) 8.295 5.866 ( -6.062 -3.591 1.648) 7.237 5.866 ( -6.062 3.592 1.648) 7.237 6.179 ( -4.391 -10.973 -8.430) 14.517 6.179 ( -4.391 10.973 -8.430) 14.517 6.252 ( -5.514 -6.482 -11.229) 14.090 6.252 ( -5.514 6.482 -11.229) 14.090 6.418 ( -1.289 -0.819 -10.909) 11.016 6.418 ( -1.289 0.819 -10.909) 11.016 6.941 ( 2.042 -5.947 -1.063) 6.377 6.941 ( 2.042 5.947 -1.063) 6.377 7.269 ( -2.881 -6.215 1.213) 6.956 7.269 ( -2.881 6.215 1.213) 6.956 7.663 ( -5.665 -4.638 -10.987) 13.203 7.663 ( -5.665 4.638 -10.987) 13.203 7.901 ( 2.756 -6.035 4.182) 7.842 7.901 ( 2.756 6.035 4.182) 7.842 8.112 ( -2.179 -3.731 -1.108) 4.460 8.112 ( -2.179 3.731 -1.108) 4.460 8.444 ( -1.414 -4.834 4.343) 6.650 8.444 ( -1.414 4.834 4.343) 6.650 8.657 ( -0.931 -4.384 2.254) 5.017 8.657 ( -0.931 4.384 2.254) 5.017 9.116 ( -3.951 -2.132 3.146) 5.482 9.116 ( -3.951 2.132 3.146) 5.482 9.228 ( 0.910 -6.759 -0.131) 6.821 9.228 ( 0.910 6.759 -0.131) 6.821 9.591 ( 3.063 -10.924 7.095) 13.381 9.591 ( 3.063 10.924 7.095) 13.381 9.990 ( -2.500 -1.281 -0.277) 2.823 9.990 ( -2.500 1.281 -0.277) 2.823 10.590 ( -8.610 -2.990 -4.638) 10.227 10.590 ( -8.610 2.990 -4.638) 10.227 10.856 ( -6.540 -4.249 -2.096) 8.076 10.856 ( -6.540 4.249 -2.096) 8.076 11.195 ( 1.148 -7.281 3.592) 8.200 11.195 ( 1.148 7.281 3.592) 8.200 11.374 ( 3.774 -6.821 3.609) 8.590 11.374 ( 3.774 6.821 3.609) 8.590 11.695 ( -0.658 -13.203 3.157) 13.591 11.695 ( -0.658 13.203 3.157) 13.591 12.084 ( -3.519 -7.800 2.277) 8.854 12.084 ( -3.519 7.800 2.277) 8.854 12.275 ( -0.034 -10.147 5.635) 11.607 12.275 ( -0.034 10.147 5.635) 11.607 12.804 ( -2.666 -3.500 3.251) 5.471 12.804 ( -2.666 3.500 3.251) 5.471 13.222 ( -3.162 -3.608 4.095) 6.308 13.222 ( -3.162 3.608 4.095) 6.308 13.375 ( -1.745 -2.954 -11.022) 11.543 13.375 ( -1.745 2.954 -11.022) 11.543 13.809 ( -12.054 -6.908 -11.667) 18.142 13.809 ( -12.054 6.908 -11.667) 18.142 14.638 ( -0.662 -7.129 -2.282) 7.515 14.638 ( -0.662 7.129 -2.282) 7.515 14.829 ( -7.181 -3.703 2.146) 8.360 14.829 ( -7.181 3.703 2.146) 8.360 15.463 ( 2.732 -1.857 -3.266) 4.646 15.463 ( 2.732 1.857 -3.266) 4.646 15.776 ( 14.017 -6.619 2.581) 15.714 15.776 ( 14.017 6.619 2.581) 15.714 16.403 ( 8.915 -2.963 -3.777) 10.125 16.403 ( 8.915 2.963 -3.777) 10.125 16.750 ( 2.942 -4.643 -6.606) 8.594 16.750 ( 2.942 4.643 -6.606) 8.594 16.998 ( -3.002 -1.234 8.416) 9.020 16.998 ( -3.002 1.234 8.416) 9.020 17.299 ( 3.636 -6.703 3.924) 8.576 17.299 ( 3.636 6.703 3.924) 8.576 17.922 ( -4.151 -6.081 0.253) 7.367 17.922 ( -4.151 6.081 0.253) 7.367 18.315 ( 3.977 -4.632 7.414) 9.605 18.315 ( 3.977 4.632 7.414) 9.605 18.699 ( 5.392 -4.689 -3.136) 7.804 18.699 ( 5.392 4.689 -3.136) 7.804 19.284 ( 7.402 -7.992 -5.858) 12.368 19.284 ( 7.402 7.992 -5.858) 12.368 21.778 ( -14.260 -2.242 0.958) 14.467 21.778 ( -14.260 2.242 0.958) 14.467 22.249 ( -3.487 -3.200 -0.517) 4.761 22.249 ( -3.487 3.200 -0.517) 4.761 27.544 ( 2.981 -4.168 -2.285) 5.610 27.544 ( 2.981 4.168 -2.285) 5.610 28.005 ( 12.998 -5.857 0.514) 14.267 28.005 ( 12.998 5.857 0.514) 14.267 29.924 ( -0.033 -1.169 -0.422) 1.244 29.924 ( -0.033 1.169 -0.422) 1.244 30.225 ( 4.657 -2.033 1.244) 5.232 30.225 ( 4.657 2.033 1.244) 5.232 31.150 ( 0.131 -1.226 -0.117) 1.239 31.150 ( 0.131 1.226 -0.117) 1.239 31.722 ( -1.878 -1.919 -1.146) 2.919 31.722 ( -1.878 1.919 -1.146) 2.919 32.247 ( 0.665 -1.381 -1.151) 1.916 32.247 ( 0.665 1.381 -1.151) 1.916 32.657 ( 5.689 -1.553 3.856) 7.046 32.657 ( 5.689 1.553 3.856) 7.046 33.080 ( 1.435 -6.071 3.542) 7.173 33.080 ( 1.435 6.071 3.542) 7.173 33.785 ( -5.199 -5.379 -3.558) 8.283 33.785 ( -5.199 5.379 -3.558) 8.283 34.281 ( 5.626 -2.513 0.344) 6.171 34.281 ( 5.626 2.513 0.344) 6.171 34.602 ( 3.430 -9.116 -0.550) 9.755 34.602 ( 3.430 9.116 -0.550) 9.755 35.886 ( -4.755 -7.087 0.491) 8.548 35.886 ( -4.755 7.087 0.491) 8.548 37.014 ( -9.757 -6.534 0.288) 11.746 37.014 ( -9.757 6.534 0.288) 11.746 ======================= Grid point 27 (16/88) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -1.232 -4.665 -0.978) 4.924 2.318 ( -1.232 4.665 -0.978) 4.924 2.691 ( -0.043 -0.610 1.132) 1.286 2.691 ( -0.043 0.610 1.132) 1.286 3.282 ( 5.005 -8.689 4.462) 10.975 3.282 ( 5.005 8.689 4.462) 10.975 3.385 ( -3.550 -14.312 2.363) 14.934 3.385 ( -3.550 14.312 2.363) 14.934 3.891 ( 4.929 -14.990 -1.361) 15.838 3.891 ( 4.929 14.990 -1.361) 15.838 4.290 ( 10.070 -11.872 0.594) 15.579 4.290 ( 10.070 11.872 0.594) 15.579 4.446 ( -1.026 -12.403 -1.103) 12.495 4.446 ( -1.026 12.403 -1.103) 12.495 4.760 ( 5.464 -8.053 -6.045) 11.456 4.760 ( 5.464 8.053 -6.045) 11.456 4.827 ( -5.954 -8.368 3.839) 10.964 4.827 ( -5.954 8.368 3.839) 10.964 5.196 ( 2.501 -5.780 2.973) 6.964 5.196 ( 2.501 5.780 2.973) 6.964 5.463 ( -2.063 -9.891 1.955) 10.291 5.463 ( -2.063 9.891 1.955) 10.291 5.701 ( 5.949 -1.579 2.027) 6.481 5.701 ( 5.949 1.579 2.027) 6.481 5.820 ( 2.062 -6.477 9.563) 11.732 5.820 ( 2.062 6.477 9.563) 11.732 6.077 ( 1.983 -12.637 -7.637) 14.898 6.077 ( 1.983 12.637 -7.637) 14.898 6.219 ( 9.343 -0.792 -3.079) 9.869 6.219 ( 9.343 0.792 -3.079) 9.869 6.356 ( -0.101 -2.247 -6.227) 6.621 6.356 ( -0.101 2.247 -6.227) 6.621 6.938 ( -0.507 -3.238 -1.709) 3.696 6.938 ( -0.507 3.238 -1.709) 3.696 7.163 ( -8.191 -7.306 1.097) 11.030 7.163 ( -8.191 7.306 1.097) 11.030 7.454 ( -5.173 -1.146 -6.885) 8.688 7.454 ( -5.173 1.146 -6.885) 8.688 7.914 ( -0.859 -3.771 0.500) 3.899 7.914 ( -0.859 3.771 0.500) 3.899 8.133 ( 1.856 -2.280 1.184) 3.170 8.133 ( 1.856 2.280 1.184) 3.170 8.438 ( -1.146 -4.263 1.733) 4.742 8.438 ( -1.146 4.263 1.733) 4.742 8.646 ( -0.944 -3.560 0.657) 3.741 8.646 ( -0.944 3.560 0.657) 3.741 9.065 ( -1.883 -10.409 1.402) 10.670 9.065 ( -1.883 10.409 1.402) 10.670 9.263 ( 1.125 -4.059 0.207) 4.217 9.263 ( 1.125 4.059 0.207) 4.217 9.668 ( 0.621 -7.686 3.583) 8.502 9.668 ( 0.621 7.686 3.583) 8.502 9.924 ( -2.787 -1.112 -0.713) 3.084 9.924 ( -2.787 1.112 -0.713) 3.084 10.425 ( -3.760 -0.939 -2.441) 4.580 10.425 ( -3.760 0.939 -2.441) 4.580 10.766 ( -1.458 -2.487 -0.948) 3.035 10.766 ( -1.458 2.487 -0.948) 3.035 11.253 ( 0.760 -7.596 3.308) 8.320 11.253 ( 0.760 7.596 3.308) 8.320 11.510 ( 6.859 -5.996 1.454) 9.225 11.510 ( 6.859 5.996 1.454) 9.225 11.667 ( -3.907 -14.477 1.225) 15.045 11.667 ( -3.907 14.477 1.225) 15.045 12.008 ( -3.697 -2.607 1.142) 4.665 12.008 ( -3.697 2.607 1.142) 4.665 12.332 ( 1.226 -8.900 2.460) 9.315 12.332 ( 1.226 8.900 2.460) 9.315 12.770 ( -2.141 -4.295 0.573) 4.833 12.770 ( -2.141 4.295 0.573) 4.833 13.188 ( -0.898 -7.069 -1.041) 7.202 13.188 ( -0.898 7.069 -1.041) 7.202 13.342 ( 3.019 -2.256 0.924) 3.881 13.342 ( 3.019 2.256 0.924) 3.881 13.530 ( -7.656 -4.882 -8.598) 12.505 13.530 ( -7.656 4.882 -8.598) 12.505 14.626 ( 0.612 -7.177 -1.225) 7.307 14.626 ( 0.612 7.177 -1.225) 7.307 14.739 ( -3.126 -1.745 1.223) 3.783 14.739 ( -3.126 1.745 1.223) 3.783 15.477 ( 0.519 -1.667 -0.397) 1.790 15.477 ( 0.519 1.667 -0.397) 1.790 16.040 ( 7.943 -11.024 2.406) 13.799 16.040 ( 7.943 11.024 2.406) 13.799 16.501 ( 3.614 -4.055 -3.498) 6.461 16.501 ( 3.614 4.055 -3.498) 6.461 16.762 ( 1.334 -4.171 -2.460) 5.022 16.762 ( 1.334 4.171 -2.460) 5.022 16.955 ( -3.557 -1.981 2.879) 4.986 16.955 ( -3.557 1.981 2.879) 4.986 17.364 ( 1.034 -5.955 1.090) 6.141 17.364 ( 1.034 5.955 1.090) 6.141 17.856 ( -2.501 -5.072 0.692) 5.697 17.856 ( -2.501 5.072 0.692) 5.697 18.472 ( 4.469 -2.855 10.497) 11.760 18.472 ( 4.469 2.855 10.497) 11.760 18.658 ( -2.971 -3.065 -8.905) 9.875 18.658 ( -2.971 3.065 -8.905) 9.875 19.425 ( 6.668 -10.188 -2.286) 12.388 19.425 ( 6.668 10.188 -2.286) 12.388 21.562 ( -6.686 -1.845 0.672) 6.968 21.562 ( -6.686 1.845 0.672) 6.968 22.194 ( -1.448 -2.170 -0.278) 2.624 22.194 ( -1.448 2.170 -0.278) 2.624 27.574 ( 1.294 -3.458 -1.134) 3.863 27.574 ( 1.294 3.458 -1.134) 3.863 28.189 ( 4.789 -7.864 0.124) 9.208 28.189 ( 4.789 7.864 0.124) 9.208 29.923 ( 0.071 -0.608 -0.188) 0.641 29.923 ( 0.071 0.608 -0.188) 0.641 30.303 ( 2.006 -3.349 0.573) 3.946 30.303 ( 2.006 3.349 0.573) 3.946 31.152 ( 0.105 -0.897 -0.000) 0.903 31.152 ( 0.105 0.897 -0.000) 0.903 31.687 ( -0.835 -2.672 -0.456) 2.836 31.687 ( -0.835 2.672 -0.456) 2.836 32.251 ( 0.337 -1.397 -0.455) 1.508 32.251 ( 0.337 1.397 -0.455) 1.508 32.759 ( 2.483 -2.889 0.587) 3.854 32.759 ( 2.483 2.889 0.587) 3.854 33.142 ( 1.146 -3.773 3.596) 5.337 33.142 ( 1.146 3.773 3.596) 5.337 33.668 ( -2.895 -6.417 -2.742) 7.555 33.668 ( -2.895 6.417 -2.742) 7.555 34.366 ( 2.355 -0.879 0.053) 2.515 34.366 ( 2.355 0.879 0.053) 2.515 34.659 ( 1.980 -10.018 -0.065) 10.212 34.659 ( 1.980 10.018 -0.065) 10.212 35.815 ( -2.213 -6.102 0.231) 6.495 35.815 ( -2.213 6.102 0.231) 6.495 36.871 ( -4.119 -8.116 0.209) 9.104 36.871 ( -4.119 8.116 0.209) 9.104 ======================= Grid point 49 (17/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -2.360 0.000 40.008) 40.078 0.966 ( 0.302 0.000 49.536) 49.537 1.534 ( 2.113 0.000 77.289) 77.318 2.574 ( -0.547 0.000 -2.780) 2.833 2.704 ( -0.616 0.000 -2.506) 2.581 2.770 ( 1.622 0.000 3.838) 4.166 2.866 ( 1.862 0.000 -0.469) 1.921 3.305 ( 2.746 0.000 12.860) 13.150 3.342 ( 19.253 0.000 -13.367) 23.438 3.396 ( -5.625 0.000 -1.765) 5.895 3.616 ( -17.637 0.000 -3.413) 17.964 3.752 ( 5.125 0.000 15.897) 16.702 4.302 ( -3.333 0.000 -0.438) 3.362 4.491 ( -2.404 0.000 -1.758) 2.978 4.600 ( 6.222 0.000 -13.036) 14.444 4.826 ( -10.640 0.000 -0.949) 10.682 4.862 ( 9.731 0.000 8.721) 13.067 4.893 ( 3.962 0.000 2.302) 4.582 5.035 ( -5.065 0.000 -0.909) 5.146 5.103 ( 6.743 0.000 -7.716) 10.247 5.149 ( 10.718 0.000 -1.420) 10.812 5.418 ( -9.991 0.000 -2.094) 10.208 5.506 ( -1.035 0.000 2.667) 2.861 5.513 ( -2.941 0.000 2.736) 4.017 5.610 ( 3.794 0.000 -4.318) 5.748 5.917 ( 1.889 0.000 10.945) 11.107 6.071 ( -2.736 0.000 -2.957) 4.029 6.182 ( 1.127 0.000 -0.881) 1.431 6.356 ( 9.672 0.000 -10.684) 14.412 6.573 ( -10.385 0.000 4.170) 11.191 6.614 ( -8.769 0.000 -7.768) 11.714 6.652 ( -5.606 0.000 -3.229) 6.469 6.895 ( 8.397 0.000 4.331) 9.448 7.190 ( -17.676 0.000 -5.608) 18.545 7.239 ( -2.142 0.000 12.330) 12.514 7.267 ( 6.019 0.000 -2.041) 6.356 7.470 ( 14.592 0.000 -9.678) 17.510 7.607 ( -2.310 0.000 -11.779) 12.003 7.699 ( -1.972 0.000 -7.428) 7.685 8.078 ( -10.507 0.000 12.198) 16.099 8.086 ( 3.624 0.000 -16.780) 17.167 8.333 ( -5.004 0.000 2.947) 5.807 8.430 ( -6.709 0.000 -5.960) 8.974 8.430 ( -4.175 0.000 0.659) 4.227 8.578 ( 3.440 0.000 -0.798) 3.532 8.799 ( 2.795 0.000 1.974) 3.422 9.061 ( -0.042 0.000 10.880) 10.881 9.221 ( 6.282 0.000 -0.011) 6.282 9.470 ( 1.834 0.000 -1.508) 2.374 9.480 ( 4.058 0.000 -5.242) 6.629 9.687 ( -8.868 0.000 5.607) 10.492 9.848 ( -4.344 0.000 -5.513) 7.019 10.092 ( 3.576 0.000 -0.024) 3.576 10.254 ( 6.014 0.000 -5.297) 8.014 10.441 ( -2.060 0.000 -4.570) 5.013 10.582 ( 1.578 0.000 -12.069) 12.172 10.793 ( 10.705 0.000 0.612) 10.722 10.872 ( 3.243 0.000 7.252) 7.944 10.954 ( -5.891 0.000 12.021) 13.387 11.068 ( -6.259 0.000 11.936) 13.477 11.173 ( 1.166 0.000 2.770) 3.005 11.236 ( -0.036 0.000 1.603) 1.604 11.822 ( -6.715 0.000 -0.546) 6.737 12.005 ( -1.412 0.000 5.161) 5.351 12.022 ( 10.005 0.000 9.466) 13.773 12.189 ( 1.445 0.000 4.064) 4.314 12.508 ( 3.911 0.000 0.756) 3.984 12.654 ( 1.494 0.000 6.629) 6.795 12.869 ( -0.690 0.000 1.110) 1.307 13.263 ( -11.939 0.000 -0.659) 11.957 13.357 ( -2.332 0.000 -2.367) 3.323 13.491 ( 0.779 0.000 -8.210) 8.247 13.547 ( -2.334 0.000 -6.900) 7.284 14.135 ( -2.285 0.000 -16.687) 16.843 14.272 ( 3.325 0.000 -0.409) 3.350 14.442 ( -0.691 0.000 -1.911) 2.032 14.605 ( 8.300 0.000 0.104) 8.300 14.702 ( -13.030 0.000 2.048) 13.190 14.891 ( -56.935 0.000 -12.023) 58.190 15.150 ( 55.666 0.000 -13.078) 57.182 15.177 ( 2.795 0.000 0.130) 2.798 15.261 ( 1.921 0.000 -0.702) 2.045 15.594 ( 56.159 0.000 6.587) 56.544 15.597 ( -4.200 0.000 2.702) 4.994 16.187 ( -21.288 0.000 -4.028) 21.665 16.493 ( 15.135 0.000 9.630) 17.939 16.526 ( -18.618 0.000 -3.876) 19.017 16.626 ( 3.102 0.000 -5.181) 6.039 16.854 ( -3.812 0.000 12.913) 13.464 16.867 ( 0.074 0.000 -7.981) 7.982 17.239 ( -1.260 0.000 -4.021) 4.214 17.334 ( -2.042 0.000 3.305) 3.885 17.440 ( -1.375 0.000 15.711) 15.771 17.869 ( -0.526 0.000 1.742) 1.820 17.951 ( -2.937 0.000 0.209) 2.944 18.462 ( 0.753 0.000 -0.023) 0.754 18.558 ( -6.702 0.000 -0.529) 6.722 18.639 ( -10.600 0.000 -3.211) 11.075 18.698 ( 13.149 0.000 1.306) 13.214 19.149 ( -1.239 0.000 -3.655) 3.860 21.622 ( -0.117 0.000 2.374) 2.377 21.943 ( -2.220 0.000 -3.200) 3.895 22.306 ( -1.265 0.000 4.222) 4.407 22.659 ( 0.497 0.000 -1.889) 1.954 27.250 ( 0.273 0.000 0.431) 0.511 27.291 ( -0.333 0.000 -0.282) 0.436 27.827 ( 6.004 0.000 0.485) 6.024 27.908 ( -6.785 0.000 -0.794) 6.832 29.816 ( 0.563 0.000 1.499) 1.601 29.935 ( -2.218 0.000 -0.562) 2.289 29.980 ( 4.374 0.000 1.535) 4.635 30.150 ( -1.484 0.000 -1.065) 1.827 30.741 ( -0.611 0.000 1.909) 2.004 31.005 ( 1.439 0.000 -2.368) 2.771 31.631 ( -0.775 0.000 1.388) 1.590 31.751 ( 1.730 0.000 -0.849) 1.927 32.126 ( -0.970 0.000 5.416) 5.502 32.205 ( -1.543 0.000 -1.602) 2.224 32.276 ( -8.412 0.000 -0.174) 8.414 32.548 ( 1.784 0.000 4.835) 5.154 32.756 ( 2.705 0.000 9.842) 10.207 33.427 ( -0.436 0.000 -5.497) 5.514 33.610 ( 5.157 0.000 3.670) 6.329 33.824 ( -3.730 0.000 -4.704) 6.003 34.209 ( 1.368 0.000 -6.039) 6.192 34.483 ( -8.398 0.000 -1.109) 8.471 34.514 ( -1.456 0.000 2.592) 2.973 34.854 ( 11.022 0.000 -12.779) 16.875 35.794 ( 23.954 0.000 15.687) 28.634 37.011 ( -2.413 0.000 -10.181) 10.463 37.246 ( 6.100 0.000 2.498) 6.592 37.301 ( -24.527 0.000 -0.416) 24.530 ======================= Grid point 50 (18/88) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 37.449 0.000 28.949) 47.334 1.583 ( 20.934 0.000 39.458) 44.668 2.459 ( 28.777 0.000 52.476) 59.848 2.538 ( -1.184 0.000 -2.497) 2.764 2.635 ( -3.288 0.000 -1.187) 3.496 2.821 ( 0.690 0.000 3.640) 3.705 2.853 ( -0.124 0.000 8.872) 8.872 3.304 ( -5.184 0.000 -1.198) 5.321 3.368 ( -7.340 0.000 2.855) 7.876 3.462 ( 3.496 0.000 11.229) 11.761 3.739 ( 30.176 0.000 -22.234) 37.482 4.067 ( -12.407 0.000 -5.058) 13.398 4.145 ( 18.971 0.000 13.460) 23.261 4.429 ( -3.547 0.000 5.650) 6.671 4.666 ( -7.485 0.000 -3.644) 8.324 4.677 ( 4.881 0.000 -8.254) 9.589 4.887 ( -4.693 0.000 0.345) 4.706 4.921 ( 2.205 0.000 -5.106) 5.562 5.012 ( 8.262 0.000 0.649) 8.287 5.204 ( -4.422 0.000 -2.845) 5.258 5.246 ( 7.729 0.000 -3.447) 8.463 5.307 ( 5.521 0.000 1.824) 5.814 5.400 ( -7.853 0.000 -2.233) 8.164 5.645 ( 4.708 0.000 -4.843) 6.754 5.686 ( 1.110 0.000 3.492) 3.664 5.865 ( -2.525 0.000 -1.199) 2.795 6.057 ( 2.922 0.000 12.261) 12.604 6.280 ( 5.292 0.000 -7.742) 9.377 6.372 ( -5.411 0.000 -7.043) 8.881 6.465 ( 4.476 0.000 -5.442) 7.046 6.550 ( 2.004 0.000 3.646) 4.160 6.585 ( 0.885 0.000 0.859) 1.234 6.669 ( -19.745 0.000 -21.480) 29.176 7.113 ( 4.488 0.000 3.036) 5.419 7.257 ( -8.018 0.000 10.437) 13.161 7.290 ( 5.563 0.000 -8.858) 10.460 7.497 ( 0.578 0.000 -6.034) 6.061 7.613 ( 9.033 0.000 -6.345) 11.039 7.713 ( -4.178 0.000 8.489) 9.461 8.025 ( -4.634 0.000 5.554) 7.234 8.062 ( 4.947 0.000 -11.357) 12.387 8.239 ( -5.976 0.000 -3.233) 6.795 8.326 ( -6.146 0.000 -0.532) 6.169 8.347 ( 8.455 0.000 -5.567) 10.123 8.615 ( 1.940 0.000 -3.052) 3.617 8.889 ( 4.097 0.000 2.496) 4.798 9.142 ( -0.147 0.000 8.936) 8.937 9.365 ( 7.518 0.000 1.279) 7.626 9.433 ( -5.076 0.000 -4.940) 7.083 9.443 ( -3.764 0.000 1.558) 4.074 9.608 ( -3.959 0.000 6.199) 7.356 9.783 ( -2.179 0.000 1.868) 2.870 10.094 ( 1.630 0.000 -9.079) 9.225 10.319 ( -6.149 0.000 -5.059) 7.963 10.319 ( 0.145 0.000 1.997) 2.002 10.527 ( 4.072 0.000 -16.330) 16.830 10.826 ( -10.354 0.000 0.921) 10.394 10.872 ( -7.006 0.000 8.251) 10.824 10.966 ( 5.246 0.000 -0.974) 5.335 11.139 ( -0.479 0.000 17.336) 17.343 11.183 ( 0.508 0.000 1.642) 1.719 11.336 ( 2.440 0.000 5.529) 6.043 11.682 ( -10.524 0.000 5.801) 12.017 11.897 ( -8.262 0.000 -1.398) 8.380 12.249 ( -1.096 0.000 6.313) 6.407 12.270 ( 6.361 0.000 8.807) 10.864 12.511 ( -7.442 0.000 9.534) 12.095 12.556 ( -23.684 0.000 7.856) 24.953 12.762 ( 3.195 0.000 4.822) 5.784 13.132 ( -0.584 0.000 1.996) 2.079 13.277 ( -2.436 0.000 -2.565) 3.538 13.368 ( -6.004 0.000 -10.553) 12.141 13.435 ( 0.216 0.000 -8.481) 8.484 13.852 ( -11.125 0.000 -9.645) 14.724 14.039 ( -16.995 0.000 9.655) 19.546 14.341 ( -0.557 0.000 2.315) 2.381 14.426 ( -15.179 0.000 1.120) 15.220 14.471 ( 0.965 0.000 0.713) 1.200 14.753 ( 9.055 0.000 -5.590) 10.641 15.151 ( -2.252 0.000 -5.248) 5.711 15.303 ( 5.592 0.000 3.277) 6.482 15.399 ( 9.208 0.000 -7.753) 12.038 15.567 ( 5.319 0.000 -2.319) 5.802 15.878 ( -7.562 0.000 0.920) 7.618 16.193 ( -3.580 0.000 5.824) 6.836 16.489 ( 5.688 0.000 -7.988) 9.806 16.790 ( 17.289 0.000 -7.714) 18.932 16.794 ( -0.750 0.000 -7.713) 7.749 16.835 ( 10.783 0.000 4.608) 11.726 17.014 ( 2.107 0.000 14.535) 14.687 17.193 ( 2.901 0.000 -7.300) 7.855 17.358 ( 3.356 0.000 2.212) 4.019 17.735 ( 13.399 0.000 16.787) 21.478 17.836 ( -3.786 0.000 1.925) 4.248 17.922 ( 1.545 0.000 -0.180) 1.556 18.332 ( -9.653 0.000 -5.480) 11.100 18.561 ( 0.166 0.000 4.684) 4.687 18.779 ( 9.634 0.000 -20.941) 23.051 18.970 ( 13.118 0.000 1.558) 13.210 19.109 ( 3.239 0.000 -8.751) 9.331 21.613 ( -2.847 0.000 2.897) 4.062 21.859 ( -4.983 0.000 -3.420) 6.043 22.249 ( -5.270 0.000 3.004) 6.066 22.572 ( -7.000 0.000 -2.595) 7.465 27.329 ( 3.957 0.000 0.740) 4.026 27.736 ( 23.292 0.000 -18.589) 29.800 27.800 ( -1.411 0.000 -5.130) 5.321 28.204 ( 32.293 0.000 -7.978) 33.264 29.859 ( 2.225 0.000 2.300) 3.201 29.907 ( -0.222 0.000 -0.917) 0.943 30.131 ( 0.929 0.000 -2.642) 2.800 30.133 ( 9.141 0.000 0.958) 9.191 30.749 ( -0.134 0.000 1.945) 1.949 31.003 ( 0.532 0.000 -2.858) 2.907 31.610 ( -1.961 0.000 0.481) 2.019 31.756 ( -0.986 0.000 0.109) 0.992 32.147 ( -0.653 0.000 -0.590) 0.880 32.183 ( -3.978 0.000 9.851) 10.624 32.196 ( 1.988 0.000 -1.979) 2.805 32.636 ( 2.866 0.000 5.162) 5.904 32.922 ( 5.085 0.000 11.101) 12.211 33.370 ( -1.281 0.000 -5.912) 6.049 33.697 ( -3.881 0.000 -7.850) 8.757 33.764 ( 6.156 0.000 7.161) 9.443 34.210 ( -12.989 0.000 3.075) 13.348 34.216 ( 4.044 0.000 -6.190) 7.394 34.514 ( -0.314 0.000 1.983) 2.007 34.888 ( 1.495 0.000 -7.816) 7.958 36.179 ( 10.089 0.000 3.023) 10.532 36.624 ( -37.146 0.000 22.976) 43.677 36.846 ( -5.663 0.000 -10.427) 11.865 37.325 ( -0.124 0.000 2.415) 2.418 ======================= Grid point 51 (19/88) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 20.331 0.000 23.625) 31.168 2.409 ( 18.894 0.000 22.961) 29.735 2.500 ( 0.127 0.000 -1.179) 1.186 2.563 ( -2.077 0.000 1.765) 2.725 2.792 ( 5.672 0.000 2.757) 6.306 2.855 ( -0.515 0.000 4.605) 4.634 3.179 ( -4.848 0.000 0.257) 4.855 3.311 ( -2.399 0.000 5.765) 6.245 3.448 ( 9.122 0.000 23.864) 25.548 3.668 ( 16.934 0.000 9.294) 19.317 3.730 ( -11.120 0.000 -2.419) 11.380 4.016 ( 3.493 0.000 -22.421) 22.692 4.388 ( -11.774 0.000 1.938) 11.932 4.487 ( 3.232 0.000 2.686) 4.202 4.634 ( 10.328 0.000 -4.903) 11.433 4.693 ( 27.789 0.000 -6.373) 28.510 4.748 ( -5.871 0.000 -1.338) 6.022 5.095 ( 0.189 0.000 -0.397) 0.440 5.117 ( 3.979 0.000 3.535) 5.322 5.153 ( -1.355 0.000 -3.075) 3.360 5.302 ( 6.754 0.000 -5.300) 8.585 5.403 ( 13.392 0.000 1.110) 13.438 5.560 ( -1.202 0.000 -7.390) 7.488 5.563 ( 9.123 0.000 9.288) 13.019 5.749 ( 5.390 0.000 3.933) 6.672 5.950 ( -3.079 0.000 6.452) 7.149 5.991 ( -5.480 0.000 -14.394) 15.402 6.046 ( -20.382 0.000 -13.605) 24.506 6.305 ( 2.942 0.000 12.098) 12.451 6.480 ( 10.283 0.000 0.683) 10.305 6.539 ( 7.788 0.000 -6.809) 10.344 6.646 ( 3.409 0.000 -4.025) 5.274 6.730 ( 11.377 0.000 -5.406) 12.596 7.066 ( -5.466 0.000 5.157) 7.514 7.070 ( -14.145 0.000 11.383) 18.157 7.431 ( 11.319 0.000 -12.134) 16.593 7.465 ( -2.873 0.000 -2.759) 3.983 7.669 ( -7.045 0.000 13.560) 15.281 7.768 ( 7.002 0.000 -1.038) 7.079 7.890 ( -5.704 0.000 -6.785) 8.864 8.085 ( 3.861 0.000 -7.292) 8.251 8.138 ( -4.643 0.000 3.456) 5.788 8.213 ( -5.251 0.000 5.785) 7.813 8.584 ( 13.482 0.000 -0.214) 13.484 8.603 ( 0.882 0.000 -7.275) 7.328 8.988 ( 3.278 0.000 3.131) 4.533 9.137 ( -10.142 0.000 0.647) 10.163 9.260 ( -2.729 0.000 -2.946) 4.016 9.356 ( -3.527 0.000 -3.644) 5.071 9.534 ( 5.072 0.000 6.673) 8.382 9.575 ( -7.346 0.000 11.580) 13.714 9.731 ( -4.507 0.000 -0.428) 4.527 10.049 ( 0.499 0.000 -5.565) 5.587 10.192 ( 0.282 0.000 -7.791) 7.796 10.276 ( -5.432 0.000 2.077) 5.816 10.463 ( 1.957 0.000 -15.724) 15.845 10.619 ( -7.661 0.000 -1.711) 7.850 10.818 ( -3.318 0.000 2.435) 4.115 11.022 ( -0.184 0.000 3.938) 3.942 11.197 ( -1.645 0.000 0.830) 1.843 11.259 ( 0.094 0.000 12.257) 12.258 11.303 ( -9.982 0.000 6.087) 11.692 11.552 ( -4.835 0.000 8.211) 9.529 11.723 ( -4.231 0.000 -7.815) 8.887 12.243 ( -2.994 0.000 2.514) 3.909 12.311 ( -4.409 0.000 5.031) 6.690 12.361 ( -15.816 0.000 11.539) 19.577 12.443 ( 1.328 0.000 2.148) 2.525 12.820 ( -0.610 0.000 2.897) 2.960 12.983 ( -7.888 0.000 -12.024) 14.380 13.238 ( -0.443 0.000 -1.750) 1.805 13.309 ( 3.185 0.000 -1.625) 3.575 13.405 ( 3.111 0.000 -3.453) 4.647 13.623 ( -3.650 0.000 -15.484) 15.908 13.927 ( -6.292 0.000 16.888) 18.022 14.098 ( -14.294 0.000 -2.220) 14.465 14.301 ( -5.034 0.000 1.814) 5.351 14.557 ( 6.505 0.000 1.107) 6.598 14.875 ( 8.563 0.000 -8.863) 12.323 15.034 ( -5.791 0.000 -4.102) 7.097 15.438 ( 6.544 0.000 3.512) 7.426 15.539 ( 8.729 0.000 -3.191) 9.294 15.810 ( 10.188 0.000 3.121) 10.656 15.833 ( 3.545 0.000 4.314) 5.584 16.218 ( 2.245 0.000 3.512) 4.168 16.479 ( 0.077 0.000 -5.324) 5.325 16.723 ( -1.269 0.000 -4.780) 4.946 16.881 ( 0.495 0.000 -5.841) 5.862 16.953 ( 1.061 0.000 -0.032) 1.062 17.190 ( 1.116 0.000 5.871) 5.976 17.237 ( 6.315 0.000 1.113) 6.412 17.497 ( 7.059 0.000 1.029) 7.133 17.783 ( -2.294 0.000 2.338) 3.276 17.995 ( 5.886 0.000 0.319) 5.894 18.106 ( -8.299 0.000 -4.891) 9.633 18.153 ( 15.092 0.000 13.548) 20.281 18.599 ( -1.263 0.000 5.241) 5.391 18.629 ( -5.779 0.000 -15.024) 16.097 19.078 ( 0.853 0.000 -10.483) 10.517 19.230 ( 10.703 0.000 2.760) 11.053 21.562 ( -4.290 0.000 2.721) 5.080 21.710 ( -6.641 0.000 -2.475) 7.087 22.176 ( -3.363 0.000 1.142) 3.551 22.389 ( -7.653 0.000 -3.359) 8.358 27.437 ( 4.235 0.000 3.526) 5.511 27.782 ( 3.302 0.000 -3.209) 4.605 27.951 ( 12.916 0.000 -12.308) 17.841 28.681 ( 21.572 0.000 -6.655) 22.575 29.905 ( 0.321 0.000 -0.505) 0.598 29.928 ( 2.385 0.000 2.179) 3.231 30.141 ( 2.184 0.000 -2.595) 3.392 30.319 ( 8.287 0.000 0.374) 8.295 30.764 ( 0.137 0.000 1.770) 1.775 30.989 ( 0.354 0.000 -2.359) 2.385 31.568 ( -2.030 0.000 -0.404) 2.070 31.721 ( -2.287 0.000 0.093) 2.289 32.113 ( -2.171 0.000 1.977) 2.937 32.226 ( -0.981 0.000 9.597) 9.647 32.242 ( 3.600 0.000 -1.145) 3.778 32.730 ( 2.820 0.000 3.249) 4.302 33.086 ( 3.562 0.000 4.096) 5.428 33.279 ( -2.361 0.000 -6.777) 7.176 33.568 ( -3.317 0.000 -4.107) 5.279 33.940 ( 3.998 0.000 8.364) 9.270 34.050 ( -5.517 0.000 1.819) 5.809 34.254 ( 4.873 0.000 -7.280) 8.761 34.538 ( 1.133 0.000 2.426) 2.678 34.836 ( -1.177 0.000 -4.386) 4.542 36.222 ( -19.980 0.000 14.836) 24.886 36.336 ( 2.899 0.000 4.943) 5.731 36.650 ( -5.151 0.000 -9.972) 11.224 37.291 ( -3.670 0.000 0.084) 3.671 ======================= Grid point 52 (20/88) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -0.039 0.000 -6.778) 6.778 2.473 ( -2.484 0.000 -2.677) 3.652 2.651 ( -1.350 0.000 8.546) 8.652 2.694 ( 2.416 0.000 3.983) 4.658 2.930 ( 3.230 0.000 12.227) 12.647 2.967 ( -5.770 0.000 14.058) 15.196 3.227 ( 1.375 0.000 -7.968) 8.086 3.361 ( -12.350 0.000 7.255) 14.324 3.396 ( -6.744 0.000 -9.628) 11.755 3.452 ( -3.101 0.000 10.617) 11.060 3.915 ( 3.036 0.000 3.262) 4.456 3.920 ( 7.141 0.000 4.209) 8.289 4.321 ( 0.791 0.000 -7.219) 7.262 4.432 ( -6.038 0.000 -9.207) 11.011 4.742 ( 10.326 0.000 -3.358) 10.858 4.959 ( 6.940 0.000 -0.723) 6.977 5.038 ( 1.509 0.000 -2.226) 2.689 5.090 ( 3.607 0.000 6.298) 7.258 5.108 ( 5.758 0.000 -15.235) 16.287 5.238 ( -1.833 0.000 7.048) 7.283 5.384 ( -2.742 0.000 -2.913) 4.000 5.455 ( 8.431 0.000 -3.612) 9.172 5.673 ( 3.649 0.000 2.964) 4.701 5.738 ( 13.102 0.000 -10.471) 16.772 5.799 ( -4.739 0.000 -1.146) 4.876 5.815 ( 3.073 0.000 4.179) 5.188 5.942 ( 1.727 0.000 11.916) 12.040 5.943 ( 6.674 0.000 -2.914) 7.282 6.240 ( -16.135 0.000 3.982) 16.619 6.586 ( 2.160 0.000 -10.138) 10.366 6.614 ( 3.093 0.000 0.441) 3.125 6.753 ( 5.342 0.000 12.088) 13.216 6.860 ( 4.341 0.000 -3.115) 5.342 7.095 ( 1.242 0.000 12.884) 12.944 7.138 ( 7.595 0.000 9.153) 11.894 7.292 ( -11.782 0.000 -1.990) 11.949 7.534 ( 8.385 0.000 -7.642) 11.345 7.624 ( -5.351 0.000 6.555) 8.462 7.803 ( 0.590 0.000 -3.534) 3.583 7.817 ( 2.189 0.000 -0.354) 2.218 8.046 ( -2.460 0.000 -5.615) 6.131 8.099 ( -2.784 0.000 7.649) 8.140 8.272 ( 0.824 0.000 13.025) 13.051 8.536 ( 0.383 0.000 -12.252) 12.258 8.798 ( 4.757 0.000 2.550) 5.397 8.864 ( -5.990 0.000 -4.600) 7.553 9.038 ( -0.515 0.000 0.029) 0.515 9.256 ( -2.331 0.000 -4.714) 5.259 9.269 ( 0.621 0.000 1.451) 1.578 9.491 ( -10.015 0.000 11.819) 15.491 9.541 ( -5.497 0.000 -8.619) 10.223 9.704 ( 2.061 0.000 5.452) 5.829 10.052 ( 2.597 0.000 -0.771) 2.709 10.182 ( -4.862 0.000 1.914) 5.225 10.206 ( 5.057 0.000 -7.848) 9.336 10.401 ( 4.315 0.000 -12.335) 13.068 10.521 ( 0.155 0.000 -2.348) 2.353 10.725 ( -4.790 0.000 -6.942) 8.434 11.054 ( -0.600 0.000 7.170) 7.195 11.086 ( -5.610 0.000 1.729) 5.871 11.252 ( -2.199 0.000 6.216) 6.593 11.327 ( -0.909 0.000 7.358) 7.414 11.570 ( -0.751 0.000 7.569) 7.606 11.661 ( 3.303 0.000 -5.268) 6.218 12.077 ( -13.973 0.000 -1.447) 14.048 12.190 ( -4.882 0.000 0.848) 4.955 12.271 ( -0.445 0.000 -5.861) 5.878 12.392 ( -6.603 0.000 -2.755) 7.155 12.811 ( 0.464 0.000 -8.662) 8.674 12.812 ( -1.447 0.000 2.359) 2.767 13.217 ( 0.430 0.000 -2.568) 2.604 13.342 ( -0.686 0.000 -8.189) 8.218 13.463 ( 0.004 0.000 -5.729) 5.729 13.513 ( 5.151 0.000 6.057) 7.951 13.883 ( -4.302 0.000 -2.890) 5.183 14.015 ( 0.432 0.000 16.927) 16.933 14.245 ( -2.493 0.000 4.593) 5.226 14.720 ( 8.102 0.000 0.989) 8.162 14.868 ( -7.179 0.000 -3.652) 8.055 14.941 ( 5.563 0.000 -9.769) 11.242 15.584 ( 4.697 0.000 3.593) 5.913 15.670 ( 4.186 0.000 2.652) 4.955 15.830 ( -4.045 0.000 8.653) 9.552 16.078 ( 6.466 0.000 -1.029) 6.548 16.321 ( 6.226 0.000 -0.060) 6.226 16.411 ( -3.329 0.000 -3.789) 5.044 16.686 ( 0.481 0.000 1.107) 1.207 16.830 ( 0.401 0.000 -7.053) 7.064 16.971 ( 1.573 0.000 1.632) 2.267 17.179 ( -2.443 0.000 -1.407) 2.819 17.328 ( -0.304 0.000 3.278) 3.292 17.587 ( 2.276 0.000 -0.531) 2.338 17.775 ( -1.238 0.000 -0.292) 1.272 17.970 ( -1.298 0.000 -1.824) 2.239 18.100 ( 1.342 0.000 0.079) 1.344 18.401 ( -3.838 0.000 -10.447) 11.129 18.481 ( 7.497 0.000 4.866) 8.938 18.577 ( -4.078 0.000 2.455) 4.760 19.066 ( 5.508 0.000 0.109) 5.509 19.393 ( 2.736 0.000 2.478) 3.691 21.500 ( -3.226 0.000 1.515) 3.564 21.598 ( -2.334 0.000 -1.499) 2.774 22.146 ( -0.458 0.000 1.193) 1.278 22.270 ( -1.416 0.000 -2.167) 2.589 27.508 ( -0.059 0.000 2.870) 2.871 27.886 ( 5.299 0.000 6.353) 8.273 28.057 ( 6.802 0.000 -10.873) 12.825 28.994 ( 13.021 0.000 1.570) 13.115 29.907 ( 0.088 0.000 -0.206) 0.224 29.958 ( -0.491 0.000 -0.477) 0.685 30.184 ( 2.922 0.000 0.733) 3.013 30.436 ( 3.086 0.000 -0.402) 3.112 30.778 ( -0.241 0.000 1.568) 1.586 30.986 ( 0.941 0.000 -1.550) 1.813 31.538 ( -0.426 0.000 -0.360) 0.558 31.677 ( -1.633 0.000 -0.867) 1.848 32.097 ( -1.814 0.000 3.839) 4.246 32.281 ( -1.478 0.000 10.425) 10.529 32.307 ( 2.735 0.000 0.834) 2.860 32.767 ( -0.895 0.000 -1.215) 1.509 33.063 ( -3.085 0.000 -9.983) 10.449 33.209 ( 1.131 0.000 -4.969) 5.096 33.529 ( -0.944 0.000 1.731) 1.972 33.980 ( -4.033 0.000 0.223) 4.039 34.010 ( -1.028 0.000 3.326) 3.481 34.307 ( 5.268 0.000 -4.987) 7.254 34.587 ( 0.529 0.000 4.074) 4.108 34.796 ( 0.217 0.000 -1.975) 1.987 35.991 ( -12.606 0.000 6.663) 14.258 36.419 ( 1.279 0.000 5.983) 6.118 36.530 ( 1.216 0.000 -7.873) 7.967 37.210 ( -2.638 0.000 -3.223) 4.165 ======================= Grid point 53 (21/88) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -13.900 0.000 -5.990) 15.136 2.313 ( -18.887 0.000 -1.932) 18.985 2.623 ( -6.318 0.000 -2.052) 6.643 2.644 ( -5.033 0.000 4.454) 6.721 2.798 ( -9.675 0.000 -1.852) 9.851 2.866 ( -15.792 0.000 2.015) 15.920 3.062 ( -2.362 0.000 2.814) 3.674 3.108 ( 5.307 0.000 4.594) 7.019 3.490 ( -10.909 0.000 2.700) 11.239 3.568 ( 10.758 0.000 3.050) 11.182 3.980 ( -4.268 0.000 8.329) 9.359 4.136 ( -4.287 0.000 -9.568) 10.484 4.296 ( 13.273 0.000 9.044) 16.061 4.329 ( 2.820 0.000 -9.136) 9.561 4.793 ( -13.463 0.000 3.199) 13.838 4.881 ( -8.368 0.000 -9.133) 12.387 5.008 ( -0.111 0.000 -5.291) 5.292 5.013 ( -2.456 0.000 1.304) 2.781 5.046 ( -1.440 0.000 -7.111) 7.256 5.219 ( 3.608 0.000 -5.545) 6.616 5.389 ( 8.628 0.000 -5.499) 10.231 5.570 ( 0.415 0.000 1.168) 1.240 5.660 ( -8.169 0.000 -1.932) 8.394 5.701 ( -3.627 0.000 -5.424) 6.525 5.717 ( -7.266 0.000 9.333) 11.828 5.976 ( -6.213 0.000 9.663) 11.488 6.036 ( 9.859 0.000 3.802) 10.567 6.129 ( -2.465 0.000 7.437) 7.834 6.265 ( 14.309 0.000 -3.191) 14.660 6.539 ( 3.295 0.000 -4.271) 5.394 6.653 ( -0.277 0.000 0.819) 0.865 6.725 ( -8.162 0.000 2.363) 8.498 6.889 ( 0.742 0.000 -0.119) 0.751 7.037 ( -10.166 0.000 3.209) 10.660 7.237 ( 1.131 0.000 13.972) 14.018 7.322 ( -1.215 0.000 5.989) 6.111 7.647 ( 4.048 0.000 10.919) 11.645 7.667 ( 9.586 0.000 -9.699) 13.637 7.856 ( 7.024 0.000 -4.491) 8.337 7.899 ( -8.634 0.000 6.815) 11.000 7.919 ( 2.826 0.000 5.540) 6.219 8.198 ( 5.777 0.000 8.593) 10.355 8.354 ( -0.620 0.000 5.401) 5.436 8.460 ( 2.088 0.000 -10.275) 10.485 8.730 ( -1.265 0.000 -0.342) 1.311 8.964 ( -4.000 0.000 -4.304) 5.875 8.999 ( 6.617 0.000 0.323) 6.625 9.208 ( 0.622 0.000 -6.160) 6.191 9.277 ( -0.527 0.000 1.544) 1.632 9.362 ( -2.881 0.000 -10.050) 10.455 9.430 ( -2.618 0.000 11.816) 12.102 9.770 ( 2.398 0.000 -0.111) 2.400 10.111 ( 0.544 0.000 0.929) 1.077 10.139 ( 1.929 0.000 -0.099) 1.931 10.191 ( 0.312 0.000 -4.318) 4.329 10.471 ( 10.499 0.000 -10.799) 15.062 10.560 ( -2.261 0.000 -13.463) 13.651 10.608 ( 8.802 0.000 -1.599) 8.947 11.059 ( 0.943 0.000 1.538) 1.804 11.085 ( -4.831 0.000 10.968) 11.985 11.272 ( -0.570 0.000 6.025) 6.052 11.343 ( -2.819 0.000 5.237) 5.947 11.632 ( -0.397 0.000 10.780) 10.788 11.685 ( -0.346 0.000 -4.591) 4.604 11.896 ( 3.844 0.000 -6.913) 7.910 12.118 ( -1.499 0.000 -0.738) 1.671 12.138 ( -3.570 0.000 -19.690) 20.011 12.245 ( -5.693 0.000 1.318) 5.844 12.800 ( -1.199 0.000 -0.399) 1.264 12.842 ( 7.244 0.000 -5.039) 8.825 13.153 ( -5.503 0.000 -13.588) 14.660 13.230 ( 2.334 0.000 -0.368) 2.363 13.528 ( 3.266 0.000 3.853) 5.051 13.612 ( -0.551 0.000 4.893) 4.924 13.911 ( 6.882 0.000 2.125) 7.202 14.174 ( 3.475 0.000 11.965) 12.459 14.282 ( 1.838 0.000 5.292) 5.602 14.663 ( -8.407 0.000 -1.858) 8.609 14.919 ( 9.422 0.000 -1.874) 9.607 14.947 ( 2.410 0.000 -7.960) 8.316 15.668 ( -2.416 0.000 7.795) 8.161 15.728 ( -1.848 0.000 5.055) 5.382 15.788 ( -4.138 0.000 5.394) 6.799 16.008 ( -8.968 0.000 -3.385) 9.585 16.280 ( -5.721 0.000 -3.606) 6.763 16.457 ( 7.259 0.000 -2.579) 7.703 16.775 ( 4.610 0.000 3.171) 5.595 16.783 ( -0.183 0.000 -7.222) 7.224 17.048 ( 2.498 0.000 5.399) 5.948 17.096 ( -3.786 0.000 -0.867) 3.884 17.306 ( -2.173 0.000 -0.348) 2.201 17.592 ( -2.593 0.000 -0.119) 2.596 17.721 ( -1.538 0.000 -1.457) 2.119 18.021 ( 5.761 0.000 0.538) 5.786 18.033 ( -4.313 0.000 -2.272) 4.875 18.142 ( -14.242 0.000 -9.929) 17.362 18.492 ( -4.058 0.000 -1.696) 4.398 18.708 ( 11.861 0.000 3.239) 12.295 19.286 ( 10.405 0.000 8.014) 13.133 19.362 ( -6.498 0.000 0.101) 6.499 21.477 ( 0.404 0.000 0.419) 0.583 21.614 ( 4.902 0.000 -0.592) 4.937 22.173 ( 1.872 0.000 1.338) 2.302 22.299 ( 5.074 0.000 -0.712) 5.124 27.490 ( -3.419 0.000 2.344) 4.145 28.042 ( 1.454 0.000 13.114) 13.194 28.046 ( 0.470 0.000 -9.596) 9.607 29.230 ( 8.246 0.000 4.341) 9.319 29.907 ( 0.272 0.000 -0.108) 0.292 29.913 ( -2.478 0.000 -1.785) 3.054 30.244 ( 0.911 0.000 2.961) 3.098 30.431 ( -2.430 0.000 -1.892) 3.080 30.776 ( -1.172 0.000 1.482) 1.889 31.001 ( 1.544 0.000 -1.275) 2.003 31.549 ( 1.393 0.000 0.460) 1.467 31.652 ( 0.384 0.000 -1.945) 1.983 32.100 ( -1.629 0.000 5.281) 5.527 32.337 ( -1.846 0.000 12.798) 12.931 32.352 ( 0.092 0.000 2.822) 2.823 32.674 ( -4.696 0.000 -5.452) 7.195 32.880 ( -5.422 0.000 -11.133) 12.383 33.256 ( 5.434 0.000 -1.643) 5.676 33.492 ( -1.685 0.000 -5.773) 6.014 33.830 ( -6.552 0.000 -7.928) 10.285 34.026 ( -2.442 0.000 6.807) 7.232 34.347 ( 1.290 0.000 -2.552) 2.860 34.601 ( -2.352 0.000 3.856) 4.516 34.827 ( 3.798 0.000 -0.348) 3.814 35.805 ( -9.004 0.000 -0.859) 9.045 36.497 ( 1.006 0.000 9.458) 9.511 36.590 ( 9.434 0.000 -4.424) 10.419 37.153 ( 0.715 0.000 -6.094) 6.135 ======================= Grid point 54 (22/88) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -38.856 0.000 3.080) 38.978 1.696 ( -38.314 0.000 3.181) 38.446 2.601 ( 2.330 0.000 1.783) 2.933 2.625 ( 0.018 0.000 2.687) 2.688 2.713 ( -3.299 0.000 -3.053) 4.495 2.724 ( -2.967 0.000 -1.443) 3.299 2.771 ( -41.893 0.000 6.371) 42.375 3.213 ( 0.369 0.000 2.393) 2.421 3.275 ( -3.358 0.000 5.062) 6.075 3.682 ( -22.099 0.000 4.758) 22.606 3.825 ( 13.060 0.000 1.469) 13.142 4.070 ( 8.862 0.000 -3.161) 9.408 4.219 ( -13.069 0.000 -4.559) 13.842 4.541 ( -0.037 0.000 -0.428) 0.429 4.646 ( 0.744 0.000 -1.656) 1.815 4.738 ( -1.518 0.000 -3.231) 3.570 4.790 ( -15.053 0.000 0.490) 15.061 5.014 ( 0.779 0.000 -1.850) 2.007 5.084 ( 7.491 0.000 -4.399) 8.687 5.273 ( 2.042 0.000 -3.935) 4.433 5.325 ( -8.746 0.000 -4.790) 9.972 5.465 ( -4.379 0.000 -13.447) 14.142 5.493 ( -6.891 0.000 0.672) 6.923 5.657 ( -4.753 0.000 10.741) 11.746 5.759 ( 12.709 0.000 1.952) 12.858 5.905 ( -6.528 0.000 6.555) 9.250 6.013 ( -13.107 0.000 8.676) 15.718 6.108 ( 2.740 0.000 -7.056) 7.570 6.446 ( 4.890 0.000 -2.557) 5.519 6.604 ( -6.248 0.000 2.649) 6.787 6.627 ( 4.256 0.000 2.497) 4.934 6.797 ( 6.534 0.000 -2.008) 6.836 6.909 ( 0.601 0.000 7.808) 7.831 6.942 ( 5.790 0.000 -1.608) 6.009 7.264 ( -4.846 0.000 0.823) 4.915 7.305 ( -5.933 0.000 4.230) 7.286 7.551 ( -9.094 0.000 -0.514) 9.108 7.848 ( 0.487 0.000 14.011) 14.020 7.849 ( -0.023 0.000 2.378) 2.379 8.003 ( 4.441 0.000 4.157) 6.083 8.113 ( 11.583 0.000 -1.406) 11.668 8.361 ( 2.738 0.000 6.767) 7.299 8.369 ( 5.796 0.000 -9.025) 10.725 8.456 ( -1.867 0.000 6.825) 7.076 8.705 ( -5.239 0.000 5.792) 7.810 8.851 ( -2.711 0.000 -6.387) 6.939 9.012 ( -2.793 0.000 0.511) 2.839 9.137 ( -2.912 0.000 -2.548) 3.869 9.326 ( 5.088 0.000 -1.281) 5.247 9.328 ( 6.958 0.000 -11.149) 13.142 9.585 ( 4.566 0.000 12.796) 13.586 9.822 ( 4.377 0.000 -1.394) 4.594 10.137 ( 4.944 0.000 -4.919) 6.975 10.168 ( -0.150 0.000 -4.710) 4.713 10.245 ( 8.019 0.000 0.028) 8.019 10.474 ( 3.363 0.000 -8.353) 9.005 10.576 ( 7.859 0.000 -10.995) 13.515 10.773 ( 9.022 0.000 -5.542) 10.588 11.014 ( -8.866 0.000 8.757) 12.462 11.135 ( 5.961 0.000 -1.106) 6.062 11.284 ( -7.393 0.000 6.227) 9.666 11.310 ( -1.397 0.000 6.834) 6.976 11.689 ( 6.268 0.000 -3.244) 7.057 11.730 ( 1.095 0.000 12.093) 12.142 11.912 ( -5.514 0.000 -5.844) 8.035 12.042 ( 11.380 0.000 -3.937) 12.042 12.140 ( 3.425 0.000 2.235) 4.090 12.141 ( -4.779 0.000 -1.622) 5.046 12.744 ( -2.982 0.000 -2.914) 4.169 12.909 ( -0.004 0.000 -11.951) 11.951 13.073 ( 9.001 0.000 1.705) 9.161 13.297 ( 3.722 0.000 0.624) 3.774 13.602 ( -1.589 0.000 -0.445) 1.650 13.603 ( 1.760 0.000 1.461) 2.288 14.107 ( 9.519 0.000 2.731) 9.903 14.308 ( 2.575 0.000 3.288) 4.177 14.357 ( 1.196 0.000 3.097) 3.320 14.511 ( -4.483 0.000 -0.633) 4.527 14.932 ( 0.891 0.000 -3.428) 3.542 15.070 ( 8.020 0.000 -4.800) 9.346 15.508 ( -15.862 0.000 4.492) 16.486 15.666 ( -6.896 0.000 1.606) 7.081 15.798 ( -9.509 0.000 2.631) 9.867 15.870 ( 5.618 0.000 6.783) 8.808 16.130 ( -5.686 0.000 -6.500) 8.636 16.559 ( 4.876 0.000 -2.579) 5.516 16.695 ( -4.112 0.000 -2.089) 4.613 16.856 ( 2.216 0.000 -1.329) 2.584 17.059 ( -0.027 0.000 0.066) 0.071 17.066 ( -7.722 0.000 4.983) 9.190 17.264 ( -0.497 0.000 -2.407) 2.458 17.464 ( -8.206 0.000 0.502) 8.222 17.739 ( -18.298 0.000 -4.945) 18.954 17.741 ( 2.916 0.000 1.863) 3.460 17.952 ( -2.279 0.000 -1.538) 2.750 18.190 ( 10.711 0.000 0.286) 10.715 18.425 ( -0.251 0.000 -3.100) 3.110 18.954 ( 10.478 0.000 0.594) 10.495 19.169 ( -11.432 0.000 -2.064) 11.617 19.523 ( 6.957 0.000 4.895) 8.507 21.518 ( 2.947 0.000 0.578) 3.003 21.769 ( 10.077 0.000 0.481) 10.089 22.221 ( 2.051 0.000 -0.396) 2.089 22.433 ( 8.499 0.000 -1.040) 8.562 27.421 ( -5.085 0.000 2.064) 5.488 27.940 ( -3.597 0.000 -7.693) 8.492 28.114 ( -4.865 0.000 12.549) 13.459 29.348 ( 3.395 0.000 -9.816) 10.386 29.851 ( -2.343 0.000 -0.968) 2.534 29.923 ( 1.334 0.000 -0.093) 1.338 30.251 ( -2.427 0.000 2.635) 3.583 30.324 ( -5.115 0.000 -7.096) 8.747 30.759 ( -1.556 0.000 1.530) 2.182 31.016 ( 1.275 0.000 -3.128) 3.378 31.588 ( 1.542 0.000 1.091) 1.889 31.665 ( 2.581 0.000 -2.334) 3.480 32.110 ( -1.839 0.000 5.511) 5.809 32.345 ( -3.247 0.000 2.775) 4.271 32.432 ( 0.010 0.000 16.957) 16.957 32.546 ( -3.222 0.000 -4.390) 5.445 32.719 ( -3.898 0.000 -3.877) 5.498 33.366 ( 5.693 0.000 0.455) 5.711 33.392 ( -2.642 0.000 -3.046) 4.032 33.642 ( -4.591 0.000 -9.910) 10.922 34.003 ( -4.810 0.000 5.695) 7.454 34.318 ( -1.643 0.000 -3.096) 3.505 34.568 ( -3.305 0.000 3.089) 4.523 34.915 ( 4.571 0.000 -0.893) 4.657 35.606 ( -8.721 0.000 -5.626) 10.379 36.634 ( 3.384 0.000 16.811) 17.148 36.800 ( 13.111 0.000 -1.477) 13.194 37.134 ( 2.560 0.000 -8.116) 8.510 ======================= Grid point 55 (23/88) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -35.604 0.000 26.217) 44.215 1.045 ( -33.675 0.000 30.214) 45.243 1.714 ( -64.265 0.000 32.183) 71.873 2.618 ( -2.048 0.000 -1.694) 2.658 2.671 ( 3.196 0.000 3.558) 4.782 2.697 ( 3.181 0.000 1.441) 3.492 2.735 ( 1.264 0.000 2.751) 3.028 3.203 ( 3.402 0.000 -5.957) 6.860 3.231 ( -3.920 0.000 3.959) 5.571 3.524 ( -3.591 0.000 8.644) 9.361 3.767 ( -20.323 0.000 0.310) 20.325 4.059 ( -6.595 0.000 -7.955) 10.333 4.179 ( -3.019 0.000 4.634) 5.531 4.428 ( 15.707 0.000 8.514) 17.866 4.615 ( 0.559 0.000 -5.576) 5.604 4.639 ( -4.759 0.000 -2.781) 5.511 4.811 ( 6.149 0.000 -5.398) 8.182 5.008 ( 0.955 0.000 0.510) 1.083 5.106 ( -11.941 0.000 1.336) 12.016 5.140 ( -1.098 0.000 -8.148) 8.222 5.185 ( -4.880 0.000 -5.707) 7.508 5.434 ( 3.833 0.000 -3.878) 5.453 5.439 ( 3.191 0.000 -0.248) 3.201 5.703 ( -15.242 0.000 5.484) 16.198 5.751 ( 3.784 0.000 6.224) 7.284 5.785 ( -9.207 0.000 4.626) 10.304 5.998 ( 6.251 0.000 -0.853) 6.309 6.220 ( 12.157 0.000 -7.463) 14.265 6.288 ( -9.460 0.000 -3.367) 10.041 6.664 ( 3.234 0.000 3.094) 4.475 6.727 ( 2.964 0.000 5.300) 6.072 6.775 ( -5.099 0.000 1.119) 5.221 6.975 ( -12.746 0.000 -6.295) 14.216 7.117 ( 6.817 0.000 -6.696) 9.555 7.159 ( 7.575 0.000 6.739) 10.138 7.218 ( 7.691 0.000 -6.428) 10.023 7.454 ( -9.217 0.000 7.136) 11.657 7.782 ( -5.814 0.000 -4.803) 7.541 7.830 ( -3.978 0.000 -3.033) 5.002 8.147 ( -0.368 0.000 10.494) 10.501 8.165 ( 3.532 0.000 -17.461) 17.815 8.397 ( -3.315 0.000 4.470) 5.565 8.469 ( -0.414 0.000 3.313) 3.339 8.485 ( 4.223 0.000 3.480) 5.472 8.595 ( -8.787 0.000 3.755) 9.556 8.775 ( -0.487 0.000 -2.986) 3.025 9.000 ( -1.361 0.000 7.296) 7.422 9.125 ( 3.244 0.000 -0.820) 3.346 9.405 ( 7.236 0.000 -7.054) 10.105 9.413 ( 5.327 0.000 -3.871) 6.585 9.723 ( -0.262 0.000 11.353) 11.356 9.946 ( 6.449 0.000 4.271) 7.735 10.033 ( -4.993 0.000 -11.650) 12.675 10.203 ( 6.073 0.000 -9.116) 10.954 10.460 ( 10.386 0.000 -5.272) 11.648 10.575 ( 9.281 0.000 0.423) 9.291 10.602 ( 2.308 0.000 -4.035) 4.648 10.818 ( 2.987 0.000 -14.969) 15.264 10.948 ( -4.741 0.000 10.300) 11.338 11.159 ( -2.426 0.000 -2.641) 3.586 11.168 ( -9.251 0.000 7.204) 11.725 11.293 ( -4.187 0.000 1.849) 4.577 11.786 ( 5.520 0.000 4.100) 6.876 11.857 ( 8.859 0.000 4.325) 9.858 11.954 ( -2.772 0.000 -4.189) 5.023 12.157 ( 1.846 0.000 1.045) 2.122 12.327 ( 11.881 0.000 0.871) 11.913 12.449 ( 39.406 0.000 72.540) 82.553 12.658 ( -3.234 0.000 -0.871) 3.349 12.840 ( 0.732 0.000 -1.598) 1.758 13.318 ( 10.566 0.000 1.532) 10.676 13.364 ( 2.399 0.000 -0.328) 2.422 13.550 ( -1.070 0.000 -5.571) 5.673 13.616 ( -0.367 0.000 -0.473) 0.598 14.251 ( 2.771 0.000 -3.074) 4.139 14.282 ( -2.259 0.000 -5.799) 6.223 14.425 ( 5.950 0.000 4.636) 7.542 14.505 ( 2.718 0.000 -3.151) 4.161 14.890 ( -5.719 0.000 0.431) 5.736 15.146 ( 5.109 0.000 -9.272) 10.587 15.244 ( -9.595 0.000 -0.429) 9.604 15.514 ( -7.009 0.000 -1.621) 7.194 15.667 ( -6.712 0.000 5.050) 8.399 15.902 ( -11.570 0.000 -16.333) 20.016 16.114 ( 11.516 0.000 11.139) 16.022 16.590 ( -1.153 0.000 4.170) 4.327 16.653 ( 0.557 0.000 -1.416) 1.522 16.695 ( -20.911 0.000 -3.229) 21.159 16.916 ( -1.248 0.000 -3.589) 3.800 17.031 ( -1.812 0.000 -7.184) 7.409 17.246 ( 0.531 0.000 -3.482) 3.522 17.364 ( -3.941 0.000 3.685) 5.396 17.465 ( -8.845 0.000 9.787) 13.192 17.826 ( 3.104 0.000 2.024) 3.706 17.921 ( 0.221 0.000 -0.109) 0.246 18.429 ( 2.369 0.000 -1.254) 2.680 18.431 ( 12.480 0.000 0.739) 12.501 18.905 ( -12.566 0.000 -3.454) 13.032 19.099 ( 4.684 0.000 -4.957) 6.820 19.497 ( -13.503 0.000 -19.347) 23.593 21.583 ( 2.363 0.000 1.443) 2.769 21.966 ( 7.490 0.000 -1.954) 7.741 22.239 ( 1.460 0.000 -0.945) 1.739 22.588 ( 7.360 0.000 -1.676) 7.549 27.337 ( -4.133 0.000 0.872) 4.224 27.822 ( -2.308 0.000 -4.680) 5.218 28.049 ( -8.735 0.000 6.533) 10.907 28.835 ( -43.356 0.000 -81.437) 92.259 29.814 ( -1.121 0.000 0.394) 1.188 29.938 ( 0.496 0.000 -1.093) 1.201 30.074 ( -10.333 0.000 -9.163) 13.811 30.202 ( -3.414 0.000 0.939) 3.541 30.744 ( -1.174 0.000 1.706) 2.072 30.999 ( 0.510 0.000 -2.988) 3.031 31.620 ( 0.593 0.000 1.518) 1.630 31.709 ( 3.275 0.000 -1.888) 3.780 32.113 ( -2.002 0.000 5.524) 5.876 32.274 ( -4.212 0.000 -0.200) 4.217 32.481 ( -4.923 0.000 -5.928) 7.705 32.503 ( -0.071 0.000 1.325) 1.327 32.681 ( -1.210 0.000 4.923) 5.070 33.471 ( 1.491 0.000 2.894) 3.255 33.517 ( 1.671 0.000 -8.929) 9.084 33.715 ( 28.487 0.000 48.355) 56.122 33.945 ( -2.541 0.000 6.853) 7.309 34.253 ( -1.249 0.000 -4.802) 4.962 34.532 ( -2.572 0.000 2.882) 3.863 34.935 ( -0.378 0.000 -10.972) 10.979 35.420 ( -6.444 0.000 9.453) 11.440 36.981 ( 17.459 0.000 27.300) 32.405 37.043 ( 10.520 0.000 -0.485) 10.531 37.110 ( 2.089 0.000 -8.114) 8.379 ======================= Grid point 56 (24/88) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 4.536 31.319 22.935) 39.083 1.294 ( -1.022 31.871 27.680) 42.225 2.087 ( 0.374 36.907 52.498) 64.174 2.604 ( -0.652 0.189 -1.098) 1.291 2.713 ( 1.060 -1.689 -4.492) 4.915 2.760 ( 0.882 0.137 3.519) 3.630 2.871 ( 0.045 1.257 2.942) 3.199 3.267 ( 10.560 -2.128 -9.555) 14.400 3.350 ( 0.871 0.383 7.276) 7.338 3.443 ( 1.938 4.124 3.560) 5.782 3.741 ( -9.467 3.802 -0.676) 10.224 3.801 ( 2.754 5.830 8.354) 10.553 4.281 ( -1.861 -3.302 2.706) 4.657 4.451 ( 1.458 -6.280 -6.260) 8.986 4.496 ( 2.249 -5.892 -12.944) 14.398 4.731 ( 4.051 -9.206 -1.621) 10.188 4.798 ( -0.845 -7.045 -2.649) 7.574 4.863 ( -5.973 -7.266 1.163) 9.478 4.931 ( -3.675 -2.223 0.609) 4.338 5.102 ( 4.269 -3.622 0.973) 5.682 5.178 ( 4.840 3.184 0.307) 5.802 5.230 ( -2.106 0.305 3.709) 4.276 5.490 ( -3.855 -6.030 4.817) 8.627 5.651 ( -0.785 4.368 -3.502) 5.653 5.762 ( 3.730 6.362 -2.925) 7.934 5.926 ( 3.563 5.000 1.058) 6.230 6.082 ( -0.737 -0.487 -0.829) 1.211 6.231 ( -9.105 5.762 -1.058) 10.827 6.366 ( 2.689 0.691 -9.118) 9.531 6.472 ( -4.460 -4.802 -4.598) 8.006 6.597 ( 0.303 3.386 -1.999) 3.943 6.803 ( -5.233 5.461 -6.608) 10.044 6.920 ( 3.502 0.769 6.307) 7.254 7.157 ( -7.679 1.059 -1.209) 7.846 7.237 ( -0.595 -6.428 2.714) 7.003 7.271 ( -7.087 -4.567 -1.774) 8.616 7.385 ( 8.885 3.250 5.828) 11.111 7.540 ( 0.256 -0.725 -11.720) 11.745 7.841 ( 0.836 3.905 -12.036) 12.681 8.047 ( -6.027 -1.137 12.062) 13.532 8.079 ( 5.752 -0.179 -11.972) 13.284 8.329 ( -4.332 -1.959 -1.041) 4.866 8.343 ( -1.842 -1.064 1.580) 2.649 8.541 ( -7.012 4.471 1.620) 8.473 8.608 ( 3.268 1.223 -2.322) 4.191 8.849 ( 2.190 3.852 1.419) 4.652 8.989 ( 2.284 -5.510 8.251) 10.182 9.203 ( 2.915 -1.384 1.961) 3.776 9.374 ( -1.459 -8.017 -0.344) 8.156 9.463 ( -2.922 -2.915 8.704) 9.633 9.686 ( 3.341 5.943 -4.959) 8.431 9.908 ( -0.654 -7.631 -2.302) 7.997 10.093 ( -0.288 3.865 -12.498) 13.085 10.175 ( 2.386 -4.909 2.968) 6.213 10.428 ( -1.596 2.036 -6.734) 7.214 10.643 ( 3.395 -0.124 -7.293) 8.045 10.754 ( 6.138 -1.111 -4.055) 7.440 10.841 ( 3.321 -1.881 2.467) 4.544 10.921 ( 0.423 1.927 8.443) 8.670 11.185 ( 0.527 2.977 4.503) 5.424 11.226 ( -2.746 8.374 9.536) 12.984 11.322 ( -3.722 4.902 -2.893) 6.801 11.769 ( -2.450 -4.260 -0.581) 4.949 11.922 ( 5.840 -5.200 9.495) 12.301 12.095 ( -0.244 4.489 3.848) 5.917 12.238 ( -2.464 -7.675 9.464) 12.431 12.315 ( -0.902 -2.287 18.821) 18.980 12.712 ( 1.820 5.238 5.823) 8.041 12.961 ( 5.185 2.509 4.477) 7.295 13.011 ( -2.178 -9.311 10.207) 13.986 13.249 ( 2.576 -6.616 -3.870) 8.086 13.450 ( -2.249 -1.349 -7.956) 8.377 13.565 ( -3.135 -0.222 -4.852) 5.780 13.786 ( 0.144 -26.032 2.102) 26.117 14.174 ( -1.657 -1.994 -19.925) 20.093 14.552 ( -14.377 -2.605 -8.666) 16.988 14.601 ( -3.480 0.505 2.122) 4.107 14.658 ( -3.940 -2.468 -12.385) 13.228 14.888 ( 7.772 3.266 2.130) 8.696 14.961 ( 17.456 -2.724 -4.009) 18.116 15.240 ( -5.231 2.686 -1.433) 6.052 15.348 ( 11.545 8.822 -1.961) 14.662 15.414 ( 0.766 -4.108 1.636) 4.488 15.561 ( -0.967 -2.259 1.538) 2.899 16.123 ( -14.982 -4.614 -2.808) 15.926 16.415 ( 6.318 2.493 -8.585) 10.947 16.481 ( 2.495 -9.393 -1.686) 9.864 16.697 ( 2.667 3.630 7.974) 9.158 16.761 ( 0.948 -4.691 -2.472) 5.386 16.951 ( -0.189 3.527 4.876) 6.021 17.178 ( -1.466 -4.043 4.388) 6.144 17.300 ( 4.298 -0.797 2.231) 4.908 17.635 ( 1.287 10.115 6.975) 12.354 17.994 ( 1.398 5.240 4.007) 6.743 18.068 ( -3.313 6.327 0.643) 7.171 18.462 ( 3.768 -5.066 -2.273) 6.710 18.505 ( -11.249 -4.307 -3.620) 12.578 18.643 ( 9.759 -4.152 2.145) 10.820 18.765 ( -8.363 12.190 0.172) 14.784 19.233 ( -0.654 5.746 -3.102) 6.563 21.926 ( 4.215 11.591 -7.734) 14.558 22.001 ( -4.718 6.094 -4.518) 8.934 22.297 ( -0.976 -0.779 3.678) 3.884 22.613 ( 0.608 -4.094 -1.676) 4.466 27.280 ( 0.363 2.738 0.425) 2.794 27.320 ( -0.627 2.739 -0.262) 2.822 27.775 ( 5.330 -4.598 0.530) 7.059 27.869 ( -6.010 -4.702 -1.398) 7.758 29.837 ( 0.476 1.889 1.201) 2.289 29.945 ( -2.864 0.853 -0.722) 3.074 29.993 ( 4.103 1.154 1.846) 4.645 30.168 ( -1.107 -0.242 -1.693) 2.037 31.018 ( -0.733 10.213 -8.174) 13.102 31.036 ( 1.433 3.864 -4.826) 6.346 31.660 ( -0.896 2.887 -0.041) 3.023 31.755 ( 1.103 0.305 -0.971) 1.501 32.161 ( -0.873 3.254 5.049) 6.070 32.227 ( -3.621 1.366 2.205) 4.454 32.377 ( -3.222 5.553 -6.319) 9.009 32.548 ( 2.056 -0.208 4.705) 5.139 32.795 ( 1.663 3.707 8.103) 9.064 33.384 ( -0.667 -4.288 1.025) 4.458 33.638 ( 3.785 3.626 0.167) 5.244 33.850 ( -3.761 2.407 -4.029) 6.014 34.163 ( -0.131 -3.776 -2.271) 4.408 34.328 ( 2.548 -8.255 9.572) 12.894 34.468 ( -2.713 -1.614 -0.483) 3.193 34.808 ( 5.087 -5.058 -11.245) 13.338 35.839 ( 11.614 3.561 10.366) 15.970 36.553 ( -12.853 -19.641 18.372) 29.808 37.111 ( 0.286 0.324 -4.067) 4.090 37.486 ( 0.603 -1.491 -8.821) 8.967 ======================= Grid point 57 (25/88) ======================= q-point: ( 0.14 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 16.975 13.836 26.721) 34.548 1.857 ( 32.639 22.269 22.858) 45.647 2.551 ( -0.763 0.753 -1.645) 1.963 2.648 ( 1.180 2.309 4.985) 5.619 2.720 ( 7.911 9.504 14.621) 19.149 2.813 ( 1.402 0.484 5.134) 5.344 2.969 ( 10.035 15.065 25.795) 31.512 3.281 ( -2.342 0.397 2.949) 3.787 3.434 ( -1.050 5.544 6.391) 8.526 3.570 ( 0.198 6.870 4.307) 8.111 3.781 ( 26.203 4.580 -18.051) 32.146 4.039 ( -5.394 -2.202 0.740) 5.873 4.179 ( 5.221 0.646 5.546) 7.645 4.423 ( 0.896 -1.177 2.276) 2.715 4.582 ( -5.739 -4.675 -10.175) 12.583 4.615 ( 11.171 -12.591 0.678) 16.846 4.778 ( 5.061 -2.566 0.374) 5.687 4.849 ( -1.589 -4.669 0.183) 4.935 4.973 ( 5.307 -1.453 1.549) 5.716 5.093 ( 0.079 -6.012 -3.174) 6.799 5.273 ( 4.935 3.345 1.111) 6.065 5.320 ( 4.234 3.514 -0.630) 5.538 5.483 ( -0.629 -9.991 0.519) 10.024 5.657 ( -5.736 9.118 -3.222) 11.244 5.780 ( 5.636 3.166 -2.206) 6.831 5.866 ( -8.866 -0.805 -4.523) 9.986 6.023 ( 2.160 -1.951 4.070) 5.003 6.123 ( 2.742 -5.801 4.340) 7.746 6.317 ( -4.961 -1.008 -13.714) 14.618 6.448 ( 7.326 -4.598 -4.665) 9.828 6.580 ( -4.938 3.834 -1.007) 6.332 6.642 ( -23.942 -2.350 -10.521) 26.257 6.715 ( 6.213 5.809 -7.881) 11.596 7.119 ( -2.818 -2.076 4.818) 5.955 7.223 ( 6.224 -1.966 -1.935) 6.808 7.300 ( -0.236 2.128 6.302) 6.656 7.491 ( 1.822 -0.335 -5.149) 5.472 7.616 ( 8.313 2.684 3.228) 9.313 7.763 ( -4.129 0.702 -3.088) 5.204 8.033 ( -3.929 0.917 6.145) 7.351 8.087 ( 2.508 1.581 -7.363) 7.937 8.190 ( -6.432 -0.984 -5.281) 8.380 8.352 ( 6.969 1.355 -3.592) 7.957 8.441 ( -4.953 5.870 1.643) 7.854 8.635 ( 1.609 0.975 -3.317) 3.813 8.923 ( 2.322 2.605 3.550) 4.978 9.104 ( 1.279 -3.505 10.727) 11.358 9.257 ( -0.399 -4.808 0.752) 4.883 9.288 ( -1.997 -7.655 -2.845) 8.408 9.486 ( -4.895 -1.767 14.153) 15.080 9.697 ( 1.173 7.346 -2.945) 8.001 9.907 ( -2.120 -14.318 -10.914) 18.128 9.967 ( 0.535 11.496 -1.902) 11.665 10.201 ( -1.794 -7.138 1.502) 7.512 10.371 ( 1.282 6.534 -7.948) 10.369 10.613 ( -0.169 3.123 -7.362) 7.999 10.839 ( -0.302 -3.073 3.265) 4.494 10.850 ( -7.324 -1.509 -2.743) 7.965 10.904 ( 1.517 -1.040 1.879) 2.630 11.119 ( -5.934 2.936 3.218) 7.362 11.282 ( 0.602 -0.982 7.138) 7.231 11.375 ( 2.187 6.847 10.108) 12.403 11.679 ( -9.922 0.451 0.766) 9.962 11.956 ( -3.729 2.477 -1.249) 4.647 12.121 ( -2.275 -6.038 10.935) 12.696 12.269 ( 0.228 -2.801 6.852) 7.406 12.391 ( -7.176 -4.065 14.946) 17.071 12.662 ( -11.503 5.921 7.333) 14.871 12.878 ( -2.938 6.499 0.252) 7.137 13.125 ( 0.639 -0.648 1.686) 1.917 13.278 ( -3.933 -0.479 -9.067) 9.895 13.312 ( 3.177 -8.310 3.013) 9.393 13.408 ( -5.466 -0.944 -7.908) 9.659 13.792 ( -1.515 -20.658 -5.540) 21.441 13.865 ( -16.540 -4.383 4.692) 17.743 13.950 ( -8.657 -7.706 -16.623) 20.265 14.476 ( -7.580 6.037 4.468) 10.671 14.730 ( 6.078 -0.534 -4.226) 7.422 14.834 ( -5.944 10.815 -0.346) 12.345 15.135 ( -4.389 -1.516 -3.424) 5.769 15.242 ( 9.946 -4.707 -0.355) 11.010 15.387 ( 7.303 -1.179 -4.589) 8.706 15.603 ( 8.480 2.856 -2.464) 9.281 15.708 ( -1.523 -10.557 -1.068) 10.719 16.118 ( 8.380 -1.742 4.569) 9.702 16.478 ( 3.383 -3.037 -7.374) 8.663 16.598 ( 10.701 -7.134 -9.242) 15.837 16.773 ( 13.103 -3.059 -5.136) 14.402 16.929 ( 4.323 0.445 8.234) 9.310 17.036 ( 2.876 4.505 10.564) 11.839 17.126 ( -3.595 -1.912 -2.328) 4.690 17.449 ( 4.972 1.655 1.520) 5.456 17.733 ( 0.827 2.434 7.694) 8.112 17.978 ( 1.877 9.624 5.062) 11.035 18.067 ( 1.650 8.363 5.337) 10.057 18.318 ( -6.475 -1.009 -3.870) 7.611 18.659 ( 1.987 0.176 -3.245) 3.809 18.685 ( 7.392 1.014 -7.863) 10.840 18.820 ( 6.534 -7.458 -2.082) 10.132 19.219 ( 3.885 5.163 -3.221) 7.220 21.787 ( -8.867 11.508 -0.628) 14.541 21.902 ( -5.624 3.673 -2.754) 7.260 22.245 ( -4.811 -0.338 2.293) 5.341 22.535 ( -6.443 -3.340 -2.292) 7.610 27.350 ( 3.546 1.922 0.388) 4.052 27.600 ( 16.871 -6.892 -8.465) 20.095 27.793 ( 3.709 -2.638 -6.189) 7.682 28.077 ( 23.632 -8.930 0.365) 25.265 29.868 ( 1.213 0.861 1.625) 2.203 29.915 ( 0.051 0.712 -0.215) 0.745 30.106 ( 4.142 0.197 0.659) 4.199 30.176 ( 4.804 0.795 -1.332) 5.048 30.942 ( -0.958 11.742 -5.154) 12.859 31.028 ( 0.316 2.238 -2.263) 3.198 31.627 ( -2.116 1.738 -0.317) 2.756 31.756 ( -0.595 -0.016 -0.209) 0.630 32.166 ( -1.494 1.947 -0.385) 2.485 32.202 ( -1.944 2.383 8.472) 9.013 32.324 ( 1.450 8.542 -3.345) 9.287 32.640 ( 3.260 0.186 4.680) 5.706 32.936 ( 4.331 1.437 10.391) 11.348 33.368 ( -1.273 -1.108 -1.526) 2.275 33.671 ( -2.672 -1.019 -2.160) 3.584 33.799 ( 3.240 3.206 0.311) 4.568 34.124 ( -2.019 -3.044 -2.106) 4.217 34.301 ( -2.273 2.724 -1.516) 3.858 34.462 ( 0.421 -4.031 1.988) 4.514 34.838 ( 3.772 -4.973 -7.690) 9.904 36.087 ( 5.182 -7.113 8.646) 12.337 36.366 ( -17.989 -11.293 16.125) 26.667 36.955 ( -9.982 3.925 -7.428) 13.047 37.358 ( -4.730 -0.125 -2.154) 5.199 ======================= Grid point 58 (26/88) ======================= q-point: ( 0.29 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 11.319 -2.397 14.415) 18.483 2.490 ( -1.237 -0.753 -0.918) 1.715 2.580 ( 13.183 10.037 16.700) 23.525 2.653 ( 0.954 4.403 2.505) 5.155 2.846 ( 9.901 5.833 6.216) 13.065 2.908 ( 4.305 6.602 7.087) 10.600 3.183 ( -5.292 -0.701 -3.042) 6.145 3.395 ( -2.793 7.443 4.922) 9.350 3.565 ( 7.178 8.410 18.996) 21.979 3.632 ( -0.086 4.363 -1.498) 4.614 3.862 ( 0.496 1.560 -5.703) 5.933 4.099 ( 10.801 6.186 -7.326) 14.443 4.237 ( -1.607 -0.376 5.446) 5.691 4.573 ( 9.716 -0.804 -9.355) 13.511 4.594 ( 9.335 -2.825 -5.064) 10.989 4.741 ( 6.151 2.046 1.518) 6.658 4.811 ( -0.806 6.907 4.752) 8.422 4.995 ( 9.473 -9.023 2.192) 13.265 5.099 ( 0.476 -0.305 -1.637) 1.732 5.142 ( 4.343 -0.402 2.711) 5.135 5.296 ( 4.844 -2.130 -5.059) 7.321 5.421 ( 6.639 1.853 -2.502) 7.333 5.431 ( 2.085 -4.032 -2.629) 5.246 5.649 ( 9.696 -3.123 2.916) 10.595 5.774 ( -2.859 4.489 2.901) 6.061 5.900 ( 4.370 0.596 -5.065) 6.717 6.001 ( -14.629 -1.849 -3.921) 15.258 6.091 ( -5.436 3.429 -10.209) 12.064 6.262 ( 1.695 -4.046 9.400) 10.373 6.308 ( 8.690 -13.463 2.987) 16.300 6.504 ( 3.282 -2.683 0.554) 4.275 6.561 ( 5.476 -3.989 -8.552) 10.910 6.808 ( 7.241 4.561 -6.619) 10.819 7.070 ( -10.638 2.331 9.268) 14.300 7.158 ( -3.374 2.678 5.970) 7.362 7.378 ( 1.547 -1.763 -8.464) 8.783 7.529 ( 2.927 0.206 -0.075) 2.935 7.623 ( -9.546 -1.632 8.781) 13.073 7.751 ( 2.615 -1.126 -3.616) 4.602 7.942 ( -2.425 4.355 -4.262) 6.558 8.058 ( -4.407 -1.455 3.639) 5.898 8.121 ( 3.134 1.696 -2.136) 4.155 8.354 ( -5.551 6.862 3.852) 9.630 8.548 ( 10.288 -1.391 -2.096) 10.591 8.620 ( 1.546 0.263 -4.218) 4.501 8.967 ( -2.262 -2.414 5.070) 6.054 9.081 ( -7.131 -2.303 -1.795) 7.706 9.232 ( -0.792 -1.745 -1.519) 2.446 9.296 ( -1.394 -6.078 6.207) 8.799 9.495 ( -3.271 0.132 11.654) 12.106 9.695 ( -0.016 5.148 -0.180) 5.151 9.711 ( -4.934 -4.268 -11.038) 12.822 10.014 ( 0.479 1.492 0.267) 1.590 10.149 ( -3.064 -7.837 -0.084) 8.415 10.336 ( 2.107 10.533 -9.707) 14.478 10.521 ( -3.047 3.113 -6.601) 7.909 10.620 ( -8.337 0.322 0.158) 8.345 10.894 ( 0.581 0.405 3.352) 3.426 10.964 ( 5.079 -4.473 -1.678) 6.972 11.062 ( -3.736 -0.697 4.740) 6.075 11.304 ( -9.149 0.934 5.349) 10.639 11.402 ( -7.957 -3.055 -2.519) 8.888 11.464 ( -0.523 6.901 6.907) 9.777 11.878 ( -2.201 6.543 -4.149) 8.055 12.176 ( -0.412 -4.520 8.949) 10.034 12.258 ( -6.733 -6.438 2.021) 9.533 12.295 ( -6.798 0.675 3.636) 7.738 12.559 ( -8.283 6.028 11.078) 15.088 12.811 ( -3.698 -0.662 -1.218) 3.949 12.994 ( -6.691 0.788 -9.951) 12.017 13.216 ( 0.690 -2.207 -2.426) 3.352 13.315 ( 2.361 -1.988 -4.408) 5.381 13.437 ( 3.761 1.689 2.589) 4.868 13.604 ( -3.343 -1.376 -14.360) 14.808 13.718 ( -6.202 -14.266 0.356) 15.560 13.808 ( -3.037 -19.650 7.012) 21.084 14.375 ( -6.500 6.626 5.131) 10.606 14.693 ( -2.702 5.032 -1.278) 5.853 14.827 ( 6.705 -3.908 -8.168) 11.267 15.009 ( -5.886 -1.981 -3.251) 7.010 15.419 ( 7.194 -1.825 3.032) 8.017 15.531 ( 5.222 -1.311 -1.126) 5.501 15.709 ( 5.360 -4.179 4.420) 8.108 15.874 ( 14.676 3.982 0.506) 15.215 16.267 ( 5.811 2.585 1.429) 6.518 16.483 ( 2.335 0.004 -5.431) 5.912 16.637 ( 2.408 -6.577 -5.545) 8.933 16.921 ( -1.408 2.534 -2.357) 3.736 17.014 ( 2.127 3.927 0.190) 4.470 17.080 ( 3.092 -8.363 -1.431) 9.030 17.199 ( 3.276 -1.555 7.211) 8.071 17.527 ( 2.736 0.279 1.858) 3.319 17.767 ( -0.778 -0.367 3.187) 3.301 18.020 ( -4.748 1.765 -1.371) 5.247 18.148 ( 2.863 8.170 5.159) 10.077 18.345 ( 9.680 10.241 3.906) 14.623 18.599 ( -3.445 -1.658 -9.495) 10.236 18.689 ( -0.009 7.122 0.941) 7.183 18.880 ( 2.893 -10.606 -6.202) 12.622 19.355 ( 9.575 4.676 -0.157) 10.657 21.629 ( -7.921 5.305 2.633) 9.891 21.735 ( -8.269 2.123 -1.780) 8.721 22.175 ( -3.105 -0.033 0.659) 3.174 22.367 ( -7.024 -1.970 -2.975) 7.879 27.448 ( 3.994 0.937 3.031) 5.101 27.707 ( 4.497 -5.701 -3.878) 8.232 27.930 ( 11.744 -1.463 -7.950) 14.258 28.522 ( 19.663 -12.672 -2.599) 23.536 29.897 ( 0.893 -0.260 0.358) 0.996 29.937 ( 1.188 0.377 1.018) 1.610 30.151 ( 2.600 1.029 -1.759) 3.304 30.321 ( 7.365 -0.191 0.922) 7.425 30.902 ( -0.406 10.166 -1.568) 10.295 31.017 ( 0.213 2.640 -1.644) 3.117 31.579 ( -2.047 1.176 -0.651) 2.449 31.731 ( -1.497 0.459 -0.264) 1.588 32.137 ( -1.687 2.443 1.732) 3.437 32.244 ( -0.837 1.845 8.019) 8.271 32.361 ( 3.444 8.963 -0.673) 9.626 32.738 ( 3.183 0.480 2.726) 4.218 33.081 ( 2.856 -0.108 4.014) 4.928 33.303 ( -2.522 1.462 -4.329) 5.219 33.567 ( -3.796 -0.125 -2.387) 4.486 33.907 ( 2.704 -2.371 5.511) 6.581 34.067 ( -1.396 1.698 -1.243) 2.525 34.288 ( 2.873 2.794 -5.459) 6.772 34.505 ( 2.128 -2.723 2.953) 4.546 34.831 ( 0.827 -1.263 -4.698) 4.935 36.114 ( -14.330 -8.678 14.579) 22.208 36.240 ( 0.837 -6.499 4.474) 7.934 36.704 ( -7.630 3.935 -8.553) 12.118 37.255 ( -4.726 -3.712 -1.691) 6.242 ======================= Grid point 59 (27/88) ======================= q-point: ( 0.43 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 0.186 -4.501 -0.106) 4.506 2.498 ( 0.309 -4.083 2.851) 4.989 2.620 ( -5.562 2.831 -1.412) 6.399 2.688 ( -0.536 -0.531 1.412) 1.600 2.918 ( -7.976 -0.452 1.064) 8.060 3.126 ( 6.754 10.314 6.504) 13.939 3.220 ( -2.593 1.650 1.767) 3.545 3.369 ( -1.771 6.669 -1.602) 7.084 3.575 ( -3.279 12.571 2.721) 13.274 3.641 ( -2.945 12.261 9.042) 15.517 3.879 ( 5.106 -0.426 6.440) 8.229 4.137 ( 1.711 11.861 -3.253) 12.417 4.341 ( 7.268 2.206 -10.276) 12.778 4.507 ( -5.067 7.104 -6.137) 10.668 4.606 ( 3.464 -7.387 0.553) 8.177 4.941 ( 1.419 -4.937 0.768) 5.194 4.967 ( 5.556 -1.161 2.388) 6.158 5.065 ( 1.737 -3.563 -3.366) 5.200 5.083 ( 3.259 -2.023 -4.922) 6.240 5.220 ( -4.974 -4.123 1.105) 6.555 5.334 ( 4.378 -2.176 -3.283) 5.889 5.483 ( 4.592 1.024 -2.359) 5.263 5.633 ( 2.173 -6.639 -5.828) 9.097 5.749 ( 0.695 1.770 -2.411) 3.071 5.809 ( 9.284 -1.445 5.230) 10.753 5.866 ( 6.155 8.196 2.011) 10.445 5.941 ( 8.171 4.995 -1.331) 9.669 6.073 ( -0.153 4.652 0.930) 4.746 6.212 ( -6.612 -2.585 2.715) 7.600 6.422 ( -4.357 -5.761 -5.709) 9.207 6.628 ( 6.056 -9.065 5.435) 12.181 6.729 ( 7.895 -1.917 14.692) 16.788 6.885 ( 2.599 1.797 -4.308) 5.343 6.994 ( -0.527 2.298 10.602) 10.861 7.225 ( -9.016 -4.463 -0.416) 10.069 7.281 ( 6.170 3.153 4.881) 8.476 7.493 ( -4.569 -9.099 3.401) 10.735 7.593 ( -0.039 0.640 2.994) 3.062 7.716 ( 0.382 1.562 -4.206) 4.503 7.906 ( 1.286 -0.053 -1.323) 1.846 8.066 ( -1.557 -0.043 8.504) 8.646 8.129 ( -1.151 6.200 -1.660) 6.521 8.323 ( -1.896 3.006 7.707) 8.486 8.510 ( -1.079 -1.135 -10.610) 10.725 8.752 ( 2.957 -3.708 2.109) 5.190 8.866 ( -4.017 -1.674 -0.438) 4.374 9.006 ( 0.213 -0.517 -1.633) 1.726 9.127 ( -6.082 -6.544 0.996) 8.989 9.332 ( -0.805 0.517 2.452) 2.632 9.506 ( -7.174 0.052 5.577) 9.087 9.528 ( -1.527 0.022 -11.634) 11.733 9.737 ( 4.489 1.740 0.708) 4.866 9.972 ( -2.203 -6.473 -3.174) 7.539 10.094 ( -2.752 -1.114 2.778) 4.066 10.327 ( 5.425 0.656 -8.390) 10.013 10.479 ( 0.469 9.883 -3.949) 10.653 10.524 ( -0.958 0.062 1.199) 1.536 10.902 ( -2.179 12.891 -8.708) 15.709 10.976 ( -3.672 -5.015 0.823) 6.270 11.062 ( -6.535 -6.477 3.266) 9.763 11.114 ( 6.676 -0.789 2.125) 7.050 11.408 ( 0.150 -1.226 5.584) 5.719 11.483 ( -0.516 2.430 2.018) 3.200 11.811 ( -0.348 3.634 -5.681) 6.753 12.057 ( -13.986 0.617 1.883) 14.126 12.168 ( -2.944 0.417 -4.994) 5.812 12.241 ( -0.161 -3.234 2.351) 4.001 12.427 ( -9.339 1.475 1.119) 9.521 12.774 ( -1.151 -2.673 0.391) 2.936 12.841 ( 0.893 2.358 -7.698) 8.100 13.201 ( 1.216 -2.342 -4.220) 4.977 13.346 ( -1.937 -1.884 -11.208) 11.529 13.446 ( 1.605 -0.850 -0.655) 1.931 13.517 ( 2.995 0.339 4.325) 5.272 13.674 ( -0.695 -13.664 -0.276) 13.684 13.908 ( 3.423 -10.576 16.559) 19.944 14.307 ( -4.067 5.883 4.964) 8.706 14.721 ( 5.444 -2.014 -1.568) 6.012 14.830 ( -5.615 -2.816 -2.607) 6.801 14.898 ( 3.349 -3.065 -8.836) 9.934 15.542 ( 2.682 -5.013 3.264) 6.556 15.608 ( 1.492 -2.837 5.204) 6.112 15.835 ( 1.237 2.079 6.522) 6.956 16.141 ( 8.633 6.128 -0.841) 10.620 16.369 ( 4.491 1.311 -2.415) 5.264 16.487 ( 1.165 6.028 -2.776) 6.738 16.628 ( -0.241 -3.695 -0.741) 3.776 16.837 ( -1.562 1.568 -5.473) 5.904 17.028 ( 0.901 0.836 -0.044) 1.230 17.135 ( 1.054 -4.095 1.545) 4.502 17.242 ( -1.886 -5.921 1.938) 6.509 17.568 ( 0.290 -2.371 0.230) 2.400 17.771 ( -0.757 -0.157 0.178) 0.794 17.908 ( -2.568 0.312 -1.513) 2.997 18.213 ( -2.893 6.054 -1.029) 6.788 18.462 ( 5.401 2.866 0.812) 6.168 18.474 ( -4.053 1.957 -7.433) 8.690 18.733 ( 0.170 10.052 -1.793) 10.212 18.951 ( 8.446 -4.100 7.814) 12.214 19.511 ( 3.907 6.129 1.042) 7.342 21.518 ( -4.882 1.505 1.872) 5.441 21.596 ( -3.324 -0.189 -1.281) 3.567 22.144 ( -0.476 -0.067 0.760) 0.899 22.258 ( -1.376 -1.037 -1.985) 2.629 27.515 ( 0.131 0.736 2.781) 2.880 27.802 ( 5.111 -6.221 3.264) 8.688 28.057 ( 6.273 -0.120 -6.079) 8.736 28.803 ( 10.028 -15.456 0.321) 18.427 29.910 ( 0.305 0.312 -0.166) 0.467 29.950 ( -0.435 -0.672 -0.198) 0.825 30.199 ( 2.622 1.269 0.602) 2.974 30.426 ( 2.161 -1.225 -0.373) 2.512 30.901 ( 0.710 9.564 0.528) 9.605 31.014 ( 0.622 2.774 -1.027) 3.023 31.550 ( -0.302 1.236 -0.251) 1.297 31.701 ( -0.884 1.290 -0.861) 1.785 32.126 ( -1.494 2.946 3.285) 4.658 32.288 ( -1.329 1.161 8.270) 8.456 32.436 ( 3.090 9.639 2.768) 10.494 32.777 ( -0.652 0.749 -1.651) 1.926 33.059 ( -2.795 0.050 -8.003) 8.477 33.238 ( 0.139 1.750 -3.957) 4.329 33.521 ( -1.196 -0.349 1.600) 2.028 33.936 ( -2.745 -3.953 0.946) 4.904 34.066 ( 0.986 5.122 1.241) 5.361 34.308 ( 3.027 0.790 -4.787) 5.718 34.574 ( 1.057 -1.307 3.923) 4.268 34.816 ( 1.103 1.041 -2.302) 2.757 35.940 ( -11.052 -4.038 6.752) 13.566 36.302 ( 0.515 -9.625 6.561) 11.660 36.558 ( 0.079 2.551 -7.528) 7.949 37.156 ( -2.464 -4.979 -4.072) 6.888 ======================= Grid point 60 (28/88) ======================= q-point: (-0.43 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -12.251 -2.482 -1.126) 12.550 2.419 ( -14.262 7.235 -2.910) 16.255 2.521 ( 0.946 -3.998 1.104) 4.254 2.651 ( -2.553 1.211 0.233) 2.835 2.812 ( -3.222 -0.377 -0.633) 3.305 2.970 ( -14.340 9.975 -1.385) 17.523 3.050 ( -7.308 5.075 -9.820) 13.251 3.375 ( 4.044 3.707 5.355) 7.666 3.552 ( -9.874 11.541 1.724) 15.287 3.685 ( 0.085 11.912 7.809) 14.244 4.029 ( 2.556 -2.354 9.068) 9.711 4.229 ( 0.076 4.450 -3.665) 5.765 4.256 ( -2.857 14.257 1.440) 14.612 4.478 ( 5.737 4.431 -8.400) 11.095 4.749 ( 1.815 -3.346 4.125) 5.613 4.831 ( -7.468 -5.406 -3.995) 10.048 4.970 ( -3.525 -0.619 -6.228) 7.183 4.999 ( -4.782 -3.020 -6.097) 8.316 5.076 ( -3.477 1.654 -3.167) 4.985 5.209 ( 3.835 -2.219 1.308) 4.620 5.266 ( 1.426 -9.064 -7.816) 12.053 5.480 ( 1.387 -5.012 1.258) 5.351 5.557 ( -5.413 -2.389 -3.324) 6.787 5.718 ( -2.292 -2.798 2.522) 4.410 5.785 ( -11.895 3.079 -7.600) 14.448 5.888 ( -7.076 -5.598 6.825) 11.313 6.150 ( 8.322 7.447 5.696) 12.536 6.214 ( 3.918 5.227 2.517) 7.001 6.276 ( 6.780 -0.628 4.708) 8.278 6.434 ( 5.154 -2.394 2.752) 6.314 6.609 ( -6.514 -6.657 2.337) 9.603 6.779 ( -4.392 4.940 1.906) 6.879 6.913 ( 2.659 1.032 2.127) 3.558 6.961 ( -7.398 -4.731 6.382) 10.856 7.238 ( 1.546 -5.303 2.678) 6.138 7.378 ( -1.690 7.149 8.289) 11.076 7.555 ( 7.635 -6.038 9.691) 13.735 7.725 ( 10.622 -1.358 5.572) 12.072 7.753 ( 5.791 0.450 -2.192) 6.208 7.866 ( -9.143 0.517 0.606) 9.177 8.076 ( -0.999 5.666 1.819) 6.034 8.194 ( 5.879 0.440 5.816) 8.282 8.350 ( -2.908 -2.837 9.053) 9.923 8.437 ( 3.879 0.952 -12.123) 12.764 8.744 ( -1.243 -0.522 1.655) 2.134 8.851 ( -0.088 -6.265 -2.580) 6.776 8.977 ( -1.191 -1.566 -3.171) 3.732 9.148 ( 4.358 -5.767 4.600) 8.568 9.263 ( -4.379 -2.094 -0.826) 4.924 9.321 ( -4.911 -0.332 -4.309) 6.542 9.522 ( 1.979 5.211 -3.310) 6.482 9.841 ( 5.981 2.905 -2.667) 7.164 9.929 ( 1.062 -9.538 -3.820) 10.330 10.106 ( 2.041 -1.388 1.816) 3.064 10.398 ( 1.655 0.768 -3.019) 3.527 10.427 ( 3.220 7.545 -3.590) 8.954 10.598 ( 5.579 1.079 -3.367) 6.605 10.717 ( 0.019 9.451 -14.177) 17.038 10.996 ( -1.320 -3.156 6.432) 7.285 11.022 ( -0.768 -4.736 2.005) 5.200 11.255 ( 2.177 1.819 4.610) 5.413 11.434 ( -3.792 -1.153 8.084) 9.003 11.492 ( 2.849 -3.729 -3.355) 5.769 11.791 ( -0.423 -2.743 -5.409) 6.079 11.827 ( -1.646 6.096 -3.899) 7.421 12.111 ( -0.480 2.132 -1.675) 2.753 12.222 ( -2.569 -1.395 -1.525) 3.297 12.256 ( -4.907 3.234 -4.652) 7.495 12.742 ( 1.430 -2.848 -5.702) 6.532 12.902 ( 6.595 3.102 -2.754) 7.791 13.148 ( -4.177 -0.465 -9.988) 10.836 13.233 ( 3.118 -0.877 -2.817) 4.292 13.498 ( 0.495 -4.117 3.075) 5.162 13.606 ( 0.383 0.302 4.540) 4.566 13.754 ( 6.283 -11.457 6.756) 14.710 14.122 ( 4.973 -5.824 12.994) 15.083 14.298 ( -0.556 4.553 4.048) 6.118 14.682 ( -4.348 -0.740 -2.936) 5.299 14.848 ( 7.639 -4.637 -3.015) 9.431 14.903 ( 2.633 -3.724 -6.945) 8.309 15.602 ( -1.642 -6.995 5.906) 9.301 15.648 ( -1.058 -2.009 7.523) 7.858 15.848 ( -4.721 3.294 6.087) 8.378 16.087 ( -9.564 5.686 -2.889) 11.495 16.386 ( -5.541 7.419 -3.212) 9.801 16.498 ( 6.691 3.754 -2.838) 8.180 16.650 ( 1.479 -6.458 -3.265) 7.386 16.800 ( 1.769 -0.025 -3.910) 4.291 17.046 ( 0.169 -3.942 -1.623) 4.266 17.147 ( -2.432 2.169 4.958) 5.933 17.201 ( -2.245 -5.535 1.325) 6.118 17.544 ( -3.234 -3.383 -0.855) 4.758 17.724 ( -1.451 1.058 -0.503) 1.865 17.930 ( 2.404 -3.291 0.355) 4.090 18.086 ( -3.894 4.315 -3.968) 7.037 18.284 ( -5.437 4.951 -11.173) 13.376 18.571 ( -3.185 7.400 0.261) 8.061 18.747 ( 7.721 2.905 2.795) 8.709 19.208 ( 5.363 -0.442 11.362) 12.572 19.498 ( -3.950 6.167 -0.553) 7.344 21.483 ( 0.919 0.675 0.325) 1.186 21.613 ( 5.616 -0.206 -0.271) 5.626 22.165 ( 1.712 -0.494 0.926) 2.008 22.282 ( 4.499 -1.540 -0.843) 4.829 27.504 ( -3.104 1.288 2.504) 4.191 27.911 ( 1.379 -7.485 4.039) 8.616 28.083 ( -0.579 -0.086 -0.254) 0.638 28.918 ( 0.420 -22.980 0.846) 22.999 29.902 ( -1.128 -0.034 -0.510) 1.238 29.927 ( -0.839 0.800 -0.802) 1.410 30.244 ( 0.011 0.023 2.433) 2.433 30.394 ( -3.816 -2.156 -2.090) 4.856 30.937 ( 2.117 10.194 0.992) 10.459 31.027 ( 1.408 2.561 -0.520) 2.969 31.566 ( 1.676 1.671 0.663) 2.458 31.691 ( 0.841 2.213 -1.338) 2.719 32.127 ( -1.637 3.047 4.644) 5.790 32.319 ( -2.167 0.475 8.153) 8.449 32.517 ( 1.346 9.973 6.022) 11.728 32.680 ( -4.823 0.461 -6.339) 7.979 32.907 ( -4.842 2.630 -7.728) 9.491 33.261 ( 3.197 -0.429 -0.206) 3.233 33.507 ( 0.926 2.051 -4.428) 4.967 33.834 ( -4.089 0.163 -7.013) 8.120 34.088 ( -2.211 5.738 4.652) 7.711 34.321 ( 0.890 -1.730 -2.285) 3.001 34.587 ( -2.441 -1.174 3.582) 4.491 34.847 ( 3.138 0.762 -1.243) 3.460 35.779 ( -8.314 -1.768 0.578) 8.520 36.370 ( 0.147 -10.428 9.574) 14.157 36.604 ( 9.381 1.442 -4.962) 10.710 37.109 ( 2.131 -4.204 -6.431) 7.973 ======================= Grid point 61 (29/88) ======================= q-point: (-0.29 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -28.316 13.401 -0.092) 31.327 1.948 ( -28.145 21.254 2.645) 35.368 2.580 ( 3.993 -1.236 0.558) 4.217 2.626 ( -1.180 0.436 0.543) 1.371 2.739 ( -3.066 3.031 -3.423) 5.505 2.780 ( -5.907 3.755 -1.923) 7.258 2.949 ( -11.893 4.641 4.605) 13.571 3.173 ( -15.962 3.950 1.938) 16.557 3.445 ( -7.873 13.207 6.113) 16.546 3.679 ( -9.721 1.362 -0.506) 9.829 3.921 ( -3.750 5.555 1.670) 6.907 4.178 ( 0.992 3.562 -6.217) 7.233 4.280 ( -3.244 9.040 2.016) 9.814 4.449 ( -1.863 -1.360 3.127) 3.885 4.631 ( -9.023 -7.221 -0.838) 11.587 4.750 ( -3.976 0.792 4.708) 6.213 4.780 ( -7.616 0.485 -9.704) 12.345 4.988 ( 4.634 -2.721 -5.219) 7.491 5.084 ( 6.607 0.232 -0.655) 6.644 5.163 ( -7.558 -13.658 -5.367) 16.506 5.234 ( -4.729 -9.750 -7.873) 13.395 5.339 ( -7.465 0.423 -4.374) 8.662 5.515 ( -2.521 -3.638 2.513) 5.090 5.661 ( -4.404 3.533 2.467) 6.162 5.742 ( 13.623 -2.306 2.007) 13.962 5.778 ( -3.354 -5.532 0.745) 6.512 6.145 ( -9.564 5.988 4.881) 12.294 6.234 ( -3.608 9.721 8.707) 13.540 6.418 ( 5.820 -1.055 -1.344) 6.066 6.599 ( 2.405 0.252 1.060) 2.640 6.672 ( 9.608 -7.018 3.002) 12.272 6.739 ( 0.512 6.354 -1.548) 6.559 6.832 ( -7.966 -3.545 9.513) 12.905 7.031 ( 6.510 3.450 1.405) 7.500 7.215 ( -3.130 -4.075 0.480) 5.160 7.365 ( -5.756 3.539 -2.892) 7.349 7.618 ( -9.218 4.957 3.174) 10.937 7.800 ( 2.719 -3.399 13.481) 14.166 7.851 ( 1.843 -0.075 1.617) 2.452 7.980 ( 4.362 -1.620 5.009) 6.837 8.107 ( 5.935 -1.134 -5.161) 7.946 8.274 ( 3.363 -2.678 -3.186) 5.350 8.359 ( -2.888 -5.703 8.964) 11.009 8.475 ( 3.825 3.298 -2.407) 5.595 8.743 ( -3.197 0.722 7.814) 8.474 8.820 ( -0.948 -4.279 -0.631) 4.428 8.934 ( -0.354 -0.465 -8.266) 8.287 9.157 ( -1.698 1.534 -0.321) 2.311 9.201 ( 0.673 -3.708 2.294) 4.411 9.393 ( 2.392 -11.273 10.025) 15.274 9.550 ( 7.925 7.965 -12.237) 16.613 9.920 ( 3.901 0.405 -1.109) 4.076 9.977 ( 7.279 -5.806 -5.829) 10.985 10.164 ( 2.116 -3.907 -0.742) 4.505 10.421 ( 5.181 9.751 0.349) 11.048 10.482 ( 5.536 1.942 -9.571) 11.227 10.611 ( 5.386 4.088 -13.107) 14.749 10.767 ( 5.215 1.301 -0.763) 5.428 10.933 ( -5.063 -5.765 -1.654) 7.849 11.096 ( 4.692 -2.142 1.356) 5.333 11.247 ( -5.373 3.293 8.073) 10.241 11.402 ( -2.252 -3.061 2.778) 4.708 11.606 ( 5.955 -6.999 10.536) 13.980 11.736 ( 1.024 4.583 -3.609) 5.922 11.888 ( 2.021 4.485 0.755) 4.977 12.054 ( -5.712 -4.324 0.923) 7.223 12.169 ( 4.889 4.893 -2.893) 7.497 12.242 ( 5.375 4.497 -3.925) 8.032 12.731 ( 2.142 -0.855 -6.842) 7.220 12.966 ( 0.677 4.175 -6.822) 8.027 13.100 ( 7.074 1.753 0.750) 7.326 13.327 ( 7.689 -0.784 -1.369) 7.849 13.496 ( -1.460 -6.893 0.067) 7.047 13.655 ( 1.855 2.552 1.958) 3.713 13.895 ( 0.789 -13.565 6.428) 15.032 14.274 ( 3.567 -3.168 3.263) 5.780 14.346 ( 2.767 4.756 3.387) 6.461 14.640 ( 1.922 3.647 -3.076) 5.144 14.901 ( 1.341 -3.340 -2.594) 4.436 14.956 ( 6.488 -6.283 -5.878) 10.776 15.523 ( -9.597 -0.122 6.733) 11.724 15.678 ( -7.944 0.888 4.380) 9.115 15.814 ( -1.109 -1.662 7.178) 7.451 15.869 ( -6.383 1.824 1.808) 6.880 16.209 ( -8.100 6.525 -6.754) 12.402 16.571 ( 1.010 -0.665 -5.859) 5.983 16.592 ( -1.386 -6.341 -2.874) 7.099 16.824 ( 2.680 -1.954 -3.566) 4.870 17.006 ( -6.120 -1.300 -2.498) 6.737 17.053 ( -6.879 -3.951 3.109) 8.521 17.203 ( -0.906 -3.552 4.716) 5.973 17.446 ( -5.375 -1.575 -0.266) 5.608 17.704 ( -3.990 1.931 2.067) 4.891 17.871 ( -2.367 4.366 -5.248) 7.225 18.067 ( -3.309 9.283 -0.386) 9.863 18.195 ( 6.804 0.398 -2.920) 7.414 18.482 ( -0.768 3.760 -3.425) 5.143 18.941 ( 6.074 -0.803 2.197) 6.509 19.209 ( -8.283 2.886 2.223) 9.049 19.463 ( -3.044 -3.624 3.881) 6.120 21.566 ( 7.382 4.091 0.068) 8.440 21.788 ( 10.833 1.412 0.819) 10.955 22.210 ( 2.148 -0.618 -0.234) 2.247 22.402 ( 7.857 -2.802 -1.184) 8.425 27.442 ( -4.786 1.941 2.210) 5.617 27.882 ( -3.709 -5.134 -3.635) 7.302 28.052 ( -6.191 -4.967 8.033) 11.293 28.771 ( -15.536 -35.213 -6.953) 39.111 29.864 ( -1.749 1.188 -0.467) 2.165 29.917 ( 0.031 0.447 0.098) 0.459 30.195 ( -6.356 -1.053 -0.640) 6.474 30.296 ( -3.828 -1.778 -0.131) 4.222 30.988 ( 2.777 7.970 -1.142) 8.517 31.064 ( 3.086 4.426 -1.810) 5.691 31.615 ( 2.250 2.376 0.936) 3.403 31.711 ( 2.206 2.668 -1.855) 3.927 32.133 ( -1.883 3.037 5.579) 6.625 32.324 ( -3.418 0.047 6.515) 7.357 32.543 ( -3.440 -0.213 -4.655) 5.792 32.562 ( -1.013 3.803 2.112) 4.466 32.798 ( -2.883 7.143 1.411) 7.831 33.328 ( 0.823 -2.524 6.740) 7.244 33.517 ( 5.586 7.711 -7.183) 11.927 33.714 ( 0.070 6.621 -8.408) 10.702 34.043 ( -5.221 4.031 3.632) 7.530 34.299 ( -1.429 -1.461 -2.055) 2.898 34.552 ( -3.441 -1.423 3.338) 5.001 34.897 ( 2.758 -2.576 -2.925) 4.774 35.629 ( -5.511 2.832 -2.053) 6.527 36.461 ( -0.461 -12.005 14.227) 18.621 36.821 ( 14.415 1.062 -2.467) 14.663 37.140 ( 6.752 -1.041 -7.545) 10.178 ======================= Grid point 62 (30/88) ======================= q-point: (-0.14 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -23.399 27.826 11.132) 38.023 1.490 ( -26.682 32.140 17.046) 45.116 2.175 ( -41.652 29.941 24.852) 57.000 2.617 ( -0.914 -0.722 0.792) 1.409 2.672 ( 4.728 -1.610 -1.086) 5.111 2.730 ( 0.828 1.717 -0.620) 2.005 2.839 ( -0.269 6.115 3.059) 6.843 3.141 ( 4.796 -2.401 -4.352) 6.907 3.327 ( -3.948 7.458 4.395) 9.515 3.541 ( -5.768 -0.294 3.131) 6.569 3.783 ( -16.881 0.329 0.765) 16.901 4.018 ( -0.214 -3.777 -5.278) 6.494 4.260 ( -8.548 5.013 2.232) 10.158 4.483 ( 5.647 -4.348 -0.694) 7.160 4.515 ( 5.413 0.033 0.515) 5.438 4.638 ( -2.183 -2.476 -14.801) 15.164 4.757 ( -0.740 -1.505 8.541) 8.704 4.974 ( -5.194 -14.124 -1.390) 15.113 4.994 ( -1.279 -1.594 1.434) 2.496 5.122 ( -0.324 -3.171 -4.707) 5.685 5.167 ( -6.347 -0.650 -2.776) 6.958 5.244 ( 2.586 -4.566 0.494) 5.271 5.538 ( -3.456 -7.788 7.463) 11.327 5.658 ( 5.323 7.499 -0.666) 9.220 5.712 ( -1.225 -1.101 -3.759) 4.103 5.890 ( -0.383 3.413 -1.390) 3.705 6.110 ( 1.933 8.773 0.871) 9.025 6.238 ( -1.376 4.296 6.375) 7.810 6.435 ( -2.423 9.337 -7.619) 12.292 6.565 ( -0.150 -8.016 -1.239) 8.112 6.642 ( -1.928 -0.663 0.495) 2.098 6.826 ( -0.676 2.836 3.109) 4.262 6.983 ( 3.282 -6.441 0.164) 7.231 7.085 ( 1.060 2.975 2.218) 3.859 7.167 ( -1.936 0.499 6.151) 6.467 7.243 ( 5.094 2.412 -9.354) 10.920 7.511 ( -8.628 2.935 5.502) 10.646 7.714 ( -8.886 -3.793 -5.838) 11.289 7.913 ( -0.409 4.005 -1.330) 4.240 8.047 ( -1.201 -5.761 7.581) 9.597 8.098 ( 2.602 -4.922 -13.360) 14.474 8.349 ( -0.127 -5.159 3.955) 6.502 8.364 ( -1.224 -2.240 3.949) 4.702 8.542 ( 4.419 2.074 -0.915) 4.967 8.673 ( -8.496 3.011 5.951) 10.801 8.838 ( 0.391 4.692 -3.068) 5.619 8.887 ( 2.023 -6.785 3.263) 7.796 9.146 ( -0.158 1.101 3.972) 4.124 9.306 ( 5.215 -4.059 2.452) 7.048 9.460 ( -0.849 -6.632 5.338) 8.556 9.632 ( 7.524 3.769 -8.456) 11.930 9.960 ( -0.090 -7.470 -1.995) 7.732 10.078 ( 6.554 -4.091 -3.236) 8.376 10.165 ( 0.469 2.521 -6.221) 6.729 10.507 ( 2.931 0.723 -8.928) 9.424 10.605 ( 5.738 5.078 -6.104) 9.796 10.607 ( 8.083 1.184 0.891) 8.217 10.802 ( 2.523 -0.278 -9.523) 9.855 10.857 ( -0.652 -2.559 1.950) 3.283 11.150 ( -0.184 0.687 2.269) 2.377 11.221 ( -3.165 5.583 6.078) 8.839 11.413 ( -2.180 4.139 3.036) 5.577 11.739 ( 3.602 -1.048 2.164) 4.330 11.806 ( 1.902 -7.188 2.369) 7.803 11.996 ( 5.676 5.716 2.086) 8.321 12.054 ( -0.415 -13.004 34.952) 37.295 12.241 ( 1.398 4.854 2.087) 5.465 12.486 ( 18.506 5.709 2.709) 19.555 12.740 ( 4.777 1.989 -2.455) 5.728 12.955 ( 2.413 7.109 -0.338) 7.514 13.251 ( 3.677 -4.299 -0.872) 5.724 13.453 ( 3.681 -9.855 -3.605) 11.120 13.554 ( 9.533 2.844 -1.606) 10.077 13.727 ( 7.423 -2.781 -0.245) 7.931 13.937 ( 8.463 -1.847 3.151) 9.218 14.304 ( 2.170 -1.009 -10.342) 10.615 14.469 ( 6.202 4.044 3.791) 8.318 14.658 ( 1.502 5.829 -2.954) 6.706 14.897 ( -1.265 -0.676 -0.831) 1.658 15.007 ( 4.106 -4.520 -7.782) 9.892 15.372 ( -9.133 4.339 3.367) 10.657 15.508 ( -7.636 -0.564 0.861) 7.705 15.647 ( -10.422 -1.404 0.258) 10.520 15.876 ( -18.029 0.559 -12.543) 21.970 16.113 ( 12.073 -1.786 8.004) 14.595 16.456 ( -7.231 -10.204 0.707) 12.526 16.565 ( -3.121 -4.296 -4.845) 7.188 16.728 ( -11.396 1.783 -2.698) 11.846 16.851 ( 1.666 -2.970 -6.488) 7.328 16.971 ( -6.575 -3.222 2.912) 7.880 17.214 ( -3.634 -3.094 5.124) 7.002 17.304 ( -6.335 -2.581 -0.707) 6.877 17.610 ( -3.715 9.784 3.501) 11.035 17.903 ( 5.984 5.484 0.766) 8.153 18.002 ( -1.205 6.841 2.255) 7.303 18.394 ( 11.381 -3.350 0.713) 11.885 18.485 ( 2.221 1.109 -3.563) 4.343 18.890 ( -10.351 -2.569 -3.085) 11.102 19.074 ( -13.765 -4.507 -1.048) 14.522 19.299 ( -9.642 -1.472 -0.512) 9.767 21.768 ( 12.570 9.972 -1.850) 16.152 22.003 ( 8.672 2.920 -0.555) 9.167 22.239 ( 1.844 0.130 -0.424) 1.897 22.546 ( 6.934 -3.822 -1.681) 8.094 27.364 ( -3.922 2.483 0.916) 4.732 27.770 ( -4.110 -5.739 -2.757) 7.579 27.884 ( -23.007 -16.068 -4.239) 28.381 28.130 ( -30.302 -20.557 -9.875) 37.925 29.836 ( -0.926 1.944 0.302) 2.174 29.931 ( 1.181 0.607 1.061) 1.700 30.046 ( -6.282 0.436 -1.661) 6.513 30.224 ( -3.523 -1.051 -0.101) 3.678 31.022 ( 1.925 3.656 -2.026) 4.602 31.087 ( 2.821 8.200 -9.789) 13.077 31.657 ( 1.152 3.237 0.388) 3.458 31.736 ( 1.981 1.668 -2.434) 3.554 32.143 ( -1.673 3.371 5.973) 7.060 32.284 ( -4.004 0.790 2.868) 4.988 32.494 ( -1.020 -0.571 -0.091) 1.172 32.509 ( -2.118 -0.831 -3.696) 4.340 32.767 ( -2.425 6.510 2.054) 7.244 33.383 ( -1.411 -5.429 5.999) 8.213 33.576 ( 4.313 5.713 -5.208) 8.852 33.901 ( 17.630 7.566 15.419) 24.613 33.955 ( -5.181 2.184 0.822) 5.682 34.245 ( -1.148 -0.870 -3.423) 3.714 34.514 ( -2.778 -1.827 2.610) 4.227 34.872 ( -0.648 -5.718 -9.466) 11.078 35.596 ( 3.074 11.522 5.325) 13.060 36.561 ( -3.577 -17.359 18.524) 25.637 37.051 ( 8.730 0.221 -3.790) 9.520 37.310 ( 16.522 2.088 -4.919) 17.364 ======================= Grid point 63 (31/88) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 6.377 27.666 2.807) 28.530 2.093 ( -4.289 37.533 9.359) 38.920 2.496 ( 1.707 -5.650 0.718) 5.946 2.637 ( 1.766 -1.094 3.247) 3.855 2.660 ( 2.519 6.756 9.547) 11.964 2.834 ( 0.511 9.701 6.831) 11.876 3.128 ( -0.320 11.908 7.178) 13.908 3.276 ( 4.485 6.255 2.315) 8.037 3.341 ( 6.682 -0.147 6.725) 9.482 3.558 ( 0.519 6.117 5.733) 8.399 3.679 ( 3.456 -6.216 10.032) 12.297 3.897 ( -2.357 -3.750 2.722) 5.199 4.145 ( -2.423 -8.999 3.338) 9.899 4.218 ( -0.865 -9.776 -4.279) 10.706 4.381 ( 5.520 -8.475 -12.321) 15.941 4.458 ( 1.529 -6.472 0.354) 6.660 4.652 ( -3.796 -5.411 -3.274) 7.376 4.807 ( 0.643 -0.692 4.636) 4.732 4.868 ( -3.612 0.506 -1.500) 3.944 5.003 ( -3.073 -5.310 -1.056) 6.226 5.237 ( 5.026 -0.111 5.388) 7.369 5.290 ( -2.441 -6.543 -4.801) 8.475 5.390 ( 0.257 10.204 8.879) 13.528 5.673 ( 1.058 -2.336 -4.543) 5.217 5.894 ( 2.947 1.566 -1.146) 3.529 5.920 ( -2.810 -2.088 -5.982) 6.931 6.176 ( 2.070 3.014 0.241) 3.664 6.243 ( -3.540 -0.453 -4.731) 5.926 6.401 ( -7.248 2.147 -6.441) 9.931 6.521 ( -7.585 6.493 -14.827) 17.875 6.711 ( -0.119 7.008 2.139) 7.328 6.860 ( -1.841 -0.317 -4.171) 4.570 6.907 ( -5.247 -1.363 6.569) 8.517 7.042 ( -2.092 -7.103 1.920) 7.650 7.203 ( -6.463 -0.416 2.230) 6.849 7.244 ( -4.538 4.099 -1.668) 6.339 7.483 ( 10.542 2.660 7.265) 13.077 7.539 ( 2.772 -0.477 -10.455) 10.826 7.826 ( -1.982 -1.749 -11.163) 11.472 8.055 ( -2.103 -0.330 8.709) 8.966 8.124 ( 5.732 3.560 -5.272) 8.563 8.256 ( -2.176 -3.484 0.213) 4.113 8.349 ( 1.158 1.701 2.463) 3.210 8.560 ( 1.573 -4.389 1.218) 4.819 8.633 ( -5.661 3.015 5.161) 8.232 8.861 ( 1.778 -5.784 5.491) 8.171 8.967 ( 1.300 7.125 4.393) 8.471 9.185 ( 0.811 -0.053 1.919) 2.084 9.251 ( -2.230 -2.587 3.878) 5.168 9.380 ( -3.378 -3.708 11.491) 12.538 9.600 ( -2.123 -13.494 -1.994) 13.805 9.824 ( 6.332 -2.717 1.576) 7.068 9.976 ( -2.412 -5.310 2.999) 6.558 10.149 ( 0.702 -3.190 1.417) 3.561 10.563 ( 3.777 8.522 -10.810) 14.274 10.689 ( 3.530 8.463 -13.567) 16.376 10.814 ( 6.048 1.751 -10.046) 11.856 10.854 ( 3.039 4.782 -8.171) 9.943 10.999 ( 0.720 5.356 7.611) 9.335 11.249 ( 2.799 1.154 3.128) 4.353 11.360 ( -4.190 3.335 2.988) 6.133 11.394 ( -6.003 2.134 -4.155) 7.606 11.643 ( 3.345 -6.787 -0.996) 7.631 11.878 ( 5.370 0.529 12.378) 13.503 11.931 ( -3.896 -10.395 19.054) 22.052 12.212 ( -1.126 5.285 5.049) 7.396 12.366 ( 0.977 0.197 4.585) 4.692 12.784 ( 4.180 -17.261 3.243) 18.053 12.886 ( -3.928 -4.463 2.407) 6.414 12.897 ( 4.257 -0.147 4.926) 6.513 13.124 ( 2.589 4.120 -1.021) 4.972 13.323 ( -0.016 -7.082 -0.531) 7.102 13.480 ( -3.755 0.746 -7.098) 8.065 13.586 ( -3.279 -1.818 -1.659) 4.100 14.135 ( 2.685 -0.099 -22.626) 22.785 14.389 ( 0.944 -9.357 -23.082) 24.925 14.640 ( -10.275 2.118 1.615) 10.615 14.666 ( -0.549 0.947 -0.432) 1.177 14.975 ( 6.842 4.555 -0.699) 8.249 15.003 ( 6.317 4.309 -2.036) 7.913 15.255 ( -7.942 -1.395 1.960) 8.298 15.304 ( -3.349 -5.945 2.023) 7.117 15.542 ( -1.822 4.353 -3.099) 5.646 15.573 ( -1.149 5.401 -10.738) 12.075 16.029 ( -5.778 -2.571 2.135) 6.675 16.254 ( 5.704 -9.393 0.086) 10.989 16.515 ( 4.906 4.196 -9.487) 11.475 16.665 ( 3.340 -3.524 -3.504) 5.988 16.798 ( -0.401 5.614 5.538) 7.897 16.995 ( 2.700 -0.171 7.058) 7.559 17.117 ( -1.111 -0.784 8.542) 8.650 17.254 ( 4.193 -3.575 3.586) 6.575 17.841 ( -1.478 8.839 3.059) 9.469 18.092 ( -0.731 2.888 3.379) 4.504 18.186 ( -2.851 4.390 1.824) 5.544 18.322 ( 4.736 -4.523 0.388) 6.560 18.386 ( -7.333 -5.971 -3.320) 10.023 18.534 ( 8.291 -5.963 3.786) 10.892 19.060 ( -5.751 13.115 -0.562) 14.331 19.325 ( -1.563 1.685 -2.719) 3.560 22.073 ( 1.070 5.369 -1.016) 5.568 22.160 ( -1.417 5.968 -2.519) 6.631 22.275 ( -0.336 -0.711 1.206) 1.440 22.495 ( 0.650 -6.485 -1.371) 6.660 27.366 ( 1.199 5.076 0.440) 5.234 27.409 ( -1.375 5.420 -0.245) 5.597 27.646 ( 3.814 -6.881 0.566) 7.888 27.723 ( -4.342 -7.947 -0.628) 9.078 29.890 ( 0.278 2.768 0.426) 2.815 29.960 ( -2.233 0.174 -1.006) 2.456 30.026 ( 3.048 1.920 2.078) 4.159 30.138 ( -0.610 -2.330 -0.286) 2.425 31.091 ( 0.426 2.667 -1.252) 2.977 31.141 ( 0.254 1.428 -4.021) 4.274 31.732 ( -0.686 2.965 -2.084) 3.689 31.766 ( 0.324 0.633 -1.257) 1.444 32.245 ( -1.747 3.585 3.860) 5.550 32.262 ( -3.372 1.769 3.705) 5.313 32.447 ( 0.949 1.698 -0.391) 1.984 32.529 ( 2.486 -1.606 4.942) 5.760 32.911 ( -0.079 6.820 5.693) 8.884 33.255 ( -1.085 -7.277 5.292) 9.063 33.768 ( 2.006 7.568 -3.216) 8.464 33.917 ( -3.296 3.094 -1.861) 4.888 34.094 ( 0.511 -2.020 -0.648) 2.182 34.203 ( 2.695 -4.739 1.642) 5.694 34.441 ( -1.112 -0.127 -1.168) 1.618 34.653 ( 2.148 -8.397 -7.443) 11.425 35.939 ( 1.823 5.677 7.014) 9.206 36.266 ( -6.676 -9.643 10.944) 16.042 37.145 ( 1.456 2.821 -5.466) 6.321 37.378 ( 2.772 -6.760 -7.330) 10.350 ======================= Grid point 64 (32/88) ======================= q-point: ( 0.14 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 6.022 16.541 3.203) 17.892 2.396 ( 21.874 23.732 12.924) 34.766 2.496 ( -0.623 -5.298 -4.172) 6.772 2.679 ( 0.994 0.408 2.425) 2.653 2.799 ( 4.424 3.536 3.125) 6.469 2.953 ( 4.847 14.805 10.079) 18.555 3.245 ( 5.332 2.591 3.040) 6.662 3.335 ( -3.317 1.833 11.397) 12.011 3.634 ( 5.800 -0.898 2.212) 6.272 3.701 ( 13.388 17.014 13.877) 25.715 3.881 ( 2.985 -5.749 -5.827) 8.713 3.967 ( 10.183 -2.090 4.244) 11.228 4.202 ( 2.867 6.636 12.893) 14.781 4.258 ( 8.115 -11.098 0.211) 13.749 4.387 ( 5.828 -3.759 -2.357) 7.325 4.474 ( 7.363 -3.376 -14.794) 16.866 4.755 ( 8.833 -3.601 5.300) 10.912 4.854 ( 5.319 0.424 -2.456) 5.874 4.915 ( 6.729 -0.907 10.073) 12.148 4.969 ( 2.743 -6.573 -0.878) 7.176 5.176 ( -5.201 -7.900 -1.449) 9.568 5.371 ( 3.912 1.889 1.997) 4.782 5.443 ( 0.068 4.098 -2.883) 5.012 5.668 ( -1.846 -4.448 6.414) 8.020 5.767 ( -2.391 1.532 -11.412) 11.760 5.920 ( -0.348 2.113 2.850) 3.565 6.062 ( -6.660 2.484 -11.695) 13.686 6.154 ( -4.830 4.160 -1.387) 6.524 6.277 ( -2.176 -2.447 -7.816) 8.474 6.316 ( 3.751 -5.701 -12.704) 14.421 6.549 ( -21.501 -2.087 2.890) 21.795 6.660 ( -11.274 0.488 -3.901) 11.940 6.833 ( 5.800 4.686 -6.669) 10.003 6.990 ( -4.450 -6.257 7.017) 10.402 7.253 ( 2.868 0.678 6.072) 6.750 7.310 ( 6.569 -0.418 -2.799) 7.153 7.516 ( 0.839 2.884 -5.003) 5.835 7.713 ( 5.802 -1.885 -6.164) 8.672 7.718 ( -1.003 3.788 2.009) 4.404 8.060 ( -3.040 -3.456 5.506) 7.177 8.105 ( -2.951 3.276 1.903) 4.802 8.187 ( -4.911 1.000 -3.891) 6.345 8.411 ( 4.443 3.140 -0.001) 5.440 8.541 ( -2.753 4.459 1.652) 5.494 8.618 ( 0.116 -2.486 0.412) 2.522 8.909 ( -1.826 -6.307 7.510) 9.976 9.087 ( 4.159 4.149 6.789) 8.978 9.196 ( -4.319 0.254 1.185) 4.485 9.226 ( 1.643 1.346 -0.563) 2.197 9.394 ( -4.978 -5.622 14.060) 15.940 9.572 ( 0.573 -10.701 -1.569) 10.830 9.893 ( 1.254 7.967 -4.569) 9.269 9.959 ( -2.616 -13.617 5.232) 14.820 10.143 ( -3.041 -1.367 3.905) 5.135 10.557 ( 2.249 5.960 -6.349) 8.994 10.664 ( 2.634 5.511 -10.822) 12.427 10.789 ( 0.258 2.289 -11.764) 11.988 10.872 ( -0.378 1.344 -3.421) 3.695 10.960 ( -2.367 8.891 0.576) 9.218 11.140 ( -9.425 -1.140 -1.416) 9.599 11.308 ( -1.770 2.032 5.706) 6.311 11.463 ( 2.601 0.792 11.851) 12.159 11.674 ( -0.304 -1.549 -4.517) 4.785 11.927 ( -3.270 -5.300 2.787) 6.823 12.073 ( 2.222 -5.175 10.881) 12.252 12.174 ( -6.992 5.808 10.020) 13.529 12.376 ( -4.207 -0.938 5.559) 7.034 12.789 ( -9.110 -2.793 9.625) 13.544 12.865 ( 0.514 -11.923 2.642) 12.222 12.987 ( 1.069 -8.491 1.638) 8.713 13.140 ( 0.586 2.349 -4.314) 4.946 13.306 ( -2.883 -1.518 -10.634) 11.122 13.318 ( -2.340 -0.191 3.068) 3.863 13.458 ( -5.282 -3.917 -5.847) 8.800 13.875 ( -6.629 -1.230 -24.502) 25.413 13.903 ( -17.318 1.129 -10.617) 20.344 14.559 ( -4.218 2.211 2.899) 5.575 14.687 ( 2.947 -3.133 -5.551) 7.022 14.978 ( -10.765 3.376 1.433) 11.372 15.086 ( -7.183 -2.505 0.630) 7.633 15.196 ( 12.678 1.612 -2.889) 13.102 15.348 ( 9.768 -2.489 -1.390) 10.176 15.580 ( 2.213 -1.672 0.472) 2.813 15.650 ( 11.353 0.356 0.302) 11.362 16.122 ( 9.812 1.672 1.741) 10.105 16.322 ( 5.306 -7.799 -5.180) 10.762 16.559 ( 4.713 0.840 -9.178) 10.351 16.676 ( 6.356 -4.759 -8.064) 11.317 16.985 ( 7.496 4.714 10.175) 13.489 17.095 ( 0.896 0.098 3.648) 3.758 17.164 ( -0.763 4.969 5.297) 7.302 17.409 ( 5.933 -4.403 3.843) 8.328 17.825 ( -2.339 5.702 2.203) 6.545 18.096 ( -2.376 -1.241 0.594) 2.746 18.191 ( 4.549 3.452 6.205) 8.433 18.305 ( 3.596 -0.878 0.292) 3.713 18.519 ( 8.516 -2.158 -0.831) 8.825 18.692 ( 4.783 -4.901 -0.565) 6.872 18.940 ( -4.024 13.219 -2.762) 14.091 19.275 ( 0.659 -0.551 -3.013) 3.133 21.981 ( -9.728 5.483 -0.081) 11.167 22.011 ( -10.520 5.939 -0.107) 12.081 22.240 ( -2.855 0.437 0.022) 2.889 22.434 ( -5.101 -5.768 -1.698) 7.885 27.408 ( 2.301 3.297 -0.673) 4.076 27.523 ( 7.214 -0.789 -0.968) 7.322 27.712 ( 8.197 -3.551 -3.853) 9.729 27.878 ( 16.344 -8.871 2.316) 18.740 29.896 ( -0.250 1.565 0.377) 1.629 29.931 ( 0.008 0.508 -0.106) 0.519 30.120 ( 3.684 0.926 0.790) 3.880 30.171 ( 4.893 -0.985 0.401) 5.007 31.088 ( 0.299 2.943 -1.538) 3.334 31.113 ( -0.023 3.798 -2.942) 4.805 31.684 ( -2.170 3.090 -1.948) 4.249 31.755 ( -0.646 -0.174 -0.881) 1.106 32.222 ( -1.736 2.894 1.389) 3.649 32.260 ( -1.611 2.201 6.399) 6.956 32.487 ( 3.627 5.850 -1.735) 7.098 32.631 ( 4.135 -1.275 3.547) 5.595 32.999 ( 2.356 4.693 9.235) 10.624 33.286 ( -0.858 -6.140 6.352) 8.876 33.712 ( -4.056 4.635 -4.735) 7.769 33.870 ( -0.255 1.769 -3.037) 3.524 34.092 ( 2.554 0.756 -2.965) 3.986 34.290 ( 2.882 -4.391 2.889) 5.994 34.416 ( 0.602 1.464 -2.490) 2.950 34.679 ( 5.384 -8.787 -5.789) 11.820 35.992 ( -3.289 -0.461 9.821) 10.367 36.183 ( -8.682 -7.019 8.106) 13.797 37.034 ( -7.342 4.124 -6.731) 10.781 37.283 ( -5.398 -5.892 -5.065) 9.460 ======================= Grid point 65 (33/88) ======================= q-point: ( 0.29 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 3.192 3.293 3.626) 5.846 2.434 ( -1.775 -4.324 -3.240) 5.687 2.695 ( -0.658 0.870 1.187) 1.612 2.707 ( 1.058 1.178 1.917) 2.486 3.077 ( 15.497 10.330 7.483) 20.072 3.159 ( 3.706 15.712 10.533) 19.276 3.203 ( -0.794 6.697 -5.010) 8.401 3.448 ( 3.296 -6.075 8.659) 11.079 3.717 ( -0.269 3.794 -0.919) 3.913 3.806 ( 6.480 8.716 -1.007) 10.908 3.949 ( -0.362 10.476 -1.984) 10.669 4.122 ( 8.120 -1.749 -2.449) 8.660 4.306 ( 3.626 0.152 -1.792) 4.047 4.499 ( 11.245 -4.878 -2.813) 12.576 4.658 ( 11.869 -10.408 3.691) 16.212 4.692 ( 13.259 4.431 7.092) 15.676 4.807 ( -3.057 2.118 -1.577) 4.040 5.016 ( -2.878 1.954 -0.662) 3.541 5.026 ( 11.102 -0.960 1.756) 11.281 5.125 ( 12.784 -1.016 3.918) 13.410 5.238 ( -5.408 0.012 -11.148) 12.390 5.364 ( 12.351 -1.795 0.352) 12.486 5.536 ( 6.932 6.659 5.927) 11.293 5.609 ( 4.590 1.750 -1.713) 5.202 5.771 ( 0.642 -2.228 -1.685) 2.866 5.912 ( 0.491 -5.869 -1.547) 6.089 5.989 ( -5.660 3.786 -0.928) 6.872 6.080 ( -2.537 -3.636 -3.475) 5.633 6.171 ( 2.139 0.038 -3.772) 4.336 6.191 ( 0.843 -0.603 6.701) 6.781 6.411 ( 2.322 -9.326 -0.876) 9.650 6.452 ( -6.536 -2.689 2.053) 7.359 6.887 ( 2.586 1.911 -3.514) 4.763 7.016 ( 1.689 -4.765 6.325) 8.097 7.263 ( -7.225 4.679 7.153) 11.191 7.342 ( -1.412 -2.383 -5.495) 6.154 7.439 ( -4.155 -2.452 -5.119) 7.034 7.621 ( -5.698 -4.613 0.824) 7.377 7.789 ( 1.920 7.476 0.244) 7.723 8.027 ( -4.871 1.623 -4.789) 7.021 8.099 ( -1.862 3.561 4.914) 6.348 8.116 ( 3.280 -0.573 5.591) 6.507 8.441 ( -3.415 1.170 2.312) 4.286 8.571 ( 4.745 3.073 -1.681) 5.898 8.595 ( -1.016 -1.848 -0.603) 2.194 8.901 ( -6.330 -4.866 9.696) 12.560 9.061 ( -6.749 -0.011 -0.477) 6.766 9.159 ( -3.121 0.477 2.355) 3.939 9.270 ( 3.138 -0.429 -2.291) 3.909 9.417 ( -2.061 -5.936 11.025) 12.690 9.581 ( 0.793 -2.423 -2.129) 3.321 9.844 ( -1.150 5.608 -5.431) 7.891 9.918 ( -3.827 -8.351 -0.358) 9.193 10.095 ( -5.049 -2.711 4.036) 7.010 10.487 ( -7.262 1.896 -8.769) 11.543 10.538 ( -4.799 -2.474 -1.296) 5.553 10.715 ( 2.803 10.877 -9.212) 14.526 10.852 ( 0.981 -0.983 2.979) 3.287 10.987 ( -3.984 -3.610 1.781) 5.664 11.042 ( 7.102 10.365 -4.208) 13.251 11.335 ( -0.724 0.686 5.955) 6.038 11.484 ( -7.367 6.744 -4.059) 10.781 11.575 ( -1.632 3.477 -2.780) 4.742 11.887 ( 1.272 -7.139 -8.267) 10.997 12.121 ( -6.092 -1.520 9.972) 11.784 12.168 ( 0.329 2.904 8.483) 8.972 12.295 ( -7.253 -2.331 2.114) 7.907 12.641 ( -13.054 -2.457 9.279) 16.204 12.808 ( -5.229 1.175 -1.882) 5.680 12.958 ( -1.249 -10.457 -9.924) 14.471 13.084 ( -0.696 -1.047 -3.791) 3.994 13.262 ( 1.727 -2.910 -1.595) 3.741 13.363 ( 5.030 -5.650 9.155) 11.876 13.405 ( 0.644 -7.250 -0.548) 7.299 13.578 ( -5.159 -0.709 -14.611) 15.511 13.639 ( -7.083 -1.893 -2.795) 7.846 14.490 ( -4.180 3.737 1.536) 5.814 14.680 ( 1.307 -5.327 -6.653) 8.623 14.790 ( -5.402 1.920 -0.591) 5.763 14.955 ( -6.231 -3.280 -0.595) 7.067 15.397 ( 6.685 0.765 1.528) 6.900 15.491 ( 2.658 -2.024 1.013) 3.491 15.729 ( 10.318 5.172 6.806) 13.399 15.957 ( 17.101 1.963 1.567) 17.285 16.300 ( 7.381 0.506 -1.600) 7.570 16.415 ( 7.464 -6.802 -3.605) 10.723 16.556 ( 2.484 0.777 -6.325) 6.839 16.787 ( 7.439 -10.410 -4.248) 13.481 17.026 ( -5.282 3.268 -1.702) 6.441 17.127 ( -0.937 0.364 5.157) 5.254 17.212 ( 1.245 5.596 1.867) 6.030 17.485 ( 0.151 -3.905 2.134) 4.452 17.801 ( -1.912 3.864 1.725) 4.643 18.031 ( -4.348 -2.058 0.810) 4.878 18.342 ( 4.597 7.585 4.381) 9.893 18.490 ( 8.093 1.353 3.985) 9.122 18.568 ( -1.111 1.282 -6.004) 6.239 18.701 ( 0.954 -5.783 -4.890) 7.633 18.929 ( 5.644 13.808 -0.162) 14.918 19.371 ( 9.784 -3.337 0.010) 10.338 21.745 ( -12.846 4.578 2.339) 13.836 21.787 ( -12.053 2.151 0.199) 12.245 22.183 ( -2.369 1.055 -0.531) 2.647 22.306 ( -5.201 -3.510 -2.115) 6.622 27.476 ( 3.552 1.675 1.663) 4.264 27.593 ( 3.656 -4.199 -1.834) 5.861 27.916 ( 11.898 0.905 -3.631) 12.472 28.226 ( 15.375 -13.028 0.130) 20.153 29.900 ( 0.603 0.565 0.318) 0.885 29.936 ( 0.130 -0.481 -0.048) 0.501 30.187 ( 3.327 2.313 -0.301) 4.063 30.299 ( 5.820 -1.882 1.140) 6.222 31.082 ( 0.481 4.511 -1.499) 4.778 31.098 ( 0.115 4.590 -1.365) 4.790 31.627 ( -1.899 3.216 -1.392) 3.986 31.730 ( -1.006 -0.668 -0.816) 1.458 32.210 ( -0.995 3.881 2.369) 4.655 32.286 ( -1.118 1.385 6.674) 6.907 32.558 ( 4.547 8.040 -0.965) 9.287 32.736 ( 4.085 -0.942 1.466) 4.442 33.104 ( 1.142 2.566 4.676) 5.455 33.292 ( -2.463 -3.162 2.234) 4.589 33.592 ( -3.998 3.380 -2.338) 5.734 33.831 ( -1.514 -4.969 -0.809) 5.257 34.150 ( 4.909 5.843 -3.150) 8.256 34.347 ( 2.243 0.938 -1.364) 2.788 34.453 ( 3.837 0.085 0.973) 3.960 34.747 ( 4.717 -6.700 -3.937) 9.091 35.960 ( -8.468 -3.781 11.268) 14.593 36.089 ( -5.153 -6.985 5.165) 10.100 36.808 ( -8.245 5.809 -7.204) 12.395 37.129 ( -6.007 -7.486 -4.246) 10.495 ======================= Grid point 66 (34/88) ======================= q-point: ( 0.43 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -0.084 -0.840 1.893) 2.073 2.394 ( -0.378 -4.460 -0.260) 4.484 2.678 ( -1.381 0.584 -1.572) 2.172 2.686 ( -1.225 0.335 -1.478) 1.948 2.993 ( -5.264 8.899 -6.180) 12.045 3.243 ( -4.885 2.904 -0.004) 5.683 3.335 ( 2.904 7.085 -3.213) 8.304 3.560 ( 4.873 -9.824 2.264) 11.197 3.717 ( -3.081 16.466 5.578) 17.656 3.938 ( -0.558 14.999 2.748) 15.258 4.022 ( 9.899 8.396 -1.266) 13.042 4.268 ( 5.062 2.312 6.314) 8.417 4.374 ( 8.141 2.808 -5.237) 10.080 4.534 ( 0.641 0.670 -3.348) 3.474 4.703 ( -6.091 -2.194 1.385) 6.621 4.822 ( 3.458 -3.534 -2.849) 5.706 4.848 ( 2.924 -11.808 -8.062) 14.594 4.977 ( -0.705 -1.038 0.093) 1.258 5.104 ( 0.300 -0.541 -4.700) 4.740 5.130 ( -0.923 7.036 6.195) 9.420 5.355 ( -0.561 4.439 -1.654) 4.770 5.476 ( -2.199 -0.679 -4.463) 5.021 5.560 ( 5.035 0.251 -6.873) 8.524 5.751 ( 10.682 -0.689 -0.982) 10.750 5.808 ( -5.330 1.499 0.221) 5.541 5.933 ( 5.135 -4.036 5.843) 8.763 6.062 ( 5.052 -0.395 -2.271) 5.553 6.111 ( 4.401 5.827 0.909) 7.359 6.214 ( 0.617 -2.107 -4.967) 5.431 6.307 ( 10.990 -4.251 4.471) 12.603 6.412 ( -1.159 -5.168 9.543) 10.914 6.626 ( 5.120 -8.682 16.132) 19.022 6.912 ( 1.790 0.668 -0.547) 1.987 7.074 ( -0.372 -7.948 2.069) 8.221 7.130 ( -12.795 5.712 9.089) 16.702 7.264 ( 2.243 -1.440 2.374) 3.569 7.395 ( 2.510 0.656 3.165) 4.093 7.524 ( -6.603 -4.778 8.992) 12.137 7.816 ( 1.424 5.872 -1.303) 6.181 7.933 ( -1.086 2.088 -1.830) 2.981 8.105 ( -1.460 2.816 3.210) 4.513 8.199 ( 0.928 -0.007 3.004) 3.144 8.377 ( -4.210 2.050 1.413) 4.891 8.501 ( -2.308 -1.528 -4.786) 5.529 8.681 ( 1.154 -1.404 3.549) 3.987 8.832 ( -5.226 -0.297 5.186) 7.369 8.931 ( -6.692 -5.509 2.114) 8.922 9.102 ( -0.334 4.674 -1.966) 5.081 9.280 ( -0.110 -6.116 -4.931) 7.857 9.465 ( -1.478 -5.297 6.554) 8.556 9.530 ( -1.931 2.911 -7.732) 8.484 9.800 ( 2.425 3.921 -5.273) 7.004 9.815 ( -3.856 -7.524 -4.257) 9.466 10.028 ( -3.932 -6.194 4.112) 8.410 10.338 ( 0.786 1.461 -4.994) 5.263 10.497 ( -1.837 -2.861 5.719) 6.654 10.692 ( 1.296 8.785 -7.222) 11.446 10.908 ( -1.763 -2.634 6.637) 7.356 10.938 ( 0.316 -0.954 -1.354) 1.686 11.162 ( 7.359 10.933 -12.109) 17.897 11.290 ( -1.823 15.072 -8.740) 17.518 11.359 ( -0.749 -5.606 -1.647) 5.891 11.512 ( -0.559 1.858 -5.293) 5.637 11.831 ( -0.830 -1.964 -4.403) 4.892 12.075 ( -7.893 -1.429 1.450) 8.151 12.129 ( -5.086 -3.693 2.590) 6.798 12.231 ( 0.727 2.618 1.633) 3.170 12.440 ( -11.055 -0.156 2.874) 11.424 12.729 ( -1.574 -1.087 -2.883) 3.460 12.861 ( 1.587 -3.926 -6.487) 7.747 13.086 ( 2.621 -3.653 -3.876) 5.937 13.275 ( -1.296 -3.437 -8.333) 9.107 13.395 ( 2.421 -2.957 3.940) 5.489 13.453 ( -1.699 -1.198 4.091) 4.589 13.553 ( -0.973 -2.803 4.221) 5.159 13.652 ( 8.753 -10.967 13.999) 19.821 14.441 ( -1.622 5.631 0.965) 5.939 14.658 ( 1.322 -3.007 -3.798) 5.022 14.741 ( -0.041 -3.470 -3.179) 4.706 14.843 ( -2.876 -2.778 -2.574) 4.756 15.462 ( 0.197 -0.610 2.794) 2.866 15.560 ( 1.168 -2.369 4.754) 5.438 15.931 ( 2.548 6.904 7.171) 10.275 16.294 ( 13.125 6.237 -0.065) 14.532 16.353 ( -0.747 -3.649 -1.169) 3.904 16.528 ( 5.312 -5.050 -2.614) 7.782 16.593 ( 5.885 2.800 -4.883) 8.144 16.822 ( 0.418 -10.099 -6.296) 11.908 16.917 ( -4.855 4.591 -0.010) 6.682 17.112 ( -2.527 -3.854 6.244) 7.760 17.231 ( 0.535 5.574 -0.328) 5.609 17.488 ( -0.536 -4.588 0.378) 4.635 17.780 ( -1.051 1.526 0.860) 2.043 17.918 ( -4.926 -1.464 -3.252) 6.082 18.351 ( -4.575 6.102 -7.320) 10.571 18.463 ( -3.697 -0.170 -8.441) 9.217 18.591 ( 5.064 5.484 5.747) 9.421 18.760 ( 2.422 -3.319 4.202) 5.877 19.131 ( 10.181 14.889 4.945) 18.702 19.563 ( 6.185 -1.987 1.178) 6.603 21.554 ( -7.593 1.546 1.975) 7.997 21.590 ( -5.784 -0.340 -0.469) 5.813 22.151 ( -0.441 0.868 -0.114) 0.980 22.226 ( -1.126 -1.901 -1.500) 2.671 27.541 ( 0.800 1.648 2.640) 3.213 27.673 ( 3.851 -5.082 2.447) 6.829 28.067 ( 5.564 1.816 -3.006) 6.579 28.441 ( 6.261 -15.879 -0.978) 17.097 29.917 ( 0.461 0.246 -0.039) 0.524 29.934 ( -0.094 -0.709 0.121) 0.725 30.240 ( 1.746 2.591 0.283) 3.137 30.380 ( 1.381 -2.905 -0.281) 3.229 31.086 ( 0.812 5.168 -0.774) 5.289 31.094 ( 0.396 4.504 -0.765) 4.585 31.600 ( 0.046 3.371 -0.395) 3.394 31.710 ( -0.188 -0.588 -0.854) 1.054 32.216 ( -0.983 4.754 3.649) 6.072 32.316 ( -1.450 0.856 7.046) 7.245 32.642 ( 3.334 8.003 1.443) 8.789 32.786 ( 0.154 -0.186 -2.237) 2.250 33.082 ( -2.722 2.283 -4.159) 5.470 33.236 ( -2.357 -2.442 -1.852) 3.867 33.548 ( -0.261 3.488 1.620) 3.855 33.814 ( -0.833 -6.816 1.648) 7.062 34.220 ( 4.550 7.833 -2.996) 9.541 34.359 ( 0.024 3.505 -1.959) 4.015 34.539 ( 2.078 -0.832 2.594) 3.427 34.793 ( 2.671 -4.098 -2.791) 5.632 35.861 ( -8.061 -2.026 7.160) 10.970 36.068 ( -2.216 -10.569 7.239) 13.001 36.647 ( -1.297 5.873 -7.090) 9.297 37.003 ( -2.167 -8.628 -5.513) 10.466 ======================= Grid point 67 (35/88) ======================= q-point: (-0.43 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -2.742 3.047 2.057) 4.586 2.436 ( 3.415 -3.114 1.932) 5.009 2.595 ( -3.747 4.395 -7.021) 9.091 2.660 ( -0.765 -0.713 -1.731) 2.022 2.893 ( -1.367 10.714 -3.608) 11.388 3.070 ( -6.210 4.941 -3.988) 8.881 3.302 ( -5.243 -2.108 -2.113) 6.033 3.455 ( -17.704 20.642 -5.567) 27.759 3.699 ( 5.724 -11.729 1.749) 13.168 3.855 ( -8.142 13.816 -2.558) 16.240 4.138 ( -0.801 6.666 6.304) 9.209 4.338 ( -1.713 -1.024 -3.536) 4.060 4.534 ( 0.634 8.477 5.732) 10.252 4.559 ( 1.853 1.672 -0.587) 2.564 4.678 ( -0.446 -5.527 4.197) 6.954 4.773 ( -1.331 4.619 -2.557) 5.445 4.783 ( 1.308 -5.504 -9.140) 10.749 4.973 ( -1.884 -3.390 -2.258) 4.488 5.050 ( -2.637 -4.663 -3.360) 6.324 5.167 ( -6.798 0.452 -4.656) 8.252 5.211 ( -4.127 4.724 -7.125) 9.493 5.413 ( -0.739 -1.074 6.030) 6.169 5.574 ( -0.541 1.788 -7.275) 7.511 5.647 ( -2.196 -0.840 -2.955) 3.776 5.768 ( -5.059 -2.583 -0.368) 5.692 5.814 ( -15.323 -3.517 -1.411) 15.785 6.142 ( 3.956 -3.785 7.447) 9.243 6.296 ( 8.577 4.685 8.198) 12.756 6.388 ( 2.423 -0.885 3.282) 4.175 6.404 ( -6.275 2.473 9.771) 11.872 6.450 ( 6.366 -6.415 2.825) 9.469 6.765 ( -0.770 -10.473 11.191) 15.346 6.896 ( -3.704 3.021 -1.041) 4.892 6.999 ( -2.691 6.555 10.214) 12.431 7.109 ( 2.556 -4.260 -0.716) 5.020 7.395 ( 2.409 -7.511 5.061) 9.372 7.540 ( 6.072 5.282 7.954) 11.315 7.656 ( 9.321 -0.219 14.444) 17.192 7.825 ( 0.745 3.433 -1.262) 3.733 7.934 ( -1.063 2.119 -2.826) 3.689 8.109 ( -1.532 0.536 6.476) 6.676 8.221 ( 0.107 -2.519 0.656) 2.605 8.297 ( -2.346 2.287 -0.777) 3.367 8.458 ( 1.064 -1.472 -2.440) 3.042 8.690 ( -2.503 -2.251 3.251) 4.680 8.783 ( -2.878 -2.606 2.796) 4.784 8.889 ( 3.087 -2.409 -0.017) 3.916 9.112 ( 1.859 0.521 -1.122) 2.233 9.188 ( -3.960 -2.402 -4.481) 6.444 9.383 ( -4.762 5.252 -4.846) 8.587 9.511 ( 1.989 -7.045 -0.117) 7.321 9.729 ( 0.614 -8.712 -7.042) 11.219 9.869 ( 7.536 0.845 -6.501) 9.988 10.018 ( -0.893 -5.893 3.958) 7.155 10.408 ( 6.870 2.386 -1.014) 7.343 10.560 ( 2.891 -0.925 7.855) 8.421 10.672 ( 2.656 8.532 -6.802) 11.230 10.869 ( 0.350 0.493 -6.819) 6.845 10.949 ( -0.429 1.689 -4.463) 4.791 11.087 ( -0.304 10.034 -7.082) 12.285 11.286 ( 4.028 -11.804 -15.008) 19.514 11.331 ( -0.110 8.303 6.130) 10.321 11.460 ( -3.518 1.875 -1.187) 4.160 11.833 ( 2.974 -0.929 -2.838) 4.215 11.938 ( 1.128 4.134 -5.448) 6.931 12.106 ( -2.079 -1.306 3.211) 4.042 12.209 ( -5.338 -0.630 0.944) 5.458 12.290 ( -2.166 1.373 -3.519) 4.354 12.702 ( 2.814 -0.606 -6.394) 7.012 12.902 ( 5.136 -6.387 -4.636) 9.416 13.102 ( 1.249 -3.939 -1.808) 4.510 13.161 ( -1.513 -0.645 -7.677) 7.851 13.440 ( -0.443 1.515 7.009) 7.184 13.573 ( 3.090 -5.171 12.103) 13.519 13.625 ( 3.473 0.586 6.332) 7.245 13.941 ( 8.845 -10.214 12.350) 18.305 14.440 ( 0.938 7.243 0.657) 7.333 14.638 ( -0.227 -1.439 -3.687) 3.965 14.756 ( 5.418 -4.163 -3.822) 7.829 14.813 ( 1.365 -4.089 -3.536) 5.576 15.498 ( 0.513 -1.738 5.320) 5.621 15.593 ( -1.765 -3.033 6.501) 7.388 15.931 ( -7.465 4.576 6.474) 10.889 16.159 ( -12.689 -0.971 -2.206) 12.916 16.496 ( -0.614 2.246 0.707) 2.434 16.543 ( -0.116 -1.569 -3.514) 3.850 16.632 ( 3.529 5.784 -6.953) 9.708 16.805 ( 2.867 -2.000 -10.038) 10.630 16.872 ( 1.282 -3.155 4.402) 5.566 17.118 ( -3.883 -5.529 8.133) 10.573 17.212 ( -2.920 4.340 -1.642) 5.482 17.461 ( -2.564 -4.828 -0.570) 5.496 17.760 ( 0.063 2.835 -0.098) 2.838 17.889 ( 3.636 -1.325 -0.580) 3.913 18.187 ( -3.693 4.070 -9.877) 11.303 18.311 ( -1.466 -1.385 -10.453) 10.646 18.733 ( -3.074 5.966 3.906) 7.766 18.804 ( 3.669 2.013 5.342) 6.786 19.312 ( 0.485 8.579 9.897) 13.107 19.568 ( -5.685 -0.075 0.276) 5.692 21.510 ( 3.028 1.831 0.146) 3.542 21.598 ( 6.575 -1.320 0.170) 6.708 22.164 ( 1.672 0.592 0.155) 1.781 22.238 ( 3.140 -2.313 -0.926) 4.008 27.548 ( -2.311 2.819 3.095) 4.782 27.751 ( 0.315 -6.710 5.004) 8.377 28.079 ( -2.465 0.779 -1.739) 3.116 28.446 ( -4.820 -18.229 -2.174) 18.981 29.910 ( -0.665 0.744 0.045) 0.999 29.938 ( 0.040 0.099 -0.028) 0.111 30.252 ( -1.263 0.933 1.051) 1.890 30.344 ( -3.661 -2.499 -1.826) 4.794 31.091 ( 0.315 3.675 -0.756) 3.765 31.110 ( 1.540 4.150 -0.380) 4.443 31.624 ( 2.111 3.369 0.524) 4.010 31.715 ( 1.321 -0.039 -0.544) 1.429 32.225 ( -1.550 5.282 4.987) 7.428 32.336 ( -2.242 0.575 7.135) 7.501 32.673 ( -1.606 3.650 -0.969) 4.104 32.691 ( -4.811 0.533 -7.380) 8.826 32.993 ( -3.068 5.052 -0.475) 5.929 33.213 ( -0.046 -3.852 2.141) 4.408 33.589 ( 3.920 5.058 -1.223) 6.515 33.809 ( 1.000 -3.028 -3.021) 4.392 34.264 ( -0.515 9.025 0.085) 9.040 34.314 ( -2.163 1.841 -1.392) 3.163 34.557 ( -1.934 -0.990 2.341) 3.193 34.807 ( 0.807 -5.191 -2.785) 5.946 35.771 ( -5.103 2.054 4.166) 6.900 36.113 ( 0.086 -12.086 9.094) 15.125 36.666 ( 8.376 4.553 -6.023) 11.277 36.975 ( 4.452 -7.755 -6.949) 11.325 ======================= Grid point 68 (36/88) ======================= q-point: (-0.29 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -4.711 18.210 1.847) 18.900 2.374 ( -9.671 11.928 -5.058) 16.168 2.537 ( 2.990 -2.815 0.124) 4.109 2.627 ( -0.832 -1.452 -1.839) 2.487 2.850 ( -2.904 10.595 0.815) 11.016 2.955 ( -18.592 16.970 0.116) 25.173 3.013 ( -0.526 5.207 -4.345) 6.803 3.270 ( -3.678 0.108 0.954) 3.801 3.614 ( -8.790 8.840 -5.118) 13.476 3.757 ( -4.441 -13.363 -0.713) 14.099 4.009 ( -22.457 4.133 1.576) 22.889 4.143 ( -6.902 -2.442 0.900) 7.376 4.435 ( -11.458 -4.583 -0.771) 12.364 4.461 ( -2.165 -8.578 -13.129) 15.832 4.578 ( -21.486 1.491 -3.199) 21.773 4.656 ( 0.147 11.858 -1.001) 11.901 4.823 ( 0.106 1.220 4.910) 5.061 4.907 ( 2.723 -5.261 4.677) 7.548 4.985 ( -4.794 -0.593 -7.820) 9.191 5.009 ( -2.381 -0.989 2.080) 3.312 5.119 ( -1.893 0.977 0.799) 2.275 5.363 ( -5.766 -1.110 -3.736) 6.960 5.453 ( -12.939 -2.811 1.263) 13.301 5.548 ( 4.655 -8.464 -1.058) 9.717 5.750 ( 2.788 1.152 -2.299) 3.793 5.826 ( 10.757 5.738 2.214) 12.391 6.197 ( -0.018 -0.821 7.068) 7.115 6.384 ( -4.282 0.601 2.656) 5.075 6.448 ( 0.430 3.681 7.712) 8.556 6.555 ( 9.853 -1.360 14.557) 17.631 6.600 ( 5.007 -1.149 -0.422) 5.154 6.784 ( -2.571 -3.555 6.972) 8.238 6.810 ( -4.459 2.827 5.579) 7.681 7.089 ( -0.987 -0.487 -3.815) 3.970 7.150 ( 6.266 1.435 5.616) 8.536 7.393 ( -3.680 -2.099 -2.486) 4.912 7.669 ( -4.400 0.933 -1.436) 4.721 7.785 ( -1.892 1.864 8.672) 9.069 7.858 ( 1.932 0.728 2.293) 3.086 7.954 ( 3.327 -0.690 3.178) 4.652 8.081 ( -0.958 -0.250 -4.873) 4.972 8.197 ( -0.072 -4.237 1.264) 4.423 8.313 ( 1.145 1.365 0.853) 1.975 8.475 ( 1.034 -3.412 -1.933) 4.056 8.696 ( 0.708 -2.073 6.282) 6.653 8.753 ( -4.424 -2.918 6.649) 8.503 8.993 ( 2.954 3.716 -3.890) 6.137 9.125 ( 2.599 -1.117 0.904) 2.970 9.183 ( 4.465 -3.176 3.929) 6.742 9.268 ( -4.817 4.061 0.549) 6.324 9.546 ( 3.276 -8.630 -2.294) 9.512 9.735 ( 3.604 -13.406 -7.659) 15.855 9.956 ( 6.789 -0.398 -5.149) 8.530 10.027 ( -1.389 -3.592 2.941) 4.845 10.538 ( 6.382 4.139 -2.944) 8.157 10.677 ( 3.908 10.567 -0.637) 11.284 10.715 ( 6.731 -0.395 -4.285) 7.989 10.842 ( 5.731 8.174 -16.680) 19.439 10.857 ( 1.070 0.748 -12.717) 12.784 11.118 ( 3.060 3.944 3.225) 5.943 11.259 ( 2.039 -7.064 -0.887) 7.405 11.395 ( -3.230 9.875 6.004) 12.000 11.442 ( 5.229 -7.540 8.078) 12.225 11.841 ( -1.026 -1.725 -1.398) 2.446 12.001 ( -6.136 3.527 1.629) 7.262 12.009 ( 3.100 4.395 -6.815) 8.681 12.206 ( 5.478 -1.215 4.273) 7.053 12.288 ( 7.227 -1.590 -7.563) 10.581 12.735 ( 4.716 1.282 -5.046) 7.025 12.945 ( 1.302 -12.103 -0.860) 12.203 13.101 ( 0.440 0.142 -6.021) 6.039 13.151 ( 5.073 -2.564 -0.089) 5.684 13.511 ( 2.107 3.322 4.682) 6.116 13.658 ( -1.587 -3.686 6.511) 7.648 13.781 ( 7.514 4.175 3.907) 9.442 14.160 ( 6.566 -7.609 3.236) 10.559 14.491 ( 3.473 7.413 1.207) 8.275 14.653 ( 5.581 -0.553 -5.345) 7.747 14.822 ( 1.905 -2.489 -1.610) 3.524 14.860 ( 7.262 -3.959 -3.826) 9.114 15.525 ( -4.213 0.962 6.833) 8.085 15.652 ( -0.563 -3.450 10.290) 10.868 15.781 ( -8.582 -0.058 6.267) 10.627 15.873 ( -14.175 -2.382 1.133) 14.419 16.342 ( -10.947 3.980 -3.769) 12.243 16.448 ( -5.019 -3.644 -7.766) 9.938 16.619 ( 0.091 4.319 -9.105) 10.077 16.801 ( 3.055 -0.738 -6.967) 7.643 16.943 ( 0.723 -3.073 3.468) 4.690 17.010 ( -11.276 -2.429 2.523) 11.807 17.146 ( -2.789 0.377 3.038) 4.141 17.374 ( -5.411 -5.210 -1.739) 7.710 17.800 ( 1.771 6.511 3.080) 7.418 17.970 ( 3.257 4.172 -2.796) 5.986 18.116 ( 4.477 -1.910 -2.069) 5.289 18.264 ( 1.009 0.577 -6.471) 6.574 18.570 ( -9.915 6.309 -2.197) 11.956 18.894 ( -2.524 -4.548 3.680) 6.372 19.290 ( -8.182 4.989 7.660) 12.268 19.426 ( -7.342 -0.412 1.331) 7.473 21.674 ( 12.743 5.346 -0.090) 13.819 21.810 ( 12.755 0.076 1.188) 12.811 22.209 ( 2.609 0.711 -0.318) 2.723 22.323 ( 5.969 -4.046 -1.231) 7.315 27.503 ( -4.204 3.689 2.634) 6.183 27.738 ( -5.059 -7.289 2.600) 9.246 27.955 ( -8.952 -2.648 -0.136) 9.337 28.206 ( -16.632 -16.914 -3.737) 24.015 29.900 ( -0.565 1.867 0.320) 1.977 29.933 ( -0.165 0.662 -0.029) 0.683 30.191 ( -5.506 0.221 -0.603) 5.543 30.248 ( -4.017 -2.382 -0.145) 4.672 31.091 ( 0.395 3.271 -0.988) 3.440 31.140 ( 1.848 1.637 -1.107) 2.705 31.678 ( 2.820 3.140 0.225) 4.227 31.747 ( 1.950 0.556 -0.470) 2.082 32.234 ( -1.957 5.381 6.070) 8.345 32.336 ( -3.199 0.606 6.323) 7.112 32.539 ( -4.189 -0.046 -5.252) 6.718 32.575 ( -4.576 -1.127 -4.611) 6.593 32.953 ( -3.291 6.755 3.715) 8.382 33.241 ( -1.078 -5.511 6.024) 8.236 33.667 ( 5.466 6.552 -4.046) 9.443 33.833 ( 5.178 2.086 -4.086) 6.918 34.177 ( -5.685 7.049 -0.650) 9.079 34.279 ( -2.441 0.302 0.022) 2.459 34.518 ( -3.240 -0.873 2.007) 3.910 34.775 ( -1.293 -8.355 -4.031) 9.366 35.748 ( 0.159 7.954 3.441) 8.668 36.198 ( 0.111 -11.852 10.710) 15.975 36.858 ( 14.048 2.750 -4.686) 15.062 37.066 ( 10.369 -5.214 -7.442) 13.787 ======================= Grid point 69 (37/88) ======================= q-point: (-0.14 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -10.637 29.886 -4.203) 32.000 2.266 ( -11.340 33.676 8.676) 36.578 2.496 ( -9.834 3.128 2.219) 10.556 2.589 ( -1.856 -2.129 -0.203) 2.832 2.630 ( -0.967 0.168 1.482) 1.778 2.812 ( -2.287 8.195 3.566) 9.226 3.081 ( 4.281 6.843 1.064) 8.141 3.216 ( -3.810 12.392 3.645) 13.467 3.417 ( -13.247 -5.438 2.224) 14.492 3.564 ( -3.814 2.216 -2.491) 5.066 3.682 ( -11.343 -3.248 6.232) 13.343 3.967 ( -6.394 -4.795 -0.099) 7.993 4.236 ( -7.225 -10.282 -5.864) 13.867 4.321 ( -1.661 -5.182 -7.013) 8.876 4.345 ( -3.721 -15.372 5.036) 16.599 4.569 ( -6.859 -0.805 -6.857) 9.732 4.769 ( -4.374 -3.122 0.355) 5.386 4.813 ( -4.161 7.286 -1.626) 8.546 4.946 ( -4.196 -0.950 1.413) 4.529 5.056 ( -0.180 -2.080 5.534) 5.915 5.119 ( 1.367 -1.892 3.870) 4.519 5.291 ( 0.348 3.903 0.939) 4.030 5.373 ( -0.253 -3.828 1.065) 3.982 5.655 ( 4.378 -4.784 -1.686) 6.701 5.800 ( 7.393 -1.060 -6.725) 10.050 5.932 ( 0.439 3.220 2.886) 4.346 6.229 ( -3.158 -0.588 -3.001) 4.396 6.334 ( -3.269 4.202 2.658) 5.950 6.504 ( -0.588 6.580 4.247) 7.853 6.645 ( 3.060 3.351 -7.704) 8.941 6.698 ( -1.723 8.606 0.637) 8.800 6.844 ( 6.308 -5.214 9.020) 12.179 6.862 ( -1.117 0.085 6.523) 6.619 7.040 ( -1.999 -3.859 0.706) 4.403 7.274 ( 0.934 5.099 5.756) 7.746 7.298 ( 0.507 2.755 -4.370) 5.191 7.502 ( -11.395 -2.752 1.396) 11.805 7.637 ( -6.789 -4.459 -9.379) 12.407 7.946 ( -0.395 -1.714 -10.328) 10.476 7.992 ( 3.556 2.130 6.671) 7.854 8.045 ( 0.591 1.183 0.602) 1.453 8.256 ( 3.124 -4.673 -0.338) 5.631 8.324 ( -1.150 -0.588 2.406) 2.731 8.498 ( 3.613 -5.336 -1.759) 6.680 8.708 ( -6.684 0.567 9.181) 11.370 8.775 ( 1.623 -3.164 6.435) 7.352 8.961 ( -1.443 6.721 -0.258) 6.878 9.185 ( -1.773 1.862 0.679) 2.659 9.225 ( 0.731 -1.893 5.772) 6.119 9.322 ( 1.636 -3.666 8.841) 9.710 9.642 ( 4.639 -9.846 1.035) 10.933 9.700 ( 1.460 -12.923 -6.797) 14.674 10.001 ( -2.002 -1.956 1.825) 3.342 10.079 ( 5.762 -3.822 -0.297) 6.921 10.573 ( 3.691 6.516 -10.027) 12.515 10.741 ( 3.634 7.444 -15.345) 17.438 10.772 ( 4.513 3.253 -5.682) 7.953 10.828 ( 8.621 9.174 -8.190) 15.019 10.878 ( 4.332 2.463 -3.484) 6.080 11.173 ( 3.111 0.081 -1.285) 3.366 11.386 ( 0.713 4.272 2.786) 5.149 11.427 ( 3.135 3.671 10.183) 11.270 11.602 ( 2.390 -9.916 3.835) 10.897 11.765 ( -3.582 -0.721 1.545) 3.967 11.874 ( -5.813 -1.521 13.515) 14.791 12.122 ( 5.918 5.208 2.106) 8.159 12.295 ( 3.422 -0.542 0.445) 3.493 12.548 ( 17.009 -6.398 -0.491) 18.180 12.799 ( 4.222 1.926 -1.141) 4.779 12.938 ( -2.635 -13.855 2.028) 14.248 13.088 ( 1.948 4.560 -2.687) 5.640 13.271 ( 5.486 -4.463 0.329) 7.080 13.555 ( -0.069 -0.131 -1.492) 1.500 13.635 ( -2.854 -2.182 1.953) 4.089 14.026 ( 18.942 3.718 -8.100) 20.934 14.262 ( 8.275 -4.289 -9.940) 13.626 14.594 ( 4.929 6.722 3.072) 8.883 14.725 ( 3.456 1.001 -3.304) 4.885 14.882 ( 5.708 0.691 -1.924) 6.063 14.955 ( 5.180 -1.969 -5.419) 7.750 15.416 ( -12.615 0.661 6.989) 14.437 15.471 ( -14.254 -2.745 3.576) 14.950 15.665 ( -6.212 3.958 -0.247) 7.370 15.951 ( -6.919 3.444 -1.986) 7.979 16.001 ( -2.332 -5.998 0.590) 6.463 16.251 ( -8.813 -8.285 -4.665) 12.964 16.541 ( -0.391 2.240 -7.397) 7.739 16.720 ( -4.672 -3.359 -9.472) 11.083 16.860 ( -4.248 3.633 0.221) 5.594 16.934 ( -2.795 -0.227 6.249) 6.850 17.133 ( -3.823 -3.208 8.730) 10.056 17.234 ( -4.966 -4.336 -2.099) 6.918 17.847 ( -1.291 11.739 4.739) 12.725 18.029 ( 7.127 5.848 -1.373) 9.321 18.162 ( -6.178 5.891 1.991) 8.766 18.296 ( 9.915 -5.446 1.781) 11.451 18.421 ( -3.249 -4.575 -4.714) 7.329 18.692 ( -17.114 -11.151 -0.609) 20.435 19.173 ( -7.494 9.249 3.966) 12.548 19.355 ( -0.961 2.255 -0.049) 2.451 21.944 ( 12.316 6.669 -0.742) 14.025 22.063 ( 10.446 1.888 1.517) 10.723 22.250 ( 1.902 1.224 -0.881) 2.427 22.436 ( 5.805 -5.899 -1.517) 8.414 27.439 ( -3.350 4.110 0.725) 5.352 27.574 ( -14.038 -5.550 -0.259) 15.098 27.715 ( -10.195 -3.562 -4.217) 11.593 27.873 ( -11.919 -9.205 2.144) 15.212 29.890 ( -0.402 2.721 -0.023) 2.751 29.949 ( 1.494 0.533 0.924) 1.835 30.066 ( -5.411 1.412 -1.006) 5.682 30.179 ( -3.317 -2.883 0.575) 4.432 31.091 ( 0.508 2.874 -1.134) 3.131 31.156 ( 1.214 0.255 -2.982) 3.229 31.727 ( 2.074 2.794 -0.819) 3.575 31.769 ( 0.852 1.080 -1.578) 2.093 32.243 ( -2.041 4.952 6.006) 8.047 32.306 ( -3.632 1.137 3.655) 5.276 32.470 ( -2.565 -1.539 -1.639) 3.411 32.477 ( -0.759 -1.382 1.775) 2.374 32.913 ( -2.926 7.053 2.882) 8.162 33.250 ( -2.071 -7.149 4.687) 8.796 33.729 ( 4.310 7.805 -4.356) 9.923 33.941 ( 3.518 -0.470 3.461) 4.958 34.074 ( -2.120 5.444 -2.329) 6.289 34.217 ( -2.563 -1.586 -1.533) 3.381 34.474 ( -2.256 -0.843 0.889) 2.567 34.704 ( -1.302 -9.062 -6.147) 11.027 35.828 ( 3.838 10.014 4.940) 11.807 36.266 ( -2.514 -11.174 11.584) 16.290 37.072 ( 9.769 2.038 -4.960) 11.144 37.257 ( 13.340 -5.001 -6.841) 15.804 ======================= Grid point 70 (38/88) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 2.527 -10.990 -1.484) 11.374 2.303 ( 2.527 10.990 -1.484) 11.374 2.614 ( -1.422 -4.683 2.942) 5.710 2.614 ( -1.422 4.683 2.942) 5.710 2.905 ( 2.196 -19.093 2.706) 19.409 2.905 ( 2.196 19.093 2.706) 19.409 3.306 ( 1.446 -18.123 3.693) 18.552 3.306 ( 1.446 18.123 3.693) 18.552 3.381 ( 5.777 -10.028 8.855) 14.573 3.381 ( 5.777 10.028 8.855) 14.573 3.701 ( 4.373 -6.788 0.217) 8.077 3.701 ( 4.373 6.788 0.217) 8.077 4.090 ( -0.262 -4.784 4.402) 6.507 4.090 ( -0.262 4.784 4.402) 6.507 4.374 ( 1.599 -6.032 2.358) 6.671 4.374 ( 1.599 6.032 2.358) 6.671 4.709 ( -7.219 -8.583 0.504) 11.227 4.709 ( -7.219 8.583 0.504) 11.227 4.899 ( 0.213 -2.011 -3.994) 4.477 4.899 ( 0.213 2.011 -3.994) 4.477 5.216 ( -0.096 -3.940 4.336) 5.859 5.216 ( -0.096 3.940 4.336) 5.859 5.586 ( -0.271 -6.026 1.627) 6.247 5.586 ( -0.271 6.026 1.627) 6.247 5.873 ( 6.339 -4.734 -7.692) 11.034 5.873 ( 6.339 4.734 -7.692) 11.034 6.225 ( -4.447 -2.416 -1.739) 5.351 6.225 ( -4.447 2.416 -1.739) 5.351 6.517 ( -9.455 -5.421 -12.004) 16.213 6.517 ( -9.455 5.421 -12.004) 16.213 6.861 ( -4.860 -2.438 1.660) 5.685 6.861 ( -4.861 2.438 1.660) 5.685 6.895 ( -5.033 -7.575 4.547) 10.169 6.895 ( -5.033 7.575 4.547) 10.169 7.267 ( -2.040 -3.150 -1.930) 4.220 7.267 ( -2.040 3.150 -1.930) 4.220 7.497 ( 8.694 -1.431 -2.100) 9.058 7.497 ( 8.694 1.431 -2.100) 9.058 7.912 ( -2.611 -8.909 -2.349) 9.576 7.912 ( -2.611 8.909 -2.349) 9.576 8.220 ( 1.809 -3.246 0.115) 3.717 8.220 ( 1.809 3.246 0.115) 3.717 8.431 ( 2.620 -5.896 2.736) 7.008 8.431 ( 2.620 5.896 2.736) 7.008 8.732 ( -2.647 -6.045 6.461) 9.235 8.732 ( -2.647 6.045 6.461) 9.235 9.125 ( 0.427 -6.336 5.113) 8.152 9.125 ( 0.427 6.336 5.113) 8.152 9.279 ( -1.534 -5.489 2.156) 6.093 9.279 ( -1.534 5.489 2.156) 6.093 9.553 ( -0.882 -10.464 11.621) 15.663 9.553 ( -0.882 10.464 11.621) 15.663 10.056 ( 0.919 -5.038 -1.202) 5.260 10.056 ( 0.919 5.038 -1.202) 5.260 10.705 ( 2.748 -4.274 -11.099) 12.207 10.705 ( 2.748 4.274 -11.099) 12.207 10.932 ( 4.574 -0.982 -8.072) 9.330 10.932 ( 4.574 0.982 -8.072) 9.330 11.159 ( 3.974 -8.370 -0.172) 9.267 11.159 ( 3.974 8.370 -0.172) 9.267 11.402 ( -4.147 -2.230 -6.601) 8.108 11.402 ( -4.147 2.230 -6.601) 8.108 11.634 ( 1.164 -9.061 9.421) 13.123 11.634 ( 1.164 9.061 9.421) 13.123 12.173 ( 0.596 -18.292 9.044) 20.414 12.173 ( 0.596 18.292 9.044) 20.414 12.351 ( 0.982 -4.841 4.028) 6.374 12.351 ( 0.982 4.841 4.028) 6.374 12.919 ( -0.261 -0.470 4.031) 4.066 12.919 ( -0.261 0.470 4.031) 4.066 13.220 ( 2.016 -4.030 -2.872) 5.343 13.220 ( 2.016 4.030 -2.872) 5.343 13.529 ( -3.594 -3.093 -2.262) 5.254 13.529 ( -3.594 3.093 -2.262) 5.254 14.205 ( 3.887 -6.554 -23.608) 24.807 14.205 ( 3.887 6.554 -23.608) 24.807 14.671 ( -6.345 -0.663 1.081) 6.470 14.671 ( -6.345 0.663 1.081) 6.470 15.063 ( 10.055 -1.320 -2.668) 10.486 15.063 ( 10.055 1.320 -2.668) 10.486 15.212 ( -8.383 -0.105 4.878) 9.700 15.212 ( -8.383 0.105 4.878) 9.700 15.615 ( -9.422 -2.339 -11.066) 14.721 15.615 ( -9.422 2.339 -11.066) 14.721 16.075 ( 5.392 -6.492 4.270) 9.458 16.075 ( 5.392 6.492 4.270) 9.458 16.595 ( 3.903 -3.269 -7.501) 9.065 16.595 ( 3.903 3.269 -7.501) 9.065 16.926 ( 1.166 -5.411 7.552) 9.364 16.926 ( 1.166 5.411 7.552) 9.364 17.163 ( 2.434 -4.102 6.592) 8.136 17.163 ( 2.434 4.102 6.592) 8.136 18.022 ( -3.566 -7.726 0.055) 8.509 18.022 ( -3.566 7.726 0.055) 8.509 18.264 ( -5.825 -4.906 -1.783) 7.822 18.264 ( -5.825 4.906 -1.783) 7.822 18.390 ( 9.328 -6.858 5.772) 12.937 18.390 ( 9.328 6.858 5.772) 12.937 19.278 ( -3.469 -6.317 -2.062) 7.496 19.278 ( -3.469 6.317 -2.062) 7.496 22.174 ( -0.444 -3.527 1.076) 3.714 22.174 ( -0.444 3.527 1.076) 3.714 22.349 ( 0.469 -6.536 -1.774) 6.788 22.349 ( 0.469 6.536 -1.774) 6.788 27.495 ( 2.870 -6.661 0.504) 7.271 27.495 ( 2.870 6.661 0.504) 7.271 27.551 ( -3.160 -7.504 -0.313) 8.148 27.551 ( -3.160 7.504 -0.313) 8.148 29.943 ( -0.331 -1.789 -0.404) 1.864 29.943 ( -0.331 1.789 -0.404) 1.864 30.078 ( 0.591 -2.830 1.079) 3.086 30.078 ( 0.591 2.830 1.079) 3.086 31.137 ( 0.321 -1.363 -1.177) 1.829 31.137 ( 0.321 1.363 -1.177) 1.829 31.770 ( -0.227 -0.565 -1.849) 1.947 31.770 ( -0.227 0.565 -1.849) 1.947 32.286 ( -2.630 -0.238 3.321) 4.243 32.286 ( -2.630 0.238 3.321) 4.243 32.485 ( 2.346 -2.087 3.880) 4.991 32.485 ( 2.346 2.087 3.880) 4.991 33.080 ( -0.883 -8.427 5.693) 10.208 33.080 ( -0.883 8.427 5.693) 10.208 33.914 ( -0.221 -4.500 -2.147) 4.991 33.914 ( -0.221 4.500 -2.147) 4.991 34.107 ( 0.527 -3.566 -1.699) 3.985 34.107 ( 0.527 3.566 -1.699) 3.985 34.493 ( 0.716 -5.283 -3.454) 6.352 34.493 ( 0.716 5.283 -3.454) 6.352 36.083 ( -2.615 -7.555 7.108) 10.697 36.083 ( -2.615 7.555 7.108) 10.697 37.237 ( 2.434 -5.691 -6.431) 8.926 37.237 ( 2.434 5.691 -6.431) 8.926 ======================= Grid point 72 (39/88) ======================= q-point: ( 0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 1.314 -8.311 -3.712) 9.196 2.347 ( 1.314 8.311 -3.712) 9.196 2.667 ( 2.777 -2.500 4.160) 5.592 2.667 ( 2.777 2.500 4.160) 5.592 3.060 ( 10.956 -15.612 2.489) 19.235 3.060 ( 10.956 15.612 2.489) 19.235 3.344 ( -0.079 -5.070 3.400) 6.105 3.344 ( -0.079 5.070 3.400) 6.105 3.610 ( 7.198 -10.598 7.901) 15.052 3.610 ( 7.198 10.598 7.901) 15.052 3.880 ( 10.756 -2.800 3.676) 11.707 3.880 ( 10.756 2.800 3.676) 11.707 4.199 ( 10.289 -5.082 0.266) 11.479 4.199 ( 10.289 5.082 0.266) 11.479 4.565 ( 0.539 -0.812 0.176) 0.990 4.565 ( 0.539 0.812 0.176) 0.990 4.653 ( 14.132 -7.210 8.865) 18.174 4.653 ( 14.132 7.210 8.865) 18.174 4.895 ( 1.876 -2.477 -2.867) 4.228 4.895 ( 1.876 2.477 -2.867) 4.228 5.267 ( 1.161 -10.692 1.944) 10.930 5.267 ( 1.161 10.692 1.944) 10.930 5.549 ( -1.464 -6.824 1.712) 7.186 5.549 ( -1.464 6.824 1.712) 7.186 5.876 ( -1.242 -7.499 -6.475) 9.985 5.876 ( -1.242 7.499 -6.475) 9.985 6.150 ( -2.934 -6.845 -7.568) 10.617 6.150 ( -2.934 6.845 -7.568) 10.618 6.235 ( -4.605 -1.458 -7.462) 8.889 6.235 ( -4.605 1.458 -7.462) 8.889 6.605 ( -17.182 -5.261 0.647) 17.981 6.605 ( -17.182 5.261 0.647) 17.981 6.902 ( 0.952 -2.452 2.260) 3.468 6.902 ( 0.952 2.452 2.260) 3.468 7.271 ( 2.552 -2.142 -1.037) 3.490 7.271 ( 2.552 2.142 -1.037) 3.490 7.608 ( 1.490 -5.172 -7.093) 8.904 7.608 ( 1.490 5.172 -7.093) 8.904 7.889 ( 2.103 -9.197 4.193) 10.324 7.889 ( 2.103 9.197 4.193) 10.324 8.193 ( -4.365 -1.773 0.603) 4.750 8.193 ( -4.365 1.773 0.603) 4.750 8.492 ( 1.011 -5.271 2.625) 5.975 8.492 ( 1.011 5.271 2.625) 5.975 8.727 ( -1.840 -9.262 3.617) 10.112 8.727 ( -1.840 9.262 3.617) 10.112 9.190 ( 0.797 -4.164 3.485) 5.488 9.190 ( 0.797 4.164 3.485) 5.488 9.268 ( -2.176 -4.491 4.077) 6.444 9.268 ( -2.176 4.491 4.077) 6.444 9.624 ( 0.093 -13.946 9.521) 16.886 9.624 ( 0.093 13.946 9.521) 16.886 10.042 ( -2.151 -5.848 1.174) 6.340 10.042 ( -2.151 5.848 1.174) 6.340 10.642 ( -1.666 -3.701 -8.845) 9.731 10.642 ( -1.666 3.701 -8.845) 9.731 10.924 ( 0.477 -0.443 -8.296) 8.321 10.924 ( 0.477 0.443 -8.296) 8.321 11.130 ( -4.116 -2.502 -3.791) 6.129 11.130 ( -4.116 2.502 -3.791) 6.129 11.369 ( 3.103 -7.650 3.674) 9.036 11.369 ( 3.103 7.650 3.674) 9.036 11.714 ( 0.402 -8.149 2.679) 8.587 11.714 ( 0.402 8.149 2.679) 8.587 12.217 ( -2.856 -12.293 7.594) 14.729 12.217 ( -2.856 12.293 7.594) 14.729 12.372 ( -2.268 -9.999 6.002) 11.880 12.372 ( -2.268 9.999 6.002) 11.880 12.916 ( -3.068 -2.678 4.356) 5.963 12.916 ( -3.068 2.678 4.356) 5.963 13.220 ( 1.024 -4.374 -5.433) 7.050 13.220 ( 1.024 4.374 -5.433) 7.050 13.394 ( -6.815 -3.315 -3.756) 8.458 13.394 ( -6.815 3.315 -3.756) 8.458 13.885 ( -11.131 -1.736 -20.673) 23.543 13.885 ( -11.131 1.736 -20.673) 23.543 14.612 ( -1.390 -3.205 -1.181) 3.688 14.612 ( -1.390 3.205 -1.181) 3.688 15.035 ( -10.882 -2.439 1.680) 11.278 15.035 ( -10.882 2.439 1.680) 11.278 15.272 ( 11.632 -4.295 -1.876) 12.541 15.272 ( 11.632 4.295 -1.876) 12.541 15.608 ( 8.892 -3.163 3.225) 9.974 15.608 ( 8.892 3.163 3.225) 9.974 16.189 ( 6.617 -4.531 -2.403) 8.372 16.189 ( 6.617 4.531 -2.403) 8.372 16.597 ( 3.567 -2.640 -9.048) 10.078 16.597 ( 3.567 2.640 -9.048) 10.078 17.072 ( 3.358 -2.532 6.477) 7.723 17.072 ( 3.358 2.532 6.477) 7.723 17.287 ( 4.078 -6.192 5.522) 9.245 17.287 ( 4.078 6.192 5.522) 9.245 17.975 ( -1.548 -7.661 -0.971) 7.876 17.975 ( -1.548 7.661 -0.971) 7.876 18.251 ( 5.190 -2.866 2.694) 6.512 18.251 ( 5.190 2.866 2.694) 6.512 18.584 ( 5.852 -5.206 2.940) 8.366 18.584 ( 5.852 5.206 2.940) 8.366 19.181 ( -2.465 -8.131 -3.722) 9.275 19.181 ( -2.465 8.131 -3.722) 9.275 22.061 ( -11.196 -1.601 1.434) 11.400 22.061 ( -11.196 1.601 1.434) 11.400 22.304 ( -2.957 -5.467 -1.685) 6.440 22.304 ( -2.957 5.467 -1.685) 6.440 27.487 ( 0.361 -3.462 -0.742) 3.558 27.487 ( 0.361 3.462 -0.742) 3.558 27.719 ( 14.303 -4.880 0.164) 15.114 27.719 ( 14.303 4.880 0.164) 15.114 29.926 ( -0.649 -0.995 -0.323) 1.231 29.926 ( -0.649 0.995 -0.323) 1.231 30.144 ( 4.464 -1.287 1.115) 4.778 30.144 ( 4.464 1.287 1.115) 4.778 31.135 ( 0.468 -1.087 -1.025) 1.566 31.135 ( 0.468 1.087 -1.025) 1.566 31.738 ( -1.391 -1.612 -1.751) 2.757 31.738 ( -1.391 1.612 -1.751) 2.757 32.272 ( -1.510 -1.203 3.558) 4.048 32.272 ( -1.510 1.203 3.558) 4.048 32.582 ( 4.623 -3.258 1.947) 5.982 32.582 ( 4.623 3.258 1.947) 5.982 33.134 ( 0.310 -7.277 8.361) 11.089 33.134 ( 0.310 7.277 8.361) 11.089 33.828 ( -4.326 -4.911 -5.429) 8.504 33.828 ( -4.326 4.911 -5.429) 8.504 34.172 ( 5.281 -5.569 0.403) 7.686 34.172 ( 5.281 5.569 0.403) 7.686 34.504 ( 3.398 -6.476 -3.652) 8.174 34.504 ( 3.398 6.476 -3.652) 8.174 36.050 ( -6.241 -4.998 7.103) 10.695 36.050 ( -6.241 4.998 7.103) 10.695 37.145 ( -5.825 -6.146 -6.119) 10.447 37.145 ( -5.825 6.146 -6.119) 10.447 ======================= Grid point 74 (40/88) ======================= q-point: ( 0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -0.664 -5.665 -2.445) 6.206 2.319 ( -0.664 5.665 -2.445) 6.206 2.707 ( -0.482 -0.435 0.660) 0.926 2.707 ( -0.482 0.435 0.660) 0.926 3.249 ( 2.909 -8.312 1.342) 8.908 3.249 ( 2.909 8.312 1.342) 8.908 3.386 ( 3.608 -4.670 -2.273) 6.324 3.386 ( 3.608 4.670 -2.273) 6.324 3.813 ( 9.107 -8.308 6.903) 14.129 3.813 ( 9.107 8.308 6.903) 14.129 4.093 ( 8.194 -4.808 3.855) 10.253 4.093 ( 8.194 4.808 3.855) 10.253 4.410 ( 2.895 -7.809 0.419) 8.339 4.410 ( 2.895 7.809 0.419) 8.339 4.522 ( 8.179 -9.903 -9.882) 16.205 4.522 ( 8.179 9.903 -9.882) 16.205 4.918 ( 0.570 -5.467 1.271) 5.642 4.918 ( 0.570 5.467 1.271) 5.642 5.155 ( 8.638 -2.196 1.562) 9.049 5.155 ( 8.638 2.196 1.562) 9.049 5.288 ( 15.655 -5.248 3.763) 16.934 5.288 ( 15.655 5.248 3.763) 16.934 5.681 ( 3.992 -7.044 10.060) 12.913 5.681 ( 3.992 7.044 10.060) 12.913 5.757 ( -1.384 -7.781 -12.586) 14.861 5.757 ( -1.384 7.781 -12.586) 14.861 6.023 ( 2.151 -2.847 -4.909) 6.069 6.023 ( 2.151 2.847 -4.909) 6.069 6.188 ( -5.741 -9.834 6.665) 13.195 6.188 ( -5.741 9.834 6.665) 13.195 6.344 ( -6.187 -6.695 2.707) 9.510 6.344 ( -6.187 6.695 2.707) 9.510 6.926 ( -0.113 -3.158 0.422) 3.188 6.926 ( -0.113 3.158 0.422) 3.188 7.307 ( -0.422 -1.081 -0.049) 1.161 7.307 ( -0.422 1.081 -0.049) 1.161 7.492 ( -4.770 -5.610 -3.663) 8.224 7.492 ( -4.770 5.610 -3.663) 8.224 7.962 ( -1.279 -6.589 1.518) 6.882 7.962 ( -1.279 6.589 1.518) 6.882 8.136 ( -0.346 -1.543 3.355) 3.709 8.136 ( -0.346 1.543 3.355) 3.709 8.494 ( -2.420 -4.761 1.045) 5.442 8.494 ( -2.420 4.761 1.045) 5.442 8.726 ( -1.570 -8.883 4.674) 10.160 8.726 ( -1.570 8.883 4.674) 10.160 9.145 ( -5.207 -5.547 -0.367) 7.617 9.145 ( -5.207 5.547 -0.367) 7.617 9.283 ( -1.005 -5.391 5.158) 7.529 9.283 ( -1.005 5.391 5.158) 7.529 9.685 ( 0.734 -9.708 1.593) 9.866 9.685 ( 0.734 9.708 1.593) 9.866 9.984 ( -4.691 -5.599 0.319) 7.312 9.984 ( -4.691 5.599 0.319) 7.312 10.497 ( -6.098 -1.244 -5.107) 8.050 10.497 ( -6.098 1.244 -5.107) 8.050 10.844 ( -3.388 -2.695 0.752) 4.394 10.844 ( -3.388 2.695 0.752) 4.394 11.089 ( 5.651 -10.418 -11.729) 16.675 11.089 ( 5.651 10.418 -11.729) 16.675 11.462 ( 1.299 -10.452 4.092) 11.300 11.462 ( 1.299 10.452 4.092) 11.300 11.687 ( -1.227 -6.953 -4.198) 8.215 11.687 ( -1.227 6.953 -4.198) 8.215 12.170 ( -6.689 -6.212 4.196) 10.047 12.170 ( -6.689 6.212 4.196) 10.047 12.377 ( -1.772 -14.047 4.981) 15.009 12.377 ( -1.772 14.047 4.981) 15.009 12.843 ( -5.455 -1.354 -2.525) 6.161 12.843 ( -5.455 1.354 -2.525) 6.161 13.170 ( -0.560 -5.069 -2.908) 5.870 13.170 ( -0.560 5.069 -2.908) 5.870 13.321 ( 1.476 -1.479 1.828) 2.776 13.321 ( 1.476 1.479 1.828) 2.776 13.594 ( -7.075 -2.030 -7.919) 10.811 13.594 ( -7.075 2.030 -7.919) 10.811 14.567 ( -0.378 -4.276 -3.926) 5.818 14.567 ( -0.378 4.276 -3.926) 5.818 14.867 ( -7.230 -4.445 1.359) 8.595 14.867 ( -7.230 4.445 1.359) 8.595 15.441 ( 4.925 -2.558 1.100) 5.658 15.441 ( 4.925 2.558 1.100) 5.658 15.889 ( 13.454 -7.700 7.407) 17.181 15.889 ( 13.454 7.700 7.407) 17.181 16.312 ( 7.553 -1.762 -4.062) 8.755 16.312 ( 7.553 1.762 -4.062) 8.755 16.621 ( 5.386 -5.023 -6.912) 10.100 16.621 ( 5.386 5.023 -6.912) 10.100 17.091 ( -3.802 -2.563 1.961) 4.987 17.091 ( -3.802 2.563 1.961) 4.987 17.365 ( 0.761 -6.910 2.112) 7.265 17.365 ( 0.761 6.910 2.112) 7.265 17.924 ( -3.192 -6.645 -0.717) 7.407 17.924 ( -3.192 6.645 -0.717) 7.407 18.458 ( 8.677 -3.511 7.155) 11.782 18.458 ( 8.677 3.511 7.155) 11.782 18.618 ( -1.528 -2.389 -5.637) 6.310 18.618 ( -1.528 2.389 -5.637) 6.310 19.213 ( 8.453 -10.985 -0.471) 13.869 19.213 ( 8.453 10.985 -0.471) 13.869 21.806 ( -14.435 -0.834 1.729) 14.562 21.806 ( -14.435 0.834 1.729) 14.562 22.229 ( -2.926 -3.179 -1.422) 4.548 22.229 ( -2.926 3.179 -1.422) 4.548 27.522 ( 3.044 -2.618 0.094) 4.017 27.522 ( 3.044 2.618 0.094) 4.017 28.001 ( 12.797 -7.305 -0.861) 14.760 28.001 ( 12.797 7.305 -0.861) 14.760 29.919 ( 0.029 -0.990 -0.157) 1.003 29.919 ( 0.029 0.990 -0.157) 1.003 30.245 ( 4.417 -2.844 0.714) 5.301 30.245 ( 4.417 2.844 0.714) 5.301 31.139 ( 0.588 -0.826 -0.835) 1.313 31.139 ( 0.588 0.826 -0.835) 1.313 31.696 ( -1.327 -2.570 -1.419) 3.221 31.696 ( -1.327 2.570 -1.419) 3.221 32.281 ( -0.822 -2.032 4.234) 4.767 32.281 ( -0.822 2.032 4.234) 4.767 32.686 ( 4.846 -3.888 0.253) 6.218 32.686 ( 4.846 3.888 0.253) 6.218 33.191 ( -1.008 -5.121 5.056) 7.266 33.191 ( -1.008 5.121 5.056) 7.266 33.704 ( -3.711 -6.197 -3.006) 7.824 33.704 ( -3.711 6.197 -3.006) 7.824 34.279 ( 5.241 -5.381 -0.920) 7.568 34.279 ( 5.241 5.381 -0.920) 7.568 34.569 ( 5.096 -8.453 -2.228) 10.118 34.569 ( 5.096 8.453 -2.228) 10.118 35.965 ( -7.463 -3.737 7.165) 11.000 35.965 ( -7.463 3.737 7.165) 11.000 36.957 ( -7.231 -7.816 -5.960) 12.202 36.957 ( -7.231 7.816 -5.960) 12.202 ======================= Grid point 76 (41/88) ======================= q-point: ( 0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 0.486 -3.620 -0.214) 3.659 2.303 ( 0.486 3.620 -0.214) 3.659 2.683 ( -1.064 -0.278 -1.808) 2.116 2.683 ( -1.064 0.278 -1.808) 2.116 3.262 ( 1.119 -13.102 -6.741) 14.777 3.262 ( 1.119 13.102 -6.741) 14.777 3.352 ( -3.666 -3.041 -2.506) 5.382 3.352 ( -3.666 3.041 -2.506) 5.382 4.002 ( 1.816 -9.454 8.149) 12.613 4.002 ( 1.816 9.454 8.149) 12.613 4.316 ( 7.595 -10.941 -1.026) 13.358 4.316 ( 7.595 10.941 -1.026) 13.358 4.396 ( 2.660 -13.516 1.040) 13.814 4.396 ( 2.660 13.516 1.040) 13.814 4.618 ( 5.565 -5.969 -10.080) 12.969 4.618 ( 5.565 5.969 -10.080) 12.969 4.903 ( -2.644 -5.981 3.764) 7.545 4.903 ( -2.644 5.981 3.764) 7.545 5.180 ( 0.680 -4.069 -1.893) 4.539 5.180 ( 0.680 4.069 -1.893) 4.539 5.466 ( -4.390 -1.422 -4.240) 6.267 5.466 ( -4.390 1.422 -4.240) 6.267 5.691 ( 3.395 -9.200 -2.966) 10.245 5.691 ( 3.395 9.200 -2.966) 10.245 5.831 ( -0.931 -0.972 -1.021) 1.689 5.831 ( -0.931 0.972 -1.021) 1.689 6.047 ( 7.964 -3.858 2.032) 9.080 6.047 ( 7.964 3.858 2.032) 9.080 6.280 ( 3.664 -4.685 2.181) 6.335 6.280 ( 3.664 4.685 2.181) 6.335 6.412 ( 3.893 -7.623 15.217) 17.459 6.412 ( 3.893 7.623 15.217) 17.459 6.939 ( 1.792 -2.953 1.855) 3.921 6.939 ( 1.792 2.953 1.855) 3.921 7.229 ( -6.430 -3.000 3.393) 7.865 7.229 ( -6.430 3.000 3.393) 7.865 7.449 ( 0.248 -2.988 7.656) 8.222 7.449 ( 0.248 2.988 7.656) 8.222 7.925 ( -0.892 -3.244 -0.302) 3.378 7.925 ( -0.892 3.244 -0.302) 3.378 8.168 ( -0.980 -2.832 2.570) 3.948 8.168 ( -0.980 2.832 2.570) 3.948 8.429 ( -3.477 -3.503 -0.936) 5.024 8.429 ( -3.477 3.503 -0.936) 5.024 8.724 ( -3.276 -5.121 6.261) 8.727 8.724 ( -3.276 5.121 6.261) 8.727 9.040 ( -3.113 -9.964 -3.680) 11.069 9.040 ( -3.113 9.965 -3.680) 11.069 9.296 ( -0.462 -8.191 2.657) 8.624 9.296 ( -0.462 8.191 2.657) 8.624 9.653 ( -2.557 -6.994 -5.043) 8.994 9.653 ( -2.557 6.994 -5.043) 8.994 9.895 ( -2.117 -5.029 -1.109) 5.568 9.895 ( -2.117 5.029 -1.109) 5.568 10.405 ( 0.108 -4.635 -0.408) 4.654 10.405 ( 0.108 4.635 -0.408) 4.654 10.825 ( -1.729 -4.327 5.648) 7.322 10.825 ( -1.729 4.327 5.648) 7.322 11.091 ( 4.220 -12.036 -16.179) 20.602 11.091 ( 4.220 12.036 -16.179) 20.602 11.459 ( 1.199 -7.772 -9.643) 12.443 11.459 ( 1.199 7.772 -9.643) 12.443 11.644 ( -1.278 -13.626 -0.627) 13.701 11.644 ( -1.278 13.627 -0.627) 13.701 12.055 ( -5.556 -1.277 1.932) 6.019 12.055 ( -5.556 1.277 1.932) 6.019 12.357 ( -2.918 -7.480 0.390) 8.038 12.357 ( -2.918 7.480 0.390) 8.038 12.736 ( -0.859 -2.718 -4.340) 5.193 12.736 ( -0.859 2.718 -4.340) 5.193 13.172 ( 0.174 -6.792 -1.010) 6.869 13.172 ( 0.174 6.792 -1.010) 6.869 13.403 ( 0.763 -5.242 4.848) 7.181 13.403 ( 0.763 5.242 4.848) 7.181 13.512 ( 2.614 -4.616 7.168) 8.917 13.512 ( 2.614 4.616 7.168) 8.917 14.555 ( 2.618 -5.427 -4.785) 7.695 14.555 ( 2.618 5.427 -4.785) 7.695 14.765 ( -3.962 -3.878 0.638) 5.580 14.765 ( -3.962 3.878 0.638) 5.580 15.500 ( 0.206 -2.986 3.013) 4.247 15.500 ( 0.206 2.986 3.013) 4.247 16.140 ( 1.969 -11.835 6.738) 13.760 16.140 ( 1.969 11.835 6.738) 13.760 16.424 ( 8.960 -4.511 -3.990) 10.796 16.424 ( 8.960 4.511 -3.990) 10.796 16.673 ( 3.992 -4.736 -6.071) 8.673 16.673 ( 3.992 4.736 -6.071) 8.673 17.019 ( -4.342 -4.462 3.505) 7.145 17.019 ( -4.342 4.462 3.505) 7.145 17.369 ( -0.550 -6.395 -0.705) 6.457 17.369 ( -0.550 6.395 -0.705) 6.457 17.847 ( -2.730 -4.173 -1.449) 5.193 17.847 ( -2.730 4.173 -1.449) 5.193 18.444 ( -5.444 -2.263 -10.965) 12.449 18.444 ( -5.444 2.263 -10.965) 12.449 18.688 ( 5.168 -3.541 9.426) 11.318 18.688 ( 5.168 3.541 9.426) 11.318 19.422 ( 8.604 -10.704 2.033) 13.883 19.422 ( 8.604 10.704 2.033) 13.883 21.579 ( -7.954 -0.777 0.921) 8.045 21.579 ( -7.954 0.777 0.921) 8.045 22.182 ( -0.663 -1.920 -0.869) 2.209 22.182 ( -0.663 1.920 -0.869) 2.209 27.589 ( 2.134 -2.860 2.564) 4.394 27.589 ( 2.134 2.860 2.564) 4.394 28.172 ( 5.113 -8.477 -1.853) 10.072 28.172 ( 5.113 8.477 -1.853) 10.072 29.922 ( 0.288 -0.333 0.134) 0.460 29.922 ( 0.288 0.333 0.134) 0.460 30.308 ( 1.261 -3.483 -0.071) 3.704 30.308 ( 1.261 3.483 -0.071) 3.704 31.143 ( 0.426 -0.615 -0.836) 1.122 31.143 ( 0.426 0.615 -0.836) 1.122 31.673 ( 0.108 -2.803 -0.837) 2.927 31.673 ( 0.108 2.803 -0.837) 2.927 32.301 ( -0.999 -2.505 5.168) 5.829 32.301 ( -0.999 2.505 5.168) 5.829 32.758 ( 1.720 -2.851 -1.015) 3.482 32.758 ( 1.720 2.851 -1.015) 3.482 33.155 ( -3.015 -4.164 -1.669) 5.406 33.155 ( -3.015 4.164 -1.669) 5.406 33.663 ( -0.013 -6.641 1.650) 6.843 33.663 ( -0.013 6.641 1.650) 6.843 34.354 ( 2.926 -4.297 -1.143) 5.323 34.354 ( 2.926 4.297 -1.143) 5.323 34.639 ( 2.707 -8.792 -1.665) 9.349 34.639 ( 2.707 8.792 -1.665) 9.349 35.891 ( -5.264 -5.052 7.315) 10.331 35.891 ( -5.264 5.052 7.315) 10.331 36.809 ( -1.914 -8.727 -6.511) 11.055 36.809 ( -1.914 8.727 -6.511) 11.055 ======================= Grid point 78 (42/88) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 2.862 -5.010 2.204) 6.176 2.344 ( 2.862 5.010 2.204) 6.176 2.637 ( -1.419 -1.042 -4.396) 4.735 2.637 ( -1.419 1.042 -4.396) 4.735 3.159 ( -3.372 -5.649 -5.052) 8.295 3.159 ( -3.372 5.649 -5.052) 8.295 3.323 ( 0.876 -17.410 -2.929) 17.677 3.323 ( 0.876 17.410 -2.929) 17.677 3.946 ( -11.587 -18.443 -1.139) 21.811 3.946 ( -11.587 18.443 -1.139) 21.811 4.173 ( -10.013 -13.473 -6.352) 17.947 4.173 ( -10.013 13.473 -6.352) 17.947 4.549 ( 4.609 -9.954 -1.747) 11.107 4.549 ( 4.609 9.954 -1.747) 11.107 4.722 ( 4.473 -4.498 1.984) 6.647 4.722 ( 4.473 4.498 1.984) 6.647 4.875 ( 0.134 -4.584 3.915) 6.030 4.875 ( 0.134 4.584 3.915) 6.030 5.122 ( -5.831 -7.167 -3.503) 9.882 5.122 ( -5.831 7.167 -3.503) 9.882 5.348 ( -7.457 -5.454 -5.976) 11.003 5.348 ( -7.457 5.454 -5.976) 11.003 5.654 ( -1.958 -6.773 -4.396) 8.309 5.654 ( -1.958 6.773 -4.396) 8.309 5.715 ( -3.376 -2.359 2.104) 4.624 5.715 ( -3.376 2.359 2.104) 4.624 6.222 ( -3.875 -10.610 1.967) 11.466 6.222 ( -3.875 10.610 1.967) 11.466 6.340 ( 6.588 -0.770 11.287) 13.092 6.340 ( 6.588 0.770 11.287) 13.092 6.548 ( 0.265 -7.788 11.570) 13.950 6.548 ( 0.265 7.788 11.570) 13.950 6.983 ( 0.456 -5.064 1.987) 5.459 6.983 ( 0.456 5.064 1.987) 5.459 7.212 ( 0.316 -9.128 5.299) 10.559 7.212 ( 0.316 9.128 5.299) 10.559 7.640 ( 8.556 -2.976 9.989) 13.485 7.640 ( 8.556 2.976 9.989) 13.485 7.906 ( -1.538 -3.731 -0.819) 4.118 7.906 ( -1.538 3.731 -0.819) 4.118 8.150 ( -1.876 -2.932 3.200) 4.728 8.150 ( -1.876 2.932 3.200) 4.728 8.379 ( -0.087 -4.285 -1.635) 4.587 8.379 ( -0.087 4.285 -1.635) 4.587 8.696 ( -3.810 -3.171 5.163) 7.157 8.696 ( -3.810 3.171 5.163) 7.157 8.989 ( 2.839 -8.323 -5.745) 10.504 8.989 ( 2.839 8.323 -5.745) 10.504 9.294 ( -2.479 -9.104 3.237) 9.975 9.294 ( -2.479 9.104 3.237) 9.975 9.545 ( -1.902 -8.077 -8.361) 11.780 9.545 ( -1.902 8.077 -8.361) 11.780 9.913 ( 3.886 -3.481 -1.148) 5.342 9.913 ( 3.886 3.481 -1.148) 5.342 10.483 ( 6.068 -4.298 2.463) 7.833 10.483 ( 6.068 4.298 2.463) 7.833 10.836 ( -0.969 -3.745 2.293) 4.497 10.836 ( -0.969 3.745 2.293) 4.497 11.040 ( 4.728 -9.005 -12.982) 16.492 11.040 ( 4.728 9.005 -12.982) 16.492 11.346 ( -2.420 -9.772 -13.562) 16.890 11.346 ( -2.420 9.772 -13.562) 16.890 11.643 ( 1.604 -13.783 -0.978) 13.910 11.643 ( 1.604 13.783 -0.978) 13.910 12.030 ( 1.480 -4.595 1.824) 5.161 12.030 ( 1.480 4.595 1.824) 5.161 12.268 ( -4.492 -3.723 -3.579) 6.845 12.268 ( -4.492 3.723 -3.579) 6.845 12.735 ( 2.609 -4.598 -2.748) 5.958 12.735 ( 2.609 4.598 -2.748) 5.958 13.130 ( -0.762 -3.183 -4.251) 5.365 13.130 ( -0.762 3.183 -4.251) 5.365 13.484 ( 1.107 -3.076 11.352) 11.813 13.484 ( 1.107 3.076 11.352) 11.813 13.722 ( 8.829 -8.732 9.612) 15.703 13.722 ( 8.829 8.732 9.612) 15.703 14.582 ( 3.420 -5.366 -4.485) 7.785 14.582 ( 3.420 5.366 -4.485) 7.785 14.731 ( 0.954 -2.869 -0.442) 3.056 14.731 ( 0.954 2.869 -0.442) 3.056 15.522 ( -0.414 -3.072 4.687) 5.619 15.522 ( -0.414 3.072 4.687) 5.619 16.054 ( -11.726 -6.594 3.032) 13.790 16.054 ( -11.726 6.594 3.032) 13.790 16.526 ( -0.770 -1.081 -1.598) 2.077 16.526 ( -0.770 1.081 -1.598) 2.077 16.720 ( 7.385 -3.099 -6.793) 10.502 16.720 ( 7.385 3.099 -6.793) 10.502 16.969 ( -4.828 -7.190 5.118) 10.060 16.969 ( -4.828 7.190 5.118) 10.060 17.333 ( -2.363 -6.450 -2.083) 7.178 17.333 ( -2.363 6.450 -2.083) 7.178 17.839 ( 3.012 -3.532 -0.208) 4.646 17.839 ( 3.012 3.532 -0.208) 4.646 18.259 ( -3.044 -2.897 -11.220) 11.982 18.259 ( -3.044 2.897 -11.220) 11.982 18.814 ( 0.013 -1.501 6.825) 6.988 18.814 ( 0.013 1.501 6.825) 6.988 19.493 ( -4.228 -6.657 4.084) 8.881 19.493 ( -4.228 6.657 4.084) 8.881 21.557 ( 5.708 -2.273 0.178) 6.147 21.557 ( 5.708 2.273 0.178) 6.147 22.191 ( 2.051 -1.848 -0.542) 2.814 22.191 ( 2.051 1.848 -0.542) 2.814 27.628 ( -1.186 -4.673 4.219) 6.406 27.628 ( -1.186 4.673 4.219) 6.406 28.164 ( -4.204 -7.957 -2.535) 9.350 28.164 ( -4.204 7.957 -2.535) 9.350 29.929 ( 0.106 -0.845 0.405) 0.943 29.929 ( 0.106 0.845 0.405) 0.943 30.289 ( -2.681 -2.381 -0.728) 3.659 30.289 ( -2.681 2.381 -0.728) 3.659 31.143 ( 0.267 -0.859 -0.874) 1.254 31.143 ( 0.267 0.859 -0.874) 1.254 31.690 ( 1.837 -2.289 -0.141) 2.938 31.690 ( 1.837 2.289 -0.141) 2.938 32.318 ( -1.803 -2.645 6.026) 6.823 32.318 ( -1.803 2.645 6.026) 6.823 32.701 ( -4.360 -0.229 -6.089) 7.492 32.701 ( -4.360 0.229 -6.089) 7.492 33.109 ( -1.569 -5.358 2.517) 6.124 33.109 ( -1.569 5.358 2.517) 6.124 33.709 ( 3.783 -5.647 -0.377) 6.807 33.709 ( 3.783 5.647 -0.377) 6.807 34.362 ( -2.071 -1.822 0.022) 2.759 34.362 ( -2.071 1.822 0.022) 2.759 34.638 ( -1.047 -8.732 -1.998) 9.018 34.638 ( -1.047 8.732 -1.998) 9.018 35.886 ( -1.090 -8.308 7.318) 11.125 35.886 ( -1.090 8.308 7.318) 11.125 36.801 ( 6.598 -7.646 -6.850) 12.203 36.801 ( 6.598 7.646 -6.850) 12.203 ======================= Grid point 80 (43/88) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 2.038 -4.557 2.733) 5.691 2.430 ( 2.038 4.557 2.733) 5.691 2.559 ( -1.362 -4.462 -5.141) 6.942 2.559 ( -1.362 4.462 -5.141) 6.942 3.117 ( 0.198 -5.550 0.219) 5.558 3.117 ( 0.198 5.550 0.219) 5.558 3.272 ( -3.982 -24.597 -2.539) 25.046 3.272 ( -3.982 24.597 -2.539) 25.046 3.622 ( -16.035 -29.235 -6.666) 34.004 3.622 ( -16.035 29.235 -6.666) 34.004 3.894 ( -12.227 -12.363 -4.142) 17.875 3.894 ( -12.227 12.363 -4.142) 17.875 4.460 ( -17.657 -5.725 -1.710) 18.641 4.460 ( -17.657 5.725 -1.710) 18.641 4.615 ( -2.303 -11.525 -7.166) 13.765 4.615 ( -2.303 11.525 -7.166) 13.765 4.950 ( -5.886 -3.564 6.382) 9.385 4.950 ( -5.886 3.564 6.382) 9.385 5.036 ( 1.360 -5.802 1.068) 6.054 5.036 ( 1.360 5.802 1.068) 6.054 5.197 ( -4.746 -9.722 2.294) 11.059 5.197 ( -4.746 9.722 2.294) 11.059 5.442 ( -6.676 -3.314 -0.227) 7.457 5.442 ( -6.676 3.314 -0.227) 7.457 5.808 ( 4.615 -4.780 -3.122) 7.341 5.808 ( 4.615 4.780 -3.122) 7.341 6.270 ( 7.033 -7.693 2.793) 10.791 6.270 ( 7.033 7.693 2.793) 10.791 6.524 ( 2.447 -2.756 11.554) 12.128 6.524 ( 2.447 2.756 11.554) 12.128 6.656 ( 0.759 -6.049 12.804) 14.182 6.656 ( 0.759 6.049 12.804) 14.182 6.956 ( -2.678 -8.823 -0.290) 9.225 6.956 ( -2.678 8.823 -0.290) 9.225 7.276 ( 2.731 -7.148 2.133) 7.944 7.276 ( 2.731 7.148 2.133) 7.944 7.750 ( -5.079 -4.919 -5.217) 8.787 7.750 ( -5.079 4.919 -5.217) 8.787 7.914 ( 4.008 -3.553 6.850) 8.695 7.914 ( 4.008 3.553 6.850) 8.695 8.116 ( -2.179 -3.211 -1.515) 4.166 8.116 ( -2.179 3.211 -1.515) 4.166 8.378 ( 0.096 -4.277 -1.113) 4.420 8.378 ( 0.096 4.277 -1.113) 4.420 8.694 ( -1.270 -1.826 7.720) 8.034 8.694 ( -1.270 1.826 7.720) 8.034 9.069 ( 5.894 -3.851 -1.016) 7.114 9.069 ( 5.894 3.851 -1.016) 7.114 9.273 ( -1.145 -10.386 4.349) 11.318 9.273 ( -1.145 10.386 4.349) 11.318 9.459 ( -1.327 -10.031 -5.681) 11.604 9.459 ( -1.327 10.031 -5.681) 11.604 9.975 ( 3.277 -1.993 -1.903) 4.281 9.975 ( 3.277 1.993 -1.903) 4.281 10.636 ( 7.548 -4.549 -1.656) 8.967 10.636 ( 7.548 4.549 -1.656) 8.967 10.836 ( 3.516 -3.027 -6.122) 7.681 10.836 ( 3.516 3.027 -6.122) 7.681 11.073 ( 4.914 -9.612 -10.515) 15.070 11.073 ( 4.914 9.612 -10.515) 15.070 11.270 ( 3.574 -8.531 -0.028) 9.249 11.270 ( 3.574 8.531 -0.028) 9.249 11.660 ( 0.073 -12.588 0.406) 12.595 11.660 ( 0.073 12.588 0.406) 12.595 12.106 ( 0.450 -6.315 1.229) 6.449 12.106 ( 0.450 6.315 1.229) 6.449 12.159 ( 1.369 -6.433 -4.346) 7.883 12.159 ( 1.369 6.433 -4.346) 7.883 12.777 ( 2.751 -3.089 0.256) 4.144 12.777 ( 2.751 3.089 0.256) 4.144 13.123 ( 3.714 -0.961 -4.565) 5.963 13.123 ( 3.714 0.961 -4.565) 5.963 13.573 ( -0.615 -3.440 7.898) 8.637 13.573 ( -0.615 3.440 7.898) 8.637 13.958 ( 9.558 -10.146 2.280) 14.124 13.958 ( 9.558 10.146 2.280) 14.124 14.624 ( 4.550 -3.785 -3.215) 6.735 14.624 ( 4.550 3.785 -3.215) 6.735 14.797 ( 5.713 -0.955 -1.135) 5.902 14.797 ( 5.713 0.955 -1.135) 5.902 15.572 ( -0.455 -3.285 7.866) 8.536 15.572 ( -0.455 3.285 7.866) 8.536 15.807 ( -14.019 -2.454 4.973) 15.076 15.807 ( -14.019 2.454 4.973) 15.076 16.396 ( -8.760 -2.061 -5.401) 10.495 16.396 ( -8.760 2.061 -5.401) 10.495 16.747 ( 0.564 -5.228 -11.591) 12.728 16.747 ( 0.564 5.228 -11.591) 12.728 16.928 ( -3.561 -2.208 7.799) 8.853 16.928 ( -3.561 2.208 7.799) 8.853 17.240 ( -4.985 -6.433 -2.208) 8.433 17.240 ( -4.985 6.433 -2.208) 8.433 17.945 ( 6.218 -5.818 3.096) 9.061 17.945 ( 6.218 5.818 3.096) 9.061 18.171 ( 1.012 -6.264 -7.423) 9.766 18.171 ( 1.012 6.264 -7.423) 9.766 18.747 ( -10.882 -8.408 1.729) 13.860 18.747 ( -10.882 8.408 1.729) 13.860 19.392 ( -6.646 -3.379 4.445) 8.680 19.392 ( -6.646 3.379 4.445) 8.680 21.774 ( 14.260 -3.410 0.672) 14.678 21.774 ( 14.260 3.410 0.672) 14.678 22.246 ( 3.743 -2.744 -0.823) 4.713 22.246 ( 3.743 2.744 -0.823) 4.713 27.600 ( -4.584 -5.316 3.131) 7.686 27.600 ( -4.584 5.316 3.131) 7.686 27.977 ( -11.960 -5.254 -2.333) 13.270 27.977 ( -11.960 5.254 -2.333) 13.270 29.933 ( 0.023 -0.878 0.346) 0.944 29.933 ( 0.023 0.878 0.346) 0.944 30.206 ( -4.762 -1.345 -0.553) 4.979 30.206 ( -4.762 1.345 -0.553) 4.979 31.141 ( 0.302 -1.298 -0.910) 1.614 31.141 ( 0.302 1.298 -0.910) 1.614 31.734 ( 2.433 -1.722 -0.130) 2.983 31.734 ( 2.433 1.722 -0.130) 2.983 32.324 ( -2.553 -2.334 6.368) 7.247 32.324 ( -2.553 2.334 6.368) 7.247 32.547 ( -5.033 -0.937 -5.681) 7.647 32.547 ( -5.033 0.937 -5.681) 7.647 33.101 ( -2.674 -6.983 4.644) 8.802 33.101 ( -2.674 6.983 4.644) 8.802 33.796 ( 5.770 -4.711 -2.558) 7.876 33.796 ( 5.770 4.711 -2.558) 7.876 34.279 ( -5.661 -2.180 0.048) 6.066 34.279 ( -5.661 2.180 0.048) 6.066 34.585 ( -2.388 -7.550 -1.898) 8.143 34.585 ( -2.388 7.550 -1.898) 8.143 35.954 ( 1.689 -10.625 7.198) 12.944 35.954 ( 1.689 10.625 7.198) 12.944 36.946 ( 12.544 -5.251 -6.503) 15.074 36.946 ( 12.544 5.251 -6.503) 15.074 ======================= Grid point 82 (44/88) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -5.218 -7.762 -3.682) 10.052 2.367 ( -5.218 7.762 -3.682) 10.052 2.590 ( 2.472 -3.883 3.078) 5.537 2.590 ( 2.472 3.883 3.078) 5.537 3.002 ( -11.986 -19.916 -0.817) 23.259 3.002 ( -11.986 19.916 -0.817) 23.259 3.244 ( 2.211 -4.596 1.915) 5.448 3.244 ( 2.211 4.596 1.915) 5.448 3.327 ( -5.661 -31.648 0.019) 32.150 3.327 ( -5.661 31.648 0.019) 32.150 3.708 ( -3.858 -10.628 -2.488) 11.577 3.708 ( -3.858 10.628 -2.488) 11.577 4.152 ( -10.870 -4.293 4.346) 12.469 4.152 ( -10.870 4.293 4.346) 12.469 4.466 ( -7.274 -10.795 -4.935) 13.921 4.466 ( -7.274 10.795 -4.935) 13.921 4.842 ( -8.263 -8.533 6.233) 13.414 4.842 ( -8.263 8.533 6.233) 13.414 4.969 ( -3.892 -1.078 -5.007) 6.432 4.969 ( -3.892 1.078 -5.007) 6.432 5.191 ( -1.005 -7.880 6.036) 9.977 5.191 ( -1.005 7.880 6.036) 9.977 5.496 ( 6.601 -8.866 1.916) 11.218 5.496 ( 6.601 8.866 1.916) 11.218 5.830 ( 3.518 -5.769 -7.563) 10.142 5.830 ( 3.518 5.769 -7.563) 10.142 6.334 ( -4.246 -5.386 1.218) 6.966 6.334 ( -4.246 5.386 1.218) 6.966 6.641 ( 3.068 -3.706 -1.281) 4.979 6.641 ( 3.068 3.706 -1.281) 4.979 6.788 ( 2.347 -0.641 12.884) 13.112 6.788 ( 2.347 0.641 12.884) 13.112 6.934 ( 0.015 -6.498 1.090) 6.588 6.934 ( 0.015 6.498 1.090) 6.588 7.340 ( 0.082 -0.299 3.223) 3.238 7.340 ( 0.082 0.299 3.223) 3.238 7.504 ( -8.637 -5.110 -9.854) 14.064 7.504 ( -8.637 5.110 -9.854) 14.064 7.970 ( -0.589 -3.503 -2.818) 4.534 7.970 ( -0.589 3.503 -2.818) 4.534 8.142 ( 4.444 -5.588 1.141) 7.230 8.142 ( 4.444 5.588 1.141) 7.230 8.376 ( 1.023 -4.968 0.190) 5.076 8.376 ( 1.023 4.968 0.190) 5.076 8.727 ( -2.622 -1.579 8.819) 9.335 8.727 ( -2.622 1.579 8.819) 9.335 9.112 ( -1.452 -6.198 3.078) 7.071 9.112 ( -1.452 6.198 3.078) 7.071 9.305 ( -1.282 -2.752 0.919) 3.172 9.305 ( -1.282 2.752 0.919) 3.172 9.455 ( 2.195 -1.781 6.859) 7.419 9.455 ( 2.195 1.781 6.859) 7.419 10.024 ( 3.277 -2.045 -2.084) 4.389 10.024 ( 3.277 2.045 -2.084) 4.389 10.713 ( 4.964 -4.310 -9.558) 11.601 10.713 ( 4.964 4.310 -9.558) 11.601 10.886 ( 5.201 -1.896 -5.250) 7.629 10.886 ( 5.201 1.896 -5.250) 7.629 11.084 ( 6.556 -9.484 -10.715) 15.739 11.084 ( 6.556 9.484 -10.715) 15.739 11.412 ( 4.944 -5.715 4.031) 8.565 11.412 ( 4.944 5.715 4.031) 8.565 11.633 ( -5.353 -8.999 4.642) 11.453 11.633 ( -5.353 8.999 4.642) 11.453 12.083 ( 1.832 -16.273 2.051) 16.504 12.083 ( 1.832 16.273 2.051) 16.504 12.267 ( 4.772 -3.901 2.555) 6.672 12.267 ( 4.772 3.901 2.555) 6.672 12.854 ( 3.647 -3.244 2.323) 5.406 12.854 ( 3.647 3.244 2.323) 5.406 13.181 ( 4.284 -4.215 -3.013) 6.723 13.181 ( 4.284 4.215 -3.013) 6.723 13.582 ( -1.998 -2.364 1.909) 3.637 13.582 ( -1.998 2.364 1.909) 3.637 14.134 ( 12.069 -6.312 -10.903) 17.446 14.134 ( 12.069 6.312 -10.903) 17.446 14.706 ( 3.744 -3.064 -0.637) 4.880 14.706 ( 3.744 3.064 -0.637) 4.880 14.915 ( 7.697 -1.777 -3.104) 8.487 14.915 ( 7.697 1.777 -3.104) 8.487 15.426 ( -16.378 -0.977 5.105) 17.183 15.426 ( -16.378 0.977 5.105) 17.183 15.803 ( 4.078 -8.167 6.988) 11.496 15.803 ( 4.078 8.167 6.988) 11.496 16.095 ( -14.084 -6.408 -8.736) 17.769 16.095 ( -14.084 6.408 -8.736) 17.769 16.625 ( -1.767 -4.734 -8.826) 10.170 16.625 ( -1.767 4.734 -8.826) 10.170 16.927 ( -3.104 -1.643 5.678) 6.676 16.927 ( -3.104 1.643 5.678) 6.676 17.133 ( -3.801 -3.675 1.761) 5.573 17.133 ( -3.801 3.675 1.761) 5.573 18.087 ( -0.586 -8.339 3.188) 8.947 18.087 ( -0.586 8.339 3.188) 8.947 18.172 ( 7.031 -4.455 0.078) 8.323 18.172 ( 7.031 4.455 0.078) 8.323 18.475 ( -13.494 -8.489 -1.869) 16.051 18.475 ( -13.494 8.489 -1.869) 16.051 19.334 ( -2.576 -4.498 1.682) 5.449 19.334 ( -2.576 4.498 1.682) 5.449 22.054 ( 11.207 -3.035 1.159) 11.668 22.054 ( 11.207 3.035 1.159) 11.668 22.314 ( 3.678 -4.746 -1.408) 6.167 22.314 ( 3.678 4.746 -1.408) 6.167 27.513 ( -4.422 -2.237 -0.004) 4.956 27.513 ( -4.422 2.237 -0.004) 4.956 27.714 ( -11.905 -4.420 -0.031) 12.699 27.714 ( -11.905 4.420 -0.031) 12.699 29.939 ( 0.512 -1.527 0.003) 1.610 29.939 ( 0.512 1.527 0.003) 1.610 30.113 ( -3.994 -2.875 0.262) 4.929 30.113 ( -3.994 2.875 0.262) 4.929 31.140 ( 0.315 -1.544 -1.078) 1.909 31.140 ( 0.315 1.544 -1.078) 1.909 31.770 ( 1.466 -1.039 -1.139) 2.127 31.770 ( 1.466 1.039 -1.139) 2.127 32.315 ( -3.028 -1.113 4.766) 5.755 32.315 ( -3.028 1.113 4.766) 5.755 32.454 ( -1.636 -0.384 0.442) 1.738 32.454 ( -1.636 0.384 0.442) 1.738 33.079 ( -2.589 -8.194 4.049) 9.500 33.079 ( -2.589 8.194 4.049) 9.500 33.880 ( 4.220 -5.346 -1.879) 7.065 33.880 ( 4.220 5.346 -1.879) 7.065 34.169 ( -4.449 -3.232 -1.268) 5.643 34.169 ( -4.449 3.232 -1.268) 5.643 34.526 ( -1.558 -6.106 -2.459) 6.764 34.526 ( -1.558 6.106 -2.459) 6.764 36.042 ( 0.896 -9.953 7.143) 12.283 36.042 ( 0.896 9.953 7.143) 12.283 37.145 ( 11.205 -4.644 -6.271) 13.654 37.145 ( 11.205 4.644 -6.271) 13.654 ======================= Grid point 98 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -5.915 0.000 37.747) 38.207 1.884 ( 0.801 0.000 45.267) 45.274 2.512 ( 2.179 0.000 -4.641) 5.127 2.629 ( 2.589 0.000 -0.277) 2.604 2.740 ( 0.734 0.000 14.552) 14.570 2.848 ( 0.757 0.000 4.303) 4.369 2.941 ( 11.206 0.000 -25.115) 27.502 3.022 ( 3.949 0.000 39.707) 39.903 3.337 ( -7.378 0.000 -7.095) 10.236 3.603 ( -12.032 0.000 1.220) 12.094 3.660 ( 1.704 0.000 24.465) 24.524 3.976 ( 7.082 0.000 -5.801) 9.154 4.199 ( -8.106 0.000 -10.706) 13.429 4.278 ( 15.100 0.000 3.873) 15.589 4.551 ( 13.388 0.000 4.687) 14.185 4.687 ( -16.398 0.000 -8.651) 18.540 4.939 ( -2.691 0.000 -2.759) 3.854 4.946 ( 0.346 0.000 -5.441) 5.452 5.101 ( 2.485 0.000 -3.165) 4.024 5.122 ( 4.528 0.000 9.382) 10.418 5.207 ( -11.384 0.000 8.392) 14.142 5.390 ( -1.199 0.000 8.311) 8.397 5.444 ( 2.141 0.000 -12.208) 12.394 5.561 ( -5.610 0.000 2.055) 5.974 5.568 ( 5.380 0.000 0.288) 5.387 5.905 ( -5.789 0.000 -10.928) 12.367 6.082 ( 4.868 0.000 3.616) 6.064 6.150 ( 10.594 0.000 -10.661) 15.030 6.202 ( -2.510 0.000 1.323) 2.837 6.438 ( -0.570 0.000 -10.223) 10.239 6.522 ( -12.821 0.000 -3.143) 13.201 6.775 ( -11.077 0.000 12.764) 16.900 6.832 ( 6.458 0.000 -12.420) 13.998 7.142 ( -13.451 0.000 2.544) 13.689 7.202 ( 2.647 0.000 -4.786) 5.469 7.318 ( 17.373 0.000 -4.880) 18.045 7.438 ( -0.960 0.000 5.912) 5.990 7.442 ( -6.572 0.000 -2.755) 7.126 7.566 ( 5.763 0.000 -5.085) 7.686 7.770 ( 5.988 0.000 -14.141) 15.357 8.226 ( -6.956 0.000 -0.341) 6.965 8.334 ( 1.486 0.000 -9.049) 9.170 8.357 ( -6.747 0.000 2.641) 7.245 8.456 ( -14.365 0.000 9.580) 17.267 8.530 ( 1.480 0.000 -3.173) 3.501 8.901 ( 4.366 0.000 -0.259) 4.373 9.028 ( 10.671 0.000 -5.842) 12.166 9.236 ( -0.462 0.000 2.480) 2.523 9.422 ( 1.827 0.000 2.929) 3.452 9.556 ( 1.536 0.000 4.184) 4.457 9.777 ( -7.816 0.000 3.116) 8.414 9.841 ( 0.616 0.000 1.463) 1.587 9.985 ( -0.401 0.000 -3.855) 3.875 10.264 ( 5.110 0.000 -13.235) 14.187 10.311 ( 4.275 0.000 5.489) 6.957 10.430 ( -5.352 0.000 -1.945) 5.694 10.817 ( 9.064 0.000 3.020) 9.554 10.996 ( -5.509 0.000 -0.737) 5.558 11.141 ( -8.093 0.000 7.347) 10.931 11.200 ( 2.391 0.000 5.732) 6.210 11.292 ( 5.775 0.000 2.726) 6.386 11.307 ( 0.945 0.000 10.380) 10.423 11.841 ( -1.515 0.000 2.339) 2.787 12.027 ( -6.111 0.000 -3.630) 7.107 12.216 ( 7.928 0.000 9.896) 12.680 12.310 ( 3.402 0.000 6.915) 7.706 12.557 ( 6.656 0.000 5.655) 8.734 12.844 ( 2.534 0.000 12.744) 12.994 12.909 ( -2.259 0.000 2.517) 3.382 13.234 ( -8.068 0.000 -2.669) 8.498 13.281 ( -0.362 0.000 -9.103) 9.110 13.317 ( -5.381 0.000 -17.717) 18.516 13.335 ( 0.187 0.000 -2.152) 2.161 13.693 ( -2.201 0.000 -23.520) 23.623 14.316 ( 4.758 0.000 5.016) 6.914 14.444 ( -0.780 0.000 1.768) 1.932 14.591 ( 3.267 0.000 -2.260) 3.972 14.668 ( -16.583 0.000 -10.726) 19.750 14.729 ( -11.913 0.000 1.830) 12.052 14.942 ( 23.949 0.000 -8.870) 25.539 15.184 ( 6.121 0.000 0.627) 6.153 15.233 ( -8.892 0.000 -1.823) 9.077 15.679 ( -13.254 0.000 4.935) 14.143 15.697 ( 39.858 0.000 3.999) 40.058 16.142 ( -19.350 0.000 0.092) 19.351 16.392 ( 0.375 0.000 -9.355) 9.362 16.544 ( -2.681 0.000 -1.458) 3.052 16.665 ( 8.314 0.000 1.180) 8.398 16.743 ( 2.688 0.000 2.519) 3.684 17.087 ( 1.263 0.000 0.648) 1.419 17.156 ( -3.356 0.000 3.527) 4.869 17.365 ( -2.059 0.000 -0.565) 2.135 17.780 ( 2.827 0.000 17.391) 17.620 17.904 ( -0.556 0.000 1.559) 1.655 17.963 ( -2.292 0.000 1.869) 2.958 18.405 ( -5.611 0.000 -7.961) 9.740 18.547 ( -8.019 0.000 -0.499) 8.035 18.558 ( 4.557 0.000 -2.604) 5.249 18.776 ( 6.980 0.000 6.056) 9.241 19.050 ( -2.680 0.000 -6.464) 6.998 21.686 ( -0.170 0.000 4.131) 4.134 21.866 ( -0.343 0.000 -4.558) 4.571 22.405 ( -1.496 0.000 5.762) 5.953 22.604 ( 0.952 0.000 -3.825) 3.942 27.261 ( 0.773 0.000 0.638) 1.003 27.283 ( -0.622 0.000 -0.466) 0.777 27.841 ( 10.665 0.000 0.946) 10.707 27.888 ( -11.415 0.000 -1.264) 11.485 29.851 ( 1.000 0.000 2.019) 2.253 29.917 ( -2.075 0.000 -1.256) 2.426 30.021 ( 4.385 0.000 2.603) 5.099 30.120 ( -2.806 0.000 -2.051) 3.476 30.793 ( -1.112 0.000 3.434) 3.609 30.944 ( 1.452 0.000 -3.767) 4.038 31.662 ( -1.804 0.000 1.759) 2.520 31.728 ( 2.717 0.000 -1.509) 3.108 32.166 ( -1.415 0.000 -0.366) 1.461 32.177 ( -1.498 0.000 -1.133) 1.878 32.404 ( -5.038 0.000 11.661) 12.703 32.640 ( 1.959 0.000 3.366) 3.895 32.959 ( 3.157 0.000 9.839) 10.333 33.266 ( 2.388 0.000 -9.714) 10.003 33.716 ( 5.989 0.000 5.213) 7.940 33.732 ( -6.800 0.000 -3.440) 7.620 34.093 ( 1.959 0.000 -3.844) 4.314 34.385 ( -9.735 0.000 -10.198) 14.099 34.563 ( -2.166 0.000 2.354) 3.199 34.660 ( 10.683 0.000 -5.483) 12.008 36.126 ( 7.348 0.000 18.031) 19.471 36.774 ( -1.665 0.000 -14.379) 14.476 37.275 ( 7.983 0.000 0.798) 8.023 37.292 ( -13.444 0.000 -0.455) 13.452 ======================= Grid point 99 (46/88) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 29.036 0.000 23.342) 37.255 2.341 ( 8.581 0.000 35.707) 36.724 2.506 ( -0.940 0.000 -0.068) 0.942 2.609 ( -1.300 0.000 -0.481) 1.386 2.763 ( -0.583 0.000 -2.417) 2.487 2.906 ( 2.156 0.000 6.761) 7.097 3.107 ( 23.717 0.000 -30.707) 38.799 3.199 ( 2.413 0.000 -12.271) 12.506 3.541 ( 4.319 0.000 3.153) 5.347 3.576 ( 11.049 0.000 35.851) 37.515 3.761 ( -8.321 0.000 18.227) 20.037 3.921 ( -9.665 0.000 -10.469) 14.249 4.190 ( 16.497 0.000 -0.844) 16.518 4.329 ( -5.779 0.000 -15.358) 16.410 4.593 ( 1.236 0.000 9.045) 9.129 4.659 ( -7.619 0.000 -1.331) 7.735 4.917 ( 11.852 0.000 2.794) 12.176 5.022 ( 5.440 0.000 -7.874) 9.570 5.045 ( -10.448 0.000 5.269) 11.702 5.157 ( -0.405 0.000 4.480) 4.499 5.189 ( 10.343 0.000 3.028) 10.777 5.330 ( -11.573 0.000 -6.905) 13.477 5.395 ( 3.246 0.000 -10.257) 10.758 5.459 ( 5.450 0.000 11.248) 12.499 5.747 ( 6.014 0.000 4.653) 7.604 5.960 ( -12.196 0.000 -18.242) 21.943 5.967 ( 9.109 0.000 6.752) 11.338 6.149 ( -3.938 0.000 -22.662) 23.002 6.281 ( 9.879 0.000 7.840) 12.612 6.381 ( 1.682 0.000 -4.173) 4.499 6.423 ( 1.210 0.000 8.376) 8.463 6.673 ( -7.352 0.000 8.683) 11.377 6.726 ( -17.322 0.000 5.835) 18.278 6.973 ( 13.782 0.000 -16.140) 21.224 7.217 ( -0.270 0.000 5.299) 5.306 7.399 ( -1.304 0.000 -1.698) 2.141 7.469 ( -1.851 0.000 7.849) 8.064 7.539 ( 12.057 0.000 -5.124) 13.101 7.807 ( 8.149 0.000 -14.161) 16.339 7.817 ( 5.989 0.000 4.693) 7.609 8.015 ( -7.066 0.000 -7.593) 10.372 8.290 ( -5.044 0.000 9.967) 11.171 8.317 ( 0.680 0.000 0.896) 1.125 8.362 ( 1.281 0.000 5.743) 5.884 8.514 ( -0.132 0.000 -4.818) 4.820 9.000 ( 4.206 0.000 3.122) 5.238 9.179 ( 8.686 0.000 -6.936) 11.116 9.223 ( 0.309 0.000 -4.164) 4.176 9.382 ( -9.210 0.000 2.695) 9.597 9.572 ( -1.749 0.000 0.785) 1.917 9.722 ( -0.675 0.000 5.115) 5.159 9.835 ( -2.145 0.000 2.183) 3.061 9.981 ( 0.616 0.000 -0.068) 0.620 10.208 ( -2.409 0.000 -11.226) 11.482 10.293 ( -4.604 0.000 -3.068) 5.533 10.367 ( -1.501 0.000 2.694) 3.084 10.783 ( -10.605 0.000 -4.639) 11.575 10.974 ( -0.216 0.000 2.748) 2.757 11.046 ( -2.978 0.000 7.956) 8.495 11.256 ( -1.184 0.000 4.281) 4.442 11.374 ( -0.539 0.000 3.889) 3.926 11.398 ( 2.083 0.000 0.648) 2.181 11.807 ( -10.664 0.000 -5.187) 11.858 11.827 ( -6.306 0.000 8.961) 10.957 12.319 ( -3.076 0.000 -0.529) 3.121 12.409 ( 4.807 0.000 3.521) 5.959 12.596 ( -20.506 0.000 -3.322) 20.773 12.744 ( -2.466 0.000 15.583) 15.777 12.891 ( -3.044 0.000 6.376) 7.065 12.999 ( -10.806 0.000 -13.952) 17.648 13.203 ( 4.482 0.000 -3.449) 5.655 13.225 ( -1.092 0.000 -2.613) 2.832 13.336 ( 1.827 0.000 1.200) 2.186 13.498 ( -2.192 0.000 -14.698) 14.861 14.275 ( -11.074 0.000 6.237) 12.710 14.383 ( -12.909 0.000 -2.450) 13.140 14.449 ( -8.914 0.000 5.214) 10.327 14.496 ( 0.086 0.000 1.593) 1.596 14.638 ( 5.198 0.000 -5.744) 7.747 15.035 ( 0.138 0.000 -6.442) 6.443 15.260 ( 11.481 0.000 -5.371) 12.675 15.370 ( 4.335 0.000 3.362) 5.486 15.523 ( 9.415 0.000 -1.732) 9.573 15.983 ( -4.384 0.000 9.582) 10.538 16.204 ( 6.269 0.000 -6.669) 9.153 16.425 ( 0.470 0.000 2.428) 2.473 16.657 ( 1.208 0.000 -5.585) 5.715 16.685 ( 17.242 0.000 -3.449) 17.584 16.939 ( 3.662 0.000 5.559) 6.657 16.998 ( 4.723 0.000 -10.390) 11.413 17.267 ( 2.204 0.000 9.325) 9.582 17.373 ( 4.617 0.000 -1.056) 4.736 17.869 ( -3.345 0.000 1.260) 3.574 17.910 ( 0.149 0.000 -0.704) 0.720 18.076 ( 9.791 0.000 17.380) 19.948 18.188 ( -7.615 0.000 -9.569) 12.229 18.513 ( 0.789 0.000 -7.624) 7.665 18.656 ( 3.018 0.000 5.159) 5.977 18.952 ( -0.591 0.000 -8.153) 8.174 19.020 ( 12.808 0.000 3.692) 13.330 21.684 ( -3.379 0.000 4.338) 5.499 21.786 ( -4.207 0.000 -4.190) 5.938 22.338 ( -8.004 0.000 5.677) 9.813 22.501 ( -7.267 0.000 -4.672) 8.639 27.360 ( 7.513 0.000 2.800) 8.018 27.488 ( 17.074 0.000 -7.380) 18.601 27.728 ( -2.699 0.000 -2.211) 3.489 28.194 ( 22.233 0.000 1.460) 22.281 29.890 ( 0.005 0.000 -1.033) 1.033 29.905 ( 2.466 0.000 2.349) 3.405 30.076 ( 0.505 0.000 -2.988) 3.030 30.164 ( 7.808 0.000 1.878) 8.030 30.800 ( -0.860 0.000 3.303) 3.413 30.939 ( 1.115 0.000 -3.767) 3.928 31.621 ( -3.098 0.000 0.698) 3.176 31.743 ( -0.127 0.000 -1.353) 1.359 32.156 ( -0.243 0.000 1.540) 1.559 32.176 ( 1.896 0.000 -0.029) 1.896 32.418 ( -3.597 0.000 13.270) 13.749 32.701 ( 2.626 0.000 0.344) 2.648 33.070 ( 1.512 0.000 2.703) 3.097 33.209 ( -0.464 0.000 -9.887) 9.898 33.606 ( -3.678 0.000 0.164) 3.681 33.900 ( 9.015 0.000 3.756) 9.766 34.134 ( 1.643 0.000 1.395) 2.155 34.150 ( -6.666 0.000 -6.720) 9.465 34.545 ( -0.485 0.000 0.797) 0.933 34.743 ( 3.793 0.000 -6.199) 7.267 36.350 ( 3.223 0.000 12.564) 12.971 36.594 ( -4.060 0.000 -15.765) 16.280 36.890 ( -25.834 0.000 7.923) 27.022 37.349 ( -1.089 0.000 0.291) 1.128 ======================= Grid point 100 (47/88) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -3.987 0.000 -0.662) 4.041 2.458 ( 0.691 0.000 -4.535) 4.588 2.691 ( 3.623 0.000 7.642) 8.458 2.699 ( 1.628 0.000 -0.204) 1.641 2.950 ( 19.273 0.000 6.226) 20.253 3.039 ( 0.389 0.000 11.631) 11.638 3.208 ( 7.801 0.000 -16.756) 18.483 3.210 ( 6.062 0.000 4.144) 7.343 3.693 ( -4.342 0.000 4.439) 6.209 3.697 ( -4.971 0.000 -0.067) 4.971 3.765 ( 10.625 0.000 3.229) 11.105 3.821 ( -5.459 0.000 6.365) 8.385 4.317 ( -0.381 0.000 -10.213) 10.220 4.419 ( 6.702 0.000 -3.191) 7.423 4.566 ( 18.437 0.000 -4.703) 19.027 4.698 ( -7.711 0.000 9.465) 12.209 4.850 ( 2.391 0.000 1.442) 2.793 4.931 ( 3.403 0.000 -21.032) 21.306 5.131 ( 0.397 0.000 -8.142) 8.151 5.179 ( 0.878 0.000 7.588) 7.639 5.261 ( 6.798 0.000 11.813) 13.630 5.421 ( 4.445 0.000 -4.539) 6.353 5.569 ( 1.056 0.000 1.477) 1.816 5.639 ( -2.564 0.000 -8.648) 9.020 5.748 ( -2.499 0.000 -3.566) 4.354 5.760 ( 7.813 0.000 6.869) 10.403 5.865 ( 4.664 0.000 9.444) 10.533 6.138 ( -0.048 0.000 6.515) 6.515 6.369 ( 1.260 0.000 -8.195) 8.291 6.460 ( -3.063 0.000 2.397) 3.890 6.586 ( 2.679 0.000 2.563) 3.707 6.654 ( 6.863 0.000 -5.228) 8.628 6.713 ( 11.519 0.000 14.512) 18.528 7.092 ( 8.719 0.000 -4.633) 9.873 7.325 ( -5.171 0.000 6.660) 8.432 7.340 ( 5.980 0.000 4.935) 7.753 7.457 ( -9.206 0.000 11.362) 14.623 7.682 ( 6.431 0.000 -9.718) 11.653 7.779 ( -2.340 0.000 -2.281) 3.268 7.855 ( 7.748 0.000 -11.923) 14.219 7.884 ( -7.195 0.000 7.784) 10.600 8.269 ( -4.859 0.000 8.229) 9.556 8.396 ( 2.423 0.000 10.702) 10.973 8.442 ( -2.486 0.000 -7.269) 7.682 8.613 ( 14.356 0.000 3.260) 14.721 9.082 ( 0.388 0.000 3.178) 3.202 9.091 ( -14.504 0.000 -4.211) 15.103 9.227 ( 0.807 0.000 -6.034) 6.088 9.242 ( 0.618 0.000 -0.896) 1.089 9.499 ( -2.316 0.000 -9.751) 10.022 9.764 ( -0.704 0.000 4.758) 4.810 9.800 ( -4.561 0.000 6.033) 7.563 9.999 ( 1.551 0.000 0.341) 1.588 10.040 ( -6.412 0.000 -4.122) 7.623 10.215 ( 2.412 0.000 -9.593) 9.892 10.311 ( -5.284 0.000 1.882) 5.609 10.573 ( -7.058 0.000 -3.267) 7.777 10.848 ( -10.541 0.000 -1.440) 10.639 11.089 ( -0.462 0.000 2.965) 3.001 11.215 ( -4.510 0.000 0.918) 4.602 11.404 ( -2.806 0.000 3.057) 4.149 11.424 ( 6.478 0.000 -0.639) 6.509 11.598 ( -8.170 0.000 2.103) 8.436 11.710 ( -9.035 0.000 7.001) 11.430 12.200 ( -6.432 0.000 -7.391) 9.798 12.211 ( -7.814 0.000 -14.724) 16.668 12.532 ( -1.427 0.000 7.786) 7.915 12.553 ( -20.489 0.000 6.552) 21.511 12.724 ( -4.466 0.000 -11.614) 12.443 12.912 ( -3.330 0.000 5.999) 6.861 13.182 ( -1.301 0.000 -1.744) 2.175 13.239 ( 0.505 0.000 -8.277) 8.292 13.407 ( 1.710 0.000 -1.847) 2.517 13.474 ( 7.128 0.000 9.874) 12.178 13.979 ( -12.610 0.000 -9.308) 15.673 14.201 ( -3.876 0.000 8.496) 9.338 14.402 ( -5.114 0.000 7.849) 9.368 14.568 ( 6.219 0.000 -0.351) 6.229 14.701 ( 6.471 0.000 -7.926) 10.232 14.949 ( -4.443 0.000 -4.349) 6.217 15.496 ( 13.854 0.000 -0.888) 13.882 15.499 ( 6.788 0.000 2.773) 7.333 15.846 ( 15.832 0.000 1.922) 15.948 16.018 ( -2.362 0.000 12.828) 13.043 16.232 ( 3.062 0.000 -4.498) 5.441 16.409 ( -2.473 0.000 -1.366) 2.826 16.669 ( 2.400 0.000 -0.390) 2.431 16.736 ( 0.482 0.000 -7.813) 7.828 16.975 ( -0.347 0.000 2.197) 2.225 17.175 ( 6.880 0.000 -0.318) 6.887 17.354 ( 1.001 0.000 4.652) 4.759 17.475 ( 5.540 0.000 -4.035) 6.854 17.827 ( -2.332 0.000 2.093) 3.133 17.976 ( 7.907 0.000 -2.549) 8.308 17.987 ( -4.637 0.000 -7.041) 8.431 18.322 ( 0.836 0.000 -2.826) 2.947 18.439 ( 1.394 0.000 1.506) 2.052 18.706 ( -3.016 0.000 5.891) 6.618 18.936 ( 5.212 0.000 -3.293) 6.165 19.305 ( 10.649 0.000 4.971) 11.752 21.625 ( -5.674 0.000 3.718) 6.784 21.656 ( -5.259 0.000 -3.123) 6.116 22.233 ( -5.888 0.000 4.257) 7.265 22.309 ( -6.432 0.000 -4.641) 7.932 27.537 ( 2.871 0.000 6.415) 7.028 27.720 ( 13.186 0.000 -9.976) 16.534 27.801 ( 10.213 0.000 6.301) 12.001 28.638 ( 21.031 0.000 -1.637) 21.094 29.892 ( 0.740 0.000 -0.862) 1.136 29.956 ( 0.615 0.000 0.410) 0.739 30.108 ( 4.465 0.000 -0.523) 4.495 30.329 ( 7.049 0.000 0.281) 7.054 30.811 ( -0.617 0.000 2.973) 3.037 30.935 ( 1.382 0.000 -3.288) 3.566 31.565 ( -2.546 0.000 0.239) 2.557 31.707 ( -2.135 0.000 -1.567) 2.648 32.173 ( -0.416 0.000 4.281) 4.302 32.245 ( 4.160 0.000 1.474) 4.414 32.463 ( -2.493 0.000 12.782) 13.022 32.736 ( 1.553 0.000 -3.693) 4.006 33.028 ( -3.529 0.000 -6.025) 6.982 33.118 ( -0.004 0.000 -8.727) 8.727 33.582 ( -1.796 0.000 2.109) 2.770 34.048 ( -0.439 0.000 0.537) 0.693 34.102 ( -5.056 0.000 -3.372) 6.077 34.108 ( 8.162 0.000 3.448) 8.860 34.586 ( 3.250 0.000 2.622) 4.176 34.747 ( 1.370 0.000 -4.426) 4.633 36.399 ( -1.704 0.000 -15.888) 15.979 36.428 ( -12.631 0.000 9.500) 15.805 36.522 ( -9.388 0.000 10.977) 14.444 37.257 ( -5.858 0.000 -3.635) 6.894 ======================= Grid point 101 (48/88) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -1.943 0.000 -2.301) 3.012 2.429 ( -0.238 0.000 -2.292) 2.304 2.696 ( -0.654 0.000 -2.356) 2.445 2.701 ( -3.530 0.000 -1.478) 3.827 3.001 ( -0.137 0.000 -11.374) 11.375 3.019 ( -4.984 0.000 -10.483) 11.607 3.290 ( 1.999 0.000 5.250) 5.618 3.390 ( -12.353 0.000 24.558) 27.490 3.549 ( -11.470 0.000 13.580) 17.776 3.635 ( -4.759 0.000 6.980) 8.448 3.892 ( 20.539 0.000 -7.093) 21.730 4.127 ( 6.600 0.000 6.677) 9.389 4.179 ( 2.517 0.000 1.279) 2.824 4.252 ( -14.280 0.000 -3.573) 14.720 4.724 ( 7.171 0.000 -5.177) 8.844 4.749 ( 8.340 0.000 -22.054) 23.578 4.902 ( -0.513 0.000 -1.276) 1.375 4.993 ( 1.685 0.000 -3.704) 4.069 5.156 ( -3.826 0.000 -0.308) 3.838 5.228 ( -3.006 0.000 -6.843) 7.474 5.373 ( -5.466 0.000 7.335) 9.148 5.390 ( 26.452 0.000 -5.127) 26.944 5.540 ( 9.304 0.000 -9.561) 13.341 5.718 ( -4.733 0.000 -0.286) 4.742 5.879 ( 13.662 0.000 7.218) 15.451 5.939 ( -0.068 0.000 6.031) 6.032 6.035 ( -5.106 0.000 17.640) 18.364 6.197 ( 1.624 0.000 12.809) 12.912 6.296 ( -9.527 0.000 2.651) 9.888 6.345 ( 5.730 0.000 -12.623) 13.862 6.622 ( 2.185 0.000 -2.038) 2.988 6.780 ( 9.135 0.000 -6.758) 11.363 7.006 ( -2.734 0.000 9.597) 9.979 7.225 ( -9.439 0.000 0.244) 9.442 7.269 ( 9.921 0.000 -0.626) 9.940 7.434 ( 0.951 0.000 20.307) 20.329 7.474 ( 1.887 0.000 4.903) 5.254 7.652 ( 4.048 0.000 -13.958) 14.533 7.721 ( -4.762 0.000 3.399) 5.851 7.936 ( 6.093 0.000 -3.328) 6.943 7.959 ( 6.328 0.000 14.067) 15.425 8.236 ( -2.993 0.000 5.170) 5.973 8.294 ( -5.870 0.000 -8.914) 10.673 8.539 ( 2.140 0.000 10.855) 11.064 8.810 ( -8.955 0.000 1.037) 9.015 8.866 ( 9.056 0.000 3.223) 9.612 9.034 ( -5.528 0.000 -1.880) 5.840 9.144 ( -3.841 0.000 -4.312) 5.775 9.276 ( 2.249 0.000 -2.424) 3.306 9.320 ( -5.058 0.000 -13.661) 14.568 9.712 ( -8.842 0.000 8.981) 12.604 9.773 ( -1.876 0.000 1.887) 2.661 9.998 ( 8.949 0.000 -10.929) 14.125 10.052 ( 2.734 0.000 1.198) 2.985 10.216 ( -5.246 0.000 1.415) 5.433 10.227 ( 2.457 0.000 -4.092) 4.773 10.472 ( 0.869 0.000 -3.692) 3.793 10.572 ( -10.467 0.000 -9.228) 13.954 11.141 ( -4.508 0.000 4.085) 6.083 11.143 ( 4.400 0.000 2.159) 4.901 11.352 ( -2.658 0.000 2.333) 3.537 11.500 ( -6.722 0.000 9.160) 11.362 11.594 ( 8.643 0.000 -0.907) 8.690 11.675 ( 1.572 0.000 2.171) 2.680 11.913 ( -13.178 0.000 -12.482) 18.151 11.978 ( -4.337 0.000 -15.567) 16.160 12.245 ( -11.137 0.000 3.314) 11.619 12.458 ( -8.267 0.000 3.369) 8.927 12.683 ( 3.820 0.000 -4.082) 5.591 12.856 ( -4.322 0.000 1.440) 4.555 13.122 ( -3.804 0.000 -7.532) 8.438 13.162 ( 1.667 0.000 -3.515) 3.890 13.491 ( 4.158 0.000 2.674) 4.943 13.652 ( 0.953 0.000 2.795) 2.953 13.857 ( 3.413 0.000 5.694) 6.638 14.225 ( 0.549 0.000 4.648) 4.681 14.384 ( -3.397 0.000 9.415) 10.009 14.703 ( 8.339 0.000 -4.035) 9.264 14.764 ( 5.956 0.000 -7.539) 9.608 14.800 ( -7.396 0.000 -2.379) 7.769 15.648 ( 5.960 0.000 3.542) 6.933 15.742 ( 7.882 0.000 4.170) 8.917 16.032 ( -1.705 0.000 6.216) 6.445 16.050 ( -2.107 0.000 3.569) 4.145 16.262 ( 2.353 0.000 -7.383) 7.749 16.303 ( -1.126 0.000 -7.868) 7.948 16.724 ( 1.676 0.000 -1.029) 1.966 16.739 ( 3.089 0.000 3.628) 4.765 17.033 ( 3.842 0.000 4.754) 6.112 17.192 ( -4.065 0.000 3.044) 5.078 17.353 ( -2.735 0.000 -0.434) 2.769 17.520 ( 4.138 0.000 -7.576) 8.633 17.767 ( -3.170 0.000 0.515) 3.211 17.955 ( 2.548 0.000 0.350) 2.572 18.062 ( -0.487 0.000 -4.493) 4.520 18.200 ( -3.474 0.000 -9.064) 9.707 18.526 ( 6.734 0.000 -0.263) 6.739 18.629 ( -7.883 0.000 3.048) 8.452 19.141 ( 12.017 0.000 6.599) 13.710 19.445 ( -0.201 0.000 2.460) 2.468 21.534 ( -4.924 0.000 1.908) 5.281 21.563 ( -1.222 0.000 -1.996) 2.341 22.185 ( -1.780 0.000 2.579) 3.134 22.225 ( 0.666 0.000 -2.163) 2.263 27.583 ( -1.546 0.000 4.990) 5.224 27.847 ( 7.486 0.000 -10.002) 12.493 28.123 ( 8.841 0.000 18.294) 20.318 28.965 ( 14.819 0.000 -6.769) 16.292 29.899 ( 0.482 0.000 -0.613) 0.779 29.937 ( -1.613 0.000 -1.353) 2.105 30.218 ( 4.800 0.000 2.508) 5.415 30.414 ( 1.705 0.000 -2.081) 2.690 30.820 ( -0.852 0.000 2.772) 2.900 30.943 ( 1.813 0.000 -2.953) 3.465 31.540 ( -0.127 0.000 0.737) 0.748 31.648 ( -1.994 0.000 -2.036) 2.850 32.203 ( -1.038 0.000 6.623) 6.703 32.344 ( 3.591 0.000 2.921) 4.629 32.515 ( -1.625 0.000 10.206) 10.334 32.677 ( -2.605 0.000 -8.058) 8.469 32.895 ( -5.210 0.000 -2.616) 5.830 33.115 ( 4.983 0.000 -4.572) 6.763 33.518 ( -3.824 0.000 -2.383) 4.506 33.891 ( -9.581 0.000 -9.303) 13.355 34.114 ( 1.955 0.000 6.859) 7.132 34.260 ( 5.384 0.000 -0.363) 5.396 34.663 ( 0.669 0.000 3.773) 3.832 34.749 ( 2.244 0.000 -2.613) 3.444 36.129 ( -18.019 0.000 7.865) 19.660 36.328 ( 6.764 0.000 -12.682) 14.373 36.583 ( 0.783 0.000 10.371) 10.401 37.106 ( -4.049 0.000 -7.420) 8.453 ======================= Grid point 102 (49/88) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -10.124 0.000 2.867) 10.522 2.302 ( -16.286 0.000 0.124) 16.286 2.590 ( -3.095 0.000 -0.256) 3.106 2.657 ( -0.237 0.000 -0.805) 0.839 2.754 ( -8.601 0.000 -1.526) 8.735 2.855 ( -9.393 0.000 -1.079) 9.455 3.306 ( -3.117 0.000 12.504) 12.887 3.350 ( -9.693 0.000 14.477) 17.422 3.564 ( -11.291 0.000 13.495) 17.596 3.654 ( 9.417 0.000 6.361) 11.364 3.951 ( -5.674 0.000 -7.246) 9.203 4.042 ( -2.382 0.000 -2.137) 3.201 4.213 ( 8.397 0.000 -5.456) 10.014 4.457 ( 7.065 0.000 5.680) 9.065 4.662 ( -8.851 0.000 -11.239) 14.306 4.784 ( 12.536 0.000 -17.471) 21.503 4.852 ( -5.116 0.000 2.688) 5.779 4.953 ( -2.296 0.000 -3.806) 4.444 5.084 ( -13.806 0.000 5.063) 14.706 5.176 ( 3.989 0.000 3.461) 5.281 5.268 ( 3.782 0.000 -5.869) 6.982 5.532 ( -15.551 0.000 -10.679) 18.865 5.592 ( 5.884 0.000 1.622) 6.104 5.621 ( -2.712 0.000 -2.499) 3.688 5.974 ( -9.946 0.000 13.488) 16.758 6.023 ( 2.333 0.000 -2.931) 3.746 6.119 ( -10.011 0.000 2.230) 10.256 6.199 ( 10.845 0.000 0.924) 10.884 6.281 ( -0.571 0.000 8.917) 8.935 6.445 ( 9.055 0.000 -5.399) 10.543 6.619 ( 3.062 0.000 -3.689) 4.794 6.872 ( -9.475 0.000 13.612) 16.586 6.892 ( 7.235 0.000 -3.745) 8.147 7.142 ( -7.516 0.000 7.232) 10.430 7.354 ( 1.633 0.000 -16.210) 16.292 7.445 ( -1.694 0.000 1.467) 2.241 7.475 ( -9.448 0.000 8.146) 12.475 7.766 ( 10.568 0.000 -3.824) 11.239 7.858 ( 12.788 0.000 8.274) 15.232 8.060 ( 9.416 0.000 -8.017) 12.366 8.073 ( -6.706 0.000 8.258) 10.638 8.112 ( -5.956 0.000 2.932) 6.639 8.345 ( 7.771 0.000 8.146) 11.258 8.631 ( 0.113 0.000 6.058) 6.059 8.782 ( 1.268 0.000 7.141) 7.253 8.897 ( -4.927 0.000 -3.207) 5.879 9.010 ( -4.511 0.000 -8.791) 9.881 9.034 ( 4.560 0.000 3.236) 5.592 9.169 ( 0.823 0.000 -10.436) 10.468 9.266 ( 0.320 0.000 -4.073) 4.086 9.692 ( -0.550 0.000 12.957) 12.968 9.748 ( 0.143 0.000 -0.541) 0.559 10.032 ( -2.781 0.000 -7.596) 8.089 10.107 ( 7.050 0.000 -6.707) 9.731 10.178 ( -1.698 0.000 4.187) 4.519 10.280 ( 7.488 0.000 -2.578) 7.919 10.391 ( -0.303 0.000 -4.826) 4.836 10.521 ( 6.784 0.000 -8.694) 11.028 11.101 ( -1.509 0.000 2.484) 2.906 11.242 ( -2.055 0.000 3.728) 4.257 11.394 ( 2.698 0.000 6.995) 7.497 11.412 ( -2.642 0.000 -0.676) 2.727 11.593 ( -3.911 0.000 -1.203) 4.092 11.738 ( -0.863 0.000 -2.370) 2.522 11.810 ( 8.408 0.000 -1.538) 8.548 11.820 ( 3.392 0.000 -8.768) 9.401 12.171 ( -1.126 0.000 6.407) 6.506 12.334 ( -5.953 0.000 4.579) 7.510 12.748 ( 4.668 0.000 -1.345) 4.858 12.777 ( -3.557 0.000 -1.652) 3.922 13.025 ( -1.211 0.000 -0.828) 1.467 13.195 ( 4.436 0.000 -4.096) 6.038 13.576 ( 2.487 0.000 1.442) 2.875 13.616 ( -2.052 0.000 -3.484) 4.043 14.041 ( 5.285 0.000 10.055) 11.360 14.265 ( 1.613 0.000 -2.457) 2.939 14.412 ( -1.347 0.000 8.005) 8.118 14.629 ( -7.363 0.000 -1.302) 7.477 14.821 ( 4.789 0.000 -4.503) 6.573 14.825 ( 8.055 0.000 -8.132) 11.447 15.793 ( 2.122 0.000 5.126) 5.548 15.798 ( -4.642 0.000 0.588) 4.679 15.903 ( -10.100 0.000 3.560) 10.709 16.000 ( -5.941 0.000 5.623) 8.180 16.129 ( -3.250 0.000 -9.781) 10.307 16.380 ( 8.473 0.000 -5.071) 9.874 16.756 ( -0.051 0.000 3.223) 3.223 16.806 ( 1.435 0.000 -0.220) 1.451 17.123 ( -4.839 0.000 3.978) 6.264 17.166 ( 3.221 0.000 6.215) 7.000 17.267 ( -3.595 0.000 -3.284) 4.869 17.514 ( 1.195 0.000 -7.683) 7.775 17.770 ( -0.088 0.000 6.287) 6.287 17.941 ( -6.875 0.000 -7.929) 10.494 18.011 ( -7.445 0.000 -2.554) 7.871 18.037 ( 5.126 0.000 1.449) 5.327 18.476 ( -7.478 0.000 0.248) 7.483 18.729 ( 11.798 0.000 -0.805) 11.826 19.347 ( -8.908 0.000 -2.160) 9.166 19.416 ( 9.407 0.000 4.952) 10.631 21.494 ( -0.031 0.000 1.314) 1.314 21.597 ( 5.961 0.000 -1.178) 6.076 22.188 ( 0.440 0.000 0.288) 0.526 22.275 ( 5.317 0.000 -1.729) 5.591 27.562 ( -4.674 0.000 5.006) 6.848 27.860 ( 1.781 0.000 -9.224) 9.394 28.357 ( -1.095 0.000 18.913) 18.945 29.071 ( 4.963 0.000 -20.481) 21.074 29.888 ( -2.162 0.000 -0.728) 2.281 29.907 ( 0.668 0.000 0.127) 0.680 30.303 ( 0.986 0.000 3.124) 3.276 30.357 ( -4.451 0.000 -4.832) 6.570 30.817 ( -1.653 0.000 2.768) 3.224 30.952 ( 1.444 0.000 -3.510) 3.795 31.568 ( 1.752 0.000 1.507) 2.311 31.609 ( 0.087 0.000 -2.367) 2.369 32.232 ( -1.979 0.000 8.038) 8.278 32.407 ( -0.071 0.000 1.644) 1.645 32.545 ( -0.902 0.000 2.180) 2.359 32.553 ( -2.828 0.000 -5.558) 6.236 32.821 ( -4.330 0.000 8.277) 9.341 33.214 ( 7.507 0.000 -3.725) 8.380 33.460 ( -0.433 0.000 5.117) 5.135 33.635 ( -6.963 0.000 -10.965) 12.989 34.159 ( -3.202 0.000 5.926) 6.735 34.304 ( 0.094 0.000 -2.439) 2.441 34.661 ( -2.700 0.000 2.424) 3.629 34.800 ( 4.341 0.000 -2.520) 5.020 35.864 ( -14.564 0.000 7.317) 16.299 36.464 ( 14.559 0.000 -8.221) 16.720 36.710 ( 3.786 0.000 11.910) 12.497 36.999 ( 0.075 0.000 -9.648) 9.648 ======================= Grid point 103 (50/88) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -26.544 0.000 18.965) 32.622 1.935 ( -23.463 0.000 21.431) 31.778 2.629 ( 1.599 0.000 -0.048) 1.600 2.632 ( -2.621 0.000 -1.505) 3.022 2.704 ( -4.281 0.000 4.241) 6.027 2.721 ( 2.463 0.000 1.462) 2.865 3.079 ( -27.963 0.000 17.443) 32.957 3.263 ( -10.373 0.000 2.418) 10.651 3.520 ( -15.587 0.000 22.378) 27.272 3.782 ( -16.242 0.000 7.861) 18.045 3.799 ( 10.196 0.000 -4.071) 10.979 4.112 ( -11.023 0.000 -6.818) 12.961 4.120 ( 17.984 0.000 6.146) 19.006 4.422 ( -3.404 0.000 -15.404) 15.776 4.472 ( -7.125 0.000 -4.259) 8.301 4.754 ( -7.431 0.000 -6.081) 9.602 4.871 ( -3.994 0.000 4.920) 6.337 5.010 ( -1.057 0.000 -17.211) 17.243 5.051 ( 14.058 0.000 0.663) 14.074 5.076 ( -1.755 0.000 9.744) 9.901 5.142 ( -5.163 0.000 -10.379) 11.592 5.356 ( 8.173 0.000 1.106) 8.247 5.468 ( -7.898 0.000 -3.395) 8.597 5.796 ( 7.332 0.000 2.234) 7.665 5.884 ( -8.879 0.000 13.036) 15.772 5.965 ( -2.508 0.000 -7.683) 8.082 5.978 ( -6.944 0.000 0.188) 6.947 6.185 ( -12.039 0.000 6.988) 13.920 6.358 ( 3.482 0.000 -5.357) 6.390 6.607 ( -0.754 0.000 -2.983) 3.077 6.613 ( 11.059 0.000 -2.711) 11.386 6.868 ( -1.328 0.000 10.203) 10.290 6.961 ( -0.760 0.000 1.493) 1.675 7.054 ( -6.173 0.000 7.587) 9.781 7.155 ( -6.463 0.000 -19.447) 20.493 7.376 ( -5.146 0.000 7.996) 9.509 7.434 ( 3.365 0.000 -10.980) 11.484 7.865 ( 1.880 0.000 -4.513) 4.889 7.911 ( -8.125 0.000 -5.088) 9.587 7.980 ( -5.183 0.000 -2.197) 5.630 8.165 ( 7.396 0.000 9.108) 11.733 8.287 ( 10.055 0.000 -1.515) 10.168 8.493 ( 0.242 0.000 6.913) 6.917 8.621 ( -2.319 0.000 -3.556) 4.245 8.815 ( -2.883 0.000 2.919) 4.103 8.851 ( -5.537 0.000 10.012) 11.441 8.867 ( 1.974 0.000 -15.552) 15.676 9.087 ( 0.645 0.000 5.896) 5.931 9.213 ( 8.489 0.000 -2.187) 8.766 9.287 ( 4.195 0.000 -3.186) 5.268 9.829 ( 7.343 0.000 0.380) 7.353 9.837 ( 2.693 0.000 11.624) 11.932 9.939 ( 0.589 0.000 -5.762) 5.792 10.130 ( -3.561 0.000 -0.612) 3.614 10.177 ( 6.912 0.000 -10.446) 12.526 10.456 ( 5.807 0.000 1.670) 6.043 10.480 ( 11.318 0.000 6.710) 13.157 10.555 ( 5.451 0.000 -13.671) 14.717 11.128 ( 2.382 0.000 -0.081) 2.383 11.130 ( -5.606 0.000 4.288) 7.058 11.378 ( -4.838 0.000 2.747) 5.563 11.428 ( -6.420 0.000 2.368) 6.842 11.700 ( 11.295 0.000 3.591) 11.852 11.746 ( 5.993 0.000 6.473) 8.821 11.877 ( 3.539 0.000 -6.926) 7.778 11.995 ( 10.868 0.000 -1.355) 10.952 12.257 ( 2.596 0.000 9.918) 10.252 12.453 ( 14.084 0.000 18.834) 23.517 12.697 ( -2.820 0.000 -1.667) 3.276 12.825 ( 2.385 0.000 5.364) 5.871 13.117 ( 9.682 0.000 2.428) 9.981 13.258 ( 5.134 0.000 -4.758) 7.000 13.526 ( -3.423 0.000 -5.761) 6.702 13.611 ( 0.639 0.000 0.478) 0.798 14.193 ( 3.756 0.000 5.181) 6.399 14.208 ( -1.720 0.000 -13.050) 13.163 14.437 ( -0.861 0.000 5.011) 5.084 14.506 ( -4.469 0.000 0.167) 4.472 14.881 ( 3.175 0.000 -1.439) 3.486 14.889 ( 6.766 0.000 -13.041) 14.692 15.537 ( -17.651 0.000 -0.886) 17.674 15.636 ( -8.062 0.000 -4.129) 9.058 15.909 ( -8.352 0.000 8.296) 11.772 15.970 ( -7.953 0.000 -6.550) 10.303 16.052 ( 8.560 0.000 11.784) 14.565 16.483 ( 5.652 0.000 -7.368) 9.286 16.746 ( -3.554 0.000 2.039) 4.098 16.787 ( -1.184 0.000 -5.090) 5.225 17.065 ( -4.087 0.000 2.508) 4.795 17.152 ( -11.366 0.000 3.425) 11.870 17.199 ( -0.412 0.000 -2.041) 2.083 17.455 ( -2.267 0.000 -1.650) 2.804 17.731 ( -8.382 0.000 3.465) 9.070 17.815 ( 0.241 0.000 4.973) 4.979 17.920 ( -1.723 0.000 -1.769) 2.470 18.197 ( 10.122 0.000 0.923) 10.164 18.401 ( -0.151 0.000 0.904) 0.917 18.918 ( 8.295 0.000 -3.899) 9.165 19.101 ( -12.167 0.000 -5.231) 13.243 19.519 ( -1.737 0.000 -4.069) 4.424 21.545 ( 3.212 0.000 2.106) 3.841 21.758 ( 10.104 0.000 -1.920) 10.285 22.198 ( 1.250 0.000 -0.611) 1.391 22.394 ( 8.322 0.000 -3.022) 8.854 27.478 ( -7.112 0.000 3.846) 8.086 27.792 ( -1.269 0.000 -7.401) 7.509 28.360 ( -10.810 0.000 12.250) 16.338 28.735 ( -17.123 0.000 -41.505) 44.898 29.849 ( -1.657 0.000 0.668) 1.787 29.926 ( 0.727 0.000 0.674) 0.991 30.183 ( -8.281 0.000 -4.795) 9.569 30.295 ( -3.642 0.000 1.929) 4.121 30.802 ( -1.929 0.000 2.923) 3.502 30.944 ( 0.985 0.000 -3.708) 3.836 31.619 ( 2.745 0.000 -2.298) 3.580 31.620 ( 1.713 0.000 2.205) 2.792 32.245 ( -3.186 0.000 7.458) 8.110 32.346 ( -4.037 0.000 -3.150) 5.120 32.508 ( -2.442 0.000 -2.253) 3.322 32.525 ( 0.233 0.000 2.730) 2.740 32.809 ( -3.926 0.000 8.295) 9.177 33.311 ( 6.232 0.000 -10.662) 12.350 33.493 ( -1.082 0.000 -0.565) 1.220 33.697 ( 13.629 0.000 21.586) 25.529 34.099 ( -5.498 0.000 4.845) 7.329 34.238 ( -3.027 0.000 -5.314) 6.116 34.621 ( -2.945 0.000 2.536) 3.886 34.824 ( 0.505 0.000 -7.999) 8.015 35.705 ( -8.449 0.000 14.449) 16.738 36.734 ( 16.977 0.000 -5.185) 17.751 36.941 ( 9.694 0.000 13.809) 16.872 36.947 ( 2.549 0.000 -10.950) 11.243 ======================= Grid point 104 (51/88) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -17.193 0.000 38.659) 42.310 1.710 ( -28.949 0.000 36.431) 46.533 2.502 ( -13.542 0.000 23.284) 26.935 2.554 ( -2.967 0.000 -3.742) 4.775 2.700 ( -7.654 0.000 10.787) 13.226 2.775 ( 2.566 0.000 5.119) 5.726 2.846 ( -2.113 0.000 14.603) 14.755 3.043 ( -5.459 0.000 -10.957) 12.241 3.438 ( -1.197 0.000 16.971) 17.013 3.617 ( -14.923 0.000 -0.034) 14.923 3.898 ( -6.674 0.000 -7.266) 9.866 3.923 ( -4.496 0.000 13.088) 13.839 4.181 ( 3.163 0.000 -26.142) 26.332 4.258 ( -0.138 0.000 2.738) 2.741 4.423 ( 3.388 0.000 -9.075) 9.686 4.740 ( 11.618 0.000 11.550) 16.382 4.876 ( 5.414 0.000 -1.868) 5.727 4.982 ( -4.758 0.000 -7.146) 8.585 5.066 ( 3.507 0.000 3.608) 5.031 5.134 ( -12.489 0.000 2.193) 12.680 5.179 ( 4.009 0.000 6.632) 7.750 5.409 ( 7.868 0.000 -3.162) 8.480 5.446 ( -5.019 0.000 7.118) 8.710 5.704 ( -13.920 0.000 -5.326) 14.904 5.752 ( -11.891 0.000 -1.542) 11.990 5.924 ( 8.021 0.000 -7.319) 10.858 5.946 ( 3.650 0.000 7.356) 8.212 6.097 ( 2.116 0.000 -6.125) 6.480 6.265 ( -5.305 0.000 -0.109) 5.306 6.678 ( 2.986 0.000 -1.020) 3.156 6.685 ( -8.760 0.000 -11.300) 14.298 6.851 ( -0.541 0.000 -6.649) 6.671 6.873 ( -6.921 0.000 10.048) 12.201 7.018 ( 7.243 0.000 -5.748) 9.247 7.044 ( 6.854 0.000 -5.025) 8.499 7.370 ( -1.079 0.000 -11.377) 11.428 7.397 ( -1.012 0.000 9.453) 9.507 7.682 ( -7.629 0.000 -9.469) 12.160 7.743 ( -15.008 0.000 1.737) 15.108 7.826 ( -1.389 0.000 -12.207) 12.285 8.279 ( -1.237 0.000 5.036) 5.186 8.375 ( 4.351 0.000 -12.136) 12.892 8.472 ( -4.760 0.000 0.942) 4.852 8.535 ( -1.344 0.000 -2.388) 2.740 8.699 ( -15.211 0.000 8.451) 17.401 8.830 ( 4.972 0.000 -5.139) 7.151 8.889 ( 6.677 0.000 -4.237) 7.907 9.183 ( 1.148 0.000 8.972) 9.045 9.347 ( 4.028 0.000 -1.467) 4.286 9.417 ( 9.183 0.000 3.789) 9.934 9.842 ( 0.145 0.000 -5.803) 5.804 9.893 ( -5.034 0.000 5.769) 7.656 10.040 ( -0.848 0.000 -1.905) 2.085 10.119 ( 7.965 0.000 6.839) 10.498 10.232 ( 8.190 0.000 -12.626) 15.050 10.519 ( 0.067 0.000 -8.392) 8.392 10.616 ( 8.456 0.000 2.753) 8.893 10.821 ( 12.832 0.000 13.455) 18.593 11.143 ( -0.014 0.000 9.540) 9.540 11.165 ( 1.560 0.000 -0.337) 1.596 11.287 ( -5.565 0.000 -2.224) 5.993 11.294 ( -6.158 0.000 5.421) 8.204 11.853 ( 1.257 0.000 -2.912) 3.172 11.979 ( 6.563 0.000 11.486) 13.228 11.982 ( 10.631 0.000 6.855) 12.650 12.157 ( 5.642 0.000 -1.065) 5.742 12.423 ( 5.229 0.000 8.288) 9.799 12.681 ( 2.589 0.000 3.703) 4.519 12.829 ( 5.663 0.000 2.171) 6.065 13.214 ( 16.449 0.000 3.564) 16.830 13.311 ( 4.371 0.000 -6.435) 7.779 13.400 ( 13.752 0.000 -1.073) 13.794 13.401 ( -3.776 0.000 -6.401) 7.432 13.763 ( 24.330 0.000 13.485) 27.818 14.039 ( 4.853 0.000 -11.357) 12.351 14.251 ( -0.087 0.000 2.349) 2.351 14.453 ( -0.233 0.000 -0.342) 0.414 14.502 ( 4.331 0.000 2.787) 5.151 14.884 ( -3.512 0.000 0.004) 3.512 14.891 ( 4.125 0.000 -14.355) 14.936 15.227 ( -10.381 0.000 -1.273) 10.458 15.466 ( -5.301 0.000 -2.714) 5.955 15.646 ( -19.465 0.000 -8.974) 21.434 15.812 ( -8.646 0.000 9.741) 13.025 16.350 ( 11.292 0.000 12.782) 17.055 16.472 ( 1.545 0.000 -11.818) 11.919 16.618 ( -17.195 0.000 -4.669) 17.818 16.654 ( -4.335 0.000 -4.178) 6.020 16.847 ( -11.113 0.000 -2.735) 11.445 17.022 ( -1.957 0.000 5.186) 5.542 17.210 ( 0.172 0.000 1.423) 1.433 17.414 ( -2.422 0.000 0.877) 2.576 17.692 ( -3.871 0.000 12.511) 13.096 17.868 ( 2.116 0.000 1.912) 2.852 17.919 ( 2.911 0.000 0.104) 2.913 18.414 ( 8.510 0.000 -0.610) 8.531 18.454 ( 5.250 0.000 1.039) 5.352 18.821 ( -10.843 0.000 -4.336) 11.678 18.923 ( -8.251 0.000 -10.291) 13.190 19.227 ( -16.329 0.000 -7.884) 18.132 21.629 ( 2.673 0.000 3.280) 4.231 21.877 ( 3.842 0.000 -5.519) 6.724 22.288 ( 6.385 0.000 5.035) 8.131 22.536 ( 7.923 0.000 -3.718) 8.752 27.359 ( -6.394 0.000 1.478) 6.562 27.708 ( -9.955 0.000 -12.076) 15.650 27.820 ( -28.701 0.000 -19.540) 34.722 28.155 ( -15.195 0.000 4.166) 15.756 29.834 ( -0.652 0.000 1.550) 1.682 29.948 ( 1.108 0.000 1.112) 1.569 30.010 ( -5.888 0.000 -1.199) 6.009 30.210 ( -5.000 0.000 -0.158) 5.003 30.792 ( -1.515 0.000 3.227) 3.565 30.942 ( 1.551 0.000 -3.425) 3.760 31.660 ( 0.280 0.000 2.456) 2.472 31.672 ( 3.900 0.000 -1.888) 4.333 32.214 ( -3.375 0.000 1.621) 3.744 32.244 ( -3.640 0.000 -2.288) 4.299 32.437 ( -5.091 0.000 5.276) 7.332 32.573 ( 1.326 0.000 4.780) 4.960 32.839 ( 0.243 0.000 9.889) 9.892 33.292 ( 3.345 0.000 -12.632) 13.068 33.571 ( 4.253 0.000 5.977) 7.336 33.888 ( -5.689 0.000 -1.168) 5.808 34.135 ( -1.654 0.000 -6.777) 6.976 34.334 ( 19.671 0.000 11.275) 22.673 34.589 ( -2.594 0.000 2.987) 3.956 34.664 ( -6.989 0.000 -13.956) 15.608 35.818 ( 4.101 0.000 23.849) 24.199 36.879 ( 1.970 0.000 -12.723) 12.875 37.047 ( 14.343 0.000 -1.887) 14.466 37.272 ( 11.695 0.000 6.628) 13.442 ======================= Grid point 105 (52/88) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -3.267 17.065 30.006) 34.673 1.939 ( 0.455 8.534 35.269) 36.289 2.529 ( 0.138 -0.740 -5.823) 5.871 2.658 ( 1.187 1.201 -0.466) 1.752 2.772 ( 2.356 1.525 5.381) 6.069 2.861 ( 0.883 2.219 5.888) 6.354 2.941 ( 9.528 1.991 -19.016) 21.363 3.231 ( 4.960 16.070 32.534) 36.624 3.398 ( -1.745 3.932 -1.648) 4.607 3.644 ( -10.503 4.006 -2.331) 11.480 3.722 ( 1.493 4.489 21.917) 22.422 4.004 ( 6.133 3.145 -7.212) 9.976 4.199 ( -0.985 -3.361 -3.084) 4.667 4.274 ( 3.729 2.214 5.223) 6.789 4.493 ( 12.053 -6.598 5.664) 14.862 4.666 ( -5.992 -9.596 -1.634) 11.431 4.742 ( -7.457 -3.907 -3.893) 9.275 4.938 ( -2.634 -7.057 2.756) 8.021 4.979 ( -3.817 -4.424 -0.725) 5.888 5.084 ( -0.738 -10.708 -0.631) 10.752 5.201 ( -0.736 2.252 -0.657) 2.459 5.276 ( 6.413 1.564 9.701) 11.734 5.525 ( -1.802 -3.120 -2.130) 4.186 5.570 ( -2.801 8.561 -11.512) 14.617 5.729 ( 0.684 0.768 -1.628) 1.926 5.838 ( 8.054 -6.856 -6.574) 12.453 6.028 ( -8.939 4.389 -10.121) 14.199 6.067 ( 2.602 1.003 -10.105) 10.483 6.293 ( -2.630 -5.476 2.025) 6.403 6.398 ( -4.954 5.209 -1.591) 7.362 6.607 ( 0.149 2.914 -1.531) 3.295 6.728 ( -9.395 0.849 1.463) 9.546 6.979 ( 2.723 8.394 -0.738) 8.856 7.129 ( -17.092 -2.356 2.748) 17.472 7.230 ( 6.223 -2.180 -1.990) 6.888 7.255 ( 7.910 -1.712 -1.999) 8.336 7.396 ( -3.036 -1.663 0.049) 3.462 7.519 ( 2.453 4.761 4.772) 7.173 7.616 ( 4.569 2.750 -9.290) 10.712 7.825 ( 7.713 5.715 -13.109) 16.248 8.218 ( -4.493 -0.840 3.127) 5.538 8.260 ( -4.425 -0.849 -3.702) 5.832 8.428 ( -6.864 -0.698 6.090) 9.203 8.514 ( -1.992 6.428 -2.541) 7.193 8.595 ( -4.669 4.850 1.208) 6.839 8.937 ( 6.187 2.070 -1.732) 6.750 9.047 ( 7.004 1.142 0.799) 7.141 9.225 ( -1.458 -1.080 3.545) 3.982 9.354 ( -0.071 -2.441 2.502) 3.496 9.634 ( 2.383 2.239 6.549) 7.320 9.702 ( -2.249 -1.920 2.751) 4.038 9.803 ( -0.006 -5.803 -13.625) 14.809 9.961 ( -0.712 0.982 7.178) 7.279 10.251 ( 0.205 -1.537 3.018) 3.393 10.340 ( -1.466 -1.452 -2.707) 3.404 10.429 ( 4.054 4.915 -11.988) 13.576 10.726 ( 5.947 -6.997 2.604) 9.545 11.000 ( -2.687 -5.707 1.196) 6.420 11.048 ( -2.699 -3.374 9.269) 10.226 11.226 ( 0.017 2.893 3.072) 4.220 11.292 ( 1.250 2.057 0.512) 2.461 11.421 ( 3.936 6.028 8.245) 10.946 11.749 ( 1.379 -7.489 -0.722) 7.649 12.024 ( -3.592 -0.590 -2.876) 4.639 12.194 ( 4.274 -0.995 8.680) 9.726 12.341 ( -0.879 0.896 4.058) 4.248 12.578 ( 4.753 2.336 9.945) 11.268 12.882 ( 2.281 3.906 11.369) 12.236 12.948 ( -2.561 3.002 -1.773) 4.326 13.117 ( 4.502 -9.450 -8.366) 13.400 13.232 ( -2.344 -7.856 4.402) 9.305 13.295 ( -5.763 0.515 -7.414) 9.405 13.413 ( -2.270 4.552 -9.475) 10.754 13.679 ( -2.775 -2.658 -20.606) 20.961 13.890 ( 0.257 -27.037 3.777) 27.301 14.245 ( -1.908 -22.588 -14.647) 26.989 14.606 ( -1.689 5.273 1.716) 5.796 14.666 ( -6.732 3.967 2.236) 8.127 14.867 ( 4.779 3.197 -3.121) 6.542 14.914 ( 10.177 0.904 -2.002) 10.411 15.231 ( 0.184 2.976 0.171) 2.986 15.287 ( -2.672 4.750 -3.151) 6.295 15.511 ( 6.811 -9.534 7.897) 14.129 15.642 ( 0.289 -3.989 3.996) 5.654 16.092 ( -8.982 -2.034 -0.183) 9.211 16.297 ( 1.762 -4.373 -6.894) 8.352 16.378 ( -1.129 -5.583 -2.773) 6.335 16.585 ( 0.147 -4.099 -9.329) 10.191 16.911 ( 7.161 4.998 8.074) 11.893 17.094 ( 1.961 0.893 4.837) 5.295 17.211 ( -5.608 2.673 2.111) 6.561 17.348 ( 3.340 -1.512 1.350) 3.907 17.837 ( 1.716 3.597 13.183) 13.772 18.070 ( 4.324 7.885 3.866) 9.789 18.086 ( -3.965 9.277 0.732) 10.115 18.363 ( -2.568 -3.054 -7.902) 8.852 18.461 ( -5.060 -6.529 -0.898) 8.309 18.572 ( 5.205 0.506 -6.596) 8.417 18.862 ( -3.429 8.268 7.736) 11.830 19.147 ( -0.919 6.466 -5.809) 8.740 21.845 ( 1.114 11.373 -0.683) 11.448 21.931 ( -1.219 5.648 -3.464) 6.737 22.386 ( -1.440 -1.821 5.184) 5.680 22.564 ( 1.063 -3.602 -3.416) 5.077 27.291 ( 1.250 2.734 0.634) 3.072 27.313 ( -1.348 2.765 -0.451) 3.109 27.790 ( 9.605 -4.525 1.023) 10.666 27.841 ( -10.199 -4.431 -1.467) 11.216 29.866 ( 0.941 1.307 1.693) 2.337 29.926 ( -2.119 0.714 -1.238) 2.556 30.037 ( 3.919 1.310 2.591) 4.878 30.132 ( -2.325 0.523 -2.072) 3.158 30.919 ( -0.724 8.892 -1.146) 8.995 30.985 ( 1.029 3.516 -2.748) 4.580 31.672 ( -1.775 0.990 1.083) 2.303 31.729 ( 2.275 0.125 -1.600) 2.784 32.200 ( -2.061 3.473 0.766) 4.111 32.255 ( -0.579 5.530 -2.126) 5.952 32.421 ( -4.485 1.464 10.412) 11.431 32.631 ( 2.144 -0.899 2.768) 3.614 32.984 ( 2.448 2.579 10.069) 10.679 33.304 ( 2.290 2.813 -7.721) 8.530 33.696 ( 2.351 -0.789 3.736) 4.484 33.778 ( -3.606 3.382 -1.972) 5.323 34.076 ( 0.321 -1.405 -3.423) 3.714 34.352 ( -5.621 -3.246 -8.778) 10.917 34.494 ( 0.767 -5.111 3.960) 6.511 34.624 ( 5.918 -3.457 -5.745) 8.943 36.118 ( 4.968 -0.321 16.647) 17.376 36.671 ( -4.379 -9.410 -6.185) 12.082 37.090 ( -3.437 -6.579 3.612) 8.255 37.329 ( 2.674 -3.059 -7.342) 8.391 ======================= Grid point 106 (53/88) ======================= q-point: ( 0.14 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 15.069 4.024 18.378) 24.104 2.353 ( 18.135 5.958 26.415) 32.590 2.479 ( -0.526 -2.498 -4.563) 5.229 2.674 ( -0.073 4.162 2.398) 4.804 2.789 ( -0.480 0.991 -1.225) 1.647 2.947 ( 2.797 5.163 10.349) 11.899 3.124 ( 20.258 2.206 -19.272) 28.047 3.321 ( 5.621 10.373 -18.367) 21.830 3.526 ( 0.254 -0.565 4.124) 4.170 3.693 ( 7.042 7.071 12.109) 15.691 3.763 ( -7.386 0.185 15.565) 17.229 3.976 ( -5.954 2.062 -5.864) 8.607 4.225 ( 11.959 3.396 -0.701) 12.452 4.365 ( -6.093 1.643 -13.584) 14.978 4.478 ( -1.261 1.214 18.707) 18.789 4.749 ( 7.646 -12.994 2.860) 15.346 4.825 ( -0.783 4.262 1.938) 4.747 4.926 ( 7.136 -7.076 6.509) 11.973 5.007 ( 10.175 -3.340 -0.995) 10.755 5.150 ( -0.224 -1.276 10.113) 10.196 5.170 ( -1.649 -2.315 -4.857) 5.627 5.279 ( 1.677 2.010 -9.509) 9.863 5.419 ( 0.916 1.521 0.309) 1.802 5.577 ( -3.772 -1.109 -1.899) 4.366 5.729 ( 3.450 1.998 -3.690) 5.433 5.796 ( -1.675 -5.892 -9.180) 11.036 5.995 ( 8.384 -7.219 -8.053) 13.684 6.052 ( 2.364 1.889 -5.449) 6.233 6.309 ( -5.300 0.199 -1.697) 5.569 6.320 ( 4.506 -3.265 10.571) 11.946 6.540 ( -7.820 2.059 0.562) 8.106 6.619 ( -1.244 4.880 2.321) 5.546 6.712 ( -16.094 -0.954 4.612) 16.769 7.113 ( 7.308 5.927 -4.061) 10.249 7.228 ( -0.048 0.908 5.228) 5.307 7.390 ( 1.269 -2.378 -0.128) 2.699 7.476 ( 4.599 2.176 2.805) 5.810 7.612 ( 4.944 3.087 -1.695) 6.071 7.721 ( 5.706 -4.972 -3.315) 8.263 7.919 ( 6.454 6.964 -8.000) 12.416 8.036 ( -5.756 2.700 -6.440) 9.050 8.228 ( -2.524 -0.390 7.571) 7.990 8.345 ( -1.467 1.626 5.674) 6.082 8.474 ( -1.501 6.084 1.572) 6.460 8.556 ( -0.629 2.899 -2.607) 3.949 9.050 ( 4.020 3.592 3.037) 6.188 9.154 ( 1.810 -0.384 -4.754) 5.102 9.228 ( 3.443 -1.410 -1.593) 4.047 9.319 ( -7.317 -4.162 7.945) 11.575 9.575 ( -4.743 -1.182 -10.439) 11.527 9.722 ( -0.722 -3.118 7.056) 7.748 9.777 ( 2.061 1.739 -0.290) 2.712 10.004 ( -0.862 -0.389 5.212) 5.297 10.222 ( -3.458 -2.412 0.581) 4.256 10.237 ( -4.279 1.681 -5.771) 7.378 10.430 ( 2.808 4.315 -9.559) 10.858 10.772 ( -8.209 -2.016 -4.331) 9.498 10.889 ( 3.126 -6.349 4.348) 8.306 11.056 ( -5.911 0.633 7.560) 9.618 11.219 ( -4.321 -1.798 8.141) 9.390 11.359 ( 3.240 -2.054 1.078) 3.985 11.474 ( -0.780 3.784 -4.509) 5.938 11.699 ( -14.880 -3.886 -2.580) 15.594 11.877 ( -0.232 0.013 0.351) 0.421 12.263 ( -2.585 -3.051 1.994) 4.468 12.385 ( 0.829 -1.211 3.979) 4.241 12.561 ( -16.678 -3.002 3.703) 17.346 12.823 ( -1.339 5.041 6.950) 8.689 12.900 ( -6.366 1.508 3.348) 7.349 13.004 ( -8.516 -0.559 -11.215) 14.093 13.179 ( 3.026 -1.017 0.956) 3.332 13.227 ( 0.084 -0.607 -6.383) 6.413 13.415 ( 2.313 3.616 4.148) 5.969 13.483 ( -3.345 -1.125 -14.546) 14.968 13.847 ( -7.091 -29.392 0.718) 30.244 13.998 ( -7.226 -18.166 2.962) 19.773 14.568 ( -5.777 5.068 4.557) 8.935 14.631 ( 2.617 -0.472 -3.731) 4.582 14.817 ( -9.262 11.249 -2.546) 14.792 15.036 ( -0.110 0.107 -6.083) 6.085 15.219 ( 12.498 -2.490 -0.829) 12.770 15.366 ( 4.524 0.062 2.088) 4.983 15.552 ( 11.429 2.612 -2.248) 11.938 15.809 ( -0.410 -10.629 9.675) 14.379 16.160 ( 7.485 -2.844 -3.676) 8.810 16.377 ( 1.768 -2.736 0.134) 3.260 16.463 ( 9.897 -6.952 -4.828) 13.022 16.670 ( 18.702 -5.486 -3.788) 19.855 17.021 ( -5.293 5.502 -6.007) 9.715 17.040 ( 0.961 2.511 2.009) 3.356 17.243 ( 2.081 -1.141 8.609) 8.930 17.446 ( 5.892 2.563 -1.765) 6.663 17.872 ( -5.532 0.101 5.994) 8.158 18.068 ( -1.038 8.547 1.745) 8.785 18.175 ( 0.211 5.867 2.712) 6.467 18.221 ( 3.160 4.938 -2.519) 6.380 18.470 ( 1.690 -1.928 -6.735) 7.206 18.653 ( 7.172 -3.275 -1.646) 8.055 18.870 ( -3.495 1.914 4.626) 6.106 19.168 ( 7.675 6.225 -1.344) 9.973 21.793 ( -5.675 8.413 0.865) 10.185 21.852 ( -4.730 5.818 -1.967) 7.752 22.320 ( -7.552 -1.698 4.931) 9.178 22.472 ( -6.681 -2.690 -4.202) 8.339 27.367 ( 6.875 0.650 1.313) 7.029 27.487 ( 13.203 0.749 -3.149) 13.594 27.704 ( -0.690 -2.361 -2.948) 3.839 28.109 ( 19.735 -7.264 1.722) 21.100 29.889 ( -0.035 0.198 -0.095) 0.223 29.920 ( 1.742 0.898 1.234) 2.315 30.087 ( 0.924 1.053 -2.142) 2.559 30.180 ( 7.313 0.936 1.289) 7.485 30.903 ( -0.604 7.905 0.389) 7.938 30.982 ( 0.817 3.720 -2.490) 4.551 31.629 ( -2.985 0.819 0.490) 3.134 31.741 ( 0.050 -0.224 -1.299) 1.319 32.184 ( -0.810 2.960 2.088) 3.712 32.263 ( 2.434 6.469 -0.514) 6.931 32.435 ( -2.917 1.426 11.519) 11.968 32.695 ( 3.028 -0.700 0.048) 3.108 33.085 ( 0.749 1.751 3.804) 4.254 33.257 ( -0.509 3.925 -8.785) 9.635 33.626 ( -3.977 1.622 0.373) 4.311 33.885 ( 7.009 -1.521 3.774) 8.104 34.069 ( -1.342 -2.854 0.680) 3.226 34.205 ( -1.320 2.511 -6.825) 7.391 34.502 ( 0.090 -3.643 1.318) 3.875 34.704 ( 5.188 -3.804 -5.472) 8.445 36.299 ( 1.567 -4.178 13.171) 13.906 36.495 ( -8.228 -8.032 -5.715) 12.840 36.869 ( -17.297 -0.440 1.469) 17.365 37.300 ( -1.891 -4.774 -3.690) 6.323 ======================= Grid point 107 (54/88) ======================= q-point: ( 0.29 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -0.891 -3.021 -0.277) 3.162 2.497 ( 2.093 -3.036 2.223) 4.306 2.666 ( -1.489 1.627 -2.140) 3.073 2.722 ( -0.204 0.051 1.168) 1.187 2.990 ( 14.855 1.595 0.211) 14.942 3.128 ( -1.049 7.845 8.176) 11.379 3.225 ( 2.514 2.777 5.183) 6.395 3.297 ( 6.899 6.910 -7.090) 12.067 3.534 ( 2.532 -1.368 -7.487) 8.021 3.732 ( 6.668 1.001 -0.547) 6.765 3.877 ( 4.789 0.891 12.893) 13.782 3.977 ( 0.103 8.000 -5.227) 9.556 4.199 ( -3.459 -0.161 -2.460) 4.248 4.445 ( 13.772 0.113 -7.496) 15.680 4.672 ( 5.373 6.591 -0.180) 8.506 4.709 ( -2.739 0.748 -1.282) 3.115 4.878 ( 5.282 1.985 1.722) 5.899 5.005 ( -2.178 6.275 -6.913) 9.587 5.076 ( -0.560 -4.646 -1.052) 4.797 5.166 ( 7.965 -4.994 0.231) 9.404 5.253 ( 0.402 1.319 -0.665) 1.531 5.321 ( 2.835 -10.140 0.686) 10.551 5.507 ( 2.247 2.016 -3.029) 4.277 5.590 ( 2.552 -5.182 -0.456) 5.795 5.756 ( 9.989 1.876 4.532) 11.128 5.833 ( 3.612 -0.991 4.688) 6.001 5.922 ( -2.164 9.255 -2.156) 9.746 6.093 ( 0.455 -3.042 5.233) 6.070 6.343 ( 4.783 -12.130 0.229) 13.041 6.448 ( 0.903 2.597 -1.224) 3.009 6.494 ( -7.410 -0.805 3.831) 8.380 6.621 ( 14.143 -2.456 11.932) 18.666 6.754 ( 7.143 5.799 2.496) 9.533 7.162 ( 1.898 1.244 -0.455) 2.315 7.286 ( -3.391 -1.656 0.620) 3.824 7.397 ( 1.312 3.150 14.823) 15.211 7.556 ( 0.259 6.654 1.934) 6.935 7.658 ( -5.812 -9.376 -3.253) 11.501 7.694 ( 1.613 -0.093 -2.593) 3.055 7.829 ( -0.883 3.198 -2.894) 4.403 8.051 ( 3.830 7.746 -2.917) 9.120 8.260 ( -3.275 1.210 11.352) 11.877 8.407 ( 1.760 -0.802 -4.414) 4.819 8.459 ( -3.777 2.599 2.409) 5.179 8.621 ( 10.292 0.261 3.597) 10.905 9.047 ( -8.466 -0.237 -1.325) 8.572 9.099 ( -6.143 -4.590 0.061) 7.668 9.160 ( -2.546 4.198 1.189) 5.051 9.334 ( 3.074 0.577 -3.448) 4.655 9.427 ( -1.202 -3.847 -10.577) 11.319 9.709 ( -4.720 -5.573 4.655) 8.661 9.776 ( -5.315 -1.382 4.372) 7.020 9.981 ( -2.735 -0.815 -3.514) 4.526 10.141 ( 0.391 7.907 -5.671) 9.738 10.166 ( -2.089 -3.799 1.038) 4.458 10.373 ( 0.564 2.988 -7.368) 7.971 10.612 ( -4.512 4.180 -1.744) 6.393 10.944 ( -9.300 7.296 -3.186) 12.243 11.014 ( 3.713 -7.952 6.218) 10.755 11.146 ( -6.814 -1.339 3.941) 7.985 11.349 ( -13.506 -10.569 6.284) 18.265 11.395 ( 0.434 -2.550 -15.571) 15.785 11.434 ( 3.013 -2.840 3.286) 5.287 11.836 ( -5.752 4.484 1.447) 7.435 12.169 ( -4.621 -0.499 -8.281) 9.496 12.272 ( -7.641 2.432 -1.145) 8.100 12.417 ( -7.890 -4.779 7.317) 11.774 12.681 ( -12.222 2.814 -7.190) 14.456 12.763 ( -5.937 5.874 -3.211) 8.948 12.847 ( -4.125 -4.427 2.959) 6.735 13.156 ( -2.507 -3.979 -2.204) 5.194 13.256 ( -0.137 -0.346 -6.636) 6.647 13.390 ( 3.751 -0.655 0.920) 3.918 13.509 ( 4.133 2.557 7.033) 8.549 13.704 ( -4.184 -16.836 -2.330) 17.504 14.005 ( 1.796 -15.737 7.596) 17.567 14.484 ( -6.464 4.170 5.516) 9.465 14.624 ( 0.191 0.117 -5.751) 5.756 14.700 ( 2.994 1.744 -3.362) 4.827 14.942 ( -5.076 -0.534 -3.576) 6.232 15.474 ( 9.217 -1.086 2.967) 9.744 15.540 ( 9.221 1.746 2.694) 9.764 15.837 ( 12.852 -0.604 4.722) 13.705 15.921 ( 5.501 -2.141 6.882) 9.067 16.242 ( 5.302 -0.276 -5.661) 7.761 16.429 ( 2.027 0.973 1.061) 2.486 16.560 ( 5.117 -6.708 -2.052) 8.683 16.825 ( -4.299 5.577 -7.220) 10.085 16.979 ( 6.464 -7.701 -2.432) 10.344 17.083 ( 3.553 0.850 0.902) 3.763 17.310 ( -1.151 -3.122 4.414) 5.527 17.533 ( 3.473 0.852 -1.535) 3.891 17.826 ( -3.333 0.318 2.559) 4.214 17.953 ( -4.753 5.077 -4.599) 8.338 18.201 ( 5.707 10.330 -1.527) 11.900 18.366 ( -3.958 0.192 -9.983) 10.741 18.392 ( 5.063 -0.073 0.419) 5.081 18.767 ( 0.603 2.666 4.584) 5.337 18.880 ( 4.636 0.006 5.947) 7.541 19.381 ( 10.741 4.034 2.742) 11.797 21.663 ( -6.824 3.376 -0.376) 7.623 21.715 ( -8.494 4.711 0.893) 9.754 22.218 ( -5.368 -1.256 3.475) 6.517 22.296 ( -5.914 -1.207 -4.122) 7.309 27.534 ( 3.640 -0.223 5.657) 6.730 27.658 ( 9.378 -3.850 -2.485) 10.437 27.819 ( 11.882 0.760 -0.490) 11.917 28.502 ( 18.099 -11.292 -1.388) 21.378 29.894 ( 0.806 0.235 -0.573) 1.017 29.953 ( 0.272 -0.372 0.434) 0.633 30.127 ( 4.254 1.734 -0.569) 4.629 30.334 ( 6.524 -0.092 0.228) 6.529 30.903 ( -0.055 7.414 1.261) 7.521 30.981 ( 0.899 3.993 -1.937) 4.528 31.575 ( -2.362 1.059 0.412) 2.621 31.714 ( -1.416 0.340 -1.469) 2.068 32.198 ( -0.549 2.732 4.548) 5.334 32.333 ( 3.791 6.250 1.384) 7.440 32.483 ( -1.138 2.019 10.628) 10.878 32.737 ( 1.858 -0.117 -3.822) 4.252 33.048 ( -3.460 2.050 -3.337) 5.226 33.169 ( -0.519 4.042 -8.724) 9.629 33.582 ( -2.749 0.071 1.353) 3.065 34.019 ( 4.222 -2.597 2.030) 5.356 34.046 ( -4.558 -2.993 2.903) 6.178 34.174 ( 4.131 4.703 -4.577) 7.754 34.561 ( 3.808 -2.238 2.852) 5.258 34.741 ( 2.780 -1.079 -4.226) 5.172 36.283 ( -9.889 -6.987 -0.858) 12.139 36.398 ( -1.008 -5.941 10.329) 11.958 36.548 ( -12.560 3.408 -2.771) 13.306 37.184 ( -5.531 -6.433 -5.588) 10.159 ======================= Grid point 108 (55/88) ======================= q-point: (-0.57 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 0.158 -0.249 -0.128) 0.322 2.497 ( -2.134 3.238 -2.197) 4.457 2.614 ( -3.011 -6.123 -0.095) 6.824 2.686 ( -1.759 -0.913 -2.519) 3.205 2.953 ( -7.210 -6.140 1.160) 9.541 3.025 ( -1.856 3.462 -10.800) 11.492 3.320 ( 5.147 0.985 2.255) 5.705 3.345 ( -13.084 8.427 4.815) 16.291 3.717 ( -8.727 8.655 2.618) 12.566 3.781 ( 6.946 4.396 11.734) 14.326 3.964 ( 15.894 1.526 -6.531) 17.251 4.097 ( 2.827 0.950 -6.866) 7.486 4.214 ( 5.855 9.783 13.635) 17.774 4.440 ( -12.222 12.294 -0.092) 17.336 4.605 ( 6.631 -4.764 -5.830) 10.033 4.848 ( 7.823 -0.173 -7.949) 11.154 4.884 ( -2.390 0.331 -11.628) 11.876 4.972 ( 0.251 0.107 1.587) 1.611 5.099 ( 1.876 -4.828 -4.852) 7.098 5.135 ( -1.726 -6.667 -0.579) 6.911 5.329 ( -4.976 -3.386 3.232) 6.832 5.454 ( 15.104 3.467 -4.502) 16.137 5.499 ( 3.137 -2.015 -8.019) 8.843 5.700 ( 9.473 -6.051 5.279) 12.418 5.821 ( -3.306 6.078 -6.846) 9.734 5.976 ( 2.221 -5.507 8.377) 10.268 6.090 ( 4.273 5.355 11.769) 13.618 6.216 ( -10.363 2.689 11.249) 15.529 6.248 ( 7.751 -3.780 2.096) 8.875 6.366 ( 1.093 2.048 0.116) 2.324 6.637 ( 9.354 -1.055 -3.769) 10.140 6.816 ( -0.524 3.909 -1.547) 4.236 6.965 ( 3.081 -3.615 8.126) 9.413 7.159 ( -3.987 0.074 4.667) 6.139 7.303 ( 1.031 -3.099 8.904) 9.484 7.449 ( 1.256 2.119 -3.594) 4.357 7.550 ( -6.389 -4.314 7.082) 10.468 7.612 ( 6.383 2.797 0.443) 6.984 7.691 ( -1.118 4.329 7.220) 8.492 7.900 ( 6.542 -1.821 0.333) 6.799 8.127 ( 4.663 7.808 3.151) 9.625 8.225 ( -5.220 0.215 5.469) 7.563 8.289 ( -3.998 0.216 -9.160) 9.997 8.503 ( 0.212 -1.627 9.345) 9.488 8.784 ( -0.162 -4.057 1.447) 4.311 8.888 ( -3.732 2.357 3.683) 5.749 9.021 ( 0.854 -3.583 0.596) 3.731 9.089 ( -5.791 3.959 -1.365) 7.147 9.264 ( -2.443 -4.311 -13.957) 14.810 9.357 ( -1.499 0.644 -2.927) 3.351 9.629 ( -6.915 -4.877 5.668) 10.185 9.725 ( 1.754 -4.741 -1.560) 5.290 9.884 ( -2.340 -6.106 -4.558) 7.970 10.125 ( -1.873 1.838 -1.244) 2.904 10.175 ( 6.171 2.519 -4.857) 8.247 10.393 ( 4.125 4.916 -3.586) 7.352 10.510 ( -4.990 7.519 -5.591) 10.616 10.660 ( -7.624 4.861 -8.403) 12.343 11.098 ( -3.847 -1.864 6.705) 7.952 11.141 ( 5.852 -1.442 1.476) 6.205 11.240 ( -5.593 -8.246 11.068) 14.892 11.313 ( 2.464 -12.514 -12.564) 17.903 11.542 ( 3.097 -0.366 7.414) 8.043 11.753 ( -1.071 3.424 -2.197) 4.206 11.919 ( -11.573 0.366 -12.399) 16.965 12.127 ( -4.294 8.127 -2.076) 9.423 12.292 ( -7.131 1.600 0.821) 7.354 12.414 ( -8.916 -1.739 -3.060) 9.585 12.664 ( -1.770 -2.421 -3.140) 4.342 12.824 ( 0.559 -0.992 0.353) 1.192 13.113 ( 0.428 -3.474 -4.562) 5.751 13.146 ( -2.600 -0.603 -6.438) 6.969 13.498 ( 3.479 1.117 2.892) 4.660 13.626 ( -0.303 -2.732 -0.335) 2.769 13.744 ( 6.314 -6.137 13.729) 16.310 14.136 ( 4.706 -9.184 6.157) 12.016 14.414 ( -4.771 2.969 5.885) 8.137 14.638 ( 4.892 -4.151 -6.237) 8.948 14.745 ( 2.748 -2.517 -4.334) 5.716 14.803 ( -4.677 0.049 -2.356) 5.237 15.624 ( 4.444 -2.698 4.968) 7.191 15.721 ( 3.301 -2.312 6.660) 7.784 15.991 ( 0.278 0.510 7.564) 7.586 16.110 ( 4.927 5.834 -1.907) 7.870 16.297 ( 6.323 1.148 -5.177) 8.252 16.406 ( -3.335 6.830 -6.307) 9.877 16.619 ( 1.293 -5.686 0.164) 5.833 16.747 ( 0.651 -0.243 -1.742) 1.875 17.018 ( 1.278 -5.835 -0.359) 5.984 17.163 ( 2.585 -2.688 -1.515) 4.025 17.295 ( -2.843 0.383 5.674) 6.358 17.551 ( 0.491 -0.393 -2.613) 2.688 17.762 ( -2.721 0.700 -0.082) 2.811 17.904 ( 1.119 -1.345 1.399) 2.240 18.149 ( -6.933 1.638 -4.357) 8.351 18.241 ( -3.301 2.172 -14.444) 14.975 18.519 ( 10.121 4.813 3.509) 11.743 18.743 ( -4.796 6.947 1.857) 8.644 19.142 ( 11.956 2.191 10.398) 15.995 19.532 ( 1.365 5.282 0.630) 5.491 21.553 ( -5.080 1.391 1.180) 5.397 21.567 ( -3.527 0.510 -1.147) 3.744 22.173 ( -1.594 -0.932 2.071) 2.775 22.217 ( 0.340 -0.761 -2.076) 2.237 27.589 ( -1.033 0.650 4.907) 5.057 27.812 ( 7.031 -2.902 -5.178) 9.202 28.078 ( 8.268 -3.309 11.678) 14.686 28.761 ( 10.411 -16.168 -6.084) 20.169 29.904 ( 0.435 0.411 -0.460) 0.754 29.939 ( -1.184 0.075 -0.885) 1.480 30.226 ( 4.373 0.646 2.019) 4.860 30.404 ( 0.684 -1.130 -1.874) 2.292 30.921 ( 0.735 7.711 1.448) 7.880 30.988 ( 1.175 3.847 -1.632) 4.341 31.556 ( 0.023 1.537 1.117) 1.900 31.673 ( -1.054 1.522 -1.979) 2.710 32.229 ( -1.028 2.908 7.024) 7.671 32.409 ( 1.546 3.695 3.347) 5.220 32.553 ( 0.846 3.887 6.327) 7.474 32.676 ( -2.703 0.070 -8.265) 8.696 32.952 ( -4.363 4.799 0.622) 6.515 33.151 ( 4.630 2.991 -4.377) 7.038 33.510 ( -3.514 -0.323 -2.301) 4.213 33.874 ( -8.549 -1.752 -7.879) 11.757 34.138 ( 3.648 1.927 5.676) 7.017 34.259 ( 3.754 0.996 -0.213) 3.890 34.642 ( 0.897 -1.792 3.236) 3.806 34.764 ( 2.659 0.436 -2.939) 3.987 36.081 ( -14.115 -3.525 7.684) 16.453 36.356 ( 3.335 1.868 -10.974) 11.620 36.490 ( -0.419 -7.347 10.494) 12.817 37.033 ( -3.214 -6.505 -8.546) 11.211 ======================= Grid point 109 (56/88) ======================= q-point: (-0.43 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -9.645 1.979 5.401) 11.230 2.368 ( -10.591 4.681 -2.000) 11.750 2.546 ( -1.546 -3.507 1.376) 4.072 2.647 ( -0.194 -1.132 -1.428) 1.833 2.832 ( -4.931 1.813 0.268) 5.261 2.891 ( -11.567 9.175 -2.426) 14.962 3.107 ( -6.771 -2.568 14.489) 16.198 3.469 ( 5.651 -5.140 5.558) 9.447 3.507 ( -10.489 3.980 -4.885) 12.236 3.929 ( -7.516 11.610 12.714) 18.786 4.062 ( 6.481 7.734 -5.373) 11.432 4.198 ( -3.540 7.603 4.534) 9.534 4.229 ( 3.229 9.141 -9.328) 13.454 4.438 ( 7.067 -0.671 4.114) 8.205 4.646 ( -4.953 -1.227 -14.620) 15.485 4.752 ( 2.691 -3.199 -1.401) 4.409 4.871 ( -8.613 1.508 -5.321) 10.236 4.921 ( 0.429 -2.478 -0.152) 2.519 5.081 ( -10.268 -0.947 4.388) 11.206 5.178 ( 6.049 0.052 -1.313) 6.190 5.203 ( 2.124 -4.630 -1.095) 5.210 5.464 ( -11.955 -3.633 -4.216) 13.187 5.512 ( 3.349 -4.453 -1.818) 5.861 5.638 ( -5.180 0.246 -3.888) 6.481 5.817 ( -5.783 -6.364 4.936) 9.915 5.980 ( -8.658 -8.210 0.689) 11.951 6.177 ( 7.899 5.297 -2.213) 9.765 6.240 ( 5.369 7.049 2.933) 9.334 6.403 ( -1.478 4.478 6.507) 8.036 6.528 ( 8.212 2.649 7.132) 11.195 6.687 ( 0.241 7.310 -6.436) 9.742 6.743 ( -4.684 -6.687 9.312) 12.384 6.950 ( 1.631 0.116 -1.202) 2.030 7.139 ( -7.570 2.333 12.356) 14.677 7.316 ( -2.225 -7.754 0.544) 8.086 7.469 ( -2.943 4.498 -7.984) 9.625 7.502 ( -0.187 0.995 -2.570) 2.763 7.747 ( 10.034 -0.837 -1.590) 10.193 7.850 ( 7.030 0.856 8.243) 10.868 8.025 ( 3.851 -3.596 6.440) 8.320 8.100 ( -4.406 2.635 2.103) 5.547 8.139 ( -2.966 2.111 -3.691) 5.184 8.385 ( 7.622 2.221 5.390) 9.596 8.545 ( -2.017 -4.944 5.373) 7.575 8.794 ( 1.427 -1.965 2.740) 3.661 8.861 ( -1.830 -2.406 7.595) 8.174 8.947 ( -5.784 3.881 -0.598) 6.991 9.144 ( 1.802 -1.874 -9.631) 9.976 9.157 ( 8.205 2.095 -5.286) 9.983 9.266 ( -3.282 -1.261 -1.085) 3.680 9.589 ( -3.946 -5.170 8.239) 10.497 9.766 ( 5.025 -1.833 -4.266) 6.841 9.859 ( 1.937 -11.722 -0.979) 11.921 10.064 ( 0.526 2.714 -7.652) 8.136 10.296 ( 6.616 0.780 -4.360) 7.961 10.346 ( 1.460 4.689 -10.809) 11.873 10.416 ( -0.508 8.450 1.259) 8.558 10.613 ( 3.823 2.062 -5.471) 6.986 11.071 ( -2.041 -2.135 2.945) 4.170 11.143 ( -9.004 -8.713 4.818) 13.424 11.293 ( 5.304 -0.301 -1.150) 5.436 11.377 ( 8.935 -9.098 -0.879) 12.782 11.593 ( -1.535 -1.515 3.703) 4.285 11.741 ( -0.091 6.727 5.493) 8.685 11.759 ( 2.672 -1.195 -4.980) 5.777 12.036 ( -0.310 8.757 -8.845) 12.451 12.211 ( -1.137 2.374 1.323) 2.946 12.280 ( -4.969 -3.523 5.390) 8.134 12.638 ( 0.218 -5.293 -0.588) 5.330 12.851 ( 2.959 2.328 -3.017) 4.825 13.048 ( -0.679 1.527 -1.795) 2.452 13.157 ( 5.610 -3.794 -4.875) 8.344 13.540 ( -1.794 -2.723 1.206) 3.477 13.626 ( 1.845 2.002 -1.029) 2.910 13.958 ( 3.081 -6.852 11.820) 14.005 14.226 ( 1.838 -4.283 -2.770) 5.422 14.399 ( -1.927 1.377 6.383) 6.808 14.615 ( -2.084 -3.252 -3.619) 5.293 14.758 ( 5.485 -2.514 -4.188) 7.344 14.805 ( 3.655 -2.669 -4.476) 6.365 15.726 ( -3.954 -4.752 5.013) 7.959 15.778 ( 3.929 -1.887 6.018) 7.430 15.968 ( -9.613 4.477 3.769) 11.254 16.054 ( -5.423 4.798 1.646) 7.426 16.234 ( -5.938 7.813 -10.330) 14.249 16.421 ( 8.057 3.222 -4.540) 9.794 16.633 ( -1.266 -8.863 3.124) 9.482 16.753 ( 0.539 -4.146 -2.850) 5.060 17.030 ( -0.796 -3.901 0.505) 4.013 17.140 ( -1.495 -4.808 -3.903) 6.370 17.320 ( -1.793 4.058 8.337) 9.444 17.515 ( -1.751 -0.390 -2.629) 3.182 17.774 ( 0.813 0.563 6.339) 6.416 17.922 ( -6.003 -3.778 -2.969) 7.689 18.033 ( 3.479 -0.411 -0.579) 3.551 18.069 ( -0.915 5.115 -9.501) 10.829 18.575 ( -8.781 8.189 0.197) 12.008 18.786 ( 10.122 4.869 0.827) 11.262 19.376 ( -2.606 3.315 4.191) 5.945 19.477 ( 0.901 4.181 -0.493) 4.305 21.499 ( 0.228 0.580 1.272) 1.416 21.604 ( 6.790 0.436 -0.684) 6.839 22.176 ( 0.648 -0.819 0.353) 1.102 22.256 ( 4.665 -1.671 -1.813) 5.276 27.577 ( -4.274 1.447 4.945) 6.694 27.842 ( 1.271 -1.499 -7.225) 7.488 28.263 ( -1.290 -7.575 14.794) 16.671 28.781 ( -1.227 -21.416 -14.985) 26.167 29.895 ( -1.448 0.660 -0.111) 1.595 29.916 ( 0.082 0.828 -0.265) 0.873 30.291 ( -1.586 -0.678 1.924) 2.584 30.345 ( -2.726 -1.281 -2.326) 3.806 30.943 ( 0.657 8.073 0.126) 8.100 31.001 ( 1.467 4.042 -2.127) 4.798 31.587 ( 1.653 1.743 1.588) 2.879 31.651 ( 0.776 2.781 -2.751) 3.988 32.263 ( -2.014 3.273 8.870) 9.666 32.439 ( -1.530 1.784 3.174) 3.949 32.551 ( -2.747 0.052 -4.663) 5.412 32.575 ( -0.955 1.860 -2.795) 3.490 32.913 ( -3.548 7.549 7.677) 11.336 33.262 ( 8.393 4.005 -2.625) 9.663 33.459 ( -0.687 0.135 3.903) 3.965 33.653 ( -4.535 1.620 -10.246) 11.321 34.187 ( -3.450 2.764 4.440) 6.265 34.296 ( 0.301 -0.385 -1.065) 1.172 34.648 ( -2.383 -1.332 2.833) 3.935 34.796 ( 3.029 -0.970 -3.824) 4.974 35.865 ( -12.991 0.510 8.312) 15.431 36.465 ( 14.369 0.203 -8.842) 16.873 36.591 ( 1.485 -9.775 12.397) 15.857 36.945 ( 2.234 -5.028 -10.274) 11.655 ======================= Grid point 110 (57/88) ======================= q-point: (-0.29 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -24.035 6.712 14.340) 28.782 2.161 ( -15.962 16.333 18.115) 29.150 2.588 ( 2.252 -2.578 -0.056) 3.424 2.635 ( -0.659 -0.779 -1.085) 1.489 2.694 ( -5.056 3.752 1.725) 6.528 2.805 ( -1.489 3.705 3.922) 5.597 3.097 ( -7.677 -1.510 7.043) 10.527 3.270 ( -13.154 3.059 7.359) 15.380 3.631 ( 3.669 -8.311 4.152) 9.989 3.740 ( -23.328 15.751 15.381) 32.076 3.928 ( -10.065 10.100 -0.347) 14.263 4.112 ( -10.669 -0.978 -0.431) 10.722 4.282 ( 9.750 6.056 -1.507) 11.576 4.340 ( -2.257 -2.931 -13.245) 13.752 4.552 ( -7.385 2.473 -7.724) 10.969 4.656 ( -9.059 -1.921 -0.516) 9.275 4.871 ( 7.809 -12.725 -11.815) 19.039 4.921 ( -1.788 0.417 4.691) 5.037 4.996 ( 3.448 -2.295 -0.767) 4.213 5.117 ( -7.651 0.683 1.313) 7.793 5.140 ( -2.193 1.768 3.329) 4.361 5.286 ( -2.078 -1.031 -2.273) 3.248 5.532 ( 4.456 -2.681 -0.964) 5.289 5.680 ( -2.994 -5.489 0.314) 6.260 5.772 ( 3.728 -0.059 2.011) 4.236 5.827 ( -5.480 -5.252 3.315) 8.283 6.224 ( -6.005 10.849 -0.769) 12.423 6.322 ( 5.779 -6.003 -5.262) 9.855 6.353 ( -4.279 10.885 2.527) 11.966 6.524 ( -6.822 -1.315 -5.568) 8.904 6.747 ( 7.211 8.219 0.170) 10.935 6.804 ( -0.011 -3.014 10.018) 10.462 6.967 ( -1.790 -3.404 0.819) 3.933 7.102 ( -3.202 5.288 6.327) 8.846 7.228 ( -6.892 4.606 -8.412) 11.810 7.279 ( -4.497 -5.319 1.800) 7.194 7.493 ( 3.688 2.414 -9.960) 10.892 7.836 ( -1.538 -2.474 -6.344) 6.981 7.893 ( -3.080 -2.285 -7.607) 8.519 8.006 ( -6.414 2.165 5.077) 8.462 8.137 ( 3.080 -1.976 8.640) 9.383 8.259 ( 9.281 -1.873 0.201) 9.471 8.489 ( -1.039 -2.701 3.628) 4.641 8.518 ( -0.986 -5.073 0.213) 5.173 8.832 ( 0.924 -0.892 -0.452) 1.361 8.857 ( -3.369 4.063 0.811) 5.340 8.929 ( -2.740 3.655 10.618) 11.559 9.127 ( 0.737 2.136 -4.234) 4.800 9.206 ( 10.162 1.440 -6.648) 12.229 9.331 ( 3.764 2.497 0.985) 4.623 9.609 ( 0.281 -10.763 10.006) 14.698 9.849 ( 5.556 -11.385 -6.963) 14.456 9.958 ( 6.817 0.135 4.970) 8.438 10.032 ( 2.004 5.860 -8.522) 10.535 10.327 ( 5.418 -4.628 -3.881) 8.114 10.382 ( 3.674 7.834 -9.276) 12.686 10.526 ( 8.488 3.721 8.755) 12.749 10.630 ( 3.213 -0.294 -8.120) 8.737 10.978 ( -6.161 -10.135 3.209) 12.287 11.111 ( 2.235 -0.222 -0.373) 2.277 11.344 ( -1.238 2.004 1.103) 2.601 11.483 ( 1.444 -3.944 6.273) 7.549 11.699 ( -0.656 3.254 -1.738) 3.747 11.778 ( 1.296 -4.042 -1.105) 4.386 11.830 ( 13.599 3.459 1.532) 14.115 12.128 ( 13.223 7.434 2.481) 15.371 12.248 ( 3.767 -0.985 4.802) 6.183 12.356 ( 4.080 -6.981 20.062) 21.630 12.638 ( 0.435 -2.596 -1.081) 2.846 12.895 ( 3.249 4.985 -1.762) 6.206 13.112 ( 7.498 -2.074 0.064) 7.780 13.263 ( 8.619 -2.297 -3.999) 9.775 13.470 ( -3.777 -1.669 -2.262) 4.708 13.655 ( 1.660 2.442 -1.208) 3.190 14.012 ( -3.879 -12.221 4.828) 13.701 14.159 ( -1.685 -3.386 -14.134) 14.632 14.433 ( 1.713 3.552 4.935) 6.317 14.596 ( 1.413 0.840 -1.164) 2.015 14.810 ( 4.520 -3.683 -8.369) 10.200 14.865 ( 4.021 -1.663 -0.894) 4.442 15.619 ( -8.243 2.202 2.008) 8.765 15.674 ( -13.305 5.839 -4.073) 15.090 15.905 ( -12.207 -0.488 2.813) 12.536 16.006 ( 7.155 -3.454 9.421) 12.324 16.030 ( -8.629 5.245 -6.426) 11.970 16.497 ( 2.943 -0.022 -5.471) 6.212 16.616 ( -4.046 -11.301 5.871) 13.362 16.720 ( 0.113 -4.193 -6.676) 7.884 16.942 ( -7.662 -3.271 -2.855) 8.807 17.082 ( -2.810 -1.527 0.078) 3.199 17.324 ( -3.429 1.058 7.296) 8.131 17.447 ( -4.661 -1.467 -0.950) 4.978 17.768 ( -5.511 2.871 2.070) 6.550 17.837 ( 1.034 2.001 4.509) 5.040 18.030 ( 0.146 9.557 -2.859) 9.977 18.191 ( 9.344 -0.747 2.328) 9.658 18.431 ( -2.364 1.829 -2.045) 3.621 18.938 ( 3.599 1.149 -2.292) 4.419 19.174 ( -9.368 6.241 -5.108) 12.361 19.494 ( -5.840 -1.851 -0.854) 6.186 21.585 ( 6.729 3.647 1.746) 7.850 21.790 ( 11.193 2.493 -0.784) 11.494 22.196 ( 1.644 -0.129 -0.307) 1.678 22.362 ( 7.740 -2.780 -2.900) 8.721 27.499 ( -6.777 1.950 3.639) 7.935 27.772 ( -2.067 -1.700 -6.422) 6.958 28.220 ( -13.316 -12.397 4.708) 18.792 28.444 ( -17.267 -18.201 -19.128) 31.549 29.865 ( -1.442 1.399 0.477) 2.065 29.927 ( 0.627 0.402 0.956) 1.212 30.164 ( -7.418 -0.225 -2.021) 7.691 30.306 ( -3.508 -0.740 1.078) 3.744 30.952 ( 0.885 7.896 -1.671) 8.119 31.001 ( 0.671 5.214 -3.335) 6.225 31.634 ( 2.127 1.414 0.394) 2.584 31.661 ( 1.949 2.967 -1.968) 4.059 32.280 ( -3.390 3.616 8.062) 9.463 32.384 ( -3.697 2.235 -0.806) 4.395 32.512 ( -2.382 0.171 -2.894) 3.752 32.526 ( 0.022 0.048 3.042) 3.042 32.881 ( -4.500 6.017 5.466) 9.292 33.353 ( 4.465 2.707 -11.534) 12.661 33.478 ( 0.392 -0.204 2.928) 2.962 33.756 ( 13.701 4.191 13.998) 20.030 34.101 ( -6.630 0.823 2.247) 7.048 34.246 ( -3.026 0.760 -3.650) 4.801 34.609 ( -3.347 -1.440 2.623) 4.489 34.787 ( -0.622 -3.535 -7.657) 8.457 35.751 ( -5.709 4.392 13.378) 15.194 36.709 ( 6.700 -7.759 5.156) 11.475 36.740 ( 11.679 -5.787 -2.647) 13.300 36.985 ( 9.765 -2.044 -6.018) 11.651 ======================= Grid point 111 (58/88) ======================= q-point: (-0.14 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -15.123 7.351 30.741) 35.040 1.959 ( -25.615 21.186 29.580) 44.497 2.587 ( -0.848 0.319 -4.829) 4.913 2.606 ( 0.277 3.456 4.277) 5.506 2.677 ( -1.989 -0.684 7.541) 7.829 2.813 ( -1.209 2.792 6.343) 7.035 3.001 ( -5.010 3.975 3.127) 7.119 3.058 ( -9.256 12.616 12.621) 20.103 3.525 ( -3.833 6.878 16.217) 18.027 3.575 ( -12.160 -3.908 -0.795) 12.798 3.874 ( -2.754 -0.596 -9.983) 10.373 3.976 ( -4.235 2.212 19.048) 19.638 4.173 ( 1.099 -0.353 -22.026) 22.056 4.282 ( -1.049 -0.893 -0.955) 1.676 4.427 ( -3.416 1.369 -8.757) 9.499 4.605 ( 7.321 -6.692 5.881) 11.531 4.904 ( -1.750 -4.033 2.961) 5.301 4.921 ( -2.821 -8.945 -2.657) 9.749 5.048 ( -1.330 -6.867 3.618) 7.875 5.079 ( 5.609 1.875 2.041) 6.256 5.173 ( -7.354 2.740 4.924) 9.265 5.231 ( 2.167 -3.566 -1.592) 4.466 5.581 ( -6.374 -2.120 -2.296) 7.099 5.650 ( 6.530 -9.087 -0.286) 11.193 5.741 ( 0.686 3.376 0.559) 3.490 5.823 ( -4.975 5.951 -5.912) 9.753 6.093 ( -3.234 5.517 -2.223) 6.770 6.208 ( -1.571 9.763 -8.177) 12.832 6.392 ( -3.949 -8.055 -1.434) 9.084 6.439 ( 3.203 3.901 -2.857) 5.800 6.688 ( -6.021 -0.804 -6.272) 8.731 6.835 ( -5.571 -1.101 5.647) 8.008 7.000 ( 6.230 3.669 -1.886) 7.472 7.059 ( 0.052 5.011 -7.139) 8.722 7.155 ( 1.172 7.320 3.767) 8.316 7.256 ( 0.474 -5.371 -1.229) 5.530 7.479 ( -0.361 2.578 -0.928) 2.764 7.643 ( -8.082 -3.214 -7.085) 11.218 7.743 ( -10.285 -0.961 -5.276) 11.599 7.854 ( -2.754 2.849 -8.181) 9.090 8.233 ( -1.097 -3.909 6.142) 7.363 8.335 ( 1.440 -2.068 -5.489) 6.040 8.464 ( -2.091 -2.267 3.540) 4.695 8.538 ( 0.638 1.575 -0.367) 1.739 8.756 ( -9.877 4.482 3.186) 11.305 8.852 ( 5.153 1.052 -6.512) 8.371 8.940 ( 0.020 3.354 6.923) 7.693 9.180 ( 2.316 0.818 4.424) 5.060 9.315 ( 5.401 1.020 -6.728) 8.688 9.480 ( 6.153 1.842 10.068) 11.942 9.698 ( 1.244 -7.694 2.957) 8.336 9.873 ( 1.747 -10.973 -6.433) 12.839 9.966 ( -2.178 4.526 -0.609) 5.060 10.152 ( 6.023 1.420 4.342) 7.560 10.356 ( 2.829 3.971 -7.601) 9.031 10.439 ( 5.902 -0.973 -8.587) 10.466 10.619 ( 2.867 -3.958 -1.767) 5.197 10.835 ( 9.353 -1.676 14.743) 17.540 10.975 ( 1.920 -6.285 7.067) 9.650 11.162 ( 3.275 0.104 0.022) 3.276 11.327 ( -0.956 3.839 0.534) 3.992 11.401 ( -6.405 4.822 -2.005) 8.264 11.749 ( 1.659 -8.149 -5.265) 9.842 11.877 ( 9.103 -2.880 10.260) 14.015 12.079 ( 6.625 2.732 5.554) 9.066 12.289 ( 2.672 6.337 3.032) 7.516 12.425 ( 5.459 1.970 6.959) 9.061 12.683 ( 5.927 1.095 4.185) 7.338 12.864 ( 17.163 -9.111 13.512) 23.667 12.964 ( 6.776 -2.767 1.460) 7.464 13.221 ( -0.033 -9.758 0.036) 9.758 13.395 ( 2.224 1.011 -2.299) 3.354 13.460 ( 8.436 1.004 -7.944) 11.631 13.750 ( 12.263 -11.242 3.577) 17.016 13.931 ( -3.138 -7.325 -18.012) 19.696 13.994 ( 4.420 -5.803 -5.535) 9.157 14.554 ( 6.170 5.877 4.325) 9.556 14.632 ( 2.960 5.328 1.270) 6.226 14.830 ( 4.089 -2.342 -8.555) 9.767 14.890 ( -2.183 0.209 -0.229) 2.205 15.356 ( -11.745 8.533 -4.930) 15.332 15.494 ( -6.209 2.922 -2.641) 7.353 15.587 ( -18.948 -3.725 -5.314) 20.029 15.788 ( -13.369 -2.605 6.217) 14.972 16.179 ( 4.026 -7.859 -1.612) 8.976 16.457 ( -2.944 -5.245 -5.246) 7.981 16.523 ( -11.405 -6.683 0.854) 13.247 16.687 ( 1.528 -6.271 -1.300) 6.584 16.745 ( -5.549 4.372 -1.518) 7.226 17.045 ( -1.658 1.440 4.144) 4.690 17.294 ( -4.942 3.027 3.903) 6.987 17.334 ( -4.089 -5.206 2.477) 7.068 17.741 ( -1.894 7.614 9.485) 12.309 17.940 ( 6.184 3.210 2.446) 7.384 18.044 ( 2.543 8.527 2.035) 9.128 18.401 ( 7.944 -3.348 -0.432) 8.631 18.427 ( 3.255 -1.419 -2.492) 4.338 18.788 ( -13.271 -3.501 -6.487) 15.181 19.008 ( -8.867 7.208 -4.267) 12.198 19.258 ( -9.426 3.065 -3.346) 10.461 21.751 ( 7.768 8.744 0.367) 11.702 21.943 ( 4.447 5.427 -4.329) 8.244 22.281 ( 5.752 -0.721 4.368) 7.258 22.497 ( 7.555 -3.537 -3.414) 9.014 27.383 ( -6.277 2.106 0.938) 6.687 27.640 ( -25.937 -5.945 -12.905) 29.573 27.713 ( -2.755 -4.794 -2.880) 6.235 28.095 ( -14.578 -6.241 2.092) 15.995 29.851 ( -0.511 1.435 1.096) 1.877 29.956 ( 1.367 0.572 0.992) 1.783 30.022 ( -5.246 1.232 -0.428) 5.405 30.219 ( -4.918 -0.177 -0.445) 4.941 30.945 ( -0.007 9.245 -2.713) 9.635 30.987 ( 0.797 4.099 -2.829) 5.044 31.676 ( 0.759 1.273 1.223) 1.922 31.687 ( 2.720 1.444 -2.106) 3.731 32.248 ( -3.604 3.568 2.405) 5.613 32.309 ( -2.910 4.133 -1.666) 5.323 32.449 ( -4.380 1.058 4.681) 6.497 32.570 ( 1.108 -0.441 4.392) 4.551 32.880 ( -0.494 3.907 8.795) 9.637 33.318 ( 2.573 1.535 -9.987) 10.427 33.574 ( 4.487 0.942 4.737) 6.593 33.923 ( -6.248 3.118 -1.823) 7.217 34.129 ( -1.020 -0.854 -3.726) 3.957 34.244 ( 13.209 -6.254 7.941) 16.633 34.551 ( -4.880 -3.070 0.099) 5.766 34.656 ( -3.277 -1.819 -9.434) 10.152 35.871 ( 3.802 4.653 19.117) 20.039 36.755 ( -0.666 -11.803 -2.244) 12.033 36.975 ( 10.906 -2.713 -0.857) 11.271 37.221 ( 13.435 -4.584 -3.060) 14.522 ======================= Grid point 112 (59/88) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 2.752 12.047 11.735) 17.041 2.366 ( -4.447 24.236 15.987) 29.373 2.438 ( 0.055 -6.171 -5.104) 8.008 2.680 ( 1.311 0.909 1.883) 2.468 2.785 ( 1.782 1.220 2.981) 3.681 2.966 ( 4.153 5.442 2.927) 7.445 3.061 ( 4.590 9.684 -4.657) 11.685 3.417 ( 2.963 2.228 0.304) 3.720 3.526 ( 4.755 4.212 10.760) 12.495 3.708 ( 2.273 -0.725 -5.614) 6.100 3.790 ( 2.101 -0.924 12.878) 13.081 3.975 ( -2.903 -18.051 0.775) 18.299 4.139 ( 1.567 5.722 1.029) 6.022 4.217 ( 7.599 -12.402 4.302) 15.168 4.405 ( 0.900 6.756 18.484) 19.701 4.424 ( -2.949 -1.259 -1.648) 3.605 4.731 ( -1.399 -2.057 7.445) 7.849 4.819 ( -6.337 -1.698 -3.035) 7.229 4.919 ( 0.727 -4.096 3.960) 5.744 4.968 ( -3.022 -1.379 0.922) 3.448 5.186 ( -3.220 -1.751 -4.740) 5.992 5.281 ( 5.516 -0.044 1.639) 5.755 5.424 ( -0.673 -1.546 -3.871) 4.222 5.639 ( 0.934 -1.340 -18.022) 18.096 5.704 ( 1.512 1.523 1.355) 2.538 5.911 ( 7.721 -3.058 -2.000) 8.542 6.021 ( -7.394 6.551 -12.300) 15.776 6.190 ( -7.253 2.576 -9.270) 12.049 6.254 ( -3.600 2.330 -0.527) 4.321 6.384 ( -9.562 -3.497 0.269) 10.185 6.735 ( -0.645 8.243 -0.477) 8.282 6.793 ( -3.947 3.952 -0.034) 5.586 7.009 ( -12.604 -5.292 5.201) 14.626 7.094 ( 1.996 -5.894 0.071) 6.223 7.129 ( 0.299 2.058 -3.806) 4.337 7.292 ( -1.427 0.296 -1.417) 2.032 7.404 ( 4.419 2.082 0.878) 4.963 7.527 ( 4.808 -2.820 -3.446) 6.553 7.712 ( 0.593 7.128 0.872) 7.206 7.968 ( 7.035 4.577 -7.414) 11.199 8.220 ( -0.142 1.067 4.552) 4.678 8.262 ( -4.063 -0.406 -0.084) 4.084 8.426 ( -2.924 1.310 5.807) 6.632 8.578 ( 0.914 -0.689 -0.488) 1.244 8.698 ( -8.043 3.887 2.512) 9.279 8.898 ( 5.760 -4.765 -1.700) 7.666 9.108 ( 2.908 3.312 6.738) 8.051 9.193 ( -1.227 -1.821 0.547) 2.263 9.368 ( -4.976 2.894 7.470) 9.430 9.568 ( 0.073 -5.086 -1.806) 5.398 9.661 ( -3.523 -3.568 15.220) 16.025 9.791 ( 3.315 9.158 -0.257) 9.743 10.043 ( 0.414 -3.012 0.237) 3.050 10.210 ( 0.072 4.068 -1.151) 4.228 10.379 ( 4.290 1.283 -8.399) 9.518 10.461 ( 3.676 -5.030 -4.100) 7.458 10.599 ( 6.118 0.050 -5.201) 8.030 10.827 ( 2.680 -3.030 1.800) 4.428 11.088 ( -5.634 4.983 -3.255) 8.195 11.275 ( 0.856 1.013 4.434) 4.629 11.322 ( -2.508 -3.301 -7.353) 8.441 11.485 ( 9.092 -1.334 14.025) 16.767 11.588 ( 1.163 -2.145 -4.589) 5.197 12.024 ( -3.892 -2.214 -3.734) 5.830 12.144 ( 4.530 -2.645 12.752) 13.789 12.364 ( -1.249 1.973 3.925) 4.567 12.543 ( -2.460 -7.695 11.727) 14.240 12.815 ( 7.374 -17.469 -0.535) 18.969 12.982 ( 0.920 -0.349 1.632) 1.906 12.994 ( -1.615 -0.203 4.661) 4.937 13.066 ( 2.096 0.653 -1.602) 2.718 13.243 ( -2.088 -7.086 -5.914) 9.463 13.423 ( -3.251 -1.238 3.102) 4.661 13.499 ( -5.360 -0.140 -8.746) 10.258 13.648 ( 0.694 -1.538 -20.766) 20.835 13.885 ( 2.324 -11.372 -23.482) 26.194 14.695 ( -5.308 3.180 3.460) 7.089 14.730 ( -6.680 1.439 4.927) 8.424 14.929 ( 6.984 3.990 -2.790) 8.514 14.979 ( 9.316 3.286 -1.802) 10.041 15.282 ( -10.951 1.553 1.082) 11.113 15.348 ( 4.058 -1.528 0.869) 4.422 15.430 ( -7.456 2.084 -2.185) 8.044 15.533 ( 3.388 -5.234 0.054) 6.235 16.076 ( 0.809 0.687 2.509) 2.724 16.191 ( -1.674 -3.676 -4.173) 5.808 16.372 ( 1.607 2.410 -4.599) 5.435 16.514 ( 0.329 -3.243 -9.044) 9.614 16.990 ( 5.095 3.876 9.770) 11.681 17.118 ( 0.702 0.563 4.410) 4.500 17.242 ( -2.040 0.585 4.716) 5.171 17.308 ( 4.492 -2.063 1.803) 5.262 17.909 ( -2.329 3.410 4.071) 5.799 18.119 ( 0.661 -3.956 -2.843) 4.916 18.195 ( 1.301 1.396 1.509) 2.433 18.316 ( -7.779 -5.138 -3.276) 9.881 18.395 ( 6.303 5.654 5.731) 10.225 18.575 ( 4.473 -0.656 -0.438) 4.542 19.070 ( -5.866 9.505 2.313) 11.406 19.252 ( -1.827 2.332 -4.775) 5.620 22.058 ( 1.197 7.761 -0.359) 7.861 22.102 ( -1.172 9.250 -2.766) 9.726 22.326 ( -1.158 -3.654 3.511) 5.198 22.456 ( 1.118 -6.190 -2.637) 6.821 27.377 ( 2.709 5.143 0.684) 5.853 27.402 ( -2.955 5.379 -0.479) 6.156 27.661 ( 7.162 -6.930 1.023) 10.018 27.706 ( -7.525 -7.466 -1.087) 10.656 29.902 ( 0.608 1.853 0.805) 2.110 29.941 ( -1.589 0.404 -1.052) 1.948 30.068 ( 2.794 1.415 2.166) 3.808 30.128 ( -1.374 -0.913 -0.811) 1.838 31.062 ( 0.255 3.986 -1.282) 4.195 31.082 ( 0.219 4.134 -1.989) 4.593 31.705 ( -1.289 1.819 -0.590) 2.306 31.735 ( 1.274 0.382 -1.688) 2.149 32.290 ( -2.947 4.221 2.372) 5.668 32.358 ( -0.447 2.808 1.331) 3.139 32.467 ( -2.074 2.859 4.866) 6.012 32.597 ( 2.282 -2.275 1.583) 3.590 33.080 ( 0.997 6.280 10.611) 12.370 33.334 ( 1.589 -1.463 1.041) 2.398 33.714 ( 0.887 3.338 -1.065) 3.615 33.858 ( -3.664 2.800 -4.150) 6.204 34.045 ( -1.226 -0.710 -1.393) 1.988 34.242 ( 3.688 -6.484 -1.928) 7.705 34.406 ( -1.418 -2.084 -0.695) 2.615 34.520 ( 2.009 -5.557 -4.968) 7.720 36.139 ( 0.410 2.728 12.643) 12.941 36.436 ( -5.641 -10.563 4.251) 12.707 37.032 ( 0.406 0.397 -4.168) 4.206 37.211 ( 4.510 -6.513 -9.230) 12.163 ======================= Grid point 113 (60/88) ======================= q-point: ( 0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 3.325 2.144 8.331) 9.223 2.392 ( 0.439 -4.429 -6.151) 7.592 2.622 ( 13.217 11.112 8.182) 19.108 2.722 ( 0.331 0.462 2.044) 2.121 2.834 ( 4.961 6.602 1.310) 8.362 3.128 ( 7.019 6.986 7.037) 12.149 3.203 ( 11.839 7.549 -3.393) 14.445 3.436 ( 2.354 -2.179 -7.765) 8.402 3.633 ( -2.387 3.818 -10.729) 11.635 3.654 ( 0.855 -3.018 1.277) 3.387 3.838 ( 8.198 5.260 -1.968) 9.937 4.016 ( -1.579 3.199 1.079) 3.728 4.259 ( -0.354 -11.446 -4.222) 12.205 4.322 ( 5.597 1.170 5.415) 7.875 4.489 ( 9.904 -5.499 4.880) 12.334 4.677 ( 1.038 8.717 24.316) 25.852 4.737 ( 11.764 -8.643 -4.992) 15.427 4.866 ( -1.398 1.852 2.616) 3.497 4.908 ( 9.624 -3.611 1.600) 10.403 5.099 ( 0.670 -0.187 -5.759) 5.801 5.180 ( 6.533 -0.110 11.590) 13.305 5.268 ( -4.163 -3.080 -5.590) 7.620 5.429 ( 6.832 -3.329 -1.237) 7.700 5.501 ( 3.000 3.352 -6.037) 7.528 5.751 ( -7.138 1.412 -11.290) 13.431 5.826 ( 3.439 2.361 -10.743) 11.524 5.974 ( 1.087 2.187 2.474) 3.476 6.083 ( 3.261 0.231 0.194) 3.275 6.203 ( -9.773 -4.677 2.255) 11.066 6.275 ( 3.021 -0.971 7.424) 8.074 6.626 ( -9.892 4.831 1.608) 11.125 6.693 ( -17.607 0.509 8.896) 19.733 6.784 ( 3.074 6.812 1.474) 7.617 7.120 ( -1.756 -3.923 4.979) 6.577 7.224 ( 6.510 -4.441 -3.183) 8.499 7.327 ( 4.945 -0.646 0.543) 5.016 7.463 ( -1.589 -3.840 -1.934) 4.584 7.586 ( 4.286 -4.164 -5.249) 7.954 7.756 ( 3.149 9.152 1.762) 9.838 8.065 ( 6.349 2.400 -3.057) 7.444 8.099 ( -8.862 4.230 -2.818) 10.216 8.250 ( -1.104 1.000 5.273) 5.479 8.452 ( 1.095 6.598 5.971) 8.966 8.533 ( -3.910 -0.381 -1.794) 4.319 8.613 ( -1.845 3.358 0.908) 3.937 9.028 ( 5.997 -7.457 2.115) 9.800 9.158 ( -0.558 -1.316 -2.046) 2.495 9.216 ( 0.117 1.597 4.514) 4.789 9.294 ( -7.185 2.897 5.325) 9.401 9.519 ( -2.273 0.809 -2.693) 3.615 9.675 ( -7.511 -8.007 14.330) 18.052 9.819 ( 1.181 9.929 -3.268) 10.519 10.015 ( -4.340 -7.714 1.167) 8.928 10.199 ( 0.459 8.830 -1.701) 9.004 10.383 ( 2.131 5.816 -10.201) 11.934 10.436 ( 1.297 -3.129 -12.741) 13.183 10.641 ( -1.603 -6.126 1.072) 6.422 10.891 ( 2.210 -3.496 -2.017) 4.602 10.981 ( -1.855 3.386 7.561) 8.490 11.164 ( -6.105 -5.304 0.255) 8.091 11.355 ( 0.992 2.026 -0.276) 2.273 11.513 ( -2.656 2.677 -8.154) 8.984 11.680 ( -9.871 -0.642 -0.158) 9.893 11.829 ( -0.920 -4.287 -0.909) 4.478 12.248 ( -1.313 0.950 4.968) 5.226 12.358 ( -3.215 -0.574 4.000) 5.164 12.464 ( -10.075 -5.872 4.908) 12.652 12.845 ( -1.003 -4.961 -9.524) 10.786 12.891 ( -4.496 -8.865 -2.254) 10.192 12.978 ( -6.887 -6.896 6.693) 11.823 13.078 ( -1.338 1.959 -0.152) 2.378 13.224 ( 0.315 0.334 -2.447) 2.490 13.376 ( 0.427 -6.302 4.616) 7.823 13.387 ( -1.759 -7.443 -4.115) 8.684 13.491 ( -1.092 2.504 -6.611) 7.154 13.706 ( -3.632 -7.103 -9.371) 12.306 14.620 ( -5.525 0.076 2.100) 5.911 14.629 ( -4.473 0.595 0.808) 4.584 14.967 ( -9.565 3.866 -2.845) 10.702 15.041 ( -2.777 0.113 -4.620) 5.391 15.218 ( 10.354 2.336 4.717) 11.615 15.361 ( 8.196 -1.410 3.148) 8.892 15.610 ( 16.794 2.166 -0.828) 16.953 15.687 ( 4.970 -0.830 5.155) 7.208 16.114 ( 5.610 -0.142 -4.725) 7.336 16.295 ( 6.327 -4.225 4.103) 8.644 16.414 ( 4.900 0.150 -4.877) 6.915 16.529 ( 9.927 -6.601 -6.480) 13.569 17.074 ( -3.125 3.018 -2.074) 4.814 17.164 ( 2.468 3.803 3.335) 5.628 17.229 ( -0.807 1.446 2.574) 3.061 17.444 ( 5.622 -2.598 -0.407) 6.207 17.881 ( -3.445 1.513 3.746) 5.309 18.091 ( -0.910 -5.689 -1.287) 5.903 18.229 ( 4.525 2.452 -2.373) 5.668 18.363 ( 7.284 2.577 5.346) 9.396 18.528 ( 2.345 4.998 1.300) 5.672 18.574 ( 1.329 -0.621 -9.194) 9.310 19.003 ( -4.425 8.055 6.685) 11.365 19.237 ( 3.993 -0.134 -0.357) 4.011 21.970 ( -8.620 7.271 -0.905) 11.313 22.015 ( -7.230 7.890 0.539) 10.715 22.269 ( -5.629 -2.686 2.752) 6.817 22.387 ( -5.166 -5.111 -3.133) 7.914 27.399 ( 4.128 2.631 -0.042) 4.895 27.527 ( 4.719 1.579 1.278) 5.137 27.642 ( 6.799 -1.680 -3.249) 7.721 27.916 ( 15.514 -9.657 1.454) 18.332 29.901 ( -0.563 0.925 0.058) 1.084 29.932 ( 0.464 0.107 0.396) 0.619 30.118 ( 2.303 1.722 -0.902) 3.014 30.186 ( 6.124 -0.597 0.839) 6.210 31.058 ( 0.263 5.035 -0.890) 5.120 31.076 ( 0.434 4.154 -1.328) 4.383 31.662 ( -2.476 2.212 -0.280) 3.333 31.734 ( -0.269 -0.519 -1.174) 1.311 32.268 ( -1.425 4.454 3.231) 5.684 32.380 ( 0.516 2.205 3.314) 4.014 32.490 ( 1.286 4.363 3.661) 5.839 32.664 ( 3.825 -2.262 -0.373) 4.460 33.160 ( -0.952 5.139 5.874) 7.863 33.334 ( -1.362 1.585 -3.357) 3.954 33.661 ( -4.069 1.837 0.523) 4.495 33.829 ( 1.776 -3.616 -0.040) 4.029 34.057 ( 1.680 2.592 0.615) 3.150 34.248 ( 2.613 0.618 -6.701) 7.219 34.411 ( 1.509 -3.386 1.703) 4.079 34.582 ( 6.462 -6.943 -3.724) 10.190 36.211 ( -3.186 -2.755 12.427) 13.122 36.320 ( -8.636 -7.050 3.523) 11.692 36.897 ( -9.137 3.062 -5.527) 11.109 37.157 ( -2.759 -7.699 -7.585) 11.154 ======================= Grid point 114 (61/88) ======================= q-point: ( 0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 0.403 -1.543 2.132) 2.663 2.388 ( 1.420 -5.428 -0.124) 5.612 2.689 ( -2.020 0.082 -2.839) 3.486 2.712 ( -1.931 -0.877 0.045) 2.122 3.002 ( 1.808 2.385 -6.955) 7.572 3.294 ( -2.257 6.543 3.307) 7.671 3.319 ( 2.609 5.409 7.560) 9.655 3.442 ( 5.474 -11.425 -9.209) 15.662 3.591 ( 8.654 17.037 -9.456) 21.321 3.774 ( 11.878 3.559 -2.442) 12.638 3.925 ( 8.219 9.680 2.585) 12.959 4.084 ( 6.842 3.112 -4.441) 8.731 4.332 ( 6.533 0.992 -1.265) 6.727 4.427 ( 1.681 2.103 1.305) 2.991 4.655 ( 2.907 -13.108 -8.776) 16.040 4.694 ( 1.454 -6.234 1.839) 6.660 4.880 ( 3.583 -1.782 2.178) 4.555 4.969 ( 5.154 3.131 -2.802) 6.650 5.021 ( -3.211 -1.411 0.611) 3.560 5.169 ( 7.974 -3.839 -0.094) 8.851 5.227 ( 9.320 8.340 2.780) 12.812 5.307 ( -1.988 4.581 -9.132) 10.408 5.503 ( 2.126 -0.331 -5.784) 6.172 5.605 ( 0.949 2.060 10.829) 11.064 5.708 ( 8.960 -5.505 0.469) 10.526 5.863 ( 7.737 3.420 -4.483) 9.574 6.043 ( 3.886 1.379 -5.555) 6.918 6.067 ( -3.902 -4.422 8.798) 10.592 6.189 ( 5.099 5.794 10.118) 12.726 6.438 ( -12.224 0.187 12.765) 17.675 6.532 ( -1.706 -0.182 8.508) 8.679 6.566 ( 10.703 -3.142 9.495) 14.648 6.886 ( 3.765 5.381 4.083) 7.733 7.123 ( -0.395 -4.359 2.942) 5.274 7.251 ( -1.079 -1.880 -2.902) 3.622 7.343 ( -5.842 -10.530 0.020) 12.042 7.479 ( 4.406 1.482 8.603) 9.779 7.610 ( 3.786 -5.403 -2.705) 7.131 7.803 ( -1.373 9.623 -0.450) 9.731 7.932 ( -5.130 5.055 -0.170) 7.204 8.154 ( 2.331 2.410 2.071) 3.941 8.295 ( -0.600 0.423 7.664) 7.699 8.429 ( -1.552 1.425 -6.871) 7.187 8.496 ( -2.257 0.570 0.358) 2.356 8.652 ( 3.213 5.047 6.951) 9.171 9.059 ( -7.920 1.164 0.670) 8.033 9.116 ( -4.364 2.764 4.947) 7.153 9.184 ( -5.086 -3.727 4.023) 7.480 9.214 ( 0.368 -5.674 -3.497) 6.676 9.453 ( -1.798 5.293 -6.986) 8.948 9.574 ( -7.087 -7.314 3.106) 10.648 9.789 ( -3.215 5.298 -2.577) 6.712 9.902 ( -7.498 -7.828 0.242) 10.842 10.165 ( -2.403 1.342 -0.530) 2.803 10.273 ( -2.761 3.800 -7.252) 8.640 10.401 ( 5.115 2.344 -12.850) 14.028 10.624 ( -0.568 -4.882 2.927) 5.720 10.895 ( 2.911 -6.460 -9.696) 12.009 11.068 ( -0.599 0.222 11.107) 11.125 11.100 ( -4.518 -4.613 6.351) 9.057 11.203 ( -10.247 7.951 -14.731) 19.627 11.338 ( -4.230 0.521 -10.919) 11.721 11.482 ( 0.797 4.697 0.047) 4.764 11.853 ( -3.308 -3.184 1.568) 4.852 12.186 ( -5.885 1.838 -8.283) 10.326 12.267 ( -6.121 -3.523 5.060) 8.688 12.325 ( -7.157 -2.502 2.341) 7.935 12.707 ( -6.139 0.613 -13.526) 14.867 12.752 ( -9.508 -3.995 3.604) 10.925 12.802 ( -5.809 -12.553 -3.445) 14.254 13.031 ( -0.416 2.747 -1.299) 3.067 13.213 ( -0.694 -2.060 -4.416) 4.922 13.391 ( 4.992 0.058 8.527) 9.881 13.517 ( 1.209 -0.578 5.275) 5.442 13.552 ( 4.402 0.348 4.689) 6.441 13.641 ( 3.858 -14.568 3.365) 15.441 14.517 ( -5.226 -0.376 1.072) 5.348 14.571 ( -0.356 -3.425 -3.364) 4.813 14.779 ( -5.464 4.479 -1.038) 7.141 14.922 ( -5.890 -1.512 -2.670) 6.641 15.466 ( 6.253 1.155 5.657) 8.511 15.554 ( 5.275 -0.565 6.219) 8.175 15.883 ( 10.210 4.725 6.821) 13.157 15.954 ( 18.066 2.933 -0.852) 18.322 16.227 ( 8.681 -0.191 -5.624) 10.345 16.413 ( 4.241 -3.612 1.849) 5.870 16.470 ( 3.793 -0.424 -1.450) 4.083 16.688 ( 6.169 -13.541 -6.652) 16.299 16.967 ( -2.555 6.375 -3.331) 7.633 17.201 ( 0.313 6.010 0.503) 6.039 17.225 ( -1.490 -3.656 1.927) 4.393 17.491 ( 0.746 -3.956 -1.512) 4.300 17.840 ( -3.222 1.294 2.224) 4.123 18.005 ( -6.448 -3.382 -2.665) 7.754 18.366 ( -3.055 4.857 -3.813) 6.890 18.391 ( 4.383 5.622 -11.297) 13.359 18.480 ( 4.026 5.098 -1.334) 6.631 18.722 ( 8.789 -3.960 6.799) 11.796 19.043 ( 3.338 10.915 8.821) 14.426 19.402 ( 10.280 -2.687 2.867) 11.005 21.755 ( -11.142 4.564 -0.968) 12.079 21.815 ( -13.190 3.489 2.017) 13.792 22.191 ( -3.462 -0.765 1.363) 3.798 22.256 ( -4.362 -2.413 -2.750) 5.694 27.530 ( 5.445 0.049 3.667) 6.565 27.591 ( 4.602 -2.344 1.548) 5.391 27.850 ( 12.148 2.967 -2.505) 12.753 28.220 ( 13.520 -13.215 -1.193) 18.943 29.903 ( 0.624 0.597 -0.057) 0.865 29.939 ( -0.119 -0.879 0.351) 0.954 30.179 ( 3.985 2.973 -0.556) 5.003 30.309 ( 5.242 -2.150 -0.129) 5.667 31.061 ( 0.649 5.684 -0.551) 5.747 31.077 ( 0.427 3.986 -0.794) 4.087 31.615 ( -1.852 2.639 0.294) 3.237 31.711 ( -0.967 -0.783 -1.069) 1.640 32.284 ( -0.427 4.758 4.923) 6.860 32.418 ( -0.172 0.611 5.152) 5.191 32.574 ( 4.323 5.884 2.315) 7.659 32.725 ( 2.842 -1.099 -3.255) 4.459 33.119 ( -3.963 4.341 -0.172) 5.881 33.247 ( -2.578 1.815 -5.777) 6.581 33.598 ( -3.148 2.176 0.527) 3.863 33.874 ( -1.293 -8.212 4.204) 9.315 34.096 ( 3.891 5.627 -1.626) 7.031 34.277 ( 4.485 3.729 -3.899) 7.016 34.499 ( 4.653 -2.597 2.743) 5.993 34.675 ( 5.241 -5.225 -3.239) 8.078 36.151 ( -9.608 -4.103 6.100) 12.098 36.245 ( -4.419 -6.950 11.020) 13.757 36.647 ( -9.291 5.847 -7.769) 13.448 37.004 ( -5.498 -9.433 -8.343) 13.741 ======================= Grid point 115 (62/88) ======================= q-point: (-0.57 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 0.611 -0.552 2.895) 3.010 2.413 ( 0.593 -6.013 2.753) 6.640 2.600 ( -3.658 1.257 -5.060) 6.369 2.661 ( -1.942 -1.650 -2.573) 3.621 2.927 ( -2.981 5.360 0.489) 6.152 3.142 ( -6.382 5.915 -5.572) 10.333 3.333 ( -0.419 0.046 0.377) 0.566 3.524 ( 7.362 -5.875 -10.924) 14.424 3.735 ( -4.697 8.567 2.026) 9.978 3.914 ( -2.172 5.295 0.942) 5.800 4.042 ( 9.891 7.776 -1.032) 12.624 4.205 ( 8.966 7.212 -13.904) 18.048 4.427 ( 0.434 -1.292 0.667) 1.517 4.487 ( 8.835 2.709 -0.899) 9.284 4.651 ( 5.450 -12.924 -2.611) 14.267 4.740 ( 0.977 1.517 4.611) 4.952 4.857 ( -7.335 1.873 3.898) 8.515 4.996 ( -1.730 0.705 -0.519) 1.939 5.046 ( 0.172 1.300 -1.130) 1.731 5.136 ( 1.674 7.999 -5.453) 9.824 5.250 ( -1.005 -3.126 0.688) 3.354 5.442 ( 6.375 -3.260 -5.560) 9.065 5.519 ( -0.747 3.801 -0.763) 3.948 5.694 ( 4.671 3.400 1.807) 6.053 5.854 ( -3.796 -3.565 -1.314) 5.371 5.897 ( 2.405 -2.663 -4.854) 6.036 6.088 ( 5.242 -0.842 3.003) 6.099 6.219 ( 10.421 -1.167 5.423) 11.805 6.298 ( -5.541 3.166 13.491) 14.924 6.389 ( 5.015 0.688 6.355) 8.125 6.609 ( 1.894 0.057 8.854) 9.055 6.858 ( 4.852 -5.691 6.185) 9.705 6.910 ( -3.488 2.795 1.025) 4.586 7.119 ( -2.313 -7.012 0.522) 7.402 7.248 ( -3.016 0.100 8.871) 9.370 7.349 ( 8.544 -3.295 2.076) 9.389 7.584 ( -3.189 3.269 9.711) 10.731 7.663 ( 1.414 0.591 -1.696) 2.286 7.815 ( 3.443 3.710 8.584) 9.965 7.888 ( 1.401 1.949 -1.748) 2.969 8.181 ( -1.610 1.280 4.231) 4.705 8.274 ( -5.161 1.306 4.082) 6.709 8.343 ( -1.196 4.021 -4.756) 6.341 8.496 ( 0.224 -0.253 4.116) 4.130 8.734 ( 0.520 1.335 2.682) 3.040 8.881 ( -9.497 -0.324 3.992) 10.307 9.058 ( -5.448 -3.080 0.376) 6.270 9.102 ( -3.657 1.746 7.508) 8.532 9.164 ( -1.404 -6.057 -6.924) 9.306 9.349 ( -2.336 5.039 -8.332) 10.014 9.518 ( -0.358 -7.371 -1.924) 7.626 9.663 ( -1.237 -2.791 -9.583) 10.058 9.767 ( -5.923 -0.367 2.237) 6.342 10.144 ( -2.602 -2.516 4.359) 5.666 10.241 ( 4.594 2.632 -3.496) 6.345 10.404 ( 5.647 0.161 -12.774) 13.968 10.645 ( -0.088 -0.624 2.457) 2.536 10.781 ( -6.112 7.570 -16.321) 19.001 10.947 ( 3.457 -12.878 -14.715) 19.858 11.065 ( -2.926 -3.522 6.138) 7.658 11.130 ( -2.983 3.402 5.093) 6.813 11.308 ( 4.498 7.870 -1.056) 9.126 11.510 ( -2.250 -2.600 2.376) 4.179 11.783 ( -1.096 -2.068 -1.534) 2.798 11.927 ( -7.074 1.144 -11.404) 13.468 12.197 ( -4.154 -7.634 0.083) 8.691 12.248 ( -2.751 4.266 1.392) 5.264 12.455 ( -9.005 0.905 -7.305) 11.630 12.603 ( -4.039 -1.612 -1.056) 4.475 12.767 ( 2.983 -6.798 -5.490) 9.233 13.042 ( 1.948 1.883 -0.885) 2.850 13.148 ( -2.927 0.681 -3.120) 4.332 13.526 ( -0.158 1.999 5.875) 6.208 13.612 ( 4.415 0.960 6.044) 7.546 13.648 ( 3.617 -3.420 11.161) 12.220 13.874 ( 9.607 -12.919 7.547) 17.780 14.456 ( -1.859 0.419 0.852) 2.087 14.560 ( 2.244 -3.740 -4.399) 6.194 14.710 ( -1.990 0.705 -0.868) 2.283 14.790 ( -3.981 -1.075 -3.068) 5.140 15.563 ( 0.809 -1.052 7.315) 7.434 15.670 ( 0.793 -2.747 6.494) 7.096 16.076 ( 2.714 6.333 6.028) 9.155 16.249 ( 4.452 5.799 -2.446) 7.709 16.317 ( 9.500 0.438 -4.100) 10.356 16.499 ( 2.783 -1.964 -2.501) 4.226 16.515 ( 1.196 -1.611 -1.247) 2.362 16.653 ( 0.961 -8.365 -9.471) 12.673 16.940 ( -0.966 4.419 2.762) 5.299 17.191 ( -0.201 2.896 -2.978) 4.158 17.263 ( 0.946 -3.859 7.668) 8.636 17.481 ( -0.287 -5.382 -1.335) 5.552 17.785 ( -3.058 1.219 -0.686) 3.363 17.876 ( -2.482 -1.837 1.034) 3.257 18.180 ( -7.167 2.099 -10.427) 12.825 18.246 ( -4.330 -0.621 -11.610) 12.407 18.705 ( 9.745 9.021 4.976) 14.181 18.853 ( -0.692 2.479 4.524) 5.205 19.278 ( 10.948 9.636 8.951) 17.113 19.589 ( 4.318 -0.848 1.027) 4.518 21.574 ( -4.660 0.791 -0.992) 4.830 21.589 ( -9.205 0.842 1.235) 9.325 22.157 ( -0.890 -0.219 0.824) 1.232 22.194 ( -0.219 -1.270 -1.586) 2.043 27.614 ( 0.568 1.716 4.845) 5.171 27.738 ( 5.668 -3.649 2.617) 7.231 28.031 ( 6.402 0.181 0.940) 6.473 28.390 ( 5.395 -16.029 -4.733) 17.562 29.915 ( 0.339 0.588 -0.006) 0.679 29.938 ( -0.098 -0.232 0.106) 0.273 30.249 ( 2.692 1.686 0.676) 3.247 30.362 ( 0.343 -2.634 -1.547) 3.073 31.074 ( 0.953 5.108 -0.504) 5.221 31.079 ( 0.397 3.790 -0.651) 3.866 31.605 ( 0.332 2.784 1.074) 3.002 31.689 ( -0.089 -0.244 -1.253) 1.280 32.322 ( -0.562 5.049 6.827) 8.510 32.451 ( -0.872 0.202 5.523) 5.595 32.650 ( 1.570 3.683 -1.928) 4.444 32.683 ( -2.541 0.504 -7.701) 8.125 33.071 ( -2.202 5.549 5.067) 7.830 33.207 ( 2.393 0.955 -0.274) 2.591 33.536 ( -1.737 3.521 -3.070) 4.984 33.798 ( -4.856 -5.461 -4.870) 8.782 34.211 ( 5.853 5.427 2.523) 8.371 34.329 ( 1.342 4.466 -0.606) 4.703 34.588 ( 1.645 -2.697 2.420) 3.979 34.730 ( 2.896 -4.055 -3.531) 6.107 36.023 ( -9.592 -0.771 9.382) 13.440 36.254 ( -2.766 -9.734 10.379) 14.496 36.472 ( -0.028 5.527 -9.557) 11.040 36.848 ( -1.901 -9.879 -10.318) 14.411 ======================= Grid point 116 (63/88) ======================= q-point: (-0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -1.956 3.253 7.990) 8.846 2.457 ( -6.142 3.169 -5.976) 9.137 2.477 ( 3.138 -2.390 1.929) 4.391 2.607 ( -0.512 -2.989 -3.695) 4.781 2.915 ( -1.138 7.988 5.301) 9.654 3.035 ( -3.358 5.495 -0.797) 6.489 3.322 ( -3.758 -1.906 -2.308) 4.805 3.367 ( -14.992 15.988 6.136) 22.760 3.584 ( 0.023 -2.445 -10.809) 11.082 3.906 ( -5.272 -4.673 6.135) 9.342 4.108 ( 4.498 -6.751 -15.654) 17.631 4.252 ( -1.807 7.239 1.965) 7.716 4.432 ( -5.364 -10.297 -7.076) 13.597 4.513 ( 11.502 0.397 -7.645) 13.817 4.702 ( -5.979 13.131 1.578) 14.514 4.735 ( -12.753 2.453 -2.084) 13.153 4.861 ( 5.708 2.904 7.784) 10.080 4.936 ( -6.784 1.625 1.406) 7.116 5.036 ( 4.911 -5.518 1.115) 7.471 5.099 ( -8.252 2.394 2.558) 8.965 5.232 ( -2.932 1.838 1.155) 3.648 5.411 ( -1.271 1.364 -8.739) 8.935 5.526 ( -2.958 -1.060 6.800) 7.491 5.613 ( -1.969 3.122 -1.902) 4.152 5.755 ( -3.048 -0.353 2.403) 3.897 5.831 ( -7.743 -5.285 0.076) 9.375 6.229 ( 0.160 -1.521 -0.383) 1.577 6.335 ( 7.163 -0.670 -2.714) 7.690 6.481 ( 1.599 0.464 5.785) 6.020 6.503 ( 6.675 -0.294 4.025) 7.800 6.674 ( -2.349 1.987 14.523) 14.845 6.847 ( 0.305 5.466 -3.145) 6.314 6.928 ( 0.272 -2.146 4.032) 4.576 7.089 ( -0.947 -9.372 1.497) 9.538 7.253 ( -6.690 5.599 13.127) 15.762 7.453 ( -0.374 -4.105 1.282) 4.317 7.573 ( 1.027 4.501 -7.516) 8.821 7.733 ( 6.352 -1.244 -5.010) 8.185 7.908 ( 1.638 2.209 2.469) 3.696 7.962 ( 2.593 -1.957 5.447) 6.342 8.131 ( -4.737 3.013 2.897) 6.317 8.219 ( -3.218 2.702 2.670) 4.978 8.384 ( 1.019 -0.362 5.978) 6.075 8.497 ( -2.106 -0.828 0.164) 2.269 8.770 ( 0.577 1.493 6.540) 6.733 8.840 ( 2.511 -0.816 6.805) 7.300 8.975 ( -4.014 -6.113 5.259) 9.008 9.079 ( 4.142 -4.248 -2.196) 6.326 9.173 ( -0.876 4.549 0.515) 4.661 9.255 ( 1.316 2.657 -4.570) 5.447 9.497 ( 1.642 -5.763 -4.117) 7.270 9.589 ( -1.913 -9.837 -4.798) 11.111 9.762 ( 5.165 1.775 -1.507) 5.666 10.125 ( -1.655 -1.098 3.426) 3.960 10.354 ( 7.248 3.935 -4.554) 9.422 10.427 ( 6.058 -2.334 -11.508) 13.213 10.553 ( -1.959 12.799 -14.462) 19.411 10.653 ( 1.590 2.207 -6.060) 6.643 10.876 ( -4.644 -10.786 1.722) 11.869 11.135 ( -0.754 -0.209 1.181) 1.417 11.152 ( 7.025 -6.851 1.265) 9.894 11.381 ( 5.264 7.468 -2.309) 9.424 11.479 ( 0.514 -8.254 6.648) 10.611 11.737 ( 1.760 -2.955 -8.833) 9.479 11.898 ( 3.284 5.963 4.989) 8.440 12.096 ( -3.765 -2.498 -8.656) 9.764 12.203 ( -2.179 0.521 2.767) 3.561 12.288 ( -4.818 0.349 1.655) 5.106 12.586 ( 3.282 1.485 -2.494) 4.382 12.815 ( 6.193 -6.282 -5.053) 10.166 13.050 ( -1.691 -0.108 -2.351) 2.898 13.103 ( 2.104 0.306 0.116) 2.129 13.558 ( -1.189 4.551 4.786) 6.711 13.688 ( 2.008 3.149 0.435) 3.761 13.809 ( 0.662 -5.883 10.075) 11.686 14.060 ( 5.370 -10.250 -1.028) 11.616 14.455 ( 1.024 2.170 1.517) 2.839 14.549 ( 0.194 -1.567 -4.383) 4.658 14.708 ( 4.001 -1.829 -0.689) 4.453 14.752 ( 1.831 -1.741 -2.950) 3.884 15.643 ( -0.137 -2.183 8.155) 8.444 15.717 ( 1.349 -3.555 5.495) 6.682 16.060 ( -9.503 3.709 5.242) 11.469 16.138 ( -8.534 1.594 0.681) 8.708 16.394 ( -3.931 5.006 -10.433) 12.222 16.483 ( -3.410 -2.848 -1.278) 4.623 16.489 ( 4.140 2.429 -5.482) 7.286 16.657 ( 3.838 -4.103 -5.546) 7.894 16.978 ( 0.744 1.474 5.962) 6.187 17.142 ( -2.218 4.047 -4.968) 6.781 17.289 ( -4.827 -6.689 8.292) 11.696 17.450 ( -2.490 -6.099 -0.900) 6.649 17.798 ( 2.767 2.427 4.755) 6.013 17.910 ( 0.588 1.461 0.443) 1.636 18.001 ( 1.220 -0.914 -6.509) 6.685 18.119 ( 1.312 -1.056 -9.171) 9.324 18.774 ( -8.798 8.818 1.000) 12.497 18.896 ( 5.072 3.929 3.119) 7.134 19.475 ( -1.322 4.927 5.809) 7.731 19.551 ( -4.539 2.116 -1.751) 5.305 21.523 ( 2.387 1.684 1.117) 3.127 21.602 ( 7.702 -0.829 0.237) 7.750 22.165 ( 1.176 -0.046 0.031) 1.177 22.213 ( 3.151 -2.027 -1.606) 4.076 27.627 ( -3.350 3.286 4.862) 6.757 27.800 ( -0.107 -2.553 -1.417) 2.922 28.100 ( -2.569 -5.510 5.176) 7.984 28.344 ( -4.823 -16.612 -8.248) 19.164 29.916 ( -0.444 1.157 0.504) 1.338 29.934 ( -0.078 0.640 -0.342) 0.730 30.277 ( -1.939 -0.480 1.266) 2.365 30.309 ( -2.886 -1.766 -1.409) 3.665 31.074 ( 0.002 3.977 -0.794) 4.055 31.094 ( 1.337 3.484 -1.082) 3.885 31.636 ( 1.655 2.505 0.880) 3.129 31.692 ( 1.641 0.736 -1.960) 2.660 32.363 ( -1.553 5.178 8.607) 10.164 32.467 ( -2.208 0.717 5.415) 5.892 32.555 ( -3.330 0.456 -5.223) 6.211 32.596 ( -3.046 -0.163 -5.117) 5.957 33.082 ( -3.311 7.276 6.969) 10.605 33.313 ( 3.534 -1.304 5.576) 6.729 33.507 ( 2.457 5.148 -4.600) 7.328 33.683 ( 1.433 0.131 -8.448) 8.570 34.285 ( -3.734 6.021 0.805) 7.131 34.313 ( 0.000 2.439 1.165) 2.703 34.601 ( -2.060 -2.656 2.429) 4.147 34.731 ( 0.526 -5.316 -4.634) 7.072 35.915 ( -8.326 4.707 10.291) 14.049 36.325 ( 0.813 -12.411 11.330) 16.825 36.511 ( 10.875 3.148 -8.730) 14.297 36.795 ( 5.611 -8.176 -11.261) 15.005 ======================= Grid point 117 (64/88) ======================= q-point: (-0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -12.018 12.581 0.078) 17.399 2.451 ( 0.816 5.610 9.697) 11.233 2.531 ( 2.144 -2.580 -0.806) 3.449 2.608 ( 1.942 -1.831 0.544) 2.724 2.884 ( -12.033 13.462 -1.710) 18.137 2.925 ( -3.577 9.341 6.475) 11.916 3.125 ( -7.871 9.206 8.199) 14.626 3.340 ( -4.496 -4.212 7.745) 9.896 3.496 ( 0.889 3.141 -6.592) 7.356 3.809 ( -9.497 -14.288 4.684) 17.785 3.980 ( -9.903 -12.422 -6.656) 17.224 4.118 ( -8.907 0.333 -2.589) 9.281 4.300 ( -7.652 5.580 0.882) 9.511 4.396 ( -11.373 -6.292 -3.250) 13.398 4.475 ( -10.434 1.408 -6.309) 12.274 4.699 ( 4.248 -0.247 -2.059) 4.727 4.749 ( -8.277 6.380 2.717) 10.798 4.927 ( -5.262 4.462 1.187) 7.000 4.999 ( -2.188 2.427 1.901) 3.781 5.141 ( 0.666 -0.983 5.081) 5.218 5.173 ( 0.291 3.069 4.435) 5.401 5.320 ( -3.168 4.187 -2.383) 5.766 5.435 ( -8.460 -4.187 -3.398) 10.032 5.555 ( 1.342 -5.509 4.340) 7.140 5.729 ( -4.014 -1.782 0.517) 4.422 5.905 ( 8.236 3.205 4.165) 9.770 6.157 ( 1.230 -3.605 -10.530) 11.198 6.387 ( 0.025 1.827 -1.509) 2.370 6.557 ( 0.788 5.161 5.042) 7.258 6.578 ( -0.600 7.386 -5.922) 9.485 6.761 ( -1.216 -0.336 6.489) 6.611 6.875 ( 5.439 -0.791 1.507) 5.700 6.903 ( -2.977 1.746 1.587) 3.799 7.086 ( -2.052 -9.272 4.401) 10.467 7.228 ( -2.211 5.710 4.223) 7.439 7.383 ( -7.224 6.072 -0.873) 9.477 7.495 ( 2.049 -1.771 -10.699) 11.037 7.740 ( -2.192 -7.044 -8.863) 11.531 7.854 ( -4.230 0.630 -8.167) 9.218 8.024 ( -2.258 -1.783 6.404) 7.021 8.126 ( -2.650 1.881 5.348) 6.258 8.239 ( 3.472 0.095 5.391) 6.413 8.378 ( -1.676 -2.739 3.944) 5.086 8.477 ( -0.306 -2.577 1.418) 2.957 8.834 ( -0.029 0.920 6.148) 6.217 8.923 ( -4.332 -0.569 6.297) 7.664 9.026 ( 0.822 5.810 8.664) 10.465 9.122 ( 2.344 -0.589 -2.498) 3.476 9.255 ( 11.423 1.667 2.396) 11.790 9.386 ( 9.637 0.157 1.680) 9.783 9.451 ( -5.192 -1.073 3.579) 6.397 9.584 ( 5.354 -11.569 -5.412) 13.849 9.906 ( 8.633 -2.849 0.199) 9.093 10.135 ( -1.589 -3.937 6.601) 7.848 10.359 ( 4.011 10.759 -13.890) 18.021 10.443 ( 3.456 -4.114 -12.481) 13.588 10.495 ( 4.168 2.175 -11.417) 12.348 10.711 ( 7.699 7.237 3.055) 10.999 10.832 ( -0.545 -4.750 0.117) 4.782 11.091 ( 1.115 -4.988 -4.167) 6.594 11.344 ( 5.881 -2.468 5.232) 8.249 11.469 ( 4.503 6.754 3.003) 8.655 11.586 ( 0.072 -8.115 -0.353) 8.123 11.822 ( 4.491 -0.083 1.548) 4.751 11.904 ( 3.412 2.982 -4.485) 6.376 12.101 ( 9.117 -4.457 7.095) 12.383 12.250 ( 1.307 -3.171 6.138) 7.032 12.288 ( 4.263 0.136 5.580) 7.023 12.658 ( 5.563 4.782 -2.966) 7.913 12.923 ( 6.334 -8.063 -2.076) 10.461 13.016 ( 1.015 1.571 -2.312) 2.974 13.179 ( 4.214 -4.229 2.398) 6.434 13.544 ( -1.667 6.475 -0.817) 6.736 13.695 ( -0.878 1.047 -2.155) 2.551 13.812 ( -2.498 -4.603 -0.878) 5.311 14.052 ( 0.380 -7.193 -13.571) 15.364 14.522 ( 4.464 3.393 1.770) 5.880 14.568 ( 4.973 -1.011 -2.707) 5.751 14.783 ( 3.800 0.042 -2.599) 4.604 14.819 ( 5.248 -2.033 0.495) 5.650 15.654 ( -2.572 2.082 4.178) 5.330 15.768 ( -8.650 0.371 1.341) 8.762 15.881 ( -12.904 -0.353 0.790) 12.933 15.946 ( -3.561 -1.759 5.928) 7.136 16.166 ( -11.997 5.767 -9.091) 16.119 16.372 ( -5.354 -8.870 2.760) 10.722 16.487 ( -0.515 0.735 -4.814) 4.897 16.652 ( 0.085 -3.193 -7.773) 8.404 16.971 ( -4.879 4.511 -2.124) 6.976 17.070 ( -2.873 1.224 5.164) 6.035 17.253 ( -3.228 -5.593 4.791) 8.041 17.368 ( -5.742 -5.991 1.730) 8.477 17.878 ( 4.931 5.737 0.590) 7.587 17.925 ( 1.217 6.635 3.852) 7.768 18.103 ( 6.457 -3.127 -3.199) 7.855 18.187 ( 7.706 -1.756 1.697) 8.083 18.534 ( -13.166 9.154 -1.674) 16.122 18.916 ( -5.749 -4.162 -1.371) 7.229 19.327 ( -6.600 6.766 -3.251) 9.995 19.463 ( -8.174 -0.849 1.717) 8.396 21.690 ( 11.997 5.591 1.579) 13.329 21.833 ( 13.460 0.728 1.065) 13.522 22.197 ( 2.194 0.391 -0.517) 2.287 22.287 ( 5.855 -3.649 -2.372) 7.296 27.559 ( -6.264 3.425 2.775) 7.660 27.724 ( -4.908 -2.928 -3.481) 6.692 27.952 ( -14.873 -8.123 -3.064) 17.222 28.128 ( -10.521 -11.747 -1.032) 15.804 29.902 ( -0.892 1.828 -0.065) 2.035 29.939 ( 0.525 0.392 0.526) 0.841 30.173 ( -6.094 0.955 -0.764) 6.216 30.265 ( -3.560 -2.635 1.510) 4.680 31.068 ( 0.217 3.905 -1.116) 4.067 31.105 ( 0.865 2.803 -1.978) 3.538 31.674 ( 2.089 2.146 -0.773) 3.094 31.714 ( 1.956 1.377 -2.316) 3.330 32.383 ( -3.532 4.791 7.061) 9.235 32.425 ( -3.676 1.722 2.433) 4.732 32.505 ( -2.527 -0.762 -1.490) 3.030 32.523 ( -0.617 -0.504 3.866) 3.947 33.033 ( -4.923 7.541 3.987) 9.848 33.330 ( -2.130 -4.540 -0.777) 5.074 33.564 ( 5.969 7.184 -3.951) 10.141 33.806 ( 11.090 -0.767 2.889) 11.486 34.163 ( -6.996 4.843 -1.243) 8.599 34.274 ( -4.244 1.636 -1.208) 4.706 34.555 ( -3.948 -2.943 1.634) 5.188 34.675 ( -2.274 -6.339 -5.268) 8.550 35.898 ( -1.591 9.048 11.178) 14.469 36.421 ( -0.292 -13.984 10.493) 17.485 36.731 ( 16.209 1.099 -7.756) 18.003 36.894 ( 12.277 -5.369 -9.136) 16.218 ======================= Grid point 118 (65/88) ======================= q-point: (-0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -7.812 15.480 8.122) 19.148 2.461 ( -4.201 3.339 1.920) 5.700 2.551 ( -16.556 16.746 11.188) 26.071 2.636 ( 1.172 1.364 3.377) 3.826 2.690 ( 2.537 -0.173 5.034) 5.640 2.912 ( -1.994 7.596 6.232) 10.026 3.065 ( -1.379 6.457 -1.463) 6.762 3.344 ( 0.562 4.233 7.660) 8.770 3.487 ( -3.879 0.858 0.089) 3.974 3.599 ( -6.987 -6.420 9.320) 13.300 3.785 ( -3.674 -8.933 -2.315) 9.933 4.008 ( -0.658 -6.932 3.393) 7.746 4.188 ( -3.537 -2.550 -1.668) 4.669 4.217 ( -6.550 9.013 2.751) 11.476 4.345 ( -3.792 -15.109 0.811) 15.599 4.533 ( -9.815 5.963 -0.244) 11.487 4.752 ( -2.098 -2.942 2.315) 4.291 4.833 ( -1.565 1.768 3.704) 4.393 4.954 ( -3.951 -1.931 0.864) 4.482 5.140 ( -8.019 -3.188 1.960) 8.850 5.183 ( 1.746 3.472 1.164) 4.057 5.281 ( -2.474 3.373 1.009) 4.303 5.398 ( 4.767 -4.010 -1.968) 6.533 5.626 ( -1.764 -0.711 -2.575) 3.201 5.688 ( 8.461 -3.879 -3.320) 9.882 5.919 ( -3.190 -7.691 -7.734) 11.364 6.191 ( 3.437 3.427 0.887) 4.934 6.270 ( -7.923 7.902 -8.921) 14.311 6.446 ( -2.613 8.069 -10.458) 13.465 6.566 ( -6.715 0.737 -0.825) 6.806 6.725 ( 0.934 7.375 0.106) 7.435 6.860 ( -4.618 3.183 1.682) 5.855 7.015 ( 4.277 -1.778 -3.590) 5.861 7.086 ( -1.000 -4.774 8.515) 9.813 7.200 ( -0.841 5.313 -4.258) 6.861 7.315 ( 2.005 2.819 -3.047) 4.610 7.455 ( -1.671 -4.626 -2.483) 5.509 7.528 ( -8.968 -8.183 -3.592) 12.661 7.744 ( -2.114 3.931 -5.592) 7.155 7.945 ( -1.404 4.722 -3.505) 6.046 8.167 ( 1.078 -1.323 4.539) 4.849 8.297 ( -0.812 -2.652 2.641) 3.829 8.416 ( 0.039 -1.368 5.291) 5.465 8.525 ( 2.816 -3.172 2.778) 5.071 8.840 ( -7.251 2.198 3.318) 8.271 8.856 ( -0.773 0.036 1.339) 1.547 9.034 ( -1.312 5.465 6.321) 8.458 9.192 ( 1.426 -1.011 1.487) 2.295 9.387 ( -2.711 3.247 4.038) 5.848 9.519 ( 9.907 3.781 2.789) 10.964 9.549 ( 2.551 -7.430 3.940) 8.789 9.693 ( 4.240 -1.904 6.471) 7.967 10.021 ( 2.421 -2.676 -0.586) 3.656 10.180 ( 0.511 -3.111 6.501) 7.226 10.374 ( 5.810 -2.738 -9.539) 11.500 10.393 ( 3.130 3.070 -8.121) 9.229 10.532 ( 7.857 1.107 -12.710) 14.984 10.790 ( 1.129 0.469 -1.570) 1.990 11.009 ( 9.504 4.082 11.862) 15.738 11.150 ( 6.918 -2.842 0.151) 7.480 11.361 ( -1.520 -0.096 -5.620) 5.823 11.489 ( -4.997 -0.941 -6.169) 7.994 11.582 ( 2.178 -1.075 -1.179) 2.700 11.890 ( 7.260 4.050 10.689) 13.542 12.043 ( 2.586 -7.534 3.091) 8.544 12.322 ( 2.325 -0.677 4.917) 5.481 12.393 ( 4.986 -6.994 15.800) 17.984 12.600 ( 16.771 -10.994 6.804) 21.176 12.774 ( 10.177 6.082 -1.744) 11.984 12.982 ( -0.093 -6.334 2.914) 6.973 13.050 ( 2.721 3.696 -2.515) 5.233 13.286 ( 3.758 -10.181 0.084) 10.853 13.482 ( -2.569 4.252 -4.497) 6.700 13.623 ( -3.392 -0.802 -3.056) 4.635 13.769 ( 3.694 -3.696 -16.000) 16.831 13.929 ( 4.675 -5.334 -21.651) 22.783 14.661 ( 6.776 3.139 1.880) 7.701 14.687 ( 7.624 1.072 0.583) 7.721 14.843 ( 4.366 2.388 -2.569) 5.601 14.893 ( 1.086 0.212 0.838) 1.388 15.502 ( -14.071 3.838 -2.530) 14.803 15.525 ( -17.495 -1.692 0.523) 17.585 15.596 ( -6.169 5.490 -2.242) 8.557 15.740 ( -17.917 -1.235 -6.790) 19.200 16.048 ( 2.463 -2.874 -1.175) 3.964 16.319 ( -6.919 -10.135 6.363) 13.823 16.419 ( -1.786 1.377 -4.676) 5.192 16.575 ( -0.200 -4.108 -6.448) 7.648 16.880 ( -1.852 6.879 2.879) 7.684 17.072 ( -1.536 0.880 7.104) 7.321 17.231 ( -1.771 -4.037 1.318) 4.601 17.291 ( -4.185 -2.787 6.989) 8.609 17.933 ( -2.035 6.312 2.356) 7.038 18.048 ( 6.013 9.168 4.342) 11.792 18.152 ( 3.562 -0.643 -2.401) 4.343 18.338 ( -4.051 0.362 -0.814) 4.148 18.383 ( 7.598 -2.418 3.797) 8.831 18.651 ( -15.766 -8.848 -3.432) 18.402 19.194 ( -6.272 8.506 -1.771) 10.715 19.331 ( -3.519 2.485 -2.365) 4.915 21.939 ( 10.422 8.155 0.231) 13.235 22.067 ( 7.723 4.918 -1.221) 9.237 22.256 ( 3.779 -1.354 2.033) 4.499 22.394 ( 6.344 -5.560 -2.743) 8.870 27.438 ( -6.436 2.683 -1.026) 7.048 27.564 ( -12.235 -1.305 0.006) 12.304 27.634 ( -5.034 -1.515 -3.822) 6.499 27.911 ( -12.033 -9.633 1.634) 15.500 29.891 ( -0.108 2.116 0.195) 2.128 29.959 ( 0.942 -0.487 -0.112) 1.066 30.064 ( -4.196 2.617 0.898) 5.026 30.191 ( -4.279 -2.277 0.548) 4.878 31.065 ( 0.419 3.761 -1.269) 3.991 31.097 ( 0.230 3.323 -2.482) 4.153 31.707 ( 1.935 1.588 -1.323) 2.832 31.725 ( 0.907 1.458 -1.974) 2.617 32.339 ( -3.689 3.886 2.507) 5.915 32.380 ( -2.924 2.137 2.081) 4.177 32.478 ( -2.418 1.490 4.592) 5.399 32.551 ( 0.291 -1.316 3.754) 3.989 33.005 ( -1.516 7.319 7.269) 10.426 33.302 ( 0.461 -3.657 -0.428) 3.711 33.654 ( 5.108 6.758 -1.749) 8.650 33.993 ( -4.461 -0.927 -1.798) 4.898 34.058 ( 4.714 -1.744 2.085) 5.441 34.171 ( -2.024 -0.725 -2.506) 3.302 34.478 ( -3.967 -2.816 -1.137) 4.996 34.575 ( -2.724 -5.129 -5.229) 7.815 36.008 ( 2.159 7.837 12.467) 14.883 36.468 ( -2.076 -13.131 6.754) 14.911 36.953 ( 10.661 0.419 -5.780) 12.134 37.100 ( 13.320 -5.813 -8.287) 16.730 ======================= Grid point 119 (66/88) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 1.444 -8.395 -0.635) 8.542 2.278 ( 1.444 8.395 -0.635) 8.542 2.676 ( -0.616 -2.920 2.710) 4.031 2.676 ( -0.616 2.920 2.710) 4.031 2.944 ( 1.868 -9.612 1.204) 9.865 2.944 ( 1.868 9.612 1.204) 9.865 3.389 ( 0.739 -17.705 4.852) 18.372 3.389 ( 0.739 17.705 4.852) 18.372 3.545 ( 5.105 -11.423 5.235) 13.563 3.545 ( 5.105 11.423 5.235) 13.563 3.692 ( 6.269 -4.485 -2.951) 8.254 3.692 ( 6.269 4.485 -2.951) 8.254 4.131 ( 0.978 -2.923 6.679) 7.356 4.131 ( 0.978 2.923 6.679) 7.356 4.547 ( 2.456 -1.458 4.468) 5.303 4.547 ( 2.456 1.458 4.468) 5.303 4.705 ( -5.829 -5.400 5.689) 9.773 4.705 ( -5.829 5.400 5.689) 9.773 4.905 ( -2.450 -2.281 4.300) 5.449 4.905 ( -2.450 2.281 4.300) 5.449 5.266 ( 0.965 -5.128 0.004) 5.218 5.266 ( 0.965 5.128 0.004) 5.218 5.495 ( -2.474 -9.181 -13.584) 16.582 5.495 ( -2.474 9.181 -13.584) 16.582 5.780 ( 8.670 -6.081 1.825) 10.746 5.780 ( 8.670 6.081 1.825) 10.746 6.171 ( -7.286 -4.220 -8.435) 11.918 6.171 ( -7.286 4.220 -8.435) 11.918 6.319 ( -9.827 -2.886 -2.814) 10.621 6.319 ( -9.827 2.886 -2.814) 10.621 6.864 ( -3.115 -3.141 -1.910) 4.818 6.864 ( -3.115 3.141 -1.910) 4.818 6.959 ( -5.288 -6.142 3.100) 8.677 6.959 ( -5.288 6.142 3.100) 8.677 7.208 ( -0.350 -5.647 -3.830) 6.832 7.208 ( -0.350 5.647 -3.830) 6.832 7.463 ( 6.279 -2.981 -1.517) 7.114 7.463 ( 6.279 2.981 -1.517) 7.114 7.913 ( -0.077 -9.128 2.479) 9.459 7.913 ( -0.077 9.128 2.479) 9.459 8.244 ( 0.350 -1.377 1.763) 2.264 8.244 ( 0.350 1.377 1.763) 2.264 8.503 ( 0.967 -4.927 3.571) 6.162 8.503 ( 0.967 4.927 3.571) 6.162 8.792 ( -2.919 -4.965 0.785) 5.813 8.792 ( -2.919 4.965 0.785) 5.813 9.150 ( 2.173 -1.851 -1.345) 3.156 9.150 ( 2.173 1.851 -1.345) 3.156 9.443 ( -4.924 -5.475 11.589) 13.731 9.443 ( -4.924 5.475 11.589) 13.731 9.805 ( -2.059 -12.471 9.979) 16.104 9.805 ( -2.059 12.471 9.979) 16.104 10.060 ( 2.037 -12.357 4.457) 13.293 10.060 ( 2.037 12.357 4.457) 13.293 10.436 ( 6.136 -1.633 -13.735) 15.132 10.436 ( 6.136 1.633 -13.735) 15.132 10.737 ( 5.435 -9.835 -10.256) 15.214 10.737 ( 5.435 9.835 -10.256) 15.214 11.207 ( -6.320 -3.912 -6.785) 10.064 11.207 ( -6.320 3.912 -6.785) 10.064 11.343 ( 7.623 -7.868 11.297) 15.736 11.343 ( 7.623 7.868 11.297) 15.736 11.762 ( -1.604 -14.353 1.864) 14.562 11.762 ( -1.604 14.353 1.864) 14.562 12.281 ( 2.688 -11.466 3.555) 12.302 12.281 ( 2.688 11.466 3.555) 12.302 12.489 ( -0.699 -7.193 7.187) 10.192 12.489 ( -0.699 7.193 7.187) 10.192 12.987 ( -0.966 -2.112 -0.881) 2.484 12.987 ( -0.966 2.112 -0.881) 2.484 13.141 ( 2.557 -3.555 -1.580) 4.656 13.141 ( 2.557 3.555 -1.580) 4.656 13.474 ( -5.420 -2.755 -4.159) 7.366 13.474 ( -5.420 2.755 -4.159) 7.366 13.695 ( 2.618 -6.101 -22.387) 23.351 13.695 ( 2.618 6.101 -22.387) 23.351 14.737 ( -6.163 -0.744 4.748) 7.816 14.737 ( -6.163 0.744 4.748) 7.816 15.005 ( 9.253 -1.752 -3.485) 10.041 15.005 ( 9.253 1.752 -3.485) 10.041 15.308 ( -8.806 -1.813 4.587) 10.093 15.308 ( -8.806 1.813 4.587) 10.093 15.464 ( 0.009 -1.114 -5.070) 5.191 15.464 ( 0.009 1.114 -5.070) 5.191 16.122 ( 0.545 -2.993 1.586) 3.430 16.122 ( 0.545 2.993 1.586) 3.430 16.439 ( 1.384 -3.521 -7.509) 8.408 16.439 ( 1.384 3.521 -7.509) 8.408 17.082 ( 2.676 -3.831 7.194) 8.578 17.082 ( 2.676 3.831 7.194) 8.578 17.264 ( 2.053 -1.750 3.550) 4.459 17.264 ( 2.053 1.750 3.550) 4.459 18.001 ( -2.342 -5.277 -1.881) 6.072 18.001 ( -2.342 5.277 -1.881) 6.072 18.230 ( -2.437 -2.528 -1.465) 3.805 18.230 ( -2.437 2.528 -1.465) 3.805 18.520 ( 5.954 -4.573 6.420) 9.879 18.520 ( 5.954 4.573 6.420) 9.879 19.229 ( -4.146 -4.518 -2.598) 6.660 19.229 ( -4.146 4.518 -2.598) 6.660 22.201 ( -0.686 -4.727 1.666) 5.059 22.201 ( -0.686 4.727 1.666) 5.059 22.308 ( 0.713 -6.632 -2.215) 7.028 22.308 ( 0.713 6.632 -2.215) 7.028 27.508 ( 4.891 -6.806 0.860) 8.425 27.508 ( 4.891 6.806 0.860) 8.425 27.542 ( -5.156 -7.315 -0.680) 8.975 27.542 ( -5.156 7.315 -0.680) 8.975 29.936 ( -0.246 -0.981 -0.306) 1.057 29.936 ( -0.246 0.981 -0.306) 1.057 30.099 ( 0.494 -1.490 0.899) 1.808 30.099 ( 0.494 1.490 0.899) 1.808 31.116 ( 0.266 -0.762 -0.766) 1.113 31.116 ( 0.266 0.762 -0.766) 1.113 31.735 ( -0.039 -0.680 -1.522) 1.667 31.735 ( -0.039 0.680 -1.522) 1.667 32.362 ( -2.496 -2.002 3.839) 4.998 32.362 ( -2.496 2.002 3.839) 4.998 32.537 ( 1.317 -3.219 1.157) 3.666 32.537 ( 1.317 3.219 1.157) 3.666 33.233 ( 0.553 -6.909 8.980) 11.344 33.233 ( 0.553 6.909 8.980) 11.344 33.825 ( -1.882 -5.284 -6.509) 8.592 33.825 ( -1.882 5.284 -6.509) 8.592 34.103 ( 2.042 -5.651 1.194) 6.126 34.103 ( 2.042 5.651 1.194) 6.126 34.418 ( 0.120 -3.127 -3.779) 4.907 34.418 ( 0.120 3.127 -3.779) 4.907 36.244 ( -3.280 -6.990 8.343) 11.368 36.244 ( -3.280 6.990 8.343) 11.368 37.087 ( 3.175 -4.425 -8.023) 9.697 37.087 ( 3.175 4.425 -8.023) 9.697 ======================= Grid point 121 (67/88) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 0.634 -4.437 -1.567) 4.748 2.293 ( 0.634 4.437 -1.567) 4.748 2.716 ( 0.792 -0.960 0.946) 1.563 2.716 ( 0.792 0.960 0.946) 1.563 3.085 ( 10.785 -10.682 -1.522) 15.256 3.085 ( 10.785 10.682 -1.522) 15.256 3.371 ( -2.913 -6.126 1.781) 7.013 3.371 ( -2.913 6.126 1.781) 7.013 3.642 ( 6.426 -9.966 -4.040) 12.527 3.642 ( 6.426 9.966 -4.040) 12.527 3.915 ( 16.205 -5.659 -1.317) 17.215 3.915 ( 16.205 5.659 -1.317) 17.215 4.294 ( 4.797 -7.633 2.378) 9.324 4.294 ( 4.797 7.633 2.378) 9.324 4.451 ( -4.065 -7.087 -0.085) 8.171 4.451 ( -4.065 7.087 -0.085) 8.171 4.848 ( 4.959 -2.074 3.542) 6.437 4.848 ( 4.959 2.074 3.542) 6.437 5.018 ( 9.099 -9.543 14.247) 19.413 5.018 ( 9.099 9.543 14.247) 19.413 5.202 ( -2.608 -5.201 -7.732) 9.677 5.202 ( -2.608 5.201 -7.732) 9.677 5.488 ( 9.341 -6.078 -7.039) 13.181 5.488 ( 9.341 6.078 -7.039) 13.181 5.797 ( -5.237 -2.483 -4.401) 7.277 5.797 ( -5.237 2.483 -4.401) 7.277 6.027 ( -2.226 -2.867 1.925) 4.109 6.027 ( -2.226 2.867 1.925) 4.109 6.237 ( 0.984 -3.429 5.376) 6.451 6.237 ( 0.984 3.429 5.376) 6.451 6.692 ( -14.907 -1.152 7.150) 16.573 6.692 ( -14.907 1.152 7.150) 16.573 6.950 ( 1.669 -8.982 2.638) 9.509 6.950 ( 1.669 8.982 2.638) 9.509 7.233 ( 3.508 -5.096 -2.581) 6.704 7.233 ( 3.508 5.096 -2.581) 6.704 7.486 ( -0.090 -4.484 -5.668) 7.227 7.486 ( -0.090 4.484 -5.668) 7.227 7.970 ( 2.652 -8.641 3.166) 9.577 7.970 ( 2.652 8.641 3.166) 9.577 8.220 ( -3.466 -4.390 2.282) 6.041 8.220 ( -3.466 4.390 2.282) 6.041 8.512 ( -0.768 -1.760 -1.543) 2.463 8.512 ( -0.768 1.760 -1.543) 2.463 8.797 ( 0.876 -11.782 5.581) 13.066 8.797 ( 0.876 11.782 5.581) 13.066 9.181 ( 1.312 -2.904 -2.685) 4.167 9.181 ( 1.312 2.904 -2.685) 4.167 9.423 ( -5.210 -8.509 8.529) 13.126 9.423 ( -5.210 8.509 8.529) 13.126 9.771 ( -6.322 -12.357 4.655) 14.640 9.771 ( -6.322 12.357 4.655) 14.640 10.091 ( -2.531 -13.429 2.998) 13.990 10.091 ( -2.531 13.429 2.998) 13.990 10.452 ( 3.196 -2.235 -8.456) 9.312 10.452 ( 3.196 2.235 -8.456) 9.312 10.716 ( 2.125 -12.250 -14.441) 19.055 10.716 ( 2.125 12.250 -14.441) 19.055 11.067 ( -3.637 -1.897 1.215) 4.278 11.067 ( -3.637 1.897 1.215) 4.278 11.512 ( -1.112 -9.319 5.194) 10.727 11.512 ( -1.112 9.319 5.194) 10.727 11.682 ( -3.116 -6.967 -3.814) 8.532 11.682 ( -3.116 6.967 -3.814) 8.532 12.301 ( -2.479 -5.113 1.720) 5.937 12.301 ( -2.479 5.113 1.720) 5.937 12.494 ( -3.168 -11.411 4.625) 12.714 12.494 ( -3.168 11.411 4.625) 12.714 12.891 ( -4.757 -2.454 -6.331) 8.291 12.891 ( -4.757 2.454 -6.331) 8.291 13.185 ( -1.508 -4.174 1.660) 4.738 13.185 ( -1.508 4.174 1.660) 4.738 13.313 ( -1.859 -0.897 -2.964) 3.612 13.313 ( -1.859 0.897 -2.964) 3.612 13.588 ( -0.854 -5.220 -7.133) 8.880 13.588 ( -0.854 5.220 -7.133) 8.880 14.626 ( -7.138 -0.576 1.958) 7.424 14.626 ( -7.138 0.576 1.958) 7.424 15.025 ( -7.155 -1.743 -2.961) 7.937 15.025 ( -7.155 1.743 -2.961) 7.937 15.293 ( 10.153 -4.105 4.482) 11.833 15.293 ( 10.153 4.105 4.482) 11.833 15.667 ( 14.016 -2.425 1.423) 14.295 15.667 ( 14.016 2.425 1.423) 14.295 16.179 ( 4.591 -5.564 1.414) 7.351 16.179 ( 4.591 5.564 1.414) 7.351 16.436 ( 4.150 -2.089 -6.618) 8.086 16.436 ( 4.150 2.089 -6.618) 8.086 17.144 ( -0.780 -2.921 0.935) 3.165 17.144 ( -0.780 2.921 0.935) 3.165 17.345 ( 3.250 -6.105 0.474) 6.933 17.345 ( 3.250 6.105 0.474) 6.933 17.955 ( -1.566 -5.353 -0.698) 5.621 17.955 ( -1.566 5.353 -0.698) 5.621 18.309 ( 9.762 -4.506 2.971) 11.155 18.309 ( 9.762 4.506 2.971) 11.155 18.594 ( -0.934 -0.748 -2.719) 2.971 18.594 ( -0.934 0.748 -2.719) 2.971 19.166 ( -0.622 -6.072 2.496) 6.595 19.166 ( -0.622 6.072 2.496) 6.595 22.092 ( -11.040 -2.753 1.532) 11.481 22.092 ( -11.040 2.753 1.532) 11.481 22.269 ( -2.558 -4.467 -1.691) 5.418 22.269 ( -2.558 4.467 -1.691) 5.418 27.478 ( 0.641 -4.256 -0.076) 4.305 27.478 ( 0.641 4.256 -0.076) 4.305 27.723 ( 13.315 -7.569 0.138) 15.316 27.723 ( 13.315 7.569 0.138) 15.316 29.923 ( -0.583 -0.884 -0.010) 1.059 29.923 ( -0.583 0.884 -0.010) 1.059 30.158 ( 4.369 -1.766 0.196) 4.717 30.158 ( 4.369 1.766 0.196) 4.717 31.118 ( 0.475 -0.578 -0.680) 1.011 31.118 ( 0.475 0.578 -0.680) 1.011 31.710 ( -1.331 -1.824 -0.975) 2.459 31.710 ( -1.331 1.824 -0.975) 2.459 32.357 ( -1.286 -3.249 4.505) 5.701 32.357 ( -1.286 3.249 4.505) 5.701 32.594 ( 4.093 -4.245 -0.259) 5.902 32.594 ( 4.093 4.245 -0.259) 5.902 33.285 ( -2.191 -5.374 4.811) 7.538 33.285 ( -2.191 5.374 4.811) 7.538 33.734 ( -2.186 -4.662 -2.469) 5.710 33.734 ( -2.186 4.662 -2.469) 5.710 34.169 ( 3.857 -6.483 -1.246) 7.646 34.169 ( 3.857 6.483 -1.246) 7.646 34.440 ( 4.596 -5.262 -2.163) 7.314 34.440 ( 4.596 5.262 -2.163) 7.314 36.210 ( -6.605 -2.752 8.483) 11.098 36.210 ( -6.605 2.752 8.483) 11.098 36.999 ( -4.942 -6.297 -8.033) 11.340 36.999 ( -4.942 6.297 -8.033) 11.340 ======================= Grid point 123 (68/88) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 0.447 -2.456 0.313) 2.516 2.296 ( 0.447 2.456 0.313) 2.516 2.693 ( -2.038 -0.567 -2.032) 2.934 2.693 ( -2.038 0.567 -2.032) 2.934 3.157 ( 1.768 -11.357 -7.491) 13.719 3.157 ( 1.768 11.357 -7.491) 13.719 3.389 ( -0.969 -0.819 1.961) 2.336 3.389 ( -0.969 0.819 1.961) 2.336 3.830 ( 15.422 -2.095 -4.442) 16.185 3.830 ( 15.422 2.095 -4.442) 16.185 4.201 ( 7.782 -11.747 -8.418) 16.413 4.201 ( 7.782 11.747 -8.418) 16.413 4.237 ( 6.296 -15.283 -5.205) 17.330 4.237 ( 6.296 15.283 -5.205) 17.330 4.529 ( -0.339 -6.942 10.542) 12.627 4.529 ( -0.339 6.942 10.542) 12.627 4.955 ( 2.714 -4.435 3.016) 6.011 4.955 ( 2.714 4.435 3.016) 6.011 5.087 ( 3.774 -4.498 -4.592) 7.454 5.087 ( 3.774 4.498 -4.592) 7.454 5.367 ( 7.028 -4.990 -8.211) 11.904 5.367 ( 7.028 4.990 -8.211) 11.904 5.508 ( 6.214 -2.575 -0.560) 6.749 5.508 ( 6.214 2.575 -0.560) 6.749 5.818 ( 2.975 -7.764 2.683) 8.736 5.818 ( 2.975 7.764 2.683) 8.736 6.022 ( 0.399 -1.414 4.291) 4.536 6.022 ( 0.399 1.414 4.291) 4.536 6.404 ( 0.118 -9.689 12.165) 15.552 6.404 ( 0.118 9.689 12.165) 15.552 6.497 ( -4.011 -3.227 11.918) 12.982 6.497 ( -4.011 3.227 11.918) 12.982 6.988 ( -1.995 -5.525 6.234) 8.565 6.988 ( -1.995 5.525 6.234) 8.565 7.234 ( 0.529 -1.475 -4.849) 5.096 7.234 ( 0.529 1.475 -4.849) 5.096 7.514 ( 5.794 -2.619 1.392) 6.509 7.514 ( 5.794 2.619 1.392) 6.509 7.961 ( -4.820 -3.797 -0.528) 6.159 7.961 ( -4.820 3.797 -0.528) 6.159 8.227 ( 0.707 -5.327 5.567) 7.737 8.227 ( 0.707 5.327 5.567) 7.737 8.472 ( -0.743 -2.689 -3.361) 4.368 8.472 ( -0.743 2.689 -3.361) 4.368 8.873 ( -1.474 -13.683 10.941) 17.581 8.873 ( -1.474 13.683 10.941) 17.581 9.123 ( -5.474 -3.718 -1.860) 6.874 9.123 ( -5.474 3.718 -1.860) 6.874 9.350 ( -5.256 -9.668 0.276) 11.007 9.350 ( -5.256 9.668 0.276) 11.007 9.661 ( -4.824 -9.965 -3.488) 11.607 9.661 ( -4.824 9.965 -3.488) 11.607 10.019 ( -6.687 -11.079 4.199) 13.605 10.019 ( -6.687 11.079 4.199) 13.605 10.398 ( -2.132 -7.293 -5.086) 9.143 10.398 ( -2.132 7.293 -5.086) 9.143 10.658 ( 6.692 -11.932 -18.766) 23.223 10.658 ( 6.692 11.932 -18.766) 23.223 11.059 ( -3.553 -2.844 7.130) 8.458 11.059 ( -3.553 2.844 7.130) 8.458 11.364 ( -3.766 -3.788 -12.036) 13.168 11.364 ( -3.766 3.788 -12.036) 13.168 11.677 ( -1.304 -12.547 3.813) 13.179 11.677 ( -1.304 12.547 3.813) 13.179 12.187 ( -8.121 -1.439 -4.086) 9.204 12.187 ( -8.121 1.439 -4.086) 9.204 12.447 ( -3.705 -12.854 1.294) 13.440 12.447 ( -3.705 12.854 1.294) 13.440 12.723 ( -5.393 -1.129 -5.185) 7.566 12.723 ( -5.393 1.129 -5.185) 7.566 13.151 ( 0.636 -4.885 -1.941) 5.295 13.151 ( 0.636 4.885 -1.941) 5.295 13.410 ( 4.950 -3.710 8.641) 10.627 13.410 ( 4.950 3.710 8.641) 10.627 13.558 ( 0.336 -1.828 3.011) 3.539 13.558 ( 0.336 1.828 3.011) 3.539 14.516 ( -3.492 -1.120 -1.165) 3.848 14.516 ( -3.492 1.120 -1.165) 3.848 14.869 ( -6.355 -3.497 -1.305) 7.370 14.869 ( -6.355 3.497 -1.305) 7.370 15.516 ( 4.733 -2.669 6.789) 8.696 15.516 ( 4.733 2.669 6.789) 8.696 15.977 ( 17.133 -1.944 0.575) 17.252 15.977 ( 17.133 1.944 0.575) 17.252 16.290 ( 3.533 -6.453 1.230) 7.459 16.290 ( 3.533 6.453 1.230) 7.459 16.497 ( 6.200 -3.459 -5.114) 8.750 16.497 ( 6.200 3.459 -5.114) 8.750 17.103 ( -2.110 -6.014 -0.122) 6.375 17.103 ( -2.110 6.014 -0.122) 6.375 17.367 ( -0.075 -7.235 -1.952) 7.494 17.367 ( -0.075 7.235 -1.952) 7.494 17.900 ( -3.603 -4.373 -0.876) 5.734 17.900 ( -3.603 4.373 -0.876) 5.734 18.439 ( -5.346 -1.208 -9.490) 10.959 18.439 ( -5.346 1.208 -9.490) 10.959 18.616 ( 11.784 -6.164 5.859) 14.532 18.616 ( 11.784 6.164 5.859) 14.532 19.269 ( 7.527 -9.044 5.424) 12.957 19.269 ( 7.527 9.044 5.424) 12.957 21.833 ( -14.709 -1.925 0.820) 14.857 21.833 ( -14.709 1.925 0.820) 14.857 22.204 ( -2.526 -1.967 -0.958) 3.341 22.204 ( -2.526 1.967 -0.958) 3.341 27.548 ( 4.676 -1.610 2.500) 5.541 27.548 ( 4.676 1.610 2.500) 5.541 27.975 ( 11.594 -8.802 -1.713) 14.657 27.975 ( 11.594 8.802 -1.713) 14.657 29.919 ( 0.114 -0.850 0.230) 0.888 29.919 ( 0.114 0.850 0.230) 0.888 30.248 ( 4.272 -3.247 -0.436) 5.383 30.248 ( 4.272 3.247 -0.436) 5.383 31.123 ( 0.526 -0.247 -0.720) 0.925 31.123 ( 0.526 0.247 -0.720) 0.925 31.676 ( -1.263 -2.465 -0.514) 2.816 31.676 ( -1.263 2.465 -0.514) 2.816 32.380 ( -0.386 -3.622 5.195) 6.344 32.380 ( -0.386 3.622 5.195) 6.344 32.680 ( 4.378 -3.396 -1.409) 5.717 32.680 ( 4.378 3.396 -1.409) 5.717 33.217 ( -4.521 -3.949 -1.047) 6.094 33.217 ( -4.521 3.949 -1.047) 6.094 33.701 ( -1.855 -7.067 1.399) 7.439 33.701 ( -1.855 7.067 1.399) 7.439 34.244 ( 5.482 -6.414 -2.038) 8.680 34.244 ( 5.482 6.414 -2.038) 8.680 34.539 ( 5.452 -6.041 -0.724) 8.170 34.539 ( 5.452 6.041 -0.724) 8.170 36.134 ( -7.714 -2.598 9.477) 12.492 36.134 ( -7.714 2.598 9.477) 12.492 36.804 ( -6.838 -8.552 -9.117) 14.248 36.804 ( -6.838 8.552 -9.117) 14.248 ======================= Grid point 125 (69/88) ======================= q-point: (-0.57 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 1.773 -2.041 2.988) 4.030 2.328 ( 1.773 2.041 2.988) 4.030 2.624 ( -2.323 -1.413 -4.282) 5.073 2.624 ( -2.323 1.413 -4.282) 5.073 3.139 ( 1.007 -10.377 -3.568) 11.020 3.139 ( 1.007 10.377 -3.568) 11.020 3.330 ( -3.549 -2.095 -0.483) 4.150 3.330 ( -3.549 2.095 -0.483) 4.150 3.975 ( 2.495 -3.939 -9.752) 10.809 3.975 ( 2.495 3.939 -9.752) 10.809 4.213 ( 2.726 -10.822 -9.446) 14.622 4.213 ( 2.726 10.823 -9.446) 14.622 4.379 ( 5.100 -8.808 -3.691) 10.826 4.379 ( 5.100 8.808 -3.691) 10.826 4.622 ( 5.937 -5.280 10.447) 13.125 4.622 ( 5.937 5.280 10.447) 13.125 4.960 ( -3.265 -2.914 2.304) 4.946 4.960 ( -3.265 2.914 2.304) 4.946 5.167 ( 1.312 -5.580 -1.130) 5.843 5.167 ( 1.312 5.580 -1.130) 5.843 5.321 ( 3.521 -7.528 -5.430) 9.927 5.321 ( 3.521 7.528 -5.430) 9.927 5.679 ( -2.446 -9.002 0.042) 9.328 5.679 ( -2.446 9.002 0.042) 9.328 5.812 ( -0.709 -1.526 -1.118) 2.020 5.812 ( -0.709 1.526 -1.118) 2.020 6.147 ( 9.653 -4.559 4.899) 11.746 6.147 ( 9.653 4.559 4.899) 11.746 6.359 ( -2.651 -3.045 8.414) 9.332 6.359 ( -2.651 3.045 8.414) 9.332 6.693 ( 2.326 -7.372 10.791) 13.274 6.693 ( 2.326 7.372 10.791) 13.274 6.982 ( -2.028 -4.296 2.256) 5.259 6.982 ( -2.028 4.296 2.256) 5.259 7.289 ( 4.911 -2.673 3.798) 6.759 7.289 ( 4.911 2.673 3.798) 6.759 7.648 ( 1.359 -2.224 7.986) 8.400 7.648 ( 1.359 2.224 7.986) 8.400 7.879 ( 0.977 -2.672 -3.080) 4.193 7.879 ( 0.977 2.672 -3.080) 4.193 8.252 ( -3.471 -3.342 6.166) 7.825 8.252 ( -3.471 3.342 6.166) 7.825 8.437 ( -1.643 -4.698 0.890) 5.056 8.437 ( -1.643 4.698 0.890) 5.056 8.856 ( -5.543 -8.431 6.628) 12.072 8.856 ( -5.543 8.431 6.628) 12.072 8.968 ( -7.204 -5.494 -1.685) 9.216 8.968 ( -7.204 5.494 -1.685) 9.216 9.315 ( 2.439 -9.854 -1.936) 10.334 9.315 ( 2.439 9.854 -1.936) 10.334 9.512 ( -5.067 -7.670 -8.534) 12.543 9.512 ( -5.067 7.670 -8.534) 12.543 9.936 ( -5.181 -11.906 6.651) 14.589 9.936 ( -5.181 11.906 6.651) 14.589 10.374 ( 4.518 -7.685 -4.852) 10.149 10.374 ( 4.518 7.685 -4.852) 10.149 10.668 ( 7.317 -9.540 -16.298) 20.252 10.668 ( 7.317 9.540 -16.298) 20.252 10.968 ( -4.781 -6.360 -3.149) 8.558 10.968 ( -4.781 6.360 -3.149) 8.558 11.287 ( -1.522 -9.079 -0.727) 9.234 11.287 ( -1.522 9.079 -0.727) 9.234 11.626 ( -3.397 -11.102 -2.667) 11.912 11.626 ( -3.397 11.102 -2.667) 11.912 12.023 ( -2.210 -7.409 -4.850) 9.127 12.023 ( -2.210 7.409 -4.850) 9.127 12.367 ( -5.212 -6.587 0.125) 8.401 12.367 ( -5.212 6.587 0.125) 8.401 12.636 ( 0.455 -4.030 -4.174) 5.820 12.636 ( 0.455 4.030 -4.174) 5.820 13.135 ( -1.251 -3.311 -1.932) 4.033 13.135 ( -1.251 3.311 -1.932) 4.033 13.570 ( 2.831 -1.914 10.177) 10.735 13.570 ( 2.831 1.914 10.177) 10.735 13.674 ( 6.137 -4.846 7.827) 11.064 13.674 ( 6.137 4.846 7.827) 11.064 14.480 ( 1.100 -2.688 -2.433) 3.789 14.480 ( 1.100 2.688 -2.433) 3.789 14.754 ( -3.866 -2.267 -1.519) 4.732 14.754 ( -3.866 2.267 -1.519) 4.732 15.597 ( -0.421 -3.396 6.652) 7.480 15.597 ( -0.421 3.396 6.652) 7.480 16.240 ( -0.196 -7.448 1.890) 7.687 16.240 ( -0.196 7.448 1.890) 7.687 16.362 ( 10.585 -4.340 -1.583) 11.549 16.362 ( 10.585 4.340 -1.583) 11.549 16.549 ( 2.684 -2.185 -6.145) 7.053 16.549 ( 2.684 2.185 -6.145) 7.053 17.096 ( -0.832 -8.024 4.644) 9.308 17.096 ( -0.832 8.024 4.644) 9.308 17.333 ( -0.916 -7.274 -3.083) 7.954 17.333 ( -0.916 7.275 -3.083) 7.954 17.827 ( -1.976 -2.465 0.400) 3.184 17.827 ( -1.976 2.465 0.400) 3.184 18.223 ( -6.505 -1.582 -11.516) 13.321 18.223 ( -6.505 1.582 -11.516) 13.321 18.844 ( 5.227 -3.436 6.351) 8.914 18.844 ( 5.227 3.436 6.351) 8.914 19.487 ( 7.967 -8.165 4.062) 12.109 19.487 ( 7.967 8.165 4.062) 12.109 21.591 ( -8.318 -0.580 0.159) 8.340 21.591 ( -8.318 0.580 0.159) 8.340 22.167 ( -0.439 -1.027 -0.540) 1.241 22.167 ( -0.439 1.027 -0.540) 1.241 27.665 ( 3.191 -2.940 4.901) 6.546 27.665 ( 3.191 2.940 4.901) 6.546 28.120 ( 4.595 -8.375 -3.347) 10.122 28.120 ( 4.595 8.375 -3.347) 10.122 29.928 ( 0.401 -0.595 0.433) 0.838 29.928 ( 0.401 0.595 0.433) 0.838 30.300 ( 1.091 -2.838 -0.742) 3.130 30.300 ( 1.091 2.838 -0.742) 3.130 31.126 ( 0.348 -0.202 -0.795) 0.891 31.126 ( 0.348 0.202 -0.795) 0.891 31.662 ( 0.308 -2.150 -0.168) 2.179 31.662 ( 0.308 2.150 -0.168) 2.179 32.418 ( -0.436 -3.243 5.933) 6.776 32.418 ( -0.436 3.243 5.933) 6.776 32.690 ( -1.269 -0.262 -5.887) 6.028 32.690 ( -1.269 0.262 -5.887) 6.028 33.174 ( -0.331 -3.591 4.837) 6.033 33.174 ( -0.331 3.591 4.837) 6.033 33.657 ( -1.479 -6.831 -3.556) 7.841 33.657 ( -1.479 6.831 -3.556) 7.841 34.343 ( 4.166 -4.729 0.443) 6.318 34.343 ( 4.166 4.729 0.443) 6.318 34.608 ( 1.922 -5.506 -1.430) 6.004 34.608 ( 1.922 5.506 -1.430) 6.004 36.076 ( -6.084 -5.736 11.194) 13.972 36.076 ( -6.084 5.736 11.194) 13.972 36.635 ( -1.042 -9.168 -10.936) 14.308 36.635 ( -1.042 9.168 -10.936) 14.308 ======================= Grid point 127 (70/88) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 3.402 -2.902 5.008) 6.714 2.415 ( 3.402 2.902 5.008) 6.714 2.533 ( -2.498 -3.472 -6.019) 7.384 2.533 ( -2.498 3.472 -6.019) 7.384 3.139 ( -0.582 -5.855 2.352) 6.337 3.139 ( -0.582 5.855 2.352) 6.337 3.276 ( -0.842 -14.151 -2.141) 14.337 3.276 ( -0.842 14.151 -2.141) 14.337 3.825 ( -9.450 -18.713 -5.612) 21.702 3.825 ( -9.450 18.713 -5.612) 21.702 4.084 ( -7.991 -15.607 -7.556) 19.093 4.084 ( -7.991 15.607 -7.556) 19.093 4.429 ( 2.569 -7.598 -1.809) 8.222 4.429 ( 2.569 7.598 -1.809) 8.222 4.783 ( -3.824 -5.670 -1.415) 6.984 4.783 ( -3.824 5.670 -1.415) 6.984 4.943 ( 2.932 -3.462 2.356) 5.113 4.943 ( 2.932 3.462 2.356) 5.113 5.087 ( -5.535 -6.223 1.609) 8.482 5.087 ( -5.535 6.223 1.609) 8.482 5.323 ( -1.959 -7.824 0.164) 8.067 5.323 ( -1.959 7.824 0.164) 8.067 5.635 ( -3.389 -7.286 2.201) 8.331 5.635 ( -3.389 7.286 2.201) 8.331 5.758 ( -2.618 -0.974 2.311) 3.625 5.758 ( -2.618 0.975 2.311) 3.625 6.225 ( -1.293 -4.404 -1.128) 4.726 6.225 ( -1.293 4.404 -1.128) 4.726 6.501 ( 7.314 -1.016 5.516) 9.217 6.501 ( 7.314 1.016 5.516) 9.217 6.789 ( 0.690 -7.379 10.649) 12.974 6.789 ( 0.690 7.379 10.649) 12.974 6.959 ( -0.273 -4.565 -3.775) 5.930 6.959 ( -0.273 4.565 -3.775) 5.930 7.364 ( -3.595 -4.353 10.282) 11.730 7.364 ( -3.595 4.353 10.282) 11.730 7.671 ( 2.223 -4.224 -7.369) 8.780 7.671 ( 2.223 4.224 -7.369) 8.780 7.931 ( 1.626 -0.977 1.242) 2.267 7.931 ( 1.626 0.977 1.242) 2.267 8.217 ( -4.162 -2.798 6.178) 7.957 8.217 ( -4.162 2.798 6.178) 7.957 8.433 ( -2.396 -4.222 3.656) 6.077 8.433 ( -2.396 4.222 3.656) 6.077 8.828 ( -1.637 -4.561 5.533) 7.355 8.828 ( -1.637 4.561 5.533) 7.355 8.924 ( 4.827 -7.988 3.456) 9.952 8.924 ( 4.827 7.988 3.456) 9.952 9.345 ( 1.854 -6.647 -1.675) 7.101 9.345 ( 1.854 6.647 -1.675) 7.101 9.377 ( -1.912 -8.674 -6.024) 10.732 9.377 ( -1.912 8.674 -6.024) 10.732 9.925 ( -0.819 -11.776 4.070) 12.486 9.925 ( -0.819 11.776 4.070) 12.486 10.453 ( 7.458 -2.728 -10.135) 12.876 10.453 ( 7.458 2.728 -10.135) 12.876 10.680 ( 3.244 -5.248 -5.727) 8.418 10.680 ( 3.244 5.248 -5.727) 8.418 10.873 ( 0.432 -14.509 -11.936) 18.793 10.873 ( 0.432 14.509 -11.936) 18.793 11.276 ( 0.371 -8.823 8.746) 12.428 11.276 ( 0.371 8.823 8.746) 12.428 11.586 ( 3.115 -9.671 -5.357) 11.487 11.586 ( 3.115 9.671 -5.357) 11.487 12.012 ( 2.933 -4.873 -3.647) 6.756 12.012 ( 2.933 4.873 -3.647) 6.756 12.248 ( -6.759 -2.995 2.219) 7.719 12.248 ( -6.759 2.995 2.219) 7.719 12.674 ( 5.745 -5.642 -3.267) 8.689 12.674 ( 5.745 5.642 -3.267) 8.689 13.087 ( -1.997 -2.143 -0.187) 2.935 13.087 ( -1.997 2.143 -0.187) 2.935 13.669 ( -0.180 -4.670 7.006) 8.422 13.669 ( -0.180 4.670 7.006) 8.422 13.838 ( 5.164 -8.700 1.253) 10.195 13.838 ( 5.164 8.700 1.253) 10.195 14.503 ( 2.929 -2.756 -3.037) 5.040 14.503 ( 2.929 2.756 -3.037) 5.040 14.716 ( 1.538 -1.764 -0.675) 2.436 14.716 ( 1.538 1.764 -0.675) 2.436 15.646 ( 0.561 -2.276 6.809) 7.201 15.646 ( 0.561 2.276 6.809) 7.201 16.123 ( -10.471 -2.157 3.684) 11.308 16.123 ( -10.471 2.157 3.684) 11.308 16.444 ( -3.548 -1.472 -5.750) 6.916 16.444 ( -3.548 1.472 -5.750) 6.916 16.575 ( 5.622 -3.954 -6.713) 9.607 16.575 ( 5.622 3.954 -6.713) 9.607 17.103 ( -3.492 -8.767 7.425) 12.008 17.103 ( -3.492 8.767 7.425) 12.008 17.283 ( -1.952 -8.145 -3.148) 8.948 17.283 ( -1.952 8.145 -3.148) 8.948 17.875 ( 4.489 -3.801 4.317) 7.296 17.875 ( 4.489 3.801 4.317) 7.296 18.053 ( -0.759 -4.153 -9.779) 10.651 18.053 ( -0.759 4.153 -9.779) 10.651 18.910 ( -2.749 -3.064 2.980) 5.082 18.910 ( -2.749 3.064 2.980) 5.082 19.555 ( -3.927 -1.915 1.805) 4.727 19.555 ( -3.927 1.915 1.805) 4.727 21.568 ( 6.027 -2.138 0.828) 6.449 21.568 ( 6.027 2.138 0.828) 6.449 22.177 ( 1.883 -1.162 -0.817) 2.358 22.177 ( 1.883 1.162 -0.817) 2.358 27.717 ( -2.105 -4.703 4.188) 6.640 27.717 ( -2.105 4.703 4.188) 6.640 28.098 ( -3.796 -5.846 -3.648) 7.867 28.098 ( -3.796 5.846 -3.648) 7.867 29.936 ( 0.040 -0.523 0.255) 0.584 29.936 ( 0.040 0.523 0.255) 0.584 30.279 ( -2.557 -0.791 -0.181) 2.683 30.279 ( -2.557 0.791 -0.181) 2.683 31.125 ( 0.220 -0.611 -0.796) 1.028 31.125 ( 0.220 0.611 -0.796) 1.028 31.683 ( 1.820 -1.484 -0.619) 2.429 31.683 ( 1.820 1.484 -0.619) 2.429 32.452 ( -1.399 -2.510 6.975) 7.544 32.452 ( -1.399 2.510 6.975) 7.544 32.575 ( -4.141 -1.324 -5.419) 6.947 32.575 ( -4.141 1.324 -5.419) 6.947 33.225 ( -1.930 -5.831 7.771) 9.905 33.225 ( -1.930 5.831 7.771) 9.905 33.630 ( 4.312 -4.860 -6.955) 9.518 33.630 ( 4.312 4.860 -6.955) 9.518 34.371 ( -2.468 -0.862 0.504) 2.662 34.371 ( -2.468 0.862 0.504) 2.662 34.600 ( -1.004 -4.593 -1.548) 4.950 34.600 ( -1.004 4.593 -1.548) 4.950 36.075 ( -3.060 -9.904 11.621) 15.573 36.075 ( -3.060 9.904 11.621) 15.573 36.624 ( 8.792 -7.016 -10.937) 15.689 36.624 ( 8.792 7.016 -10.937) 15.689 ======================= Grid point 129 (71/88) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -3.641 -6.074 -4.544) 8.414 2.408 ( -3.641 6.074 -4.544) 8.414 2.554 ( 4.553 -2.899 4.111) 6.785 2.554 ( 4.553 2.899 4.111) 6.785 3.110 ( -2.872 -7.375 -2.774) 8.387 3.110 ( -2.872 7.375 -2.774) 8.387 3.288 ( 0.799 -18.520 5.040) 19.210 3.288 ( 0.799 18.520 5.040) 19.210 3.571 ( -14.940 -23.107 4.053) 27.814 3.571 ( -14.940 23.107 4.053) 27.814 3.843 ( -10.380 -15.583 -2.044) 18.834 3.843 ( -10.380 15.583 -2.044) 18.834 4.368 ( -7.216 -4.187 -8.101) 11.629 4.368 ( -7.216 4.187 -8.101) 11.629 4.569 ( -9.125 -7.552 5.428) 13.029 4.569 ( -9.125 7.552 5.428) 13.029 5.008 ( -1.739 -5.647 -2.422) 6.386 5.008 ( -1.739 5.647 -2.422) 6.386 5.041 ( -3.347 -5.216 2.880) 6.833 5.041 ( -3.347 5.216 2.880) 6.833 5.282 ( -1.740 -7.529 0.332) 7.734 5.282 ( -1.740 7.529 0.332) 7.734 5.475 ( -6.721 -5.954 4.050) 9.850 5.475 ( -6.721 5.954 4.050) 9.850 5.766 ( -1.792 -7.212 -0.800) 7.474 5.766 ( -1.792 7.212 -0.800) 7.474 6.292 ( 7.128 -8.992 -1.391) 11.558 6.292 ( 7.128 8.992 -1.391) 11.558 6.638 ( 1.624 -1.975 3.012) 3.951 6.638 ( 1.624 1.975 3.012) 3.951 6.848 ( 1.327 -6.115 -6.768) 9.217 6.848 ( 1.327 6.115 -6.768) 9.217 6.918 ( -0.431 -4.338 8.707) 9.737 6.918 ( -0.431 4.338 8.707) 9.737 7.356 ( -1.848 -5.813 3.180) 6.878 7.356 ( -1.848 5.813 3.180) 6.878 7.573 ( -6.205 -7.295 -11.729) 15.142 7.573 ( -6.205 7.295 -11.729) 15.142 7.931 ( -0.943 -5.475 -0.440) 5.573 7.931 ( -0.943 5.475 -0.440) 5.573 8.208 ( -2.401 -3.765 6.450) 7.845 8.208 ( -2.401 3.765 6.450) 7.845 8.396 ( -1.701 -3.710 3.617) 5.453 8.396 ( -1.701 3.710 3.617) 5.453 8.868 ( -1.067 -2.527 6.881) 7.407 8.868 ( -1.067 2.527 6.881) 7.407 9.114 ( 4.803 -3.338 5.038) 7.720 9.114 ( 4.803 3.338 5.038) 7.720 9.344 ( 2.450 -8.005 1.792) 8.561 9.344 ( 2.450 8.005 1.792) 8.561 9.430 ( 6.625 -3.796 3.547) 8.419 9.430 ( 6.625 3.796 3.547) 8.419 9.947 ( 0.785 -7.444 1.504) 7.635 9.947 ( 0.785 7.444 1.504) 7.635 10.474 ( 4.327 -3.205 -13.590) 14.618 10.474 ( 4.327 3.205 -13.590) 14.618 10.672 ( 3.957 -12.303 -12.613) 18.058 10.672 ( 3.957 12.303 -12.613) 18.058 10.881 ( 6.576 -10.000 -0.611) 11.984 10.881 ( 6.576 10.000 -0.611) 11.984 11.405 ( 2.018 -6.980 6.137) 9.511 11.405 ( 2.018 6.980 6.137) 9.511 11.676 ( 7.340 -10.175 2.091) 12.719 11.676 ( 7.340 10.175 2.091) 12.719 12.003 ( 0.412 -5.618 -5.328) 7.753 12.003 ( 0.412 5.618 -5.328) 7.753 12.240 ( 3.408 -2.623 7.459) 8.610 12.240 ( 3.408 2.623 7.459) 8.610 12.779 ( 6.000 -5.308 -0.899) 8.061 12.779 ( 6.000 5.308 -0.899) 8.061 13.080 ( 1.578 -3.968 0.126) 4.272 13.080 ( 1.578 3.968 0.126) 4.272 13.663 ( -3.575 -3.760 1.432) 5.382 13.663 ( -3.575 3.760 1.432) 5.382 13.870 ( 2.134 -8.122 -10.572) 13.502 13.870 ( 2.134 8.122 -10.572) 13.502 14.561 ( 5.980 -0.951 -2.753) 6.652 14.561 ( 5.980 0.951 -2.753) 6.652 14.791 ( 4.844 -0.845 0.781) 4.979 14.791 ( 4.844 0.845 0.781) 4.979 15.715 ( -0.609 -3.360 4.975) 6.034 15.715 ( -0.609 3.360 4.975) 6.034 15.910 ( -13.552 -1.799 3.312) 14.067 15.910 ( -13.552 1.799 3.312) 14.067 16.249 ( -9.595 -3.208 -5.395) 11.466 16.249 ( -9.595 3.208 -5.395) 11.466 16.561 ( -0.679 -4.887 -6.952) 8.525 16.561 ( -0.679 4.887 -6.952) 8.525 17.077 ( -4.660 -4.197 5.394) 8.272 17.077 ( -4.660 4.197 5.394) 8.272 17.218 ( -2.645 -5.824 0.942) 6.465 17.218 ( -2.645 5.824 0.942) 6.465 18.000 ( 5.753 -5.602 -2.713) 8.475 18.000 ( 5.753 5.602 -2.713) 8.475 18.082 ( 6.021 -6.797 3.707) 9.808 18.082 ( 6.021 6.797 3.707) 9.808 18.757 ( -13.511 -9.798 -0.862) 16.712 18.757 ( -13.511 9.798 -0.862) 16.712 19.433 ( -6.424 -2.752 -0.436) 7.002 19.433 ( -6.424 2.752 -0.436) 7.002 21.800 ( 14.459 -3.820 1.754) 15.057 21.800 ( 14.459 3.820 1.754) 15.057 22.222 ( 3.397 -2.115 -1.450) 4.257 22.222 ( 3.397 2.115 -1.450) 4.257 27.640 ( -6.996 -4.082 0.350) 8.108 27.640 ( -6.996 4.082 0.350) 8.108 27.934 ( -9.987 -5.352 -1.331) 11.409 27.934 ( -9.987 5.352 -1.331) 11.409 29.934 ( -0.120 -0.924 -0.206) 0.955 29.934 ( -0.120 0.924 -0.206) 0.955 30.208 ( -4.521 -2.293 0.821) 5.135 30.208 ( -4.521 2.293 0.821) 5.135 31.122 ( 0.173 -0.983 -0.818) 1.290 31.122 ( 0.173 0.983 -0.818) 1.290 31.714 ( 2.128 -1.207 -1.765) 3.016 31.714 ( 2.128 1.207 -1.765) 3.016 32.446 ( -4.155 -0.868 3.381) 5.426 32.446 ( -4.155 0.868 3.381) 5.426 32.502 ( -1.291 -1.081 3.115) 3.541 32.502 ( -1.291 1.081 3.115) 3.541 33.197 ( -4.150 -7.292 3.756) 9.193 33.197 ( -4.150 7.292 3.756) 9.193 33.721 ( 7.849 -6.411 -3.531) 10.732 33.721 ( 7.849 6.411 -3.531) 10.732 34.268 ( -6.523 -3.371 -1.439) 7.483 34.268 ( -6.523 3.371 -1.439) 7.483 34.550 ( -2.867 -3.745 -1.306) 4.894 34.550 ( -2.867 3.745 -1.306) 4.894 36.133 ( -0.170 -12.373 10.179) 16.023 36.133 ( -0.170 12.373 10.179) 16.023 36.786 ( 14.488 -4.050 -9.075) 17.568 36.786 ( 14.488 4.050 -9.075) 17.568 ======================= Grid point 131 (72/88) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -3.304 -9.808 -2.234) 10.588 2.305 ( -3.304 9.808 -2.234) 10.588 2.660 ( 2.059 -1.691 3.399) 4.319 2.660 ( 2.059 1.691 3.399) 4.319 2.994 ( -6.626 -8.828 -0.012) 11.038 2.994 ( -6.626 8.828 -0.012) 11.038 3.336 ( -2.137 -13.886 8.114) 16.224 3.336 ( -2.137 13.886 8.114) 16.224 3.415 ( -1.070 -17.795 6.980) 19.145 3.415 ( -1.070 17.795 6.980) 19.145 3.690 ( -4.033 -13.928 0.040) 14.500 3.690 ( -4.033 13.928 0.040) 14.500 4.186 ( -5.702 -2.961 -2.100) 6.760 4.186 ( -5.702 2.961 -2.100) 6.760 4.479 ( -5.108 -9.629 8.850) 14.040 4.479 ( -5.108 9.629 8.850) 14.040 4.868 ( -7.550 -6.796 -3.602) 10.778 4.868 ( -7.550 6.796 -3.602) 10.778 4.961 ( -6.414 -7.294 5.330) 11.080 4.961 ( -6.414 7.294 5.330) 11.080 5.263 ( -0.521 -1.688 -0.943) 2.002 5.263 ( -0.521 1.688 -0.943) 2.002 5.550 ( 9.024 -9.962 0.925) 13.473 5.550 ( 9.024 9.962 0.925) 13.473 5.672 ( -4.030 -6.568 -5.796) 9.642 5.672 ( -4.030 6.568 -5.796) 9.642 6.318 ( -2.970 -3.864 -3.524) 6.014 6.318 ( -2.970 3.864 -3.524) 6.014 6.552 ( -6.089 -1.745 -7.168) 9.566 6.552 ( -6.089 1.745 -7.168) 9.566 6.908 ( 3.770 -5.976 -2.201) 7.400 6.908 ( 3.770 5.976 -2.201) 7.400 6.982 ( -1.541 -6.433 4.899) 8.232 6.982 ( -1.541 6.433 4.899) 8.232 7.322 ( -4.549 -3.759 -5.730) 8.225 7.322 ( -4.549 3.759 -5.730) 8.225 7.361 ( 0.657 -2.945 -3.707) 4.779 7.361 ( 0.657 2.945 -3.707) 4.779 7.914 ( -1.251 -8.512 1.588) 8.749 7.914 ( -1.251 8.512 1.588) 8.749 8.210 ( 0.024 -4.668 2.656) 5.371 8.210 ( 0.024 4.668 2.656) 5.371 8.439 ( 1.463 -3.387 4.943) 6.168 8.439 ( 1.463 3.387 4.943) 6.168 8.859 ( -4.383 -0.058 4.094) 5.998 8.859 ( -4.383 0.058 4.094) 5.998 9.140 ( -0.136 -3.776 -1.031) 3.917 9.140 ( -0.136 3.776 -1.031) 3.917 9.425 ( -2.245 -2.798 11.926) 12.454 9.425 ( -2.245 2.798 11.926) 12.454 9.662 ( 8.304 -6.154 9.530) 14.059 9.662 ( 8.304 6.154 9.530) 14.059 9.988 ( 1.941 -4.372 2.344) 5.327 9.988 ( 1.941 4.372 2.344) 5.327 10.442 ( 4.962 -2.802 -15.584) 16.593 10.442 ( 4.962 2.802 -15.584) 16.593 10.692 ( 7.229 -11.964 -11.915) 18.368 10.692 ( 7.229 11.964 -11.915) 18.368 11.072 ( 9.171 -2.328 7.796) 12.260 11.072 ( 9.171 2.328 7.796) 12.260 11.386 ( -3.163 -3.798 -6.593) 8.239 11.386 ( -3.163 3.798 -6.593) 8.239 11.756 ( -1.936 -12.265 5.485) 13.575 11.756 ( -1.936 12.265 5.485) 13.575 12.120 ( 9.707 -13.256 3.959) 16.901 12.120 ( 9.707 13.256 3.959) 16.901 12.398 ( 3.755 -4.789 8.538) 10.485 12.398 ( 3.755 4.789 8.538) 10.485 12.904 ( 6.297 -4.382 1.997) 7.928 12.904 ( 6.297 4.382 1.997) 7.928 13.126 ( 2.865 -4.373 -3.026) 6.040 13.126 ( 2.865 4.373 -3.026) 6.040 13.579 ( -3.946 -3.656 -1.862) 5.692 13.579 ( -3.946 3.656 -1.862) 5.692 13.795 ( 3.956 -5.274 -21.109) 22.114 13.795 ( 3.956 5.274 -21.109) 22.114 14.695 ( 7.862 -0.589 -0.661) 7.912 14.695 ( 7.862 0.589 -0.661) 7.912 14.887 ( 4.061 -1.189 0.830) 4.312 14.887 ( 4.061 1.189 0.830) 4.312 15.518 ( -18.285 -0.943 3.160) 18.580 15.518 ( -18.285 0.943 3.160) 18.580 15.700 ( -8.315 -3.465 -10.642) 13.943 15.700 ( -8.315 3.465 -10.642) 13.943 16.111 ( -3.165 -7.782 5.520) 10.052 16.111 ( -3.165 7.782 5.520) 10.052 16.488 ( -0.858 -3.965 -5.934) 7.189 16.488 ( -0.858 3.965 -5.934) 7.189 17.024 ( -2.817 -5.727 4.770) 7.968 17.024 ( -2.817 5.727 4.770) 7.968 17.215 ( -0.716 -2.920 5.574) 6.333 17.215 ( -0.716 2.920 5.574) 6.333 18.045 ( 1.421 -5.336 -4.431) 7.080 18.045 ( 1.421 5.336 -4.431) 7.080 18.278 ( 6.844 -7.398 7.273) 12.428 18.278 ( 6.844 7.398 7.273) 12.428 18.448 ( -12.827 -8.116 -0.651) 15.193 18.448 ( -12.827 8.116 -0.651) 15.193 19.327 ( -3.684 -3.249 -2.423) 5.477 19.327 ( -3.684 3.249 -2.423) 5.477 22.083 ( 10.884 -4.202 1.721) 11.793 22.083 ( 10.884 4.202 1.721) 11.793 22.279 ( 3.371 -4.270 -1.954) 5.780 22.279 ( 3.371 4.270 -1.954) 5.780 27.502 ( -4.618 -3.423 -0.942) 5.825 27.502 ( -4.618 3.423 -0.942) 5.825 27.717 ( -10.855 -7.579 0.325) 13.243 27.717 ( -10.855 7.579 0.325) 13.243 29.934 ( 0.399 -1.711 -0.429) 1.808 29.934 ( 0.399 1.711 -0.429) 1.808 30.129 ( -3.854 -3.170 1.229) 5.139 30.129 ( -3.854 3.170 1.229) 5.139 31.119 ( 0.154 -0.960 -0.840) 1.285 31.119 ( 0.154 0.960 -0.840) 1.285 31.735 ( 1.417 -0.634 -2.060) 2.580 31.735 ( 1.417 0.634 -2.060) 2.580 32.393 ( -3.335 -1.024 2.992) 4.596 32.393 ( -3.335 1.024 2.992) 4.596 32.515 ( -0.963 -1.859 4.289) 4.772 32.515 ( -0.963 1.859 4.289) 4.772 33.174 ( -1.174 -7.574 5.464) 9.413 33.174 ( -1.174 7.574 5.464) 9.413 33.834 ( 4.996 -8.988 -2.891) 10.681 33.834 ( 4.996 8.988 -2.891) 10.681 34.132 ( -4.805 -3.562 -1.818) 6.251 34.132 ( -4.805 3.562 -1.818) 6.251 34.475 ( -2.819 -2.989 -2.552) 4.837 34.475 ( -2.819 2.989 -2.552) 4.837 36.209 ( -0.289 -10.718 8.888) 13.927 36.209 ( -0.289 10.718 8.888) 13.927 36.995 ( 12.007 -3.508 -8.150) 14.930 36.995 ( 12.007 3.508 -8.150) 14.930 ======================= Grid point 147 (73/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 10.761 0.000 -30.352) 32.203 2.202 ( -10.761 0.000 30.352) 32.203 2.583 ( -2.450 0.000 -12.735) 12.969 2.583 ( 2.450 0.000 12.735) 12.969 2.659 ( 4.040 0.000 -7.638) 8.641 2.659 ( -4.040 0.000 7.638) 8.641 2.993 ( -1.145 0.000 -15.160) 15.203 2.993 ( 1.145 0.000 15.160) 15.203 3.618 ( -7.380 0.000 -3.566) 8.196 3.618 ( 7.380 0.000 3.566) 8.196 3.919 ( -7.211 0.000 -15.096) 16.729 3.919 ( 7.211 0.000 15.096) 16.729 4.305 ( -3.577 0.000 -30.246) 30.457 4.305 ( 3.577 0.000 30.246) 30.457 4.578 ( -7.851 0.000 -14.292) 16.307 4.578 ( 7.851 0.000 14.292) 16.307 4.870 ( -6.913 0.000 -1.806) 7.145 4.870 ( 6.913 0.000 1.806) 7.145 5.109 ( -4.320 0.000 -7.485) 8.642 5.109 ( 4.320 0.000 7.485) 8.642 5.248 ( 2.311 0.000 -0.974) 2.507 5.248 ( -2.311 0.000 0.974) 2.507 5.571 ( -11.359 0.000 -1.721) 11.489 5.571 ( 11.359 0.000 1.721) 11.489 5.708 ( 8.898 0.000 -14.076) 16.652 5.708 ( -8.898 0.000 14.076) 16.652 6.025 ( -4.317 0.000 -3.091) 5.310 6.025 ( 4.317 0.000 3.091) 5.310 6.276 ( 2.676 0.000 -6.386) 6.924 6.276 ( -2.676 0.000 6.386) 6.924 6.590 ( 8.112 0.000 -9.527) 12.513 6.590 ( -8.112 0.000 9.527) 12.513 7.036 ( 13.670 0.000 -11.976) 18.174 7.036 ( -13.670 0.000 11.976) 18.174 7.240 ( -19.533 0.000 4.387) 20.020 7.240 ( 19.533 0.000 -4.387) 20.020 7.450 ( -8.693 0.000 1.874) 8.893 7.450 ( 8.693 0.000 -1.874) 8.893 7.579 ( 1.032 0.000 -5.542) 5.637 7.579 ( -1.032 0.000 5.542) 5.637 8.204 ( -9.256 0.000 2.258) 9.527 8.204 ( 9.256 0.000 -2.258) 9.527 8.452 ( 2.100 0.000 -4.989) 5.413 8.452 ( -2.100 0.000 4.989) 5.413 8.681 ( 14.661 0.000 -13.205) 19.731 8.681 ( -14.661 0.000 13.205) 19.731 9.146 ( -0.853 0.000 -8.125) 8.170 9.146 ( 0.853 0.000 8.125) 8.170 9.552 ( 2.125 0.000 -5.342) 5.749 9.552 ( -2.125 0.000 5.342) 5.749 9.811 ( 3.434 0.000 -1.662) 3.815 9.811 ( -3.434 0.000 1.662) 3.815 10.053 ( 2.104 0.000 -8.211) 8.477 10.053 ( -2.104 0.000 8.211) 8.477 10.393 ( -3.217 0.000 -2.893) 4.327 10.393 ( 3.217 0.000 2.893) 4.327 10.907 ( -8.263 0.000 -5.718) 10.048 10.907 ( 8.263 0.000 5.718) 10.048 11.238 ( 5.855 0.000 -2.552) 6.387 11.238 ( -5.855 0.000 2.552) 6.387 11.385 ( -0.479 0.000 -3.164) 3.200 11.385 ( 0.479 0.000 3.164) 3.200 11.917 ( -4.836 0.000 -5.736) 7.503 11.917 ( 4.836 0.000 5.736) 7.503 12.358 ( -3.839 0.000 -3.361) 5.102 12.358 ( 3.839 0.000 3.361) 5.102 12.796 ( -12.476 0.000 -17.807) 21.743 12.796 ( 12.476 0.000 17.807) 21.743 13.063 ( 4.988 0.000 -5.036) 7.088 13.063 ( -4.988 0.000 5.036) 7.088 13.153 ( -9.629 0.000 -1.916) 9.818 13.153 ( 9.629 0.000 1.916) 9.818 13.386 ( 0.467 0.000 -8.050) 8.063 13.386 ( -0.467 0.000 8.050) 8.063 14.445 ( -8.259 0.000 -6.457) 10.484 14.445 ( 8.259 0.000 6.457) 10.484 14.533 ( -0.732 0.000 -1.352) 1.537 14.533 ( 0.732 0.000 1.352) 1.537 14.802 ( 14.205 0.000 -5.703) 15.307 14.802 ( -14.205 0.000 5.703) 15.307 15.202 ( -9.141 0.000 -1.287) 9.231 15.202 ( 9.141 0.000 1.287) 9.231 15.737 ( -27.745 0.000 0.307) 27.747 15.737 ( 27.745 0.000 -0.307) 27.747 16.216 ( 9.728 0.000 -7.529) 12.302 16.216 ( -9.728 0.000 7.529) 12.302 16.575 ( 1.162 0.000 -4.247) 4.403 16.575 ( -1.162 0.000 4.247) 4.403 16.930 ( -6.279 0.000 -10.572) 12.296 16.930 ( 6.279 0.000 10.572) 12.296 17.304 ( -1.524 0.000 -5.860) 6.055 17.304 ( 1.524 0.000 5.860) 6.055 17.920 ( -0.887 0.000 -0.142) 0.898 17.920 ( 0.887 0.000 0.142) 0.898 18.166 ( -3.813 0.000 -15.446) 15.909 18.166 ( 3.813 0.000 15.446) 15.909 18.541 ( -8.138 0.000 -0.018) 8.138 18.541 ( 8.138 0.000 0.018) 8.138 18.912 ( -4.496 0.000 -7.571) 8.806 18.912 ( 4.496 0.000 7.571) 8.806 21.774 ( 0.086 0.000 -4.867) 4.867 21.774 ( -0.086 0.000 4.867) 4.867 22.515 ( 1.309 0.000 -5.377) 5.534 22.515 ( -1.309 0.000 5.377) 5.534 27.273 ( -0.810 0.000 -0.600) 1.008 27.273 ( 0.810 0.000 0.600) 1.008 27.863 ( -12.731 0.000 -1.276) 12.795 27.863 ( 12.731 0.000 1.276) 12.795 29.888 ( -1.466 0.000 -1.771) 2.299 29.888 ( 1.466 0.000 1.771) 2.299 30.073 ( -3.789 0.000 -2.691) 4.647 30.073 ( 3.789 0.000 2.691) 4.647 30.867 ( 1.409 0.000 -4.115) 4.349 30.867 ( -1.409 0.000 4.115) 4.349 31.696 ( 2.654 0.000 -1.750) 3.179 31.696 ( -2.654 0.000 1.750) 3.179 32.163 ( -0.219 0.000 -0.310) 0.380 32.163 ( 0.219 0.000 0.310) 0.380 32.611 ( 3.012 0.000 -7.410) 7.999 32.611 ( -3.012 0.000 7.410) 7.999 33.107 ( 0.233 0.000 -6.570) 6.574 33.107 ( -0.233 0.000 6.570) 6.574 33.729 ( 7.032 0.000 -2.381) 7.424 33.729 ( -7.032 0.000 2.381) 7.424 34.161 ( -4.537 0.000 -10.338) 11.290 34.161 ( 4.537 0.000 10.338) 11.290 34.603 ( 4.357 0.000 -1.932) 4.766 34.603 ( -4.357 0.000 1.932) 4.766 36.468 ( -2.765 0.000 -17.160) 17.381 36.468 ( 2.765 0.000 17.160) 17.381 37.285 ( -9.986 0.000 -0.341) 9.992 37.285 ( 9.986 0.000 0.341) 9.992 ======================= Grid point 149 (74/88) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 2.103 0.000 -13.310) 13.475 2.415 ( 28.910 0.000 -35.092) 45.467 2.503 ( 12.904 0.000 -4.945) 13.819 2.525 ( -5.199 0.000 1.842) 5.516 2.760 ( 2.050 0.000 3.971) 4.469 2.771 ( 7.115 0.000 8.974) 11.452 2.938 ( 4.843 0.000 -8.377) 9.676 3.230 ( 3.596 0.000 15.317) 15.733 3.549 ( 10.325 0.000 -5.357) 11.632 3.752 ( -1.400 0.000 1.906) 2.365 3.812 ( 4.384 0.000 2.018) 4.826 3.895 ( -2.112 0.000 -27.954) 28.034 4.125 ( -1.743 0.000 19.142) 19.221 4.287 ( -2.869 0.000 2.332) 3.697 4.388 ( 2.882 0.000 -25.302) 25.466 4.837 ( -9.991 0.000 -1.781) 10.148 4.845 ( 2.729 0.000 7.112) 7.617 4.927 ( 0.168 0.000 -2.982) 2.986 5.154 ( -1.871 0.000 -5.451) 5.763 5.166 ( 0.728 0.000 5.350) 5.399 5.290 ( -3.477 0.000 -4.736) 5.876 5.298 ( 2.248 0.000 6.546) 6.921 5.422 ( 15.796 0.000 11.244) 19.389 5.642 ( 7.047 0.000 8.132) 10.761 5.769 ( -10.562 0.000 3.806) 11.227 5.790 ( 1.156 0.000 -14.204) 14.251 5.922 ( 3.411 0.000 11.484) 11.980 6.042 ( 1.684 0.000 -1.024) 1.971 6.297 ( 2.520 0.000 -3.989) 4.718 6.428 ( 10.635 0.000 10.825) 15.175 6.632 ( -0.079 0.000 13.049) 13.050 6.691 ( -3.937 0.000 -4.474) 5.960 6.865 ( -10.388 0.000 9.198) 13.875 6.897 ( -3.414 0.000 4.789) 5.881 7.185 ( 11.193 0.000 -12.890) 17.071 7.319 ( -0.375 0.000 -3.864) 3.882 7.465 ( 3.575 0.000 2.136) 4.164 7.609 ( 6.576 0.000 -5.205) 8.387 7.645 ( 5.003 0.000 8.467) 9.835 7.826 ( 16.756 0.000 -5.759) 17.718 8.052 ( -11.907 0.000 15.795) 19.780 8.347 ( 4.602 0.000 -0.506) 4.629 8.454 ( -1.493 0.000 5.813) 6.001 8.457 ( 1.688 0.000 -0.106) 1.691 8.550 ( -7.503 0.000 13.513) 15.456 8.886 ( 14.396 0.000 -10.007) 17.532 9.062 ( 0.062 0.000 -10.334) 10.334 9.201 ( -0.708 0.000 3.817) 3.882 9.443 ( -11.027 0.000 1.443) 11.121 9.465 ( -3.425 0.000 -9.470) 10.070 9.789 ( -2.082 0.000 1.803) 2.754 9.912 ( 3.976 0.000 3.664) 5.407 10.037 ( 3.227 0.000 -4.292) 5.370 10.038 ( -5.034 0.000 6.275) 8.044 10.250 ( -8.679 0.000 -4.017) 9.564 10.423 ( -2.541 0.000 2.958) 3.899 10.687 ( -8.826 0.000 -4.710) 10.004 11.012 ( -5.276 0.000 -1.504) 5.487 11.164 ( -3.549 0.000 2.059) 4.103 11.271 ( 0.854 0.000 -6.579) 6.634 11.279 ( -1.894 0.000 -3.189) 3.709 11.373 ( 2.546 0.000 -2.812) 3.793 11.796 ( -5.767 0.000 2.502) 6.286 11.990 ( -5.410 0.000 6.625) 8.554 12.209 ( -5.155 0.000 -10.330) 11.545 12.260 ( -11.895 0.000 -13.236) 17.795 12.546 ( 0.689 0.000 -2.625) 2.714 12.809 ( -13.102 0.000 -8.466) 15.599 12.893 ( -7.345 0.000 -3.645) 8.200 13.093 ( -5.234 0.000 15.756) 16.603 13.175 ( 1.523 0.000 3.420) 3.744 13.283 ( -1.497 0.000 6.633) 6.800 13.359 ( 1.201 0.000 -1.278) 1.753 13.494 ( 3.745 0.000 16.752) 17.166 14.248 ( -30.127 0.000 -12.096) 32.465 14.303 ( -1.967 0.000 -1.926) 2.753 14.490 ( 0.433 0.000 -3.127) 3.157 14.521 ( -1.875 0.000 0.614) 1.973 14.656 ( -2.320 0.000 9.449) 9.729 14.925 ( 2.714 0.000 -4.383) 5.155 15.210 ( 10.429 0.000 -0.154) 10.430 15.422 ( 1.696 0.000 2.067) 2.674 15.532 ( 18.548 0.000 3.244) 18.830 16.018 ( 8.836 0.000 -11.073) 14.167 16.215 ( -2.228 0.000 13.734) 13.913 16.497 ( -0.630 0.000 2.896) 2.964 16.599 ( 7.181 0.000 -6.659) 9.793 16.600 ( 3.482 0.000 0.041) 3.482 16.842 ( 14.411 0.000 -3.635) 14.863 17.030 ( -1.573 0.000 3.362) 3.711 17.308 ( 5.310 0.000 -5.723) 7.806 17.389 ( 1.887 0.000 3.594) 4.059 17.871 ( -0.768 0.000 -2.414) 2.533 17.894 ( -1.535 0.000 -0.933) 1.797 17.983 ( -5.291 0.000 -9.802) 11.139 18.354 ( -0.206 0.000 9.510) 9.512 18.441 ( -1.350 0.000 -0.476) 1.431 18.765 ( 7.444 0.000 6.498) 9.881 18.816 ( 2.071 0.000 -4.705) 5.140 19.108 ( 12.315 0.000 5.326) 13.417 21.703 ( -3.335 0.000 -4.247) 5.400 21.775 ( -3.729 0.000 5.065) 6.290 22.398 ( -7.445 0.000 -5.877) 9.485 22.448 ( -8.382 0.000 5.373) 9.956 27.398 ( 10.195 0.000 -2.849) 10.586 27.457 ( 16.007 0.000 8.205) 17.987 27.717 ( -0.921 0.000 1.176) 1.494 28.203 ( 19.809 0.000 -0.868) 19.828 29.865 ( 0.348 0.000 -1.529) 1.568 29.944 ( 1.737 0.000 1.550) 2.328 30.022 ( 1.678 0.000 -2.299) 2.846 30.196 ( 6.539 0.000 1.264) 6.660 30.863 ( 1.509 0.000 -3.993) 4.268 30.870 ( -1.410 0.000 3.833) 4.084 31.640 ( -3.861 0.000 1.353) 4.091 31.707 ( 0.017 0.000 -2.299) 2.299 32.193 ( 2.794 0.000 1.681) 3.261 32.197 ( 1.796 0.000 2.490) 3.070 32.610 ( -1.844 0.000 3.848) 4.267 32.613 ( 3.558 0.000 -9.098) 9.769 33.024 ( -1.124 0.000 -9.266) 9.334 33.099 ( -4.443 0.000 4.893) 6.609 33.647 ( -3.552 0.000 0.120) 3.554 33.885 ( 9.290 0.000 -1.534) 9.416 34.053 ( -0.764 0.000 -0.562) 0.948 34.302 ( -4.260 0.000 11.624) 12.380 34.540 ( 1.332 0.000 -0.661) 1.487 34.651 ( 3.003 0.000 -3.736) 4.793 36.246 ( -3.934 0.000 -20.350) 20.726 36.615 ( -0.400 0.000 14.328) 14.334 36.994 ( -18.986 0.000 3.756) 19.354 37.338 ( -4.301 0.000 -1.508) 4.558 ======================= Grid point 150 (75/88) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 7.797 0.000 -14.708) 16.647 2.343 ( -1.690 0.000 -13.000) 13.109 2.644 ( 3.776 0.000 -2.771) 4.684 2.668 ( 10.355 0.000 -10.004) 14.398 2.768 ( -0.875 0.000 -5.423) 5.493 2.853 ( 4.034 0.000 -9.880) 10.672 3.274 ( 1.873 0.000 -1.956) 2.708 3.289 ( 25.529 0.000 0.809) 25.541 3.709 ( -10.610 0.000 3.379) 11.135 3.807 ( 3.572 0.000 7.604) 8.401 3.913 ( 20.322 0.000 0.736) 20.335 4.082 ( -16.522 0.000 12.759) 20.876 4.113 ( 20.402 0.000 -2.516) 20.556 4.299 ( 7.294 0.000 -23.668) 24.767 4.474 ( 12.907 0.000 2.610) 13.169 4.623 ( -14.849 0.000 -3.108) 15.171 4.694 ( 6.550 0.000 5.973) 8.864 4.939 ( -1.943 0.000 5.570) 5.899 5.012 ( -3.504 0.000 -5.009) 6.113 5.191 ( -4.916 0.000 -7.065) 8.607 5.300 ( 4.889 0.000 -10.023) 11.152 5.372 ( 8.453 0.000 5.912) 10.316 5.418 ( -16.258 0.000 -6.233) 17.412 5.776 ( 4.326 0.000 11.652) 12.429 5.832 ( -0.697 0.000 0.315) 0.765 5.901 ( 12.795 0.000 7.841) 15.006 6.112 ( 6.319 0.000 -7.671) 9.938 6.163 ( 12.730 0.000 13.268) 18.387 6.312 ( 1.029 0.000 -0.533) 1.158 6.559 ( -1.203 0.000 -1.070) 1.610 6.564 ( -10.337 0.000 5.206) 11.574 6.682 ( -4.899 0.000 15.907) 16.644 6.929 ( 10.049 0.000 6.992) 12.242 7.017 ( 9.281 0.000 -3.659) 9.976 7.286 ( 10.097 0.000 -15.195) 18.244 7.308 ( 1.349 0.000 0.847) 1.593 7.495 ( 1.397 0.000 -4.152) 4.380 7.788 ( -1.360 0.000 2.452) 2.804 7.792 ( 9.691 0.000 4.296) 10.601 7.959 ( -9.243 0.000 30.006) 31.397 7.973 ( 1.504 0.000 2.066) 2.555 8.308 ( -4.082 0.000 -6.682) 7.830 8.418 ( -7.250 0.000 7.318) 10.301 8.552 ( 3.783 0.000 2.805) 4.709 8.702 ( 10.947 0.000 5.613) 12.302 8.982 ( -1.592 0.000 -7.924) 8.082 9.045 ( 7.534 0.000 -7.563) 10.676 9.160 ( -4.760 0.000 -0.986) 4.861 9.204 ( -9.079 0.000 -1.700) 9.236 9.304 ( -5.640 0.000 -7.882) 9.692 9.771 ( -0.063 0.000 0.988) 0.990 9.905 ( -7.169 0.000 4.820) 8.638 10.008 ( -10.118 0.000 -5.109) 11.335 10.041 ( 1.573 0.000 2.505) 2.958 10.120 ( 5.640 0.000 0.314) 5.649 10.360 ( -6.030 0.000 4.951) 7.802 10.503 ( -6.695 0.000 -3.445) 7.530 10.703 ( -14.007 0.000 -12.605) 18.844 11.117 ( -1.026 0.000 0.837) 1.324 11.207 ( -0.475 0.000 -2.708) 2.750 11.407 ( 0.569 0.000 -1.372) 1.486 11.410 ( 9.330 0.000 1.963) 9.534 11.729 ( -5.138 0.000 7.932) 9.450 11.769 ( -13.045 0.000 -1.748) 13.162 11.979 ( -8.970 0.000 -14.181) 16.780 11.998 ( -8.285 0.000 -3.765) 9.100 12.493 ( -2.459 0.000 -13.180) 13.407 12.594 ( -19.733 0.000 -1.260) 19.773 12.657 ( 0.216 0.000 3.837) 3.843 12.980 ( -7.423 0.000 -1.959) 7.677 13.164 ( -3.996 0.000 2.262) 4.592 13.164 ( -8.012 0.000 -1.991) 8.255 13.435 ( 4.559 0.000 3.286) 5.619 13.657 ( -1.154 0.000 -0.695) 1.348 13.898 ( 2.367 0.000 11.498) 11.739 14.263 ( -1.900 0.000 -1.089) 2.190 14.521 ( 3.114 0.000 0.361) 3.135 14.528 ( 3.836 0.000 -3.806) 5.404 14.658 ( -3.205 0.000 7.618) 8.264 14.885 ( -3.500 0.000 -1.909) 3.987 15.507 ( 16.740 0.000 1.601) 16.817 15.557 ( 6.959 0.000 3.562) 7.818 15.890 ( 12.156 0.000 2.739) 12.461 16.084 ( 6.660 0.000 -9.251) 11.399 16.278 ( -3.479 0.000 13.117) 13.570 16.292 ( -8.482 0.000 -11.607) 14.376 16.692 ( 2.912 0.000 3.457) 4.520 16.706 ( 4.764 0.000 3.615) 5.980 17.035 ( 0.932 0.000 3.900) 4.010 17.183 ( 11.542 0.000 0.153) 11.543 17.328 ( 3.469 0.000 -10.626) 11.178 17.414 ( -1.833 0.000 2.315) 2.952 17.827 ( -3.350 0.000 -4.783) 5.839 17.891 ( 3.172 0.000 0.126) 3.174 17.905 ( 5.117 0.000 -4.345) 6.713 18.235 ( -7.766 0.000 -3.203) 8.401 18.449 ( 0.089 0.000 -2.800) 2.801 18.821 ( -5.419 0.000 5.832) 7.961 18.979 ( 11.575 0.000 6.300) 13.178 19.413 ( 8.770 0.000 6.059) 10.659 21.595 ( -4.052 0.000 -3.021) 5.054 21.699 ( -7.660 0.000 3.787) 8.545 22.226 ( -3.921 0.000 -3.404) 5.192 22.320 ( -7.541 0.000 4.465) 8.763 27.571 ( 10.012 0.000 -5.996) 11.670 27.660 ( 0.206 0.000 6.389) 6.393 28.083 ( 20.441 0.000 24.187) 31.668 28.555 ( 17.419 0.000 -7.416) 18.932 29.870 ( 1.125 0.000 -1.326) 1.739 29.945 ( -0.727 0.000 -1.120) 1.335 30.123 ( 6.876 0.000 1.942) 7.145 30.323 ( 5.316 0.000 -0.908) 5.393 30.867 ( 1.931 0.000 -3.621) 4.103 30.874 ( -1.081 0.000 3.560) 3.720 31.582 ( -2.789 0.000 1.513) 3.173 31.666 ( -1.956 0.000 -2.462) 3.144 32.263 ( 1.806 0.000 4.772) 5.103 32.289 ( 4.723 0.000 2.302) 5.255 32.588 ( 1.073 0.000 -9.645) 9.704 32.589 ( -1.225 0.000 -1.269) 1.763 32.966 ( 2.814 0.000 -7.700) 8.198 33.056 ( -5.448 0.000 10.959) 12.239 33.556 ( -3.544 0.000 -4.129) 5.442 33.962 ( -4.927 0.000 -7.979) 9.378 34.121 ( 3.863 0.000 6.186) 7.293 34.179 ( -1.290 0.000 -1.320) 1.846 34.668 ( 4.370 0.000 6.713) 8.011 34.674 ( 2.293 0.000 -3.150) 3.896 36.053 ( 2.253 0.000 -19.440) 19.570 36.605 ( -17.626 0.000 8.234) 19.455 36.730 ( -4.408 0.000 11.164) 12.003 37.148 ( -8.891 0.000 -7.918) 11.906 ======================= Grid point 151 (76/88) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 3.765 0.000 -0.695) 3.828 2.360 ( 4.065 0.000 -5.233) 6.627 2.624 ( -0.618 0.000 -3.560) 3.613 2.667 ( -4.473 0.000 -1.654) 4.769 2.790 ( 8.569 0.000 -6.727) 10.894 2.875 ( 0.936 0.000 -4.016) 4.124 3.378 ( 7.499 0.000 3.268) 8.180 3.516 ( -0.429 0.000 -8.168) 8.180 3.775 ( 10.273 0.000 -3.187) 10.756 3.854 ( -1.627 0.000 5.895) 6.115 3.869 ( -11.526 0.000 16.336) 19.993 3.998 ( 0.209 0.000 -13.130) 13.132 4.261 ( 8.127 0.000 -20.884) 22.409 4.331 ( -17.627 0.000 15.447) 23.437 4.445 ( 7.900 0.000 12.549) 14.828 4.609 ( -1.651 0.000 -3.591) 3.953 4.908 ( -0.407 0.000 1.092) 1.165 4.913 ( 0.545 0.000 -3.845) 3.883 5.177 ( 1.742 0.000 3.195) 3.639 5.181 ( 2.565 0.000 -3.111) 4.032 5.289 ( 22.328 0.000 -4.064) 22.695 5.390 ( 16.450 0.000 -2.136) 16.588 5.514 ( -3.842 0.000 6.773) 7.786 5.671 ( -10.169 0.000 -3.929) 10.902 5.961 ( 6.551 0.000 3.323) 7.346 6.032 ( -1.257 0.000 3.942) 4.137 6.163 ( 6.280 0.000 -5.964) 8.661 6.353 ( -10.218 0.000 3.468) 10.790 6.354 ( 4.071 0.000 -1.545) 4.354 6.474 ( 6.708 0.000 -6.469) 9.319 6.563 ( -18.292 0.000 24.670) 30.712 6.595 ( 4.152 0.000 -7.105) 8.229 7.134 ( 2.356 0.000 5.923) 6.374 7.145 ( 7.720 0.000 -11.009) 13.446 7.335 ( 7.242 0.000 -14.645) 16.338 7.345 ( -2.695 0.000 9.768) 10.133 7.563 ( 8.561 0.000 0.264) 8.565 7.749 ( -3.289 0.000 0.300) 3.303 7.800 ( -8.558 0.000 14.632) 16.951 7.931 ( -2.345 0.000 0.108) 2.347 8.169 ( -0.094 0.000 -4.134) 4.135 8.241 ( 2.186 0.000 -1.649) 2.738 8.354 ( -1.162 0.000 22.046) 22.076 8.554 ( -1.804 0.000 -9.956) 10.118 8.893 ( 0.201 0.000 4.911) 4.915 8.938 ( 5.037 0.000 5.174) 7.221 8.993 ( -3.353 0.000 -11.950) 12.411 9.095 ( -2.895 0.000 1.565) 3.291 9.128 ( 3.639 0.000 -11.116) 11.696 9.131 ( -7.145 0.000 2.064) 7.437 9.766 ( -0.148 0.000 -1.572) 1.579 9.810 ( -4.713 0.000 1.274) 4.882 9.920 ( 3.704 0.000 2.654) 4.556 10.043 ( -3.043 0.000 -2.297) 3.813 10.235 ( 5.000 0.000 1.883) 5.342 10.307 ( -3.448 0.000 8.746) 9.401 10.368 ( -3.322 0.000 -5.042) 6.038 10.387 ( -8.151 0.000 -8.284) 11.621 11.143 ( 4.349 0.000 -1.609) 4.637 11.227 ( -2.012 0.000 3.928) 4.413 11.357 ( 0.484 0.000 1.188) 1.282 11.556 ( -5.144 0.000 -7.457) 9.059 11.640 ( -0.270 0.000 5.217) 5.224 11.654 ( 3.127 0.000 -3.802) 4.922 11.744 ( -4.524 0.000 -0.032) 4.524 11.815 ( -7.829 0.000 -2.539) 8.230 12.315 ( -6.573 0.000 4.052) 7.722 12.350 ( -1.598 0.000 -10.865) 10.982 12.726 ( 2.626 0.000 4.410) 5.132 12.832 ( -4.581 0.000 -4.966) 6.756 13.068 ( 1.029 0.000 -4.979) 5.084 13.096 ( -4.635 0.000 3.956) 6.094 13.544 ( 3.296 0.000 3.248) 4.627 13.610 ( -1.254 0.000 -2.784) 3.053 14.098 ( 3.108 0.000 13.645) 13.995 14.209 ( -1.110 0.000 -5.728) 5.835 14.574 ( 4.949 0.000 -8.340) 9.698 14.578 ( -1.825 0.000 8.412) 8.608 14.681 ( 2.915 0.000 0.758) 3.012 14.779 ( -5.929 0.000 0.134) 5.930 15.735 ( 7.393 0.000 5.373) 9.140 15.809 ( 8.262 0.000 2.397) 8.603 16.026 ( 0.720 0.000 1.035) 1.261 16.046 ( -3.382 0.000 -11.727) 12.204 16.153 ( 6.364 0.000 -8.200) 10.380 16.245 ( -8.529 0.000 9.087) 12.463 16.768 ( 1.714 0.000 3.356) 3.769 16.791 ( 1.112 0.000 0.889) 1.424 17.139 ( 4.941 0.000 5.273) 7.226 17.251 ( -2.404 0.000 -0.793) 2.532 17.319 ( 5.032 0.000 -11.004) 12.100 17.364 ( -5.443 0.000 5.097) 7.457 17.815 ( 2.164 0.000 4.571) 5.058 17.923 ( -0.665 0.000 -8.803) 8.828 17.975 ( 4.415 0.000 1.534) 4.674 18.084 ( -4.537 0.000 -3.608) 5.797 18.499 ( 8.439 0.000 -1.841) 8.638 18.689 ( -10.553 0.000 2.924) 10.950 19.270 ( 11.379 0.000 5.844) 12.792 19.468 ( -4.769 0.000 -0.530) 4.799 21.525 ( -0.330 0.000 -1.880) 1.908 21.569 ( -6.047 0.000 1.681) 6.277 22.196 ( 1.271 0.000 -0.827) 1.516 22.235 ( -3.953 0.000 2.442) 4.646 27.680 ( 6.205 0.000 -7.364) 9.630 27.701 ( -1.948 0.000 7.276) 7.532 28.573 ( 5.970 0.000 27.344) 27.988 28.722 ( 8.314 0.000 -17.461) 19.339 29.886 ( 1.270 0.000 -0.487) 1.360 29.915 ( -1.386 0.000 -0.804) 1.602 30.276 ( 5.449 0.000 3.553) 6.505 30.362 ( -0.139 0.000 -3.019) 3.022 30.879 ( 1.902 0.000 -3.485) 3.970 30.881 ( -1.193 0.000 3.551) 3.746 31.567 ( -0.020 0.000 1.939) 1.939 31.605 ( -1.974 0.000 -2.249) 2.992 32.337 ( 0.736 0.000 6.975) 7.014 32.373 ( 2.642 0.000 -3.332) 4.252 32.532 ( -0.217 0.000 -2.795) 2.803 32.550 ( -0.809 0.000 -3.030) 3.136 33.006 ( 6.381 0.000 -7.645) 9.958 33.051 ( -5.748 0.000 13.039) 14.250 33.498 ( 0.585 0.000 2.014) 2.097 33.664 ( -9.520 0.000 -13.226) 16.296 34.235 ( 1.718 0.000 5.065) 5.348 34.240 ( 3.930 0.000 -2.482) 4.648 34.703 ( 2.914 0.000 -2.169) 3.633 34.736 ( -1.677 0.000 3.838) 4.188 36.070 ( 12.276 0.000 -13.179) 18.010 36.293 ( -18.155 0.000 9.103) 20.310 36.795 ( 0.417 0.000 11.251) 11.259 36.931 ( -4.873 0.000 -10.611) 11.676 ======================= Grid point 155 (77/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 6.491 4.814 -22.364) 23.779 2.291 ( -6.491 4.814 22.364) 23.779 2.491 ( 1.201 -0.900 -20.205) 20.260 2.491 ( -1.201 -0.900 20.205) 20.260 2.751 ( 0.142 3.507 -3.932) 5.271 2.751 ( -0.142 3.507 3.932) 5.271 3.073 ( -0.493 7.237 -17.978) 19.387 3.073 ( 0.493 7.237 17.978) 19.387 3.625 ( -7.285 0.126 -1.688) 7.480 3.625 ( 7.285 0.126 1.688) 7.480 3.967 ( -5.742 3.302 -14.207) 15.675 3.967 ( 5.742 3.302 14.207) 15.675 4.306 ( 0.221 1.077 -19.107) 19.139 4.306 ( -0.221 1.077 19.107) 19.139 4.629 ( -13.753 -2.553 -6.110) 15.264 4.629 ( 13.753 -2.553 6.110) 15.264 4.811 ( -2.796 -1.164 -14.359) 14.675 4.811 ( 2.796 -1.164 14.359) 14.675 5.038 ( 1.711 -5.060 -11.160) 12.372 5.038 ( -1.711 -5.060 11.160) 12.372 5.217 ( 1.116 -2.150 -6.491) 6.928 5.217 ( -1.116 -2.150 6.491) 6.928 5.557 ( 4.499 -3.795 -13.972) 15.161 5.557 ( -4.499 -3.795 13.972) 15.161 5.669 ( -3.119 -3.346 -11.084) 11.991 5.669 ( 3.119 -3.346 11.084) 11.991 5.909 ( -7.025 1.670 -1.128) 7.308 5.909 ( 7.025 1.670 1.128) 7.308 6.373 ( -1.389 1.054 -2.625) 3.152 6.373 ( 1.389 1.054 2.625) 3.152 6.639 ( -3.359 4.692 -6.327) 8.563 6.639 ( 3.359 4.692 6.327) 8.563 7.112 ( 4.368 3.816 -9.298) 10.959 7.112 ( -4.368 3.816 9.298) 10.959 7.210 ( -15.647 -3.017 2.497) 16.130 7.210 ( 15.647 -3.017 -2.497) 16.130 7.484 ( 7.105 1.701 -5.890) 9.384 7.484 ( -7.105 1.701 5.890) 9.384 7.609 ( 1.211 5.296 -7.382) 9.166 7.609 ( -1.211 5.296 7.382) 9.166 8.212 ( -6.987 1.198 0.761) 7.130 8.212 ( 6.987 1.198 -0.761) 7.130 8.499 ( 0.675 2.738 -1.623) 3.253 8.499 ( -0.675 2.738 1.623) 3.253 8.726 ( 12.999 3.792 -12.095) 18.156 8.726 ( -12.999 3.792 12.095) 18.156 9.179 ( -1.416 2.486 -6.494) 7.096 9.179 ( 1.416 2.486 6.494) 7.096 9.537 ( 0.259 -2.169 -12.897) 13.081 9.537 ( -0.259 -2.169 12.897) 13.081 9.712 ( -2.495 -2.457 -1.347) 3.752 9.712 ( 2.495 -2.457 1.347) 3.752 10.171 ( 2.243 5.356 -12.023) 13.352 10.171 ( -2.243 5.356 12.023) 13.352 10.308 ( -2.758 -5.712 -0.828) 6.397 10.308 ( 2.758 -5.712 0.828) 6.397 10.856 ( -6.228 -4.001 -9.600) 12.123 10.856 ( 6.228 -4.001 9.600) 12.123 11.237 ( 3.606 -0.906 -4.750) 6.032 11.237 ( -3.606 -0.906 4.750) 6.032 11.396 ( 0.698 -0.398 -10.064) 10.096 11.396 ( -0.698 -0.398 10.064) 10.096 11.859 ( -8.220 -3.179 -11.169) 14.228 11.859 ( 8.220 -3.179 11.169) 14.228 12.344 ( -4.186 -0.672 -4.463) 6.155 12.344 ( 4.186 -0.672 4.463) 6.155 12.806 ( -6.983 -0.689 -12.998) 14.772 12.806 ( 6.983 -0.689 12.998) 14.772 13.078 ( 0.908 2.658 -9.176) 9.596 13.078 ( -0.908 2.658 9.176) 9.596 13.125 ( -12.106 -2.698 -9.476) 15.608 13.125 ( 12.106 -2.698 9.476) 15.608 13.425 ( -2.707 1.758 -6.868) 7.588 13.425 ( 2.707 1.758 6.868) 7.588 14.022 ( 1.673 -27.849 -9.025) 29.322 14.022 ( -1.673 -27.849 9.025) 29.322 14.660 ( -0.382 5.515 -2.660) 6.134 14.660 ( 0.382 5.515 2.660) 6.134 14.859 ( 0.781 3.387 -2.445) 4.250 14.859 ( -0.781 3.387 2.445) 4.250 15.243 ( -9.184 3.178 -0.841) 9.755 15.243 ( 9.184 3.178 0.841) 9.755 15.647 ( -20.054 -7.686 -2.978) 21.681 15.647 ( 20.054 -7.686 2.978) 21.681 16.146 ( -4.465 -3.733 -5.076) 7.723 16.146 ( 4.465 -3.733 5.076) 7.723 16.427 ( 1.417 -4.901 -6.246) 8.065 16.427 ( -1.417 -4.901 6.246) 8.065 17.046 ( -3.807 4.847 -6.046) 8.633 17.046 ( 3.807 4.847 6.046) 8.633 17.314 ( 1.975 0.344 -4.755) 5.160 17.314 ( -1.975 0.344 4.755) 5.160 18.060 ( -3.672 2.664 -5.509) 7.136 18.060 ( 3.672 2.664 5.509) 7.136 18.172 ( -5.807 6.031 -9.482) 12.649 18.172 ( 5.807 6.031 9.482) 12.649 18.475 ( 0.064 -3.671 -2.080) 4.220 18.475 ( -0.064 -3.671 2.080) 4.220 19.015 ( -1.578 7.210 -7.471) 10.502 19.015 ( 1.578 7.210 7.471) 10.502 21.870 ( -0.962 7.867 -2.612) 8.345 21.870 ( 0.962 7.867 2.612) 8.345 22.484 ( 1.366 -2.805 -4.825) 5.746 22.484 ( -1.366 -2.805 4.825) 5.746 27.303 ( -2.623 2.754 -0.515) 3.838 27.303 ( 2.623 2.754 0.515) 3.838 27.813 ( -11.564 -4.447 -1.377) 12.466 27.813 ( 11.564 -4.447 1.377) 12.466 29.899 ( -1.545 0.875 -1.609) 2.396 29.899 ( 1.545 0.875 1.609) 2.396 30.087 ( -3.480 1.020 -2.493) 4.401 30.087 ( 3.480 1.020 2.493) 4.401 30.935 ( 1.017 5.518 -2.142) 6.006 30.935 ( -1.017 5.518 2.142) 6.006 31.697 ( 2.398 0.223 -1.548) 2.863 31.697 ( -2.398 0.223 1.548) 2.863 32.220 ( 1.015 4.713 -1.353) 5.007 32.220 ( -1.015 4.713 1.353) 5.007 32.603 ( 2.962 -0.755 -6.389) 7.083 32.603 ( -2.962 -0.755 6.389) 7.083 33.151 ( 0.686 3.961 -7.686) 8.674 33.151 ( -0.686 3.961 7.686) 8.674 33.744 ( -2.030 1.163 -1.928) 3.032 33.744 ( 2.030 1.163 1.928) 3.032 34.142 ( -2.382 -1.550 -9.881) 10.281 34.142 ( 2.382 -1.550 9.881) 10.281 34.557 ( -0.867 -4.048 -2.273) 4.723 34.557 ( 0.867 -4.048 2.273) 4.723 36.436 ( -2.244 -2.663 -15.684) 16.066 36.436 ( 2.244 -2.663 15.684) 16.066 37.198 ( -0.019 -6.801 -5.701) 8.874 37.198 ( 0.019 -6.801 5.701) 8.874 ======================= Grid point 157 (78/88) ======================= q-point: ( 0.14 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 3.001 -4.234 -17.651) 18.398 2.433 ( 8.728 0.805 0.326) 8.771 2.601 ( 21.438 9.548 -24.072) 33.619 2.638 ( 4.129 4.167 -1.417) 6.035 2.731 ( 0.345 1.958 3.675) 4.178 2.806 ( 6.974 1.745 6.120) 9.441 2.998 ( 5.249 6.258 -11.939) 14.466 3.284 ( 3.224 4.457 16.260) 17.165 3.548 ( 2.347 -3.125 -1.401) 4.152 3.667 ( -1.494 -0.374 -2.940) 3.319 3.885 ( 1.997 1.956 -3.488) 4.470 4.000 ( 0.129 8.288 -17.708) 19.552 4.111 ( -2.795 -5.083 16.274) 17.277 4.302 ( 0.453 5.334 4.528) 7.011 4.449 ( 3.665 2.315 -24.179) 24.565 4.717 ( -3.993 -3.010 -4.603) 6.796 4.870 ( 0.243 -2.193 0.966) 2.409 4.966 ( 4.253 -0.055 -3.455) 5.480 5.068 ( 1.637 -9.717 3.895) 10.596 5.153 ( 10.488 -8.211 0.727) 13.340 5.198 ( -8.363 0.551 0.711) 8.411 5.301 ( 2.011 3.665 -3.396) 5.386 5.485 ( 1.609 2.029 4.868) 5.514 5.571 ( 8.072 -7.193 6.213) 12.469 5.624 ( -0.680 -4.076 8.182) 9.167 5.805 ( 1.340 0.471 -7.540) 7.673 5.906 ( 5.233 1.760 13.877) 14.935 6.088 ( 5.782 4.757 5.417) 9.242 6.329 ( -5.164 -6.517 0.505) 8.331 6.475 ( 5.739 2.635 1.367) 6.461 6.527 ( -2.464 2.500 4.362) 5.599 6.742 ( 0.144 4.654 12.041) 12.910 6.860 ( -13.870 0.665 8.659) 16.364 7.101 ( 0.368 7.626 -2.346) 7.987 7.225 ( 8.585 3.120 -6.195) 11.037 7.310 ( 2.247 -1.588 -6.082) 6.676 7.516 ( 3.343 5.683 2.125) 6.927 7.570 ( 2.364 -1.797 -5.591) 6.331 7.660 ( 4.184 -3.595 4.005) 6.817 7.816 ( 17.826 2.529 -3.781) 18.398 8.086 ( -9.758 2.735 13.057) 16.528 8.311 ( 1.789 -1.559 0.897) 2.537 8.483 ( -2.462 2.025 1.411) 3.486 8.516 ( 1.340 3.297 2.274) 4.223 8.601 ( -6.605 4.524 11.610) 14.103 8.901 ( 11.234 1.981 -10.120) 15.249 9.111 ( 1.051 3.231 -7.556) 8.284 9.230 ( -1.441 2.038 3.195) 4.055 9.353 ( -6.454 -4.300 -11.059) 13.507 9.503 ( -9.732 1.504 9.337) 13.570 9.718 ( 2.787 -3.372 -4.906) 6.573 9.811 ( 2.043 -3.844 1.526) 4.613 10.091 ( -0.131 3.743 -8.174) 8.991 10.162 ( -7.700 -1.866 8.387) 11.538 10.238 ( -2.536 4.889 -0.060) 5.508 10.332 ( -1.912 -6.969 0.980) 7.293 10.666 ( -5.536 -0.749 -5.516) 7.851 11.028 ( 2.723 -5.277 5.661) 8.204 11.120 ( -8.290 -0.584 -2.826) 8.778 11.209 ( -1.637 -3.831 -13.847) 14.461 11.295 ( -4.247 3.342 -3.203) 6.282 11.401 ( 0.317 0.983 1.715) 2.002 11.635 ( -8.056 -11.349 3.540) 14.360 11.989 ( -3.880 -0.854 3.206) 5.105 12.180 ( -5.702 0.244 -7.299) 9.265 12.374 ( -4.261 4.080 -5.019) 7.745 12.564 ( -4.032 3.500 -4.803) 7.181 12.744 ( -15.198 -6.695 -5.957) 17.644 12.919 ( -1.690 0.375 1.600) 2.357 13.013 ( -6.948 -1.792 -0.824) 7.223 13.235 ( 1.592 2.183 9.096) 9.489 13.284 ( -4.288 -2.406 3.518) 6.045 13.341 ( 1.136 0.322 1.052) 1.581 13.541 ( 3.322 2.115 12.663) 13.262 13.840 ( -14.871 -25.060 -3.087) 29.303 13.990 ( 1.063 -20.826 -1.422) 20.902 14.598 ( -2.895 4.371 -0.885) 5.317 14.665 ( -4.775 0.983 5.417) 7.288 14.733 ( -8.563 9.346 -4.893) 13.588 14.931 ( 2.818 0.490 -4.180) 5.065 15.253 ( 11.970 3.914 4.284) 13.302 15.428 ( 4.807 0.944 3.721) 6.152 15.533 ( 15.948 0.844 0.639) 15.983 15.949 ( 10.207 -7.518 -5.057) 13.649 16.066 ( -0.901 -7.246 5.114) 8.914 16.409 ( 5.989 -6.058 -0.340) 8.525 16.459 ( 3.472 -2.256 5.411) 6.814 16.647 ( 20.113 -7.364 1.133) 21.449 16.852 ( -7.533 5.889 -9.106) 13.204 17.082 ( -0.837 3.248 0.525) 3.395 17.342 ( 2.044 -2.808 1.631) 3.837 17.385 ( 6.401 2.734 -4.203) 8.131 17.933 ( -1.912 2.706 -4.028) 5.215 17.973 ( -7.362 6.650 -5.648) 11.416 18.095 ( -1.751 6.932 -3.398) 7.916 18.337 ( 3.735 -2.700 5.856) 7.452 18.411 ( -4.758 0.813 -0.366) 4.841 18.677 ( 11.696 -4.838 4.220) 13.342 18.939 ( -0.877 8.152 2.940) 8.711 19.189 ( 10.247 5.315 3.175) 11.972 21.778 ( -6.000 6.510 -1.970) 9.070 21.868 ( -3.781 7.312 3.141) 8.810 22.379 ( -6.847 -1.807 -5.301) 8.846 22.417 ( -8.006 -2.811 4.809) 9.754 27.391 ( 9.770 -0.163 0.516) 9.785 27.483 ( 13.405 2.461 3.459) 14.061 27.680 ( -0.875 -3.259 0.378) 3.395 28.123 ( 17.746 -7.034 -0.400) 19.093 29.873 ( 0.115 0.757 -1.154) 1.385 29.950 ( 1.258 0.249 1.385) 1.888 30.043 ( 1.827 1.766 -2.193) 3.357 30.205 ( 6.396 0.367 1.051) 6.492 30.933 ( -0.823 5.241 1.997) 5.669 30.942 ( 0.913 6.084 -1.027) 6.238 31.648 ( -3.518 0.741 1.529) 3.907 31.710 ( 0.147 0.249 -1.795) 1.818 32.239 ( 0.897 3.705 3.433) 5.130 32.262 ( 3.622 5.538 0.328) 6.625 32.599 ( -1.542 -0.984 3.354) 3.821 32.614 ( 3.593 -0.041 -8.229) 8.979 33.067 ( -0.976 3.879 -9.944) 10.719 33.146 ( -4.332 4.058 5.387) 8.016 33.651 ( -3.978 0.315 -1.111) 4.142 33.894 ( 8.063 0.882 0.721) 8.144 34.077 ( 1.573 2.092 -1.314) 2.928 34.231 ( -5.407 -5.955 8.529) 11.723 34.509 ( 2.474 -2.708 0.171) 3.672 34.629 ( 3.883 -2.436 -2.526) 5.234 36.238 ( -3.724 -0.429 -17.794) 18.184 36.564 ( -0.842 -4.493 13.528) 14.280 36.948 ( -17.421 -3.526 3.982) 18.215 37.228 ( -3.802 -8.814 -3.212) 10.122 ======================= Grid point 158 (79/88) ======================= q-point: ( 0.29 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 6.414 -0.903 -10.640) 12.456 2.514 ( -3.253 7.916 -6.887) 10.985 2.578 ( 5.991 -3.536 -4.129) 8.089 2.672 ( -0.780 0.096 -6.282) 6.331 2.800 ( 6.825 4.558 -12.685) 15.109 2.924 ( 3.505 4.624 -7.487) 9.472 3.199 ( 10.575 -0.387 -4.754) 11.601 3.404 ( 10.107 3.493 -4.445) 11.580 3.571 ( -0.499 -6.520 8.808) 10.970 3.886 ( 11.460 -0.071 12.989) 17.322 3.921 ( 0.869 2.846 1.495) 3.330 4.040 ( 2.918 -2.642 1.914) 4.377 4.234 ( 1.574 4.897 3.547) 6.248 4.380 ( 8.253 10.029 -17.152) 21.515 4.425 ( 11.610 -1.633 1.338) 11.801 4.625 ( 4.646 4.048 -2.940) 6.827 4.812 ( -3.830 -2.239 -5.741) 7.255 4.947 ( -1.359 4.120 0.735) 4.400 5.020 ( -2.757 1.616 -2.559) 4.094 5.149 ( 0.157 -5.370 -0.657) 5.412 5.247 ( 1.239 -1.890 -2.359) 3.266 5.290 ( 4.289 -1.794 -5.687) 7.345 5.462 ( -5.132 -4.027 4.124) 7.717 5.722 ( -2.442 4.482 2.204) 5.560 5.783 ( 1.178 -3.563 -1.795) 4.160 5.851 ( 13.644 -4.968 1.943) 14.649 6.133 ( 3.533 -2.180 7.032) 8.166 6.204 ( 4.877 1.817 9.701) 11.009 6.336 ( 7.607 -5.363 2.874) 9.741 6.453 ( -1.541 9.212 0.615) 9.360 6.624 ( -10.148 3.656 11.659) 15.884 6.830 ( 3.717 -0.819 9.275) 10.025 6.887 ( 7.058 4.471 10.034) 13.057 7.088 ( 2.828 3.309 -7.319) 8.516 7.276 ( 4.486 -2.261 -3.574) 6.165 7.381 ( 7.901 4.082 -9.515) 13.024 7.464 ( -3.340 1.347 -5.997) 6.995 7.735 ( 6.846 -3.700 5.798) 9.704 7.757 ( 2.033 -5.439 4.412) 7.293 8.020 ( 1.813 3.881 14.787) 15.395 8.047 ( -4.504 6.686 8.993) 12.078 8.290 ( -2.746 -1.068 -6.408) 7.053 8.424 ( -6.874 0.022 5.369) 8.722 8.524 ( 1.450 -1.649 0.861) 2.359 8.740 ( 8.446 3.245 8.049) 12.110 8.939 ( -0.400 0.705 -6.719) 6.768 9.069 ( -3.992 -1.272 -1.422) 4.425 9.166 ( 1.847 -1.381 -9.733) 10.002 9.201 ( -4.281 3.123 -4.872) 7.198 9.347 ( -9.862 3.599 2.555) 10.804 9.708 ( 0.871 -5.165 -3.249) 6.164 9.770 ( -4.706 -7.852 -0.392) 9.163 9.973 ( -9.610 -2.909 0.810) 10.073 10.097 ( 0.377 2.745 -5.295) 5.976 10.215 ( -5.686 -0.668 5.181) 7.721 10.288 ( 1.716 1.734 0.891) 2.597 10.564 ( -3.429 3.654 -1.476) 5.224 10.765 ( -13.651 4.294 -13.613) 19.751 11.068 ( 2.121 -13.239 -4.685) 14.203 11.114 ( 0.158 -1.581 -4.641) 4.906 11.273 ( -2.799 -0.787 7.563) 8.103 11.490 ( 4.444 1.862 4.687) 6.722 11.567 ( -5.384 -10.269 11.604) 16.404 11.797 ( -8.357 0.947 -6.882) 10.867 11.985 ( -9.484 1.407 -9.216) 13.299 12.202 ( -7.212 11.778 -4.534) 14.536 12.421 ( -6.070 -4.637 -12.701) 14.822 12.516 ( -10.715 -6.085 1.678) 12.437 12.747 ( -6.104 2.667 -5.668) 8.746 12.875 ( -4.941 -4.069 0.277) 6.407 13.119 ( -7.085 -6.001 -1.804) 9.458 13.206 ( -6.330 1.651 1.667) 6.751 13.430 ( 5.149 1.355 1.760) 5.608 13.643 ( -2.299 -2.632 -0.251) 3.504 13.804 ( 6.468 -4.073 19.040) 20.517 14.066 ( 5.579 -15.107 -0.350) 16.108 14.521 ( -1.110 2.685 -4.163) 5.076 14.579 ( -3.662 -1.310 2.307) 4.522 14.683 ( -0.804 2.892 2.856) 4.143 14.881 ( -4.086 -0.615 -2.381) 4.769 15.557 ( 9.569 2.105 5.657) 11.314 15.608 ( 11.269 5.504 3.324) 12.975 15.890 ( 15.522 0.339 2.421) 15.713 16.049 ( 1.318 -5.244 -0.101) 5.408 16.114 ( 4.150 -2.010 -3.920) 6.052 16.439 ( -2.756 3.134 -0.626) 4.220 16.589 ( 4.078 -5.718 5.365) 8.838 16.709 ( 0.147 -2.069 -3.851) 4.374 16.938 ( 8.204 -9.470 -1.879) 12.670 17.084 ( 1.516 2.050 -0.432) 2.586 17.387 ( 0.780 -2.797 3.465) 4.521 17.464 ( 4.056 2.549 -5.340) 7.173 17.815 ( -4.002 3.324 -3.352) 6.189 17.917 ( 0.299 2.368 0.375) 2.416 18.061 ( 3.374 7.691 -8.730) 12.114 18.255 ( -8.094 1.587 -3.860) 9.107 18.401 ( 2.819 -1.799 1.055) 3.507 18.864 ( -0.539 1.937 4.990) 5.380 19.035 ( 8.173 5.805 8.668) 13.252 19.446 ( 9.669 2.006 3.495) 10.475 21.627 ( -6.492 3.173 -2.402) 7.615 21.757 ( -9.576 4.350 2.443) 10.798 22.222 ( -3.710 -0.488 -2.958) 4.770 22.294 ( -7.008 -2.222 3.955) 8.348 27.577 ( 9.460 0.483 -4.109) 10.325 27.654 ( 0.961 -0.413 5.587) 5.684 27.974 ( 19.020 -7.803 15.721) 25.880 28.435 ( 14.597 -10.182 -5.603) 18.658 29.879 ( 1.074 0.781 -0.870) 1.588 29.948 ( -0.786 0.114 -0.906) 1.205 30.132 ( 6.340 1.018 1.120) 6.518 30.327 ( 4.995 -0.374 -0.859) 5.082 30.937 ( -0.101 5.303 1.363) 5.476 30.955 ( 0.616 6.387 0.204) 6.420 31.599 ( -2.457 1.491 2.007) 3.505 31.680 ( -1.487 0.978 -1.952) 2.641 32.300 ( 1.461 3.096 5.374) 6.372 32.356 ( 4.794 5.315 0.843) 7.208 32.581 ( -0.209 -0.333 -4.483) 4.500 32.600 ( 0.543 0.669 -5.845) 5.909 33.007 ( 2.817 3.763 -7.411) 8.776 33.111 ( -4.793 4.502 10.409) 12.313 33.549 ( -3.725 -0.335 -4.012) 5.485 33.973 ( -7.870 0.453 -7.324) 10.760 34.101 ( 2.968 -2.670 3.248) 5.147 34.181 ( 4.310 1.894 2.410) 5.289 34.629 ( 4.275 -2.842 3.540) 6.235 34.680 ( 3.251 -0.668 -0.798) 3.414 36.062 ( 1.414 1.083 -16.815) 16.909 36.584 ( -14.584 -2.141 8.813) 17.174 36.663 ( -6.948 -5.243 9.577) 12.942 37.047 ( -8.084 -8.370 -8.161) 14.213 ======================= Grid point 159 (80/88) ======================= q-point: ( 0.43 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 5.462 1.558 0.564) 5.708 2.424 ( -1.091 4.369 -5.654) 7.228 2.603 ( 0.337 -2.876 -4.023) 4.957 2.622 ( -1.722 -2.804 0.233) 3.299 2.846 ( 6.373 5.914 -4.513) 9.795 2.922 ( -0.202 3.268 -3.485) 4.782 3.340 ( 8.943 -2.144 -2.459) 9.520 3.444 ( -0.569 -4.351 -0.530) 4.420 3.668 ( 3.597 -3.173 -11.891) 12.821 3.816 ( -17.406 0.051 10.090) 20.119 3.982 ( 8.364 5.937 1.713) 10.399 4.138 ( -0.414 4.561 8.703) 9.835 4.356 ( 2.264 2.365 3.963) 5.140 4.470 ( 10.550 15.330 -13.133) 22.777 4.534 ( -0.712 -4.259 -5.576) 7.052 4.635 ( -7.514 13.932 11.588) 19.617 4.818 ( 5.729 -5.746 -1.383) 8.231 4.948 ( -2.773 1.137 -2.595) 3.964 5.105 ( 5.019 -5.191 3.782) 8.152 5.150 ( -1.606 -2.888 1.134) 3.494 5.275 ( 11.988 -0.432 -8.859) 14.912 5.424 ( 7.225 -3.838 0.944) 8.236 5.431 ( 2.868 0.464 3.013) 4.186 5.678 ( -6.026 0.524 -6.399) 8.805 5.826 ( 8.358 -4.009 4.973) 10.519 6.002 ( 0.172 -9.325 -2.675) 9.703 6.164 ( 1.928 1.422 -0.968) 2.584 6.263 ( -6.712 1.657 0.383) 6.925 6.471 ( 3.658 3.339 4.818) 6.910 6.523 ( 3.992 1.426 3.752) 5.661 6.601 ( 0.447 5.139 11.388) 12.502 6.779 ( -9.338 8.577 -2.226) 12.873 7.098 ( 3.023 -0.593 -0.424) 3.109 7.118 ( 4.556 -2.938 -4.681) 7.163 7.361 ( -1.171 3.194 4.429) 5.585 7.405 ( 2.363 1.269 -8.692) 9.096 7.466 ( 11.838 -2.733 0.702) 12.170 7.688 ( -10.237 -5.233 4.610) 12.386 7.874 ( 3.191 3.066 3.586) 5.696 7.994 ( -6.644 3.609 5.205) 9.179 8.145 ( 2.338 0.348 -3.851) 4.519 8.249 ( -1.149 1.361 -2.985) 3.476 8.357 ( 0.618 0.287 16.987) 17.001 8.522 ( -1.642 -2.953 -6.593) 7.409 8.879 ( -1.462 -1.039 7.300) 7.517 8.942 ( 3.579 1.536 -5.947) 7.109 8.993 ( 1.051 0.038 -5.365) 5.467 9.065 ( -5.529 -2.171 5.788) 8.294 9.141 ( 0.633 1.742 -5.062) 5.391 9.191 ( -4.614 3.515 -3.707) 6.884 9.697 ( -1.153 -9.535 -1.577) 9.733 9.702 ( -2.725 -6.659 2.070) 7.487 9.876 ( 1.508 -2.280 3.124) 4.151 10.006 ( -4.082 -3.717 -8.304) 9.972 10.180 ( 0.881 1.718 4.998) 5.357 10.310 ( -4.582 3.239 -4.939) 7.476 10.462 ( -0.970 6.083 3.054) 6.876 10.540 ( -3.164 4.280 -5.139) 7.399 11.125 ( 4.865 -1.271 -2.402) 5.573 11.165 ( 9.371 -10.492 -0.474) 14.076 11.223 ( -7.287 -0.770 5.626) 9.238 11.417 ( -12.770 -10.334 -0.004) 16.427 11.627 ( 1.789 -2.236 2.450) 3.768 11.722 ( -4.905 1.296 -5.923) 7.799 11.779 ( 5.173 6.370 6.679) 10.580 11.996 ( -7.762 10.024 -9.639) 15.926 12.269 ( -0.559 -2.933 -3.257) 4.418 12.329 ( -5.987 -2.494 -2.134) 6.828 12.724 ( 1.924 -1.049 -0.142) 2.196 12.780 ( -3.846 -4.064 -0.318) 5.604 13.043 ( 0.440 -2.225 -1.701) 2.835 13.094 ( -5.094 0.395 0.669) 5.153 13.541 ( 4.284 0.839 1.308) 4.557 13.609 ( -2.080 0.379 -0.061) 2.116 14.045 ( 3.277 -4.297 14.635) 15.601 14.136 ( 2.346 -7.705 -5.557) 9.785 14.513 ( 2.320 -1.292 -2.538) 3.674 14.542 ( -2.128 -3.116 2.164) 4.349 14.700 ( 1.368 0.268 0.504) 1.482 14.768 ( -5.086 -1.383 -0.750) 5.324 15.723 ( 5.961 -1.083 4.429) 7.505 15.827 ( 1.013 -0.767 2.812) 3.085 16.029 ( 3.677 1.552 -4.179) 5.778 16.095 ( 0.731 5.729 0.801) 5.830 16.180 ( 9.345 2.296 -6.105) 11.396 16.335 ( -7.968 5.805 2.342) 10.132 16.673 ( 1.334 -6.704 4.449) 8.155 16.717 ( 0.713 -7.279 -3.178) 7.974 17.037 ( 3.429 -6.718 1.991) 7.801 17.099 ( -0.064 -2.371 -2.716) 3.606 17.428 ( -0.567 3.079 6.418) 7.141 17.464 ( 1.252 3.190 -6.136) 7.028 17.811 ( 3.165 -1.450 5.343) 6.377 17.950 ( 2.833 -0.695 1.021) 3.091 17.972 ( -4.229 1.650 -10.242) 11.203 18.070 ( -6.947 -0.337 -3.546) 7.807 18.568 ( 11.333 7.035 1.321) 13.404 18.778 ( -8.893 6.781 1.418) 11.273 19.319 ( 11.298 4.283 7.417) 14.178 19.519 ( -3.332 3.792 -2.227) 5.518 21.529 ( -0.733 0.459 -1.743) 1.946 21.586 ( -7.338 1.225 1.201) 7.536 22.187 ( 0.743 -0.712 -0.959) 1.407 22.216 ( -3.480 -1.548 2.273) 4.436 27.687 ( 5.385 0.612 -5.428) 7.670 27.704 ( -0.981 0.503 5.732) 5.837 28.405 ( 8.182 -12.841 19.327) 24.604 28.564 ( 4.970 -12.787 -12.904) 18.834 29.897 ( 1.111 0.863 -0.236) 1.426 29.921 ( -1.113 0.535 -0.778) 1.459 30.271 ( 5.471 -0.286 2.607) 6.067 30.359 ( -0.698 -0.806 -2.509) 2.726 30.951 ( 0.677 5.536 0.484) 5.599 30.962 ( -0.234 6.041 0.369) 6.057 31.592 ( 0.063 2.076 2.432) 3.198 31.630 ( -1.607 1.872 -2.194) 3.301 32.374 ( 0.977 3.099 7.148) 7.852 32.426 ( 2.088 4.222 -4.236) 6.335 32.533 ( -0.070 0.107 -2.344) 2.347 32.559 ( -0.820 0.747 -3.477) 3.650 33.058 ( 6.560 4.626 -6.023) 10.035 33.112 ( -5.178 5.303 11.732) 13.877 33.495 ( 1.040 -0.175 2.240) 2.476 33.670 ( -9.823 0.207 -12.000) 15.509 34.228 ( 4.542 0.338 1.657) 4.847 34.265 ( 1.320 1.894 1.032) 2.529 34.694 ( 2.478 -1.257 -0.461) 2.816 34.724 ( -0.609 -1.291 1.656) 2.186 36.074 ( 11.188 0.624 -11.763) 16.246 36.288 ( -17.487 -0.223 8.360) 19.384 36.712 ( 0.215 -7.194 10.682) 12.880 36.841 ( -4.639 -7.706 -10.202) 13.601 ======================= Grid point 163 (81/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -0.582 -1.533 -10.592) 10.718 2.287 ( 0.582 -1.533 10.592) 10.718 2.637 ( 4.194 7.523 -9.418) 12.763 2.637 ( -4.194 7.523 9.418) 12.763 2.836 ( 1.304 6.551 -4.961) 8.321 2.836 ( -1.304 6.551 4.961) 8.321 3.245 ( -0.125 8.068 -14.715) 16.782 3.245 ( 0.125 8.068 14.715) 16.782 3.622 ( -5.099 -0.221 -2.891) 5.866 3.622 ( 5.099 -0.221 2.891) 5.866 3.924 ( -4.308 -11.292 -5.203) 13.158 3.924 ( 4.308 -11.292 5.203) 13.158 4.319 ( -3.607 -4.207 -7.663) 9.456 4.319 ( 3.607 -4.207 7.663) 9.456 4.453 ( -8.516 -0.734 -14.862) 17.145 4.453 ( 8.516 -0.734 14.862) 17.145 4.844 ( -2.663 2.236 -4.797) 5.924 4.844 ( 2.663 2.236 4.797) 5.924 5.050 ( -0.331 1.952 -16.562) 16.680 5.050 ( 0.331 1.952 16.562) 16.680 5.142 ( -0.605 -3.142 -13.341) 13.719 5.142 ( 0.605 -3.142 13.341) 13.719 5.391 ( -4.608 -5.413 -0.338) 7.117 5.391 ( 4.608 -5.413 0.338) 7.117 5.759 ( -6.953 6.157 -6.364) 11.258 5.759 ( 6.953 6.157 6.364) 11.258 5.983 ( -6.946 2.987 -6.456) 9.942 5.983 ( 6.946 2.987 6.456) 9.942 6.354 ( -0.897 -1.211 -4.522) 4.766 6.354 ( 0.897 -1.211 4.522) 4.766 6.751 ( -1.382 5.049 -2.875) 5.972 6.751 ( 1.382 5.049 2.875) 5.972 7.082 ( -7.379 -4.998 -1.328) 9.010 7.082 ( 7.379 -4.998 1.328) 9.010 7.174 ( 4.164 -0.634 -6.832) 8.026 7.174 ( -4.164 -0.634 6.832) 8.026 7.465 ( -0.136 -1.868 -2.291) 2.959 7.465 ( 0.136 -1.868 2.291) 2.959 7.820 ( 3.777 10.506 -8.527) 14.048 7.820 ( -3.777 10.506 8.527) 14.048 8.249 ( -3.839 1.673 -0.289) 4.198 8.249 ( 3.839 1.673 0.289) 4.198 8.533 ( 0.596 0.363 -4.149) 4.208 8.533 ( -0.596 0.363 4.149) 4.208 8.794 ( 8.983 1.552 -7.204) 11.619 8.794 ( -8.983 1.552 7.204) 11.619 9.188 ( -2.038 -3.057 -2.134) 4.249 9.188 ( 2.038 -3.057 2.134) 4.249 9.504 ( -0.186 2.484 -4.595) 5.227 9.504 ( 0.186 2.484 4.595) 5.227 9.841 ( 4.870 11.130 -3.502) 12.643 9.841 ( -4.870 11.130 3.502) 12.643 10.071 ( 4.814 -7.418 -8.032) 11.946 10.071 ( -4.814 -7.418 8.032) 11.946 10.325 ( -1.334 1.829 -3.676) 4.318 10.325 ( 1.334 1.829 3.676) 4.318 10.770 ( 1.290 -6.116 -11.237) 12.859 10.770 ( -1.290 -6.116 11.237) 12.859 11.112 ( 0.608 -5.780 -10.866) 12.323 11.112 ( -0.608 -5.780 10.866) 12.323 11.436 ( -1.134 4.798 -9.321) 10.544 11.436 ( 1.134 4.798 9.321) 10.544 11.823 ( -9.600 -2.413 -16.689) 19.404 11.823 ( 9.600 -2.413 16.689) 19.404 12.337 ( -2.896 -0.269 -6.245) 6.889 12.337 ( 2.896 -0.269 6.245) 6.889 12.718 ( 4.493 -9.276 -7.701) 12.866 12.718 ( -4.493 -9.276 7.701) 12.866 12.979 ( -6.310 -8.139 -4.827) 11.374 12.979 ( 6.310 -8.139 4.827) 11.374 13.169 ( -1.604 3.689 -8.017) 8.970 13.169 ( 1.604 3.689 8.017) 8.970 13.395 ( -5.505 -4.617 -7.941) 10.709 13.395 ( 5.505 -4.617 7.941) 10.709 13.572 ( 3.584 -7.608 -10.069) 13.119 13.572 ( -3.584 -7.608 10.069) 13.119 14.763 ( 2.078 3.575 -2.388) 4.775 14.763 ( -2.078 3.575 2.388) 4.775 14.924 ( 3.173 2.535 -2.651) 4.849 14.924 ( -3.173 2.535 2.651) 4.849 15.311 ( -8.973 2.865 1.234) 9.500 15.311 ( 8.973 2.865 -1.234) 9.500 15.490 ( -8.779 -5.647 -2.481) 10.729 15.490 ( 8.779 -5.647 2.481) 10.729 16.126 ( -9.336 0.998 -2.463) 9.707 16.126 ( 9.336 0.998 2.463) 9.707 16.371 ( 0.479 -1.473 -4.662) 4.912 16.371 ( -0.479 -1.473 4.662) 4.912 17.123 ( -3.502 2.780 -3.746) 5.833 17.123 ( 3.502 2.780 3.746) 5.833 17.310 ( 0.565 -0.697 -1.171) 1.475 17.310 ( -0.565 -0.697 1.171) 1.475 18.011 ( 0.444 -2.923 -6.257) 6.920 18.011 ( -0.444 -2.923 6.257) 6.920 18.252 ( -7.364 -2.006 -3.313) 8.321 18.252 ( 7.364 -2.006 3.313) 8.321 18.511 ( -2.803 6.078 -5.548) 8.694 18.511 ( 2.803 6.078 5.548) 8.694 19.150 ( -0.399 4.522 -5.202) 6.904 19.150 ( 0.399 4.522 5.202) 6.904 22.064 ( -1.486 9.201 -1.064) 9.381 22.064 ( 1.486 9.201 1.064) 9.381 22.396 ( 1.320 -5.275 -3.536) 6.486 22.396 ( -1.320 -5.275 3.536) 6.486 27.390 ( -4.605 5.264 -0.611) 7.021 27.390 ( 4.605 5.264 0.611) 7.021 27.683 ( -8.959 -7.104 -1.226) 11.499 27.683 ( 8.959 -7.104 1.226) 11.499 29.920 ( -1.209 0.971 -1.014) 1.853 29.920 ( 1.209 0.971 1.014) 1.853 30.105 ( -2.406 0.440 -1.547) 2.894 30.105 ( 2.406 0.440 1.547) 2.894 31.057 ( 0.108 4.630 -0.640) 4.676 31.057 ( -0.108 4.630 0.640) 4.676 31.709 ( 1.525 0.736 -0.903) 1.919 31.709 ( -1.525 0.736 0.903) 1.919 32.335 ( 1.866 5.190 -2.104) 5.903 32.335 ( -1.866 5.190 2.104) 5.903 32.575 ( 2.680 -1.865 -4.079) 5.225 32.575 ( -2.680 -1.865 4.079) 5.225 33.265 ( 1.049 5.820 -7.506) 9.556 33.265 ( -1.049 5.820 7.506) 9.556 33.757 ( -2.567 -0.530 -4.893) 5.552 33.757 ( 2.567 -0.530 4.893) 5.552 34.115 ( 1.716 -0.321 -7.671) 7.867 34.115 ( -1.716 -0.321 7.671) 7.867 34.447 ( -1.035 -5.364 -3.116) 6.289 34.447 ( 1.035 -5.364 3.116) 6.289 36.372 ( -1.097 -2.681 -9.888) 10.304 36.372 ( 1.097 -2.681 9.888) 10.304 37.054 ( 2.680 -5.373 -5.854) 8.386 37.054 ( -2.680 -5.373 5.854) 8.386 ======================= Grid point 165 (82/88) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 2.972 0.700 -10.006) 10.462 2.382 ( 1.788 -4.709 6.452) 8.185 2.676 ( 1.344 1.876 -1.317) 2.657 2.737 ( 1.470 0.096 -1.394) 2.029 2.835 ( 5.393 7.279 -5.288) 10.490 3.009 ( 20.403 13.934 -7.968) 25.960 3.172 ( 5.785 8.325 -13.292) 16.717 3.365 ( 1.522 2.624 7.745) 8.318 3.492 ( -6.417 1.791 -0.054) 6.662 3.659 ( -1.874 -5.475 -1.561) 5.994 3.813 ( 2.741 -6.122 -3.887) 7.752 4.051 ( -1.700 3.174 4.282) 5.594 4.104 ( 2.795 -6.356 -8.225) 10.764 4.410 ( 9.587 -8.666 -9.961) 16.316 4.441 ( 4.081 6.222 2.909) 7.990 4.594 ( 5.546 -4.284 -10.240) 12.409 4.803 ( -1.169 4.053 -1.424) 4.452 4.942 ( 3.176 -2.221 -7.084) 8.074 4.969 ( 3.352 1.105 3.733) 5.138 5.088 ( -0.248 0.561 1.363) 1.494 5.193 ( 3.695 -1.654 3.663) 5.460 5.319 ( -3.843 -7.726 0.391) 8.638 5.408 ( 9.830 0.235 -9.630) 13.763 5.495 ( 6.382 -0.837 11.318) 13.020 5.694 ( -1.322 0.160 -1.752) 2.201 5.708 ( 1.149 -0.129 9.183) 9.256 6.058 ( 3.863 7.888 9.320) 12.806 6.175 ( -1.008 0.596 6.091) 6.203 6.273 ( -0.980 5.595 4.551) 7.278 6.453 ( 7.057 -2.281 8.915) 11.596 6.684 ( -5.021 7.577 3.967) 9.918 6.847 ( 4.392 4.863 4.879) 8.169 6.881 ( -12.542 0.821 9.156) 15.550 7.162 ( 0.146 0.135 -1.192) 1.208 7.211 ( 1.859 -6.916 -1.125) 7.249 7.277 ( 8.514 0.827 -2.682) 8.965 7.446 ( -1.478 -8.551 1.291) 8.773 7.489 ( 3.856 -6.851 -3.320) 8.534 7.773 ( 0.574 12.312 -3.574) 12.833 7.948 ( 10.665 7.004 -4.702) 13.598 8.142 ( -7.041 2.388 5.963) 9.531 8.306 ( 1.303 0.471 1.492) 2.036 8.486 ( -3.401 -1.753 -2.439) 4.537 8.543 ( -1.654 -1.711 0.910) 2.548 8.741 ( -0.813 7.805 10.494) 13.104 8.949 ( 9.533 1.109 -6.719) 11.716 9.133 ( 0.127 -2.280 -3.230) 3.955 9.247 ( 1.849 -5.586 -2.423) 6.364 9.322 ( -11.271 8.217 1.587) 14.039 9.561 ( -3.567 2.622 3.120) 5.416 9.720 ( -3.167 4.866 -7.510) 9.493 9.858 ( -5.176 1.889 -4.996) 7.438 10.017 ( -4.762 -0.713 7.442) 8.864 10.085 ( 2.718 -4.566 -7.488) 9.181 10.263 ( -2.774 0.590 2.261) 3.627 10.334 ( -2.873 2.125 3.582) 5.060 10.656 ( -0.114 -5.621 -16.078) 17.033 10.757 ( -3.607 -12.663 0.571) 13.179 11.137 ( 3.294 2.405 2.076) 4.577 11.174 ( -4.007 -3.116 3.385) 6.101 11.340 ( -0.952 -2.103 2.614) 3.487 11.394 ( -15.221 1.229 -14.258) 20.893 11.505 ( -1.625 3.635 4.682) 6.146 11.974 ( -3.648 -1.527 4.531) 6.014 12.183 ( -4.104 -1.083 -9.766) 10.648 12.385 ( -1.918 -2.352 -0.848) 3.151 12.545 ( -13.363 -8.083 -0.472) 15.624 12.672 ( -1.600 1.707 -3.622) 4.312 12.856 ( -9.706 -7.393 -3.703) 12.750 13.012 ( -6.465 -12.002 -1.631) 13.730 13.049 ( -3.762 1.261 -4.476) 5.981 13.223 ( 0.158 -4.140 3.681) 5.542 13.399 ( 4.352 3.197 11.551) 12.751 13.531 ( 3.392 -3.731 4.236) 6.586 13.557 ( 1.564 -1.059 1.744) 2.571 13.595 ( -0.187 -10.458 9.108) 13.869 14.651 ( -7.757 1.042 1.560) 7.980 14.677 ( -8.101 0.077 2.594) 8.507 14.879 ( -6.627 4.558 -5.353) 9.661 14.949 ( 0.579 0.871 -4.312) 4.437 15.347 ( 10.725 3.958 8.360) 14.163 15.471 ( 10.131 1.684 7.761) 12.873 15.571 ( 15.859 2.494 -2.495) 16.247 15.756 ( 11.219 -7.380 -0.623) 13.443 16.029 ( 1.614 3.458 -1.469) 4.089 16.346 ( 5.928 -1.138 0.913) 6.105 16.414 ( 5.833 -3.450 -0.298) 6.783 16.462 ( 6.736 -7.456 3.056) 10.503 16.978 ( -4.572 6.022 -6.385) 9.896 17.171 ( 1.292 4.134 -2.536) 5.019 17.256 ( -1.013 -4.036 -0.371) 4.178 17.397 ( 5.157 -1.970 -4.116) 6.886 17.943 ( -3.569 -0.245 1.367) 3.830 18.078 ( 0.814 -5.416 1.262) 5.620 18.169 ( 0.821 9.050 -3.946) 9.906 18.374 ( -2.825 5.146 -5.069) 7.756 18.447 ( 1.124 0.083 -1.848) 2.165 18.578 ( 9.055 -4.017 3.485) 10.502 19.123 ( -0.139 7.878 5.170) 9.424 19.271 ( 6.239 1.630 3.333) 7.259 21.951 ( -8.933 8.626 -0.898) 12.451 22.036 ( -5.960 7.196 1.573) 9.475 22.314 ( -5.881 -4.307 -2.631) 7.749 22.336 ( -5.947 -4.196 2.342) 7.646 27.411 ( 6.310 2.213 1.270) 6.806 27.565 ( 8.362 4.118 2.142) 9.563 27.592 ( 3.279 -3.444 -1.490) 4.983 27.929 ( 14.040 -9.995 -0.133) 17.235 29.897 ( -0.303 1.335 -0.384) 1.421 29.947 ( 0.129 -0.573 0.919) 1.090 30.092 ( 2.749 2.660 -1.658) 4.169 30.196 ( 5.430 -1.332 0.122) 5.592 31.053 ( -0.045 4.784 0.043) 4.784 31.066 ( 0.317 4.367 0.672) 4.429 31.674 ( -2.654 1.586 1.463) 3.420 31.716 ( -0.245 0.141 -0.514) 0.587 32.333 ( 0.056 4.544 3.038) 5.466 32.389 ( 3.922 4.825 -0.824) 6.273 32.571 ( -0.217 -1.257 2.091) 2.449 32.606 ( 3.887 -0.856 -5.674) 6.931 33.178 ( -1.777 5.708 -8.839) 10.671 33.249 ( -3.908 4.334 2.691) 6.426 33.666 ( -3.834 1.714 -1.242) 4.380 33.900 ( 5.397 -2.496 6.342) 8.693 34.101 ( -3.824 -2.897 -0.386) 4.812 34.134 ( 4.012 2.096 -0.827) 4.602 34.439 ( 3.299 -2.991 1.491) 4.696 34.541 ( 5.157 -5.284 -0.566) 7.405 36.245 ( -3.282 1.462 -10.185) 10.800 36.439 ( -1.823 -6.481 9.062) 11.289 36.884 ( -13.483 -1.562 3.060) 13.914 37.029 ( -4.940 -8.279 -3.503) 10.258 ======================= Grid point 166 (83/88) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 5.569 1.956 -4.012) 7.137 2.453 ( 0.774 -5.709 4.673) 7.419 2.617 ( -3.286 0.592 -4.386) 5.513 2.676 ( -3.398 -0.897 -4.484) 5.697 2.912 ( 4.470 4.894 -3.317) 7.412 3.119 ( 4.053 12.787 -15.072) 20.177 3.252 ( 2.326 0.283 -6.861) 7.250 3.387 ( -2.883 1.471 4.109) 5.230 3.568 ( 18.799 4.265 -10.975) 22.182 3.759 ( 5.899 -7.020 9.518) 13.216 3.929 ( 9.531 -1.225 -1.620) 9.745 4.079 ( 3.382 -0.716 1.778) 3.887 4.244 ( 4.323 -0.632 1.026) 4.487 4.404 ( 4.173 -11.248 -4.967) 12.985 4.534 ( 7.641 7.101 -8.046) 13.174 4.708 ( 5.769 1.887 1.134) 6.175 4.803 ( 5.218 9.472 -4.424) 11.684 4.976 ( 2.815 0.248 -3.687) 4.645 5.072 ( 3.319 0.445 -4.052) 5.256 5.122 ( -0.350 0.001 7.857) 7.865 5.205 ( 1.267 0.188 -1.075) 1.672 5.268 ( -1.031 -1.848 1.062) 2.367 5.404 ( 4.613 1.227 -1.913) 5.142 5.691 ( 6.800 -5.156 -5.680) 10.251 5.754 ( 6.127 -2.669 -3.198) 7.409 5.886 ( -1.426 1.228 8.467) 8.674 5.997 ( -2.009 2.472 3.838) 4.988 6.249 ( 1.174 1.499 9.462) 9.652 6.416 ( 3.425 7.901 10.937) 13.920 6.611 ( -0.167 4.401 1.162) 4.555 6.700 ( -12.982 1.838 12.118) 17.854 6.750 ( 9.526 -4.049 8.066) 13.122 6.995 ( 3.305 3.506 0.967) 4.914 7.136 ( -2.350 1.204 4.608) 5.311 7.185 ( 3.331 -4.380 -3.652) 6.604 7.401 ( 1.368 -3.774 -0.752) 4.084 7.468 ( 5.733 -3.048 -2.757) 7.055 7.604 ( 7.161 -6.098 1.751) 9.567 7.770 ( 1.572 7.955 -0.158) 8.110 8.050 ( -3.612 -2.027 5.198) 6.646 8.163 ( 7.656 4.890 -0.475) 9.097 8.337 ( 0.111 4.118 -0.291) 4.130 8.388 ( -3.619 -2.818 0.177) 4.590 8.492 ( -2.880 -1.838 -0.349) 3.434 8.866 ( 1.769 8.120 11.241) 13.980 9.013 ( 2.037 2.167 -4.462) 5.362 9.054 ( -7.678 0.765 -6.521) 10.103 9.143 ( -4.601 2.754 0.655) 5.402 9.241 ( 0.001 -1.216 -4.493) 4.654 9.443 ( -9.115 3.744 2.847) 10.257 9.560 ( -9.165 -7.440 -3.686) 12.367 9.641 ( -4.759 -4.943 -10.359) 12.426 9.977 ( -5.764 6.254 4.343) 9.550 10.041 ( -2.167 -2.562 -5.309) 6.281 10.256 ( -0.633 3.545 3.330) 4.905 10.324 ( -1.094 -1.206 6.431) 6.634 10.535 ( 3.101 -11.602 -19.349) 22.773 10.737 ( -0.313 -6.516 3.307) 7.314 10.896 ( -12.635 1.465 -10.876) 16.736 11.096 ( -1.649 -2.548 -5.250) 6.065 11.284 ( -1.588 1.466 8.690) 8.955 11.394 ( -3.436 -1.795 12.320) 12.916 11.547 ( 1.256 3.679 3.036) 4.932 11.831 ( -5.477 2.772 -2.790) 6.743 11.985 ( -11.010 -3.212 -9.870) 15.131 12.257 ( -6.072 -9.977 -7.619) 13.945 12.319 ( -6.591 -0.824 -1.971) 6.928 12.497 ( -10.820 2.376 -9.056) 14.308 12.653 ( 0.629 -4.008 -5.710) 7.005 12.857 ( -10.922 -5.429 4.825) 13.117 13.004 ( 0.228 1.941 -0.826) 2.121 13.206 ( -3.713 -2.030 0.469) 4.257 13.517 ( 4.309 5.346 1.215) 6.972 13.619 ( 0.940 0.990 5.011) 5.193 13.717 ( 6.053 -5.780 15.341) 17.476 13.757 ( 7.518 -9.976 7.484) 14.562 14.536 ( -4.845 -1.814 0.296) 5.182 14.545 ( -4.393 -0.752 0.330) 4.469 14.758 ( -3.629 3.705 -0.389) 5.201 14.861 ( -5.193 -1.078 -3.245) 6.218 15.601 ( 4.325 2.623 7.438) 8.995 15.706 ( 5.715 1.953 7.637) 9.737 15.919 ( 17.678 1.761 -1.963) 17.873 15.958 ( 10.982 -2.091 0.507) 11.191 16.139 ( 9.100 3.527 -2.681) 10.121 16.435 ( 2.798 -1.314 1.069) 3.271 16.509 ( 2.624 -6.910 -2.619) 7.842 16.529 ( 1.114 -6.732 -2.043) 7.123 16.936 ( 2.531 6.363 0.467) 6.864 17.157 ( -0.075 4.794 -3.615) 6.005 17.275 ( 3.120 -6.933 1.573) 7.763 17.436 ( 2.243 -4.425 -3.940) 6.335 17.864 ( -5.246 1.166 0.167) 5.377 17.992 ( -6.677 -0.208 1.689) 6.890 18.139 ( -0.893 4.003 -11.125) 11.857 18.276 ( -8.271 -0.033 -5.845) 10.128 18.500 ( 12.853 9.504 1.884) 16.096 18.848 ( 8.273 -3.515 5.426) 10.499 19.212 ( 4.504 9.003 8.034) 12.880 19.457 ( 9.532 -1.469 2.160) 9.883 21.726 ( -11.339 5.430 -1.873) 12.710 21.841 ( -13.371 2.397 0.482) 13.593 22.204 ( -2.854 -1.021 -1.134) 3.236 22.239 ( -5.046 -2.432 2.197) 6.016 27.586 ( 8.046 0.415 0.853) 8.102 27.645 ( 3.847 -0.964 3.919) 5.575 27.854 ( 14.180 -1.288 3.747) 14.723 28.174 ( 10.805 -12.497 -3.436) 16.873 29.901 ( 0.747 1.180 -0.042) 1.397 29.945 ( -0.452 -0.503 0.077) 0.680 30.169 ( 5.122 2.366 -0.289) 5.649 30.295 ( 4.346 -2.484 -1.318) 5.176 31.056 ( 0.309 4.732 0.069) 4.743 31.077 ( 0.049 3.976 0.850) 4.066 31.640 ( -1.873 2.148 2.111) 3.547 31.696 ( -1.310 0.224 -0.296) 1.362 32.379 ( 1.409 3.797 4.173) 5.815 32.459 ( 3.176 2.531 -0.045) 4.062 32.583 ( 1.424 1.008 -4.135) 4.488 32.615 ( 1.280 0.505 -6.019) 6.174 33.115 ( 2.101 5.612 -4.717) 7.626 33.211 ( -2.748 3.428 7.265) 8.490 33.568 ( -4.260 3.093 -2.649) 5.893 33.894 ( -9.260 -7.812 -3.540) 12.621 34.115 ( 6.927 4.649 3.296) 8.970 34.246 ( 5.952 2.985 0.693) 6.694 34.551 ( 4.689 -3.741 2.469) 6.487 34.629 ( 4.138 -4.000 -1.095) 5.858 36.118 ( -0.558 4.435 -9.313) 10.330 36.454 ( -3.528 -9.054 8.294) 12.775 36.610 ( -15.654 0.767 4.099) 16.200 36.843 ( -8.665 -9.304 -6.133) 14.116 ======================= Grid point 167 (84/88) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 5.567 1.564 2.773) 6.413 2.481 ( -2.228 -0.481 -0.454) 2.324 2.515 ( -1.019 -2.571 -1.025) 2.950 2.576 ( -2.650 -2.417 -4.914) 6.084 2.985 ( 2.664 5.707 3.247) 7.086 3.051 ( -0.986 9.937 -5.505) 11.402 3.316 ( 6.985 -3.833 -4.330) 9.068 3.382 ( -2.138 -0.432 4.305) 4.826 3.698 ( 9.477 5.602 -19.573) 22.456 3.799 ( -9.876 -0.508 5.266) 11.204 4.097 ( 9.528 0.071 -5.575) 11.040 4.113 ( -0.261 -5.227 14.794) 15.692 4.366 ( 3.595 -3.559 -1.643) 5.319 4.448 ( -5.643 2.855 -1.603) 6.524 4.659 ( 12.695 -2.132 1.743) 12.991 4.821 ( 3.980 4.667 -3.010) 6.833 4.902 ( 4.931 5.237 2.976) 7.784 4.979 ( 2.374 6.205 -3.221) 7.383 5.047 ( -3.139 -2.728 0.385) 4.177 5.123 ( -8.112 3.553 4.997) 10.168 5.269 ( 6.539 0.175 -5.672) 8.658 5.308 ( 3.515 -2.054 0.045) 4.071 5.544 ( 4.414 6.470 2.900) 8.351 5.689 ( -2.930 0.382 -7.832) 8.370 5.783 ( 2.687 -0.561 3.914) 4.781 5.857 ( 0.557 -3.478 -4.910) 6.043 6.148 ( 9.033 -1.596 4.238) 10.105 6.297 ( -3.578 -0.770 2.683) 4.538 6.487 ( 0.331 0.515 5.469) 5.503 6.559 ( -4.187 0.357 2.932) 5.124 6.709 ( 4.411 4.272 5.738) 8.405 6.856 ( -4.112 0.347 -3.430) 5.366 7.029 ( 2.387 -4.932 1.664) 5.727 7.083 ( -3.089 -3.599 0.427) 4.763 7.362 ( 9.373 0.690 0.696) 9.424 7.449 ( 1.920 2.377 6.181) 6.895 7.533 ( 2.459 4.577 -6.094) 8.008 7.617 ( -4.359 -0.245 -0.835) 4.446 7.874 ( 4.508 -0.853 3.765) 5.935 7.975 ( -5.105 -3.746 0.409) 6.346 8.269 ( 2.857 7.298 -1.214) 7.931 8.319 ( -1.183 4.273 -2.800) 5.244 8.375 ( -0.303 1.441 10.675) 10.776 8.445 ( 0.247 -2.967 -5.239) 6.026 8.892 ( -4.901 1.493 10.487) 11.672 8.918 ( -1.147 -2.060 -10.076) 10.348 8.997 ( -2.223 -3.137 3.662) 5.310 9.069 ( -1.495 4.271 -2.031) 4.960 9.185 ( 0.942 0.158 -7.658) 7.717 9.243 ( -8.764 2.534 1.661) 9.273 9.472 ( 2.250 -9.873 -3.637) 10.759 9.526 ( -4.678 -8.025 1.064) 9.349 9.906 ( 0.098 6.447 -2.141) 6.794 9.951 ( -3.942 1.859 -0.586) 4.398 10.298 ( 2.222 5.340 4.802) 7.517 10.361 ( -1.291 -3.965 3.821) 5.656 10.489 ( 4.467 -6.313 -11.504) 13.862 10.573 ( -8.681 7.743 -3.288) 12.088 10.904 ( 8.072 -12.328 4.980) 15.554 11.053 ( -1.405 -10.880 -2.245) 11.198 11.267 ( -5.010 5.079 6.120) 9.399 11.314 ( -6.969 5.642 -4.501) 10.032 11.556 ( 0.034 -4.833 6.517) 8.114 11.681 ( -7.012 -4.946 -10.125) 13.272 11.892 ( 5.027 2.982 8.960) 10.698 12.074 ( -5.031 -4.113 -10.765) 12.574 12.253 ( 1.510 2.008 -2.620) 3.630 12.317 ( -4.763 2.777 -1.610) 5.744 12.638 ( 3.016 -4.375 -6.221) 8.181 12.700 ( -8.546 -4.162 6.411) 11.466 13.034 ( 3.143 2.305 -0.072) 3.898 13.116 ( -4.434 1.120 -1.022) 4.686 13.610 ( 3.650 5.132 0.564) 6.323 13.650 ( -1.064 3.523 2.527) 4.464 13.917 ( 1.656 -7.369 11.767) 13.982 13.928 ( 5.633 -9.561 -1.150) 11.157 14.482 ( -0.786 -1.831 1.266) 2.361 14.503 ( -0.537 -1.448 -1.475) 2.135 14.704 ( -1.759 0.679 0.623) 1.986 14.734 ( -4.122 -1.072 -2.121) 4.758 15.695 ( 2.385 -0.981 4.177) 4.909 15.766 ( -2.555 -3.503 1.533) 4.599 16.112 ( 7.433 4.556 -1.572) 8.859 16.206 ( 1.791 2.100 -4.514) 5.291 16.258 ( 10.541 5.650 1.991) 12.125 16.431 ( -4.148 2.773 -0.937) 5.077 16.518 ( 4.832 -8.590 -4.226) 10.724 16.562 ( -1.798 -3.794 4.200) 5.938 17.020 ( 2.937 4.620 4.658) 7.188 17.107 ( -1.770 3.417 -4.721) 6.090 17.382 ( 4.164 -7.279 2.372) 8.715 17.435 ( 0.115 -5.776 -2.308) 6.221 17.808 ( 0.786 2.233 4.281) 4.892 17.941 ( -0.879 -0.046 -1.162) 1.457 17.976 ( -6.231 -0.251 -3.140) 6.982 18.065 ( -6.292 -1.050 -7.243) 9.652 18.769 ( 10.570 9.704 1.676) 14.446 18.913 ( -3.463 4.249 1.326) 5.639 19.437 ( 9.798 6.077 6.866) 13.419 19.582 ( 0.674 1.143 -2.117) 2.499 21.549 ( -3.335 1.393 -1.430) 3.887 21.604 ( -8.926 0.032 0.238) 8.929 22.171 ( -0.199 -0.649 -0.617) 0.917 22.182 ( -2.237 -1.301 1.461) 2.971 27.708 ( 3.677 1.434 0.716) 4.011 27.731 ( 1.511 1.764 1.005) 2.531 28.139 ( 8.207 -9.615 8.301) 15.124 28.265 ( 1.983 -12.983 -6.952) 14.860 29.919 ( 0.776 1.051 0.305) 1.342 29.934 ( -0.490 0.522 -0.385) 0.813 30.268 ( 3.965 0.124 1.262) 4.163 30.325 ( -0.079 -2.039 -2.038) 2.884 31.067 ( 0.695 4.270 -0.077) 4.327 31.078 ( -0.519 3.843 0.494) 3.909 31.639 ( 0.064 1.918 1.993) 2.767 31.665 ( -1.226 1.009 -0.856) 1.804 32.447 ( 1.693 3.211 5.346) 6.462 32.511 ( 1.399 2.293 -0.359) 2.710 32.537 ( -0.597 0.786 -4.986) 5.083 32.576 ( -0.733 0.557 -4.676) 4.766 33.186 ( 6.246 6.394 -1.929) 9.145 33.247 ( -2.412 5.891 8.809) 10.868 33.498 ( 0.384 0.774 0.808) 1.183 33.649 ( -9.071 -2.631 -8.028) 12.395 34.271 ( 5.348 3.906 2.385) 7.039 34.328 ( 1.011 3.744 -0.043) 3.878 34.635 ( 2.416 -3.894 1.608) 4.857 34.670 ( 0.554 -3.820 -1.370) 4.095 36.119 ( 7.672 4.012 -6.931) 11.090 36.299 ( -14.476 1.246 5.461) 15.522 36.521 ( 0.500 -9.085 6.991) 11.474 36.640 ( -5.763 -9.771 -7.057) 13.360 ======================= Grid point 171 (85/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -0.000 0.000 0.000) 0.000 2.275 ( -0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.702 ( -0.000 0.000 0.000) 0.000 2.954 ( -0.000 0.000 0.000) 0.000 2.954 ( -0.000 0.000 0.000) 0.000 3.457 ( 0.000 -0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.586 ( -0.000 0.000 -0.000) 0.000 3.586 ( -0.000 0.000 0.000) 0.000 3.625 ( 0.000 -0.000 -0.000) 0.000 3.625 ( 0.000 0.000 -0.000) 0.000 4.294 ( -0.000 0.000 -0.000) 0.000 4.294 ( 0.000 -0.000 0.000) 0.000 4.473 ( 0.000 0.000 -0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 -0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 4.968 ( -0.000 0.000 -0.000) 0.000 4.968 ( -0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.315 ( -0.000 0.000 -0.000) 0.000 5.315 ( 0.000 0.000 -0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 6.014 ( -0.000 0.000 -0.000) 0.000 6.014 ( -0.000 0.000 -0.000) 0.000 6.341 ( -0.000 0.000 0.000) 0.000 6.341 ( -0.000 0.000 0.000) 0.000 6.820 ( -0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 7.018 ( 0.000 0.000 -0.000) 0.000 7.018 ( -0.000 0.000 0.000) 0.000 7.149 ( -0.000 0.000 0.000) 0.000 7.149 ( 0.000 0.000 0.000) 0.000 7.445 ( -0.000 0.000 0.000) 0.000 7.445 ( -0.000 0.000 0.000) 0.000 7.952 ( 0.000 0.000 0.000) 0.000 7.952 ( -0.000 0.000 0.000) 0.000 8.270 ( -0.000 0.000 0.000) 0.000 8.270 ( -0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.526 ( -0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 8.809 ( -0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 -0.000) 0.000 9.124 ( -0.000 0.000 0.000) 0.000 9.585 ( -0.000 0.000 0.000) 0.000 9.585 ( -0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 -0.000) 0.000 9.859 ( -0.000 0.000 0.000) 0.000 10.175 ( -0.000 0.000 0.000) 0.000 10.175 ( -0.000 0.000 0.000) 0.000 10.305 ( 0.000 0.000 -0.000) 0.000 10.305 ( -0.000 0.000 0.000) 0.000 10.594 ( -0.000 0.000 -0.000) 0.000 10.594 ( 0.000 0.000 0.000) 0.000 11.113 ( 0.000 0.000 0.000) 0.000 11.113 ( -0.000 0.000 0.000) 0.000 11.567 ( -0.000 -0.000 -0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.702 ( -0.000 0.000 -0.000) 0.000 11.702 ( 0.000 0.000 0.000) 0.000 12.327 ( 0.000 0.000 0.000) 0.000 12.327 ( -0.000 0.000 0.000) 0.000 12.553 ( 0.000 -0.000 -0.000) 0.000 12.553 ( -0.000 0.000 0.000) 0.000 12.904 ( 0.000 0.000 0.000) 0.000 12.904 ( -0.000 0.000 0.000) 0.000 13.217 ( -0.000 0.000 0.000) 0.000 13.217 ( 0.000 0.000 0.000) 0.000 13.337 ( -0.000 0.000 -0.000) 0.000 13.337 ( -0.000 0.000 0.000) 0.000 13.524 ( 0.000 0.000 0.000) 0.000 13.524 ( 0.000 0.000 0.000) 0.000 14.803 ( -0.000 0.000 0.000) 0.000 14.803 ( -0.000 0.000 0.000) 0.000 14.954 ( 0.000 0.000 -0.000) 0.000 14.954 ( 0.000 0.000 0.000) 0.000 15.366 ( 0.000 0.000 0.000) 0.000 15.366 ( 0.000 0.000 -0.000) 0.000 15.407 ( -0.000 -0.000 0.000) 0.000 15.407 ( -0.000 0.000 0.000) 0.000 16.144 ( 0.000 0.000 0.000) 0.000 16.144 ( 0.000 0.000 0.000) 0.000 16.353 ( 0.000 0.000 0.000) 0.000 16.353 ( -0.000 0.000 0.000) 0.000 17.159 ( 0.000 0.000 0.000) 0.000 17.159 ( 0.000 0.000 0.000) 0.000 17.297 ( -0.000 -0.000 0.000) 0.000 17.297 ( -0.000 0.000 0.000) 0.000 17.977 ( -0.000 0.000 0.000) 0.000 17.977 ( 0.000 0.000 0.000) 0.000 18.215 ( -0.000 0.000 0.000) 0.000 18.215 ( 0.000 0.000 0.000) 0.000 18.589 ( 0.000 0.000 0.000) 0.000 18.589 ( -0.000 0.000 0.000) 0.000 19.199 ( -0.000 0.000 0.000) 0.000 19.199 ( -0.000 0.000 -0.000) 0.000 22.225 ( -0.000 -0.000 0.000) 0.000 22.225 ( -0.000 0.000 0.000) 0.000 22.280 ( -0.000 0.000 0.000) 0.000 22.280 ( 0.000 0.000 -0.000) 0.000 27.525 ( -0.000 -0.000 -0.000) 0.000 27.525 ( -0.000 0.000 0.000) 0.000 27.527 ( 0.000 -0.000 0.000) 0.000 27.527 ( 0.000 0.000 0.000) 0.000 29.933 ( 0.000 0.000 0.000) 0.000 29.933 ( -0.000 0.000 0.000) 0.000 30.108 ( 0.000 0.000 0.000) 0.000 30.108 ( -0.000 0.000 0.000) 0.000 31.109 ( -0.000 0.000 0.000) 0.000 31.109 ( -0.000 0.000 0.000) 0.000 31.719 ( 0.000 0.000 0.000) 0.000 31.719 ( -0.000 0.000 0.000) 0.000 32.405 ( -0.000 0.000 0.000) 0.000 32.405 ( 0.000 0.000 0.000) 0.000 32.543 ( 0.000 0.000 0.000) 0.000 32.543 ( -0.000 0.000 0.000) 0.000 33.345 ( 0.000 0.000 0.000) 0.000 33.345 ( 0.000 0.000 0.000) 0.000 33.737 ( 0.000 0.000 0.000) 0.000 33.737 ( -0.000 0.000 0.000) 0.000 34.122 ( 0.000 0.000 -0.000) 0.000 34.122 ( -0.000 0.000 0.000) 0.000 34.375 ( 0.000 0.000 -0.000) 0.000 34.375 ( -0.000 0.000 0.000) 0.000 36.340 ( 0.000 0.000 0.000) 0.000 36.340 ( 0.000 0.000 0.000) 0.000 36.993 ( -0.000 0.000 0.000) 0.000 36.993 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 175 (86/88) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 1.281 -4.124 0.267) 4.327 2.283 ( 1.281 4.124 0.267) 4.327 2.709 ( -1.023 -1.672 -1.575) 2.515 2.709 ( -1.023 1.672 -1.575) 2.515 3.020 ( 5.518 -7.946 -3.163) 10.178 3.020 ( 5.518 7.946 -3.163) 10.178 3.440 ( 1.281 -8.299 2.786) 8.847 3.440 ( 1.281 8.299 2.786) 8.847 3.523 ( 2.439 -9.196 -7.294) 11.988 3.523 ( 2.439 9.196 -7.294) 11.988 3.787 ( 11.709 -10.188 -9.944) 18.433 3.787 ( 11.709 10.188 -9.944) 18.433 4.198 ( -0.425 -8.933 -4.565) 10.041 4.198 ( -0.425 8.933 -4.565) 10.041 4.583 ( 4.957 -3.309 3.680) 7.005 4.583 ( 4.957 3.309 3.680) 7.005 4.876 ( 3.089 -3.277 -4.113) 6.099 4.876 ( 3.089 3.277 -4.113) 6.099 5.066 ( 3.993 -5.343 -4.488) 8.040 5.066 ( 3.993 5.343 -4.488) 8.040 5.161 ( 0.040 -3.235 4.809) 5.796 5.161 ( 0.040 3.235 4.809) 5.796 5.461 ( 4.208 -2.865 5.202) 7.279 5.461 ( 4.208 2.865 5.202) 7.279 5.704 ( 0.084 -1.926 -4.572) 4.962 5.704 ( 0.084 1.926 -4.572) 4.962 6.173 ( 0.448 -1.919 10.317) 10.504 6.173 ( 0.448 1.919 10.317) 10.504 6.392 ( 5.421 -3.831 8.868) 11.078 6.392 ( 5.421 3.831 8.868) 11.078 6.832 ( -7.512 -5.197 6.425) 11.167 6.832 ( -7.512 5.197 6.425) 11.167 7.000 ( 4.374 -9.298 1.566) 10.394 7.000 ( 4.374 9.298 1.566) 10.394 7.220 ( 1.461 -4.986 2.902) 5.951 7.220 ( 1.461 4.986 2.902) 5.951 7.377 ( -0.981 -3.382 -4.981) 6.100 7.377 ( -0.981 3.382 -4.981) 6.100 7.979 ( 2.662 -5.334 -2.512) 6.469 7.979 ( 2.662 5.334 -2.512) 6.469 8.249 ( -0.772 -6.495 -0.825) 6.593 8.249 ( -0.772 6.495 -0.825) 6.593 8.478 ( -3.015 -2.490 -0.287) 3.921 8.478 ( -3.015 2.490 -0.287) 3.921 8.901 ( 6.563 -5.968 1.851) 9.062 8.901 ( 6.563 5.968 1.851) 9.062 9.121 ( -0.183 -3.449 -1.433) 3.739 9.121 ( -0.183 3.449 -1.433) 3.739 9.563 ( -4.999 -8.371 4.582) 10.773 9.563 ( -4.999 8.371 4.582) 10.773 9.735 ( -8.688 -2.265 -7.199) 11.508 9.735 ( -8.688 2.265 -7.199) 11.508 10.178 ( -3.053 -8.301 5.623) 10.481 10.178 ( -3.053 8.301 5.623) 10.481 10.267 ( 3.068 -14.205 -14.204) 20.321 10.267 ( 3.068 14.205 -14.204) 20.321 10.530 ( -5.758 -8.833 2.395) 10.813 10.530 ( -5.758 8.833 2.395) 10.813 11.188 ( 0.163 -3.528 8.194) 8.923 11.188 ( 0.163 3.528 8.194) 8.923 11.331 ( -7.452 -1.076 -13.752) 15.678 11.331 ( -7.452 1.076 -13.752) 15.678 11.765 ( -0.571 -15.872 4.786) 16.588 11.765 ( -0.571 15.872 4.786) 16.588 12.251 ( -5.616 -8.536 -7.210) 12.505 12.251 ( -5.616 8.536 -7.210) 12.505 12.515 ( -3.677 -5.145 -2.626) 6.847 12.515 ( -3.677 5.145 -2.626) 6.847 12.871 ( -7.818 -5.010 4.629) 10.375 12.871 ( -7.818 5.010 4.629) 10.375 13.115 ( -1.149 -4.355 -3.710) 5.835 13.115 ( -1.149 4.355 -3.710) 5.835 13.442 ( 2.814 -1.860 12.448) 12.897 13.442 ( 2.814 1.860 12.448) 12.897 13.553 ( 2.112 -0.513 1.740) 2.784 13.553 ( 2.112 0.513 1.740) 2.784 14.668 ( -10.012 -0.752 2.053) 10.248 14.668 ( -10.012 0.752 2.053) 10.248 14.945 ( -3.147 -1.553 -4.451) 5.668 14.945 ( -3.147 1.553 -4.451) 5.668 15.430 ( 12.046 -3.941 8.938) 15.509 15.430 ( 12.046 3.941 8.938) 15.509 15.651 ( 13.242 -3.967 -2.389) 14.029 15.651 ( 13.242 3.967 -2.389) 14.029 16.186 ( 4.903 -9.997 -2.036) 11.319 16.186 ( 4.903 9.997 -2.036) 11.319 16.396 ( 2.653 -1.742 2.769) 4.212 16.396 ( 2.653 1.742 2.769) 4.212 17.112 ( -1.328 -6.116 -3.778) 7.310 17.112 ( -1.328 6.116 -3.778) 7.310 17.311 ( 1.787 -5.371 -3.791) 6.813 17.311 ( 1.787 5.371 -3.791) 6.813 17.971 ( -2.200 -3.283 2.632) 4.749 17.971 ( -2.200 3.283 2.632) 4.749 18.350 ( 9.800 -6.792 0.591) 11.939 18.350 ( 9.800 6.792 0.591) 11.939 18.497 ( -3.069 -4.211 -5.913) 7.882 18.497 ( -3.069 4.211 -5.913) 7.882 19.250 ( 2.595 -3.533 5.102) 6.727 19.250 ( 2.595 3.533 5.102) 6.727 22.107 ( -11.057 -3.637 -0.321) 11.645 22.107 ( -11.057 3.637 -0.321) 11.645 22.253 ( -2.596 -1.909 0.329) 3.240 22.253 ( -2.596 1.909 0.329) 3.240 27.485 ( 2.535 -4.369 0.725) 5.103 27.485 ( 2.535 4.369 0.725) 5.103 27.723 ( 11.815 -8.598 -0.172) 14.613 27.723 ( 11.815 8.598 -0.172) 14.613 29.926 ( -0.473 -1.249 0.329) 1.375 29.926 ( -0.473 1.249 0.329) 1.375 30.151 ( 4.086 -2.598 -0.862) 4.918 30.151 ( 4.086 2.598 -0.862) 4.918 31.111 ( 0.183 -0.310 -0.015) 0.360 31.111 ( 0.183 0.310 -0.015) 0.360 31.706 ( -1.428 -1.127 0.678) 1.941 31.706 ( -1.428 1.127 0.678) 1.941 32.416 ( 0.736 -2.339 1.006) 2.650 32.416 ( 0.736 2.339 1.006) 2.650 32.576 ( 3.473 -1.634 -1.834) 4.254 32.576 ( 3.473 1.634 -1.834) 4.254 33.276 ( -3.383 -2.346 -4.428) 6.046 33.276 ( -3.383 2.346 -4.428) 6.046 33.764 ( -1.223 -7.231 4.097) 8.400 33.764 ( -1.223 7.231 4.097) 8.400 34.130 ( 3.014 -2.803 -1.802) 4.493 34.130 ( 3.014 2.803 -1.802) 4.493 34.435 ( 4.553 -3.304 1.331) 5.781 34.435 ( 4.553 3.304 1.331) 5.781 36.312 ( -2.648 -4.737 0.100) 5.428 36.312 ( -2.648 4.737 0.100) 5.428 36.901 ( -8.776 -3.330 -0.245) 9.390 36.901 ( -8.776 3.330 -0.245) 9.390 ======================= Grid point 177 (87/88) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 1.990 -5.107 3.081) 6.287 2.330 ( 1.990 5.107 3.081) 6.287 2.635 ( -3.480 -1.704 -3.776) 5.411 2.635 ( -3.480 1.704 -3.776) 5.411 3.070 ( 2.710 -9.219 -0.676) 9.633 3.070 ( 2.710 9.219 -0.676) 9.633 3.395 ( -3.574 -5.913 -3.061) 7.557 3.395 ( -3.574 5.913 -3.061) 7.557 3.701 ( 13.896 -2.839 -6.909) 15.777 3.701 ( 13.896 2.839 -6.909) 15.777 3.916 ( 10.788 -8.885 -12.381) 18.672 3.916 ( 10.788 8.885 -12.381) 18.672 4.249 ( 5.575 -1.084 3.478) 6.660 4.249 ( 5.575 1.084 3.478) 6.660 4.685 ( 3.645 -4.877 -1.084) 6.184 4.685 ( 3.645 4.877 -1.084) 6.184 4.969 ( 5.938 -5.397 -0.224) 8.027 4.969 ( 5.938 5.397 -0.224) 8.027 5.065 ( -0.819 -3.265 1.718) 3.779 5.065 ( -0.819 3.265 1.718) 3.779 5.234 ( 3.711 -3.441 -0.033) 5.061 5.234 ( 3.711 3.441 -0.033) 5.061 5.530 ( 7.094 -8.575 -0.585) 11.145 5.530 ( 7.094 8.575 -0.585) 11.145 5.792 ( 5.044 -4.988 -3.108) 7.745 5.792 ( 5.044 4.988 -3.108) 7.745 6.188 ( -4.726 -7.792 9.229) 12.970 6.188 ( -4.726 7.792 9.229) 12.970 6.614 ( 0.772 -8.611 8.856) 12.376 6.614 ( 0.772 8.611 8.856) 12.376 6.681 ( -4.306 -2.341 6.305) 7.986 6.681 ( -4.306 2.341 6.305) 7.986 7.068 ( -1.211 -4.095 -4.015) 5.862 7.068 ( -1.211 4.095 -4.015) 5.862 7.235 ( 1.889 -6.849 9.892) 12.179 7.235 ( 1.889 6.849 9.892) 12.179 7.496 ( 12.169 -3.735 -1.824) 12.859 7.496 ( 12.169 3.735 -1.824) 12.859 7.954 ( -3.998 -7.009 -1.066) 8.140 7.954 ( -3.998 7.009 -1.066) 8.140 8.283 ( 4.985 -5.583 -1.688) 7.673 8.283 ( 4.985 5.583 -1.688) 7.673 8.431 ( -1.858 -3.609 0.538) 4.094 8.431 ( -1.858 3.609 0.538) 4.094 9.005 ( 1.331 -3.257 -5.824) 6.804 9.005 ( 1.331 3.257 -5.824) 6.804 9.105 ( -0.983 -7.699 5.054) 9.262 9.105 ( -0.983 7.699 5.054) 9.262 9.356 ( -16.237 -10.657 2.610) 19.597 9.356 ( -16.237 10.657 2.610) 19.597 9.536 ( -4.750 -5.293 -8.672) 11.216 9.536 ( -4.750 5.293 -8.672) 11.216 10.121 ( 0.342 -10.580 -7.995) 13.266 10.121 ( 0.342 10.580 -7.995) 13.266 10.233 ( -3.574 -11.212 2.811) 12.099 10.233 ( -3.574 11.212 2.811) 12.099 10.485 ( 0.591 -12.539 3.821) 13.122 10.485 ( 0.591 12.539 3.821) 13.122 11.001 ( -7.910 -6.132 -10.404) 14.437 11.001 ( -7.910 6.132 -10.404) 14.437 11.354 ( 1.496 -3.904 8.329) 9.320 11.354 ( 1.496 3.904 8.329) 9.320 11.734 ( -6.899 -11.913 0.300) 13.769 11.734 ( -6.899 11.913 0.300) 13.769 12.025 ( -6.146 -9.491 -8.776) 14.314 12.025 ( -6.146 9.491 -8.776) 14.314 12.386 ( -3.636 -6.505 -6.671) 10.002 12.386 ( -3.636 6.505 -6.671) 10.002 12.731 ( -7.942 -5.834 3.557) 10.477 12.731 ( -7.942 5.834 3.557) 10.477 13.107 ( 0.734 -6.001 -2.180) 6.426 13.107 ( 0.734 6.001 -2.180) 6.426 13.614 ( 4.173 -3.897 10.154) 11.649 13.614 ( 4.173 3.897 10.154) 11.649 13.647 ( 4.250 -1.859 6.561) 8.036 13.647 ( 4.250 1.859 6.561) 8.036 14.520 ( -5.685 -0.670 1.401) 5.893 14.520 ( -5.685 0.670 1.401) 5.893 14.827 ( -5.139 -2.403 -2.549) 6.220 14.827 ( -5.139 2.403 -2.549) 6.220 15.677 ( 1.347 -3.678 8.219) 9.104 15.677 ( 1.347 3.678 8.219) 9.104 15.943 ( 19.700 -0.661 -2.607) 19.882 15.943 ( 19.700 0.661 -2.607) 19.882 16.270 ( 4.984 -8.721 -3.902) 10.776 16.270 ( 4.984 8.721 -3.902) 10.776 16.470 ( 2.114 -2.319 2.389) 3.944 16.470 ( 2.114 2.319 2.389) 3.944 17.105 ( 2.418 -8.396 0.457) 8.749 17.105 ( 2.418 8.396 0.457) 8.749 17.295 ( 0.392 -7.434 -5.122) 9.036 17.295 ( 0.392 7.434 -5.122) 9.036 17.919 ( -4.846 -3.878 3.088) 6.932 17.919 ( -4.846 3.878 3.088) 6.932 18.241 ( -7.368 -3.438 -10.194) 13.039 18.241 ( -7.368 3.438 -10.194) 13.039 18.712 ( 13.969 -8.799 3.813) 16.944 18.712 ( 13.969 8.799 3.813) 16.944 19.378 ( 6.554 -5.828 4.914) 10.053 19.378 ( 6.554 5.828 4.914) 10.053 21.830 ( -14.734 -3.353 -1.082) 15.150 21.830 ( -14.734 3.353 -1.082) 15.150 22.200 ( -2.741 -0.998 0.624) 2.983 22.200 ( -2.741 0.998 0.624) 2.983 27.607 ( 6.901 -1.717 3.166) 7.785 27.607 ( 6.901 1.717 3.166) 7.785 27.940 ( 9.941 -8.296 -1.597) 13.046 27.940 ( 9.941 8.296 -1.597) 13.046 29.927 ( 0.188 -1.080 0.489) 1.200 29.927 ( 0.188 1.080 0.489) 1.200 30.231 ( 4.280 -3.142 -1.255) 5.456 30.231 ( 4.280 3.142 -1.255) 5.456 31.115 ( 0.191 -0.493 -0.057) 0.532 31.115 ( 0.191 0.493 -0.057) 0.532 31.682 ( -1.563 -1.475 1.183) 2.453 31.682 ( -1.563 1.475 1.183) 2.453 32.450 ( 1.582 -2.457 1.673) 3.367 32.450 ( 1.582 2.457 1.673) 3.367 32.613 ( 2.231 -0.884 -5.480) 5.982 32.613 ( 2.231 0.884 -5.480) 5.982 33.216 ( 0.086 -2.896 0.884) 3.029 33.216 ( 0.086 2.896 0.884) 3.029 33.703 ( -5.766 -8.663 -0.945) 10.449 33.703 ( -5.766 8.663 -0.945) 10.449 34.235 ( 6.815 -4.688 1.223) 8.362 34.235 ( 6.815 4.688 1.223) 8.362 34.536 ( 4.252 -3.192 0.295) 5.325 34.536 ( 4.252 3.192 0.295) 5.325 36.258 ( -2.294 -8.289 0.302) 8.606 36.258 ( -2.294 8.289 0.302) 8.606 36.678 ( -12.141 -5.525 -0.846) 13.366 36.678 ( -12.141 5.525 -0.846) 13.366 ======================= Grid point 179 (88/88) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 3.006 -3.133 5.519) 7.023 2.413 ( 3.006 3.133 5.519) 7.023 2.527 ( -3.648 -1.773 -5.559) 6.882 2.527 ( -3.648 1.773 -5.559) 6.882 3.143 ( 3.300 -7.953 2.719) 9.030 3.143 ( 3.300 7.953 2.719) 9.030 3.293 ( -3.595 -8.278 -3.760) 9.777 3.293 ( -3.595 8.278 -3.760) 9.777 3.828 ( 3.926 -0.751 -4.296) 5.868 3.828 ( 3.926 0.751 -4.296) 5.868 4.000 ( 4.717 -1.408 -4.587) 6.729 4.000 ( 4.717 1.408 -4.587) 6.729 4.418 ( 4.885 -4.412 2.203) 6.941 4.418 ( 4.885 4.412 2.203) 6.941 4.736 ( 2.216 -6.943 2.637) 7.751 4.736 ( 2.216 6.943 2.637) 7.751 4.976 ( -1.884 -3.035 -0.978) 3.704 4.976 ( -1.884 3.035 -0.978) 3.704 5.127 ( 3.675 -3.984 -1.951) 5.761 5.127 ( 3.675 3.984 -1.951) 5.761 5.303 ( 2.832 -1.780 1.455) 3.648 5.303 ( 2.832 1.780 1.455) 3.648 5.675 ( 0.256 -4.933 -0.927) 5.026 5.675 ( 0.256 4.933 -0.927) 5.026 5.795 ( 1.770 -1.341 -0.995) 2.433 5.795 ( 1.770 1.341 -0.995) 2.433 6.197 ( 2.092 -6.080 1.471) 6.596 6.197 ( 2.092 6.080 1.471) 6.596 6.528 ( -4.077 -2.538 4.959) 6.903 6.528 ( -4.077 2.538 4.959) 6.903 6.806 ( 2.280 -4.638 3.586) 6.291 6.806 ( 2.280 4.638 3.586) 6.291 6.989 ( -2.350 -2.781 -3.084) 4.772 6.989 ( -2.350 2.781 -3.084) 4.772 7.422 ( 7.885 -3.286 9.314) 12.638 7.422 ( 7.885 3.286 9.314) 12.638 7.619 ( -1.180 -1.800 -7.644) 7.941 7.619 ( -1.180 1.800 -7.644) 7.941 7.895 ( -0.152 -2.931 3.104) 4.272 7.895 ( -0.152 2.931 3.104) 4.272 8.359 ( 3.916 -1.239 -1.895) 4.524 8.359 ( 3.916 1.239 -1.895) 4.524 8.412 ( -1.634 -2.555 1.470) 3.370 8.412 ( -1.634 2.555 1.470) 3.370 8.913 ( -1.602 -2.769 -3.152) 4.491 8.913 ( -1.602 2.769 -3.152) 4.491 8.996 ( -10.495 -7.334 2.269) 13.003 8.996 ( -10.495 7.334 2.269) 13.003 9.273 ( 3.536 -7.826 -0.113) 8.589 9.273 ( 3.536 7.826 -0.113) 8.589 9.368 ( -5.515 -6.674 -3.990) 9.533 9.368 ( -5.515 6.674 -3.990) 9.533 10.113 ( 5.859 -13.027 -10.866) 17.948 10.113 ( 5.859 13.027 -10.866) 17.948 10.166 ( -7.583 -12.852 10.523) 18.260 10.166 ( -7.583 12.852 10.523) 18.260 10.609 ( 6.111 -12.859 6.623) 15.702 10.609 ( 6.111 12.859 6.623) 15.702 10.802 ( -5.300 -11.304 -8.382) 15.038 10.802 ( -5.300 11.304 -8.382) 15.038 11.414 ( -1.105 -7.464 6.732) 10.112 11.414 ( -1.105 7.464 6.732) 10.112 11.511 ( -6.893 -9.765 -7.424) 14.071 11.511 ( -6.893 9.765 -7.424) 14.071 11.960 ( -0.261 -4.422 0.058) 4.430 11.960 ( -0.261 4.422 0.058) 4.430 12.322 ( 1.344 -2.895 -4.338) 5.385 12.322 ( 1.344 2.895 -4.338) 5.385 12.620 ( -4.751 -2.493 1.887) 5.688 12.620 ( -4.751 2.493 1.887) 5.688 13.104 ( 0.482 -2.708 -1.404) 3.089 13.104 ( 0.482 2.708 -1.404) 3.089 13.724 ( 1.833 -1.718 2.976) 3.894 13.724 ( 1.833 1.718 2.976) 3.894 13.782 ( 2.522 -0.436 4.833) 5.469 13.782 ( 2.522 0.436 4.833) 5.469 14.467 ( -0.975 -0.876 0.830) 1.551 14.467 ( -0.975 0.876 0.830) 1.551 14.722 ( -3.099 -0.574 -1.368) 3.436 14.722 ( -3.099 0.574 -1.368) 3.436 15.703 ( -0.989 -1.888 2.266) 3.111 15.703 ( -0.989 1.888 2.266) 3.111 16.196 ( 5.496 -2.706 -4.168) 7.409 16.196 ( 5.496 2.706 -4.168) 7.409 16.372 ( 8.056 -5.164 1.455) 9.679 16.372 ( 8.056 5.164 1.455) 9.679 16.490 ( -2.444 -3.154 1.252) 4.182 16.490 ( -2.444 3.154 1.252) 4.182 17.183 ( 2.652 -8.412 2.850) 9.269 17.183 ( 2.652 8.412 2.850) 9.269 17.255 ( -0.607 -8.111 -3.873) 9.008 17.255 ( -0.607 8.111 -3.873) 9.008 17.886 ( -0.223 -4.025 5.628) 6.922 17.886 ( -0.223 4.025 5.628) 6.922 18.019 ( -6.556 -2.858 -8.971) 11.473 18.019 ( -6.556 2.858 -8.971) 11.473 18.923 ( 4.513 -3.618 1.727) 6.037 18.923 ( 4.513 3.618 1.727) 6.037 19.552 ( 5.738 -3.832 2.079) 7.206 19.552 ( 5.738 3.832 2.079) 7.206 21.584 ( -7.365 -1.591 -0.745) 7.572 21.584 ( -7.365 1.591 -0.745) 7.572 22.165 ( -1.060 -0.242 0.328) 1.135 22.165 ( -1.060 0.242 0.328) 1.135 27.744 ( 3.460 -1.201 2.109) 4.226 27.744 ( 3.460 1.201 2.109) 4.226 28.066 ( 3.672 -3.848 -1.138) 5.439 28.066 ( 3.672 3.848 -1.138) 5.439 29.936 ( 0.261 -0.416 0.281) 0.566 29.936 ( 0.261 0.416 0.281) 0.566 30.284 ( 1.701 -1.467 -0.668) 2.344 30.284 ( 1.701 1.467 -0.668) 2.344 31.117 ( 0.069 -0.259 -0.038) 0.271 31.117 ( 0.069 0.259 -0.038) 0.271 31.668 ( -0.578 -0.690 0.700) 1.141 31.668 ( -0.578 0.690 0.700) 1.141 32.503 ( 1.893 -1.795 3.081) 4.037 32.503 ( 1.893 1.795 3.081) 4.037 32.572 ( -1.124 -1.101 -5.863) 6.071 32.572 ( -1.124 1.101 -5.863) 6.071 33.293 ( 3.981 -2.354 4.061) 6.155 33.293 ( 3.981 2.354 4.061) 6.155 33.559 ( -5.617 -4.789 -3.280) 8.078 33.559 ( -5.617 4.789 -3.280) 8.078 34.365 ( 3.949 -2.511 1.174) 4.825 34.365 ( 3.949 2.511 1.174) 4.825 34.589 ( 1.091 -1.761 -0.385) 2.107 34.589 ( 1.091 1.761 -0.385) 2.107 36.247 ( 0.810 -6.894 0.408) 6.954 36.247 ( 0.810 6.894 0.408) 6.954 36.463 ( -7.303 -5.278 -0.758) 9.042 36.463 ( -7.303 5.278 -0.758) 9.042 =================== 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 3/33264 10.0 714.987 519.422 1066.753 0.000 -0.481 0.000 3/33264 20.0 93.349 71.400 105.279 0.000 -3.844 0.000 3/33264 30.0 31.679 24.344 34.628 0.000 -1.330 0.000 3/33264 40.0 16.960 13.438 18.389 0.000 -0.721 0.000 3/33264 50.0 11.304 9.160 12.222 0.000 -0.449 0.000 3/33264 60.0 8.445 6.932 9.136 0.000 -0.304 0.000 3/33264 70.0 6.752 5.580 7.325 0.000 -0.219 0.000 3/33264 80.0 5.643 4.678 6.147 0.000 -0.166 0.000 3/33264 90.0 4.863 4.038 5.323 0.000 -0.132 0.000 3/33264 100.0 4.287 3.562 4.715 0.000 -0.109 0.000 3/33264 110.0 3.843 3.194 4.247 0.000 -0.092 0.000 3/33264 120.0 3.492 2.902 3.874 0.000 -0.079 0.000 3/33264 130.0 3.207 2.664 3.569 0.000 -0.068 0.000 3/33264 140.0 2.971 2.465 3.314 0.000 -0.060 0.000 3/33264 150.0 2.773 2.298 3.097 0.000 -0.053 0.000 3/33264 160.0 2.603 2.154 2.910 0.000 -0.047 0.000 3/33264 170.0 2.456 2.029 2.747 0.000 -0.042 0.000 3/33264 180.0 2.327 1.919 2.602 0.000 -0.037 0.000 3/33264 190.0 2.214 1.821 2.474 0.000 -0.033 0.000 3/33264 200.0 2.112 1.735 2.359 0.000 -0.030 0.000 3/33264 210.0 2.021 1.657 2.255 0.000 -0.027 0.000 3/33264 220.0 1.939 1.586 2.161 0.000 -0.024 0.000 3/33264 230.0 1.864 1.522 2.075 0.000 -0.022 0.000 3/33264 240.0 1.796 1.463 1.996 0.000 -0.020 0.000 3/33264 250.0 1.733 1.409 1.924 0.000 -0.018 0.000 3/33264 260.0 1.676 1.360 1.857 0.000 -0.016 0.000 3/33264 270.0 1.622 1.314 1.795 0.000 -0.015 0.000 3/33264 280.0 1.572 1.271 1.737 0.000 -0.014 0.000 3/33264 290.0 1.526 1.232 1.684 0.000 -0.013 0.000 3/33264 300.0 1.482 1.195 1.634 0.000 -0.012 0.000 3/33264 310.0 1.441 1.160 1.587 0.000 -0.011 0.000 3/33264 320.0 1.403 1.128 1.543 0.000 -0.010 0.000 3/33264 330.0 1.367 1.097 1.502 0.000 -0.010 0.000 3/33264 340.0 1.333 1.069 1.463 0.000 -0.009 0.000 3/33264 350.0 1.300 1.041 1.426 0.000 -0.008 0.000 3/33264 360.0 1.269 1.016 1.391 0.000 -0.008 0.000 3/33264 370.0 1.240 0.991 1.358 0.000 -0.008 0.000 3/33264 380.0 1.213 0.968 1.326 0.000 -0.007 0.000 3/33264 390.0 1.186 0.946 1.297 0.000 -0.007 0.000 3/33264 400.0 1.161 0.925 1.268 0.000 -0.007 0.000 3/33264 410.0 1.137 0.905 1.241 0.000 -0.006 0.000 3/33264 420.0 1.114 0.886 1.215 0.000 -0.006 0.000 3/33264 430.0 1.091 0.868 1.190 0.000 -0.006 0.000 3/33264 440.0 1.070 0.850 1.166 0.000 -0.006 0.000 3/33264 450.0 1.050 0.834 1.144 0.000 -0.006 0.000 3/33264 460.0 1.030 0.818 1.122 0.000 -0.006 0.000 3/33264 470.0 1.011 0.802 1.101 0.000 -0.005 0.000 3/33264 480.0 0.993 0.787 1.081 0.000 -0.005 0.000 3/33264 490.0 0.975 0.773 1.061 0.000 -0.005 0.000 3/33264 500.0 0.959 0.759 1.042 0.000 -0.005 0.000 3/33264 510.0 0.942 0.746 1.024 0.000 -0.005 0.000 3/33264 520.0 0.926 0.733 1.007 0.000 -0.005 0.000 3/33264 530.0 0.911 0.721 0.990 0.000 -0.005 0.000 3/33264 540.0 0.896 0.709 0.974 0.000 -0.005 0.000 3/33264 550.0 0.882 0.697 0.958 0.000 -0.005 0.000 3/33264 560.0 0.868 0.686 0.943 0.000 -0.005 0.000 3/33264 570.0 0.855 0.675 0.928 0.000 -0.005 0.000 3/33264 580.0 0.842 0.664 0.914 0.000 -0.005 0.000 3/33264 590.0 0.829 0.654 0.900 0.000 -0.005 0.000 3/33264 600.0 0.817 0.644 0.886 0.000 -0.005 0.000 3/33264 610.0 0.805 0.635 0.873 0.000 -0.005 0.000 3/33264 620.0 0.793 0.626 0.861 0.000 -0.005 0.000 3/33264 630.0 0.782 0.617 0.848 0.000 -0.004 0.000 3/33264 640.0 0.771 0.608 0.836 0.000 -0.004 0.000 3/33264 650.0 0.761 0.599 0.825 0.000 -0.004 0.000 3/33264 660.0 0.750 0.591 0.814 0.000 -0.004 0.000 3/33264 670.0 0.740 0.583 0.803 0.000 -0.004 0.000 3/33264 680.0 0.730 0.575 0.792 0.000 -0.004 0.000 3/33264 690.0 0.721 0.567 0.781 0.000 -0.004 0.000 3/33264 700.0 0.712 0.560 0.771 0.000 -0.004 0.000 3/33264 710.0 0.702 0.553 0.761 0.000 -0.004 0.000 3/33264 720.0 0.694 0.546 0.752 0.000 -0.004 0.000 3/33264 730.0 0.685 0.539 0.742 0.000 -0.004 0.000 3/33264 740.0 0.676 0.532 0.733 0.000 -0.004 0.000 3/33264 750.0 0.668 0.525 0.724 0.000 -0.004 0.000 3/33264 760.0 0.660 0.519 0.715 0.000 -0.004 0.000 3/33264 770.0 0.652 0.513 0.707 0.000 -0.004 0.000 3/33264 780.0 0.645 0.507 0.698 0.000 -0.004 0.000 3/33264 790.0 0.637 0.501 0.690 0.000 -0.004 0.000 3/33264 800.0 0.630 0.495 0.682 0.000 -0.004 0.000 3/33264 810.0 0.623 0.489 0.675 0.000 -0.004 0.000 3/33264 820.0 0.616 0.484 0.667 0.000 -0.004 0.000 3/33264 830.0 0.609 0.478 0.659 0.000 -0.004 0.000 3/33264 840.0 0.602 0.473 0.652 0.000 -0.004 0.000 3/33264 850.0 0.596 0.468 0.645 0.000 -0.004 0.000 3/33264 860.0 0.589 0.462 0.638 0.000 -0.004 0.000 3/33264 870.0 0.583 0.458 0.631 0.000 -0.004 0.000 3/33264 880.0 0.577 0.453 0.625 0.000 -0.004 0.000 3/33264 890.0 0.571 0.448 0.618 0.000 -0.004 0.000 3/33264 900.0 0.565 0.443 0.612 0.000 -0.004 0.000 3/33264 910.0 0.559 0.439 0.605 0.000 -0.004 0.000 3/33264 920.0 0.553 0.434 0.599 0.000 -0.004 0.000 3/33264 930.0 0.548 0.430 0.593 0.000 -0.004 0.000 3/33264 940.0 0.542 0.425 0.587 0.000 -0.004 0.000 3/33264 950.0 0.537 0.421 0.581 0.000 -0.004 0.000 3/33264 960.0 0.532 0.417 0.576 0.000 -0.004 0.000 3/33264 970.0 0.526 0.413 0.570 0.000 -0.004 0.000 3/33264 980.0 0.521 0.409 0.565 0.000 -0.004 0.000 3/33264 990.0 0.516 0.405 0.559 0.000 -0.004 0.000 3/33264 1000.0 0.512 0.401 0.554 0.000 -0.004 0.000 3/33264 Thermal conductivity related properties were written into "kappa-m766.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:11:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|