----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:33:33]------------------------- Compiled with OpenMP support (max 48 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 5.855437241953962 0.000000000000000 0.000000000000000 b 0.000000000000000 8.874067589999997 0.000000000000000 c -5.534961715893984 0.000000000000000 12.208122264874401 Atomic positions (fractional): *1 O 0.98441533678758 0.63788251609625 0.87155318595347 15.999 2 O 0.01558466321242 0.13788251609625 0.62844681404653 15.999 3 O 0.01558466321242 0.36211748390375 0.12844681404653 15.999 4 O 0.98441533678758 0.86211748390375 0.37155318595347 15.999 *5 O 0.31361977354935 0.08787618437113 0.31150534317764 15.999 6 O 0.68638022645065 0.58787618437113 0.18849465682236 15.999 *7 O 0.06813088475517 0.86658892048063 0.06113176410795 15.999 8 O 0.93186911524483 0.36658892048063 0.43886823589205 15.999 9 O 0.93186911524483 0.13341107951937 0.93886823589205 15.999 10 O 0.06813088475517 0.63341107951937 0.56113176410795 15.999 *11 O 0.55343121196495 0.86789717105962 0.87811420720558 15.999 12 O 0.44656878803506 0.36789717105962 0.62188579279442 15.999 13 O 0.44656878803506 0.13210282894038 0.12188579279442 15.999 14 O 0.55343121196495 0.63210282894038 0.37811420720558 15.999 15 O 0.68638022645065 0.91212381562887 0.68849465682236 15.999 16 O 0.31361977354935 0.41212381562887 0.81150534317764 15.999 *17 Ag 0.13465639842631 0.27267706991384 0.88132180159601 107.868 18 Ag 0.13465639842631 0.22732293008616 0.38132180159600 107.868 *19 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 20 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 *21 Ag 0.40132210028980 0.85658916203320 0.35686795248066 107.868 22 Ag 0.59867789971020 0.35658916203320 0.14313204751934 107.868 23 Ag 0.59867789971020 0.14341083796680 0.64313204751935 107.868 24 Ag 0.40132210028980 0.64341083796680 0.85686795248065 107.868 *25 Ag 0.28521120552782 0.01041259763836 0.75356676955665 107.868 26 Ag 0.71478879447218 0.51041259763836 0.74643323044335 107.868 27 Ag 0.71478879447218 0.98958740236164 0.24643323044335 107.868 28 Ag 0.28521120552782 0.48958740236164 0.25356676955665 107.868 *29 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 30 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 *31 Ag 0.38143804699512 0.73209618246588 0.12659931626807 107.868 32 Ag 0.61856195300488 0.23209618246588 0.37340068373192 107.868 33 Ag 0.61856195300488 0.26790381753412 0.87340068373193 107.868 34 Ag 0.38143804699512 0.76790381753412 0.62659931626807 107.868 35 Ag 0.86534360157370 0.72732293008616 0.11867819840400 107.868 36 Ag 0.86534360157370 0.77267706991384 0.61867819840399 107.868 *37 Bi 0.92393894671025 0.61633174003827 0.37394239092393 208.980 38 Bi 0.07606105328975 0.11633174003827 0.12605760907607 208.980 39 Bi 0.07606105328975 0.38366825996173 0.62605760907607 208.980 40 Bi 0.92393894671025 0.88366825996173 0.87394239092393 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.855437241953962 0.000000000000000 0.000000000000000 b 0.000000000000000 8.874067589999997 0.000000000000000 c -5.534961715893984 0.000000000000000 12.208122264874401 Atomic positions (fractional): *1 O 0.98441533678758 0.63788251609625 0.87155318595347 15.999 > 1 2 O 0.01558466321242 0.13788251609625 0.62844681404653 15.999 > 2 3 O 0.01558466321242 0.36211748390375 0.12844681404653 15.999 > 3 4 O 0.98441533678758 0.86211748390375 0.37155318595347 15.999 > 4 *5 O 0.31361977354935 0.08787618437113 0.31150534317764 15.999 > 5 6 O 0.68638022645065 0.58787618437113 0.18849465682236 15.999 > 6 *7 O 0.06813088475517 0.86658892048063 0.06113176410795 15.999 > 7 8 O 0.93186911524483 0.36658892048063 0.43886823589205 15.999 > 8 9 O 0.93186911524483 0.13341107951937 0.93886823589205 15.999 > 9 10 O 0.06813088475517 0.63341107951937 0.56113176410795 15.999 > 10 *11 O 0.55343121196495 0.86789717105962 0.87811420720558 15.999 > 11 12 O 0.44656878803506 0.36789717105962 0.62188579279442 15.999 > 12 13 O 0.44656878803506 0.13210282894038 0.12188579279442 15.999 > 13 14 O 0.55343121196495 0.63210282894038 0.37811420720558 15.999 > 14 15 O 0.68638022645065 0.91212381562887 0.68849465682236 15.999 > 15 16 O 0.31361977354935 0.41212381562887 0.81150534317764 15.999 > 16 *17 Ag 0.13465639842631 0.27267706991384 0.88132180159601 107.868 > 17 18 Ag 0.13465639842631 0.22732293008616 0.38132180159600 107.868 > 18 *19 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 19 20 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 20 *21 Ag 0.40132210028980 0.85658916203320 0.35686795248066 107.868 > 21 22 Ag 0.59867789971020 0.35658916203320 0.14313204751934 107.868 > 22 23 Ag 0.59867789971020 0.14341083796680 0.64313204751935 107.868 > 23 24 Ag 0.40132210028980 0.64341083796680 0.85686795248065 107.868 > 24 *25 Ag 0.28521120552782 0.01041259763836 0.75356676955665 107.868 > 25 26 Ag 0.71478879447218 0.51041259763836 0.74643323044335 107.868 > 26 27 Ag 0.71478879447218 0.98958740236164 0.24643323044335 107.868 > 27 28 Ag 0.28521120552782 0.48958740236164 0.25356676955665 107.868 > 28 *29 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 29 30 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 30 *31 Ag 0.38143804699512 0.73209618246588 0.12659931626807 107.868 > 31 32 Ag 0.61856195300488 0.23209618246588 0.37340068373192 107.868 > 32 33 Ag 0.61856195300488 0.26790381753412 0.87340068373193 107.868 > 33 34 Ag 0.38143804699512 0.76790381753412 0.62659931626807 107.868 > 34 35 Ag 0.86534360157370 0.72732293008616 0.11867819840400 107.868 > 35 36 Ag 0.86534360157370 0.77267706991384 0.61867819840399 107.868 > 36 *37 Bi 0.92393894671025 0.61633174003827 0.37394239092393 208.980 > 37 38 Bi 0.07606105328975 0.11633174003827 0.12605760907607 208.980 > 38 39 Bi 0.07606105328975 0.38366825996173 0.62605760907607 208.980 > 39 40 Bi 0.92393894671025 0.88366825996173 0.87394239092393 208.980 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.710874483907924 0.000000000000000 0.000000000000000 b 0.000000000000000 8.874067589999997 0.000000000000000 c -5.534961715893984 0.000000000000000 12.208122264874401 Atomic positions (fractional): *1 O 0.49220766839379 0.63788251609625 0.87155318595347 15.999 > 1 2 O 0.99220766839379 0.63788251609625 0.87155318595347 15.999 > 1 3 O 0.00779233160621 0.13788251609625 0.62844681404653 15.999 > 2 4 O 0.50779233160621 0.13788251609625 0.62844681404653 15.999 > 2 5 O 0.00779233160621 0.36211748390375 0.12844681404653 15.999 > 3 6 O 0.50779233160621 0.36211748390375 0.12844681404653 15.999 > 3 7 O 0.49220766839379 0.86211748390375 0.37155318595347 15.999 > 4 8 O 0.99220766839379 0.86211748390375 0.37155318595347 15.999 > 4 *9 O 0.15680988677468 0.08787618437113 0.31150534317764 15.999 > 5 10 O 0.65680988677468 0.08787618437113 0.31150534317764 15.999 > 5 11 O 0.34319011322532 0.58787618437113 0.18849465682236 15.999 > 6 12 O 0.84319011322532 0.58787618437113 0.18849465682236 15.999 > 6 *13 O 0.03406544237758 0.86658892048063 0.06113176410795 15.999 > 7 14 O 0.53406544237758 0.86658892048063 0.06113176410795 15.999 > 7 15 O 0.46593455762242 0.36658892048063 0.43886823589205 15.999 > 8 16 O 0.96593455762242 0.36658892048063 0.43886823589205 15.999 > 8 17 O 0.46593455762242 0.13341107951937 0.93886823589205 15.999 > 9 18 O 0.96593455762242 0.13341107951937 0.93886823589205 15.999 > 9 19 O 0.03406544237758 0.63341107951937 0.56113176410795 15.999 > 10 20 O 0.53406544237758 0.63341107951937 0.56113176410795 15.999 > 10 *21 O 0.27671560598247 0.86789717105962 0.87811420720558 15.999 > 11 22 O 0.77671560598247 0.86789717105962 0.87811420720558 15.999 > 11 23 O 0.22328439401753 0.36789717105962 0.62188579279442 15.999 > 12 24 O 0.72328439401753 0.36789717105962 0.62188579279442 15.999 > 12 25 O 0.22328439401753 0.13210282894038 0.12188579279442 15.999 > 13 26 O 0.72328439401753 0.13210282894038 0.12188579279442 15.999 > 13 27 O 0.27671560598247 0.63210282894038 0.37811420720558 15.999 > 14 28 O 0.77671560598247 0.63210282894038 0.37811420720558 15.999 > 14 29 O 0.34319011322532 0.91212381562887 0.68849465682236 15.999 > 15 30 O 0.84319011322532 0.91212381562887 0.68849465682236 15.999 > 15 31 O 0.15680988677468 0.41212381562887 0.81150534317764 15.999 > 16 32 O 0.65680988677468 0.41212381562887 0.81150534317764 15.999 > 16 *33 Ag 0.06732819921315 0.27267706991384 0.88132180159601 107.868 > 17 34 Ag 0.56732819921315 0.27267706991384 0.88132180159601 107.868 > 17 35 Ag 0.06732819921315 0.22732293008616 0.38132180159600 107.868 > 18 36 Ag 0.56732819921315 0.22732293008616 0.38132180159600 107.868 > 18 *37 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 19 38 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 19 39 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 20 40 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 20 *41 Ag 0.20066105014490 0.85658916203320 0.35686795248066 107.868 > 21 42 Ag 0.70066105014490 0.85658916203320 0.35686795248066 107.868 > 21 43 Ag 0.29933894985510 0.35658916203320 0.14313204751934 107.868 > 22 44 Ag 0.79933894985510 0.35658916203320 0.14313204751934 107.868 > 22 45 Ag 0.29933894985510 0.14341083796680 0.64313204751935 107.868 > 23 46 Ag 0.79933894985510 0.14341083796680 0.64313204751935 107.868 > 23 47 Ag 0.20066105014490 0.64341083796680 0.85686795248065 107.868 > 24 48 Ag 0.70066105014490 0.64341083796680 0.85686795248065 107.868 > 24 *49 Ag 0.14260560276391 0.01041259763836 0.75356676955665 107.868 > 25 50 Ag 0.64260560276391 0.01041259763836 0.75356676955665 107.868 > 25 51 Ag 0.35739439723609 0.51041259763836 0.74643323044335 107.868 > 26 52 Ag 0.85739439723609 0.51041259763836 0.74643323044335 107.868 > 26 53 Ag 0.35739439723609 0.98958740236164 0.24643323044335 107.868 > 27 54 Ag 0.85739439723609 0.98958740236164 0.24643323044335 107.868 > 27 55 Ag 0.14260560276391 0.48958740236164 0.25356676955665 107.868 > 28 56 Ag 0.64260560276391 0.48958740236164 0.25356676955665 107.868 > 28 *57 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 29 58 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 29 59 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 30 60 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 30 *61 Ag 0.19071902349756 0.73209618246588 0.12659931626807 107.868 > 31 62 Ag 0.69071902349756 0.73209618246588 0.12659931626807 107.868 > 31 63 Ag 0.30928097650244 0.23209618246588 0.37340068373192 107.868 > 32 64 Ag 0.80928097650244 0.23209618246588 0.37340068373192 107.868 > 32 65 Ag 0.30928097650244 0.26790381753412 0.87340068373193 107.868 > 33 66 Ag 0.80928097650244 0.26790381753412 0.87340068373193 107.868 > 33 67 Ag 0.19071902349756 0.76790381753412 0.62659931626807 107.868 > 34 68 Ag 0.69071902349756 0.76790381753412 0.62659931626807 107.868 > 34 69 Ag 0.43267180078685 0.72732293008616 0.11867819840400 107.868 > 35 70 Ag 0.93267180078685 0.72732293008616 0.11867819840400 107.868 > 35 71 Ag 0.43267180078685 0.77267706991384 0.61867819840399 107.868 > 36 72 Ag 0.93267180078685 0.77267706991384 0.61867819840399 107.868 > 36 *73 Bi 0.46196947335513 0.61633174003827 0.37394239092393 208.980 > 37 74 Bi 0.96196947335513 0.61633174003827 0.37394239092393 208.980 > 37 75 Bi 0.03803052664487 0.11633174003827 0.12605760907607 208.980 > 38 76 Bi 0.53803052664487 0.11633174003827 0.12605760907607 208.980 > 38 77 Bi 0.03803052664487 0.38366825996173 0.62605760907607 208.980 > 39 78 Bi 0.53803052664487 0.38366825996173 0.62605760907607 208.980 > 39 79 Bi 0.46196947335513 0.88366825996173 0.87394239092393 208.980 > 40 80 Bi 0.96196947335513 0.88366825996173 0.87394239092393 208.980 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.2822918 0.0000000 -0.0328183 0.0000000 9.0802615 0.0000000 -0.0328196 0.0000000 8.7475302 -------------------------- Born effective charges -------------------------- 1 O -1.6939010 -0.0205147 0.0984311 0.2960716 -3.3295122 0.1909007 0.0245670 -0.2538132 -1.9773442 2 O -1.6939010 0.0205147 0.0984311 -0.2960716 -3.3295122 -0.1909007 0.0245670 0.2538132 -1.9773442 3 O -1.6939010 -0.0205147 0.0984311 0.2960716 -3.3295122 0.1909007 0.0245670 -0.2538132 -1.9773442 4 O -1.6939010 0.0205147 0.0984311 -0.2960716 -3.3295122 -0.1909007 0.0245670 0.2538132 -1.9773442 5 O -1.9471333 0.2628104 -0.1687666 -0.0873280 -1.6489522 -0.0484109 -0.1729213 0.0343889 -2.6748803 6 O -1.9471333 -0.2628104 -0.1687666 0.0873280 -1.6489522 0.0484109 -0.1729213 -0.0343889 -2.6748803 7 O -1.7442705 0.3275248 0.1327584 0.0505455 -2.9425492 -0.1627923 0.1916980 -0.1480286 -2.9612162 8 O -1.7442705 -0.3275248 0.1327584 -0.0505455 -2.9425492 0.1627923 0.1916980 0.1480286 -2.9612162 9 O -1.7442705 0.3275248 0.1327584 0.0505455 -2.9425492 -0.1627923 0.1916980 -0.1480286 -2.9612162 10 O -1.7442705 -0.3275248 0.1327584 -0.0505455 -2.9425492 0.1627923 0.1916980 0.1480286 -2.9612162 11 O -3.1134214 0.2011067 -0.0039141 0.0941584 -1.7218357 0.0544815 0.0741185 -0.2331993 -1.6710922 12 O -3.1134214 -0.2011067 -0.0039141 -0.0941584 -1.7218357 -0.0544815 0.0741185 0.2331993 -1.6710922 13 O -3.1134214 0.2011067 -0.0039141 0.0941584 -1.7218357 0.0544815 0.0741185 -0.2331993 -1.6710922 14 O -3.1134214 -0.2011067 -0.0039141 -0.0941584 -1.7218357 -0.0544815 0.0741185 0.2331993 -1.6710922 15 O -1.9471333 0.2628104 -0.1687666 -0.0873280 -1.6489522 -0.0484109 -0.1729213 0.0343889 -2.6748803 16 O -1.9471333 -0.2628104 -0.1687666 0.0873280 -1.6489522 0.0484109 -0.1729213 -0.0343889 -2.6748803 17 Ag 1.1174693 0.4401197 -0.4777049 0.5455424 0.8016010 -0.1660139 -0.4483852 -0.1957340 0.5894179 18 Ag 1.1174693 -0.4401197 -0.4777049 -0.5455424 0.8016010 0.1660139 -0.4483852 0.1957340 0.5894179 19 Ag 0.3634924 0.1442282 -0.2812411 0.4140240 1.0067429 -0.8027681 -0.3396485 -0.5429099 1.3537982 20 Ag 0.3634924 -0.1442282 -0.2812411 -0.4140240 1.0067429 0.8027681 -0.3396485 0.5429099 1.3537982 21 Ag 1.2676842 -0.2568481 -0.0260899 -0.1442322 1.4692122 -0.2338168 -0.0102120 -0.3082269 0.4259434 22 Ag 1.2676842 0.2568481 -0.0260899 0.1442322 1.4692122 0.2338168 -0.0102120 0.3082269 0.4259434 23 Ag 1.2676842 -0.2568481 -0.0260899 -0.1442322 1.4692122 -0.2338168 -0.0102120 -0.3082269 0.4259434 24 Ag 1.2676842 0.2568481 -0.0260899 0.1442322 1.4692122 0.2338168 -0.0102120 0.3082269 0.4259434 25 Ag 0.9863434 -0.2066670 0.3967764 -0.3048713 0.9277254 -0.4176753 0.3488466 -0.3888965 1.2328588 26 Ag 0.9863434 0.2066670 0.3967764 0.3048713 0.9277254 0.4176753 0.3488466 0.3888965 1.2328588 27 Ag 0.9863434 -0.2066670 0.3967764 -0.3048713 0.9277254 -0.4176753 0.3488466 -0.3888965 1.2328588 28 Ag 0.9863434 0.2066670 0.3967764 0.3048713 0.9277254 0.4176753 0.3488466 0.3888965 1.2328588 29 Ag 1.2129250 -0.3883732 -0.5362566 -0.2408233 0.9567977 0.2329753 -0.4276344 0.3471637 1.2280780 30 Ag 1.2129250 0.3883732 -0.5362566 0.2408233 0.9567977 -0.2329753 -0.4276344 -0.3471637 1.2280780 31 Ag 1.1382650 -0.4681613 0.3888325 -0.5842353 0.8412957 -0.2576689 0.4391446 -0.2625213 0.5628649 32 Ag 1.1382650 0.4681613 0.3888325 0.5842353 0.8412957 0.2576689 0.4391446 0.2625213 0.5628649 33 Ag 1.1382650 -0.4681613 0.3888325 -0.5842353 0.8412957 -0.2576689 0.4391446 -0.2625213 0.5628649 34 Ag 1.1382650 0.4681613 0.3888325 0.5842353 0.8412957 0.2576689 0.4391446 0.2625213 0.5628649 35 Ag 1.1174693 0.4401197 -0.4777049 0.5455424 0.8016010 -0.1660139 -0.4483852 -0.1957340 0.5894179 36 Ag 1.1174693 -0.4401197 -0.4777049 -0.5455424 0.8016010 0.1660139 -0.4483852 0.1957340 0.5894179 37 Bi 3.2007556 0.2308294 0.0684261 0.5677644 4.6212447 -0.4336876 -0.0632148 -0.4056471 5.1825098 38 Bi 3.2007556 -0.2308294 0.0684261 -0.5677644 4.6212447 0.4336876 -0.0632148 0.4056471 5.1825098 39 Bi 3.2007556 0.2308294 0.0684261 0.5677644 4.6212447 -0.4336876 -0.0632148 -0.4056471 5.1825098 40 Bi 3.2007556 -0.2308294 0.0684261 -0.5677644 4.6212447 0.4336876 -0.0632148 0.4056471 5.1825098 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3738 Number of blocks in projector: 3738 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: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (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: 804 / 804 (1) 282 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (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: 804 / 804 (1) 282 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: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (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: 804 / 804 (1) 289 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3738, 3640), data: False |-- (442, 431), data: True |-- (442, 431), data: True |-- (442, 431), data: True |-- (804, 783), data: False |-- (804, 15), data: (804, 36) @ (36, 15) |-- (304, 289), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (804, 782), data: False |-- (804, 22), data: (804, 44) @ (44, 22) |-- (304, 282), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (804, 782), data: False |-- (804, 22), data: (804, 44) @ (44, 22) |-- (304, 282), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 1200 - Time: 0.636 Solver_block: 200 / 1200 - Time: 0.551 Solver_block: 300 / 1200 - Time: 0.546 Solver_block: 400 / 1200 - Time: 0.549 Solver_block: 500 / 1200 - Time: 0.549 Solver_block: 600 / 1200 - Time: 0.546 Solver_block: 700 / 1200 - Time: 0.548 Solver_block: 800 / 1200 - Time: 0.543 Solver_block: 900 / 1200 - Time: 0.547 Solver_block: 1000 / 1200 - Time: 0.546 Solver_block: 1100 / 1200 - Time: 0.543 Solver_block: 1200 / 1200 - Time: 0.546 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.846 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3738 Number of blocks in projector: 3738 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: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (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: 804 / 804 (1) 282 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (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: 804 / 804 (1) 282 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: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (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: 804 / 804 (1) 289 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3738, 3640), data: False |-- (442, 431), data: True |-- (442, 431), data: True |-- (442, 431), data: True |-- (804, 783), data: False |-- (804, 15), data: (804, 36) @ (36, 15) |-- (304, 289), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (804, 782), data: False |-- (804, 22), data: (804, 44) @ (44, 22) |-- (304, 282), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (804, 782), data: False |-- (804, 22), data: (804, 44) @ (44, 22) |-- (304, 282), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:34:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:34:10]------------------------- Compiled with OpenMP support (max 48 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 5.855437241953962 0.000000000000000 0.000000000000000 b 0.000000000000000 8.874067589999997 0.000000000000000 c -5.534961715893984 0.000000000000000 12.208122264874401 Atomic positions (fractional): 1 O 0.98441533678758 0.63788251609625 0.87155318595347 15.999 2 O 0.01558466321242 0.13788251609625 0.62844681404653 15.999 3 O 0.01558466321242 0.36211748390375 0.12844681404653 15.999 4 O 0.98441533678758 0.86211748390375 0.37155318595347 15.999 5 O 0.31361977354935 0.08787618437113 0.31150534317764 15.999 6 O 0.68638022645065 0.58787618437113 0.18849465682236 15.999 7 O 0.06813088475517 0.86658892048063 0.06113176410795 15.999 8 O 0.93186911524483 0.36658892048063 0.43886823589205 15.999 9 O 0.93186911524483 0.13341107951937 0.93886823589205 15.999 10 O 0.06813088475517 0.63341107951937 0.56113176410795 15.999 11 O 0.55343121196495 0.86789717105962 0.87811420720558 15.999 12 O 0.44656878803506 0.36789717105962 0.62188579279442 15.999 13 O 0.44656878803506 0.13210282894038 0.12188579279442 15.999 14 O 0.55343121196495 0.63210282894038 0.37811420720558 15.999 15 O 0.68638022645065 0.91212381562887 0.68849465682236 15.999 16 O 0.31361977354935 0.41212381562887 0.81150534317764 15.999 17 Ag 0.13465639842631 0.27267706991384 0.88132180159601 107.868 18 Ag 0.13465639842631 0.22732293008616 0.38132180159600 107.868 19 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 20 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 21 Ag 0.40132210028980 0.85658916203320 0.35686795248066 107.868 22 Ag 0.59867789971020 0.35658916203320 0.14313204751934 107.868 23 Ag 0.59867789971020 0.14341083796680 0.64313204751935 107.868 24 Ag 0.40132210028980 0.64341083796680 0.85686795248065 107.868 25 Ag 0.28521120552782 0.01041259763836 0.75356676955665 107.868 26 Ag 0.71478879447218 0.51041259763836 0.74643323044335 107.868 27 Ag 0.71478879447218 0.98958740236164 0.24643323044335 107.868 28 Ag 0.28521120552782 0.48958740236164 0.25356676955665 107.868 29 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 30 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 31 Ag 0.38143804699512 0.73209618246588 0.12659931626807 107.868 32 Ag 0.61856195300488 0.23209618246588 0.37340068373192 107.868 33 Ag 0.61856195300488 0.26790381753412 0.87340068373193 107.868 34 Ag 0.38143804699512 0.76790381753412 0.62659931626807 107.868 35 Ag 0.86534360157370 0.72732293008616 0.11867819840400 107.868 36 Ag 0.86534360157370 0.77267706991384 0.61867819840399 107.868 37 Bi 0.92393894671025 0.61633174003827 0.37394239092393 208.980 38 Bi 0.07606105328975 0.11633174003827 0.12605760907607 208.980 39 Bi 0.07606105328975 0.38366825996173 0.62605760907607 208.980 40 Bi 0.92393894671025 0.88366825996173 0.87394239092393 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.710874483907924 0.000000000000000 0.000000000000000 b 0.000000000000000 8.874067589999997 0.000000000000000 c -5.534961715893984 0.000000000000000 12.208122264874401 Atomic positions (fractional): 1 O 0.49220766839379 0.63788251609625 0.87155318595347 15.999 > 1 2 O 0.99220766839379 0.63788251609625 0.87155318595347 15.999 > 1 3 O 0.00779233160621 0.13788251609625 0.62844681404653 15.999 > 3 4 O 0.50779233160621 0.13788251609625 0.62844681404653 15.999 > 3 5 O 0.00779233160621 0.36211748390375 0.12844681404653 15.999 > 5 6 O 0.50779233160621 0.36211748390375 0.12844681404653 15.999 > 5 7 O 0.49220766839379 0.86211748390375 0.37155318595347 15.999 > 7 8 O 0.99220766839379 0.86211748390375 0.37155318595347 15.999 > 7 9 O 0.15680988677468 0.08787618437113 0.31150534317764 15.999 > 9 10 O 0.65680988677468 0.08787618437113 0.31150534317764 15.999 > 9 11 O 0.34319011322532 0.58787618437113 0.18849465682236 15.999 > 11 12 O 0.84319011322532 0.58787618437113 0.18849465682236 15.999 > 11 13 O 0.03406544237758 0.86658892048063 0.06113176410795 15.999 > 13 14 O 0.53406544237758 0.86658892048063 0.06113176410795 15.999 > 13 15 O 0.46593455762242 0.36658892048063 0.43886823589205 15.999 > 15 16 O 0.96593455762242 0.36658892048063 0.43886823589205 15.999 > 15 17 O 0.46593455762242 0.13341107951937 0.93886823589205 15.999 > 17 18 O 0.96593455762242 0.13341107951937 0.93886823589205 15.999 > 17 19 O 0.03406544237758 0.63341107951937 0.56113176410795 15.999 > 19 20 O 0.53406544237758 0.63341107951937 0.56113176410795 15.999 > 19 21 O 0.27671560598247 0.86789717105962 0.87811420720558 15.999 > 21 22 O 0.77671560598247 0.86789717105962 0.87811420720558 15.999 > 21 23 O 0.22328439401753 0.36789717105962 0.62188579279442 15.999 > 23 24 O 0.72328439401753 0.36789717105962 0.62188579279442 15.999 > 23 25 O 0.22328439401753 0.13210282894038 0.12188579279442 15.999 > 25 26 O 0.72328439401753 0.13210282894038 0.12188579279442 15.999 > 25 27 O 0.27671560598247 0.63210282894038 0.37811420720558 15.999 > 27 28 O 0.77671560598247 0.63210282894038 0.37811420720558 15.999 > 27 29 O 0.34319011322532 0.91212381562887 0.68849465682236 15.999 > 29 30 O 0.84319011322532 0.91212381562887 0.68849465682236 15.999 > 29 31 O 0.15680988677468 0.41212381562887 0.81150534317764 15.999 > 31 32 O 0.65680988677468 0.41212381562887 0.81150534317764 15.999 > 31 33 Ag 0.06732819921315 0.27267706991384 0.88132180159601 107.868 > 33 34 Ag 0.56732819921315 0.27267706991384 0.88132180159601 107.868 > 33 35 Ag 0.06732819921315 0.22732293008616 0.38132180159600 107.868 > 35 36 Ag 0.56732819921315 0.22732293008616 0.38132180159600 107.868 > 35 37 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 37 38 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 37 39 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 39 40 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 39 41 Ag 0.20066105014490 0.85658916203320 0.35686795248066 107.868 > 41 42 Ag 0.70066105014490 0.85658916203320 0.35686795248066 107.868 > 41 43 Ag 0.29933894985510 0.35658916203320 0.14313204751934 107.868 > 43 44 Ag 0.79933894985510 0.35658916203320 0.14313204751934 107.868 > 43 45 Ag 0.29933894985510 0.14341083796680 0.64313204751935 107.868 > 45 46 Ag 0.79933894985510 0.14341083796680 0.64313204751935 107.868 > 45 47 Ag 0.20066105014490 0.64341083796680 0.85686795248065 107.868 > 47 48 Ag 0.70066105014490 0.64341083796680 0.85686795248065 107.868 > 47 49 Ag 0.14260560276391 0.01041259763836 0.75356676955665 107.868 > 49 50 Ag 0.64260560276391 0.01041259763836 0.75356676955665 107.868 > 49 51 Ag 0.35739439723609 0.51041259763836 0.74643323044335 107.868 > 51 52 Ag 0.85739439723609 0.51041259763836 0.74643323044335 107.868 > 51 53 Ag 0.35739439723609 0.98958740236164 0.24643323044335 107.868 > 53 54 Ag 0.85739439723609 0.98958740236164 0.24643323044335 107.868 > 53 55 Ag 0.14260560276391 0.48958740236164 0.25356676955665 107.868 > 55 56 Ag 0.64260560276391 0.48958740236164 0.25356676955665 107.868 > 55 57 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 57 58 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 57 59 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 59 60 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 59 61 Ag 0.19071902349756 0.73209618246588 0.12659931626807 107.868 > 61 62 Ag 0.69071902349756 0.73209618246588 0.12659931626807 107.868 > 61 63 Ag 0.30928097650244 0.23209618246588 0.37340068373192 107.868 > 63 64 Ag 0.80928097650244 0.23209618246588 0.37340068373192 107.868 > 63 65 Ag 0.30928097650244 0.26790381753412 0.87340068373193 107.868 > 65 66 Ag 0.80928097650244 0.26790381753412 0.87340068373193 107.868 > 65 67 Ag 0.19071902349756 0.76790381753412 0.62659931626807 107.868 > 67 68 Ag 0.69071902349756 0.76790381753412 0.62659931626807 107.868 > 67 69 Ag 0.43267180078685 0.72732293008616 0.11867819840400 107.868 > 69 70 Ag 0.93267180078685 0.72732293008616 0.11867819840400 107.868 > 69 71 Ag 0.43267180078685 0.77267706991384 0.61867819840399 107.868 > 71 72 Ag 0.93267180078685 0.77267706991384 0.61867819840399 107.868 > 71 73 Bi 0.46196947335513 0.61633174003827 0.37394239092393 208.980 > 73 74 Bi 0.96196947335513 0.61633174003827 0.37394239092393 208.980 > 73 75 Bi 0.03803052664487 0.11633174003827 0.12605760907607 208.980 > 75 76 Bi 0.53803052664487 0.11633174003827 0.12605760907607 208.980 > 75 77 Bi 0.03803052664487 0.38366825996173 0.62605760907607 208.980 > 77 78 Bi 0.53803052664487 0.38366825996173 0.62605760907607 208.980 > 77 79 Bi 0.46196947335513 0.88366825996173 0.87394239092393 208.980 > 79 80 Bi 0.96196947335513 0.88366825996173 0.87394239092393 208.980 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.2822918 0.0000000 -0.0328183 0.0000000 9.0802615 0.0000000 -0.0328196 0.0000000 8.7475302 -------------------------- Born effective charges -------------------------- 1 O -1.6939010 -0.0205147 0.0984311 0.2960716 -3.3295122 0.1909007 0.0245670 -0.2538132 -1.9773442 2 O -1.6939010 0.0205147 0.0984311 -0.2960716 -3.3295122 -0.1909007 0.0245670 0.2538132 -1.9773442 3 O -1.6939010 -0.0205147 0.0984311 0.2960716 -3.3295122 0.1909007 0.0245670 -0.2538132 -1.9773442 4 O -1.6939010 0.0205147 0.0984311 -0.2960716 -3.3295122 -0.1909007 0.0245670 0.2538132 -1.9773442 5 O -1.9471333 0.2628104 -0.1687666 -0.0873280 -1.6489522 -0.0484109 -0.1729213 0.0343889 -2.6748803 6 O -1.9471333 -0.2628104 -0.1687666 0.0873280 -1.6489522 0.0484109 -0.1729213 -0.0343889 -2.6748803 7 O -1.7442705 0.3275248 0.1327584 0.0505455 -2.9425492 -0.1627923 0.1916980 -0.1480286 -2.9612162 8 O -1.7442705 -0.3275248 0.1327584 -0.0505455 -2.9425492 0.1627923 0.1916980 0.1480286 -2.9612162 9 O -1.7442705 0.3275248 0.1327584 0.0505455 -2.9425492 -0.1627923 0.1916980 -0.1480286 -2.9612162 10 O -1.7442705 -0.3275248 0.1327584 -0.0505455 -2.9425492 0.1627923 0.1916980 0.1480286 -2.9612162 11 O -3.1134214 0.2011067 -0.0039141 0.0941584 -1.7218357 0.0544815 0.0741185 -0.2331993 -1.6710922 12 O -3.1134214 -0.2011067 -0.0039141 -0.0941584 -1.7218357 -0.0544815 0.0741185 0.2331993 -1.6710922 13 O -3.1134214 0.2011067 -0.0039141 0.0941584 -1.7218357 0.0544815 0.0741185 -0.2331993 -1.6710922 14 O -3.1134214 -0.2011067 -0.0039141 -0.0941584 -1.7218357 -0.0544815 0.0741185 0.2331993 -1.6710922 15 O -1.9471333 0.2628104 -0.1687666 -0.0873280 -1.6489522 -0.0484109 -0.1729213 0.0343889 -2.6748803 16 O -1.9471333 -0.2628104 -0.1687666 0.0873280 -1.6489522 0.0484109 -0.1729213 -0.0343889 -2.6748803 17 Ag 1.1174693 0.4401197 -0.4777049 0.5455424 0.8016010 -0.1660139 -0.4483852 -0.1957340 0.5894179 18 Ag 1.1174693 -0.4401197 -0.4777049 -0.5455424 0.8016010 0.1660139 -0.4483852 0.1957340 0.5894179 19 Ag 0.3634924 0.1442282 -0.2812411 0.4140240 1.0067429 -0.8027681 -0.3396485 -0.5429099 1.3537982 20 Ag 0.3634924 -0.1442282 -0.2812411 -0.4140240 1.0067429 0.8027681 -0.3396485 0.5429099 1.3537982 21 Ag 1.2676842 -0.2568481 -0.0260899 -0.1442322 1.4692122 -0.2338168 -0.0102120 -0.3082269 0.4259434 22 Ag 1.2676842 0.2568481 -0.0260899 0.1442322 1.4692122 0.2338168 -0.0102120 0.3082269 0.4259434 23 Ag 1.2676842 -0.2568481 -0.0260899 -0.1442322 1.4692122 -0.2338168 -0.0102120 -0.3082269 0.4259434 24 Ag 1.2676842 0.2568481 -0.0260899 0.1442322 1.4692122 0.2338168 -0.0102120 0.3082269 0.4259434 25 Ag 0.9863434 -0.2066670 0.3967764 -0.3048713 0.9277254 -0.4176753 0.3488466 -0.3888965 1.2328588 26 Ag 0.9863434 0.2066670 0.3967764 0.3048713 0.9277254 0.4176753 0.3488466 0.3888965 1.2328588 27 Ag 0.9863434 -0.2066670 0.3967764 -0.3048713 0.9277254 -0.4176753 0.3488466 -0.3888965 1.2328588 28 Ag 0.9863434 0.2066670 0.3967764 0.3048713 0.9277254 0.4176753 0.3488466 0.3888965 1.2328588 29 Ag 1.2129250 -0.3883732 -0.5362566 -0.2408233 0.9567977 0.2329753 -0.4276344 0.3471637 1.2280780 30 Ag 1.2129250 0.3883732 -0.5362566 0.2408233 0.9567977 -0.2329753 -0.4276344 -0.3471637 1.2280780 31 Ag 1.1382650 -0.4681613 0.3888325 -0.5842353 0.8412957 -0.2576689 0.4391446 -0.2625213 0.5628649 32 Ag 1.1382650 0.4681613 0.3888325 0.5842353 0.8412957 0.2576689 0.4391446 0.2625213 0.5628649 33 Ag 1.1382650 -0.4681613 0.3888325 -0.5842353 0.8412957 -0.2576689 0.4391446 -0.2625213 0.5628649 34 Ag 1.1382650 0.4681613 0.3888325 0.5842353 0.8412957 0.2576689 0.4391446 0.2625213 0.5628649 35 Ag 1.1174693 0.4401197 -0.4777049 0.5455424 0.8016010 -0.1660139 -0.4483852 -0.1957340 0.5894179 36 Ag 1.1174693 -0.4401197 -0.4777049 -0.5455424 0.8016010 0.1660139 -0.4483852 0.1957340 0.5894179 37 Bi 3.2007556 0.2308294 0.0684261 0.5677644 4.6212447 -0.4336876 -0.0632148 -0.4056471 5.1825098 38 Bi 3.2007556 -0.2308294 0.0684261 -0.5677644 4.6212447 0.4336876 -0.0632148 0.4056471 5.1825098 39 Bi 3.2007556 0.2308294 0.0684261 0.5677644 4.6212447 -0.4336876 -0.0632148 -0.4056471 5.1825098 40 Bi 3.2007556 -0.2308294 0.0684261 -0.5677644 4.6212447 0.4336876 -0.0632148 0.4056471 5.1825098 ---------------------------------------------------------------------------- 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 13, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 21, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 37, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 61, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 07:34:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:34:34]------------------------- Compiled with OpenMP support (max 48 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 5.855437241953962 0.000000000000000 0.000000000000000 b 0.000000000000000 8.874067589999997 0.000000000000000 c -5.534961715893984 0.000000000000000 12.208122264874401 Atomic positions (fractional): 1 O 0.98441533678758 0.63788251609625 0.87155318595347 15.999 2 O 0.01558466321242 0.13788251609625 0.62844681404653 15.999 3 O 0.01558466321242 0.36211748390375 0.12844681404653 15.999 4 O 0.98441533678758 0.86211748390375 0.37155318595347 15.999 5 O 0.31361977354935 0.08787618437113 0.31150534317764 15.999 6 O 0.68638022645065 0.58787618437113 0.18849465682236 15.999 7 O 0.06813088475517 0.86658892048063 0.06113176410795 15.999 8 O 0.93186911524483 0.36658892048063 0.43886823589205 15.999 9 O 0.93186911524483 0.13341107951937 0.93886823589205 15.999 10 O 0.06813088475517 0.63341107951937 0.56113176410795 15.999 11 O 0.55343121196495 0.86789717105962 0.87811420720558 15.999 12 O 0.44656878803506 0.36789717105962 0.62188579279442 15.999 13 O 0.44656878803506 0.13210282894038 0.12188579279442 15.999 14 O 0.55343121196495 0.63210282894038 0.37811420720558 15.999 15 O 0.68638022645065 0.91212381562887 0.68849465682236 15.999 16 O 0.31361977354935 0.41212381562887 0.81150534317764 15.999 17 Ag 0.13465639842631 0.27267706991384 0.88132180159601 107.868 18 Ag 0.13465639842631 0.22732293008616 0.38132180159600 107.868 19 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 20 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 21 Ag 0.40132210028980 0.85658916203320 0.35686795248066 107.868 22 Ag 0.59867789971020 0.35658916203320 0.14313204751934 107.868 23 Ag 0.59867789971020 0.14341083796680 0.64313204751935 107.868 24 Ag 0.40132210028980 0.64341083796680 0.85686795248065 107.868 25 Ag 0.28521120552782 0.01041259763836 0.75356676955665 107.868 26 Ag 0.71478879447218 0.51041259763836 0.74643323044335 107.868 27 Ag 0.71478879447218 0.98958740236164 0.24643323044335 107.868 28 Ag 0.28521120552782 0.48958740236164 0.25356676955665 107.868 29 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 30 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 31 Ag 0.38143804699512 0.73209618246588 0.12659931626807 107.868 32 Ag 0.61856195300488 0.23209618246588 0.37340068373192 107.868 33 Ag 0.61856195300488 0.26790381753412 0.87340068373193 107.868 34 Ag 0.38143804699512 0.76790381753412 0.62659931626807 107.868 35 Ag 0.86534360157370 0.72732293008616 0.11867819840400 107.868 36 Ag 0.86534360157370 0.77267706991384 0.61867819840399 107.868 37 Bi 0.92393894671025 0.61633174003827 0.37394239092393 208.980 38 Bi 0.07606105328975 0.11633174003827 0.12605760907607 208.980 39 Bi 0.07606105328975 0.38366825996173 0.62605760907607 208.980 40 Bi 0.92393894671025 0.88366825996173 0.87394239092393 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.710874483907924 0.000000000000000 0.000000000000000 b 0.000000000000000 8.874067589999997 0.000000000000000 c -5.534961715893984 0.000000000000000 12.208122264874401 Atomic positions (fractional): 1 O 0.49220766839379 0.63788251609625 0.87155318595347 15.999 > 1 2 O 0.99220766839379 0.63788251609625 0.87155318595347 15.999 > 1 3 O 0.00779233160621 0.13788251609625 0.62844681404653 15.999 > 3 4 O 0.50779233160621 0.13788251609625 0.62844681404653 15.999 > 3 5 O 0.00779233160621 0.36211748390375 0.12844681404653 15.999 > 5 6 O 0.50779233160621 0.36211748390375 0.12844681404653 15.999 > 5 7 O 0.49220766839379 0.86211748390375 0.37155318595347 15.999 > 7 8 O 0.99220766839379 0.86211748390375 0.37155318595347 15.999 > 7 9 O 0.15680988677468 0.08787618437113 0.31150534317764 15.999 > 9 10 O 0.65680988677468 0.08787618437113 0.31150534317764 15.999 > 9 11 O 0.34319011322532 0.58787618437113 0.18849465682236 15.999 > 11 12 O 0.84319011322532 0.58787618437113 0.18849465682236 15.999 > 11 13 O 0.03406544237758 0.86658892048063 0.06113176410795 15.999 > 13 14 O 0.53406544237758 0.86658892048063 0.06113176410795 15.999 > 13 15 O 0.46593455762242 0.36658892048063 0.43886823589205 15.999 > 15 16 O 0.96593455762242 0.36658892048063 0.43886823589205 15.999 > 15 17 O 0.46593455762242 0.13341107951937 0.93886823589205 15.999 > 17 18 O 0.96593455762242 0.13341107951937 0.93886823589205 15.999 > 17 19 O 0.03406544237758 0.63341107951937 0.56113176410795 15.999 > 19 20 O 0.53406544237758 0.63341107951937 0.56113176410795 15.999 > 19 21 O 0.27671560598247 0.86789717105962 0.87811420720558 15.999 > 21 22 O 0.77671560598247 0.86789717105962 0.87811420720558 15.999 > 21 23 O 0.22328439401753 0.36789717105962 0.62188579279442 15.999 > 23 24 O 0.72328439401753 0.36789717105962 0.62188579279442 15.999 > 23 25 O 0.22328439401753 0.13210282894038 0.12188579279442 15.999 > 25 26 O 0.72328439401753 0.13210282894038 0.12188579279442 15.999 > 25 27 O 0.27671560598247 0.63210282894038 0.37811420720558 15.999 > 27 28 O 0.77671560598247 0.63210282894038 0.37811420720558 15.999 > 27 29 O 0.34319011322532 0.91212381562887 0.68849465682236 15.999 > 29 30 O 0.84319011322532 0.91212381562887 0.68849465682236 15.999 > 29 31 O 0.15680988677468 0.41212381562887 0.81150534317764 15.999 > 31 32 O 0.65680988677468 0.41212381562887 0.81150534317764 15.999 > 31 33 Ag 0.06732819921315 0.27267706991384 0.88132180159601 107.868 > 33 34 Ag 0.56732819921315 0.27267706991384 0.88132180159601 107.868 > 33 35 Ag 0.06732819921315 0.22732293008616 0.38132180159600 107.868 > 35 36 Ag 0.56732819921315 0.22732293008616 0.38132180159600 107.868 > 35 37 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 37 38 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 37 39 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 39 40 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 39 41 Ag 0.20066105014490 0.85658916203320 0.35686795248066 107.868 > 41 42 Ag 0.70066105014490 0.85658916203320 0.35686795248066 107.868 > 41 43 Ag 0.29933894985510 0.35658916203320 0.14313204751934 107.868 > 43 44 Ag 0.79933894985510 0.35658916203320 0.14313204751934 107.868 > 43 45 Ag 0.29933894985510 0.14341083796680 0.64313204751935 107.868 > 45 46 Ag 0.79933894985510 0.14341083796680 0.64313204751935 107.868 > 45 47 Ag 0.20066105014490 0.64341083796680 0.85686795248065 107.868 > 47 48 Ag 0.70066105014490 0.64341083796680 0.85686795248065 107.868 > 47 49 Ag 0.14260560276391 0.01041259763836 0.75356676955665 107.868 > 49 50 Ag 0.64260560276391 0.01041259763836 0.75356676955665 107.868 > 49 51 Ag 0.35739439723609 0.51041259763836 0.74643323044335 107.868 > 51 52 Ag 0.85739439723609 0.51041259763836 0.74643323044335 107.868 > 51 53 Ag 0.35739439723609 0.98958740236164 0.24643323044335 107.868 > 53 54 Ag 0.85739439723609 0.98958740236164 0.24643323044335 107.868 > 53 55 Ag 0.14260560276391 0.48958740236164 0.25356676955665 107.868 > 55 56 Ag 0.64260560276391 0.48958740236164 0.25356676955665 107.868 > 55 57 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 57 58 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 57 59 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 59 60 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 59 61 Ag 0.19071902349756 0.73209618246588 0.12659931626807 107.868 > 61 62 Ag 0.69071902349756 0.73209618246588 0.12659931626807 107.868 > 61 63 Ag 0.30928097650244 0.23209618246588 0.37340068373192 107.868 > 63 64 Ag 0.80928097650244 0.23209618246588 0.37340068373192 107.868 > 63 65 Ag 0.30928097650244 0.26790381753412 0.87340068373193 107.868 > 65 66 Ag 0.80928097650244 0.26790381753412 0.87340068373193 107.868 > 65 67 Ag 0.19071902349756 0.76790381753412 0.62659931626807 107.868 > 67 68 Ag 0.69071902349756 0.76790381753412 0.62659931626807 107.868 > 67 69 Ag 0.43267180078685 0.72732293008616 0.11867819840400 107.868 > 69 70 Ag 0.93267180078685 0.72732293008616 0.11867819840400 107.868 > 69 71 Ag 0.43267180078685 0.77267706991384 0.61867819840399 107.868 > 71 72 Ag 0.93267180078685 0.77267706991384 0.61867819840399 107.868 > 71 73 Bi 0.46196947335513 0.61633174003827 0.37394239092393 208.980 > 73 74 Bi 0.96196947335513 0.61633174003827 0.37394239092393 208.980 > 73 75 Bi 0.03803052664487 0.11633174003827 0.12605760907607 208.980 > 75 76 Bi 0.53803052664487 0.11633174003827 0.12605760907607 208.980 > 75 77 Bi 0.03803052664487 0.38366825996173 0.62605760907607 208.980 > 77 78 Bi 0.53803052664487 0.38366825996173 0.62605760907607 208.980 > 77 79 Bi 0.46196947335513 0.88366825996173 0.87394239092393 208.980 > 79 80 Bi 0.96196947335513 0.88366825996173 0.87394239092393 208.980 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.2822918 0.0000000 -0.0328183 0.0000000 9.0802615 0.0000000 -0.0328196 0.0000000 8.7475302 -------------------------- Born effective charges -------------------------- 1 O -1.6939010 -0.0205147 0.0984311 0.2960716 -3.3295122 0.1909007 0.0245670 -0.2538132 -1.9773442 2 O -1.6939010 0.0205147 0.0984311 -0.2960716 -3.3295122 -0.1909007 0.0245670 0.2538132 -1.9773442 3 O -1.6939010 -0.0205147 0.0984311 0.2960716 -3.3295122 0.1909007 0.0245670 -0.2538132 -1.9773442 4 O -1.6939010 0.0205147 0.0984311 -0.2960716 -3.3295122 -0.1909007 0.0245670 0.2538132 -1.9773442 5 O -1.9471333 0.2628104 -0.1687666 -0.0873280 -1.6489522 -0.0484109 -0.1729213 0.0343889 -2.6748803 6 O -1.9471333 -0.2628104 -0.1687666 0.0873280 -1.6489522 0.0484109 -0.1729213 -0.0343889 -2.6748803 7 O -1.7442705 0.3275248 0.1327584 0.0505455 -2.9425492 -0.1627923 0.1916980 -0.1480286 -2.9612162 8 O -1.7442705 -0.3275248 0.1327584 -0.0505455 -2.9425492 0.1627923 0.1916980 0.1480286 -2.9612162 9 O -1.7442705 0.3275248 0.1327584 0.0505455 -2.9425492 -0.1627923 0.1916980 -0.1480286 -2.9612162 10 O -1.7442705 -0.3275248 0.1327584 -0.0505455 -2.9425492 0.1627923 0.1916980 0.1480286 -2.9612162 11 O -3.1134214 0.2011067 -0.0039141 0.0941584 -1.7218357 0.0544815 0.0741185 -0.2331993 -1.6710922 12 O -3.1134214 -0.2011067 -0.0039141 -0.0941584 -1.7218357 -0.0544815 0.0741185 0.2331993 -1.6710922 13 O -3.1134214 0.2011067 -0.0039141 0.0941584 -1.7218357 0.0544815 0.0741185 -0.2331993 -1.6710922 14 O -3.1134214 -0.2011067 -0.0039141 -0.0941584 -1.7218357 -0.0544815 0.0741185 0.2331993 -1.6710922 15 O -1.9471333 0.2628104 -0.1687666 -0.0873280 -1.6489522 -0.0484109 -0.1729213 0.0343889 -2.6748803 16 O -1.9471333 -0.2628104 -0.1687666 0.0873280 -1.6489522 0.0484109 -0.1729213 -0.0343889 -2.6748803 17 Ag 1.1174693 0.4401197 -0.4777049 0.5455424 0.8016010 -0.1660139 -0.4483852 -0.1957340 0.5894179 18 Ag 1.1174693 -0.4401197 -0.4777049 -0.5455424 0.8016010 0.1660139 -0.4483852 0.1957340 0.5894179 19 Ag 0.3634924 0.1442282 -0.2812411 0.4140240 1.0067429 -0.8027681 -0.3396485 -0.5429099 1.3537982 20 Ag 0.3634924 -0.1442282 -0.2812411 -0.4140240 1.0067429 0.8027681 -0.3396485 0.5429099 1.3537982 21 Ag 1.2676842 -0.2568481 -0.0260899 -0.1442322 1.4692122 -0.2338168 -0.0102120 -0.3082269 0.4259434 22 Ag 1.2676842 0.2568481 -0.0260899 0.1442322 1.4692122 0.2338168 -0.0102120 0.3082269 0.4259434 23 Ag 1.2676842 -0.2568481 -0.0260899 -0.1442322 1.4692122 -0.2338168 -0.0102120 -0.3082269 0.4259434 24 Ag 1.2676842 0.2568481 -0.0260899 0.1442322 1.4692122 0.2338168 -0.0102120 0.3082269 0.4259434 25 Ag 0.9863434 -0.2066670 0.3967764 -0.3048713 0.9277254 -0.4176753 0.3488466 -0.3888965 1.2328588 26 Ag 0.9863434 0.2066670 0.3967764 0.3048713 0.9277254 0.4176753 0.3488466 0.3888965 1.2328588 27 Ag 0.9863434 -0.2066670 0.3967764 -0.3048713 0.9277254 -0.4176753 0.3488466 -0.3888965 1.2328588 28 Ag 0.9863434 0.2066670 0.3967764 0.3048713 0.9277254 0.4176753 0.3488466 0.3888965 1.2328588 29 Ag 1.2129250 -0.3883732 -0.5362566 -0.2408233 0.9567977 0.2329753 -0.4276344 0.3471637 1.2280780 30 Ag 1.2129250 0.3883732 -0.5362566 0.2408233 0.9567977 -0.2329753 -0.4276344 -0.3471637 1.2280780 31 Ag 1.1382650 -0.4681613 0.3888325 -0.5842353 0.8412957 -0.2576689 0.4391446 -0.2625213 0.5628649 32 Ag 1.1382650 0.4681613 0.3888325 0.5842353 0.8412957 0.2576689 0.4391446 0.2625213 0.5628649 33 Ag 1.1382650 -0.4681613 0.3888325 -0.5842353 0.8412957 -0.2576689 0.4391446 -0.2625213 0.5628649 34 Ag 1.1382650 0.4681613 0.3888325 0.5842353 0.8412957 0.2576689 0.4391446 0.2625213 0.5628649 35 Ag 1.1174693 0.4401197 -0.4777049 0.5455424 0.8016010 -0.1660139 -0.4483852 -0.1957340 0.5894179 36 Ag 1.1174693 -0.4401197 -0.4777049 -0.5455424 0.8016010 0.1660139 -0.4483852 0.1957340 0.5894179 37 Bi 3.2007556 0.2308294 0.0684261 0.5677644 4.6212447 -0.4336876 -0.0632148 -0.4056471 5.1825098 38 Bi 3.2007556 -0.2308294 0.0684261 -0.5677644 4.6212447 0.4336876 -0.0632148 0.4056471 5.1825098 39 Bi 3.2007556 0.2308294 0.0684261 0.5677644 4.6212447 -0.4336876 -0.0632148 -0.4056471 5.1825098 40 Bi 3.2007556 -0.2308294 0.0684261 -0.5677644 4.6212447 0.4336876 -0.0632148 0.4056471 5.1825098 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 4 ] 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: 0.48, Number of G-points: 299, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/76) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.712 ( 0.000 0.000 0.000) 0.000 0.838 ( 0.000 0.000 0.000) 0.000 0.839 ( 0.000 0.000 0.000) 0.000 1.019 ( 0.000 0.000 0.000) 0.000 1.149 ( 0.000 0.000 0.000) 0.000 1.226 ( 0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.406 ( 0.000 0.000 0.000) 0.000 1.439 ( 0.000 0.000 0.000) 0.000 1.459 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.578 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.692 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.391 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 9.191 ( 0.000 0.000 0.000) 0.000 9.547 ( 0.000 0.000 0.000) 0.000 10.044 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.369 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 0.000) 0.000 10.707 ( 0.000 0.000 0.000) 0.000 10.722 ( 0.000 0.000 0.000) 0.000 11.043 ( 0.000 0.000 0.000) 0.000 11.075 ( 0.000 0.000 0.000) 0.000 11.494 ( 0.000 0.000 0.000) 0.000 11.563 ( 0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.057 ( 0.000 0.000 0.000) 0.000 12.223 ( 0.000 0.000 0.000) 0.000 12.261 ( 0.000 0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 12.665 ( 0.000 0.000 0.000) 0.000 12.864 ( 0.000 0.000 0.000) 0.000 13.073 ( 0.000 0.000 0.000) 0.000 13.146 ( 0.000 0.000 0.000) 0.000 13.371 ( 0.000 0.000 0.000) 0.000 13.397 ( 0.000 0.000 0.000) 0.000 13.636 ( 0.000 0.000 0.000) 0.000 13.796 ( 0.000 0.000 0.000) 0.000 13.799 ( 0.000 0.000 0.000) 0.000 13.856 ( 0.000 0.000 0.000) 0.000 13.877 ( 0.000 0.000 0.000) 0.000 14.076 ( 0.000 0.000 0.000) 0.000 14.168 ( 0.000 0.000 0.000) 0.000 14.194 ( 0.000 0.000 0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.432 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 0.000) 0.000 14.777 ( 0.000 0.000 0.000) 0.000 15.219 ( 0.000 0.000 0.000) 0.000 15.595 ( 0.000 0.000 0.000) 0.000 15.683 ( 0.000 0.000 0.000) 0.000 15.869 ( 0.000 0.000 0.000) 0.000 16.448 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/76) ======================= q-point: ( 0.11 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( 12.644 0.000 1.468) 12.729 0.339 ( 14.392 0.000 6.961) 15.987 0.648 ( 27.181 0.000 8.023) 28.340 0.835 ( 4.470 0.000 -5.112) 6.790 0.861 ( 10.475 0.000 -3.965) 11.200 0.890 ( 7.645 0.000 2.238) 7.966 1.086 ( 2.943 0.000 3.170) 4.326 1.173 ( 3.041 0.000 -0.237) 3.051 1.214 ( -0.492 0.000 0.704) 0.859 1.255 ( 1.564 0.000 -0.167) 1.573 1.286 ( 2.074 0.000 1.828) 2.765 1.347 ( 6.775 0.000 -0.745) 6.815 1.417 ( 0.467 0.000 -0.028) 0.468 1.476 ( 3.218 0.000 -0.141) 3.222 1.483 ( -2.941 0.000 -1.777) 3.436 1.511 ( 4.165 0.000 2.523) 4.869 1.594 ( -0.000 0.000 -0.026) 0.026 1.604 ( 1.648 0.000 1.705) 2.371 1.681 ( -2.267 0.000 -3.840) 4.459 1.689 ( -0.577 0.000 0.908) 1.075 1.717 ( 2.833 0.000 -3.186) 4.264 1.733 ( -0.472 0.000 5.213) 5.234 1.758 ( 2.616 0.000 -3.485) 4.357 1.817 ( -0.296 0.000 -2.310) 2.329 1.835 ( 2.372 0.000 0.967) 2.561 1.981 ( -0.135 0.000 3.166) 3.169 2.052 ( -2.637 0.000 -1.090) 2.853 2.100 ( 0.601 0.000 -4.573) 4.612 2.106 ( -2.191 0.000 -4.510) 5.014 2.114 ( 0.242 0.000 -0.826) 0.861 2.190 ( -0.020 0.000 -1.781) 1.782 2.196 ( -0.435 0.000 -3.206) 3.236 2.207 ( 0.014 0.000 4.041) 4.041 2.227 ( -3.683 0.000 2.194) 4.287 2.312 ( -2.663 0.000 -1.407) 3.012 2.372 ( -0.522 0.000 -2.149) 2.212 2.428 ( 0.476 0.000 1.489) 1.563 2.481 ( 0.848 0.000 1.743) 1.938 2.486 ( -0.934 0.000 2.941) 3.086 2.529 ( -3.128 0.000 0.624) 3.190 2.563 ( -1.355 0.000 -0.408) 1.415 2.578 ( -1.605 0.000 2.349) 2.845 2.622 ( -1.443 0.000 -2.915) 3.253 2.656 ( -1.216 0.000 -1.328) 1.800 2.705 ( -0.024 0.000 -2.201) 2.201 2.727 ( 1.589 0.000 3.914) 4.225 2.810 ( 1.734 0.000 2.555) 3.088 2.825 ( 1.120 0.000 1.265) 1.690 2.905 ( -3.515 0.000 -4.794) 5.945 2.907 ( -0.542 0.000 -4.033) 4.069 3.025 ( -0.876 0.000 -1.596) 1.821 3.025 ( -0.552 0.000 5.051) 5.081 3.095 ( 0.177 0.000 -0.184) 0.255 3.245 ( 2.877 0.000 -2.719) 3.958 3.279 ( 4.106 0.000 0.065) 4.106 3.351 ( 1.744 0.000 1.234) 2.137 3.355 ( -3.233 0.000 1.994) 3.798 3.443 ( -1.255 0.000 -1.060) 1.643 3.635 ( -2.228 0.000 -1.643) 2.768 3.657 ( 0.108 0.000 -1.382) 1.387 3.810 ( -1.165 0.000 1.429) 1.843 3.860 ( 0.459 0.000 0.193) 0.498 3.980 ( 3.641 0.000 -3.901) 5.336 4.075 ( 1.039 0.000 7.825) 7.894 4.291 ( -1.508 0.000 -1.738) 2.301 4.374 ( 1.806 0.000 -3.129) 3.613 4.794 ( -2.479 0.000 0.192) 2.487 4.863 ( 1.010 0.000 -3.119) 3.279 5.349 ( -5.224 0.000 3.195) 6.124 5.404 ( -2.499 0.000 0.398) 2.531 5.563 ( -6.293 0.000 -1.504) 6.470 5.674 ( -4.642 0.000 1.640) 4.924 6.960 ( 2.364 0.000 1.840) 2.996 7.223 ( 1.042 0.000 -0.429) 1.127 8.020 ( 2.140 0.000 -13.433) 13.602 8.052 ( 0.424 0.000 1.779) 1.829 8.425 ( 1.575 0.000 4.205) 4.490 8.675 ( -0.930 0.000 0.062) 0.932 9.227 ( 0.503 0.000 6.473) 6.493 9.648 ( -11.328 0.000 13.567) 17.674 10.056 ( -0.118 0.000 2.828) 2.831 10.086 ( 0.066 0.000 -0.035) 0.075 10.483 ( -4.242 0.000 6.595) 7.841 10.513 ( -3.562 0.000 -2.569) 4.392 10.726 ( 1.075 0.000 1.408) 1.771 10.760 ( 2.030 0.000 3.168) 3.762 11.018 ( -2.605 0.000 -5.983) 6.525 11.057 ( 0.221 0.000 2.322) 2.333 11.504 ( 2.328 0.000 0.192) 2.336 11.511 ( -0.062 0.000 -5.721) 5.722 11.858 ( 6.273 0.000 -1.027) 6.356 12.116 ( 2.525 0.000 4.724) 5.357 12.131 ( 7.895 0.000 6.181) 10.027 12.246 ( -0.410 0.000 3.984) 4.005 12.260 ( -0.245 0.000 -0.088) 0.260 12.318 ( 0.543 0.000 2.473) 2.532 12.440 ( 7.717 0.000 -4.531) 8.949 12.638 ( -0.488 0.000 -4.852) 4.876 12.908 ( 1.520 0.000 3.722) 4.020 13.059 ( -0.231 0.000 -3.880) 3.887 13.299 ( -7.377 0.000 12.328) 14.367 13.336 ( -4.091 0.000 3.307) 5.260 13.345 ( -2.434 0.000 -4.741) 5.329 13.615 ( -1.791 0.000 -2.326) 2.936 13.704 ( -5.554 0.000 -0.498) 5.577 13.720 ( -4.993 0.000 -2.745) 5.697 13.931 ( 2.664 0.000 -0.464) 2.704 14.074 ( 1.370 0.000 -1.388) 1.950 14.105 ( 1.260 0.000 5.279) 5.427 14.228 ( 3.296 0.000 0.121) 3.298 14.355 ( 2.071 0.000 0.453) 2.120 14.422 ( -7.549 0.000 0.487) 7.564 14.462 ( 2.803 0.000 1.349) 3.111 14.744 ( 3.061 0.000 12.097) 12.479 14.890 ( 7.046 0.000 -22.977) 24.033 15.244 ( 1.720 0.000 1.854) 2.529 15.545 ( -4.763 0.000 -1.075) 4.883 15.737 ( -2.885 0.000 -10.480) 10.870 15.987 ( 0.267 0.000 9.794) 9.797 16.383 ( -4.853 0.000 -3.767) 6.144 ======================= Grid point 2 (3/76) ======================= q-point: ( 0.22 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 12.178 0.000 2.063) 12.352 0.662 ( 13.718 0.000 5.966) 14.960 0.866 ( 8.200 0.000 -8.345) 11.699 0.879 ( 2.290 0.000 -10.791) 11.031 1.096 ( 4.840 0.000 -0.344) 4.852 1.129 ( 6.112 0.000 2.510) 6.607 1.175 ( 2.469 0.000 3.698) 4.447 1.270 ( 7.515 0.000 -1.018) 7.583 1.284 ( 11.340 0.000 6.142) 12.896 1.343 ( 7.285 0.000 1.700) 7.481 1.344 ( 2.729 0.000 3.747) 4.635 1.362 ( -3.332 0.000 -0.807) 3.428 1.497 ( 5.202 0.000 1.361) 5.377 1.505 ( 8.821 0.000 -2.548) 9.181 1.530 ( 2.413 0.000 -2.476) 3.457 1.609 ( 0.348 0.000 2.075) 2.104 1.625 ( 0.976 0.000 -0.189) 0.994 1.629 ( 3.297 0.000 0.897) 3.417 1.653 ( 1.650 0.000 1.163) 2.019 1.684 ( 0.598 0.000 0.627) 0.866 1.748 ( 2.800 0.000 -1.410) 3.135 1.771 ( 1.006 0.000 1.582) 1.874 1.798 ( 2.174 0.000 -3.288) 3.942 1.816 ( 4.419 0.000 1.923) 4.819 1.886 ( 3.941 0.000 -2.485) 4.659 1.978 ( -3.338 0.000 -0.858) 3.446 2.014 ( -0.122 0.000 -6.795) 6.796 2.026 ( 0.587 0.000 6.106) 6.134 2.079 ( 0.035 0.000 -3.174) 3.174 2.116 ( -0.112 0.000 0.928) 0.935 2.160 ( -1.496 0.000 -1.217) 1.929 2.170 ( -0.087 0.000 -0.493) 0.501 2.211 ( -2.157 0.000 2.571) 3.356 2.244 ( 0.817 0.000 2.546) 2.674 2.287 ( 0.092 0.000 1.246) 1.250 2.336 ( -0.969 0.000 -2.454) 2.639 2.404 ( -3.527 0.000 1.389) 3.791 2.433 ( -4.822 0.000 -0.784) 4.886 2.455 ( -1.103 0.000 -3.214) 3.398 2.533 ( 0.138 0.000 1.868) 1.873 2.545 ( -3.150 0.000 0.076) 3.151 2.567 ( 0.480 0.000 0.777) 0.913 2.579 ( -1.526 0.000 0.592) 1.637 2.625 ( -0.760 0.000 0.902) 1.179 2.693 ( 0.333 0.000 -1.660) 1.694 2.759 ( -2.227 0.000 3.663) 4.286 2.804 ( -2.584 0.000 -2.985) 3.948 2.816 ( -2.930 0.000 -1.543) 3.311 2.838 ( -1.853 0.000 1.256) 2.239 2.876 ( 1.324 0.000 -2.224) 2.588 3.000 ( 1.194 0.000 -0.863) 1.473 3.011 ( -4.677 0.000 2.854) 5.479 3.121 ( 1.893 0.000 1.182) 2.231 3.272 ( 1.826 0.000 -3.135) 3.628 3.296 ( -3.622 0.000 0.794) 3.708 3.366 ( 4.528 0.000 -1.694) 4.835 3.414 ( 3.363 0.000 1.758) 3.795 3.416 ( -0.442 0.000 -1.200) 1.279 3.581 ( -1.989 0.000 0.685) 2.104 3.636 ( -1.276 0.000 -0.673) 1.442 3.804 ( -0.910 0.000 1.676) 1.907 3.873 ( 0.489 0.000 0.908) 1.032 4.005 ( 2.596 0.000 -5.526) 6.106 4.173 ( 1.034 0.000 9.236) 9.294 4.237 ( -0.671 0.000 -5.269) 5.312 4.383 ( 1.817 0.000 -3.154) 3.640 4.714 ( -6.793 0.000 1.811) 7.030 4.852 ( -0.108 0.000 -1.403) 1.407 5.266 ( -6.257 0.000 4.283) 7.582 5.358 ( -2.379 0.000 0.525) 2.436 5.387 ( -9.562 0.000 -3.112) 10.056 5.578 ( -5.209 0.000 -1.217) 5.349 7.036 ( 3.246 0.000 2.463) 4.074 7.244 ( 1.882 0.000 -1.119) 2.189 7.936 ( -0.754 0.000 -7.805) 7.842 8.078 ( -0.489 0.000 3.742) 3.774 8.514 ( 2.701 0.000 6.216) 6.778 8.631 ( -2.914 0.000 -1.786) 3.418 9.302 ( -0.387 0.000 9.343) 9.351 9.519 ( -9.010 0.000 1.985) 9.226 10.083 ( -0.704 0.000 0.189) 0.728 10.096 ( 1.090 0.000 4.977) 5.095 10.391 ( -4.729 0.000 -5.032) 6.905 10.459 ( -1.557 0.000 0.667) 1.694 10.756 ( -1.249 0.000 4.705) 4.868 10.835 ( 2.729 0.000 3.147) 4.165 10.894 ( -1.868 0.000 -11.794) 11.941 11.084 ( 0.418 0.000 2.023) 2.066 11.514 ( 4.413 0.000 -2.980) 5.325 11.622 ( 7.641 0.000 4.790) 9.018 11.983 ( 8.893 0.000 -3.369) 9.510 12.194 ( 1.554 0.000 3.240) 3.593 12.246 ( -1.027 0.000 -0.625) 1.202 12.263 ( 0.264 0.000 2.306) 2.321 12.366 ( 2.524 0.000 -0.528) 2.578 12.371 ( 10.204 0.000 6.600) 12.152 12.565 ( 7.271 0.000 -1.226) 7.373 12.567 ( -0.617 0.000 -8.922) 8.943 12.940 ( -3.550 0.000 5.134) 6.242 12.999 ( -1.142 0.000 -4.913) 5.044 13.259 ( -1.588 0.000 -0.403) 1.638 13.272 ( -5.477 0.000 7.621) 9.385 13.293 ( -3.201 0.000 0.296) 3.215 13.514 ( -7.424 0.000 1.613) 7.597 13.607 ( -3.213 0.000 -4.285) 5.355 13.646 ( -0.248 0.000 0.651) 0.697 13.956 ( 2.074 0.000 -3.303) 3.901 14.114 ( 3.627 0.000 -1.331) 3.863 14.155 ( -0.512 0.000 3.663) 3.699 14.244 ( -0.787 0.000 -5.711) 5.765 14.367 ( 2.011 0.000 2.689) 3.358 14.384 ( -0.210 0.000 2.487) 2.496 14.557 ( 5.644 0.000 0.804) 5.701 14.804 ( -0.866 0.000 -9.580) 9.619 14.892 ( 3.513 0.000 6.959) 7.795 15.304 ( 1.530 0.000 2.817) 3.206 15.407 ( -7.528 0.000 -1.545) 7.685 15.596 ( -3.448 0.000 -7.610) 8.355 16.052 ( -1.960 0.000 9.155) 9.363 16.217 ( -7.630 0.000 -5.953) 9.677 ======================= Grid point 3 (4/76) ======================= q-point: ( 0.33 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 10.430 0.000 1.720) 10.571 0.792 ( 0.103 0.000 -11.455) 11.455 0.950 ( 6.956 0.000 -7.131) 9.962 0.960 ( 12.052 0.000 4.796) 12.971 1.130 ( 1.738 0.000 -0.207) 1.751 1.183 ( -2.325 0.000 2.577) 3.471 1.185 ( 0.535 0.000 1.412) 1.510 1.266 ( -1.417 0.000 -2.402) 2.789 1.384 ( 1.231 0.000 2.909) 3.158 1.404 ( 2.255 0.000 -0.361) 2.283 1.486 ( 5.302 0.000 2.548) 5.882 1.510 ( 0.175 0.000 -1.346) 1.357 1.541 ( 3.560 0.000 0.475) 3.592 1.587 ( -3.811 0.000 1.347) 4.042 1.620 ( 4.477 0.000 -2.440) 5.099 1.643 ( 3.854 0.000 3.375) 5.123 1.671 ( 6.121 0.000 -2.269) 6.528 1.702 ( 1.974 0.000 -0.890) 2.166 1.713 ( 3.431 0.000 0.102) 3.432 1.734 ( 2.134 0.000 -0.248) 2.148 1.795 ( 6.236 0.000 0.826) 6.290 1.807 ( 1.852 0.000 1.463) 2.360 1.880 ( 5.406 0.000 0.607) 5.440 1.910 ( -2.681 0.000 -0.503) 2.728 1.928 ( 4.259 0.000 2.407) 4.892 1.962 ( 6.165 0.000 -3.263) 6.975 2.030 ( 5.859 0.000 -2.153) 6.242 2.068 ( 1.878 0.000 -1.378) 2.330 2.089 ( 0.974 0.000 4.131) 4.244 2.115 ( -1.713 0.000 0.691) 1.847 2.141 ( 0.784 0.000 1.901) 2.056 2.167 ( 0.037 0.000 0.085) 0.093 2.196 ( -1.251 0.000 1.796) 2.189 2.284 ( -2.133 0.000 -1.548) 2.635 2.289 ( 1.606 0.000 0.821) 1.804 2.303 ( -0.595 0.000 0.218) 0.634 2.348 ( -1.971 0.000 -0.435) 2.019 2.356 ( -2.964 0.000 2.309) 3.757 2.425 ( 1.639 0.000 -1.841) 2.465 2.478 ( -2.490 0.000 -2.160) 3.296 2.523 ( -1.414 0.000 -0.500) 1.500 2.551 ( -2.101 0.000 0.457) 2.150 2.556 ( -1.830 0.000 0.960) 2.067 2.656 ( -3.155 0.000 -1.791) 3.628 2.666 ( 1.110 0.000 4.122) 4.269 2.716 ( -3.440 0.000 -0.009) 3.440 2.749 ( -1.366 0.000 -1.618) 2.118 2.753 ( -0.950 0.000 -0.871) 1.288 2.806 ( -1.633 0.000 1.015) 1.923 2.880 ( 0.594 0.000 -1.810) 1.905 2.910 ( -6.599 0.000 0.085) 6.600 3.054 ( 2.850 0.000 1.248) 3.112 3.175 ( 2.734 0.000 0.531) 2.785 3.238 ( -1.407 0.000 0.480) 1.486 3.292 ( 1.707 0.000 0.363) 1.746 3.380 ( -1.762 0.000 -2.586) 3.129 3.388 ( 0.374 0.000 -5.493) 5.505 3.477 ( 0.757 0.000 3.263) 3.350 3.603 ( 2.047 0.000 3.305) 3.887 3.611 ( -1.187 0.000 1.092) 1.613 3.798 ( -0.984 0.000 0.811) 1.275 3.899 ( 0.858 0.000 2.233) 2.392 3.965 ( -1.204 0.000 -7.177) 7.277 4.186 ( 1.419 0.000 -8.070) 8.194 4.259 ( 0.470 0.000 7.034) 7.050 4.384 ( 0.186 0.000 -0.599) 0.627 4.589 ( -8.051 0.000 3.592) 8.816 4.829 ( -1.816 0.000 -0.364) 1.852 5.177 ( -8.360 0.000 -3.697) 9.141 5.202 ( -4.104 0.000 3.947) 5.694 5.331 ( -0.616 0.000 -0.419) 0.745 5.477 ( -3.518 0.000 -1.959) 4.027 7.112 ( 2.595 0.000 1.798) 3.157 7.272 ( 2.072 0.000 -1.300) 2.447 7.871 ( -0.513 0.000 -4.231) 4.262 8.090 ( -1.719 0.000 3.803) 4.174 8.549 ( -3.038 0.000 -2.840) 4.159 8.620 ( 2.627 0.000 5.648) 6.229 9.357 ( -1.339 0.000 7.022) 7.148 9.357 ( -7.708 0.000 -1.097) 7.786 10.059 ( -1.959 0.000 0.484) 2.018 10.182 ( 2.089 0.000 7.171) 7.469 10.289 ( -1.492 0.000 -4.014) 4.282 10.434 ( -0.329 0.000 -2.501) 2.523 10.706 ( -7.703 0.000 2.657) 8.148 10.809 ( 3.898 0.000 -10.029) 10.760 10.912 ( 2.840 0.000 2.348) 3.685 11.098 ( -0.694 0.000 1.346) 1.514 11.612 ( 6.523 0.000 0.400) 6.536 11.839 ( 7.809 0.000 8.737) 11.718 12.112 ( 7.241 0.000 -6.620) 9.812 12.212 ( -1.634 0.000 0.338) 1.669 12.223 ( 1.803 0.000 -2.624) 3.184 12.308 ( 1.047 0.000 3.712) 3.857 12.391 ( 2.708 0.000 -3.810) 4.674 12.487 ( 2.397 0.000 -9.917) 10.203 12.591 ( 6.380 0.000 5.339) 8.319 12.695 ( 7.388 0.000 -1.509) 7.540 12.864 ( -7.742 0.000 4.237) 8.825 12.950 ( -1.227 0.000 -1.568) 1.991 13.189 ( -5.596 0.000 -2.802) 6.259 13.208 ( -2.865 0.000 1.418) 3.197 13.305 ( -0.829 0.000 9.305) 9.342 13.386 ( -8.734 0.000 3.855) 9.547 13.533 ( -0.454 0.000 -4.821) 4.842 13.701 ( 3.990 0.000 1.489) 4.259 13.963 ( 1.555 0.000 -2.991) 3.371 14.091 ( -4.105 0.000 -4.043) 5.762 14.181 ( 4.841 0.000 -1.425) 5.046 14.250 ( 2.981 0.000 0.725) 3.068 14.393 ( -1.346 0.000 2.974) 3.264 14.433 ( 2.422 0.000 -1.285) 2.742 14.673 ( 5.722 0.000 0.418) 5.738 14.718 ( -1.326 0.000 -3.098) 3.369 14.984 ( 0.317 0.000 5.074) 5.084 15.189 ( -9.765 0.000 -2.153) 9.999 15.406 ( 2.868 0.000 3.775) 4.741 15.488 ( -1.913 0.000 -4.937) 5.295 16.013 ( -7.894 0.000 -5.985) 9.906 16.074 ( -2.617 0.000 6.435) 6.947 ======================= Grid point 4 (5/76) ======================= q-point: ( 0.44 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -0.190 0.000 -4.966) 4.970 0.896 ( 4.174 0.000 -0.000) 4.174 1.008 ( 3.857 0.000 -2.074) 4.379 1.143 ( -2.709 0.000 1.036) 2.900 1.168 ( 1.578 0.000 -0.395) 1.626 1.169 ( 3.791 0.000 0.924) 3.902 1.216 ( 3.148 0.000 1.969) 3.714 1.246 ( 0.232 0.000 0.735) 0.771 1.398 ( -0.858 0.000 -2.986) 3.107 1.424 ( 0.468 0.000 2.058) 2.111 1.512 ( 0.440 0.000 -0.162) 0.469 1.539 ( -0.889 0.000 2.827) 2.963 1.563 ( 0.141 0.000 0.553) 0.571 1.564 ( -0.445 0.000 -0.409) 0.605 1.639 ( 0.755 0.000 -2.509) 2.620 1.694 ( 0.915 0.000 -0.088) 0.919 1.714 ( -0.515 0.000 0.007) 0.515 1.725 ( 0.025 0.000 -2.053) 2.053 1.729 ( 0.505 0.000 0.202) 0.544 1.734 ( 1.674 0.000 0.182) 1.684 1.865 ( 1.546 0.000 2.291) 2.764 1.881 ( 0.872 0.000 -1.477) 1.715 1.934 ( 1.408 0.000 0.628) 1.542 1.953 ( -1.798 0.000 -0.128) 1.803 1.974 ( 5.261 0.000 0.509) 5.286 2.046 ( 4.543 0.000 -1.634) 4.828 2.074 ( 1.355 0.000 -0.930) 1.643 2.094 ( -1.485 0.000 1.378) 2.026 2.141 ( 0.821 0.000 -0.467) 0.945 2.167 ( 0.323 0.000 1.388) 1.425 2.171 ( 2.667 0.000 1.192) 2.921 2.171 ( -1.144 0.000 2.238) 2.514 2.217 ( 0.649 0.000 -1.633) 1.757 2.234 ( 6.100 0.000 -2.158) 6.470 2.254 ( -3.340 0.000 -0.507) 3.379 2.309 ( -4.232 0.000 3.155) 5.279 2.359 ( 1.935 0.000 3.768) 4.236 2.377 ( 2.655 0.000 0.791) 2.770 2.429 ( 0.065 0.000 -4.177) 4.178 2.461 ( 1.546 0.000 -0.163) 1.555 2.475 ( -3.262 0.000 1.453) 3.571 2.533 ( -0.517 0.000 -1.701) 1.778 2.533 ( 1.207 0.000 0.125) 1.213 2.590 ( -1.265 0.000 -0.596) 1.398 2.615 ( -5.108 0.000 -0.244) 5.114 2.692 ( -1.834 0.000 1.059) 2.118 2.719 ( -0.795 0.000 -0.688) 1.051 2.780 ( -1.642 0.000 0.821) 1.836 2.786 ( -2.324 0.000 1.688) 2.873 2.814 ( 2.006 0.000 0.439) 2.054 2.876 ( 1.027 0.000 -2.753) 2.939 3.087 ( 0.460 0.000 -0.353) 0.580 3.225 ( 3.132 0.000 -1.692) 3.560 3.252 ( 1.921 0.000 -0.739) 2.058 3.301 ( -4.545 0.000 -1.805) 4.890 3.317 ( -1.822 0.000 -0.311) 1.848 3.372 ( 1.988 0.000 4.031) 4.495 3.507 ( -0.384 0.000 2.695) 2.722 3.602 ( -0.169 0.000 -0.443) 0.474 3.683 ( 3.549 0.000 2.223) 4.187 3.784 ( -0.611 0.000 0.180) 0.637 3.837 ( -4.616 0.000 -5.795) 7.409 3.947 ( 1.286 0.000 1.322) 1.844 4.150 ( 0.767 0.000 -4.623) 4.686 4.308 ( 0.135 0.000 2.888) 2.891 4.399 ( 1.232 0.000 1.327) 1.811 4.488 ( -4.605 0.000 1.459) 4.831 4.778 ( -2.235 0.000 -0.564) 2.305 5.045 ( -2.683 0.000 -1.513) 3.080 5.177 ( -1.243 0.000 1.672) 2.083 5.322 ( 0.027 0.000 -0.438) 0.439 5.420 ( -1.058 0.000 -0.929) 1.408 7.158 ( 0.993 0.000 0.612) 1.166 7.295 ( 0.971 0.000 -0.570) 1.126 7.843 ( -0.097 0.000 -1.249) 1.253 8.084 ( -1.057 0.000 1.544) 1.871 8.488 ( -1.140 0.000 -1.361) 1.776 8.693 ( 1.080 0.000 2.337) 2.574 9.238 ( -3.255 0.000 -0.797) 3.351 9.376 ( -0.664 0.000 2.389) 2.480 10.030 ( -1.077 0.000 0.324) 1.125 10.256 ( 0.034 0.000 -1.404) 1.404 10.278 ( 1.429 0.000 5.591) 5.771 10.400 ( -0.362 0.000 -3.561) 3.580 10.601 ( -2.798 0.000 -1.129) 3.017 10.810 ( 1.077 0.000 -2.089) 2.350 10.976 ( 1.928 0.000 1.019) 2.180 11.083 ( -1.270 0.000 0.314) 1.309 11.737 ( 4.352 0.000 1.592) 4.634 12.013 ( 2.471 0.000 6.071) 6.554 12.080 ( -1.898 0.000 -4.657) 5.028 12.227 ( 0.892 0.000 0.113) 0.899 12.231 ( 1.279 0.000 -2.432) 2.748 12.364 ( 3.741 0.000 -0.617) 3.791 12.408 ( -0.112 0.000 -0.098) 0.149 12.530 ( 9.254 0.000 -7.377) 11.834 12.662 ( -5.542 0.000 6.080) 8.227 12.766 ( 1.838 0.000 -4.336) 4.710 12.768 ( -2.633 0.000 1.275) 2.925 12.937 ( 0.081 0.000 1.789) 1.791 13.102 ( -1.177 0.000 0.388) 1.239 13.188 ( -0.713 0.000 1.268) 1.454 13.255 ( -6.040 0.000 0.655) 6.076 13.360 ( -0.070 0.000 4.191) 4.191 13.506 ( 0.494 0.000 -1.951) 2.013 13.774 ( 1.890 0.000 0.679) 2.008 13.964 ( 0.506 0.000 -1.153) 1.259 13.995 ( -2.042 0.000 -2.675) 3.365 14.269 ( 4.524 0.000 -0.614) 4.565 14.327 ( 3.416 0.000 2.314) 4.126 14.380 ( -2.131 0.000 1.568) 2.646 14.409 ( -2.067 0.000 -3.662) 4.205 14.716 ( 1.155 0.000 0.263) 1.184 14.767 ( 3.480 0.000 -0.119) 3.482 14.996 ( -1.438 0.000 1.905) 2.387 15.011 ( -6.047 0.000 -0.907) 6.114 15.442 ( -0.123 0.000 -1.719) 1.723 15.493 ( 2.485 0.000 2.589) 3.588 15.843 ( -4.531 0.000 -3.404) 5.667 16.073 ( -1.237 0.000 2.334) 2.642 ======================= Grid point 9 (6/76) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.220 ( 0.000 10.619 0.000) 10.619 0.274 ( 0.000 14.049 0.000) 14.049 0.693 ( 0.000 32.090 0.000) 32.090 0.744 ( 0.000 4.160 0.000) 4.160 0.810 ( 0.000 -0.943 0.000) 0.943 0.882 ( 0.000 3.346 0.000) 3.346 0.991 ( 0.000 -2.921 0.000) 2.921 1.129 ( 0.000 -7.376 0.000) 7.376 1.175 ( 0.000 0.615 0.000) 0.615 1.198 ( 0.000 -4.641 0.000) 4.641 1.259 ( 0.000 3.123 0.000) 3.123 1.265 ( 0.000 -4.058 0.000) 4.058 1.418 ( 0.000 -0.927 0.000) 0.927 1.431 ( 0.000 -0.605 0.000) 0.605 1.441 ( 0.000 -9.250 0.000) 9.250 1.460 ( 0.000 0.625 0.000) 0.625 1.520 ( 0.000 -2.688 0.000) 2.688 1.600 ( 0.000 0.610 0.000) 0.610 1.662 ( 0.000 -5.169 0.000) 5.169 1.664 ( 0.000 -2.242 0.000) 2.242 1.690 ( 0.000 -0.652 0.000) 0.652 1.721 ( 0.000 1.549 0.000) 1.549 1.787 ( 0.000 0.074 0.000) 0.074 1.793 ( 0.000 2.267 0.000) 2.267 1.831 ( 0.000 -1.947 0.000) 1.947 1.970 ( 0.000 -1.627 0.000) 1.627 2.019 ( 0.000 -8.712 0.000) 8.712 2.028 ( 0.000 1.221 0.000) 1.221 2.140 ( 0.000 2.335 0.000) 2.335 2.141 ( 0.000 1.097 0.000) 1.097 2.180 ( 0.000 -0.384 0.000) 0.384 2.211 ( 0.000 0.179 0.000) 0.179 2.211 ( 0.000 1.111 0.000) 1.111 2.309 ( 0.000 -2.252 0.000) 2.252 2.315 ( 0.000 -3.145 0.000) 3.145 2.376 ( 0.000 -0.743 0.000) 0.743 2.475 ( 0.000 3.787 0.000) 3.787 2.521 ( 0.000 4.405 0.000) 4.405 2.540 ( 0.000 -2.288 0.000) 2.288 2.543 ( 0.000 5.536 0.000) 5.536 2.564 ( 0.000 -0.165 0.000) 0.165 2.577 ( 0.000 -3.266 0.000) 3.266 2.637 ( 0.000 1.245 0.000) 1.245 2.644 ( 0.000 -0.191 0.000) 0.191 2.685 ( 0.000 -2.420 0.000) 2.420 2.742 ( 0.000 2.968 0.000) 2.968 2.778 ( 0.000 4.280 0.000) 4.280 2.814 ( 0.000 1.203 0.000) 1.203 2.871 ( 0.000 -4.838 0.000) 4.838 2.966 ( 0.000 0.179 0.000) 0.179 3.062 ( 0.000 -0.315 0.000) 0.315 3.063 ( 0.000 1.923 0.000) 1.923 3.112 ( 0.000 5.315 0.000) 5.315 3.149 ( 0.000 -6.458 0.000) 6.458 3.216 ( 0.000 2.184 0.000) 2.184 3.330 ( 0.000 0.409 0.000) 0.409 3.341 ( 0.000 0.993 0.000) 0.993 3.502 ( 0.000 0.152 0.000) 0.152 3.583 ( 0.000 -11.334 0.000) 11.334 3.690 ( 0.000 2.418 0.000) 2.418 3.819 ( 0.000 4.555 0.000) 4.555 3.859 ( 0.000 0.499 0.000) 0.499 3.872 ( 0.000 -2.720 0.000) 2.720 3.973 ( 0.000 -0.579 0.000) 0.579 4.311 ( 0.000 -6.327 0.000) 6.327 4.416 ( 0.000 2.870 0.000) 2.870 4.817 ( 0.000 -2.931 0.000) 2.931 4.868 ( 0.000 3.478 0.000) 3.478 5.349 ( 0.000 -5.769 0.000) 5.769 5.459 ( 0.000 3.080 0.000) 3.080 5.649 ( 0.000 -2.104 0.000) 2.104 5.679 ( 0.000 2.852 0.000) 2.852 6.934 ( 0.000 0.735 0.000) 0.735 7.170 ( 0.000 -4.206 0.000) 4.206 7.969 ( 0.000 -3.699 0.000) 3.699 8.165 ( 0.000 -7.692 0.000) 7.692 8.515 ( 0.000 10.659 0.000) 10.659 8.742 ( 0.000 5.013 0.000) 5.013 9.343 ( 0.000 -0.701 0.000) 0.701 9.516 ( 0.000 -3.167 0.000) 3.167 10.077 ( 0.000 -0.442 0.000) 0.442 10.083 ( 0.000 3.436 0.000) 3.436 10.417 ( 0.000 5.073 0.000) 5.073 10.701 ( 0.000 -2.085 0.000) 2.085 10.766 ( 0.000 4.860 0.000) 4.860 10.771 ( 0.000 4.352 0.000) 4.352 11.022 ( 0.000 -1.961 0.000) 1.961 11.072 ( 0.000 -5.148 0.000) 5.148 11.514 ( 0.000 2.207 0.000) 2.207 11.588 ( 0.000 1.715 0.000) 1.715 11.677 ( 0.000 -5.865 0.000) 5.865 11.916 ( 0.000 -6.598 0.000) 6.598 12.176 ( 0.000 -3.116 0.000) 3.116 12.242 ( 0.000 2.941 0.000) 2.941 12.305 ( 0.000 6.799 0.000) 6.799 12.385 ( 0.000 0.154 0.000) 0.154 12.609 ( 0.000 8.884 0.000) 8.884 12.647 ( 0.000 3.025 0.000) 3.025 12.884 ( 0.000 1.752 0.000) 1.752 13.071 ( 0.000 -8.237 0.000) 8.237 13.109 ( 0.000 -2.077 0.000) 2.077 13.321 ( 0.000 -4.408 0.000) 4.408 13.474 ( 0.000 7.718 0.000) 7.718 13.597 ( 0.000 -5.572 0.000) 5.572 13.715 ( 0.000 -9.669 0.000) 9.669 13.851 ( 0.000 2.173 0.000) 2.173 13.864 ( 0.000 4.751 0.000) 4.751 13.931 ( 0.000 1.661 0.000) 1.661 14.075 ( 0.000 1.420 0.000) 1.420 14.208 ( 0.000 1.359 0.000) 1.359 14.254 ( 0.000 7.284 0.000) 7.284 14.353 ( 0.000 -5.887 0.000) 5.887 14.422 ( 0.000 -1.716 0.000) 1.716 14.714 ( 0.000 9.725 0.000) 9.725 14.789 ( 0.000 1.889 0.000) 1.889 15.366 ( 0.000 -10.885 0.000) 10.885 15.628 ( 0.000 -5.499 0.000) 5.499 15.647 ( 0.000 -15.933 0.000) 15.933 16.460 ( 0.000 12.479 0.000) 12.479 16.513 ( 0.000 6.115 0.000) 6.115 ======================= Grid point 10 (7/76) ======================= q-point: ( 0.11 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 9.196 6.503 -1.215) 11.328 0.360 ( 10.847 6.686 3.780) 13.291 0.736 ( 2.959 -2.477 -6.844) 7.857 0.865 ( 6.896 -1.044 -4.393) 8.243 0.913 ( 10.696 10.455 5.984) 16.110 1.001 ( 11.950 12.237 3.322) 17.424 1.056 ( 3.218 -2.757 3.151) 5.280 1.136 ( 1.021 -4.090 2.823) 5.074 1.214 ( 3.769 0.435 -0.534) 3.832 1.243 ( 4.010 -1.841 -0.204) 4.417 1.279 ( 2.420 1.226 0.136) 2.717 1.301 ( 3.967 -4.405 1.310) 6.071 1.403 ( -0.782 -3.319 -2.375) 4.156 1.444 ( 1.074 -0.395 -0.584) 1.284 1.478 ( 3.873 -4.596 -0.103) 6.011 1.501 ( -0.317 -1.089 0.637) 1.300 1.516 ( 3.305 -3.514 1.762) 5.136 1.596 ( -0.316 -0.237 -0.802) 0.893 1.638 ( -0.888 -2.771 -1.143) 3.126 1.672 ( 1.184 -2.913 -0.908) 3.273 1.695 ( 0.415 -0.339 0.408) 0.673 1.737 ( 1.115 0.369 -0.931) 1.499 1.764 ( 0.183 1.517 0.741) 1.699 1.810 ( 0.140 -1.248 -2.296) 2.616 1.858 ( 2.191 -1.218 3.296) 4.141 1.957 ( -1.627 -1.569 1.740) 2.853 1.982 ( -1.526 -0.676 -1.976) 2.586 2.049 ( -0.158 -2.855 -0.738) 2.953 2.131 ( -0.020 1.595 -1.767) 2.380 2.141 ( 0.257 0.840 0.102) 0.884 2.171 ( -0.245 -1.084 -0.713) 1.320 2.187 ( 0.188 -0.365 -1.589) 1.641 2.232 ( 0.335 2.071 0.570) 2.174 2.282 ( -1.223 -1.067 0.041) 1.623 2.331 ( -1.285 0.491 1.591) 2.104 2.351 ( -1.003 -0.013 -0.541) 1.139 2.439 ( -1.234 2.994 -2.920) 4.360 2.479 ( -4.975 -1.141 -0.063) 5.105 2.503 ( -3.054 -0.936 0.811) 3.295 2.549 ( -1.080 1.938 0.596) 2.297 2.565 ( -1.559 -0.518 2.000) 2.588 2.579 ( -1.541 -3.103 -2.194) 4.101 2.594 ( 1.137 3.006 1.549) 3.568 2.652 ( -0.855 -0.890 -0.768) 1.454 2.700 ( 0.953 -0.451 -0.056) 1.056 2.738 ( 0.287 -0.169 1.145) 1.192 2.788 ( -0.143 0.389 -0.224) 0.471 2.827 ( -0.703 -0.472 -0.705) 1.102 2.843 ( -0.180 -0.734 -0.494) 0.903 2.992 ( -2.536 3.671 -3.414) 5.618 3.007 ( -1.925 -1.571 4.067) 4.766 3.087 ( 1.690 -0.060 -0.991) 1.960 3.109 ( 0.517 5.829 -1.441) 6.026 3.202 ( 4.625 -5.440 1.380) 7.273 3.228 ( 1.430 -0.293 -0.572) 1.568 3.331 ( 0.006 -0.393 0.784) 0.877 3.373 ( 0.597 1.067 2.083) 2.415 3.479 ( -2.121 2.072 -1.132) 3.174 3.569 ( -1.668 -9.916 1.565) 10.176 3.710 ( 2.629 3.918 -2.293) 5.246 3.789 ( 0.309 0.045 -2.563) 2.582 3.862 ( -0.378 -4.805 -0.357) 4.833 3.895 ( 1.960 4.110 0.025) 4.554 4.017 ( 1.400 -2.726 3.915) 4.972 4.338 ( 2.411 -4.380 0.472) 5.021 4.403 ( -0.160 3.653 -1.904) 4.123 4.781 ( -2.712 -2.809 -0.632) 3.956 4.881 ( 0.453 3.896 -0.852) 4.014 5.270 ( -6.169 -6.015 1.802) 8.803 5.422 ( -3.866 3.100 0.041) 4.956 5.614 ( -5.018 1.787 -0.362) 5.339 5.640 ( -3.324 -1.840 0.167) 3.803 6.959 ( 1.978 0.408 1.654) 2.611 7.196 ( 1.970 -3.645 -0.554) 4.180 7.963 ( 1.075 -3.076 -4.256) 5.360 8.089 ( -2.133 -1.811 -4.019) 4.898 8.536 ( 0.548 10.078 3.618) 10.722 8.739 ( -0.143 5.887 0.499) 5.909 9.276 ( -3.350 2.585 4.010) 5.829 9.563 ( -4.988 -6.501 9.661) 12.668 10.069 ( 0.256 0.397 -1.202) 1.292 10.093 ( -0.695 1.270 2.211) 2.643 10.431 ( 0.655 0.956 -0.606) 1.308 10.577 ( -5.838 2.440 -5.335) 8.276 10.782 ( 2.312 2.872 0.831) 3.779 10.848 ( -0.101 7.992 8.619) 11.755 10.975 ( -1.597 -4.947 -7.593) 9.202 11.062 ( -0.784 0.547 4.015) 4.127 11.486 ( 0.338 0.642 -2.469) 2.573 11.547 ( -0.117 0.362 -2.962) 2.986 11.802 ( 8.425 -3.374 1.935) 9.279 11.977 ( 2.878 -8.652 0.933) 9.166 12.155 ( 0.732 -0.242 7.348) 7.388 12.219 ( -1.248 2.220 1.533) 2.973 12.328 ( 2.606 6.782 -0.864) 7.316 12.413 ( 4.083 -0.926 -2.555) 4.905 12.607 ( 1.619 13.355 -1.890) 13.585 12.626 ( 0.469 1.697 -3.155) 3.613 12.905 ( 0.606 -0.048 1.800) 1.900 13.073 ( -0.244 0.232 -4.209) 4.223 13.178 ( -3.086 -10.774 10.753) 15.531 13.305 ( -3.422 -3.537 2.125) 5.361 13.428 ( -1.752 7.625 -2.834) 8.321 13.576 ( -1.656 -4.834 -0.721) 5.161 13.652 ( -4.731 -2.968 0.544) 5.612 13.769 ( -3.556 2.861 -4.043) 6.097 13.893 ( 3.022 -1.682 -1.131) 3.639 14.069 ( 4.126 -4.393 3.679) 7.061 14.112 ( 0.730 3.006 0.168) 3.098 14.204 ( 1.609 0.459 -0.019) 1.673 14.312 ( -0.057 -3.237 3.680) 4.901 14.352 ( 2.485 1.293 -0.086) 2.802 14.476 ( 4.416 -2.677 -1.602) 5.406 14.754 ( 5.603 -0.972 -7.532) 9.437 14.840 ( 1.665 7.046 9.980) 12.330 15.268 ( -5.228 -7.527 -3.924) 9.969 15.520 ( -7.289 -6.481 -1.543) 9.875 15.626 ( -0.197 -8.330 -6.415) 10.516 16.261 ( -9.413 19.607 2.342) 21.875 16.451 ( -4.727 6.325 -3.583) 8.671 ======================= Grid point 11 (8/76) ======================= q-point: ( 0.22 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 10.217 0.810 2.192) 10.481 0.637 ( 12.779 0.103 4.839) 13.665 0.749 ( 6.143 -4.437 -10.225) 12.726 0.958 ( 7.482 1.660 -5.260) 9.295 1.091 ( -0.268 -5.501 1.227) 5.643 1.111 ( 2.819 -1.237 2.822) 4.177 1.119 ( 2.689 -2.673 1.255) 3.994 1.292 ( 2.951 -1.504 -1.712) 3.728 1.317 ( 2.532 0.247 -0.438) 2.582 1.333 ( 1.176 -2.291 1.076) 2.791 1.357 ( 5.526 0.798 -0.701) 5.627 1.380 ( 10.848 5.052 5.701) 13.255 1.457 ( 7.705 -2.768 -3.248) 8.808 1.478 ( 4.989 -0.680 1.814) 5.352 1.494 ( 0.489 -5.667 0.074) 5.689 1.555 ( 3.228 -3.497 -0.033) 4.759 1.595 ( 1.619 -0.647 0.539) 1.825 1.619 ( 3.988 -0.921 1.047) 4.224 1.650 ( 2.214 -0.727 2.843) 3.676 1.683 ( 1.029 -1.431 -0.051) 1.763 1.726 ( 2.011 -2.447 -1.891) 3.689 1.746 ( 2.087 0.877 -1.284) 2.603 1.783 ( 0.177 -0.349 0.939) 1.017 1.832 ( 4.874 0.365 -0.177) 4.891 1.918 ( -0.296 -1.620 -0.050) 1.647 1.945 ( 0.657 2.412 0.367) 2.527 1.954 ( 0.032 -1.031 2.896) 3.075 2.032 ( 0.893 -2.020 -1.416) 2.623 2.105 ( -0.722 1.846 -2.391) 3.106 2.134 ( -1.116 1.242 -0.724) 1.820 2.179 ( 0.839 -0.996 0.802) 1.530 2.185 ( 0.741 -0.651 -1.265) 1.604 2.237 ( -0.638 1.620 1.573) 2.347 2.270 ( -2.184 2.535 1.539) 3.683 2.281 ( -1.973 1.963 -0.452) 2.820 2.347 ( -0.826 0.431 -0.073) 0.934 2.376 ( -4.549 -4.601 0.105) 6.471 2.400 ( -0.792 -0.643 -1.286) 1.642 2.443 ( -3.085 -0.965 -0.249) 3.242 2.502 ( -3.455 -1.645 -0.792) 3.908 2.531 ( -1.946 -1.105 -0.439) 2.281 2.557 ( -0.611 -0.996 0.318) 1.211 2.619 ( 0.649 1.056 -0.418) 1.308 2.666 ( 0.279 2.626 3.065) 4.046 2.684 ( -1.050 -1.474 -1.280) 2.216 2.729 ( -2.234 -0.801 0.024) 2.374 2.767 ( -1.022 -1.389 -1.861) 2.537 2.813 ( -1.484 0.105 1.487) 2.104 2.821 ( -1.554 -1.146 -0.530) 2.002 2.935 ( -0.679 3.672 -0.776) 3.814 2.952 ( -4.774 -1.817 1.383) 5.292 3.119 ( 1.666 3.534 0.891) 4.008 3.128 ( 2.037 3.796 -0.846) 4.390 3.228 ( 0.702 -3.432 -1.229) 3.712 3.306 ( -2.027 1.281 1.223) 2.691 3.334 ( 4.530 -3.298 0.071) 5.603 3.392 ( -0.224 0.116 -0.230) 0.341 3.417 ( -1.874 0.745 -1.918) 2.783 3.576 ( 1.488 -2.737 1.809) 3.602 3.730 ( 1.115 5.813 -1.498) 6.106 3.795 ( 1.132 -1.536 -0.217) 1.921 3.851 ( 0.570 -7.499 -2.960) 8.082 3.929 ( 1.585 6.328 -0.203) 6.527 4.070 ( 0.293 -5.494 4.122) 6.874 4.386 ( 0.765 5.298 -2.871) 6.074 4.396 ( 3.155 -0.360 -0.356) 3.195 4.708 ( -4.978 -2.711 -0.000) 5.668 4.856 ( -2.886 4.104 1.214) 5.162 5.176 ( -5.787 -8.696 2.072) 10.649 5.327 ( -5.928 2.707 0.373) 6.527 5.486 ( -6.209 4.058 -2.280) 7.760 5.557 ( -4.884 -2.366 -0.346) 5.438 7.025 ( 2.829 -0.526 2.216) 3.632 7.223 ( 1.678 -2.864 -1.315) 3.570 7.932 ( 0.176 -0.283 -4.905) 4.917 8.052 ( -0.706 -2.707 0.224) 2.806 8.594 ( 1.064 8.485 5.751) 10.306 8.728 ( -1.636 8.119 0.041) 8.282 9.285 ( -2.101 -1.508 8.614) 8.994 9.494 ( -6.810 -2.787 2.060) 7.641 10.075 ( 0.527 -1.165 0.783) 1.499 10.094 ( -1.175 0.446 2.710) 2.988 10.424 ( -0.119 -1.789 -2.294) 2.912 10.437 ( -3.711 4.368 -4.614) 7.358 10.830 ( 4.860 0.410 -8.778) 10.042 10.837 ( -7.317 0.591 4.700) 8.716 10.927 ( 1.123 7.895 1.054) 8.044 11.097 ( -0.080 1.316 4.379) 4.573 11.501 ( 4.025 -0.671 -3.103) 5.126 11.603 ( 5.171 -2.825 4.737) 7.560 11.974 ( 9.857 -0.299 -3.574) 10.490 12.033 ( 0.748 -10.205 4.189) 11.057 12.207 ( 0.420 -0.108 -2.055) 2.100 12.261 ( 3.185 -1.180 2.398) 4.158 12.408 ( 5.173 3.553 2.750) 6.851 12.508 ( 5.652 -2.529 -0.533) 6.215 12.602 ( 3.117 5.211 -4.210) 7.389 12.618 ( 1.130 10.819 -4.718) 11.857 12.901 ( -3.775 -2.104 2.026) 4.773 13.028 ( -0.705 1.523 -2.974) 3.415 13.185 ( -2.850 -5.863 9.251) 11.317 13.240 ( -3.399 -2.059 -0.011) 3.974 13.369 ( -3.999 5.592 -1.571) 7.052 13.527 ( -2.129 -4.238 -2.314) 5.277 13.561 ( -6.783 3.152 4.378) 8.667 13.712 ( 0.607 3.097 -1.398) 3.451 13.930 ( 2.140 -2.084 -2.180) 3.698 14.084 ( -2.652 -4.503 -2.930) 5.991 14.117 ( 1.074 -2.510 0.771) 2.837 14.252 ( 3.228 0.440 -1.620) 3.639 14.336 ( 1.338 1.698 3.499) 4.113 14.436 ( 4.033 2.607 0.970) 4.899 14.546 ( 4.271 -2.092 -0.014) 4.756 14.747 ( 0.016 -3.113 -5.456) 6.282 14.960 ( 1.429 5.662 5.175) 7.803 15.209 ( 0.350 -9.159 2.214) 9.429 15.361 ( -7.608 -5.296 -1.806) 9.444 15.537 ( -3.009 -5.485 -6.104) 8.741 16.177 ( -5.244 10.893 5.887) 13.447 16.294 ( -7.249 6.969 -4.865) 11.171 ======================= Grid point 12 (9/76) ======================= q-point: ( 0.33 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 6.565 -4.697 -1.389) 8.191 0.759 ( 6.455 0.643 -5.181) 8.302 0.929 ( 11.443 -2.160 4.112) 12.350 1.028 ( 4.351 6.052 -6.392) 9.819 1.089 ( 0.373 -5.336 -0.200) 5.353 1.135 ( -0.045 -2.589 2.224) 3.414 1.181 ( 1.194 -1.850 1.637) 2.744 1.248 ( -1.061 -2.029 -1.927) 2.993 1.355 ( 0.592 -4.032 3.522) 5.386 1.384 ( 1.626 -2.085 -1.561) 3.070 1.433 ( 1.916 -3.799 -0.243) 4.261 1.472 ( 0.367 -6.169 -2.593) 6.702 1.529 ( 2.502 -1.636 -0.258) 3.001 1.553 ( 3.509 -3.948 -2.407) 5.805 1.584 ( 0.532 0.266 1.787) 1.884 1.623 ( 3.471 -1.749 1.392) 4.129 1.651 ( 3.622 -0.444 0.791) 3.734 1.712 ( 4.160 -2.887 0.760) 5.120 1.717 ( 1.596 1.940 1.262) 2.812 1.755 ( 3.019 -4.377 0.883) 5.389 1.765 ( 2.294 1.795 -1.244) 3.168 1.790 ( 0.406 -1.124 0.000) 1.195 1.814 ( 7.926 -2.447 4.406) 9.393 1.909 ( 1.065 0.854 -1.382) 1.943 1.943 ( 3.320 -0.774 -0.781) 3.497 1.977 ( 5.748 1.977 2.307) 6.501 2.006 ( 1.103 -0.918 0.363) 1.480 2.058 ( 0.475 -2.520 0.947) 2.734 2.099 ( 0.554 2.634 -1.793) 3.234 2.106 ( 1.533 -1.210 0.313) 1.978 2.181 ( -0.779 0.218 -0.454) 0.928 2.202 ( -0.097 0.255 1.300) 1.329 2.207 ( -2.385 1.777 -1.434) 3.302 2.238 ( -0.330 0.875 0.579) 1.100 2.273 ( -0.785 -3.123 1.905) 3.741 2.284 ( -2.351 -0.483 -0.834) 2.541 2.340 ( -1.728 -1.051 -0.275) 2.041 2.386 ( -0.792 -0.362 0.094) 0.876 2.426 ( 1.482 -0.196 1.356) 2.018 2.429 ( -2.645 -2.493 -1.318) 3.867 2.486 ( -1.429 -0.331 -1.289) 1.952 2.546 ( -1.259 -0.371 -0.155) 1.322 2.597 ( -2.408 -3.674 -0.469) 4.417 2.627 ( -3.954 -1.343 -1.892) 4.585 2.676 ( -2.506 -0.010 1.228) 2.791 2.691 ( -0.709 -0.661 0.703) 1.198 2.749 ( -1.768 2.190 1.010) 2.990 2.769 ( 0.765 0.952 -2.188) 2.506 2.802 ( -0.587 -0.333 -0.139) 0.689 2.878 ( -3.372 -0.010 0.637) 3.432 2.962 ( 1.054 5.530 3.123) 6.438 3.124 ( -1.026 4.747 0.009) 4.857 3.180 ( 2.619 0.903 -0.067) 2.771 3.228 ( 0.803 -3.200 -2.048) 3.884 3.301 ( 0.286 1.541 2.704) 3.126 3.348 ( -2.654 -0.617 -1.239) 2.993 3.369 ( 0.836 -5.117 2.232) 5.645 3.413 ( 1.780 2.797 -4.665) 5.723 3.643 ( 3.198 3.717 1.099) 5.025 3.741 ( 0.647 3.437 0.829) 3.594 3.810 ( -0.563 1.269 0.962) 1.689 3.829 ( 1.495 -6.252 -5.343) 8.359 3.941 ( -0.384 4.124 -0.695) 4.200 4.103 ( -0.044 -5.917 3.969) 7.125 4.378 ( 1.479 6.852 -4.274) 8.210 4.445 ( 2.428 3.487 -0.524) 4.281 4.584 ( -8.232 -0.757 1.705) 8.441 4.823 ( -2.594 1.119 3.662) 4.626 5.068 ( -6.122 -7.280 -0.660) 9.534 5.219 ( -5.241 0.354 -0.111) 5.254 5.381 ( -2.541 3.307 -1.529) 4.441 5.470 ( -3.304 -0.978 -0.728) 3.521 7.093 ( 2.369 -1.572 1.546) 3.236 7.237 ( 1.030 -3.589 -1.369) 3.976 7.901 ( 0.274 2.309 -2.850) 3.678 8.042 ( -1.276 -3.716 1.093) 4.078 8.651 ( -0.631 8.685 3.044) 9.225 8.696 ( -0.389 7.845 0.730) 7.889 9.315 ( -2.972 -2.113 6.213) 7.204 9.377 ( -4.885 -0.276 0.738) 4.948 10.065 ( -1.831 0.629 0.731) 2.070 10.131 ( 1.366 -3.511 4.233) 5.667 10.346 ( -1.837 4.089 -3.111) 5.457 10.419 ( 1.402 -1.068 -2.859) 3.358 10.702 ( -4.830 -1.209 -4.536) 6.735 10.845 ( 1.297 3.331 -3.472) 4.983 10.972 ( 1.735 6.506 2.565) 7.205 11.116 ( -1.497 1.827 3.020) 3.834 11.592 ( 6.307 -2.050 0.661) 6.665 11.773 ( 5.607 -6.497 7.565) 11.440 12.026 ( -1.891 -8.363 0.479) 8.587 12.137 ( 8.102 -0.149 -3.813) 8.956 12.202 ( 2.396 -2.137 -4.799) 5.774 12.309 ( 1.334 -1.194 -0.494) 1.857 12.526 ( 2.880 4.219 -6.274) 8.090 12.550 ( 6.041 -0.563 3.098) 6.812 12.593 ( 2.507 9.613 -6.761) 12.017 12.738 ( 6.935 3.171 3.918) 8.573 12.832 ( -4.455 -1.493 2.829) 5.484 12.973 ( -2.720 1.956 -1.855) 3.830 13.181 ( -5.358 -1.133 5.043) 7.445 13.238 ( -2.053 -1.137 1.933) 3.040 13.274 ( -1.056 2.796 2.950) 4.199 13.423 ( -7.024 0.354 0.851) 7.084 13.497 ( -1.692 0.000 -1.520) 2.275 13.737 ( -0.293 1.577 0.251) 1.624 13.929 ( 1.064 -5.030 -3.480) 6.208 14.020 ( -0.165 -2.215 -1.819) 2.871 14.162 ( 3.087 -2.837 0.489) 4.221 14.284 ( 1.906 0.116 -2.419) 3.081 14.399 ( 2.029 4.778 2.287) 5.672 14.497 ( 1.484 3.202 -0.769) 3.612 14.642 ( 4.757 -3.144 1.502) 5.896 14.699 ( 0.090 -0.747 -2.366) 2.483 14.981 ( -1.539 -0.880 2.090) 2.741 15.151 ( -8.318 -4.153 -1.708) 9.453 15.325 ( 2.334 -6.785 4.673) 8.563 15.430 ( -2.810 -5.197 -4.264) 7.286 16.088 ( -6.476 7.062 -3.529) 10.211 16.162 ( -4.223 7.373 3.570) 9.216 ======================= Grid point 13 (10/76) ======================= q-point: ( 0.44 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 1.083 1.757 -3.129) 3.748 0.888 ( 4.503 -3.392 0.434) 5.654 1.025 ( 0.857 3.929 -2.469) 4.719 1.095 ( 0.202 -4.647 0.106) 4.653 1.110 ( 2.054 -5.593 0.872) 6.022 1.168 ( 3.034 -1.000 0.227) 3.203 1.208 ( 0.348 -1.427 1.782) 2.310 1.242 ( 1.129 -0.132 0.092) 1.141 1.380 ( 1.043 -4.583 -1.743) 5.013 1.396 ( -0.092 -4.111 1.779) 4.481 1.445 ( -0.581 -4.769 0.414) 4.822 1.469 ( 2.195 -4.134 -0.754) 4.741 1.521 ( -2.545 -1.700 0.915) 3.194 1.557 ( -1.548 -4.472 -2.002) 5.139 1.596 ( 0.513 0.884 -0.190) 1.039 1.676 ( 1.837 -1.149 1.812) 2.825 1.708 ( 0.430 -0.723 -0.874) 1.213 1.725 ( 1.729 -0.675 -0.978) 2.098 1.756 ( -0.834 -0.552 -0.606) 1.169 1.762 ( 0.162 -1.386 -0.683) 1.554 1.796 ( 1.958 -2.395 2.743) 4.134 1.858 ( 2.092 -3.676 0.628) 4.276 1.917 ( -0.544 2.060 -0.192) 2.139 1.957 ( 2.003 0.024 1.137) 2.304 2.003 ( 2.047 0.837 -1.120) 2.480 2.036 ( 4.690 -1.437 1.379) 5.095 2.049 ( 0.658 -1.724 -1.798) 2.577 2.082 ( -0.267 -1.839 -0.446) 1.911 2.131 ( 1.016 -3.941 1.276) 4.266 2.144 ( 3.836 -0.772 0.712) 3.977 2.157 ( -0.500 0.400 1.067) 1.244 2.173 ( -1.517 -1.361 0.864) 2.213 2.200 ( -1.424 -0.248 -0.804) 1.654 2.216 ( -1.400 -0.009 -0.193) 1.413 2.246 ( 0.817 -0.939 -0.319) 1.285 2.301 ( 0.943 -1.042 0.142) 1.413 2.328 ( -0.001 -2.226 1.702) 2.802 2.365 ( -3.799 -0.881 -0.735) 3.969 2.396 ( 1.230 -4.106 0.165) 4.290 2.440 ( 0.160 -0.202 -1.026) 1.058 2.488 ( -0.113 -3.034 -1.763) 3.511 2.494 ( -0.607 -2.818 -0.662) 2.957 2.556 ( -1.515 2.185 -0.583) 2.722 2.562 ( -1.323 -0.901 1.146) 1.969 2.641 ( -1.581 -1.364 -0.620) 2.178 2.671 ( -0.042 0.371 2.007) 2.041 2.719 ( -1.625 4.107 0.125) 4.419 2.745 ( -2.819 -0.615 -1.415) 3.213 2.806 ( 0.856 0.048 -0.289) 0.905 2.891 ( 2.803 4.201 1.165) 5.183 2.988 ( -0.317 7.953 1.285) 8.062 3.104 ( -0.643 1.527 -0.238) 1.674 3.202 ( 0.141 -3.177 -0.065) 3.181 3.244 ( 2.079 -1.163 -2.030) 3.130 3.287 ( -2.741 -0.393 0.225) 2.778 3.315 ( -0.076 1.330 2.205) 2.576 3.370 ( -0.606 -0.055 -4.379) 4.421 3.474 ( 3.370 0.992 4.994) 6.106 3.688 ( 1.249 6.246 -0.351) 6.379 3.739 ( -0.721 -2.847 -2.774) 4.039 3.787 ( -0.698 6.526 0.180) 6.566 3.859 ( 2.910 2.340 0.444) 3.760 3.907 ( -1.201 -2.900 -1.808) 3.623 4.122 ( -1.637 -1.710 2.565) 3.490 4.380 ( 3.471 4.732 -4.304) 7.278 4.453 ( -5.735 0.315 3.986) 6.992 4.487 ( 0.519 4.389 -0.933) 4.517 4.801 ( -2.105 1.925 1.481) 3.214 4.975 ( -2.109 -5.292 -0.465) 5.715 5.142 ( -2.178 -3.287 -0.366) 3.960 5.351 ( -0.318 2.096 -0.382) 2.154 5.425 ( -0.981 0.100 -0.362) 1.051 7.136 ( 1.098 -2.008 0.558) 2.356 7.239 ( 0.161 -4.987 -0.626) 5.029 7.892 ( 0.280 3.850 -0.782) 3.939 8.026 ( -0.814 -4.083 0.403) 4.183 8.630 ( -0.880 12.153 -0.354) 12.190 8.723 ( 0.389 3.405 1.549) 3.761 9.261 ( -2.466 2.042 0.099) 3.203 9.361 ( -0.754 -1.643 2.301) 2.926 10.039 ( -1.000 1.098 0.329) 1.521 10.195 ( 1.470 -3.862 2.820) 5.003 10.300 ( -1.072 0.242 -1.433) 1.806 10.424 ( 0.903 1.663 -1.627) 2.496 10.604 ( -1.938 0.724 -2.003) 2.879 10.834 ( 0.176 2.035 -1.462) 2.513 11.027 ( 2.085 5.321 0.822) 5.773 11.096 ( -2.045 1.614 1.130) 2.840 11.727 ( 5.393 -1.317 2.561) 6.114 11.879 ( -0.117 -12.090 0.252) 12.094 11.984 ( -2.045 -6.206 3.023) 7.199 12.175 ( 1.880 -3.259 -5.542) 6.699 12.230 ( 1.711 0.347 -1.138) 2.083 12.340 ( 2.016 -3.216 0.102) 3.797 12.544 ( 2.193 4.503 -2.940) 5.808 12.619 ( 5.201 8.667 -4.827) 11.201 12.648 ( 0.124 2.726 3.496) 4.435 12.792 ( -1.172 2.805 2.506) 3.939 12.836 ( 0.479 5.181 -1.749) 5.489 12.935 ( -0.222 0.054 1.548) 1.565 13.100 ( -3.690 0.238 2.304) 4.357 13.213 ( -1.442 1.806 0.037) 2.311 13.268 ( -2.983 1.937 0.735) 3.632 13.392 ( 0.988 1.750 5.386) 5.749 13.471 ( 1.103 -2.962 -2.285) 3.900 13.651 ( -5.001 -9.738 -2.909) 11.327 13.955 ( 2.283 -1.263 -1.266) 2.900 14.028 ( 0.655 2.109 0.461) 2.256 14.230 ( 2.780 -3.349 0.406) 4.372 14.289 ( 0.426 -1.578 -1.070) 1.954 14.435 ( 0.084 2.581 0.346) 2.606 14.480 ( -0.758 6.685 -0.871) 6.784 14.711 ( 1.697 -0.139 0.597) 1.805 14.746 ( 3.607 -2.158 0.007) 4.203 14.957 ( -2.130 -3.818 0.785) 4.442 14.995 ( -5.030 -1.764 -0.532) 5.357 15.342 ( -0.634 -7.437 -2.187) 7.778 15.421 ( 0.922 -6.858 2.640) 7.407 15.960 ( -2.987 9.648 -2.303) 10.359 16.134 ( -1.581 5.218 1.843) 5.756 ======================= Grid point 18 (11/76) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 0.000 6.390 0.000) 6.390 0.520 ( 0.000 11.977 0.000) 11.977 0.653 ( 0.000 -9.797 0.000) 9.797 0.829 ( 0.000 3.137 0.000) 3.137 0.890 ( 0.000 -7.195 0.000) 7.195 0.949 ( 0.000 3.866 0.000) 3.866 1.039 ( 0.000 -7.693 0.000) 7.693 1.070 ( 0.000 -0.333 0.000) 0.333 1.154 ( 0.000 -1.236 0.000) 1.236 1.169 ( 0.000 -6.600 0.000) 6.600 1.203 ( 0.000 -2.104 0.000) 2.104 1.284 ( 0.000 2.163 0.000) 2.163 1.373 ( 0.000 2.695 0.000) 2.695 1.381 ( 0.000 8.546 0.000) 8.546 1.450 ( 0.000 4.057 0.000) 4.057 1.490 ( 0.000 7.180 0.000) 7.180 1.522 ( 0.000 -0.554 0.000) 0.554 1.595 ( 0.000 -0.439 0.000) 0.439 1.612 ( 0.000 -0.093 0.000) 0.093 1.632 ( 0.000 -0.626 0.000) 0.626 1.678 ( 0.000 -0.545 0.000) 0.545 1.750 ( 0.000 0.943 0.000) 0.943 1.777 ( 0.000 -0.358 0.000) 0.358 1.797 ( 0.000 -0.954 0.000) 0.954 1.825 ( 0.000 -0.111 0.000) 0.111 1.884 ( 0.000 -2.972 0.000) 2.972 1.937 ( 0.000 -1.339 0.000) 1.339 2.098 ( 0.000 3.882 0.000) 3.882 2.112 ( 0.000 -4.048 0.000) 4.048 2.147 ( 0.000 0.101 0.000) 0.101 2.191 ( 0.000 -0.196 0.000) 0.196 2.236 ( 0.000 -4.228 0.000) 4.228 2.247 ( 0.000 3.485 0.000) 3.485 2.257 ( 0.000 0.677 0.000) 0.677 2.302 ( 0.000 -4.835 0.000) 4.835 2.317 ( 0.000 1.295 0.000) 1.295 2.476 ( 0.000 -6.471 0.000) 6.471 2.489 ( 0.000 -3.776 0.000) 3.776 2.508 ( 0.000 0.361 0.000) 0.361 2.556 ( 0.000 2.568 0.000) 2.568 2.586 ( 0.000 -1.368 0.000) 1.368 2.604 ( 0.000 2.098 0.000) 2.098 2.631 ( 0.000 -0.718 0.000) 0.718 2.632 ( 0.000 -0.131 0.000) 0.131 2.703 ( 0.000 2.272 0.000) 2.272 2.763 ( 0.000 -1.739 0.000) 1.739 2.810 ( 0.000 1.447 0.000) 1.447 2.835 ( 0.000 1.169 0.000) 1.169 2.910 ( 0.000 5.167 0.000) 5.167 2.948 ( 0.000 -1.868 0.000) 1.868 2.990 ( 0.000 -5.768 0.000) 5.768 3.017 ( 0.000 -3.490 0.000) 3.490 3.124 ( 0.000 0.499 0.000) 0.499 3.209 ( 0.000 0.205 0.000) 0.205 3.250 ( 0.000 3.951 0.000) 3.951 3.342 ( 0.000 -3.195 0.000) 3.195 3.365 ( 0.000 1.639 0.000) 1.639 3.370 ( 0.000 0.440 0.000) 0.440 3.565 ( 0.000 3.632 0.000) 3.632 3.701 ( 0.000 -0.855 0.000) 0.855 3.806 ( 0.000 -3.363 0.000) 3.363 3.860 ( 0.000 -2.681 0.000) 2.681 3.964 ( 0.000 7.164 0.000) 7.164 4.021 ( 0.000 5.529 0.000) 5.529 4.170 ( 0.000 -5.882 0.000) 5.882 4.357 ( 0.000 -7.320 0.000) 7.320 4.776 ( 0.000 -0.649 0.000) 0.649 4.902 ( 0.000 -2.482 0.000) 2.482 5.317 ( 0.000 3.964 0.000) 3.964 5.528 ( 0.000 2.223 0.000) 2.223 5.594 ( 0.000 -2.226 0.000) 2.226 5.699 ( 0.000 -0.926 0.000) 0.926 6.958 ( 0.000 1.865 0.000) 1.865 7.082 ( 0.000 -4.624 0.000) 4.624 7.918 ( 0.000 -1.273 0.000) 1.273 8.021 ( 0.000 -6.750 0.000) 6.750 8.712 ( 0.000 8.989 0.000) 8.989 8.820 ( 0.000 2.631 0.000) 2.631 9.338 ( 0.000 0.458 0.000) 0.458 9.439 ( 0.000 -4.514 0.000) 4.514 10.085 ( 0.000 1.463 0.000) 1.463 10.135 ( 0.000 1.218 0.000) 1.218 10.544 ( 0.000 7.634 0.000) 7.634 10.669 ( 0.000 -0.805 0.000) 0.805 10.821 ( 0.000 0.068 0.000) 0.068 10.868 ( 0.000 4.974 0.000) 4.974 10.955 ( 0.000 -6.261 0.000) 6.261 10.997 ( 0.000 -0.378 0.000) 0.378 11.565 ( 0.000 0.070 0.000) 0.070 11.593 ( 0.000 -1.418 0.000) 1.418 11.607 ( 0.000 2.353 0.000) 2.353 11.821 ( 0.000 -4.091 0.000) 4.091 12.206 ( 0.000 5.748 0.000) 5.748 12.250 ( 0.000 0.134 0.000) 0.134 12.363 ( 0.000 -2.255 0.000) 2.255 12.422 ( 0.000 3.181 0.000) 3.181 12.629 ( 0.000 1.434 0.000) 1.434 12.843 ( 0.000 -11.770 0.000) 11.770 12.887 ( 0.000 13.564 0.000) 13.564 12.936 ( 0.000 1.380 0.000) 1.380 13.062 ( 0.000 -3.016 0.000) 3.016 13.232 ( 0.000 -4.709 0.000) 4.709 13.475 ( 0.000 -6.378 0.000) 6.378 13.518 ( 0.000 -9.258 0.000) 9.258 13.672 ( 0.000 11.072 0.000) 11.072 13.917 ( 0.000 3.391 0.000) 3.391 13.923 ( 0.000 1.435 0.000) 1.435 13.954 ( 0.000 1.133 0.000) 1.133 14.143 ( 0.000 5.493 0.000) 5.493 14.217 ( 0.000 -2.019 0.000) 2.019 14.280 ( 0.000 -0.511 0.000) 0.511 14.322 ( 0.000 -4.627 0.000) 4.627 14.444 ( 0.000 8.679 0.000) 8.679 14.826 ( 0.000 -2.441 0.000) 2.441 14.865 ( 0.000 6.278 0.000) 6.278 15.136 ( 0.000 -8.359 0.000) 8.359 15.393 ( 0.000 -10.199 0.000) 10.199 15.495 ( 0.000 -8.129 0.000) 8.129 16.635 ( 0.000 5.835 0.000) 5.835 16.646 ( 0.000 6.637 0.000) 6.637 ======================= Grid point 19 (12/76) ======================= q-point: ( 0.11 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 3.023 5.744 -2.999) 7.150 0.512 ( 7.271 8.569 -0.199) 11.240 0.690 ( 3.632 -5.812 -1.619) 7.042 0.786 ( 1.540 -4.174 -6.175) 7.611 0.961 ( 2.093 -0.779 -0.388) 2.267 0.975 ( 3.474 -3.179 4.739) 6.681 1.063 ( 1.017 -1.278 1.041) 1.936 1.114 ( 3.870 -6.047 0.907) 7.237 1.178 ( 1.826 -4.160 1.613) 4.821 1.238 ( 5.949 -2.123 0.787) 6.365 1.260 ( 5.336 -2.176 -1.132) 5.873 1.312 ( 1.647 -4.782 0.812) 5.123 1.375 ( 0.169 1.052 -1.462) 1.809 1.431 ( 3.094 5.180 1.333) 6.179 1.478 ( 3.730 5.539 -0.187) 6.681 1.485 ( -0.898 2.510 -0.920) 2.820 1.531 ( 2.008 4.667 0.027) 5.081 1.587 ( 0.502 2.070 -0.580) 2.208 1.625 ( 1.866 -0.414 -0.456) 1.965 1.639 ( 1.117 0.446 -0.041) 1.203 1.683 ( 0.556 -0.937 -0.006) 1.089 1.757 ( 1.064 1.845 -0.232) 2.142 1.785 ( -1.182 0.782 2.353) 2.747 1.792 ( 0.998 0.189 0.554) 1.157 1.854 ( 1.505 1.702 1.490) 2.717 1.910 ( 0.497 -2.985 4.115) 5.108 1.947 ( 0.505 -2.405 1.091) 2.689 2.070 ( -1.931 2.486 -2.457) 3.993 2.107 ( 0.096 -2.921 -0.737) 3.014 2.144 ( 0.678 -0.109 -1.677) 1.812 2.181 ( -0.419 -0.213 -1.472) 1.545 2.217 ( -1.277 -0.538 -0.583) 1.503 2.244 ( -0.217 -0.674 -0.519) 0.879 2.258 ( -0.721 0.244 1.351) 1.550 2.291 ( -0.605 -2.454 0.540) 2.585 2.331 ( -0.150 -0.597 2.113) 2.201 2.451 ( -2.414 -5.022 -0.148) 5.574 2.470 ( -5.054 -0.065 -0.173) 5.057 2.477 ( -3.157 0.005 -1.921) 3.696 2.489 ( -0.191 -4.243 -1.982) 4.687 2.572 ( -2.595 1.194 -0.485) 2.897 2.593 ( -1.950 2.327 0.269) 3.048 2.611 ( 0.027 -1.713 -0.120) 1.717 2.669 ( 0.661 -0.560 1.704) 1.911 2.687 ( 0.052 1.247 2.417) 2.720 2.722 ( -1.959 -0.198 -2.415) 3.116 2.810 ( -1.216 0.830 1.357) 2.002 2.818 ( -0.734 0.874 -2.634) 2.871 2.885 ( -1.345 3.081 0.865) 3.471 2.952 ( -1.908 -2.759 2.208) 4.016 3.009 ( -0.131 -1.908 -3.368) 3.873 3.105 ( 2.281 -4.415 3.787) 6.248 3.127 ( 5.373 3.160 0.948) 6.305 3.205 ( 0.611 1.642 -0.522) 1.828 3.241 ( 0.660 3.014 -2.415) 3.918 3.334 ( 1.714 -0.751 -3.529) 3.995 3.379 ( 0.126 -1.632 1.297) 2.088 3.405 ( 0.717 -1.164 3.808) 4.046 3.537 ( -1.931 4.407 -1.392) 5.009 3.725 ( 2.069 -2.121 -0.073) 2.964 3.766 ( -2.072 -3.535 -2.566) 4.835 3.813 ( -0.809 -1.527 -3.174) 3.614 4.015 ( 3.394 6.143 -0.127) 7.020 4.056 ( 2.684 7.181 -0.298) 7.672 4.222 ( 2.519 -6.420 5.449) 8.789 4.360 ( 0.851 -6.482 -0.762) 6.582 4.739 ( -3.458 -0.315 -0.200) 3.478 4.910 ( 1.147 -4.028 -1.291) 4.382 5.251 ( -7.042 5.893 2.279) 9.461 5.500 ( -2.968 4.015 -0.426) 5.011 5.555 ( -4.046 -4.661 0.825) 6.228 5.646 ( -4.425 -0.775 -1.904) 4.879 6.980 ( 1.693 1.824 1.121) 2.730 7.109 ( 2.214 -4.870 0.016) 5.350 7.924 ( 1.234 -0.884 -1.752) 2.318 8.008 ( 0.130 -5.038 -2.633) 5.687 8.732 ( 0.521 9.240 3.339) 9.839 8.836 ( 0.699 3.406 1.999) 4.010 9.304 ( -4.308 1.319 3.437) 5.667 9.445 ( -2.461 -5.881 5.003) 8.104 10.076 ( 0.074 1.130 -1.713) 2.053 10.123 ( -1.249 0.764 0.194) 1.477 10.492 ( -2.147 4.385 -5.673) 7.484 10.616 ( -2.485 1.467 -4.494) 5.340 10.809 ( 3.737 -1.418 -9.256) 10.082 10.870 ( -2.962 -3.276 1.733) 4.745 10.995 ( 2.351 6.194 12.924) 14.523 11.082 ( 1.694 1.710 5.172) 5.705 11.514 ( -2.205 -1.240 -3.811) 4.574 11.523 ( -2.435 0.998 1.718) 3.143 11.754 ( 9.002 -1.601 1.228) 9.225 11.864 ( 4.355 -3.912 -2.008) 6.189 12.189 ( -1.969 3.866 5.320) 6.865 12.237 ( 0.163 0.353 -3.037) 3.062 12.386 ( 2.618 -1.302 -1.646) 3.355 12.437 ( 1.078 3.178 1.108) 3.534 12.642 ( 1.826 2.378 -1.679) 3.436 12.798 ( 0.401 -1.190 -5.940) 6.071 12.928 ( 0.627 3.612 -0.553) 3.708 13.001 ( 0.634 -1.892 10.996) 11.176 13.056 ( 1.202 -1.786 -3.375) 4.003 13.226 ( -1.321 -4.332 1.186) 4.682 13.465 ( -0.894 -5.585 1.424) 5.833 13.532 ( -0.701 -5.537 1.509) 5.781 13.626 ( -2.712 9.145 -1.273) 9.623 13.826 ( -3.829 2.457 -3.951) 6.026 13.925 ( 1.125 3.742 -1.475) 4.177 13.996 ( 0.405 -2.852 1.358) 3.185 14.149 ( -2.795 -0.093 -1.057) 2.990 14.245 ( 2.453 2.059 1.629) 3.593 14.271 ( 1.100 0.215 3.568) 3.740 14.360 ( 3.441 -5.608 -1.425) 6.732 14.475 ( 3.039 7.925 -0.171) 8.489 14.784 ( 0.206 0.952 -4.791) 4.889 14.950 ( 2.989 0.045 6.538) 7.189 15.088 ( -2.917 -4.844 -2.960) 6.382 15.342 ( -4.267 -8.590 -1.170) 9.662 15.480 ( -1.368 -7.945 -1.002) 8.124 16.535 ( -8.948 9.273 0.048) 12.887 16.575 ( -5.190 5.656 -2.645) 8.119 ======================= Grid point 20 (13/76) ======================= q-point: ( 0.22 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 5.701 0.824 0.666) 5.798 0.696 ( 7.845 4.262 0.784) 8.962 0.745 ( 6.783 1.327 -7.596) 10.270 0.852 ( 6.602 -10.118 4.671) 12.953 1.003 ( 1.209 -3.037 1.169) 3.472 1.052 ( 2.378 -3.437 -0.467) 4.206 1.104 ( 1.722 0.298 2.108) 2.738 1.174 ( 1.998 -9.466 -0.167) 9.676 1.257 ( 3.353 -4.496 1.637) 5.843 1.315 ( 1.860 -1.814 -4.373) 5.086 1.340 ( 4.834 -2.786 -2.901) 6.288 1.351 ( 1.054 -0.832 -1.290) 1.862 1.404 ( 5.944 -1.677 2.122) 6.530 1.445 ( 0.226 -2.280 -2.683) 3.529 1.508 ( 2.337 -0.795 0.950) 2.645 1.543 ( 2.394 -2.808 0.246) 3.699 1.589 ( 3.426 5.410 1.918) 6.685 1.627 ( 2.695 2.442 0.547) 3.678 1.647 ( 0.330 0.577 1.191) 1.364 1.711 ( 2.076 0.936 0.313) 2.299 1.717 ( 6.642 4.236 0.061) 7.878 1.775 ( 0.102 0.873 0.745) 1.152 1.798 ( 0.457 3.079 0.237) 3.122 1.832 ( 3.093 -0.773 0.963) 3.331 1.896 ( 1.592 1.188 2.659) 3.319 1.944 ( 0.182 -0.290 -0.135) 0.368 1.965 ( -0.032 -0.571 1.195) 1.325 2.033 ( 0.555 1.295 0.181) 1.421 2.106 ( -0.286 -3.124 -0.835) 3.246 2.129 ( -0.953 -1.795 0.286) 2.053 2.170 ( 0.124 0.425 -0.100) 0.454 2.185 ( -1.436 -1.081 -0.503) 1.866 2.228 ( -0.927 -1.675 -0.333) 1.943 2.251 ( -1.239 0.650 1.746) 2.237 2.289 ( -0.230 -1.504 0.152) 1.529 2.341 ( -1.137 -3.072 0.372) 3.297 2.353 ( -4.065 0.608 -0.266) 4.119 2.393 ( -3.116 -1.027 -0.626) 3.340 2.412 ( -2.266 -1.226 0.063) 2.577 2.458 ( -2.069 -2.636 -0.611) 3.406 2.519 ( -2.179 0.386 -2.355) 3.232 2.562 ( -1.657 0.507 1.397) 2.226 2.599 ( -1.029 -0.435 -2.028) 2.316 2.662 ( -0.331 -0.481 0.400) 0.708 2.663 ( -4.383 -2.491 -0.184) 5.045 2.724 ( 0.582 -0.696 0.439) 1.008 2.769 ( -2.009 -1.339 0.184) 2.422 2.771 ( -2.049 -0.731 -0.773) 2.309 2.896 ( -0.272 6.464 1.296) 6.598 2.930 ( -1.742 1.068 1.091) 2.317 2.975 ( 0.419 0.047 -0.783) 0.889 3.119 ( 1.313 -2.076 -1.146) 2.710 3.196 ( 0.500 1.084 0.622) 1.346 3.243 ( 0.806 4.509 -1.267) 4.753 3.292 ( 0.455 -0.554 2.100) 2.219 3.342 ( 2.017 1.963 0.046) 2.815 3.390 ( 0.597 -0.362 -0.491) 0.854 3.454 ( 4.079 -1.945 0.571) 4.555 3.511 ( 1.821 3.115 -0.887) 3.715 3.722 ( -0.392 -4.200 -1.921) 4.635 3.764 ( 1.729 -4.047 -0.464) 4.426 3.786 ( 1.055 -0.343 -3.245) 3.430 4.061 ( 0.505 4.186 1.199) 4.383 4.098 ( 2.503 9.968 -1.518) 10.389 4.315 ( 2.013 -7.815 3.135) 8.658 4.393 ( 3.942 -3.360 -0.841) 5.247 4.659 ( -5.033 0.407 1.339) 5.224 4.910 ( 0.032 -5.900 -2.084) 6.258 5.121 ( -9.200 8.098 4.597) 13.090 5.397 ( -6.622 3.591 -2.169) 7.839 5.484 ( -3.971 -5.034 1.441) 6.572 5.523 ( -5.604 -0.121 -2.664) 6.206 7.029 ( 1.999 1.080 1.416) 2.677 7.145 ( 1.588 -4.656 -0.579) 4.954 7.930 ( 1.207 0.145 -2.345) 2.641 7.991 ( 0.326 -3.255 -2.034) 3.851 8.782 ( 0.631 9.654 4.946) 10.866 8.866 ( -0.234 5.396 2.428) 5.922 9.265 ( -3.656 0.122 6.703) 7.636 9.413 ( -4.539 -5.583 2.849) 7.739 10.067 ( 0.077 0.610 -0.427) 0.748 10.101 ( -1.699 0.064 1.659) 2.375 10.416 ( 0.288 0.990 -5.999) 6.087 10.511 ( -3.165 1.170 -6.805) 7.596 10.763 ( 0.757 -0.856 -8.626) 8.701 10.883 ( 0.014 -0.071 1.946) 1.947 11.119 ( -0.518 9.970 7.034) 12.213 11.138 ( 0.329 3.447 6.654) 7.501 11.466 ( -0.235 -3.585 0.094) 3.594 11.549 ( 1.352 -2.159 6.692) 7.161 11.896 ( 3.824 -3.515 -0.972) 5.284 11.971 ( 10.635 -1.119 -4.440) 11.579 12.200 ( 0.685 -0.330 -6.689) 6.732 12.234 ( 2.680 -1.643 1.690) 3.569 12.435 ( 1.340 0.201 3.647) 3.890 12.499 ( 4.360 0.355 2.038) 4.826 12.666 ( 3.737 3.904 -3.948) 6.693 12.761 ( 1.083 1.151 -5.335) 5.564 12.890 ( -3.030 0.902 -1.499) 3.499 13.041 ( 0.006 -3.463 -2.577) 4.316 13.115 ( 0.621 2.997 11.482) 11.883 13.208 ( -0.906 -1.072 -0.125) 1.409 13.441 ( -3.115 -1.410 -0.809) 3.513 13.484 ( -3.241 0.729 -1.112) 3.503 13.597 ( -3.989 2.602 6.282) 7.883 13.758 ( -0.325 1.890 -1.520) 2.447 13.908 ( -3.363 -1.323 -1.619) 3.960 13.986 ( 0.928 -3.775 -2.410) 4.573 14.084 ( -0.608 0.152 -2.416) 2.496 14.276 ( 1.757 1.312 0.105) 2.195 14.377 ( 4.621 -2.035 -0.625) 5.088 14.425 ( 3.756 -2.486 2.824) 5.317 14.548 ( 4.017 6.380 1.272) 7.646 14.753 ( 0.049 2.153 -3.697) 4.279 14.987 ( -2.877 -7.877 -1.809) 8.578 15.071 ( 1.725 -1.306 3.672) 4.262 15.240 ( -5.189 -3.920 1.106) 6.597 15.421 ( -3.213 -6.621 -2.526) 7.781 16.371 ( -8.308 8.364 1.037) 11.835 16.423 ( -7.618 5.467 -2.377) 9.673 ======================= Grid point 21 (14/76) ======================= q-point: ( 0.33 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 5.624 -1.940 2.402) 6.416 0.777 ( 4.832 1.394 -5.952) 7.792 0.851 ( 4.232 -9.379 2.892) 10.688 0.987 ( -0.037 -0.511 1.774) 1.846 1.059 ( 5.322 -5.569 0.130) 7.704 1.092 ( 3.183 -2.514 1.163) 4.220 1.146 ( 0.036 -3.492 3.202) 4.737 1.209 ( 2.985 0.197 -0.142) 2.995 1.268 ( 1.177 0.028 -3.195) 3.405 1.302 ( -0.270 -6.192 -4.810) 7.846 1.373 ( 2.209 -1.245 -1.642) 3.020 1.406 ( 0.426 -1.190 -0.005) 1.264 1.461 ( 6.118 -6.203 1.925) 8.923 1.516 ( 2.772 -4.460 -2.443) 5.791 1.543 ( 1.852 0.638 -0.780) 2.108 1.595 ( 1.021 -3.133 2.609) 4.203 1.623 ( 0.225 -1.080 3.470) 3.641 1.657 ( 1.868 2.174 -0.154) 2.871 1.717 ( 1.311 0.117 -1.389) 1.913 1.754 ( -1.759 1.484 -0.409) 2.338 1.773 ( 1.753 -0.988 -0.010) 2.013 1.816 ( 2.603 2.156 0.417) 3.406 1.830 ( 6.095 2.143 1.871) 6.726 1.911 ( 3.278 -1.913 1.696) 4.157 1.949 ( 3.829 2.143 -1.037) 4.509 1.959 ( -0.746 -1.190 1.204) 1.849 2.002 ( 3.527 0.822 3.111) 4.774 2.031 ( -1.132 -2.335 -1.517) 3.006 2.084 ( -0.169 -1.421 0.038) 1.432 2.125 ( -2.529 -2.643 1.331) 3.892 2.130 ( -1.419 -1.837 -1.095) 2.566 2.179 ( -1.812 -2.066 2.376) 3.633 2.223 ( 0.099 -0.163 0.243) 0.309 2.238 ( -1.202 2.075 0.273) 2.413 2.281 ( 0.396 0.883 -1.039) 1.420 2.296 ( -0.194 -1.065 -0.892) 1.403 2.310 ( -1.515 -0.638 -3.136) 3.541 2.344 ( -2.514 -2.307 0.706) 3.484 2.408 ( -0.263 -1.092 1.613) 1.965 2.417 ( -1.440 -0.215 0.952) 1.740 2.465 ( -1.248 -1.713 -2.075) 2.967 2.517 ( -4.173 -4.501 -2.044) 6.469 2.540 ( -3.033 -0.719 -1.172) 3.330 2.586 ( -1.328 -1.011 0.521) 1.749 2.661 ( -2.321 -0.336 0.694) 2.446 2.681 ( -2.798 0.286 0.918) 2.958 2.758 ( 1.563 -0.576 -0.063) 1.667 2.777 ( 1.122 -1.126 -0.248) 1.609 2.865 ( -1.806 6.166 -1.376) 6.571 2.933 ( 1.655 4.320 0.056) 4.627 3.016 ( 0.805 0.320 4.077) 4.168 3.122 ( 0.261 -6.875 -1.791) 7.110 3.205 ( -2.360 3.579 -0.925) 4.386 3.240 ( 0.663 4.636 2.934) 5.527 3.282 ( -0.624 -1.301 -0.140) 1.450 3.337 ( -2.339 0.326 -0.429) 2.400 3.391 ( 3.108 3.085 -1.473) 4.620 3.531 ( 2.068 6.705 -1.840) 7.254 3.636 ( 8.016 -2.154 -0.756) 8.335 3.716 ( 2.042 -0.470 1.051) 2.345 3.778 ( 0.021 -3.838 1.127) 4.000 3.810 ( 4.206 -1.104 -2.868) 5.209 4.037 ( -3.839 4.876 0.890) 6.269 4.131 ( 2.372 8.251 -2.165) 8.854 4.349 ( 0.045 -8.022 1.278) 8.123 4.466 ( 1.317 -4.138 1.525) 4.603 4.591 ( -1.390 4.544 -0.679) 4.800 4.870 ( -2.150 -4.023 -2.059) 5.004 5.000 ( -7.701 6.378 5.718) 11.519 5.230 ( -7.799 0.135 -3.117) 8.400 5.418 ( -2.862 0.496 -1.781) 3.407 5.435 ( -2.290 -2.372 0.836) 3.401 7.072 ( 1.411 -0.312 0.798) 1.651 7.156 ( 0.219 -4.440 -0.842) 4.524 7.932 ( 0.950 0.992 -1.444) 1.993 7.983 ( -0.030 -2.367 -0.856) 2.517 8.823 ( -0.628 8.761 3.499) 9.455 8.860 ( -1.031 7.694 0.105) 7.764 9.283 ( -1.567 -1.151 7.289) 7.544 9.343 ( -3.951 -3.164 1.552) 5.295 10.078 ( 0.028 0.422 1.501) 1.560 10.089 ( -0.558 -0.489 2.188) 2.311 10.382 ( -1.053 -0.170 -6.998) 7.079 10.415 ( 0.649 -0.213 -3.456) 3.522 10.700 ( -0.801 2.593 -5.470) 6.106 10.874 ( -0.575 -1.446 -2.186) 2.683 11.131 ( -0.489 8.426 1.682) 8.606 11.186 ( -1.941 6.776 6.596) 9.654 11.511 ( 2.369 -6.093 4.300) 7.825 11.659 ( 2.070 -6.150 8.818) 10.948 11.917 ( 0.234 -1.731 -2.373) 2.946 12.093 ( 5.821 -5.251 -10.071) 12.762 12.188 ( 4.927 1.307 -3.196) 6.017 12.283 ( 2.351 -1.909 -2.945) 4.224 12.525 ( 4.549 -0.282 4.236) 6.222 12.576 ( 1.696 0.251 0.332) 1.746 12.736 ( 6.270 4.627 -5.298) 9.423 12.784 ( 4.208 1.789 1.875) 4.942 12.842 ( 0.350 2.220 -0.019) 2.247 13.005 ( -1.514 -0.943 -2.330) 2.935 13.172 ( -2.907 1.771 5.842) 6.761 13.215 ( -0.891 0.722 4.752) 4.888 13.359 ( -2.809 3.135 -1.643) 4.519 13.401 ( -4.466 -0.704 -1.134) 4.661 13.534 ( -6.637 2.038 3.536) 7.791 13.707 ( -7.737 -4.709 -1.828) 9.240 13.855 ( 3.639 -0.091 -1.331) 3.876 14.012 ( 2.279 -1.657 -0.233) 2.827 14.101 ( 3.379 -0.740 -0.949) 3.587 14.301 ( 1.273 0.111 -1.746) 2.163 14.427 ( 2.923 -2.265 -3.025) 4.777 14.536 ( 3.883 0.853 3.500) 5.296 14.641 ( 3.738 4.086 2.445) 6.053 14.720 ( -0.161 3.375 -2.671) 4.307 14.924 ( -2.514 -5.188 -0.828) 5.824 15.038 ( -5.330 -7.559 -0.907) 9.293 15.230 ( 0.104 -1.902 4.489) 4.876 15.328 ( -3.631 -5.114 -2.509) 6.755 16.230 ( -6.199 6.895 -1.672) 9.421 16.285 ( -5.839 4.632 1.332) 7.571 ======================= Grid point 22 (15/76) ======================= q-point: ( 0.44 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 2.580 -4.745 2.465) 5.937 0.793 ( 1.307 -0.264 -3.669) 3.904 0.920 ( 0.944 -13.687 1.979) 13.861 0.978 ( -0.239 -6.775 -0.456) 6.794 1.101 ( 0.226 -0.013 -0.123) 0.258 1.154 ( 0.063 -3.372 0.778) 3.461 1.170 ( 2.649 0.932 -0.722) 2.899 1.220 ( -2.327 -4.800 -0.935) 5.415 1.275 ( 1.893 5.087 -0.636) 5.465 1.346 ( 5.737 -1.623 1.725) 6.207 1.406 ( 1.543 -2.124 -0.430) 2.660 1.425 ( 1.847 0.319 -0.845) 2.056 1.481 ( -4.186 -3.332 0.583) 5.382 1.515 ( -2.215 0.144 -0.696) 2.326 1.590 ( 4.068 -1.507 0.044) 4.339 1.646 ( 1.135 -4.482 1.466) 4.850 1.667 ( 0.926 -1.856 2.097) 2.949 1.698 ( 2.743 -2.180 -2.466) 4.285 1.700 ( -1.344 -0.650 -0.443) 1.557 1.717 ( -0.272 -0.924 -0.472) 1.072 1.792 ( 0.353 -2.794 -1.704) 3.292 1.825 ( -0.044 0.234 2.390) 2.402 1.950 ( 0.747 -3.446 -0.091) 3.527 1.956 ( 0.235 -0.390 0.738) 0.868 1.964 ( 0.735 0.526 2.107) 2.293 2.004 ( 0.584 -1.402 0.191) 1.530 2.032 ( 0.724 -0.890 -2.386) 2.647 2.058 ( 0.308 -0.511 -0.166) 0.619 2.067 ( 2.100 -1.067 1.779) 2.952 2.092 ( -0.523 -3.700 0.949) 3.855 2.142 ( 0.457 -1.700 2.423) 2.995 2.172 ( 1.398 0.283 -0.973) 1.726 2.198 ( -0.638 0.337 -0.485) 0.869 2.224 ( -2.298 0.843 1.157) 2.707 2.256 ( -0.829 2.180 -2.281) 3.262 2.284 ( 0.779 -2.034 -1.494) 2.641 2.307 ( 0.628 -2.162 -1.540) 2.728 2.310 ( -1.532 -0.020 1.131) 1.905 2.376 ( -3.286 0.101 -0.287) 3.300 2.403 ( -0.876 -3.281 -0.349) 3.413 2.433 ( -0.082 -1.845 -1.211) 2.208 2.446 ( -0.284 -1.424 -0.215) 1.467 2.519 ( -0.229 -3.409 1.468) 3.718 2.551 ( -1.977 -3.537 -1.720) 4.402 2.634 ( -0.735 2.304 1.422) 2.805 2.677 ( 0.628 0.000 1.952) 2.051 2.772 ( -0.199 2.140 -1.163) 2.444 2.807 ( 1.498 0.094 0.098) 1.504 2.820 ( -1.379 6.005 -0.626) 6.193 2.982 ( 2.534 4.820 0.065) 5.446 3.056 ( 0.166 -0.262 3.447) 3.460 3.101 ( -0.445 -6.109 -2.442) 6.594 3.151 ( -1.919 3.055 -0.367) 3.626 3.255 ( -0.403 -0.323 0.524) 0.736 3.267 ( -0.921 -0.390 -0.293) 1.042 3.307 ( -0.575 -0.247 0.712) 0.948 3.455 ( 2.571 6.433 0.502) 6.946 3.534 ( 0.202 2.801 -1.581) 3.223 3.679 ( 1.669 -0.901 -1.984) 2.745 3.761 ( -0.250 -4.660 -0.057) 4.667 3.825 ( 2.720 5.868 0.085) 6.468 3.922 ( 2.351 1.841 1.285) 3.251 3.982 ( 3.388 8.688 -0.234) 9.328 4.128 ( -2.930 2.749 0.809) 4.098 4.335 ( -1.848 -5.830 -0.235) 6.120 4.438 ( -2.664 -5.023 1.147) 5.800 4.615 ( 3.270 7.102 -2.400) 8.179 4.819 ( -1.728 -1.625 0.218) 2.382 4.938 ( -2.722 3.192 2.726) 5.003 5.085 ( -4.001 -2.233 -1.811) 4.927 5.377 ( -0.664 0.622 -0.527) 1.052 5.413 ( -0.621 -1.366 0.205) 1.515 7.098 ( 0.811 -1.625 0.269) 1.835 7.145 ( -0.479 -4.337 -0.476) 4.389 7.943 ( 0.804 1.258 -0.193) 1.505 7.972 ( -0.511 -1.545 -0.395) 1.674 8.820 ( -0.678 6.346 0.420) 6.396 8.847 ( -0.505 8.928 0.124) 8.943 9.293 ( -1.126 0.962 1.469) 2.086 9.320 ( -0.735 -2.318 2.347) 3.379 10.072 ( -0.703 2.086 0.837) 2.355 10.134 ( 1.410 -2.436 2.461) 3.739 10.300 ( -1.230 0.654 -4.043) 4.277 10.419 ( 0.679 -2.591 -1.284) 2.971 10.654 ( -0.341 4.792 -1.880) 5.159 10.843 ( -0.550 -2.132 -1.413) 2.617 11.140 ( 0.354 6.013 0.198) 6.027 11.190 ( -1.389 8.602 2.522) 9.071 11.598 ( 1.904 -9.656 3.791) 10.547 11.745 ( 0.679 -7.384 3.842) 8.352 11.879 ( -1.285 -0.740 -1.830) 2.355 12.073 ( 1.330 -6.695 -5.677) 8.878 12.259 ( 2.544 1.897 -1.907) 3.702 12.297 ( 1.526 -1.102 -0.928) 2.099 12.587 ( -0.226 1.195 0.307) 1.254 12.630 ( 2.724 -0.499 1.197) 3.017 12.825 ( 7.710 6.607 -5.236) 11.425 12.855 ( 0.997 3.639 4.294) 5.716 12.920 ( 2.999 2.396 -0.458) 3.866 12.954 ( -1.821 1.822 -0.320) 2.596 13.130 ( -6.460 3.454 5.163) 8.962 13.222 ( 0.611 -1.501 0.169) 1.629 13.323 ( 1.589 1.365 -2.182) 3.025 13.356 ( -0.038 -0.722 2.598) 2.697 13.443 ( -5.303 -3.066 1.908) 6.416 13.513 ( -7.171 -2.985 -4.342) 8.899 13.929 ( 2.792 -0.114 -0.247) 2.805 14.051 ( 1.085 -0.804 0.866) 1.604 14.165 ( 2.675 -1.795 0.185) 3.227 14.298 ( 0.134 -0.426 -1.096) 1.183 14.433 ( 0.079 1.022 -1.501) 1.818 14.614 ( 1.849 3.369 1.177) 4.019 14.700 ( 1.692 -0.764 -1.095) 2.155 14.734 ( 1.703 3.274 1.310) 3.916 14.868 ( -2.548 -5.234 -0.638) 5.856 14.943 ( -3.027 -3.886 0.353) 4.938 15.230 ( -0.984 -3.811 -1.824) 4.338 15.287 ( -0.603 -6.319 1.992) 6.653 16.132 ( -2.329 7.710 -0.993) 8.116 16.220 ( -2.144 3.069 0.964) 3.866 ======================= Grid point 27 (16/76) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 0.000 -6.365 0.000) 6.365 0.486 ( 0.000 6.365 0.000) 6.365 0.725 ( 0.000 -10.011 0.000) 10.011 0.725 ( 0.000 10.011 0.000) 10.011 0.908 ( 0.000 -4.719 0.000) 4.719 0.908 ( 0.000 4.719 0.000) 4.719 1.043 ( 0.000 -6.619 0.000) 6.619 1.043 ( 0.000 6.619 0.000) 6.619 1.083 ( 0.000 -0.182 0.000) 0.182 1.083 ( 0.000 0.182 0.000) 0.182 1.217 ( 0.000 -1.374 0.000) 1.374 1.217 ( 0.000 1.374 0.000) 1.374 1.444 ( 0.000 -3.991 0.000) 3.991 1.444 ( 0.000 3.991 0.000) 3.991 1.492 ( 0.000 -0.797 0.000) 0.797 1.492 ( 0.000 0.797 0.000) 0.797 1.591 ( 0.000 -0.382 0.000) 0.382 1.591 ( 0.000 0.382 0.000) 0.382 1.650 ( 0.000 -0.802 0.000) 0.802 1.650 ( 0.000 0.802 0.000) 0.802 1.747 ( 0.000 -1.642 0.000) 1.642 1.747 ( 0.000 1.642 0.000) 1.642 1.795 ( 0.000 -1.863 0.000) 1.863 1.795 ( 0.000 1.863 0.000) 1.863 1.895 ( 0.000 -5.942 0.000) 5.942 1.895 ( 0.000 5.942 0.000) 5.942 1.920 ( 0.000 -8.370 0.000) 8.370 1.920 ( 0.000 8.370 0.000) 8.370 2.143 ( 0.000 -1.906 0.000) 1.906 2.143 ( 0.000 1.906 0.000) 1.906 2.182 ( 0.000 -2.177 0.000) 2.177 2.182 ( 0.000 2.177 0.000) 2.177 2.268 ( 0.000 -3.131 0.000) 3.131 2.268 ( 0.000 3.131 0.000) 3.131 2.291 ( 0.000 -0.127 0.000) 0.127 2.291 ( 0.000 0.127 0.000) 0.127 2.428 ( 0.000 -2.302 0.000) 2.302 2.428 ( 0.000 2.302 0.000) 2.302 2.531 ( 0.000 -2.350 0.000) 2.350 2.531 ( 0.000 2.350 0.000) 2.350 2.599 ( 0.000 -2.165 0.000) 2.165 2.599 ( 0.000 2.165 0.000) 2.165 2.640 ( 0.000 -0.211 0.000) 0.211 2.640 ( 0.000 0.211 0.000) 0.211 2.739 ( 0.000 -1.294 0.000) 1.294 2.739 ( 0.000 1.294 0.000) 1.294 2.851 ( 0.000 -0.607 0.000) 0.607 2.851 ( 0.000 0.607 0.000) 0.607 2.924 ( 0.000 -0.505 0.000) 0.505 2.924 ( 0.000 0.505 0.000) 0.505 2.950 ( 0.000 -2.257 0.000) 2.257 2.950 ( 0.000 2.257 0.000) 2.257 3.165 ( 0.000 -3.316 0.000) 3.316 3.165 ( 0.000 3.316 0.000) 3.316 3.304 ( 0.000 -1.376 0.000) 1.376 3.304 ( 0.000 1.376 0.000) 1.376 3.393 ( 0.000 -0.499 0.000) 0.499 3.393 ( 0.000 0.499 0.000) 0.499 3.680 ( 0.000 -5.367 0.000) 5.367 3.680 ( 0.000 5.367 0.000) 5.367 3.757 ( 0.000 -1.404 0.000) 1.404 3.757 ( 0.000 1.404 0.000) 1.404 4.059 ( 0.000 -2.517 0.000) 2.517 4.059 ( 0.000 2.517 0.000) 2.517 4.204 ( 0.000 -7.734 0.000) 7.734 4.204 ( 0.000 7.734 0.000) 7.734 4.813 ( 0.000 -4.601 0.000) 4.601 4.813 ( 0.000 4.601 0.000) 4.601 5.445 ( 0.000 -7.496 0.000) 7.496 5.445 ( 0.000 7.496 0.000) 7.496 5.647 ( 0.000 -4.195 0.000) 4.195 5.647 ( 0.000 4.195 0.000) 4.195 7.006 ( 0.000 -3.317 0.000) 3.317 7.006 ( 0.000 3.317 0.000) 3.317 7.930 ( 0.000 -2.723 0.000) 2.723 7.930 ( 0.000 2.723 0.000) 2.723 8.824 ( 0.000 -2.682 0.000) 2.682 8.824 ( 0.000 2.682 0.000) 2.682 9.367 ( 0.000 -2.771 0.000) 2.771 9.367 ( 0.000 2.771 0.000) 2.771 10.123 ( 0.000 -2.001 0.000) 2.001 10.123 ( 0.000 2.001 0.000) 2.001 10.653 ( 0.000 -2.547 0.000) 2.547 10.653 ( 0.000 2.547 0.000) 2.547 10.832 ( 0.000 -3.477 0.000) 3.477 10.832 ( 0.000 3.477 0.000) 3.477 10.969 ( 0.000 -3.224 0.000) 3.224 10.969 ( 0.000 3.224 0.000) 3.224 11.560 ( 0.000 -1.166 0.000) 1.166 11.560 ( 0.000 1.166 0.000) 1.166 11.720 ( 0.000 -6.805 0.000) 6.805 11.720 ( 0.000 6.805 0.000) 6.805 12.287 ( 0.000 -4.723 0.000) 4.723 12.287 ( 0.000 4.723 0.000) 4.723 12.373 ( 0.000 -8.337 0.000) 8.337 12.373 ( 0.000 8.337 0.000) 8.337 12.676 ( 0.000 -4.317 0.000) 4.317 12.676 ( 0.000 4.317 0.000) 4.317 12.991 ( 0.000 -3.577 0.000) 3.577 12.991 ( 0.000 3.577 0.000) 3.577 13.115 ( 0.000 -9.118 0.000) 9.118 13.115 ( 0.000 9.118 0.000) 9.118 13.407 ( 0.000 -0.682 0.000) 0.682 13.407 ( 0.000 0.682 0.000) 0.682 13.859 ( 0.000 -7.290 0.000) 7.290 13.859 ( 0.000 7.290 0.000) 7.290 13.969 ( 0.000 -0.234 0.000) 0.234 13.969 ( 0.000 0.234 0.000) 0.234 14.213 ( 0.000 -2.794 0.000) 2.794 14.213 ( 0.000 2.794 0.000) 2.794 14.256 ( 0.000 -3.104 0.000) 3.104 14.256 ( 0.000 3.104 0.000) 3.104 14.639 ( 0.000 -11.744 0.000) 11.744 14.639 ( 0.000 11.744 0.000) 11.744 15.015 ( 0.000 -8.614 0.000) 8.614 15.015 ( 0.000 8.614 0.000) 8.614 15.351 ( 0.000 -5.654 0.000) 5.654 15.351 ( 0.000 5.654 0.000) 5.654 16.701 ( 0.000 -0.618 0.000) 0.618 16.701 ( 0.000 0.618 0.000) 0.618 ======================= Grid point 29 (17/76) ======================= q-point: ( 0.11 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 4.099 -5.195 1.537) 6.794 0.542 ( 4.099 5.195 1.537) 6.794 0.687 ( 1.675 -7.830 -5.607) 9.775 0.687 ( 1.675 7.830 -5.607) 9.775 0.944 ( 2.415 -1.968 0.479) 3.152 0.944 ( 2.415 1.968 0.479) 3.152 1.066 ( 1.966 -5.328 1.337) 5.834 1.066 ( 1.966 5.328 1.337) 5.834 1.141 ( 3.467 -5.783 1.006) 6.817 1.141 ( 3.467 5.783 1.006) 6.817 1.263 ( 4.903 -0.306 0.134) 4.914 1.263 ( 4.903 0.306 0.134) 4.914 1.421 ( -1.510 -3.291 -0.839) 3.717 1.421 ( -1.510 3.291 -0.839) 3.717 1.501 ( 0.780 -2.104 -1.474) 2.684 1.501 ( 0.780 2.104 -1.474) 2.684 1.592 ( 1.729 -2.013 -0.496) 2.700 1.592 ( 1.729 2.013 -0.496) 2.700 1.655 ( 0.281 -0.905 0.331) 1.004 1.655 ( 0.281 0.905 0.331) 1.004 1.760 ( 0.541 -2.593 0.486) 2.693 1.760 ( 0.541 2.593 0.486) 2.693 1.831 ( 2.013 -4.231 2.944) 5.533 1.831 ( 2.013 4.231 2.944) 5.533 1.891 ( -1.015 -5.273 2.026) 5.740 1.891 ( -1.015 5.273 2.026) 5.740 1.956 ( 2.973 -11.236 0.338) 11.627 1.956 ( 2.973 11.236 0.338) 11.627 2.107 ( -2.188 -2.205 -1.867) 3.624 2.107 ( -2.188 2.205 -1.867) 3.624 2.185 ( -0.014 -1.216 -0.240) 1.240 2.185 ( -0.014 1.216 -0.240) 1.240 2.263 ( -0.579 -2.452 0.185) 2.526 2.263 ( -0.579 2.452 0.185) 2.526 2.288 ( -0.458 -1.538 0.356) 1.643 2.288 ( -0.458 1.538 0.356) 1.643 2.422 ( -0.823 -2.609 -0.361) 2.759 2.422 ( -0.823 2.609 -0.361) 2.759 2.469 ( -4.779 -0.339 -0.829) 4.862 2.469 ( -4.779 0.339 -0.829) 4.862 2.586 ( -1.255 -0.777 0.220) 1.493 2.586 ( -1.255 0.777 0.220) 1.493 2.641 ( 0.304 -1.874 0.410) 1.942 2.641 ( 0.304 1.874 0.410) 1.942 2.715 ( -2.578 -1.229 -0.823) 2.972 2.715 ( -2.578 1.229 -0.823) 2.972 2.818 ( -2.716 -0.801 -0.115) 2.833 2.818 ( -2.716 0.801 -0.115) 2.833 2.938 ( 0.266 -2.219 0.333) 2.259 2.938 ( 0.266 2.219 0.333) 2.259 3.002 ( 3.774 -4.796 2.710) 6.678 3.002 ( 3.774 4.796 2.710) 6.678 3.189 ( 1.588 -2.506 -0.293) 2.981 3.189 ( 1.588 2.506 -0.293) 2.981 3.297 ( 2.083 -2.234 -2.989) 4.274 3.297 ( 2.083 2.234 -2.989) 4.274 3.396 ( -0.911 -1.215 1.862) 2.403 3.396 ( -0.911 1.215 1.862) 2.403 3.655 ( -0.685 -6.615 -3.053) 7.318 3.655 ( -0.685 6.615 -3.053) 7.318 3.745 ( 0.276 -3.291 -1.953) 3.836 3.745 ( 0.276 3.291 -1.953) 3.836 4.114 ( 3.333 -4.212 1.836) 5.677 4.114 ( 3.333 4.212 1.836) 5.677 4.219 ( 1.243 -7.675 1.320) 7.887 4.219 ( 1.243 7.675 1.320) 7.887 4.793 ( -1.801 -5.884 -0.376) 6.165 4.793 ( -1.801 5.884 -0.376) 6.165 5.409 ( -4.259 -8.695 1.704) 9.831 5.409 ( -4.259 8.695 1.704) 9.831 5.598 ( -4.091 -4.034 -1.721) 5.998 5.598 ( -4.091 4.034 -1.721) 5.998 7.029 ( 1.818 -3.456 0.583) 3.948 7.029 ( 1.818 3.456 0.583) 3.948 7.936 ( 1.212 -2.315 -1.612) 3.070 7.936 ( 1.212 2.315 -1.612) 3.070 8.847 ( 1.036 -2.637 2.832) 4.006 8.847 ( 1.036 2.637 2.832) 4.006 9.351 ( -3.304 -3.865 3.502) 6.174 9.351 ( -3.304 3.865 3.502) 6.174 10.109 ( -0.734 -1.855 -1.001) 2.232 10.109 ( -0.734 1.855 -1.001) 2.232 10.581 ( -2.931 -4.682 -7.952) 9.682 10.581 ( -2.931 4.682 -7.952) 9.682 10.816 ( 1.553 -2.949 -1.924) 3.848 10.816 ( 1.553 2.949 -1.924) 3.848 11.083 ( 3.071 -2.684 10.500) 11.264 11.083 ( 3.071 2.684 10.500) 11.264 11.514 ( -4.075 -1.672 1.001) 4.517 11.514 ( -4.075 1.672 1.001) 4.517 11.785 ( 7.274 -4.321 -2.483) 8.818 11.785 ( 7.274 4.321 -2.483) 8.818 12.246 ( -1.828 -1.237 -2.321) 3.203 12.246 ( -1.828 1.237 -2.321) 3.203 12.410 ( 1.780 -4.392 2.044) 5.161 12.410 ( 1.780 4.392 2.044) 5.161 12.701 ( 1.867 -4.191 0.273) 4.596 12.701 ( 1.867 4.191 0.273) 4.596 12.979 ( 0.143 -3.106 -3.493) 4.677 12.979 ( 0.143 3.106 -3.493) 4.677 13.132 ( 0.935 -6.443 2.755) 7.069 13.132 ( 0.935 6.443 2.755) 7.069 13.428 ( 0.319 -2.756 3.061) 4.131 13.428 ( 0.319 2.756 3.061) 4.131 13.800 ( -3.626 -6.540 -2.696) 7.949 13.800 ( -3.626 6.540 -2.696) 7.949 13.965 ( -1.006 -0.589 -0.803) 1.416 13.965 ( -1.006 0.589 -0.803) 1.416 14.189 ( -1.046 -5.385 -0.685) 5.529 14.189 ( -1.046 5.385 -0.685) 5.529 14.304 ( 3.134 -1.837 1.931) 4.114 14.304 ( 3.134 1.837 1.931) 4.114 14.656 ( 1.897 -10.737 -0.290) 10.907 14.656 ( 1.897 10.737 -0.290) 10.907 15.005 ( -0.452 -7.181 -1.880) 7.437 15.005 ( -0.452 7.181 -1.880) 7.437 15.333 ( -2.223 -6.566 1.202) 7.036 15.333 ( -2.223 6.566 1.202) 7.036 16.626 ( -6.653 -0.800 -1.215) 6.810 16.626 ( -6.653 0.800 -1.215) 6.810 ======================= Grid point 31 (18/76) ======================= q-point: ( 0.22 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 2.401 -8.963 1.776) 9.447 0.614 ( 2.401 8.963 1.776) 9.447 0.767 ( 8.387 -1.941 -1.801) 8.796 0.767 ( 8.387 1.941 -1.801) 8.796 0.984 ( 2.086 -3.511 -0.642) 4.133 0.984 ( 2.086 3.511 -0.642) 4.133 1.131 ( 1.698 -6.718 3.638) 7.826 1.131 ( 1.698 6.718 3.638) 7.826 1.198 ( 3.137 -6.593 -0.571) 7.324 1.198 ( 3.137 6.593 -0.571) 7.324 1.354 ( 2.581 -1.254 -1.165) 3.097 1.354 ( 2.581 1.254 -1.165) 3.097 1.398 ( 2.170 -2.348 -4.134) 5.226 1.398 ( 2.170 2.348 -4.134) 5.226 1.508 ( 1.524 -0.872 1.343) 2.210 1.508 ( 1.524 0.872 1.343) 2.210 1.654 ( 1.672 -0.132 0.971) 1.938 1.654 ( 1.672 0.132 0.971) 1.938 1.677 ( 3.575 -3.417 0.678) 4.991 1.677 ( 3.575 3.417 0.678) 4.991 1.770 ( 0.989 -0.932 -0.719) 1.538 1.770 ( 0.989 0.932 -0.719) 1.538 1.878 ( -0.918 -2.296 0.918) 2.638 1.878 ( -0.918 2.296 0.918) 2.638 1.909 ( 2.485 -1.731 2.198) 3.742 1.909 ( 2.485 1.731 2.198) 3.742 2.002 ( 0.532 -4.532 -0.993) 4.670 2.002 ( 0.532 4.532 -0.993) 4.670 2.069 ( -0.243 -2.074 1.979) 2.877 2.069 ( -0.243 2.074 1.979) 2.877 2.169 ( -2.079 -0.064 0.498) 2.138 2.169 ( -2.079 0.064 0.498) 2.138 2.247 ( -0.536 -2.706 -1.308) 3.053 2.247 ( -0.536 2.706 -1.308) 3.053 2.281 ( -0.755 -1.498 0.820) 1.868 2.281 ( -0.755 1.498 0.820) 1.868 2.361 ( -3.032 -1.233 -0.779) 3.365 2.361 ( -3.032 1.233 -0.779) 3.365 2.420 ( -1.419 -1.478 1.105) 2.327 2.420 ( -1.419 1.478 1.105) 2.327 2.543 ( -2.900 -1.656 -1.469) 3.648 2.543 ( -2.900 1.656 -1.469) 3.648 2.622 ( -3.578 -1.778 -1.544) 4.284 2.622 ( -3.578 1.778 -1.544) 4.284 2.684 ( 1.511 -2.636 1.511) 3.394 2.684 ( 1.511 2.636 1.511) 3.394 2.761 ( -3.231 -0.562 -0.360) 3.299 2.761 ( -3.231 0.562 -0.360) 3.299 2.953 ( 1.651 -1.942 -0.281) 2.564 2.953 ( 1.651 1.942 -0.281) 2.564 3.037 ( -1.825 -6.196 0.147) 6.461 3.037 ( -1.825 6.196 0.147) 6.461 3.242 ( 2.623 -2.579 1.607) 4.014 3.242 ( 2.623 2.579 1.607) 4.014 3.340 ( 2.390 -3.465 -1.032) 4.334 3.340 ( 2.390 3.465 -1.032) 4.334 3.392 ( 1.073 -2.075 0.657) 2.426 3.392 ( 1.073 2.075 0.657) 2.426 3.643 ( 2.485 -5.804 -1.910) 6.596 3.643 ( 2.485 5.804 -1.910) 6.596 3.737 ( 0.949 -2.658 -2.632) 3.859 3.737 ( 0.949 2.658 -2.632) 3.859 4.160 ( 0.561 -6.647 -0.165) 6.673 4.160 ( 0.561 6.647 -0.165) 6.673 4.282 ( 3.188 -8.196 1.852) 8.987 4.282 ( 3.188 8.196 1.852) 8.987 4.750 ( -2.448 -8.296 0.716) 8.680 4.750 ( -2.448 8.296 0.716) 8.680 5.317 ( -7.068 -9.848 1.462) 12.210 5.317 ( -7.068 9.848 1.462) 12.210 5.489 ( -4.687 -3.107 -2.007) 5.971 5.489 ( -4.687 3.107 -2.007) 5.971 7.069 ( 1.553 -3.169 0.450) 3.557 7.069 ( 1.553 3.169 0.450) 3.557 7.944 ( 1.265 -1.598 -1.998) 2.854 7.944 ( 1.265 1.598 -1.998) 2.854 8.901 ( 0.966 -2.228 4.125) 4.787 8.901 ( 0.966 2.228 4.125) 4.787 9.309 ( -4.230 -4.547 4.352) 7.584 9.309 ( -4.230 4.547 4.352) 7.584 10.090 ( -0.895 -1.302 0.439) 1.640 10.090 ( -0.895 1.302 0.439) 1.640 10.464 ( -1.139 -3.889 -8.817) 9.704 10.464 ( -1.139 3.889 -8.817) 9.704 10.826 ( 0.626 -5.067 -2.569) 5.715 10.826 ( 0.626 5.067 -2.569) 5.715 11.206 ( 1.421 -1.855 7.041) 7.419 11.206 ( 1.421 1.855 7.041) 7.419 11.469 ( -3.674 -5.019 7.413) 9.677 11.469 ( -3.674 5.019 7.413) 9.677 11.915 ( 9.233 -3.976 -6.606) 12.029 11.915 ( 9.233 3.976 -6.606) 12.029 12.206 ( 0.781 -1.113 -3.426) 3.686 12.206 ( 0.781 1.113 -3.426) 3.686 12.468 ( 1.993 -2.898 3.544) 4.993 12.468 ( 1.993 2.898 3.544) 4.993 12.734 ( 2.149 -2.847 -1.091) 3.730 12.734 ( 2.149 2.847 -1.091) 3.730 12.944 ( -0.145 -4.900 -3.525) 6.038 12.944 ( -0.145 4.900 -3.525) 6.038 13.189 ( 1.388 -2.044 3.495) 4.280 13.189 ( 1.388 2.044 3.495) 4.280 13.440 ( -2.336 -2.990 2.686) 4.649 13.440 ( -2.336 2.990 2.686) 4.649 13.712 ( -4.353 -6.867 0.164) 8.132 13.712 ( -4.353 6.867 0.164) 8.132 13.917 ( -1.507 -3.566 -2.261) 4.483 13.917 ( -1.507 3.566 -2.261) 4.483 14.178 ( 1.246 -8.322 -2.216) 8.702 14.178 ( 1.246 8.322 -2.216) 8.702 14.392 ( 4.193 -3.196 1.719) 5.545 14.392 ( 4.193 3.196 1.719) 5.545 14.700 ( 2.292 -8.164 0.650) 8.505 14.700 ( 2.292 8.164 0.650) 8.505 14.961 ( -2.061 -6.531 -2.491) 7.287 14.961 ( -2.061 6.531 -2.491) 7.287 15.295 ( -2.962 -6.385 1.552) 7.208 15.295 ( -2.962 6.385 1.552) 7.208 16.465 ( -8.445 -1.386 -0.923) 8.608 16.465 ( -8.445 1.386 -0.923) 8.608 ======================= Grid point 33 (19/76) ======================= q-point: ( 0.33 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 1.365 -5.737 2.154) 6.278 0.672 ( 1.365 5.737 2.154) 6.278 0.868 ( 2.710 -7.614 -1.958) 8.316 0.868 ( 2.710 7.614 -1.958) 8.316 1.047 ( 4.020 -1.320 1.915) 4.645 1.047 ( 4.020 1.320 1.915) 4.645 1.168 ( 0.281 -6.428 0.793) 6.483 1.168 ( 0.281 6.428 0.793) 6.483 1.260 ( 3.536 -4.132 -0.025) 5.438 1.260 ( 3.536 4.132 -0.025) 5.438 1.371 ( 1.221 -2.241 0.629) 2.628 1.371 ( 1.221 2.241 0.629) 2.628 1.429 ( 4.709 -3.616 -3.658) 6.974 1.429 ( 4.709 3.616 -3.658) 6.974 1.561 ( 1.445 -1.273 1.134) 2.235 1.561 ( 1.445 1.273 1.134) 2.235 1.668 ( 0.064 -2.417 0.682) 2.512 1.668 ( 0.064 2.417 0.682) 2.512 1.735 ( 1.135 -2.112 -0.872) 2.552 1.735 ( 1.135 2.112 -0.872) 2.552 1.797 ( -0.768 -3.006 -1.224) 3.335 1.797 ( -0.768 3.006 -1.224) 3.335 1.879 ( 3.495 -2.562 0.773) 4.402 1.879 ( 3.495 2.562 0.773) 4.402 1.958 ( 0.217 -2.420 1.404) 2.806 1.958 ( 0.217 2.420 1.404) 2.806 2.004 ( 1.593 -2.274 0.751) 2.876 2.004 ( 1.593 2.274 0.751) 2.876 2.081 ( -1.742 -2.083 0.116) 2.718 2.081 ( -1.742 2.083 0.116) 2.718 2.135 ( -0.803 -3.203 2.273) 4.008 2.135 ( -0.803 3.203 2.273) 4.008 2.237 ( 0.074 -1.903 -0.513) 1.973 2.237 ( 0.074 1.903 -0.513) 1.973 2.267 ( -1.125 -1.321 -0.148) 1.741 2.267 ( -1.125 1.321 -0.148) 1.741 2.329 ( -0.474 -1.055 0.103) 1.161 2.329 ( -0.474 1.055 0.103) 1.161 2.401 ( -1.540 -0.896 -0.249) 1.799 2.401 ( -1.540 0.896 -0.249) 1.799 2.461 ( -2.917 -1.497 -2.184) 3.940 2.461 ( -2.917 1.497 -2.184) 3.940 2.555 ( -2.843 -1.779 -0.291) 3.366 2.555 ( -2.843 1.779 -0.291) 3.366 2.681 ( -2.933 -0.954 0.916) 3.217 2.681 ( -2.933 0.954 0.916) 3.217 2.754 ( 2.930 -0.684 0.181) 3.014 2.754 ( 2.930 0.684 0.181) 3.014 2.984 ( -2.110 -5.367 0.349) 5.777 2.984 ( -2.110 5.367 0.349) 5.777 3.003 ( 2.909 -3.801 -1.154) 4.924 3.003 ( 2.909 3.801 -1.154) 4.924 3.254 ( -1.667 -1.580 -0.333) 2.321 3.254 ( -1.667 1.580 -0.333) 2.321 3.314 ( -2.201 -2.684 0.567) 3.517 3.314 ( -2.201 2.684 0.567) 3.517 3.488 ( 4.792 -6.000 0.380) 7.688 3.488 ( 4.792 6.000 0.380) 7.688 3.696 ( 1.175 -3.247 0.202) 3.459 3.696 ( 1.175 3.247 0.202) 3.459 3.768 ( 6.754 -4.942 -1.603) 8.521 3.768 ( 6.754 4.942 -1.603) 8.521 4.148 ( -0.238 -7.811 -2.290) 8.143 4.148 ( -0.238 7.811 -2.290) 8.143 4.333 ( -0.591 -8.616 2.789) 9.075 4.333 ( -0.591 8.616 2.789) 9.075 4.726 ( -0.302 -8.521 0.217) 8.529 4.726 ( -0.302 8.521 0.217) 8.529 5.168 ( -8.644 -7.430 0.101) 11.399 5.168 ( -8.644 7.430 0.101) 11.399 5.413 ( -2.081 -0.392 -0.708) 2.233 5.413 ( -2.081 0.392 -0.708) 2.233 7.089 ( 0.462 -2.313 -0.054) 2.360 7.089 ( 0.462 2.313 -0.054) 2.360 7.950 ( 0.832 -1.225 -1.160) 1.881 7.950 ( 0.832 1.225 -1.160) 1.881 8.930 ( -0.812 -1.228 1.626) 2.194 8.930 ( -0.812 1.228 1.626) 2.194 9.285 ( -2.200 -1.894 4.895) 5.691 9.285 ( -2.200 1.894 4.895) 5.691 10.086 ( -0.278 -0.491 1.574) 1.672 10.086 ( -0.278 0.491 1.574) 1.672 10.390 ( -0.024 -1.364 -6.342) 6.487 10.390 ( -0.024 1.364 -6.342) 6.487 10.795 ( -0.509 -6.021 -3.742) 7.108 10.795 ( -0.509 6.021 -3.742) 7.108 11.254 ( -0.652 -3.792 3.395) 5.131 11.254 ( -0.652 3.792 3.395) 5.131 11.503 ( -1.275 -7.840 9.866) 12.666 11.503 ( -1.275 7.840 9.866) 12.666 11.975 ( 3.778 -6.217 -8.607) 11.270 11.975 ( 3.778 6.217 -8.607) 11.270 12.233 ( 4.696 -3.038 -3.323) 6.506 12.233 ( 4.696 3.038 -3.323) 6.506 12.547 ( 2.453 -2.232 4.049) 5.234 12.547 ( 2.453 2.232 4.049) 5.234 12.790 ( 5.372 -1.203 -1.097) 5.614 12.790 ( 5.372 1.203 -1.097) 5.614 12.925 ( 0.649 -5.862 -1.790) 6.164 12.925 ( 0.649 5.862 -1.790) 6.164 13.221 ( -0.687 -2.158 1.787) 2.885 13.221 ( -0.687 2.158 1.787) 2.885 13.387 ( -4.710 -2.203 2.052) 5.590 13.387 ( -4.710 2.203 2.052) 5.590 13.603 ( -7.779 -5.550 0.175) 9.558 13.603 ( -7.779 5.550 0.175) 9.558 13.919 ( 3.079 -5.708 -0.631) 6.516 13.919 ( 3.079 5.708 -0.631) 6.516 14.193 ( 1.909 -8.018 -1.748) 8.425 14.193 ( 1.909 8.018 -1.748) 8.425 14.483 ( 4.392 -5.328 -0.260) 6.910 14.483 ( 4.392 5.328 -0.260) 6.910 14.742 ( 1.199 -4.798 0.829) 5.015 14.742 ( 1.199 4.798 0.829) 5.015 14.895 ( -3.000 -5.853 -0.759) 6.621 14.895 ( -3.000 5.853 -0.759) 6.621 15.249 ( -2.793 -3.070 0.568) 4.189 15.249 ( -2.793 3.070 0.568) 4.189 16.315 ( -6.421 -1.645 -0.205) 6.632 16.315 ( -6.421 1.645 -0.205) 6.632 ======================= Grid point 35 (20/76) ======================= q-point: ( 0.44 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 0.033 -4.448 0.830) 4.525 0.696 ( 0.033 4.448 0.830) 4.525 0.871 ( -0.013 -4.805 -0.923) 4.893 0.871 ( -0.013 4.805 -0.923) 4.893 1.103 ( 0.351 -1.379 0.631) 1.556 1.103 ( 0.351 1.379 0.631) 1.556 1.173 ( 0.648 -1.150 -0.437) 1.391 1.173 ( 0.648 1.150 -0.437) 1.391 1.352 ( 4.585 -1.786 1.019) 5.025 1.352 ( 4.585 1.786 1.019) 5.025 1.404 ( 0.496 -3.400 1.188) 3.636 1.404 ( 0.496 3.400 1.188) 3.636 1.490 ( 2.621 -4.532 -0.812) 5.298 1.490 ( 2.621 4.532 -0.812) 5.298 1.574 ( -0.113 -2.648 -0.565) 2.710 1.574 ( -0.113 2.648 -0.565) 2.710 1.674 ( -0.240 -3.124 1.357) 3.414 1.674 ( -0.240 3.124 1.357) 3.414 1.708 ( -2.154 -0.710 -2.653) 3.491 1.708 ( -2.154 0.710 -2.653) 3.491 1.762 ( 0.197 -1.720 -0.181) 1.740 1.762 ( 0.197 1.720 -0.181) 1.740 1.934 ( 0.243 -2.128 1.065) 2.392 1.934 ( 0.243 2.128 1.065) 2.392 1.987 ( 0.088 -1.037 0.159) 1.053 1.987 ( 0.088 1.037 0.159) 1.053 2.026 ( 1.056 -1.264 -0.544) 1.734 2.026 ( 1.056 1.264 -0.544) 1.734 2.068 ( 0.327 -0.897 2.736) 2.897 2.068 ( 0.327 0.897 2.736) 2.897 2.155 ( 1.219 -2.475 -0.417) 2.791 2.155 ( 1.219 2.475 -0.417) 2.791 2.215 ( -1.729 -1.746 -0.364) 2.483 2.215 ( -1.729 1.746 -0.364) 2.483 2.259 ( 0.308 -1.315 -0.499) 1.440 2.259 ( 0.308 1.315 -0.499) 1.440 2.325 ( 0.123 -2.553 -0.562) 2.617 2.325 ( 0.123 2.553 -0.562) 2.617 2.355 ( -1.669 -1.011 -0.280) 1.971 2.355 ( -1.669 1.011 -0.280) 1.971 2.427 ( -0.305 -0.564 0.068) 0.645 2.427 ( -0.305 0.564 0.068) 0.645 2.497 ( -1.919 -1.456 -1.020) 2.616 2.497 ( -1.919 1.456 -1.020) 2.616 2.668 ( -0.109 -1.112 1.499) 1.870 2.668 ( -0.109 1.112 1.499) 1.870 2.801 ( 1.473 -0.887 -0.007) 1.720 2.801 ( 1.473 0.887 -0.007) 1.720 2.944 ( -1.222 -7.139 -0.376) 7.252 2.944 ( -1.222 7.139 -0.376) 7.252 3.056 ( 1.911 -2.029 0.047) 2.788 3.056 ( 1.911 2.029 0.047) 2.788 3.208 ( -1.815 -2.860 -0.295) 3.400 3.208 ( -1.815 2.860 -0.295) 3.400 3.294 ( -0.464 -1.290 0.101) 1.375 3.294 ( -0.464 1.290 0.101) 1.375 3.539 ( 0.989 -2.030 -0.181) 2.266 3.539 ( 0.989 2.030 -0.181) 2.266 3.697 ( -0.076 -2.168 -0.302) 2.190 3.697 ( -0.076 2.168 -0.302) 2.190 3.910 ( 5.204 -2.907 0.777) 6.011 3.910 ( 5.204 2.907 0.777) 6.011 4.141 ( 2.220 -6.453 -2.349) 7.217 4.141 ( 2.220 6.453 -2.349) 7.217 4.299 ( -4.666 -6.382 2.746) 8.369 4.299 ( -4.666 6.382 2.746) 8.369 4.737 ( 1.474 -5.940 -1.296) 6.256 4.737 ( 1.474 5.940 -1.296) 6.256 5.033 ( -4.629 -4.363 0.496) 6.380 5.033 ( -4.629 4.363 0.496) 6.380 5.387 ( -0.481 -0.926 -0.163) 1.056 5.387 ( -0.481 0.926 -0.163) 1.056 7.091 ( -0.011 -1.194 -0.140) 1.202 7.091 ( -0.011 1.194 -0.140) 1.202 7.955 ( 0.309 -0.560 -0.286) 0.701 7.955 ( 0.309 0.560 -0.286) 0.701 8.914 ( -0.851 -1.969 -0.046) 2.146 8.914 ( -0.851 1.969 -0.046) 2.146 9.297 ( -0.466 -0.036 2.357) 2.403 9.297 ( -0.466 0.036 2.357) 2.403 10.102 ( 0.288 -1.207 1.260) 1.769 10.102 ( 0.288 1.207 1.260) 1.769 10.347 ( -0.202 -4.083 -2.703) 4.901 10.347 ( -0.202 4.083 -2.703) 4.901 10.761 ( -0.276 -5.785 -1.648) 6.022 10.761 ( -0.276 5.785 -1.648) 6.022 11.260 ( -0.451 -4.413 1.046) 4.558 11.260 ( -0.451 4.413 1.046) 4.558 11.559 ( -0.271 -8.013 4.845) 9.368 11.559 ( -0.271 8.013 4.845) 9.368 11.949 ( 0.585 -5.975 -4.386) 7.435 11.949 ( 0.585 5.975 -4.386) 7.435 12.285 ( 2.336 -0.761 -1.638) 2.953 12.285 ( 2.336 0.761 -1.638) 2.953 12.610 ( 1.200 -1.385 1.566) 2.411 12.610 ( 1.200 1.385 1.566) 2.411 12.894 ( 3.455 -1.084 0.381) 3.641 12.894 ( 3.455 1.084 0.381) 3.641 12.947 ( 3.285 -2.125 -0.912) 4.017 12.947 ( 3.285 2.125 -0.912) 4.017 13.193 ( -2.735 -1.609 0.674) 3.244 13.193 ( -2.735 1.609 0.674) 3.244 13.331 ( -2.125 -2.354 1.303) 3.428 13.331 ( -2.125 2.354 1.303) 3.428 13.459 ( -5.117 -3.887 -0.983) 6.500 13.459 ( -5.117 3.887 -0.983) 6.500 13.979 ( 2.129 -4.852 0.298) 5.307 13.979 ( 2.129 4.852 0.298) 5.307 14.215 ( 1.082 -5.661 -0.397) 5.778 14.215 ( 1.082 5.661 -0.397) 5.778 14.537 ( 1.674 -7.386 -0.964) 7.635 14.537 ( 1.674 7.386 -0.964) 7.635 14.761 ( 0.629 -4.230 0.029) 4.277 14.761 ( 0.629 4.230 0.029) 4.277 14.848 ( -1.800 -5.764 0.664) 6.075 14.848 ( -1.800 5.764 0.664) 6.075 15.209 ( -1.251 -1.638 -0.038) 2.062 15.209 ( -1.251 1.638 -0.038) 2.062 16.229 ( -2.346 -2.348 0.044) 3.319 16.229 ( -2.346 2.348 0.044) 3.319 ======================= Grid point 63 (21/76) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 5.097 0.000 12.528) 13.525 0.259 ( -4.171 0.000 12.286) 12.974 0.509 ( 2.610 0.000 21.815) 21.970 0.661 ( 2.982 0.000 -5.474) 6.234 0.743 ( -2.740 0.000 -8.386) 8.822 0.870 ( -2.765 0.000 2.642) 3.824 1.072 ( 2.077 0.000 3.663) 4.211 1.130 ( -0.391 0.000 -1.715) 1.760 1.219 ( -0.443 0.000 0.162) 0.471 1.240 ( -0.413 0.000 -0.373) 0.556 1.261 ( -0.003 0.000 -1.050) 1.050 1.312 ( 0.338 0.000 5.153) 5.164 1.406 ( 0.384 0.000 -0.227) 0.446 1.452 ( 2.957 0.000 -1.329) 3.242 1.459 ( -0.981 0.000 1.771) 2.024 1.516 ( -2.554 0.000 -2.024) 3.258 1.565 ( 0.950 0.000 -2.798) 2.955 1.579 ( 3.046 0.000 -1.672) 3.475 1.616 ( 0.138 0.000 -1.196) 1.204 1.654 ( 0.054 0.000 -0.645) 0.647 1.703 ( -0.173 0.000 -2.863) 2.868 1.732 ( -1.355 0.000 -0.835) 1.592 1.798 ( 1.458 0.000 -0.927) 1.728 1.809 ( -1.989 0.000 -2.069) 2.870 1.834 ( -2.419 0.000 6.111) 6.572 2.020 ( 1.810 0.000 4.393) 4.751 2.042 ( -0.880 0.000 -4.656) 4.739 2.063 ( -0.816 0.000 -1.844) 2.016 2.100 ( 0.032 0.000 -0.822) 0.823 2.115 ( -1.438 0.000 -1.417) 2.018 2.156 ( 0.156 0.000 -2.983) 2.987 2.176 ( -1.065 0.000 -1.712) 2.016 2.266 ( 0.494 0.000 4.627) 4.653 2.304 ( -1.306 0.000 -0.858) 1.563 2.342 ( 0.235 0.000 -2.867) 2.877 2.353 ( -2.249 0.000 0.595) 2.327 2.422 ( 0.941 0.000 1.414) 1.699 2.466 ( 1.514 0.000 -1.301) 1.996 2.544 ( -0.307 0.000 3.485) 3.498 2.558 ( 0.207 0.000 0.780) 0.807 2.596 ( 1.351 0.000 0.874) 1.609 2.610 ( -3.262 0.000 0.398) 3.286 2.626 ( -1.527 0.000 0.638) 1.655 2.641 ( 2.773 0.000 1.088) 2.978 2.702 ( 1.735 0.000 -0.906) 1.958 2.711 ( -2.123 0.000 -1.199) 2.438 2.795 ( 2.051 0.000 1.820) 2.742 2.811 ( 2.408 0.000 1.628) 2.907 2.868 ( -0.487 0.000 -2.352) 2.402 2.935 ( -4.453 0.000 -3.328) 5.559 3.029 ( -0.584 0.000 -0.139) 0.600 3.036 ( 2.066 0.000 -2.814) 3.492 3.106 ( 0.687 0.000 4.660) 4.710 3.173 ( -0.609 0.000 -0.376) 0.716 3.239 ( 0.301 0.000 0.361) 0.470 3.344 ( 2.777 0.000 -2.490) 3.730 3.350 ( 0.120 0.000 1.950) 1.954 3.444 ( -0.632 0.000 -1.741) 1.852 3.650 ( -0.577 0.000 -0.737) 0.936 3.657 ( -1.591 0.000 -0.854) 1.806 3.840 ( 0.099 0.000 1.653) 1.656 3.862 ( -0.196 0.000 0.258) 0.324 3.944 ( -0.356 0.000 1.827) 1.862 4.126 ( 2.286 0.000 8.542) 8.843 4.191 ( 2.394 0.000 -8.189) 8.532 4.381 ( -2.466 0.000 -1.745) 3.022 4.824 ( -0.377 0.000 0.532) 0.652 4.857 ( -2.185 0.000 -1.209) 2.497 5.428 ( 1.459 0.000 3.817) 4.086 5.480 ( -1.649 0.000 4.404) 4.702 5.604 ( -0.419 0.000 -2.757) 2.789 5.685 ( 3.037 0.000 -3.811) 4.873 6.983 ( -0.445 0.000 5.003) 5.023 7.192 ( 0.413 0.000 -2.549) 2.583 7.985 ( 4.305 0.000 -2.762) 5.115 8.093 ( -13.616 0.000 -6.134) 14.934 8.504 ( -0.041 0.000 8.895) 8.895 8.728 ( -1.683 0.000 2.036) 2.641 9.332 ( 0.540 0.000 12.375) 12.387 9.898 ( -2.847 0.000 -11.603) 11.947 10.083 ( 0.047 0.000 3.690) 3.690 10.133 ( -1.874 0.000 4.912) 5.258 10.469 ( 8.723 0.000 -6.865) 11.101 10.498 ( 2.479 0.000 -10.538) 10.826 10.650 ( -0.779 0.000 1.935) 2.086 10.782 ( 3.007 0.000 3.217) 4.404 11.128 ( -5.428 0.000 3.350) 6.379 11.239 ( -3.382 0.000 -7.734) 8.441 11.495 ( -2.271 0.000 -0.774) 2.399 11.507 ( -6.498 0.000 -3.721) 7.488 11.804 ( 0.794 0.000 3.887) 3.967 11.954 ( 9.688 0.000 -6.962) 11.930 12.120 ( 3.804 0.000 6.973) 7.943 12.264 ( 1.296 0.000 3.733) 3.952 12.305 ( -3.049 0.000 3.402) 4.568 12.320 ( 3.879 0.000 3.555) 5.262 12.454 ( -6.983 0.000 0.156) 6.984 12.610 ( -3.475 0.000 -5.389) 6.412 12.974 ( -1.016 0.000 4.768) 4.875 13.031 ( -0.590 0.000 -0.934) 1.105 13.379 ( -5.151 0.000 -0.968) 5.241 13.397 ( 3.097 0.000 0.524) 3.141 13.589 ( -1.285 0.000 -4.488) 4.668 13.643 ( -5.431 0.000 0.362) 5.443 13.697 ( 1.610 0.000 -6.336) 6.538 13.774 ( 20.158 0.000 -2.215) 20.279 13.919 ( 0.254 0.000 3.218) 3.228 13.951 ( 6.905 0.000 3.395) 7.695 14.120 ( -4.182 0.000 2.660) 4.956 14.167 ( 5.932 0.000 -0.383) 5.944 14.210 ( -0.863 0.000 1.418) 1.659 14.300 ( 1.173 0.000 -1.935) 2.263 14.446 ( 1.415 0.000 1.303) 1.923 14.539 ( -2.843 0.000 -2.939) 4.089 15.150 ( -20.414 0.000 4.150) 20.831 15.223 ( 2.156 0.000 0.306) 2.178 15.572 ( -0.077 0.000 -1.932) 1.933 15.608 ( 3.343 0.000 -5.629) 6.547 16.025 ( 4.983 0.000 10.461) 11.587 16.391 ( -1.801 0.000 -5.432) 5.723 ======================= Grid point 64 (22/76) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 6.758 0.000 9.754) 11.866 0.519 ( 10.561 0.000 9.908) 14.481 0.638 ( 3.660 0.000 -9.210) 9.910 0.699 ( 3.639 0.000 -10.499) 11.112 0.907 ( 14.320 0.000 8.978) 16.902 0.954 ( 10.407 0.000 1.723) 10.549 1.155 ( 5.107 0.000 -1.405) 5.296 1.180 ( 3.085 0.000 5.405) 6.224 1.247 ( 1.946 0.000 -0.489) 2.007 1.252 ( 2.945 0.000 2.811) 4.071 1.295 ( 6.452 0.000 -3.346) 7.268 1.381 ( 1.052 0.000 6.628) 6.711 1.418 ( -0.529 0.000 -0.031) 0.530 1.438 ( -1.200 0.000 -3.017) 3.247 1.465 ( 1.009 0.000 -1.151) 1.530 1.535 ( 7.328 0.000 -3.434) 8.093 1.571 ( 1.847 0.000 -1.637) 2.468 1.606 ( 2.133 0.000 -2.105) 2.996 1.633 ( -0.495 0.000 -0.793) 0.935 1.633 ( 1.348 0.000 0.703) 1.521 1.707 ( 0.018 0.000 -1.837) 1.837 1.716 ( 2.277 0.000 -0.510) 2.334 1.757 ( -0.753 0.000 -2.006) 2.143 1.816 ( 1.581 0.000 -1.070) 1.909 1.860 ( -0.586 0.000 6.243) 6.270 1.975 ( -2.226 0.000 -2.145) 3.091 2.018 ( -2.278 0.000 -2.076) 3.082 2.073 ( -1.487 0.000 -0.955) 1.768 2.091 ( 0.116 0.000 4.786) 4.788 2.113 ( 2.197 0.000 0.992) 2.410 2.138 ( 0.602 0.000 -1.514) 1.629 2.156 ( 0.312 0.000 -1.234) 1.273 2.278 ( -1.451 0.000 -0.056) 1.452 2.295 ( -0.096 0.000 1.006) 1.010 2.317 ( -2.981 0.000 3.179) 4.358 2.331 ( -0.664 0.000 0.630) 0.915 2.420 ( -0.375 0.000 -3.316) 3.337 2.467 ( -0.963 0.000 -2.070) 2.283 2.508 ( -5.203 0.000 0.634) 5.241 2.554 ( -0.754 0.000 1.312) 1.514 2.557 ( -0.150 0.000 0.139) 0.205 2.596 ( -1.096 0.000 0.344) 1.149 2.637 ( -1.739 0.000 2.144) 2.761 2.648 ( -0.324 0.000 1.092) 1.138 2.670 ( 0.738 0.000 -1.147) 1.364 2.791 ( 3.697 0.000 -1.880) 4.147 2.820 ( -3.978 0.000 -2.964) 4.960 2.829 ( -0.900 0.000 -1.631) 1.862 2.850 ( -0.718 0.000 2.966) 3.052 2.875 ( 1.749 0.000 3.429) 3.849 2.964 ( -1.765 0.000 -4.210) 4.565 3.058 ( 1.169 0.000 -1.009) 1.544 3.156 ( -1.193 0.000 5.071) 5.210 3.194 ( 2.203 0.000 -2.061) 3.017 3.268 ( 3.501 0.000 -0.763) 3.583 3.330 ( -1.046 0.000 -3.257) 3.421 3.390 ( 1.942 0.000 2.331) 3.034 3.418 ( -0.520 0.000 -1.622) 1.704 3.623 ( -1.238 0.000 0.662) 1.403 3.643 ( -0.023 0.000 0.311) 0.312 3.842 ( -1.085 0.000 1.134) 1.570 3.865 ( 0.307 0.000 -0.080) 0.317 3.955 ( -0.417 0.000 1.996) 2.039 4.145 ( 0.392 0.000 -8.828) 8.836 4.250 ( 2.379 0.000 8.371) 8.703 4.331 ( 0.170 0.000 -3.460) 3.464 4.812 ( -1.874 0.000 1.276) 2.268 4.832 ( 0.022 0.000 -0.556) 0.557 5.436 ( -4.530 0.000 4.700) 6.528 5.451 ( -4.578 0.000 3.894) 6.010 5.503 ( -6.707 0.000 -4.262) 7.947 5.634 ( -3.351 0.000 -4.277) 5.433 7.040 ( 1.311 0.000 5.319) 5.478 7.182 ( 1.533 0.000 -3.716) 4.020 7.907 ( -4.001 0.000 -2.926) 4.957 8.069 ( 4.327 0.000 1.838) 4.701 8.589 ( 0.286 0.000 9.562) 9.567 8.682 ( -3.373 0.000 -1.432) 3.665 9.450 ( -0.656 0.000 13.203) 13.220 9.688 ( -8.228 0.000 -6.618) 10.559 10.118 ( 0.672 0.000 4.518) 4.568 10.138 ( -2.423 0.000 5.069) 5.618 10.408 ( -2.334 0.000 -10.297) 10.558 10.441 ( -0.139 0.000 -8.731) 8.732 10.649 ( 0.435 0.000 -1.491) 1.553 10.835 ( 0.940 0.000 1.729) 1.968 11.036 ( -7.455 0.000 3.765) 8.352 11.122 ( -2.995 0.000 1.597) 3.394 11.466 ( 2.090 0.000 2.418) 3.196 11.528 ( 6.305 0.000 2.461) 6.768 11.835 ( 2.810 0.000 -2.256) 3.604 12.085 ( 8.750 0.000 -5.820) 10.508 12.247 ( -2.808 0.000 1.185) 3.048 12.262 ( -2.857 0.000 -2.768) 3.978 12.318 ( 7.501 0.000 9.805) 12.345 12.354 ( -0.236 0.000 0.737) 0.774 12.485 ( -2.377 0.000 -8.709) 9.027 12.490 ( 5.001 0.000 6.207) 7.971 12.994 ( -2.306 0.000 -0.908) 2.478 13.055 ( 0.838 0.000 7.169) 7.218 13.263 ( -4.386 0.000 -3.162) 5.407 13.376 ( -6.255 0.000 -0.582) 6.282 13.475 ( -4.451 0.000 3.941) 5.945 13.547 ( 0.237 0.000 -3.832) 3.840 13.696 ( 0.719 0.000 0.061) 0.722 13.712 ( -9.383 0.000 2.615) 9.741 13.894 ( -3.077 0.000 -1.937) 3.636 14.090 ( -0.134 0.000 2.048) 2.052 14.131 ( 5.190 0.000 -5.785) 7.772 14.190 ( -0.351 0.000 -1.334) 1.380 14.356 ( 4.360 0.000 -0.664) 4.411 14.381 ( 2.258 0.000 -1.908) 2.957 14.499 ( 2.490 0.000 2.297) 3.387 14.529 ( 10.326 0.000 -8.230) 13.205 15.017 ( -3.980 0.000 10.418) 11.153 15.296 ( 3.421 0.000 3.192) 4.679 15.507 ( -4.827 0.000 -2.124) 5.274 15.566 ( -1.822 0.000 -5.255) 5.562 16.173 ( 0.831 0.000 8.665) 8.705 16.258 ( -5.417 0.000 -8.152) 9.788 ======================= Grid point 65 (23/76) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 9.358 0.000 7.039) 11.710 0.634 ( 1.845 0.000 -11.789) 11.932 0.699 ( 9.246 0.000 -5.465) 10.740 0.803 ( 11.355 0.000 7.331) 13.516 1.099 ( 3.131 0.000 0.464) 3.165 1.142 ( 5.512 0.000 -1.683) 5.763 1.230 ( 0.196 0.000 1.137) 1.154 1.239 ( 2.131 0.000 -0.343) 2.159 1.345 ( 7.092 0.000 -0.565) 7.114 1.381 ( 2.992 0.000 2.445) 3.863 1.411 ( 2.821 0.000 3.241) 4.297 1.435 ( 8.821 0.000 -3.437) 9.467 1.452 ( 3.962 0.000 2.060) 4.466 1.480 ( 7.329 0.000 -2.652) 7.794 1.506 ( 2.057 0.000 3.223) 3.823 1.597 ( 3.318 0.000 -6.356) 7.170 1.612 ( 5.324 0.000 -0.995) 5.416 1.641 ( 3.217 0.000 -1.528) 3.561 1.654 ( 2.243 0.000 1.578) 2.742 1.677 ( 1.207 0.000 -0.856) 1.480 1.727 ( 5.236 0.000 0.568) 5.267 1.764 ( 2.766 0.000 0.191) 2.772 1.770 ( 2.148 0.000 0.975) 2.359 1.847 ( 2.312 0.000 -0.028) 2.313 1.918 ( 1.307 0.000 5.371) 5.528 1.935 ( -0.445 0.000 -0.685) 0.817 1.952 ( -2.071 0.000 -1.776) 2.729 2.052 ( -0.587 0.000 0.286) 0.653 2.118 ( 0.399 0.000 -2.287) 2.322 2.129 ( 0.913 0.000 2.788) 2.933 2.156 ( 0.460 0.000 -0.838) 0.956 2.187 ( -1.276 0.000 5.136) 5.292 2.249 ( 1.148 0.000 -2.296) 2.567 2.283 ( -2.544 0.000 1.702) 3.061 2.308 ( -1.471 0.000 1.201) 1.899 2.312 ( -1.210 0.000 0.323) 1.253 2.377 ( 0.653 0.000 -2.674) 2.752 2.396 ( -3.777 0.000 -0.993) 3.905 2.430 ( -3.416 0.000 1.254) 3.639 2.536 ( -2.502 0.000 -0.132) 2.506 2.558 ( -2.410 0.000 0.133) 2.414 2.565 ( 0.359 0.000 -0.373) 0.518 2.604 ( -2.375 0.000 -0.210) 2.385 2.666 ( 1.023 0.000 2.112) 2.346 2.697 ( -0.966 0.000 2.011) 2.231 2.739 ( -1.202 0.000 -3.362) 3.570 2.758 ( -2.109 0.000 -2.989) 3.658 2.832 ( -3.344 0.000 3.606) 4.917 2.834 ( -2.302 0.000 -0.909) 2.475 2.842 ( 0.675 0.000 -1.334) 1.495 3.012 ( -4.755 0.000 -2.682) 5.459 3.019 ( 4.143 0.000 2.370) 4.773 3.168 ( -0.561 0.000 2.922) 2.975 3.201 ( 1.388 0.000 -3.585) 3.845 3.287 ( -0.230 0.000 -0.852) 0.883 3.330 ( 2.369 0.000 -0.774) 2.492 3.387 ( -1.369 0.000 -1.568) 2.082 3.458 ( 3.471 0.000 1.836) 3.926 3.636 ( 0.453 0.000 3.723) 3.750 3.648 ( -0.653 0.000 1.461) 1.600 3.824 ( -1.317 0.000 0.256) 1.342 3.868 ( 0.855 0.000 -2.546) 2.685 3.954 ( -1.499 0.000 2.112) 2.590 4.065 ( -0.212 0.000 -8.815) 8.818 4.335 ( 2.962 0.000 -3.010) 4.223 4.345 ( 0.520 0.000 7.020) 7.039 4.764 ( -5.178 0.000 2.803) 5.887 4.835 ( 0.226 0.000 -0.287) 0.366 5.300 ( -9.592 0.000 -5.087) 10.858 5.362 ( -7.013 0.000 4.516) 8.341 5.388 ( -4.155 0.000 2.465) 4.831 5.519 ( -4.357 0.000 -4.014) 5.924 7.110 ( 1.486 0.000 4.289) 4.539 7.190 ( 2.885 0.000 -4.014) 4.943 7.843 ( -0.913 0.000 -1.881) 2.091 8.148 ( 0.593 0.000 3.934) 3.979 8.587 ( -3.936 0.000 -3.120) 5.023 8.671 ( 0.525 0.000 7.140) 7.159 9.483 ( -7.876 0.000 -5.392) 9.545 9.501 ( -3.969 0.000 8.084) 9.006 10.115 ( -3.392 0.000 1.891) 3.884 10.199 ( 2.934 0.000 5.677) 6.391 10.281 ( -1.849 0.000 -6.772) 7.020 10.370 ( 0.385 0.000 -7.746) 7.755 10.624 ( -0.408 0.000 -5.057) 5.074 10.860 ( 2.192 0.000 -2.841) 3.589 10.940 ( -6.250 0.000 6.677) 9.146 11.120 ( -0.482 0.000 3.397) 3.431 11.584 ( 4.398 0.000 8.313) 9.405 11.754 ( 11.405 0.000 7.822) 13.830 11.888 ( 6.788 0.000 -6.690) 9.531 12.127 ( 1.775 0.000 -9.975) 10.132 12.206 ( -1.024 0.000 -1.625) 1.920 12.237 ( 4.994 0.000 -3.510) 6.104 12.343 ( -1.063 0.000 -0.727) 1.288 12.364 ( -0.813 0.000 -8.430) 8.470 12.572 ( 7.100 0.000 11.503) 13.517 12.604 ( 3.223 0.000 2.799) 4.269 12.966 ( -0.582 0.000 1.506) 1.615 13.059 ( -6.112 0.000 5.464) 8.198 13.190 ( 0.642 0.000 -5.673) 5.709 13.230 ( -4.873 0.000 -5.480) 7.333 13.469 ( -2.140 0.000 6.901) 7.226 13.558 ( -1.774 0.000 1.274) 2.184 13.574 ( -7.257 0.000 3.310) 7.977 13.671 ( -2.711 0.000 2.069) 3.411 13.864 ( 3.758 0.000 -4.238) 5.665 14.070 ( -1.535 0.000 -9.203) 9.330 14.125 ( 1.608 0.000 2.290) 2.798 14.215 ( 1.855 0.000 1.011) 2.112 14.391 ( 0.697 0.000 -0.456) 0.833 14.415 ( 1.670 0.000 0.045) 1.670 14.585 ( 4.555 0.000 2.099) 5.015 14.623 ( 5.723 0.000 -5.762) 8.121 15.067 ( -0.387 0.000 7.854) 7.863 15.316 ( -6.280 0.000 -3.097) 7.002 15.433 ( 0.351 0.000 5.741) 5.752 15.476 ( -3.067 0.000 -3.846) 4.919 16.070 ( -6.562 0.000 -7.902) 10.271 16.211 ( -3.262 0.000 6.199) 7.005 ======================= Grid point 66 (24/76) ======================= q-point: ( 0.33 0.00 -0.75) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 4.359 0.000 -3.833) 5.804 0.815 ( 8.600 0.000 0.160) 8.601 0.875 ( 7.602 0.000 5.797) 9.560 1.059 ( 9.376 0.000 4.290) 10.311 1.132 ( 1.067 0.000 0.616) 1.232 1.185 ( 2.419 0.000 -0.713) 2.522 1.221 ( -1.966 0.000 0.516) 2.033 1.250 ( 0.088 0.000 0.323) 0.335 1.375 ( -0.270 0.000 -1.932) 1.951 1.413 ( 1.543 0.000 -0.644) 1.672 1.510 ( 2.193 0.000 -4.498) 5.004 1.510 ( 1.016 0.000 -0.970) 1.405 1.521 ( 1.622 0.000 1.332) 2.099 1.563 ( 3.029 0.000 0.925) 3.167 1.599 ( 4.307 0.000 -1.903) 4.709 1.633 ( 5.076 0.000 0.688) 5.122 1.677 ( 1.636 0.000 -1.681) 2.346 1.712 ( 2.303 0.000 1.642) 2.829 1.721 ( 0.975 0.000 -0.685) 1.192 1.739 ( 2.599 0.000 2.315) 3.480 1.805 ( 3.138 0.000 -0.366) 3.160 1.841 ( 5.223 0.000 1.664) 5.482 1.848 ( 6.087 0.000 -0.542) 6.111 1.908 ( 5.178 0.000 -2.051) 5.569 1.918 ( 2.045 0.000 -0.051) 2.045 1.971 ( 0.195 0.000 1.169) 1.185 2.005 ( 4.005 0.000 -0.031) 4.005 2.067 ( 4.725 0.000 -0.141) 4.727 2.088 ( 0.189 0.000 -2.335) 2.342 2.153 ( -3.286 0.000 1.353) 3.553 2.162 ( 0.796 0.000 -0.326) 0.861 2.183 ( 0.258 0.000 1.961) 1.978 2.227 ( -3.173 0.000 -1.600) 3.553 2.236 ( 0.776 0.000 -3.677) 3.758 2.271 ( -2.997 0.000 2.429) 3.858 2.335 ( 1.114 0.000 1.026) 1.515 2.369 ( 0.640 0.000 2.283) 2.371 2.390 ( -0.489 0.000 1.046) 1.155 2.427 ( 1.708 0.000 1.573) 2.323 2.463 ( -3.553 0.000 0.027) 3.553 2.524 ( -1.637 0.000 -2.160) 2.710 2.547 ( -2.353 0.000 1.341) 2.708 2.551 ( -1.439 0.000 -0.275) 1.465 2.639 ( -3.898 0.000 0.242) 3.906 2.685 ( -2.921 0.000 -0.659) 2.995 2.708 ( -0.479 0.000 -2.350) 2.398 2.728 ( 2.867 0.000 -1.327) 3.159 2.792 ( -2.635 0.000 4.198) 4.957 2.826 ( -0.717 0.000 1.163) 1.367 2.836 ( -1.374 0.000 -1.690) 2.178 2.866 ( -4.996 0.000 -2.983) 5.819 3.068 ( 0.609 0.000 -0.550) 0.820 3.173 ( -0.328 0.000 -0.368) 0.493 3.199 ( 1.533 0.000 -2.588) 3.008 3.331 ( -1.146 0.000 -0.413) 1.218 3.348 ( -1.535 0.000 -0.219) 1.551 3.365 ( 5.412 0.000 4.943) 7.330 3.547 ( 3.496 0.000 2.196) 4.129 3.624 ( -3.107 0.000 0.567) 3.158 3.681 ( 0.468 0.000 3.840) 3.869 3.795 ( -1.389 0.000 -0.717) 1.563 3.820 ( -2.148 0.000 -6.444) 6.793 3.964 ( 0.034 0.000 4.152) 4.152 4.012 ( 2.539 0.000 -7.146) 7.584 4.375 ( 2.739 0.000 -1.448) 3.098 4.386 ( -1.854 0.000 4.993) 5.326 4.670 ( -7.603 0.000 4.358) 8.763 4.808 ( -2.486 0.000 -2.327) 3.405 5.100 ( -6.182 0.000 -3.133) 6.931 5.258 ( -5.976 0.000 1.030) 6.064 5.357 ( -1.934 0.000 3.392) 3.905 5.426 ( -1.901 0.000 -2.629) 3.245 7.163 ( 0.706 0.000 2.943) 3.027 7.222 ( 3.670 0.000 -3.382) 4.990 7.834 ( 0.393 0.000 0.417) 0.573 8.145 ( -3.098 0.000 1.560) 3.468 8.504 ( -2.164 0.000 -1.438) 2.598 8.720 ( -0.221 0.000 2.854) 2.863 9.309 ( -5.814 0.000 -3.672) 6.877 9.455 ( -4.458 0.000 1.617) 4.742 10.046 ( -2.859 0.000 -2.606) 3.869 10.245 ( 1.190 0.000 -0.983) 1.544 10.279 ( 0.663 0.000 -1.875) 1.989 10.341 ( 2.595 0.000 -0.965) 2.768 10.563 ( -1.628 0.000 -2.826) 3.262 10.868 ( 3.336 0.000 -7.457) 8.169 10.924 ( -3.268 0.000 9.391) 9.943 11.138 ( -1.393 0.000 4.286) 4.506 11.751 ( 4.115 0.000 10.913) 11.663 11.951 ( 5.707 0.000 -9.029) 10.682 12.029 ( 4.418 0.000 6.335) 7.724 12.078 ( 6.475 0.000 -7.435) 9.860 12.198 ( 1.841 0.000 -0.469) 1.900 12.275 ( 3.284 0.000 -5.268) 6.208 12.317 ( 2.783 0.000 -5.502) 6.166 12.381 ( 4.302 0.000 2.601) 5.027 12.671 ( 2.841 0.000 -1.008) 3.015 12.757 ( 2.047 0.000 9.415) 9.635 12.965 ( -7.966 0.000 5.112) 9.465 12.972 ( -0.807 0.000 2.047) 2.200 13.117 ( -2.242 0.000 -3.846) 4.452 13.154 ( 0.686 0.000 -6.016) 6.055 13.408 ( -10.379 0.000 -2.515) 10.679 13.470 ( -3.360 0.000 3.115) 4.582 13.510 ( -2.529 0.000 4.010) 4.741 13.723 ( 3.792 0.000 0.575) 3.836 13.919 ( 3.144 0.000 -0.130) 3.147 13.981 ( -0.743 0.000 -4.578) 4.638 14.198 ( 3.752 0.000 3.056) 4.839 14.271 ( 3.481 0.000 0.700) 3.550 14.382 ( -0.186 0.000 -3.144) 3.149 14.424 ( -0.547 0.000 -0.110) 0.558 14.677 ( 3.395 0.000 -0.977) 3.533 14.688 ( 4.248 0.000 1.065) 4.379 15.096 ( -3.423 0.000 5.180) 6.209 15.129 ( -8.130 0.000 -3.786) 8.968 15.407 ( -0.317 0.000 -2.953) 2.970 15.514 ( 1.063 0.000 6.660) 6.744 15.888 ( -5.774 0.000 -5.881) 8.241 16.168 ( -4.977 0.000 2.590) 5.611 ======================= Grid point 67 (25/76) ======================= q-point: ( 0.44 0.00 -0.75) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 5.296 0.000 5.516) 7.647 0.947 ( 3.323 0.000 3.055) 4.514 1.031 ( 2.953 0.000 5.472) 6.217 1.155 ( -2.034 0.000 -0.026) 2.034 1.164 ( 1.319 0.000 -0.893) 1.593 1.180 ( 0.360 0.000 1.271) 1.321 1.237 ( 0.432 0.000 -0.521) 0.677 1.278 ( -0.251 0.000 1.383) 1.406 1.357 ( 2.789 0.000 -0.619) 2.857 1.413 ( -0.916 0.000 -2.630) 2.785 1.489 ( -0.339 0.000 -3.633) 3.648 1.499 ( 0.448 0.000 -2.037) 2.085 1.557 ( 1.434 0.000 -0.786) 1.635 1.592 ( -1.460 0.000 -0.762) 1.647 1.606 ( 1.326 0.000 1.117) 1.733 1.687 ( 0.975 0.000 -0.533) 1.111 1.712 ( -0.109 0.000 0.531) 0.542 1.733 ( 2.178 0.000 2.218) 3.108 1.758 ( 0.339 0.000 1.173) 1.221 1.770 ( 0.646 0.000 2.601) 2.680 1.840 ( 2.277 0.000 -1.498) 2.726 1.890 ( -1.220 0.000 -0.559) 1.343 1.940 ( -0.666 0.000 -2.064) 2.168 1.967 ( 1.789 0.000 1.857) 2.578 1.989 ( 4.339 0.000 -0.173) 4.342 2.018 ( 3.821 0.000 1.154) 3.992 2.022 ( 2.049 0.000 -1.789) 2.720 2.105 ( -0.095 0.000 -0.216) 0.236 2.127 ( 2.089 0.000 -0.663) 2.192 2.155 ( 1.073 0.000 -2.643) 2.853 2.162 ( -0.807 0.000 -0.646) 1.033 2.176 ( 1.479 0.000 -0.691) 1.633 2.219 ( -2.417 0.000 -2.942) 3.807 2.224 ( 3.260 0.000 0.340) 3.278 2.234 ( -2.068 0.000 1.838) 2.767 2.328 ( -0.512 0.000 -3.553) 3.589 2.389 ( 1.515 0.000 -0.832) 1.729 2.389 ( -4.585 0.000 3.576) 5.814 2.433 ( -1.366 0.000 2.252) 2.634 2.452 ( 2.271 0.000 -0.704) 2.378 2.516 ( 1.838 0.000 1.451) 2.342 2.528 ( 0.880 0.000 -1.428) 1.678 2.546 ( -3.024 0.000 4.273) 5.235 2.573 ( -0.610 0.000 -1.222) 1.366 2.613 ( -4.343 0.000 -0.412) 4.363 2.691 ( -2.840 0.000 -0.930) 2.988 2.692 ( 1.159 0.000 -1.780) 2.124 2.736 ( -1.092 0.000 -2.497) 2.726 2.799 ( -2.574 0.000 1.012) 2.765 2.808 ( 1.056 0.000 -1.807) 2.093 2.925 ( 2.659 0.000 5.811) 6.390 3.075 ( 1.302 0.000 -1.152) 1.739 3.171 ( 3.504 0.000 -2.365) 4.228 3.227 ( 3.035 0.000 -1.238) 3.278 3.301 ( -1.759 0.000 0.568) 1.848 3.331 ( -0.767 0.000 1.732) 1.894 3.420 ( -5.446 0.000 0.276) 5.453 3.544 ( -4.110 0.000 -1.843) 4.504 3.613 ( 0.876 0.000 2.971) 3.097 3.719 ( -1.882 0.000 -1.451) 2.376 3.769 ( 6.036 0.000 1.503) 6.220 3.771 ( -0.450 0.000 -0.389) 0.595 3.988 ( -1.730 0.000 3.010) 3.472 4.054 ( 6.987 0.000 -3.825) 7.965 4.349 ( -4.816 0.000 1.094) 4.939 4.395 ( 0.446 0.000 -2.132) 2.178 4.570 ( -6.805 0.000 5.843) 8.969 4.740 ( 0.117 0.000 -3.328) 3.330 5.032 ( -0.317 0.000 0.373) 0.490 5.167 ( -2.982 0.000 -1.872) 3.521 5.359 ( -1.226 0.000 3.157) 3.386 5.404 ( 0.823 0.000 -0.609) 1.024 7.184 ( -0.827 0.000 1.942) 2.111 7.262 ( 2.954 0.000 -2.457) 3.842 7.857 ( 0.751 0.000 2.438) 2.551 8.082 ( -2.855 0.000 -1.794) 3.372 8.490 ( 0.542 0.000 1.633) 1.721 8.704 ( -2.021 0.000 -1.553) 2.549 9.222 ( -1.023 0.000 -0.690) 1.234 9.378 ( -3.239 0.000 -2.277) 3.960 9.993 ( 0.119 0.000 -2.512) 2.515 10.215 ( -1.251 0.000 -8.069) 8.165 10.284 ( 1.534 0.000 2.839) 3.227 10.404 ( 1.895 0.000 1.480) 2.404 10.532 ( -0.184 0.000 -0.152) 0.239 10.857 ( 3.662 0.000 -10.633) 11.246 10.962 ( -2.174 0.000 11.261) 11.469 11.141 ( -2.365 0.000 4.862) 5.406 11.862 ( -3.559 0.000 5.916) 6.904 11.977 ( -1.480 0.000 -7.707) 7.848 11.988 ( 7.341 0.000 -2.745) 7.838 12.194 ( 2.491 0.000 -1.983) 3.184 12.246 ( 1.155 0.000 2.913) 3.134 12.357 ( 5.367 0.000 0.250) 5.373 12.394 ( 9.174 0.000 -4.360) 10.158 12.463 ( -1.337 0.000 4.882) 5.061 12.737 ( 7.184 0.000 0.825) 7.231 12.813 ( -2.232 0.000 5.469) 5.907 12.849 ( -9.728 0.000 7.521) 12.296 12.966 ( -1.725 0.000 1.423) 2.236 13.088 ( 0.283 0.000 -1.462) 1.489 13.117 ( 0.982 0.000 -5.966) 6.047 13.192 ( -5.775 0.000 -6.771) 8.899 13.370 ( -5.470 0.000 -4.841) 7.304 13.547 ( 0.902 0.000 5.407) 5.481 13.769 ( 1.132 0.000 -1.239) 1.678 13.971 ( 1.401 0.000 1.960) 2.409 13.979 ( 1.843 0.000 1.372) 2.298 14.294 ( 2.958 0.000 1.623) 3.374 14.333 ( -0.901 0.000 -3.188) 3.313 14.365 ( 4.707 0.000 1.011) 4.815 14.394 ( -3.115 0.000 0.929) 3.251 14.728 ( 1.303 0.000 0.865) 1.564 14.759 ( 3.270 0.000 -0.674) 3.339 14.986 ( -3.435 0.000 -1.518) 3.755 15.026 ( -5.438 0.000 0.933) 5.517 15.421 ( 2.724 0.000 -0.380) 2.751 15.542 ( -3.264 0.000 1.552) 3.614 15.807 ( 1.530 0.000 0.488) 1.606 16.081 ( -4.314 0.000 -1.495) 4.565 ======================= Grid point 68 (26/76) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 4.145 0.000 10.395) 11.191 0.931 ( -8.294 0.000 0.893) 8.342 1.075 ( -0.049 0.000 3.917) 3.918 1.116 ( -7.858 0.000 -3.577) 8.633 1.137 ( 0.606 0.000 0.881) 1.069 1.177 ( -2.259 0.000 -1.769) 2.869 1.208 ( -2.520 0.000 4.097) 4.810 1.259 ( 1.136 0.000 1.377) 1.785 1.359 ( -0.543 0.000 -3.384) 3.427 1.445 ( -1.335 0.000 -1.956) 2.368 1.463 ( 5.512 0.000 -0.740) 5.562 1.500 ( 1.571 0.000 -2.021) 2.560 1.549 ( -2.648 0.000 -1.507) 3.047 1.555 ( -0.566 0.000 0.136) 0.582 1.639 ( 0.897 0.000 -0.479) 1.017 1.695 ( 0.923 0.000 -1.722) 1.954 1.724 ( -4.256 0.000 0.012) 4.256 1.742 ( -0.092 0.000 3.600) 3.601 1.769 ( 0.138 0.000 2.033) 2.038 1.811 ( 0.142 0.000 2.401) 2.405 1.822 ( -4.760 0.000 0.667) 4.807 1.834 ( -0.678 0.000 -4.859) 4.906 1.941 ( 1.010 0.000 -1.928) 2.176 1.957 ( -2.246 0.000 0.443) 2.290 1.990 ( -6.921 0.000 3.055) 7.565 2.039 ( -0.656 0.000 -0.831) 1.059 2.057 ( 2.744 0.000 0.077) 2.745 2.090 ( -1.086 0.000 0.394) 1.155 2.112 ( -3.122 0.000 -3.109) 4.406 2.145 ( -1.985 0.000 -0.587) 2.070 2.151 ( -1.035 0.000 -0.276) 1.071 2.153 ( -1.533 0.000 -0.869) 1.762 2.221 ( 0.770 0.000 -2.639) 2.750 2.232 ( 1.720 0.000 0.643) 1.836 2.252 ( 4.382 0.000 -0.575) 4.420 2.282 ( 0.437 0.000 -2.757) 2.791 2.322 ( -1.914 0.000 2.511) 3.157 2.368 ( -5.710 0.000 0.478) 5.730 2.457 ( 4.107 0.000 -0.684) 4.164 2.468 ( -0.619 0.000 1.103) 1.265 2.509 ( -0.724 0.000 1.727) 1.873 2.530 ( -1.419 0.000 -0.801) 1.629 2.560 ( 0.266 0.000 1.187) 1.217 2.610 ( 4.024 0.000 -1.043) 4.157 2.622 ( 3.148 0.000 2.996) 4.346 2.662 ( -0.200 0.000 -1.436) 1.450 2.717 ( 1.951 0.000 -3.209) 3.756 2.721 ( 2.341 0.000 -0.383) 2.373 2.768 ( -0.571 0.000 -0.193) 0.602 2.824 ( 1.904 0.000 0.161) 1.910 2.947 ( -2.823 0.000 3.920) 4.831 3.097 ( 0.555 0.000 0.614) 0.828 3.206 ( -5.107 0.000 -5.576) 7.562 3.220 ( -1.909 0.000 -0.942) 2.129 3.306 ( 0.025 0.000 -0.218) 0.220 3.365 ( 9.356 0.000 2.528) 9.691 3.367 ( 2.465 0.000 3.405) 4.204 3.463 ( -2.042 0.000 -2.423) 3.169 3.622 ( -2.471 0.000 2.130) 3.263 3.655 ( -4.228 0.000 -0.623) 4.274 3.770 ( 0.481 0.000 -0.454) 0.661 3.888 ( 1.749 0.000 -1.580) 2.357 3.975 ( 0.852 0.000 3.017) 3.135 4.192 ( 7.654 0.000 -1.502) 7.800 4.261 ( -3.934 0.000 -0.198) 3.939 4.364 ( 0.718 0.000 -1.380) 1.556 4.527 ( -3.190 0.000 4.855) 5.809 4.765 ( 3.776 0.000 -2.036) 4.290 5.084 ( 4.738 0.000 2.043) 5.160 5.117 ( 0.201 0.000 -3.292) 3.298 5.357 ( -1.330 0.000 2.076) 2.465 5.434 ( 2.326 0.000 0.159) 2.332 7.162 ( -2.856 0.000 1.181) 3.091 7.283 ( 0.980 0.000 -1.687) 1.951 7.908 ( 1.486 0.000 4.744) 4.971 8.023 ( -0.490 0.000 -4.160) 4.188 8.543 ( 2.135 0.000 3.896) 4.443 8.627 ( -3.278 0.000 -3.709) 4.950 9.258 ( 4.022 0.000 1.367) 4.248 9.296 ( -2.097 0.000 -4.679) 5.127 10.010 ( 2.467 0.000 0.105) 2.469 10.116 ( -1.364 0.000 -8.191) 8.303 10.343 ( 0.815 0.000 5.495) 5.555 10.426 ( 0.601 0.000 -1.596) 1.706 10.548 ( 2.320 0.000 -1.317) 2.668 10.823 ( 2.627 0.000 -11.131) 11.437 11.030 ( -1.893 0.000 13.044) 13.181 11.134 ( -2.344 0.000 4.015) 4.649 11.786 ( -6.759 0.000 3.416) 7.573 11.859 ( -4.431 0.000 -6.561) 7.917 12.112 ( 5.589 0.000 -1.424) 5.768 12.200 ( 1.614 0.000 -4.454) 4.737 12.284 ( -2.151 0.000 5.573) 5.974 12.345 ( -4.751 0.000 -2.599) 5.415 12.454 ( -1.570 0.000 2.105) 2.626 12.528 ( 6.475 0.000 -2.036) 6.788 12.748 ( -8.833 0.000 7.615) 11.662 12.790 ( -2.453 0.000 4.238) 4.896 12.871 ( -8.118 0.000 -0.891) 8.167 12.946 ( 5.935 0.000 8.975) 10.760 13.075 ( 5.587 0.000 -1.689) 5.836 13.097 ( 2.368 0.000 -5.339) 5.841 13.183 ( 6.339 0.000 -5.716) 8.536 13.229 ( -2.047 0.000 -7.965) 8.224 13.605 ( -0.292 0.000 6.156) 6.163 13.742 ( -2.271 0.000 -2.552) 3.416 14.003 ( 0.080 0.000 2.164) 2.165 14.048 ( 3.181 0.000 1.420) 3.483 14.282 ( -1.581 0.000 -1.446) 2.143 14.316 ( -5.248 0.000 2.969) 6.029 14.326 ( 0.556 0.000 -2.998) 3.049 14.466 ( 2.836 0.000 1.277) 3.110 14.720 ( -1.689 0.000 0.668) 1.816 14.764 ( -3.121 0.000 -0.486) 3.159 14.960 ( -1.076 0.000 -1.194) 1.607 15.025 ( 7.935 0.000 0.528) 7.953 15.449 ( -4.875 0.000 -1.654) 5.148 15.488 ( 3.387 0.000 2.626) 4.286 15.928 ( 7.186 0.000 4.631) 8.549 15.990 ( -1.910 0.000 -5.435) 5.760 ======================= Grid point 69 (27/76) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -11.830 0.000 -1.951) 11.990 0.868 ( -13.219 0.000 -3.812) 13.758 1.029 ( 0.291 0.000 9.964) 9.968 1.103 ( -5.782 0.000 6.220) 8.492 1.124 ( -0.784 0.000 0.113) 0.792 1.144 ( -0.767 0.000 -2.296) 2.420 1.166 ( -1.277 0.000 1.409) 1.902 1.307 ( 2.523 0.000 -0.077) 2.524 1.342 ( -0.432 0.000 -0.757) 0.872 1.398 ( -2.711 0.000 -0.973) 2.880 1.423 ( -4.730 0.000 -2.768) 5.480 1.512 ( -3.264 0.000 -2.290) 3.987 1.544 ( -3.849 0.000 0.935) 3.961 1.583 ( -0.952 0.000 0.645) 1.150 1.587 ( 2.474 0.000 -2.413) 3.456 1.618 ( -7.717 0.000 -1.522) 7.865 1.652 ( -2.557 0.000 -0.780) 2.674 1.686 ( -0.361 0.000 -2.130) 2.160 1.709 ( -7.731 0.000 -0.896) 7.783 1.765 ( -5.551 0.000 2.290) 6.004 1.784 ( -4.186 0.000 -0.136) 4.188 1.798 ( -3.274 0.000 0.897) 3.394 1.859 ( -2.515 0.000 0.754) 2.625 1.897 ( -2.597 0.000 -0.422) 2.631 1.951 ( -0.169 0.000 2.332) 2.338 1.976 ( -3.154 0.000 -4.424) 5.433 2.048 ( -7.618 0.000 0.019) 7.618 2.078 ( -1.637 0.000 0.401) 1.686 2.090 ( 1.370 0.000 0.481) 1.452 2.118 ( 1.671 0.000 3.686) 4.047 2.124 ( 2.124 0.000 0.902) 2.307 2.160 ( 1.046 0.000 -0.634) 1.223 2.218 ( -0.400 0.000 3.377) 3.400 2.238 ( -1.278 0.000 -2.744) 3.027 2.291 ( -0.687 0.000 0.196) 0.715 2.310 ( 2.773 0.000 -1.817) 3.316 2.324 ( 3.415 0.000 -2.334) 4.136 2.341 ( 1.875 0.000 2.799) 3.369 2.481 ( -0.095 0.000 2.585) 2.587 2.511 ( 0.410 0.000 -2.790) 2.820 2.523 ( 1.530 0.000 1.150) 1.914 2.525 ( 2.008 0.000 -1.996) 2.831 2.568 ( 0.102 0.000 3.500) 3.502 2.614 ( -0.678 0.000 -0.371) 0.772 2.677 ( 2.452 0.000 -3.468) 4.247 2.711 ( 2.116 0.000 3.471) 4.065 2.751 ( 3.828 0.000 -2.262) 4.446 2.768 ( 3.142 0.000 -0.342) 3.160 2.776 ( 2.202 0.000 -1.190) 2.503 2.884 ( 3.786 0.000 -1.297) 4.002 2.939 ( -1.066 0.000 3.927) 4.069 3.030 ( -3.199 0.000 -1.820) 3.680 3.157 ( -2.953 0.000 -0.771) 3.052 3.187 ( 4.482 0.000 -2.574) 5.168 3.321 ( 0.379 0.000 1.369) 1.420 3.402 ( -1.176 0.000 -2.640) 2.890 3.454 ( 0.803 0.000 4.372) 4.445 3.535 ( -6.207 0.000 3.944) 7.354 3.566 ( -2.500 0.000 0.114) 2.503 3.581 ( 6.079 0.000 0.410) 6.092 3.772 ( 0.409 0.000 -1.394) 1.453 3.868 ( -0.468 0.000 -0.976) 1.082 4.017 ( 2.345 0.000 -5.070) 5.586 4.198 ( -4.909 0.000 4.227) 6.478 4.217 ( 1.040 0.000 -4.992) 5.099 4.495 ( -1.107 0.000 9.178) 9.245 4.529 ( 8.801 0.000 -1.796) 8.982 4.821 ( 3.525 0.000 -1.469) 3.819 5.124 ( 3.610 0.000 -3.229) 4.844 5.236 ( 8.836 0.000 1.968) 9.053 5.350 ( -0.622 0.000 1.195) 1.347 5.490 ( 3.793 0.000 -0.926) 3.905 7.101 ( -4.318 0.000 0.934) 4.418 7.271 ( -0.722 0.000 -1.365) 1.544 7.989 ( 1.271 0.000 -5.718) 5.857 8.002 ( 2.942 0.000 7.869) 8.401 8.531 ( -3.473 0.000 -2.739) 4.423 8.624 ( 2.162 0.000 4.438) 4.936 9.227 ( -0.912 0.000 -3.966) 4.070 9.367 ( 5.724 0.000 0.653) 5.761 10.038 ( -0.160 0.000 -5.698) 5.700 10.071 ( 2.265 0.000 2.309) 3.235 10.408 ( 0.489 0.000 -4.381) 4.409 10.411 ( 1.271 0.000 6.157) 6.287 10.586 ( 3.723 0.000 -4.002) 5.466 10.769 ( 1.250 0.000 -9.560) 9.642 11.106 ( -2.064 0.000 12.790) 12.955 11.119 ( -2.061 0.000 2.307) 3.094 11.694 ( -6.878 0.000 6.155) 9.230 11.704 ( -6.794 0.000 -3.419) 7.606 12.164 ( -0.019 0.000 -1.249) 1.249 12.167 ( -1.217 0.000 -6.863) 6.970 12.223 ( -5.511 0.000 1.920) 5.836 12.232 ( -2.639 0.000 -3.226) 4.167 12.405 ( -3.036 0.000 -3.224) 4.429 12.540 ( -10.981 0.000 -0.872) 11.015 12.627 ( 0.748 0.000 0.405) 0.851 12.744 ( -6.076 0.000 4.748) 7.711 12.862 ( 2.719 0.000 6.166) 6.739 13.041 ( 0.997 0.000 4.265) 4.380 13.104 ( 2.618 0.000 -5.396) 5.998 13.215 ( 3.797 0.000 -2.823) 4.732 13.215 ( 4.955 0.000 0.050) 4.955 13.310 ( 11.674 0.000 0.694) 11.695 13.644 ( -0.518 0.000 4.927) 4.954 13.659 ( -2.871 0.000 -2.633) 3.895 14.006 ( -1.125 0.000 0.423) 1.202 14.083 ( 1.134 0.000 -4.234) 4.384 14.232 ( -5.227 0.000 2.716) 5.890 14.275 ( 0.827 0.000 2.331) 2.474 14.327 ( 1.673 0.000 -2.455) 2.971 14.425 ( -5.717 0.000 -1.751) 5.979 14.667 ( -5.951 0.000 -0.197) 5.954 14.756 ( 3.753 0.000 -0.856) 3.849 14.945 ( -0.446 0.000 2.470) 2.510 15.213 ( 9.404 0.000 -0.046) 9.404 15.358 ( -2.713 0.000 -0.951) 2.875 15.600 ( 4.753 0.000 5.544) 7.303 15.916 ( 0.278 0.000 -8.459) 8.463 16.121 ( 8.445 0.000 4.299) 9.476 ======================= Grid point 70 (28/76) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -12.138 0.000 -2.353) 12.364 0.569 ( -14.955 0.000 -2.793) 15.214 0.984 ( -7.499 0.000 1.904) 7.737 1.031 ( -7.620 0.000 -0.641) 7.646 1.067 ( -5.679 0.000 0.114) 5.680 1.096 ( -6.400 0.000 -1.187) 6.510 1.173 ( -13.417 0.000 4.825) 14.259 1.210 ( -6.334 0.000 1.469) 6.502 1.268 ( -3.207 0.000 -2.061) 3.812 1.282 ( -6.025 0.000 -1.201) 6.143 1.318 ( -1.773 0.000 0.501) 1.842 1.421 ( 2.361 0.000 3.049) 3.857 1.451 ( -1.886 0.000 -2.001) 2.750 1.498 ( -9.956 0.000 -4.302) 10.846 1.551 ( -0.471 0.000 -0.615) 0.775 1.589 ( -7.189 0.000 -1.625) 7.371 1.590 ( -3.237 0.000 0.611) 3.294 1.631 ( 2.261 0.000 0.172) 2.267 1.656 ( -2.499 0.000 -0.705) 2.596 1.669 ( -1.860 0.000 0.449) 1.913 1.720 ( -1.222 0.000 0.942) 1.543 1.763 ( -0.292 0.000 0.389) 0.487 1.851 ( -0.372 0.000 1.490) 1.536 1.857 ( -3.076 0.000 2.403) 3.904 1.870 ( -3.908 0.000 -3.175) 5.036 1.956 ( -0.595 0.000 -1.275) 1.407 2.000 ( 2.869 0.000 2.071) 3.538 2.084 ( 1.322 0.000 -1.074) 1.703 2.111 ( 0.989 0.000 -1.196) 1.552 2.166 ( 0.723 0.000 1.617) 1.772 2.171 ( 0.874 0.000 0.856) 1.223 2.179 ( 0.107 0.000 0.428) 0.441 2.206 ( -0.398 0.000 -0.508) 0.645 2.262 ( 0.299 0.000 8.655) 8.660 2.291 ( 1.242 0.000 2.524) 2.813 2.362 ( 3.901 0.000 -2.854) 4.833 2.372 ( 1.996 0.000 -1.509) 2.502 2.405 ( 4.045 0.000 0.123) 4.047 2.468 ( -0.539 0.000 -3.084) 3.130 2.472 ( -1.500 0.000 -1.651) 2.231 2.546 ( 1.300 0.000 -0.547) 1.410 2.558 ( 0.821 0.000 0.995) 1.290 2.614 ( 1.546 0.000 2.455) 2.902 2.632 ( 1.788 0.000 0.589) 1.883 2.679 ( 1.429 0.000 -3.028) 3.348 2.739 ( -0.334 0.000 1.515) 1.551 2.796 ( 0.496 0.000 -1.385) 1.471 2.802 ( 2.536 0.000 -2.264) 3.399 2.871 ( 5.534 0.000 3.386) 6.488 2.900 ( 0.655 0.000 -2.736) 2.813 2.986 ( 1.506 0.000 3.228) 3.562 3.015 ( 1.886 0.000 -0.856) 2.071 3.109 ( -1.763 0.000 -0.076) 1.765 3.248 ( 3.695 0.000 -2.656) 4.551 3.320 ( -2.521 0.000 1.126) 2.761 3.364 ( -1.445 0.000 -0.663) 1.590 3.382 ( -7.181 0.000 -2.910) 7.748 3.443 ( -0.942 0.000 1.505) 1.775 3.615 ( 2.864 0.000 3.301) 4.370 3.682 ( 0.666 0.000 3.114) 3.185 3.770 ( 1.372 0.000 -0.911) 1.647 3.860 ( 0.090 0.000 -0.440) 0.449 3.984 ( 0.628 0.000 -7.262) 7.289 4.137 ( -6.030 0.000 5.750) 8.332 4.207 ( 2.708 0.000 -6.152) 6.722 4.474 ( -2.791 0.000 2.355) 3.652 4.727 ( 6.348 0.000 3.904) 7.452 4.870 ( 2.399 0.000 -0.502) 2.451 5.199 ( 6.556 0.000 -1.958) 6.842 5.371 ( 1.769 0.000 1.882) 2.583 5.424 ( 9.054 0.000 0.577) 9.073 5.556 ( 4.696 0.000 -3.065) 5.608 7.027 ( -4.379 0.000 1.716) 4.703 7.240 ( -1.134 0.000 -1.388) 1.792 7.968 ( 1.987 0.000 -6.536) 6.831 8.161 ( 5.286 0.000 11.059) 12.258 8.462 ( -2.648 0.000 0.743) 2.750 8.686 ( 0.591 0.000 3.511) 3.561 9.202 ( -0.176 0.000 0.882) 0.900 9.462 ( 3.934 0.000 0.467) 3.962 10.017 ( 1.173 0.000 -1.565) 1.955 10.117 ( -0.171 0.000 3.314) 3.319 10.374 ( 0.890 0.000 -6.783) 6.841 10.490 ( 2.963 0.000 1.029) 3.136 10.614 ( 2.657 0.000 -3.155) 4.125 10.715 ( 0.581 0.000 -6.019) 6.047 11.103 ( -1.061 0.000 1.831) 2.116 11.164 ( -2.299 0.000 9.940) 10.203 11.575 ( -5.080 0.000 1.307) 5.246 11.642 ( -4.915 0.000 8.245) 9.599 12.031 ( -10.186 0.000 0.185) 10.187 12.039 ( -2.796 0.000 -11.130) 11.476 12.195 ( 0.337 0.000 -2.422) 2.446 12.209 ( 0.283 0.000 -2.556) 2.571 12.284 ( -10.026 0.000 -2.623) 10.363 12.316 ( -2.195 0.000 -3.680) 4.285 12.655 ( 0.729 0.000 -0.112) 0.738 12.690 ( -7.184 0.000 8.752) 11.323 12.932 ( 0.222 0.000 4.623) 4.629 13.084 ( 0.322 0.000 0.290) 0.433 13.121 ( 3.085 0.000 -4.273) 5.270 13.221 ( 3.142 0.000 -4.530) 5.513 13.362 ( 4.996 0.000 7.299) 8.846 13.535 ( 9.090 0.000 3.476) 9.732 13.630 ( 1.434 0.000 -0.752) 1.619 13.680 ( 1.831 0.000 2.117) 2.799 13.966 ( -2.144 0.000 -2.216) 3.084 14.032 ( -0.635 0.000 -7.850) 7.876 14.170 ( -3.880 0.000 3.348) 5.125 14.289 ( -3.535 0.000 -4.257) 5.534 14.336 ( 0.901 0.000 3.027) 3.159 14.346 ( 1.483 0.000 -0.609) 1.603 14.547 ( -6.438 0.000 -0.117) 6.439 14.725 ( -3.561 0.000 -5.619) 6.652 15.049 ( 4.950 0.000 9.971) 11.132 15.252 ( -1.538 0.000 -2.410) 2.859 15.430 ( 7.417 0.000 0.465) 7.432 15.753 ( 5.399 0.000 5.520) 7.721 15.848 ( 0.581 0.000 -9.213) 9.231 16.301 ( 7.101 0.000 2.083) 7.401 ======================= Grid point 71 (29/76) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( -9.880 0.000 3.978) 10.651 0.278 ( -13.580 0.000 2.172) 13.753 0.683 ( -27.173 0.000 9.687) 28.848 0.785 ( -9.690 0.000 -6.270) 11.542 0.870 ( -4.611 0.000 -2.900) 5.447 0.957 ( -8.054 0.000 3.581) 8.815 1.069 ( -3.822 0.000 2.401) 4.513 1.173 ( -3.459 0.000 0.149) 3.462 1.236 ( -0.075 0.000 1.370) 1.372 1.254 ( -0.378 0.000 -0.181) 0.419 1.293 ( -1.910 0.000 2.639) 3.258 1.312 ( -4.472 0.000 -3.122) 5.454 1.418 ( -0.936 0.000 0.233) 0.965 1.458 ( -2.679 0.000 -2.679) 3.789 1.493 ( -4.046 0.000 1.626) 4.361 1.507 ( 3.609 0.000 0.168) 3.613 1.574 ( 0.637 0.000 -2.324) 2.410 1.588 ( -3.328 0.000 0.064) 3.329 1.637 ( -0.241 0.000 -2.744) 2.755 1.647 ( 1.158 0.000 -1.460) 1.864 1.747 ( 0.218 0.000 -0.500) 0.545 1.761 ( -1.034 0.000 0.134) 1.043 1.780 ( -0.963 0.000 -1.301) 1.619 1.843 ( -2.403 0.000 3.922) 4.600 1.848 ( -1.314 0.000 0.700) 1.489 1.966 ( 1.363 0.000 0.825) 1.593 2.057 ( 1.785 0.000 -0.957) 2.026 2.086 ( 0.057 0.000 -1.614) 1.615 2.109 ( 0.166 0.000 -1.452) 1.462 2.153 ( -0.842 0.000 -2.028) 2.196 2.174 ( 0.091 0.000 -1.157) 1.161 2.194 ( 0.111 0.000 0.673) 0.682 2.215 ( 0.498 0.000 2.468) 2.518 2.351 ( 0.643 0.000 -0.118) 0.654 2.360 ( 2.535 0.000 2.078) 3.277 2.367 ( -0.246 0.000 -2.241) 2.255 2.389 ( -0.319 0.000 -1.005) 1.055 2.445 ( 1.744 0.000 6.496) 6.726 2.449 ( 1.717 0.000 -2.122) 2.730 2.501 ( 4.428 0.000 -0.057) 4.429 2.575 ( 1.680 0.000 0.645) 1.800 2.575 ( 0.127 0.000 1.096) 1.103 2.640 ( -0.139 0.000 -1.545) 1.551 2.656 ( 0.938 0.000 -0.016) 0.938 2.718 ( 2.675 0.000 0.977) 2.848 2.737 ( -0.703 0.000 -0.362) 0.791 2.782 ( -1.574 0.000 -2.627) 3.062 2.785 ( -0.620 0.000 0.495) 0.793 2.888 ( 0.826 0.000 -3.455) 3.552 2.994 ( 3.130 0.000 2.566) 4.047 3.021 ( -1.048 0.000 -1.993) 2.252 3.027 ( -0.000 0.000 2.430) 2.430 3.084 ( -0.324 0.000 -0.513) 0.607 3.251 ( -3.917 0.000 -2.644) 4.726 3.257 ( -2.778 0.000 -1.293) 3.064 3.288 ( 2.976 0.000 -0.806) 3.083 3.348 ( -0.876 0.000 0.845) 1.217 3.456 ( 0.496 0.000 -0.119) 0.510 3.671 ( 0.499 0.000 1.238) 1.335 3.674 ( -1.378 0.000 -0.218) 1.395 3.810 ( 1.518 0.000 1.580) 2.191 3.861 ( 0.386 0.000 -0.240) 0.454 3.945 ( 0.120 0.000 -2.325) 2.328 4.080 ( -4.230 0.000 5.476) 6.920 4.204 ( 3.054 0.000 -7.367) 7.975 4.436 ( -2.649 0.000 0.520) 2.700 4.814 ( 0.990 0.000 1.576) 1.861 4.897 ( 0.914 0.000 -1.739) 1.965 5.326 ( 6.286 0.000 1.388) 6.438 5.438 ( 2.044 0.000 3.461) 4.020 5.566 ( 5.714 0.000 -1.114) 5.821 5.614 ( 4.380 0.000 -2.312) 4.952 6.978 ( -2.812 0.000 3.435) 4.439 7.210 ( -0.519 0.000 -1.633) 1.713 7.957 ( 2.821 0.000 -5.910) 6.549 8.338 ( 3.130 0.000 -3.139) 4.433 8.451 ( -1.166 0.000 5.356) 5.482 8.712 ( -0.240 0.000 3.682) 3.689 9.238 ( 0.156 0.000 7.429) 7.431 9.649 ( 15.116 0.000 18.004) 23.508 10.045 ( 1.085 0.000 2.093) 2.358 10.129 ( -1.565 0.000 3.952) 4.251 10.324 ( 1.033 0.000 -5.432) 5.530 10.518 ( 3.424 0.000 -7.844) 8.558 10.639 ( 0.312 0.000 1.778) 1.805 10.708 ( 1.926 0.000 -0.337) 1.956 11.149 ( 5.280 0.000 3.731) 6.465 11.178 ( -3.407 0.000 5.271) 6.276 11.537 ( -2.569 0.000 4.028) 4.778 11.640 ( -3.707 0.000 6.819) 7.762 11.816 ( -8.011 0.000 -4.260) 9.073 11.913 ( 2.141 0.000 -12.569) 12.750 12.099 ( -5.353 0.000 2.287) 5.821 12.204 ( 1.559 0.000 1.063) 1.887 12.254 ( 1.749 0.000 2.229) 2.834 12.276 ( 0.158 0.000 -0.908) 0.921 12.595 ( -9.548 0.000 6.112) 11.337 12.652 ( 0.059 0.000 -1.481) 1.482 13.010 ( 2.750 0.000 5.038) 5.740 13.054 ( -0.519 0.000 -3.145) 3.188 13.130 ( 3.101 0.000 2.509) 3.988 13.302 ( 6.147 0.000 -0.659) 6.182 13.445 ( -2.103 0.000 3.771) 4.318 13.667 ( 0.433 0.000 2.659) 2.694 13.690 ( 5.423 0.000 -1.972) 5.771 13.771 ( 3.833 0.000 1.510) 4.120 13.906 ( -1.596 0.000 -0.876) 1.821 13.930 ( -0.819 0.000 -9.648) 9.683 14.144 ( -2.221 0.000 3.779) 4.384 14.210 ( -1.626 0.000 -2.111) 2.664 14.325 ( -4.827 0.000 -3.861) 6.181 14.350 ( -2.243 0.000 0.115) 2.246 14.441 ( -2.715 0.000 -0.594) 2.780 14.601 ( -3.557 0.000 -2.421) 4.303 15.213 ( -0.345 0.000 -1.521) 1.559 15.262 ( 7.318 0.000 9.261) 11.803 15.544 ( 4.416 0.000 -1.087) 4.548 15.718 ( -3.450 0.000 -14.606) 15.008 15.901 ( 2.291 0.000 6.339) 6.741 16.407 ( 3.281 0.000 -1.457) 3.590 ======================= Grid point 72 (30/76) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.196 ( 2.918 7.656 3.642) 8.966 0.345 ( -3.175 7.015 8.375) 11.377 0.674 ( -4.781 -2.043 -9.440) 10.778 0.703 ( 2.286 2.195 -5.398) 6.259 0.875 ( 3.910 19.285 8.344) 21.374 0.913 ( -2.024 5.931 3.790) 7.324 1.061 ( 2.156 -0.041 6.742) 7.079 1.137 ( 1.632 -3.925 0.335) 4.264 1.176 ( -0.763 -2.209 0.443) 2.379 1.201 ( 0.116 -2.877 0.431) 2.911 1.252 ( 0.207 -2.421 -1.033) 2.640 1.290 ( -0.801 0.831 2.007) 2.315 1.391 ( -0.571 -3.526 -1.688) 3.950 1.428 ( -0.275 -6.154 -0.597) 6.189 1.449 ( 0.056 -1.506 1.190) 1.921 1.467 ( -0.270 0.658 0.820) 1.085 1.516 ( 2.013 -2.515 -1.256) 3.458 1.580 ( 0.119 -0.257 -2.315) 2.332 1.610 ( 0.038 -0.386 -2.868) 2.894 1.634 ( -0.604 -1.532 -1.797) 2.437 1.674 ( 0.854 -1.929 -0.539) 2.177 1.735 ( -0.886 0.623 -3.220) 3.398 1.774 ( -1.662 -0.239 2.373) 2.907 1.849 ( 0.457 0.538 0.271) 0.756 1.855 ( 0.211 1.336 4.880) 5.064 1.971 ( 0.803 -1.981 0.410) 2.176 2.005 ( -1.677 1.153 -0.785) 2.181 2.077 ( -2.008 -5.341 1.354) 5.864 2.105 ( -0.249 1.025 -2.290) 2.521 2.144 ( -0.134 0.670 -0.980) 1.195 2.162 ( 0.740 -0.661 0.938) 1.366 2.181 ( -1.063 -1.310 -0.246) 1.705 2.211 ( 1.768 3.239 -0.778) 3.771 2.294 ( -0.249 -0.930 -0.206) 0.984 2.338 ( 1.114 -2.054 0.353) 2.363 2.390 ( -1.227 1.129 1.405) 2.181 2.417 ( -0.595 2.094 -3.088) 3.778 2.504 ( 0.859 -0.473 -2.910) 3.071 2.544 ( -0.533 -1.958 0.455) 2.080 2.554 ( 0.107 -0.414 -0.738) 0.853 2.575 ( 0.213 -1.213 0.607) 1.373 2.604 ( 1.268 1.252 2.133) 2.779 2.629 ( -2.846 1.564 0.841) 3.354 2.646 ( 1.228 0.177 -0.945) 1.560 2.686 ( 0.007 -1.415 0.106) 1.419 2.729 ( -1.178 1.255 -1.304) 2.159 2.813 ( 3.377 3.043 2.436) 5.157 2.822 ( -1.212 -1.131 0.327) 1.690 2.860 ( -1.840 2.138 2.388) 3.695 2.993 ( 0.728 1.775 -3.256) 3.779 3.027 ( -1.942 2.876 -1.441) 3.758 3.078 ( 1.582 1.164 0.256) 1.981 3.096 ( -0.731 -2.200 1.612) 2.824 3.149 ( 1.020 -2.010 0.468) 2.302 3.214 ( -0.822 0.426 -0.386) 1.003 3.300 ( 1.879 -2.824 -2.675) 4.320 3.373 ( 0.928 1.199 1.940) 2.462 3.479 ( -0.128 1.893 -2.271) 2.959 3.592 ( 2.991 -5.771 2.217) 6.867 3.732 ( -5.626 -0.085 2.174) 6.032 3.786 ( -2.133 0.471 -1.558) 2.683 3.868 ( 0.803 1.119 0.579) 1.494 3.882 ( -0.262 -2.199 0.766) 2.343 3.978 ( 3.288 -6.061 -1.725) 7.108 4.293 ( 1.871 0.466 0.944) 2.147 4.414 ( -1.457 1.572 -1.073) 2.397 4.817 ( -0.908 -3.033 -0.036) 3.166 4.853 ( -0.074 2.392 -1.306) 2.727 5.365 ( 0.070 -3.799 3.659) 5.275 5.482 ( -0.720 1.301 1.219) 1.922 5.643 ( 1.614 -0.355 -2.090) 2.664 5.664 ( -0.276 0.361 -1.177) 1.261 6.975 ( -0.152 -0.238 4.141) 4.150 7.152 ( 0.481 -3.682 -2.032) 4.233 7.964 ( -0.985 -3.311 -1.940) 3.962 8.023 ( -1.954 -4.290 -5.970) 7.607 8.635 ( -1.853 9.537 6.394) 11.631 8.774 ( -0.315 4.941 3.734) 6.201 9.368 ( 0.706 2.273 8.165) 8.505 9.741 ( -0.978 -12.654 0.884) 12.723 10.077 ( -0.565 -0.190 3.271) 3.325 10.154 ( -1.268 1.131 4.526) 4.834 10.365 ( 3.535 -0.386 -3.390) 4.913 10.516 ( 2.007 0.913 -12.470) 12.663 10.689 ( -0.033 0.957 -1.708) 1.958 10.851 ( 4.541 4.580 -0.147) 6.451 11.073 ( -3.456 -3.307 5.813) 7.528 11.166 ( -2.020 -4.048 2.007) 4.949 11.499 ( -5.207 1.157 -3.358) 6.303 11.544 ( -2.391 2.281 -1.031) 3.462 11.762 ( 1.009 -2.565 6.572) 7.127 11.956 ( 3.957 -7.606 4.637) 9.747 12.054 ( 7.099 6.306 -9.408) 13.367 12.227 ( -1.155 -2.786 -0.058) 3.016 12.354 ( -0.921 4.452 5.179) 6.891 12.456 ( -4.051 1.433 2.323) 4.885 12.545 ( -0.139 9.123 -2.193) 9.384 12.606 ( -1.717 1.874 -4.152) 4.868 12.960 ( -1.388 -0.458 4.835) 5.051 13.039 ( -0.432 -0.833 -1.919) 2.137 13.273 ( 8.184 -14.096 7.790) 18.066 13.381 ( -1.113 -5.299 0.296) 5.423 13.465 ( 0.067 2.268 3.117) 3.855 13.598 ( -2.427 -5.583 0.255) 6.093 13.702 ( -3.554 1.192 -3.629) 5.217 13.748 ( 1.531 3.300 -6.385) 7.349 13.838 ( 0.543 -3.557 3.035) 4.707 13.986 ( 3.871 0.686 1.281) 4.135 14.133 ( 1.610 1.449 3.058) 3.747 14.206 ( -0.609 1.017 -0.045) 1.186 14.238 ( 1.164 5.799 -1.055) 6.008 14.301 ( 1.852 -2.804 -3.351) 4.746 14.472 ( -1.867 -0.440 3.358) 3.867 14.616 ( 0.346 7.362 -4.286) 8.526 14.973 ( -0.639 -1.920 10.937) 11.123 15.294 ( -3.803 -8.701 -5.923) 11.192 15.527 ( 1.387 -7.761 -4.306) 8.983 15.613 ( -4.113 -2.959 -5.791) 7.694 16.281 ( 5.163 20.104 -2.480) 20.904 16.474 ( -2.150 7.379 -4.503) 8.908 ======================= Grid point 73 (31/76) ======================= q-point: ( 0.11 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 8.685 0.983 8.969) 12.524 0.486 ( 9.959 0.632 5.096) 11.205 0.545 ( 1.109 -2.819 -7.868) 8.431 0.747 ( 6.677 2.941 -7.314) 10.331 0.994 ( 7.085 1.094 2.206) 7.500 1.044 ( 5.761 6.146 0.923) 8.474 1.166 ( 0.629 -5.152 3.472) 6.244 1.195 ( 3.537 0.878 -1.123) 3.814 1.233 ( 3.106 -1.491 -0.479) 3.479 1.245 ( 7.522 0.022 2.597) 7.958 1.277 ( 5.073 4.438 1.259) 6.857 1.318 ( 1.852 -2.318 1.711) 3.425 1.373 ( -0.429 -3.050 1.151) 3.288 1.437 ( 0.543 -1.979 0.039) 2.053 1.471 ( 3.157 -5.993 -1.172) 6.874 1.500 ( -0.033 -1.089 -0.501) 1.199 1.539 ( 2.776 -0.244 -4.003) 4.877 1.547 ( 2.246 -2.789 1.352) 3.828 1.609 ( 2.607 -0.238 -3.219) 4.149 1.643 ( 1.480 0.799 0.591) 1.783 1.680 ( 0.255 -1.322 -0.754) 1.543 1.723 ( 2.428 1.259 -1.814) 3.282 1.767 ( -0.801 0.864 1.631) 2.012 1.845 ( -1.149 -1.156 2.221) 2.755 1.913 ( 1.808 5.923 0.825) 6.247 1.950 ( -2.084 0.113 -0.110) 2.090 2.005 ( -0.965 -2.200 2.643) 3.572 2.030 ( -1.199 -4.019 0.045) 4.194 2.093 ( 0.212 0.075 -0.138) 0.264 2.129 ( 0.267 0.838 -2.154) 2.327 2.155 ( -0.646 1.153 -0.946) 1.626 2.190 ( 0.137 2.151 1.115) 2.426 2.253 ( 1.373 -1.141 1.212) 2.157 2.285 ( -0.683 -2.334 0.634) 2.513 2.345 ( -1.497 2.606 -1.255) 3.257 2.367 ( -0.968 1.289 1.687) 2.333 2.382 ( -0.361 -0.199 -1.468) 1.525 2.452 ( -3.722 -1.885 -2.995) 5.136 2.504 ( -4.075 -0.342 0.753) 4.158 2.542 ( -1.188 -2.964 -0.860) 3.307 2.562 ( -0.960 -0.392 0.300) 1.080 2.572 ( -1.427 -1.911 -0.059) 2.385 2.621 ( -1.151 0.033 -0.272) 1.184 2.676 ( 1.914 1.399 1.036) 2.587 2.694 ( -0.066 1.726 1.154) 2.077 2.723 ( 0.186 -0.933 -1.370) 1.668 2.806 ( -1.215 -1.819 0.616) 2.272 2.844 ( -0.805 1.326 2.317) 2.788 2.856 ( -1.440 -0.593 0.500) 1.636 2.944 ( -1.212 4.437 0.058) 4.600 3.019 ( -2.733 4.197 -3.568) 6.149 3.054 ( 2.483 -0.393 -2.052) 3.245 3.132 ( 0.065 -1.847 4.480) 4.847 3.206 ( 1.734 0.877 -0.533) 2.015 3.232 ( 4.455 -2.252 -0.205) 4.996 3.304 ( 1.049 -2.391 -3.452) 4.328 3.398 ( 0.090 0.352 1.500) 1.544 3.442 ( -1.737 2.350 -2.282) 3.708 3.615 ( -3.561 -3.402 0.111) 4.926 3.693 ( 2.836 2.192 2.665) 4.467 3.771 ( -0.438 -4.420 1.450) 4.672 3.863 ( -1.814 -2.944 0.030) 3.458 3.899 ( 1.638 2.304 0.259) 2.838 4.025 ( 4.024 -6.537 -3.659) 8.503 4.344 ( 0.240 3.512 0.777) 3.605 4.380 ( 0.640 1.742 -0.386) 1.895 4.775 ( -2.652 -2.685 0.210) 3.780 4.865 ( 1.204 2.149 -0.595) 2.534 5.340 ( -6.004 -4.585 4.422) 8.754 5.439 ( -4.458 -0.119 0.509) 4.488 5.569 ( -5.450 2.816 -2.805) 6.745 5.628 ( -3.044 -1.120 -1.313) 3.500 7.026 ( 1.300 -0.873 4.375) 4.647 7.157 ( 2.111 -2.762 -3.276) 4.777 7.900 ( -1.904 -0.777 -2.054) 2.906 8.022 ( 2.829 -4.307 -1.006) 5.251 8.681 ( -0.491 8.497 8.046) 11.712 8.772 ( -1.929 7.802 0.181) 8.038 9.444 ( -1.633 -0.891 10.905) 11.063 9.626 ( -6.390 -5.738 -4.175) 9.549 10.096 ( -0.685 -1.090 3.989) 4.191 10.166 ( -1.774 1.585 5.139) 5.663 10.373 ( 1.018 -3.913 -5.261) 6.635 10.417 ( -1.256 1.013 -11.230) 11.345 10.662 ( -0.349 0.156 -3.098) 3.121 10.893 ( 1.617 3.153 -3.265) 4.818 11.047 ( -4.830 3.219 6.495) 8.711 11.147 ( -1.198 1.295 2.285) 2.886 11.470 ( 1.290 2.039 4.303) 4.933 11.544 ( 4.324 0.646 0.983) 4.481 11.813 ( 2.433 -0.953 -1.194) 2.873 12.055 ( 4.721 -7.892 3.609) 9.879 12.145 ( -0.735 -4.023 -6.284) 7.498 12.229 ( 8.501 3.273 -3.935) 9.923 12.319 ( -4.481 1.366 5.311) 7.082 12.468 ( 1.736 -0.286 4.165) 4.522 12.512 ( 0.110 3.270 -4.178) 5.307 12.585 ( 1.227 9.884 -1.001) 10.010 12.984 ( -1.800 -1.220 2.077) 3.007 13.036 ( 0.259 -1.567 3.217) 3.587 13.249 ( -5.687 -1.959 -4.874) 7.741 13.353 ( -1.560 -3.041 2.094) 4.008 13.478 ( -5.144 -0.156 5.127) 7.264 13.548 ( -1.680 -5.472 -0.443) 5.741 13.648 ( -0.987 3.035 -1.561) 3.553 13.722 ( -0.179 2.131 0.189) 2.147 13.873 ( -0.376 -2.513 0.517) 2.593 14.055 ( 2.976 -5.894 -5.349) 8.498 14.110 ( -2.086 1.151 -0.067) 2.383 14.210 ( 0.978 2.826 0.479) 3.029 14.321 ( 2.834 -1.295 -2.910) 4.263 14.356 ( 6.028 -0.920 0.552) 6.123 14.485 ( 1.835 -0.310 2.682) 3.265 14.628 ( 3.529 4.774 -4.242) 7.296 15.046 ( -2.119 2.177 7.002) 7.633 15.215 ( 1.536 -8.254 1.249) 8.489 15.457 ( -4.843 -5.798 -2.086) 7.837 15.524 ( -2.191 -3.202 -3.998) 5.571 16.316 ( -2.172 12.012 3.915) 12.819 16.345 ( -5.367 8.214 -6.360) 11.693 ======================= Grid point 74 (32/76) ======================= q-point: ( 0.22 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 7.129 -2.777 -7.510) 10.721 0.643 ( 7.440 0.185 8.943) 11.635 0.768 ( 10.805 -0.628 4.938) 11.896 0.811 ( 7.815 6.946 -6.652) 12.393 1.088 ( 0.220 -2.095 -0.564) 2.181 1.129 ( 4.857 -2.153 -0.587) 5.345 1.188 ( -0.819 -4.901 2.488) 5.557 1.234 ( 0.962 -1.711 -2.135) 2.901 1.326 ( 3.142 -5.018 -3.879) 7.079 1.337 ( 7.414 -2.590 -0.906) 7.905 1.362 ( 2.701 -2.433 0.271) 3.645 1.385 ( 4.143 -3.460 3.083) 6.217 1.468 ( 1.578 -2.058 1.408) 2.951 1.490 ( 3.832 -4.281 0.397) 5.760 1.511 ( 4.802 3.069 0.855) 5.763 1.542 ( 5.995 -1.790 -1.126) 6.357 1.580 ( 5.101 1.727 -2.267) 5.843 1.643 ( 3.465 0.006 -1.889) 3.947 1.655 ( 5.096 -3.248 0.615) 6.074 1.687 ( 3.622 -0.870 -0.961) 3.847 1.695 ( 2.181 2.662 0.585) 3.491 1.771 ( 0.361 0.782 2.185) 2.349 1.803 ( 4.521 2.721 0.716) 5.324 1.849 ( 0.840 -2.423 2.159) 3.352 1.904 ( -1.624 -2.079 -1.433) 3.002 1.933 ( 0.138 4.483 -0.507) 4.513 2.007 ( 0.267 2.436 3.018) 3.887 2.044 ( 0.942 -2.320 0.201) 2.512 2.104 ( -1.158 -2.649 2.064) 3.552 2.111 ( -0.321 0.370 -0.942) 1.061 2.155 ( 1.419 0.052 -0.061) 1.421 2.202 ( 0.233 2.294 0.955) 2.496 2.252 ( -2.276 -1.935 -2.024) 3.608 2.261 ( -0.085 1.014 -2.650) 2.839 2.304 ( -1.612 -0.006 2.574) 3.037 2.340 ( -4.017 -0.032 -0.283) 4.027 2.364 ( -0.742 -2.594 -2.126) 3.435 2.406 ( 0.594 2.110 0.957) 2.392 2.412 ( -4.153 -0.646 1.321) 4.406 2.493 ( -3.160 -2.436 -0.297) 4.001 2.533 ( -2.599 -2.495 0.449) 3.630 2.573 ( -0.075 -1.995 0.814) 2.157 2.605 ( -0.618 -0.495 -0.863) 1.171 2.669 ( -1.818 0.529 -2.362) 3.027 2.687 ( 0.625 -0.736 0.332) 1.021 2.714 ( -2.250 -0.005 0.295) 2.270 2.771 ( -1.781 1.311 -1.897) 2.914 2.818 ( -2.234 -0.391 5.041) 5.528 2.851 ( -3.338 -0.338 0.563) 3.402 2.936 ( -2.807 0.989 -1.235) 3.222 2.953 ( 2.719 5.606 -0.126) 6.232 3.108 ( 3.347 0.177 -0.198) 3.358 3.146 ( -1.445 1.764 0.689) 2.382 3.209 ( 0.272 0.522 -0.925) 1.097 3.291 ( 1.710 -1.208 -1.482) 2.565 3.329 ( 3.909 -0.083 0.147) 3.913 3.376 ( -2.123 0.753 -1.809) 2.890 3.404 ( -0.963 -3.178 1.354) 3.586 3.590 ( 1.346 -0.901 -1.293) 2.072 3.763 ( 0.294 2.511 3.510) 4.326 3.772 ( -0.306 -6.103 -0.044) 6.111 3.828 ( -1.005 0.370 -0.136) 1.079 3.931 ( 1.134 2.368 0.371) 2.652 4.081 ( 4.996 -2.450 -2.065) 5.935 4.307 ( -0.978 2.575 -2.967) 4.048 4.431 ( 1.790 2.152 1.736) 3.294 4.714 ( -4.523 -3.534 0.493) 5.761 4.880 ( -0.050 2.610 1.194) 2.870 5.224 ( -8.747 -3.584 1.587) 9.585 5.329 ( -6.593 -2.240 -0.802) 7.010 5.440 ( -5.168 2.906 -0.821) 5.986 5.538 ( -4.752 0.686 -0.977) 4.900 7.084 ( 1.429 -1.912 2.629) 3.551 7.175 ( 2.531 -2.014 -2.689) 4.206 7.870 ( 0.071 2.083 -1.012) 2.317 8.064 ( 0.636 -6.415 1.452) 6.608 8.707 ( -2.838 9.909 -0.966) 10.352 8.740 ( -0.601 6.780 4.726) 8.287 9.458 ( -5.957 -2.491 -1.325) 6.591 9.484 ( -4.265 -1.942 4.466) 6.473 10.110 ( -1.336 -0.691 2.546) 2.957 10.176 ( -1.468 -0.681 3.606) 3.953 10.314 ( -0.212 1.263 -7.331) 7.442 10.343 ( 1.500 -1.331 -4.262) 4.710 10.621 ( -0.786 -0.227 -4.121) 4.202 10.884 ( 0.646 0.977 -2.356) 2.631 11.005 ( -3.798 7.422 3.464) 9.029 11.152 ( -0.495 2.652 1.942) 3.324 11.579 ( 2.881 0.466 9.663) 10.094 11.715 ( 8.478 -3.973 5.214) 10.717 11.877 ( 7.612 -0.711 -4.605) 8.925 12.054 ( 1.441 -4.424 -11.409) 12.321 12.172 ( 0.687 -6.193 6.823) 9.240 12.229 ( 0.110 -0.363 -3.886) 3.904 12.369 ( 4.963 6.468 -6.749) 10.584 12.475 ( 0.902 6.630 -2.065) 7.003 12.549 ( 0.540 -1.760 2.671) 3.244 12.665 ( 6.939 4.040 5.794) 9.902 12.948 ( -3.330 -2.649 1.969) 4.689 13.026 ( -3.448 -0.715 1.196) 3.718 13.185 ( 1.924 -0.620 -3.454) 4.002 13.305 ( -2.969 4.302 -2.693) 5.880 13.426 ( -4.042 -0.518 6.501) 7.672 13.478 ( -5.704 -6.310 1.567) 8.649 13.639 ( -4.989 4.901 1.578) 7.169 13.714 ( 1.251 2.172 1.738) 3.051 13.860 ( 0.762 -0.674 -4.221) 4.341 13.996 ( -0.796 -4.630 -4.795) 6.713 14.129 ( 2.060 -2.869 1.134) 3.710 14.226 ( 0.990 1.486 -0.798) 1.956 14.359 ( 3.373 -0.998 -1.156) 3.703 14.445 ( 3.004 2.610 -0.121) 3.981 14.581 ( 4.828 -0.393 2.818) 5.604 14.644 ( 1.829 1.343 -3.296) 4.001 15.038 ( -1.349 -3.204 1.773) 3.903 15.251 ( -4.095 -6.424 -1.130) 7.702 15.393 ( -1.589 -3.524 7.441) 8.385 15.433 ( -3.023 -3.826 -3.445) 5.970 16.157 ( -6.819 8.429 -6.625) 12.706 16.298 ( -4.526 7.514 4.442) 9.833 ======================= Grid point 75 (33/76) ======================= q-point: ( 0.33 0.17 -0.75) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 6.088 1.868 -1.083) 6.459 0.839 ( 6.230 -3.196 5.865) 9.134 0.887 ( 7.111 6.335 -2.722) 9.905 1.025 ( 9.038 -2.694 3.930) 10.217 1.082 ( 0.191 -5.041 -0.581) 5.078 1.174 ( -0.316 -3.993 -0.343) 4.020 1.194 ( 1.572 -0.060 0.588) 1.680 1.235 ( 0.582 -2.512 -0.086) 2.580 1.322 ( 1.014 -5.181 -3.062) 6.103 1.396 ( 1.749 -2.012 -0.560) 2.724 1.442 ( -0.801 -6.047 -1.174) 6.211 1.470 ( 1.716 -5.126 3.584) 6.486 1.492 ( 3.453 -1.449 0.157) 3.748 1.530 ( 2.113 -1.428 -0.635) 2.629 1.622 ( 4.961 -0.595 0.146) 4.999 1.629 ( 2.221 1.755 -2.334) 3.669 1.657 ( 2.087 -4.031 1.146) 4.682 1.682 ( 0.694 -1.409 -2.207) 2.709 1.712 ( 2.718 -2.170 -0.538) 3.519 1.765 ( 4.792 1.279 0.390) 4.975 1.790 ( 5.104 1.208 0.776) 5.303 1.820 ( -0.614 -1.040 2.029) 2.362 1.850 ( 5.803 -0.250 -0.475) 5.828 1.886 ( 2.927 -2.766 -0.209) 4.033 1.955 ( 2.162 2.619 -0.039) 3.396 1.968 ( 4.308 -0.319 0.100) 4.321 2.017 ( 0.435 3.412 0.239) 3.448 2.066 ( 0.192 0.221 -0.772) 0.825 2.095 ( 0.897 -4.817 0.130) 4.902 2.106 ( 0.831 -1.134 -0.429) 1.470 2.160 ( -1.388 1.634 -1.389) 2.554 2.168 ( -1.453 -1.935 -0.393) 2.451 2.222 ( 0.417 0.566 -0.005) 0.704 2.262 ( -1.882 -0.080 -0.572) 1.968 2.275 ( -1.854 -0.407 -0.354) 1.930 2.302 ( 0.272 -3.602 1.029) 3.756 2.337 ( -1.393 -3.629 0.465) 3.915 2.349 ( 0.204 0.858 -0.891) 1.254 2.431 ( -1.928 -2.472 -0.115) 3.137 2.468 ( -0.247 -0.493 2.514) 2.574 2.497 ( -0.724 0.604 1.386) 1.676 2.513 ( -4.041 -2.231 -1.551) 4.869 2.576 ( -1.560 -2.302 -1.131) 3.002 2.631 ( -3.323 -0.603 1.842) 3.847 2.659 ( -1.001 1.373 -0.861) 1.905 2.717 ( -2.464 1.135 -0.722) 2.807 2.740 ( 3.810 -0.211 -0.115) 3.818 2.772 ( -3.448 -0.377 1.266) 3.692 2.812 ( -5.031 -2.067 -0.730) 5.488 2.879 ( 0.721 3.192 1.838) 3.754 3.003 ( 0.136 11.368 -1.419) 11.457 3.111 ( -0.381 3.190 -0.752) 3.300 3.157 ( 2.587 -0.595 -1.223) 2.923 3.195 ( -0.639 -0.430 -1.207) 1.432 3.310 ( -1.168 -2.259 -0.689) 2.634 3.334 ( -0.433 0.101 -0.164) 0.474 3.400 ( 0.396 -3.311 2.720) 4.303 3.450 ( 4.985 0.092 4.263) 6.560 3.616 ( 3.036 -0.180 -2.398) 3.873 3.726 ( -1.968 -1.585 -1.430) 2.904 3.802 ( 0.311 3.908 1.527) 4.207 3.818 ( -0.000 1.373 -0.213) 1.390 3.935 ( -0.901 -1.395 0.519) 1.740 4.163 ( 3.176 9.214 -1.265) 9.827 4.286 ( 0.783 -3.319 0.516) 3.449 4.456 ( 0.362 2.355 -0.781) 2.507 4.612 ( -6.284 -4.839 1.024) 7.997 4.865 ( -3.003 3.736 -0.133) 4.796 5.072 ( -6.497 -1.352 0.789) 6.683 5.198 ( -5.669 -4.393 -1.414) 7.310 5.379 ( -2.004 1.525 1.566) 2.966 5.453 ( -2.980 1.450 -0.819) 3.414 7.127 ( 1.533 -2.851 1.192) 3.449 7.199 ( 1.754 -2.572 -1.616) 3.508 7.880 ( 0.823 3.655 0.785) 3.828 8.060 ( -1.757 -5.928 0.745) 6.228 8.645 ( -1.907 11.283 -1.440) 11.533 8.756 ( -1.053 4.017 1.800) 4.526 9.321 ( -4.685 0.977 -3.061) 5.681 9.433 ( -4.290 -2.351 0.806) 4.958 10.067 ( -2.846 2.524 -1.394) 4.051 10.197 ( 1.426 -3.410 1.291) 3.915 10.269 ( 0.034 -1.350 -3.943) 4.168 10.377 ( 2.784 2.066 0.362) 3.486 10.576 ( -0.933 1.686 -1.168) 2.253 10.888 ( 0.943 0.316 -0.445) 1.090 10.968 ( -1.394 6.053 -0.448) 6.228 11.153 ( -1.588 1.456 2.662) 3.425 11.727 ( 4.059 -3.181 8.769) 10.173 11.850 ( 2.581 -6.219 -0.755) 6.776 11.951 ( 2.345 -7.294 -8.532) 11.468 12.085 ( 7.269 0.950 1.444) 7.472 12.188 ( 1.020 -0.853 2.831) 3.128 12.263 ( 3.633 -3.162 -0.354) 4.830 12.412 ( 6.736 9.320 -7.062) 13.494 12.464 ( 1.227 5.704 -1.944) 6.150 12.637 ( 4.507 -0.604 2.783) 5.331 12.826 ( 2.939 2.975 4.713) 6.301 12.901 ( -3.214 -3.050 3.297) 5.523 12.980 ( -2.257 0.629 1.369) 2.713 13.184 ( 0.933 2.424 -4.405) 5.113 13.210 ( -4.339 6.798 -2.006) 8.311 13.370 ( -7.906 -3.771 0.332) 8.765 13.425 ( -0.347 -3.695 2.806) 4.653 13.516 ( -5.906 1.758 1.011) 6.244 13.714 ( -4.194 -2.576 -1.983) 5.306 13.860 ( 4.862 -2.839 -1.428) 5.809 14.009 ( 2.230 1.814 0.709) 2.961 14.192 ( 2.908 -2.361 2.528) 4.520 14.242 ( 1.921 -1.044 -1.483) 2.642 14.414 ( 2.502 -0.690 -0.868) 2.736 14.465 ( 0.572 6.775 -1.699) 7.008 14.665 ( 2.680 -1.087 -0.939) 3.040 14.690 ( 3.528 0.359 2.724) 4.472 15.028 ( -1.814 -5.672 2.142) 6.328 15.103 ( -7.438 -3.174 -2.608) 8.496 15.327 ( -2.566 -5.957 -3.011) 7.151 15.472 ( -0.499 -5.173 6.412) 8.254 15.994 ( -4.614 9.837 -4.337) 11.699 16.230 ( -5.425 5.290 2.069) 7.855 ======================= Grid point 76 (34/76) ======================= q-point: ( 0.44 0.17 -0.75) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 4.142 1.991 4.094) 6.155 0.971 ( 0.968 -5.951 6.125) 8.595 0.992 ( 3.995 3.536 0.474) 5.356 1.090 ( 0.781 -5.949 -0.655) 6.036 1.133 ( 0.312 -4.843 0.709) 4.905 1.159 ( 0.930 -1.177 -0.945) 1.773 1.232 ( 1.623 -0.193 -0.393) 1.681 1.252 ( -0.757 -3.246 0.848) 3.440 1.355 ( 4.218 -1.253 0.455) 4.424 1.382 ( -2.378 -5.386 -1.878) 6.179 1.419 ( 0.673 -2.457 -2.367) 3.478 1.474 ( -1.181 -2.120 -1.326) 2.765 1.532 ( -0.867 -2.963 1.680) 3.515 1.567 ( 0.466 -3.058 2.455) 3.949 1.613 ( 0.657 0.715 0.293) 1.014 1.669 ( 0.274 0.188 -1.501) 1.537 1.687 ( 1.864 -1.201 -1.047) 2.452 1.703 ( 2.181 -2.028 0.155) 2.983 1.741 ( 0.675 -2.099 -0.902) 2.383 1.792 ( -1.000 -2.184 2.247) 3.289 1.869 ( -1.656 -3.544 0.614) 3.960 1.873 ( 3.645 3.019 -0.116) 4.735 1.896 ( -2.434 -2.760 2.240) 4.308 1.937 ( 3.511 -0.565 -4.165) 5.477 1.978 ( 2.138 -0.397 0.298) 2.195 1.992 ( 0.785 -2.176 -1.539) 2.778 2.031 ( 4.575 0.323 -1.835) 4.939 2.083 ( 0.252 -2.358 -0.756) 2.488 2.119 ( 1.614 -0.943 -0.516) 1.939 2.142 ( -0.773 -0.428 -0.778) 1.177 2.156 ( 1.398 0.217 -1.347) 1.954 2.187 ( 3.766 -2.268 0.825) 4.473 2.191 ( -1.990 -1.917 -2.538) 3.752 2.214 ( -4.870 -1.130 1.642) 5.262 2.234 ( 1.257 0.716 -1.202) 1.881 2.289 ( -2.357 -3.898 -3.008) 5.459 2.327 ( 1.367 -3.125 1.144) 3.598 2.380 ( 1.365 -0.137 2.604) 2.943 2.410 ( -3.006 -0.886 0.233) 3.142 2.451 ( 0.471 -4.157 1.067) 4.318 2.475 ( 1.875 -2.656 0.705) 3.327 2.523 ( -0.769 -1.646 2.326) 2.951 2.537 ( -2.010 1.175 -0.236) 2.341 2.592 ( -1.776 2.177 1.103) 3.019 2.634 ( -0.973 -1.796 -0.179) 2.051 2.691 ( -4.350 -0.317 -3.021) 5.306 2.694 ( 0.608 3.267 0.630) 3.382 2.739 ( -0.384 1.677 0.846) 1.917 2.801 ( 1.057 0.527 -0.050) 1.182 2.907 ( -0.692 5.540 -2.373) 6.066 2.990 ( 1.098 5.363 2.101) 5.863 3.101 ( -0.735 1.884 0.051) 2.023 3.163 ( 0.790 -1.494 -1.867) 2.518 3.222 ( 3.514 1.025 -1.063) 3.811 3.295 ( -0.398 -1.316 0.854) 1.619 3.309 ( -1.065 0.799 -0.473) 1.413 3.428 ( -0.264 -1.458 4.439) 4.680 3.486 ( -3.243 -0.947 -3.145) 4.616 3.691 ( -0.421 5.571 -0.743) 5.636 3.709 ( 5.247 -0.300 2.700) 5.909 3.797 ( -0.842 3.563 0.527) 3.699 3.835 ( 1.871 3.336 -2.819) 4.752 3.940 ( 0.125 -2.058 4.767) 5.194 4.149 ( -1.859 6.351 -1.909) 6.888 4.316 ( 0.524 -2.220 0.353) 2.308 4.444 ( -0.649 2.486 -3.786) 4.575 4.536 ( -1.903 -1.722 4.061) 4.804 4.780 ( -2.672 3.005 -3.034) 5.037 5.012 ( -2.799 -1.031 3.215) 4.386 5.114 ( -1.024 -4.814 -1.970) 5.301 5.371 ( -0.801 0.895 1.969) 2.306 5.418 ( -0.261 0.794 -0.370) 0.914 7.157 ( -0.077 -2.561 1.381) 2.910 7.214 ( 1.575 -4.316 -1.644) 4.880 7.906 ( 0.555 3.838 1.928) 4.331 8.028 ( -1.431 -3.822 -0.333) 4.095 8.621 ( 0.070 11.121 -0.061) 11.122 8.733 ( -1.569 3.416 -1.015) 3.893 9.242 ( -1.249 1.792 -1.648) 2.736 9.352 ( -2.833 -2.642 -3.194) 5.021 10.020 ( -0.386 2.799 -1.407) 3.156 10.180 ( -1.678 -2.629 -4.692) 5.634 10.286 ( 2.264 -0.041 2.221) 3.171 10.427 ( 1.865 1.223 0.489) 2.283 10.572 ( -0.064 4.098 1.604) 4.402 10.899 ( 2.938 3.232 -7.235) 8.451 10.958 ( -1.370 0.890 5.871) 6.094 11.140 ( -2.388 0.135 3.372) 4.134 11.809 ( -0.545 -11.003 -5.398) 12.268 11.864 ( -0.893 -7.535 -1.945) 7.833 11.907 ( 1.414 -1.272 3.459) 3.947 12.190 ( 3.349 -1.323 0.218) 3.607 12.270 ( 1.642 2.044 5.435) 6.034 12.358 ( 4.333 -1.678 2.302) 5.185 12.464 ( 0.486 2.183 -3.013) 3.752 12.531 ( 8.713 9.733 -1.679) 13.171 12.743 ( 3.986 0.807 2.490) 4.768 12.835 ( -2.356 0.474 2.849) 3.727 12.892 ( -3.678 4.813 4.626) 7.622 12.962 ( -1.728 -0.113 2.110) 2.730 13.107 ( -5.147 2.511 -1.172) 5.846 13.150 ( 0.007 2.913 -4.469) 5.335 13.212 ( -2.489 2.265 -6.421) 7.250 13.388 ( -5.337 1.370 -6.260) 8.340 13.501 ( 3.265 -5.325 4.292) 7.579 13.643 ( -1.908 -9.401 2.551) 9.927 13.948 ( 3.681 -0.636 0.708) 3.802 14.037 ( -0.277 2.081 0.108) 2.102 14.253 ( 1.446 -0.480 0.972) 1.807 14.289 ( 1.811 -4.338 1.689) 4.995 14.413 ( 0.524 1.684 -1.754) 2.487 14.474 ( 0.236 7.449 0.046) 7.453 14.722 ( 2.706 -0.783 0.302) 2.833 14.747 ( 1.518 -0.827 0.059) 1.730 14.969 ( -4.215 -2.866 -0.455) 5.117 14.989 ( -3.441 -2.686 0.662) 4.415 15.311 ( 2.837 -8.114 -0.664) 8.621 15.463 ( -3.927 -7.300 1.025) 8.352 15.938 ( 0.892 10.507 0.439) 10.554 16.140 ( -4.027 5.062 -1.165) 6.572 ======================= Grid point 77 (35/76) ======================= q-point: (-0.44 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -0.074 -4.103 6.967) 8.086 0.927 ( -6.356 -0.792 1.563) 6.593 1.043 ( -0.074 -5.108 0.852) 5.179 1.072 ( -3.774 -3.467 -1.540) 5.351 1.126 ( -1.908 -1.343 0.813) 2.471 1.170 ( -1.683 -1.780 -1.638) 2.947 1.202 ( -0.966 -0.008 4.010) 4.125 1.261 ( 0.313 -0.328 1.572) 1.636 1.327 ( -0.774 -3.264 -2.449) 4.153 1.390 ( 0.350 -4.313 -2.670) 5.084 1.444 ( 3.367 -2.428 0.604) 4.195 1.483 ( 1.992 -1.432 -1.550) 2.902 1.505 ( -1.851 -1.699 1.733) 3.052 1.576 ( -1.090 -0.589 -0.713) 1.430 1.634 ( -0.420 -0.974 -1.047) 1.490 1.656 ( -0.471 -3.957 3.277) 5.159 1.700 ( -0.244 -0.521 -1.267) 1.391 1.710 ( -3.163 -2.462 -0.989) 4.129 1.755 ( 1.006 -1.390 0.012) 1.716 1.778 ( -0.510 -3.940 -0.540) 4.009 1.821 ( -4.303 -2.995 -1.741) 5.524 1.827 ( -1.744 1.011 2.282) 3.044 1.898 ( -4.043 -1.711 0.715) 4.448 1.951 ( -0.761 -0.354 0.513) 0.983 1.957 ( 1.625 -1.108 -3.274) 3.819 2.023 ( -3.661 -1.603 -1.476) 4.261 2.053 ( -0.136 -2.796 -2.070) 3.482 2.069 ( -0.798 -2.096 -0.432) 2.284 2.105 ( -1.943 -0.625 0.077) 2.042 2.143 ( 0.134 -1.138 -0.128) 1.153 2.149 ( 0.737 -0.272 -0.319) 0.848 2.158 ( -0.531 0.622 -0.807) 1.149 2.185 ( 4.306 -1.257 0.516) 4.516 2.226 ( -0.377 -0.512 -0.715) 0.957 2.241 ( 0.735 -1.815 -0.995) 2.196 2.295 ( 4.008 0.140 -1.318) 4.222 2.328 ( -3.675 0.501 1.907) 4.170 2.356 ( -1.239 0.186 0.590) 1.385 2.418 ( 0.718 -2.748 1.390) 3.162 2.457 ( -2.868 -2.124 0.200) 3.575 2.515 ( 2.226 -0.707 -2.228) 3.228 2.523 ( -0.797 -0.697 2.070) 2.325 2.553 ( 3.470 -2.849 2.349) 5.067 2.584 ( 1.235 0.468 1.667) 2.126 2.619 ( 0.155 -0.585 -2.532) 2.604 2.659 ( 2.701 -2.787 0.477) 3.910 2.719 ( 0.311 4.890 0.175) 4.903 2.760 ( 0.867 1.844 0.093) 2.039 2.800 ( 1.165 0.831 -1.044) 1.771 2.851 ( -1.541 4.553 -2.732) 5.529 2.995 ( -3.009 3.731 3.514) 5.943 3.109 ( 0.982 1.301 0.315) 1.660 3.177 ( 0.682 -1.848 -1.217) 2.316 3.263 ( 0.319 0.833 -2.816) 2.954 3.294 ( -0.993 -2.680 1.201) 3.100 3.305 ( 1.589 -1.606 0.792) 2.394 3.367 ( -2.767 1.382 -2.180) 3.784 3.485 ( 1.785 4.887 3.220) 6.118 3.677 ( -1.628 4.209 0.278) 4.522 3.765 ( -1.611 3.898 -0.104) 4.219 3.784 ( 0.198 4.055 -0.390) 4.079 3.844 ( 2.404 -2.406 -1.413) 3.683 3.995 ( -0.845 0.917 5.442) 5.583 4.090 ( -3.165 -3.955 -0.542) 5.094 4.372 ( 3.814 4.819 -3.559) 7.101 4.390 ( 4.212 0.242 -2.027) 4.680 4.564 ( -2.367 5.390 5.784) 8.253 4.734 ( 0.897 -2.150 -4.246) 4.843 5.016 ( 1.193 -4.850 2.553) 5.609 5.128 ( 3.626 -0.328 -1.500) 3.938 5.378 ( -0.016 1.564 1.662) 2.283 5.429 ( 1.553 -0.653 -0.130) 1.690 7.137 ( -2.691 -2.260 0.729) 3.589 7.235 ( 1.517 -4.412 -0.986) 4.769 7.936 ( 0.511 2.187 3.189) 3.900 8.007 ( 0.131 -1.271 -1.619) 2.062 8.633 ( -0.091 8.125 0.427) 8.137 8.692 ( -0.688 6.783 -1.300) 6.941 9.234 ( 0.156 -1.719 -2.161) 2.766 9.293 ( 1.417 -1.008 -3.012) 3.478 10.029 ( 1.468 1.835 0.452) 2.393 10.102 ( -1.363 -0.975 -5.071) 5.341 10.355 ( 1.958 1.311 4.058) 4.693 10.446 ( 0.306 1.241 -1.129) 1.705 10.599 ( 2.115 5.009 0.363) 5.449 10.870 ( 2.696 5.104 -11.151) 12.557 11.012 ( -1.551 -1.938 11.379) 11.647 11.123 ( -2.114 -0.648 2.611) 3.421 11.723 ( -4.578 -8.247 -0.937) 9.478 11.766 ( -3.115 -8.448 -6.636) 11.185 11.996 ( 1.243 -3.600 4.923) 6.224 12.222 ( 1.288 0.184 -3.043) 3.309 12.326 ( -1.496 1.765 3.398) 4.111 12.357 ( -5.781 2.057 3.670) 7.150 12.512 ( 5.338 -1.084 -1.497) 5.649 12.618 ( 2.137 11.197 -2.457) 11.661 12.728 ( -7.793 -2.606 3.170) 8.808 12.824 ( -5.480 4.385 6.429) 9.518 12.885 ( -5.580 1.380 -1.294) 5.892 12.931 ( 4.808 -0.795 4.507) 6.638 13.046 ( 1.673 -0.618 -0.558) 1.869 13.167 ( 4.075 3.926 -2.912) 6.364 13.199 ( 3.659 2.331 -5.460) 6.974 13.251 ( 1.142 1.951 -7.251) 7.595 13.557 ( -1.815 -4.556 4.461) 6.630 13.689 ( 4.004 -5.479 0.259) 6.791 13.983 ( -1.920 -2.755 0.874) 3.470 14.025 ( 0.887 -0.473 0.145) 1.015 14.243 ( -4.055 -2.101 1.293) 4.746 14.308 ( 1.128 -0.394 0.480) 1.288 14.416 ( -2.135 6.496 -0.835) 6.889 14.492 ( 2.971 1.697 -0.143) 3.425 14.704 ( -3.820 -1.069 0.119) 3.968 14.751 ( -2.300 -0.983 0.321) 2.522 14.946 ( 0.293 -1.676 -0.270) 1.723 15.004 ( 7.056 -2.397 0.339) 7.460 15.360 ( -5.265 -7.605 -2.240) 9.516 15.402 ( 4.797 -7.232 2.607) 9.062 16.019 ( 4.649 7.709 2.960) 9.476 16.072 ( -0.022 6.883 -3.642) 7.787 ======================= Grid point 78 (36/76) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -10.563 -1.367 -0.871) 10.686 0.845 ( -12.733 -1.563 -1.855) 12.962 0.949 ( -2.389 -3.938 7.089) 8.454 1.053 ( -0.991 -8.015 0.667) 8.103 1.117 ( -0.385 -1.015 0.152) 1.096 1.139 ( -1.893 -1.930 -1.920) 3.316 1.166 ( -5.213 0.247 3.612) 6.347 1.273 ( 1.918 -4.446 -1.307) 5.016 1.323 ( -0.302 -1.670 0.209) 1.710 1.397 ( 0.577 0.555 -0.144) 0.813 1.429 ( -3.785 0.792 0.884) 3.966 1.495 ( 1.507 -3.605 -2.605) 4.696 1.508 ( -3.798 -3.192 -3.171) 5.888 1.554 ( -2.579 -1.094 2.057) 3.476 1.586 ( -2.212 -3.816 -1.447) 4.642 1.598 ( -4.722 -1.058 -1.227) 4.993 1.632 ( -3.533 0.010 0.747) 3.611 1.677 ( -3.363 -2.987 -2.046) 4.941 1.696 ( -5.297 0.872 0.241) 5.374 1.713 ( -3.856 -1.885 0.487) 4.320 1.780 ( -1.230 -2.283 0.004) 2.594 1.806 ( -2.189 0.867 1.621) 2.859 1.828 ( -3.593 -1.600 2.206) 4.509 1.896 ( -2.595 -1.164 -3.059) 4.178 1.937 ( -2.294 0.397 0.234) 2.340 1.958 ( -3.258 -2.046 1.076) 3.995 2.008 ( -3.376 -0.813 1.927) 3.971 2.060 ( -0.181 -0.929 -0.275) 0.986 2.101 ( 2.370 -1.139 -0.579) 2.692 2.123 ( -1.281 3.163 -0.635) 3.471 2.160 ( 1.128 -0.938 -1.263) 1.936 2.171 ( 1.397 0.296 -0.655) 1.571 2.213 ( 0.388 -1.433 -1.010) 1.796 2.257 ( 2.164 -3.837 0.196) 4.409 2.267 ( 0.882 2.978 1.629) 3.507 2.296 ( 0.796 -0.893 -0.507) 1.299 2.329 ( 0.491 1.272 -0.696) 1.531 2.367 ( 3.178 1.122 0.331) 3.386 2.410 ( -1.337 -3.702 -0.691) 3.996 2.456 ( 1.972 -2.600 1.248) 3.494 2.528 ( 0.656 -0.321 1.242) 1.441 2.547 ( 1.114 -0.319 0.729) 1.369 2.605 ( 0.791 -1.329 -1.551) 2.190 2.638 ( 1.338 -0.050 -0.082) 1.342 2.650 ( 3.831 0.952 1.415) 4.193 2.709 ( 1.552 -2.696 -0.116) 3.113 2.737 ( 1.798 2.157 -0.149) 2.812 2.760 ( 2.018 -0.868 -0.730) 2.315 2.808 ( 0.212 3.764 -2.010) 4.273 2.859 ( 2.979 -1.099 0.578) 3.227 2.976 ( -2.219 3.756 4.453) 6.233 3.102 ( -0.881 5.061 -2.824) 5.862 3.169 ( -0.452 1.409 -0.123) 1.485 3.223 ( 2.102 3.020 -4.011) 5.443 3.278 ( -1.645 -5.201 1.894) 5.774 3.357 ( 2.499 -0.541 0.214) 2.566 3.379 ( 0.513 -5.350 1.645) 5.621 3.481 ( -4.094 1.845 0.757) 4.554 3.626 ( -4.235 2.092 0.832) 4.796 3.747 ( 0.888 8.554 0.823) 8.639 3.785 ( 0.523 0.799 -0.887) 1.303 3.890 ( 2.834 -2.504 -0.868) 3.880 3.987 ( -3.277 1.272 3.440) 4.919 4.018 ( -2.617 -4.363 -3.453) 6.149 4.377 ( 0.872 4.187 -1.141) 4.426 4.504 ( -0.825 -1.055 -0.666) 1.495 4.591 ( 5.823 3.525 4.240) 8.019 4.745 ( 4.253 -1.313 -2.426) 5.069 5.086 ( 3.526 -7.810 0.615) 8.591 5.212 ( 5.920 2.887 -0.625) 6.616 5.413 ( 2.950 3.506 1.213) 4.739 5.472 ( 3.355 -1.945 -0.823) 3.964 7.079 ( -3.729 -1.639 0.443) 4.097 7.243 ( 0.003 -3.278 -0.878) 3.393 7.986 ( 1.100 -1.192 4.747) 5.016 8.002 ( 1.363 0.658 -3.080) 3.432 8.598 ( -2.334 7.127 -0.216) 7.502 8.710 ( 1.476 7.571 0.982) 7.776 9.196 ( -0.225 -2.459 -2.591) 3.579 9.359 ( 5.147 -1.584 -1.072) 5.491 10.046 ( 0.454 1.099 -2.574) 2.835 10.081 ( 1.118 0.614 1.968) 2.345 10.412 ( 0.949 1.297 -1.992) 2.559 10.446 ( 1.460 2.596 3.156) 4.340 10.648 ( 3.717 5.575 -2.981) 7.334 10.818 ( 1.460 5.349 -9.818) 11.275 11.073 ( -2.275 -3.967 8.970) 10.069 11.104 ( -1.821 -0.536 3.138) 3.667 11.635 ( -4.010 -7.108 -2.100) 8.427 11.655 ( -5.332 -4.603 2.692) 7.540 12.032 ( -0.712 -5.599 2.447) 6.152 12.172 ( -4.662 1.438 -2.943) 5.698 12.253 ( -5.065 2.908 0.220) 5.844 12.276 ( -4.128 2.150 -2.097) 5.105 12.508 ( -6.381 -1.940 -1.442) 6.823 12.563 ( -5.456 0.146 -5.989) 8.103 12.632 ( 1.323 8.966 0.276) 9.067 12.783 ( -5.069 3.468 4.707) 7.739 12.864 ( 1.614 1.376 8.743) 8.997 13.010 ( 1.904 -5.882 -4.216) 7.483 13.086 ( 1.163 1.012 2.924) 3.306 13.188 ( 2.646 -0.527 -1.490) 3.082 13.281 ( 7.022 4.973 0.435) 8.616 13.355 ( 9.682 3.233 -2.099) 10.421 13.537 ( -1.608 -6.004 -0.180) 6.218 13.735 ( 0.401 2.550 0.710) 2.677 13.951 ( -0.411 -5.924 -1.765) 6.195 14.051 ( 1.010 -1.713 0.402) 2.029 14.177 ( -3.390 -2.430 1.852) 4.564 14.320 ( -1.100 -0.334 -0.450) 1.234 14.346 ( -3.315 4.396 -0.780) 5.561 14.481 ( -3.289 4.629 -2.023) 6.029 14.635 ( -3.938 -3.909 0.520) 5.573 14.744 ( 2.066 -0.101 1.281) 2.433 14.961 ( 0.096 1.895 0.724) 2.031 15.157 ( 5.626 -6.373 -1.513) 8.635 15.264 ( 0.232 -7.345 -0.616) 7.374 15.529 ( 5.014 -6.899 4.492) 9.639 16.028 ( 2.039 9.966 -5.672) 11.647 16.194 ( 7.934 6.187 3.336) 10.600 ======================= Grid point 79 (37/76) ======================= q-point: (-0.22 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -9.786 3.607 -0.322) 10.434 0.572 ( -13.597 2.519 -1.051) 13.869 0.905 ( -6.807 -4.727 3.324) 8.929 1.019 ( -4.076 -6.941 2.036) 8.303 1.048 ( -6.109 -0.886 -4.519) 7.650 1.080 ( -3.736 -3.469 1.226) 5.243 1.127 ( -1.158 -1.387 1.201) 2.170 1.262 ( -6.281 -1.432 -2.912) 7.070 1.288 ( -2.217 0.933 -2.845) 3.726 1.300 ( -10.121 4.754 -0.836) 11.213 1.374 ( -4.940 -4.245 -1.369) 6.656 1.378 ( -2.745 2.638 2.840) 4.750 1.404 ( -4.560 -1.737 0.895) 4.961 1.467 ( -3.029 0.378 -0.534) 3.099 1.539 ( -3.554 -2.202 1.112) 4.326 1.559 ( -2.229 -2.311 0.576) 3.262 1.579 ( -2.874 -1.510 -1.405) 3.538 1.614 ( -1.464 -1.531 0.189) 2.127 1.633 ( -2.789 -2.138 0.835) 3.612 1.668 ( -1.142 0.228 -1.086) 1.592 1.715 ( -2.254 -0.281 -0.676) 2.370 1.774 ( -2.307 -0.101 -0.709) 2.415 1.789 ( -1.381 -1.322 1.896) 2.692 1.855 ( -0.921 -1.154 0.539) 1.571 1.878 ( -2.869 -0.372 -0.695) 2.975 1.929 ( -0.679 -1.752 0.638) 1.985 2.001 ( 0.407 -0.811 4.090) 4.189 2.064 ( -0.422 -3.137 1.072) 3.343 2.121 ( 1.121 3.092 -1.358) 3.558 2.147 ( 1.299 1.532 -0.037) 2.009 2.161 ( 0.671 -2.219 -0.262) 2.333 2.204 ( 0.566 -0.370 0.750) 1.009 2.215 ( 1.067 1.842 -0.792) 2.272 2.266 ( 0.762 -1.152 -0.645) 1.524 2.279 ( 0.933 -1.615 0.139) 1.870 2.354 ( 3.110 -1.958 1.050) 3.823 2.376 ( 1.834 -0.516 -4.521) 4.906 2.395 ( 3.865 1.046 2.272) 4.604 2.432 ( 2.750 0.145 1.290) 3.041 2.514 ( 2.641 -1.816 0.159) 3.209 2.551 ( -0.304 1.525 0.158) 1.563 2.566 ( 1.073 1.043 -0.201) 1.510 2.585 ( 0.366 -1.460 -1.036) 1.828 2.654 ( 0.345 -0.835 0.987) 1.338 2.703 ( 0.375 2.096 -1.989) 2.914 2.726 ( -0.097 -0.954 1.300) 1.615 2.760 ( 2.015 -1.037 -1.641) 2.798 2.820 ( 3.032 -0.633 0.221) 3.105 2.841 ( 2.802 -0.298 3.163) 4.236 2.915 ( 2.316 0.389 -0.924) 2.523 2.996 ( 0.932 2.801 3.287) 4.418 3.071 ( 0.703 3.840 -2.825) 4.818 3.157 ( -1.006 4.185 0.915) 4.400 3.254 ( 2.310 0.135 -2.297) 3.260 3.268 ( -0.859 -4.793 1.108) 4.994 3.303 ( -6.255 -4.669 -1.777) 8.005 3.391 ( -1.179 2.080 -0.201) 2.400 3.445 ( 0.495 1.364 0.339) 1.490 3.557 ( -1.630 -4.139 -0.719) 4.506 3.780 ( -0.192 4.538 2.475) 5.173 3.801 ( 1.516 1.959 1.019) 2.678 3.911 ( -2.837 -9.578 2.009) 10.189 3.936 ( 0.729 0.667 -5.613) 5.699 3.962 ( -2.394 5.502 1.375) 6.156 4.346 ( -2.006 0.851 -3.152) 3.832 4.460 ( -2.131 -0.737 0.939) 2.442 4.720 ( 4.688 -5.213 0.837) 7.061 4.855 ( 4.817 5.852 1.964) 7.830 5.151 ( 4.391 -8.001 -0.193) 9.129 5.330 ( 6.277 3.119 0.451) 7.023 5.505 ( 5.379 1.585 -0.742) 5.656 5.544 ( 5.303 -0.018 -1.130) 5.422 7.013 ( -3.726 -0.671 1.186) 3.967 7.221 ( -1.162 -2.764 -1.344) 3.285 7.995 ( 1.349 1.176 -4.042) 4.420 8.060 ( 2.039 -6.038 4.345) 7.713 8.578 ( -1.043 8.722 4.280) 9.771 8.740 ( 0.640 5.284 1.055) 5.426 9.204 ( 1.424 0.126 1.801) 2.299 9.435 ( 3.786 -2.940 -0.184) 4.797 10.051 ( 1.398 3.085 -0.625) 3.444 10.116 ( -0.297 0.091 3.869) 3.881 10.391 ( 1.285 2.062 -5.792) 6.281 10.521 ( 3.728 2.691 -0.631) 4.641 10.681 ( 2.433 5.896 -1.958) 6.672 10.761 ( 0.479 4.817 -7.565) 8.982 11.057 ( -1.377 -3.467 0.226) 3.737 11.135 ( -2.126 -3.608 9.184) 10.093 11.554 ( -3.107 -2.211 2.089) 4.348 11.625 ( -2.731 -2.653 6.758) 7.757 11.974 ( -9.404 -2.270 -2.165) 9.913 12.042 ( -3.332 -3.982 1.965) 5.552 12.118 ( -6.242 1.886 -9.440) 11.473 12.203 ( -1.343 1.519 -0.703) 2.146 12.354 ( -4.291 4.390 -2.061) 6.476 12.477 ( -0.715 3.547 -2.964) 4.677 12.639 ( -0.606 4.175 -0.937) 4.321 12.740 ( -5.164 4.483 5.490) 8.770 12.944 ( -0.830 0.706 5.291) 5.402 13.023 ( 3.983 -7.870 -2.817) 9.259 13.107 ( -0.711 1.050 -0.432) 1.340 13.232 ( 2.646 -0.420 -0.955) 2.844 13.424 ( 5.259 6.098 4.787) 9.368 13.528 ( 5.991 -3.352 2.362) 7.260 13.533 ( 4.012 -4.005 -1.362) 5.831 13.754 ( 1.409 3.738 1.828) 4.393 13.913 ( -1.010 -3.746 -4.690) 6.087 14.045 ( -0.687 -0.140 -3.846) 3.910 14.158 ( -1.566 -1.524 2.304) 3.175 14.257 ( -1.248 -0.778 -3.156) 3.482 14.284 ( -4.507 -2.569 1.384) 5.370 14.410 ( -2.511 4.851 -0.736) 5.512 14.565 ( -3.979 -0.536 1.166) 4.181 14.772 ( -0.115 3.126 -4.107) 5.162 14.931 ( -4.307 -3.913 3.969) 7.043 15.200 ( 4.386 -7.841 0.360) 8.992 15.386 ( 7.589 -5.044 0.410) 9.121 15.653 ( 3.823 -9.123 3.467) 10.482 16.046 ( 5.360 16.560 -5.614) 18.289 16.367 ( 7.297 5.683 1.895) 9.441 ======================= Grid point 80 (38/76) ======================= q-point: (-0.11 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( -9.876 7.863 -3.432) 13.082 0.396 ( -7.046 9.913 6.192) 13.648 0.780 ( -6.541 0.240 -2.798) 7.119 0.848 ( -6.910 1.148 -4.326) 8.233 0.907 ( -10.540 4.782 2.494) 11.840 0.996 ( -10.935 12.003 3.625) 16.637 1.035 ( -2.852 -3.770 3.026) 5.613 1.124 ( -0.299 -4.305 0.535) 4.349 1.216 ( -3.430 -2.198 -0.171) 4.078 1.238 ( -3.985 -2.612 -0.513) 4.792 1.261 ( -0.637 -4.917 -1.616) 5.215 1.315 ( -3.744 2.903 2.669) 5.438 1.424 ( 1.108 -2.193 -2.073) 3.214 1.434 ( -1.267 -1.466 0.131) 1.942 1.471 ( -3.046 -0.527 -0.262) 3.102 1.487 ( -1.585 -1.778 0.875) 2.537 1.524 ( -4.183 -2.112 1.065) 4.805 1.580 ( 1.085 -0.077 -1.661) 1.985 1.629 ( 0.337 -2.365 -2.877) 3.740 1.662 ( 0.756 -2.444 -0.279) 2.574 1.675 ( -1.607 -1.777 -1.542) 2.850 1.770 ( -0.091 -0.279 2.244) 2.263 1.792 ( 0.042 -0.934 1.217) 1.535 1.803 ( -2.000 1.718 -0.485) 2.681 1.862 ( -0.858 -0.849 1.274) 1.755 1.950 ( 0.967 -1.470 1.117) 2.084 2.028 ( -0.196 -0.369 0.787) 0.891 2.064 ( -0.803 -7.526 3.043) 8.158 2.130 ( 0.362 1.905 -1.384) 2.382 2.142 ( -0.243 1.580 -0.831) 1.801 2.170 ( 0.768 0.324 -1.591) 1.796 2.193 ( -0.430 0.219 -0.894) 1.016 2.219 ( -0.947 1.682 -0.408) 1.973 2.294 ( 1.328 -1.732 -1.383) 2.584 2.307 ( 1.085 -3.365 1.427) 3.812 2.376 ( 1.464 0.205 0.879) 1.720 2.426 ( 3.273 -0.354 -3.218) 4.604 2.498 ( 2.472 -0.051 0.016) 2.472 2.505 ( 3.876 2.259 2.532) 5.151 2.517 ( 1.378 3.062 -1.467) 3.664 2.557 ( 0.341 0.481 1.117) 1.264 2.579 ( 0.988 -1.062 -0.430) 1.513 2.621 ( 0.835 -1.221 1.849) 2.368 2.669 ( -0.404 -1.003 -1.202) 1.617 2.682 ( 0.395 -1.031 0.390) 1.171 2.718 ( 0.489 0.878 -0.630) 1.186 2.779 ( 0.686 2.872 -0.181) 2.958 2.861 ( -1.976 3.176 1.840) 4.169 2.878 ( -0.469 -1.730 -0.083) 1.794 2.948 ( 2.685 -1.483 0.353) 3.088 3.039 ( 2.383 -0.056 -1.824) 3.002 3.086 ( 0.601 2.260 1.298) 2.674 3.127 ( -2.886 4.740 -1.133) 5.664 3.171 ( -4.258 -4.331 0.133) 6.075 3.246 ( -2.417 -1.267 0.363) 2.753 3.286 ( 2.468 -0.170 -3.043) 3.921 3.346 ( -0.636 0.923 0.779) 1.365 3.479 ( 1.952 2.119 -1.274) 3.150 3.546 ( 0.659 -8.910 -0.262) 8.938 3.778 ( -2.974 -1.077 3.710) 4.875 3.833 ( 0.096 3.590 0.990) 3.725 3.872 ( 0.007 -4.205 0.043) 4.205 3.895 ( -3.389 6.126 -1.070) 7.082 3.946 ( 0.937 -3.764 -0.955) 3.994 4.287 ( -0.502 -2.087 -2.896) 3.605 4.439 ( -1.135 0.129 0.512) 1.252 4.793 ( 2.553 -3.533 0.271) 4.367 4.890 ( -1.257 2.651 -0.318) 2.951 5.273 ( 6.105 -4.623 2.505) 8.057 5.441 ( 4.078 2.353 1.008) 4.815 5.584 ( 4.746 -1.422 -2.072) 5.370 5.637 ( 4.094 2.603 -0.600) 4.889 6.969 ( -2.402 -0.095 2.739) 3.644 7.181 ( -1.452 -3.432 -1.772) 4.127 7.982 ( 1.360 0.100 -4.837) 5.025 8.105 ( -0.404 -10.588 -0.777) 10.624 8.623 ( -0.752 7.905 6.408) 10.204 8.751 ( -0.350 4.684 1.523) 4.938 9.278 ( 2.882 2.392 4.833) 6.114 9.566 ( 7.280 -6.502 11.221) 14.872 10.068 ( 0.042 1.830 0.701) 1.960 10.139 ( -1.038 1.372 4.426) 4.749 10.359 ( 1.523 3.899 -7.269) 8.388 10.553 ( 4.088 2.412 -9.407) 10.536 10.702 ( -0.233 3.482 -1.849) 3.950 10.751 ( 4.020 4.603 1.088) 6.207 11.059 ( 0.109 -4.251 3.101) 5.263 11.163 ( -1.456 -4.525 5.135) 6.997 11.556 ( -1.369 1.597 5.495) 5.884 11.662 ( -1.523 0.243 6.991) 7.159 11.733 ( -8.945 -4.843 -4.810) 11.252 11.927 ( -3.095 -0.599 -6.957) 7.638 12.045 ( 1.849 -0.251 -1.919) 2.677 12.206 ( 0.604 1.064 2.582) 2.857 12.317 ( 0.306 6.937 1.157) 7.039 12.466 ( 1.114 5.967 -1.285) 6.205 12.600 ( -2.563 2.693 -0.676) 3.778 12.670 ( -4.500 3.370 1.028) 5.716 12.986 ( -1.389 -0.983 5.797) 6.042 13.047 ( 2.700 -7.171 1.078) 7.738 13.073 ( -0.076 -0.779 -4.363) 4.432 13.300 ( 3.966 -1.379 2.193) 4.737 13.494 ( -0.898 4.523 1.551) 4.865 13.597 ( 1.601 -4.730 1.756) 5.294 13.670 ( 5.839 -3.680 2.688) 7.407 13.828 ( -0.086 -0.797 -4.569) 4.639 13.838 ( 1.450 2.491 -0.797) 2.990 13.960 ( -2.783 0.678 -4.698) 5.502 14.123 ( -2.795 -1.204 1.029) 3.213 14.214 ( -2.253 -0.732 0.988) 2.566 14.254 ( 0.695 -0.167 -1.630) 1.780 14.351 ( -3.801 1.320 0.181) 4.028 14.501 ( -3.453 0.319 0.779) 3.554 14.682 ( -2.606 7.210 -5.390) 9.372 14.921 ( -2.443 -6.704 8.067) 10.770 15.309 ( 4.792 -8.723 -0.107) 9.953 15.498 ( 4.697 -6.138 -2.387) 8.089 15.707 ( 0.367 -10.165 -2.447) 10.461 16.151 ( 10.230 23.589 -4.858) 26.166 16.481 ( 3.838 6.373 -1.021) 7.509 ======================= Grid point 81 (39/76) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 0.223 8.715 -0.533) 8.734 0.481 ( -3.792 7.941 1.070) 8.865 0.637 ( -2.365 -4.092 -5.350) 7.138 0.687 ( 0.135 -2.073 -6.409) 6.737 0.915 ( 0.978 -0.756 -0.592) 1.371 0.974 ( 0.779 -3.921 2.292) 4.608 1.061 ( 2.241 -5.296 0.654) 5.788 1.095 ( -0.974 -1.320 2.646) 3.114 1.166 ( -0.197 -2.926 0.216) 2.940 1.176 ( 1.776 -3.489 1.580) 4.222 1.194 ( 0.219 -2.674 -0.944) 2.845 1.285 ( -0.461 -7.708 -2.398) 8.085 1.372 ( 1.016 10.562 3.227) 11.091 1.437 ( -0.282 2.964 1.090) 3.170 1.444 ( -1.519 3.492 0.988) 3.934 1.498 ( -1.543 3.454 0.007) 3.783 1.515 ( 1.220 4.896 -0.091) 5.047 1.568 ( 1.140 1.531 -1.496) 2.425 1.595 ( -1.350 -1.236 -1.060) 2.115 1.622 ( 0.687 -0.134 -1.191) 1.381 1.668 ( 0.555 1.230 0.613) 1.482 1.769 ( -0.595 2.850 1.084) 3.106 1.785 ( -0.623 0.855 0.763) 1.304 1.841 ( 0.178 -0.472 3.144) 3.184 1.873 ( 0.344 1.016 3.501) 3.662 1.946 ( 0.032 -0.911 1.397) 1.668 1.954 ( 1.479 -5.738 4.759) 7.600 2.063 ( -0.248 3.098 -2.732) 4.138 2.090 ( -0.466 -3.123 -1.183) 3.372 2.112 ( -0.319 -0.729 -2.343) 2.475 2.157 ( -0.466 -0.005 -3.154) 3.189 2.225 ( -0.413 -5.001 -1.063) 5.130 2.230 ( 0.571 2.545 0.379) 2.635 2.276 ( 0.137 2.615 0.852) 2.753 2.342 ( -1.326 -3.188 3.252) 4.743 2.354 ( 1.095 1.119 1.653) 2.277 2.430 ( 1.147 -3.567 -3.639) 5.224 2.468 ( -1.509 -0.963 -2.992) 3.487 2.493 ( 0.121 -2.410 -0.523) 2.469 2.532 ( -1.001 -0.084 -0.159) 1.016 2.583 ( 0.753 -0.000 -1.098) 1.332 2.620 ( -0.927 -0.488 0.472) 1.149 2.638 ( 0.992 0.049 0.274) 1.031 2.664 ( 0.459 -0.787 1.765) 1.986 2.679 ( 0.235 1.549 -1.737) 2.339 2.744 ( -1.079 0.605 0.102) 1.242 2.804 ( 0.291 0.763 0.318) 0.876 2.853 ( -2.124 1.638 -0.265) 2.695 2.938 ( -0.341 2.206 3.357) 4.031 2.987 ( 3.059 -2.928 2.260) 4.800 3.008 ( 2.281 -2.446 1.722) 3.762 3.028 ( -1.788 -1.297 0.156) 2.215 3.132 ( -1.257 2.530 0.402) 2.853 3.187 ( 0.613 2.913 -3.232) 4.394 3.215 ( -2.030 0.306 -0.901) 2.242 3.243 ( 1.011 -2.035 -4.247) 4.816 3.397 ( 0.457 1.532 2.106) 2.644 3.459 ( 0.437 -1.960 3.585) 4.109 3.551 ( 0.552 2.612 -0.650) 2.748 3.678 ( -0.134 -2.720 -0.242) 2.734 3.788 ( -4.028 -5.613 -6.067) 9.194 3.805 ( -0.824 -4.341 -1.546) 4.681 3.939 ( 1.860 4.920 -0.666) 5.302 3.991 ( 1.975 5.025 -2.554) 5.973 4.258 ( 1.554 -1.500 6.475) 6.826 4.377 ( -1.109 -4.388 1.384) 4.733 4.772 ( -0.471 -1.198 -0.095) 1.291 4.864 ( 0.343 -2.454 -3.317) 4.141 5.363 ( -0.043 4.003 4.287) 5.865 5.532 ( -0.461 3.503 -0.456) 3.562 5.588 ( 1.343 -3.933 -0.206) 4.161 5.672 ( -0.905 -1.112 -2.351) 2.753 6.983 ( 0.028 1.138 2.428) 2.681 7.077 ( 0.337 -3.814 -0.711) 3.894 7.902 ( -1.056 -2.313 -1.549) 2.977 7.943 ( 0.729 -4.032 -4.987) 6.455 8.798 ( -0.689 7.242 5.961) 9.405 8.868 ( 0.430 3.761 4.645) 5.993 9.394 ( 0.469 0.936 5.218) 5.322 9.539 ( 0.003 -8.241 4.226) 9.261 10.094 ( -1.312 2.112 3.098) 3.973 10.166 ( -0.997 -0.178 2.314) 2.526 10.427 ( -0.509 4.634 -8.855) 10.007 10.529 ( 0.814 0.153 -12.137) 12.165 10.696 ( -0.044 0.721 -1.920) 2.051 10.857 ( 4.234 -4.254 -3.958) 7.190 11.081 ( 0.643 3.324 8.473) 9.124 11.121 ( -0.156 -0.594 4.472) 4.514 11.527 ( -2.045 1.991 -1.000) 3.024 11.610 ( -3.402 5.419 0.492) 6.417 11.693 ( 2.636 -5.180 8.051) 9.929 11.858 ( -2.613 -4.027 3.319) 5.836 12.163 ( 5.167 4.504 -6.087) 9.167 12.231 ( 0.731 4.705 -2.958) 5.606 12.389 ( -7.157 -3.304 4.805) 9.232 12.461 ( 1.237 1.606 3.044) 3.657 12.609 ( -0.288 2.518 -2.094) 3.287 12.703 ( 1.300 0.638 -6.962) 7.111 12.948 ( -1.544 -0.853 1.718) 2.462 13.000 ( 0.438 -3.411 -2.671) 4.354 13.076 ( 4.739 -2.678 9.685) 11.110 13.261 ( -0.795 -6.391 0.707) 6.479 13.488 ( -0.476 -4.196 0.668) 4.275 13.553 ( -1.423 -0.936 -0.497) 1.774 13.675 ( -0.673 2.985 4.211) 5.205 13.844 ( 0.538 5.643 -4.612) 7.308 13.852 ( -1.653 2.296 -3.465) 4.473 13.970 ( 2.025 -2.211 -2.235) 3.739 14.169 ( 4.590 1.452 0.573) 4.849 14.203 ( -2.258 -1.411 -1.046) 2.861 14.283 ( 0.441 1.896 1.587) 2.512 14.343 ( -0.274 1.129 -0.190) 1.177 14.474 ( -1.596 4.823 4.221) 6.605 14.723 ( -0.470 2.985 -5.697) 6.449 14.959 ( 2.769 -3.797 4.205) 6.306 15.098 ( -2.153 -7.328 -2.981) 8.199 15.381 ( -0.483 -5.505 0.737) 5.575 15.507 ( -1.292 -6.855 -0.685) 7.009 16.564 ( 2.199 9.698 -4.003) 10.720 16.611 ( -1.310 5.931 -3.316) 6.920 ======================= Grid point 82 (40/76) ======================= q-point: ( 0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 4.905 5.329 3.991) 8.269 0.540 ( 4.984 4.752 -5.709) 8.945 0.585 ( 5.256 2.768 2.414) 6.412 0.733 ( 6.990 -5.846 -1.898) 9.308 0.955 ( 3.408 -4.015 0.509) 5.291 1.036 ( 4.507 -6.514 -0.922) 7.975 1.081 ( -1.440 1.103 0.509) 1.883 1.122 ( 2.044 -5.177 1.342) 5.725 1.201 ( 3.479 -2.684 0.810) 4.468 1.217 ( 2.779 -1.270 -2.933) 4.236 1.249 ( 3.466 -4.841 0.236) 5.958 1.284 ( 3.424 -4.987 -2.035) 6.382 1.373 ( -2.516 -0.457 0.140) 2.561 1.453 ( 1.140 2.777 0.097) 3.004 1.475 ( -0.160 -1.118 0.561) 1.261 1.495 ( 2.711 2.953 1.039) 4.141 1.547 ( 1.066 3.079 1.126) 3.447 1.559 ( 4.183 5.577 -0.636) 7.001 1.613 ( 2.885 1.004 -1.072) 3.237 1.642 ( 1.568 -0.448 -0.974) 1.900 1.706 ( 1.254 3.249 3.204) 4.732 1.771 ( 1.363 2.262 -1.963) 3.290 1.795 ( 0.262 3.593 3.230) 4.839 1.845 ( -1.492 1.695 2.083) 3.072 1.917 ( -0.615 -2.267 2.231) 3.239 1.961 ( -1.327 -0.997 -0.478) 1.727 1.977 ( 1.323 -0.777 2.118) 2.616 2.029 ( -0.774 3.318 -1.280) 3.640 2.094 ( 0.125 -1.473 -0.883) 1.722 2.117 ( 1.880 -1.107 -1.240) 2.510 2.140 ( 1.063 -2.775 1.743) 3.446 2.199 ( -0.623 -2.957 -1.710) 3.472 2.233 ( -0.434 1.572 0.079) 1.633 2.276 ( -0.440 1.652 -0.217) 1.723 2.337 ( -2.352 -2.181 2.167) 3.871 2.376 ( -0.799 -1.968 0.941) 2.323 2.396 ( -0.000 0.721 -2.243) 2.356 2.410 ( -2.719 -3.319 -1.758) 4.636 2.471 ( -1.956 -2.716 -0.460) 3.379 2.497 ( -2.289 -1.611 0.632) 2.870 2.561 ( -5.002 2.358 -1.518) 5.734 2.576 ( -0.324 2.295 -0.102) 2.320 2.614 ( -1.755 -1.405 -0.073) 2.249 2.662 ( 0.491 -0.709 -0.850) 1.211 2.707 ( 1.620 -1.051 0.491) 1.993 2.728 ( -1.814 -0.959 -0.003) 2.052 2.810 ( -1.303 0.894 0.927) 1.832 2.818 ( -3.406 -1.562 0.302) 3.759 2.917 ( -0.988 5.010 -0.263) 5.113 2.976 ( 0.309 1.159 3.579) 3.774 3.013 ( -1.892 -3.755 2.574) 4.930 3.083 ( -2.078 3.275 -2.709) 4.731 3.161 ( 3.405 1.058 -3.656) 5.106 3.212 ( 1.504 1.348 1.355) 2.432 3.219 ( 7.046 0.777 2.250) 7.437 3.248 ( 2.594 -2.873 -3.894) 5.491 3.409 ( -1.051 1.322 1.363) 2.170 3.492 ( 1.550 0.095 1.234) 1.983 3.512 ( -5.336 -1.207 1.279) 5.619 3.670 ( 1.436 -3.995 -3.446) 5.468 3.726 ( 0.457 -3.314 0.597) 3.398 3.777 ( -0.526 -4.717 -1.119) 4.876 3.985 ( 3.317 5.322 -1.371) 6.419 4.024 ( 3.740 4.101 -3.478) 6.550 4.341 ( 1.438 -2.870 5.193) 6.105 4.364 ( -0.696 -1.498 0.025) 1.652 4.737 ( -2.768 -0.765 0.304) 2.888 4.861 ( 1.695 -3.444 -2.732) 4.712 5.340 ( -6.388 4.678 5.605) 9.701 5.471 ( -4.233 3.235 -2.934) 6.082 5.575 ( -3.442 -3.666 0.625) 5.068 5.590 ( -4.359 -1.416 -2.171) 5.071 7.021 ( 1.314 0.401 2.458) 2.816 7.094 ( 2.099 -3.345 -1.565) 4.248 7.883 ( 0.664 -0.677 -1.598) 1.858 7.938 ( 1.992 -3.959 -2.453) 5.066 8.846 ( 0.006 7.766 5.962) 9.791 8.907 ( -0.265 5.248 2.234) 5.710 9.418 ( -2.886 -1.203 6.689) 7.384 9.510 ( -3.603 -5.854 -0.691) 6.909 10.103 ( -1.854 2.096 4.729) 5.495 10.180 ( -1.414 -0.241 5.674) 5.852 10.334 ( -0.508 -0.338 -7.252) 7.277 10.422 ( -0.314 -1.794 -12.534) 12.665 10.678 ( -0.622 3.080 -1.842) 3.643 10.879 ( 1.492 -3.872 -4.260) 5.947 11.153 ( 1.025 3.794 3.023) 4.958 11.176 ( 2.761 3.690 3.050) 5.526 11.541 ( -1.729 4.024 4.933) 6.597 11.580 ( 1.927 5.617 4.115) 7.224 11.796 ( 1.467 -2.584 -1.617) 3.383 11.884 ( 3.861 -9.318 8.099) 12.935 12.102 ( -1.487 0.364 -9.552) 9.674 12.274 ( -2.941 -3.061 -1.708) 4.575 12.355 ( 6.228 5.098 2.923) 8.562 12.494 ( -0.351 2.698 3.454) 4.397 12.591 ( 0.515 5.073 -1.758) 5.394 12.680 ( 1.299 0.264 -5.156) 5.324 12.941 ( -1.813 -2.862 1.222) 3.601 13.005 ( 1.527 -3.142 -0.532) 3.533 13.200 ( -1.534 -2.324 -0.209) 2.793 13.231 ( 0.968 -5.972 4.523) 7.554 13.487 ( -0.993 -1.070 1.699) 2.240 13.506 ( -1.250 2.783 -1.608) 3.449 13.716 ( -0.931 1.274 5.045) 5.286 13.770 ( -2.352 2.841 0.789) 3.771 13.870 ( 2.599 3.412 -2.577) 5.004 13.947 ( -0.467 -5.351 -6.203) 8.206 14.111 ( -4.309 -0.308 -1.826) 4.690 14.256 ( 2.787 -3.065 -1.093) 4.285 14.289 ( 0.435 2.276 -0.127) 2.321 14.384 ( 3.898 0.868 0.767) 4.066 14.522 ( 2.062 6.324 6.043) 8.986 14.690 ( 1.258 2.428 -4.773) 5.501 15.009 ( -2.180 -8.349 -2.181) 8.900 15.063 ( 2.737 -5.579 2.085) 6.554 15.356 ( -3.635 -2.411 3.834) 5.807 15.453 ( -2.899 -4.259 -2.431) 5.697 16.501 ( -6.322 7.519 -3.745) 10.513 16.520 ( -4.013 7.609 -0.356) 8.610 ======================= Grid point 83 (41/76) ======================= q-point: ( 0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 6.424 6.434 -0.184) 9.094 0.631 ( 5.890 -0.264 3.622) 6.920 0.762 ( 7.767 -2.977 3.205) 8.914 0.890 ( 9.510 -2.083 -2.346) 10.014 1.026 ( -1.296 -1.885 0.983) 2.490 1.038 ( 3.418 -4.165 -0.890) 5.461 1.132 ( 5.234 -4.323 -2.195) 7.135 1.169 ( 2.077 -4.045 2.164) 5.036 1.203 ( -1.030 -0.969 -3.178) 3.478 1.267 ( 1.451 -3.303 -1.923) 4.088 1.314 ( 4.929 -4.077 0.649) 6.429 1.345 ( 1.146 0.353 1.168) 1.674 1.380 ( 5.085 -7.243 -1.152) 8.925 1.452 ( 0.026 -2.219 1.596) 2.733 1.507 ( 1.464 0.808 -0.647) 1.793 1.547 ( 3.861 -0.973 -0.572) 4.022 1.640 ( 2.627 2.671 0.719) 3.815 1.652 ( 3.977 1.004 0.284) 4.112 1.653 ( 5.885 3.216 -0.349) 6.715 1.690 ( 2.738 2.218 0.147) 3.527 1.741 ( 2.630 1.063 0.510) 2.882 1.772 ( 0.148 -0.577 -0.678) 0.902 1.826 ( -2.651 0.187 2.043) 3.352 1.869 ( 2.367 1.984 1.316) 3.357 1.886 ( 1.393 1.851 -1.203) 2.610 1.956 ( 0.385 -1.899 -0.231) 1.952 2.008 ( 0.455 0.124 2.032) 2.086 2.034 ( 0.598 0.060 0.276) 0.662 2.074 ( -0.930 0.431 -0.736) 1.262 2.135 ( 1.425 -0.385 -0.645) 1.611 2.170 ( -0.640 0.140 -0.425) 0.781 2.204 ( 0.729 -2.577 2.092) 3.399 2.220 ( -0.467 0.894 -0.453) 1.106 2.265 ( 0.095 0.160 -0.907) 0.926 2.281 ( -2.762 -0.905 -1.783) 3.410 2.309 ( -5.117 -2.977 -1.048) 6.012 2.337 ( -3.042 -2.707 -1.043) 4.203 2.407 ( -3.577 -0.935 0.903) 3.806 2.440 ( 1.237 1.840 2.866) 3.623 2.451 ( -2.988 -1.435 -0.278) 3.326 2.481 ( -1.672 -2.073 -0.658) 2.744 2.566 ( -1.438 0.544 -0.400) 1.589 2.567 ( -2.637 -1.310 -0.670) 3.020 2.659 ( -3.996 -3.032 0.247) 5.023 2.678 ( 1.672 -0.211 -0.223) 1.700 2.714 ( -0.833 0.350 -2.061) 2.250 2.750 ( -2.957 -1.267 1.112) 3.403 2.807 ( -1.202 -2.330 2.558) 3.663 2.874 ( -1.843 3.923 -1.812) 4.698 2.959 ( -3.234 2.498 0.574) 4.127 3.031 ( 0.795 -3.647 2.943) 4.754 3.112 ( 2.069 0.843 2.096) 3.063 3.188 ( 4.354 3.860 -1.434) 5.993 3.225 ( -0.747 1.047 -0.727) 1.477 3.246 ( 3.268 1.309 -4.382) 5.621 3.345 ( -0.599 1.757 0.520) 1.927 3.398 ( -2.930 0.913 0.143) 3.072 3.463 ( 5.328 7.166 0.860) 8.970 3.549 ( 1.899 -2.379 2.183) 3.746 3.687 ( 1.686 -4.403 -0.867) 4.794 3.735 ( 0.895 -3.644 0.533) 3.790 3.789 ( 0.613 -4.547 1.716) 4.899 4.025 ( 2.854 5.969 -4.323) 7.903 4.069 ( 2.515 0.660 0.621) 2.673 4.349 ( 0.991 0.368 -1.826) 2.110 4.410 ( 1.991 -2.163 2.119) 3.624 4.673 ( -4.588 0.057 -0.234) 4.594 4.869 ( 0.489 -4.444 -0.627) 4.515 5.236 ( -8.932 4.789 4.824) 11.225 5.328 ( -7.254 1.791 -3.905) 8.431 5.465 ( -4.465 -0.073 -2.018) 4.900 5.519 ( -4.562 -2.656 1.748) 5.561 7.060 ( 1.116 -0.409 0.995) 1.550 7.121 ( 1.881 -3.189 -1.324) 3.932 7.897 ( 1.476 0.786 -0.250) 1.691 7.963 ( 1.440 -3.983 -0.266) 4.243 8.882 ( -0.658 7.503 2.837) 8.048 8.885 ( -1.999 7.350 -1.411) 7.746 9.405 ( -3.569 -2.644 1.818) 4.799 9.430 ( -3.838 -3.445 1.617) 5.405 10.107 ( -0.864 1.108 3.933) 4.176 10.184 ( -3.601 0.319 5.436) 6.528 10.282 ( 0.540 -1.458 -8.376) 8.519 10.350 ( 1.458 -0.926 -3.025) 3.484 10.645 ( -0.371 3.746 -2.529) 4.535 10.861 ( 0.591 -3.849 -3.293) 5.099 11.177 ( -1.271 8.357 1.053) 8.518 11.215 ( 0.816 4.875 -1.397) 5.137 11.571 ( 0.152 -2.146 5.761) 6.149 11.700 ( 2.345 3.202 9.527) 10.320 11.821 ( 5.287 -4.829 -7.205) 10.158 12.024 ( 2.131 -0.388 -4.414) 4.916 12.040 ( 3.997 -5.287 5.899) 8.873 12.198 ( -1.260 -3.580 -3.554) 5.199 12.492 ( 6.389 5.200 -3.374) 8.902 12.526 ( 0.635 0.568 3.700) 3.797 12.600 ( 1.441 5.836 -1.668) 6.238 12.700 ( 4.982 -0.025 0.607) 5.019 12.892 ( -3.168 -2.149 0.778) 3.906 13.016 ( -0.463 -2.451 0.146) 2.499 13.171 ( 1.097 -0.038 -2.937) 3.135 13.283 ( 0.675 -4.760 1.390) 5.004 13.456 ( -3.765 3.516 1.068) 5.262 13.470 ( -3.906 3.104 3.820) 6.283 13.696 ( -6.436 0.992 0.848) 6.567 13.761 ( 2.109 3.661 1.579) 4.510 13.813 ( -4.737 -4.374 -6.395) 9.082 13.949 ( 3.790 -0.969 0.117) 3.914 14.060 ( 0.516 -1.743 0.640) 1.927 14.259 ( 0.346 -0.428 -1.604) 1.696 14.323 ( 3.538 -1.207 -2.387) 4.435 14.480 ( 4.828 -0.483 0.939) 4.942 14.632 ( 2.793 5.333 6.242) 8.672 14.673 ( 1.238 3.657 -4.079) 5.617 14.951 ( -1.765 -5.466 -1.601) 5.963 15.094 ( -1.486 -9.744 -0.309) 9.862 15.332 ( -3.904 -2.211 5.119) 6.807 15.363 ( -3.117 -3.163 -1.887) 4.825 16.334 ( -7.474 8.814 -3.176) 11.985 16.425 ( -6.415 4.651 1.688) 8.101 ======================= Grid point 84 (42/76) ======================= q-point: ( 0.33 0.33 -0.75) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 5.841 5.017 0.116) 7.700 0.746 ( 2.588 -5.714 4.658) 7.813 0.896 ( 2.965 -11.977 0.025) 12.338 0.955 ( 2.960 -1.073 -2.365) 3.938 1.071 ( 3.056 3.387 -2.444) 5.175 1.087 ( 2.893 -1.949 1.407) 3.761 1.158 ( -0.012 -3.700 -1.695) 4.069 1.196 ( 2.756 -0.593 -2.132) 3.534 1.258 ( -0.279 -5.984 0.455) 6.008 1.273 ( 4.837 -1.947 4.272) 6.741 1.357 ( 1.383 -1.223 0.095) 1.848 1.419 ( 2.363 -1.602 1.141) 3.074 1.456 ( 3.666 -4.399 -1.123) 5.835 1.522 ( 3.781 -3.501 1.740) 5.439 1.530 ( 2.406 -1.563 0.270) 2.882 1.599 ( 2.430 -2.815 -0.655) 3.776 1.658 ( -0.258 0.981 -2.261) 2.478 1.680 ( 1.054 -0.546 0.288) 1.222 1.696 ( 0.212 3.356 1.156) 3.556 1.760 ( -2.399 -0.818 1.173) 2.792 1.779 ( -1.027 -2.964 0.923) 3.270 1.824 ( 6.409 -0.534 -0.333) 6.440 1.858 ( 5.250 0.851 0.896) 5.394 1.875 ( 4.387 1.398 -3.571) 5.827 1.962 ( 1.905 -1.034 -0.039) 2.167 1.976 ( 1.704 -0.217 0.355) 1.754 2.022 ( -0.840 -0.920 0.934) 1.557 2.055 ( 2.109 0.764 1.214) 2.550 2.066 ( 0.827 -3.258 -0.950) 3.493 2.105 ( -4.715 2.599 -1.589) 5.613 2.140 ( -0.896 -0.164 0.297) 0.958 2.196 ( -0.866 0.281 -1.390) 1.662 2.209 ( -1.439 -0.362 -2.990) 3.338 2.232 ( -0.496 -2.250 0.850) 2.456 2.252 ( 0.290 -1.109 -1.553) 1.930 2.259 ( -3.591 -2.873 -0.458) 4.622 2.269 ( 1.010 -1.703 -0.862) 2.159 2.370 ( -1.515 0.267 0.922) 1.793 2.386 ( -1.858 -1.926 -1.609) 3.123 2.447 ( -2.715 -3.001 0.262) 4.056 2.469 ( -1.168 0.540 1.356) 1.870 2.495 ( -3.006 -0.784 1.072) 3.287 2.554 ( -0.728 -1.306 2.382) 2.813 2.598 ( -3.342 -2.381 0.176) 4.108 2.674 ( -1.568 0.479 0.638) 1.759 2.694 ( -0.606 -0.867 -0.348) 1.113 2.752 ( 2.752 0.729 0.798) 2.957 2.781 ( -2.080 -0.624 -0.125) 2.176 2.832 ( -1.068 4.809 -1.798) 5.244 2.957 ( 1.187 4.269 2.532) 5.103 3.054 ( 0.055 -3.852 -1.295) 4.064 3.115 ( -1.167 -4.466 1.261) 4.785 3.178 ( -1.881 1.219 -1.998) 3.003 3.256 ( 1.369 -1.144 -1.450) 2.299 3.302 ( -2.729 0.292 0.273) 2.758 3.339 ( 4.257 10.051 2.083) 11.113 3.346 ( 1.009 2.220 -1.400) 2.811 3.561 ( -0.231 3.401 2.924) 4.491 3.612 ( 5.013 4.798 0.947) 7.003 3.727 ( 3.059 -2.152 0.009) 3.740 3.781 ( 1.533 -2.496 -0.247) 2.939 3.822 ( 3.608 -1.393 1.404) 4.115 4.008 ( -0.834 6.319 -3.309) 7.182 4.133 ( 2.258 -5.693 3.641) 7.125 4.367 ( 0.221 1.878 -0.699) 2.016 4.461 ( 3.040 -1.064 -1.694) 3.639 4.549 ( -5.505 2.171 -2.884) 6.583 4.865 ( -1.516 -4.999 1.652) 5.479 5.094 ( -7.427 3.864 -0.596) 8.393 5.164 ( -7.590 1.056 0.375) 7.673 5.396 ( -1.892 0.427 -0.170) 1.947 5.454 ( -3.214 -1.407 0.867) 3.614 7.084 ( 1.129 -1.347 0.100) 1.761 7.136 ( 0.495 -3.570 -0.598) 3.653 7.929 ( 1.255 1.302 1.157) 2.147 7.978 ( 0.071 -2.721 0.351) 2.744 8.833 ( -1.562 7.644 -1.659) 7.976 8.869 ( -1.302 6.871 -0.498) 7.011 9.332 ( -2.741 -0.044 -2.173) 3.498 9.373 ( -3.522 -3.507 -0.919) 5.054 10.138 ( -3.799 3.792 2.213) 5.806 10.148 ( 0.523 -1.340 3.093) 3.411 10.241 ( 1.348 -0.514 -3.479) 3.766 10.379 ( 1.668 -2.157 0.418) 2.759 10.638 ( 0.613 4.947 0.777) 5.045 10.855 ( 0.224 -3.988 0.316) 4.007 11.133 ( -0.833 10.063 -4.659) 11.121 11.201 ( -1.092 3.956 -0.842) 4.190 11.610 ( 0.394 -6.903 0.718) 6.951 11.748 ( -0.113 -9.506 -4.926) 10.707 11.875 ( 2.246 3.093 4.480) 5.889 12.074 ( 0.625 -3.018 5.973) 6.722 12.165 ( 5.920 -0.676 2.658) 6.525 12.215 ( 5.138 -1.997 -0.964) 5.596 12.531 ( 1.194 3.893 -2.547) 4.803 12.592 ( 6.868 6.443 -4.887) 10.609 12.648 ( 3.228 1.110 2.745) 4.380 12.815 ( 4.315 -2.210 -1.862) 5.193 12.895 ( 1.928 1.252 6.039) 6.461 12.998 ( -1.951 -0.040 1.097) 2.239 13.183 ( 2.200 -1.833 -0.876) 2.995 13.265 ( -1.022 -2.921 -4.276) 5.279 13.365 ( -6.796 5.342 1.331) 8.746 13.416 ( -5.577 2.608 3.221) 6.948 13.547 ( -6.026 0.904 -3.214) 6.889 13.632 ( -8.664 -4.589 -3.023) 10.259 13.854 ( 4.903 1.929 1.276) 5.421 14.023 ( 2.743 -1.544 0.983) 3.298 14.125 ( 3.589 -2.047 3.285) 5.279 14.259 ( 1.294 -0.033 -1.961) 2.349 14.377 ( 3.611 -0.249 -1.553) 3.939 14.568 ( 3.643 -0.518 0.213) 3.686 14.648 ( 1.146 2.163 -2.573) 3.551 14.740 ( 1.647 5.587 4.703) 7.486 14.910 ( -1.803 -6.551 -0.433) 6.809 15.023 ( -4.442 -5.220 -0.494) 6.872 15.238 ( -3.722 -2.536 -3.104) 5.470 15.352 ( -2.211 -6.619 3.774) 7.934 16.187 ( -5.169 9.314 -1.686) 10.785 16.315 ( -6.110 2.788 1.040) 6.796 ======================= Grid point 85 (43/76) ======================= q-point: ( 0.44 0.33 -0.75) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.613 -5.190 0.267) 5.233 0.836 ( 2.795 -2.684 3.289) 5.082 0.899 ( -0.585 -12.227 -1.310) 12.311 0.993 ( -0.051 -7.003 1.392) 7.140 1.089 ( 1.176 0.983 -0.586) 1.641 1.141 ( 1.404 -1.553 -1.068) 2.350 1.161 ( 2.806 -1.820 -1.371) 3.615 1.219 ( -0.183 -2.408 1.203) 2.698 1.279 ( 1.391 -0.434 0.839) 1.681 1.373 ( 1.594 2.040 0.734) 2.691 1.398 ( 2.699 -1.098 -0.241) 2.923 1.431 ( -2.856 -2.832 -3.112) 5.085 1.470 ( 0.985 -1.915 3.698) 4.280 1.541 ( -0.786 -0.324 2.011) 2.183 1.612 ( 0.707 -1.233 0.730) 1.597 1.631 ( 1.324 -1.985 -2.951) 3.795 1.657 ( 2.582 -1.788 -0.191) 3.146 1.689 ( -2.018 -5.326 1.565) 5.906 1.706 ( 0.311 -1.615 0.068) 1.647 1.729 ( 2.002 2.534 0.442) 3.260 1.782 ( -0.464 -4.241 0.922) 4.365 1.874 ( -1.812 -1.259 2.440) 3.290 1.908 ( 3.145 -0.089 -3.961) 5.059 1.937 ( 0.859 -1.145 -2.405) 2.799 1.964 ( 0.058 0.700 -2.921) 3.004 1.982 ( -1.357 0.220 -0.094) 1.378 2.019 ( -0.179 -2.403 -1.996) 3.129 2.029 ( 2.649 -1.234 -0.005) 2.923 2.082 ( -0.076 -2.412 0.409) 2.447 2.121 ( -1.042 -2.643 0.500) 2.885 2.149 ( 0.746 0.663 -0.623) 1.176 2.159 ( -0.423 -1.407 -1.426) 2.048 2.185 ( 2.301 1.133 -1.701) 3.078 2.187 ( -0.958 -0.548 -0.978) 1.474 2.222 ( 0.457 -1.541 -2.132) 2.669 2.248 ( -0.098 -0.184 0.277) 0.347 2.293 ( 1.230 -2.138 0.655) 2.552 2.355 ( 0.742 -2.330 -1.396) 2.816 2.376 ( -0.696 -0.412 2.988) 3.095 2.403 ( -2.076 -1.277 2.155) 3.253 2.466 ( 0.092 0.311 1.586) 1.619 2.484 ( -0.606 -1.395 2.811) 3.196 2.527 ( -2.369 -2.298 0.087) 3.301 2.562 ( -1.132 -3.290 2.060) 4.043 2.641 ( -2.512 1.563 -0.889) 3.089 2.674 ( -1.853 -0.400 -2.138) 2.858 2.762 ( 1.376 3.150 0.417) 3.463 2.805 ( 1.336 0.119 -0.229) 1.361 2.815 ( 0.204 5.031 0.289) 5.044 2.987 ( -0.185 1.537 -3.203) 3.557 3.039 ( 0.511 0.484 1.596) 1.744 3.111 ( -0.057 -2.917 0.799) 3.025 3.139 ( -0.721 2.192 -0.692) 2.409 3.254 ( 0.169 0.156 -1.444) 1.462 3.263 ( -1.055 -2.437 -0.077) 2.656 3.306 ( -1.592 -0.881 -0.735) 1.962 3.456 ( 2.237 8.048 2.243) 8.649 3.582 ( 0.159 6.080 4.053) 7.309 3.698 ( 2.738 1.054 1.615) 3.349 3.767 ( -0.510 -4.433 1.418) 4.682 3.790 ( 2.126 3.568 -2.599) 4.899 3.927 ( 2.308 4.617 -1.258) 5.313 3.989 ( 3.653 5.881 1.357) 7.055 4.182 ( -5.303 -3.292 3.757) 7.285 4.280 ( -0.945 -1.331 -4.615) 4.895 4.405 ( -2.616 -5.474 -3.522) 7.015 4.595 ( 6.876 6.936 0.494) 9.779 4.824 ( -4.219 0.142 0.324) 4.233 4.998 ( -2.025 -0.733 0.583) 2.231 5.050 ( -3.994 -0.448 0.241) 4.027 5.381 ( -0.242 0.304 0.847) 0.932 5.418 ( -1.103 -0.879 0.162) 1.419 7.107 ( 0.668 -2.236 0.509) 2.388 7.133 ( 0.046 -3.692 -0.529) 3.730 7.957 ( 0.386 1.282 1.353) 1.904 7.977 ( -0.328 -1.451 0.728) 1.656 8.807 ( -0.296 7.260 -0.622) 7.293 8.844 ( -0.253 7.444 -0.939) 7.507 9.268 ( -1.336 0.432 -3.615) 3.878 9.291 ( -2.082 -3.166 -4.683) 6.024 10.086 ( -1.954 3.486 0.043) 3.997 10.141 ( -1.927 -1.333 -1.447) 2.754 10.290 ( 3.157 1.194 3.272) 4.701 10.418 ( 1.591 -2.353 1.258) 3.106 10.672 ( 0.496 6.038 3.652) 7.074 10.880 ( 0.560 -3.871 3.995) 5.591 11.080 ( 1.008 9.722 -8.016) 12.641 11.167 ( -1.700 3.273 -0.294) 3.700 11.588 ( -1.106 -10.512 -3.856) 11.251 11.668 ( -0.743 -11.643 -9.611) 15.115 11.958 ( -0.452 4.565 10.593) 11.544 12.146 ( 1.685 -3.712 5.251) 6.647 12.287 ( 3.471 -0.062 2.675) 4.383 12.322 ( 2.725 -1.280 6.470) 7.136 12.515 ( 0.126 3.671 -3.430) 5.026 12.709 ( 3.317 -0.325 0.688) 3.403 12.712 ( 5.908 4.462 -3.356) 8.129 12.867 ( 3.431 1.755 -4.232) 5.724 12.963 ( -1.313 1.798 5.488) 5.922 12.975 ( -1.262 2.187 2.092) 3.279 13.159 ( -6.194 1.472 -2.074) 6.696 13.228 ( -3.966 2.720 0.508) 4.836 13.264 ( 3.198 3.428 -4.342) 6.390 13.342 ( -2.222 -4.333 -3.691) 6.110 13.421 ( -1.861 -1.079 -2.072) 2.987 13.511 ( -3.658 -5.093 3.582) 7.222 13.941 ( 2.628 0.725 1.279) 3.011 14.048 ( -0.229 -0.923 -1.153) 1.494 14.210 ( 0.817 -2.547 3.489) 4.396 14.277 ( 1.891 -0.460 -0.825) 2.114 14.424 ( 2.203 2.485 0.802) 3.417 14.609 ( 0.696 3.425 -1.568) 3.830 14.685 ( 3.852 -0.790 -0.191) 3.937 14.766 ( -1.394 2.947 1.121) 3.447 14.872 ( -2.085 -5.937 1.051) 6.380 14.945 ( -3.381 -3.444 -0.197) 4.830 15.196 ( 2.031 -3.094 -1.203) 3.891 15.316 ( -3.526 -7.424 0.603) 8.240 16.123 ( -0.762 8.211 0.176) 8.248 16.223 ( -3.415 2.838 -0.676) 4.491 ======================= Grid point 86 (44/76) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -3.537 -7.015 1.369) 7.975 0.851 ( -0.805 -11.780 -3.748) 12.388 0.910 ( -0.834 -2.868 6.724) 7.357 0.985 ( -0.911 -4.882 0.138) 4.968 1.092 ( -0.316 -1.922 -0.440) 1.997 1.120 ( -0.555 -2.940 -2.068) 3.637 1.165 ( -5.785 -1.398 -1.265) 6.084 1.264 ( 4.014 -1.531 2.405) 4.924 1.296 ( -2.409 0.390 1.596) 2.916 1.325 ( -0.562 -1.918 -0.918) 2.200 1.384 ( 0.232 -2.270 -2.139) 3.128 1.462 ( 2.838 -2.675 -0.332) 3.914 1.472 ( -4.224 -2.004 1.832) 5.021 1.543 ( 0.648 -2.206 1.170) 2.580 1.602 ( -3.478 1.191 0.507) 3.711 1.621 ( 0.759 -1.763 0.870) 2.107 1.637 ( -3.862 -2.145 0.217) 4.423 1.699 ( -1.391 -1.675 -1.242) 2.507 1.706 ( 1.995 -0.728 -0.888) 2.302 1.767 ( -1.308 0.107 1.695) 2.144 1.789 ( 1.096 1.679 0.167) 2.012 1.840 ( -2.204 -0.542 2.304) 3.234 1.896 ( -2.277 0.317 -2.406) 3.327 1.921 ( -0.394 -2.296 -2.697) 3.563 1.942 ( 0.425 -1.167 -0.261) 1.269 1.988 ( 2.107 -2.312 -3.529) 4.715 2.003 ( -2.147 -0.698 -3.273) 3.976 2.019 ( 0.568 -3.143 -0.140) 3.197 2.076 ( -0.334 -2.731 1.449) 3.110 2.113 ( -2.412 -0.494 -0.096) 2.464 2.114 ( 0.683 -2.483 1.101) 2.801 2.171 ( 1.600 0.651 -1.161) 2.082 2.183 ( 1.854 -0.192 -1.085) 2.156 2.197 ( -1.116 -0.373 -0.528) 1.290 2.241 ( 2.396 0.022 -2.269) 3.300 2.284 ( 3.051 -0.658 -1.471) 3.450 2.324 ( 0.448 -3.797 0.719) 3.890 2.353 ( 0.147 -2.946 -1.535) 3.325 2.361 ( -2.358 1.599 3.172) 4.263 2.429 ( 0.034 -1.043 2.509) 2.718 2.494 ( 0.321 -1.803 3.273) 3.750 2.499 ( -0.484 -0.870 0.733) 1.236 2.510 ( 1.331 -0.537 1.915) 2.393 2.584 ( -0.160 -2.250 1.038) 2.483 2.605 ( 2.244 -0.061 -1.010) 2.462 2.620 ( 0.968 0.144 -2.204) 2.412 2.785 ( -1.627 0.791 -0.068) 1.810 2.803 ( -0.262 0.246 -0.180) 0.402 2.837 ( 1.749 6.115 1.257) 6.483 2.935 ( -0.540 2.913 -5.215) 5.997 3.038 ( -2.779 1.096 2.930) 4.184 3.133 ( 1.199 -3.285 0.730) 3.573 3.156 ( 2.353 3.087 0.383) 3.900 3.229 ( -0.780 -1.880 -2.728) 3.404 3.265 ( 0.128 -0.088 -0.587) 0.607 3.295 ( 2.110 -0.623 -0.299) 2.220 3.466 ( -3.102 7.703 3.696) 9.090 3.615 ( -1.205 5.808 4.166) 7.248 3.739 ( -0.001 2.166 -2.062) 2.991 3.746 ( -0.999 -1.510 -2.260) 2.896 3.787 ( -2.356 -0.915 2.588) 3.617 3.930 ( -0.660 0.145 0.541) 0.865 3.983 ( -6.126 6.319 0.538) 8.818 4.133 ( 2.883 5.116 1.092) 5.973 4.331 ( 3.826 -6.341 0.218) 7.409 4.354 ( 3.153 -6.194 -5.793) 9.048 4.664 ( -4.729 4.441 0.679) 6.523 4.795 ( 6.211 6.992 -0.855) 9.391 4.931 ( -4.380 -2.652 1.342) 5.293 5.105 ( 7.298 -2.330 0.126) 7.662 5.397 ( 1.046 0.323 1.109) 1.558 5.411 ( 0.248 -1.087 -0.095) 1.119 7.097 ( -1.608 -1.534 0.235) 2.235 7.148 ( 1.316 -4.229 -0.256) 4.437 7.964 ( -0.502 0.712 1.505) 1.739 7.987 ( 0.403 -0.846 0.658) 1.145 8.797 ( -0.545 8.484 -0.633) 8.525 8.845 ( 0.616 7.566 -0.516) 7.609 9.204 ( -1.429 -1.399 -5.154) 5.528 9.251 ( 2.314 -3.121 -3.482) 5.217 10.068 ( -0.369 2.011 0.621) 2.136 10.093 ( -1.266 0.029 -0.965) 1.592 10.387 ( 3.491 1.839 3.831) 5.499 10.447 ( 0.683 -1.093 0.150) 1.297 10.716 ( 0.828 6.860 3.891) 7.930 10.934 ( 0.995 -3.366 3.841) 5.203 11.030 ( 0.674 8.470 -7.250) 11.169 11.137 ( -0.971 2.471 -0.837) 2.784 11.522 ( -2.148 -10.598 -2.865) 11.186 11.575 ( -0.733 -11.203 -8.046) 13.812 12.024 ( -2.086 4.915 9.296) 10.721 12.214 ( 1.647 -1.548 2.610) 3.453 12.324 ( -1.883 -0.770 2.006) 2.858 12.387 ( -4.773 -1.060 9.729) 10.888 12.497 ( 1.804 1.594 -4.249) 4.883 12.653 ( -6.898 -4.917 -0.319) 8.477 12.778 ( 1.491 5.384 -4.551) 7.206 12.873 ( 0.702 -0.435 -3.115) 3.222 12.928 ( -5.506 2.619 2.842) 6.727 13.000 ( 1.155 7.252 3.154) 7.991 13.048 ( -2.181 1.279 0.894) 2.682 13.193 ( -0.528 -0.301 -2.427) 2.502 13.274 ( 3.166 2.061 -4.093) 5.570 13.312 ( 6.443 6.614 -3.423) 9.848 13.448 ( -1.060 -7.126 1.520) 7.363 13.566 ( 7.658 -6.419 0.874) 10.031 13.945 ( -3.747 -0.108 1.072) 3.899 14.028 ( 0.298 -0.377 -0.985) 1.096 14.195 ( -3.982 -1.630 2.442) 4.947 14.312 ( 1.693 -1.623 -0.004) 2.345 14.481 ( 0.998 2.361 3.046) 3.981 14.558 ( -3.093 4.216 -3.905) 6.526 14.706 ( -4.548 1.549 -0.374) 4.819 14.744 ( 0.437 0.773 1.692) 1.911 14.887 ( 1.918 -4.589 0.951) 5.064 14.934 ( 4.571 -4.911 -0.346) 6.718 15.234 ( -4.036 -4.507 -2.210) 6.441 15.274 ( 4.808 -5.589 1.683) 7.562 16.158 ( 2.953 6.076 1.167) 6.855 16.189 ( 1.828 4.624 -1.660) 5.242 ======================= Grid point 87 (45/76) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -6.734 -4.213 2.681) 8.384 0.799 ( -2.187 -7.869 -1.763) 8.355 0.900 ( -6.284 -0.322 -0.114) 6.294 0.940 ( -4.139 0.628 3.141) 5.233 1.039 ( -3.472 -9.886 -1.588) 10.598 1.091 ( -0.013 -2.556 1.196) 2.822 1.102 ( -0.453 -2.199 -1.012) 2.463 1.210 ( -4.416 -0.249 -0.653) 4.470 1.290 ( -1.442 -4.202 -0.422) 4.462 1.366 ( -2.346 -6.847 -3.949) 8.245 1.381 ( 0.841 -3.042 -0.473) 3.191 1.400 ( -0.623 -4.744 2.674) 5.481 1.486 ( -2.086 1.116 3.779) 4.458 1.529 ( -1.406 0.131 -0.570) 1.523 1.558 ( -2.974 -1.000 1.532) 3.491 1.582 ( -5.433 -0.472 -0.509) 5.477 1.614 ( -0.377 0.491 3.057) 3.119 1.653 ( -1.039 0.726 -0.156) 1.277 1.715 ( -3.807 0.852 -0.964) 4.018 1.732 ( -1.632 2.857 -1.758) 3.730 1.752 ( -0.559 0.146 -2.631) 2.694 1.817 ( -2.111 0.532 0.366) 2.207 1.830 ( -2.820 0.848 1.198) 3.179 1.870 ( -3.113 -0.441 -0.267) 3.155 1.936 ( -3.176 -1.058 -2.037) 3.919 1.958 ( 0.295 0.993 1.305) 1.666 1.995 ( -2.363 -0.739 1.772) 3.044 2.033 ( 1.323 -2.176 -1.771) 3.102 2.075 ( 1.337 -0.720 -0.744) 1.691 2.103 ( 0.759 -4.827 1.269) 5.049 2.138 ( 1.346 -2.489 -1.248) 3.092 2.164 ( -0.283 0.246 0.462) 0.595 2.201 ( 1.931 -0.050 -1.225) 2.287 2.212 ( 2.398 0.051 -1.425) 2.790 2.273 ( 1.127 -1.177 -2.346) 2.856 2.301 ( 2.277 -0.309 -0.561) 2.366 2.321 ( 0.331 -3.781 -0.091) 3.796 2.351 ( 0.737 -1.129 -0.574) 1.465 2.369 ( 1.164 -0.159 -0.301) 1.212 2.435 ( -0.097 -0.736 1.459) 1.637 2.514 ( 1.769 -0.861 -1.230) 2.320 2.526 ( 0.773 -0.183 2.952) 3.057 2.561 ( 2.660 -1.278 -0.214) 2.959 2.608 ( 2.858 -2.754 1.841) 4.375 2.667 ( 1.224 -0.161 0.795) 1.468 2.681 ( 4.177 0.106 0.872) 4.268 2.743 ( -1.283 -0.269 -0.526) 1.412 2.780 ( -1.179 -0.144 -0.042) 1.189 2.874 ( 0.001 4.731 -2.585) 5.392 2.902 ( 1.856 4.121 0.333) 4.532 3.020 ( -1.742 0.470 3.939) 4.333 3.144 ( -0.732 -4.898 -0.540) 4.982 3.181 ( 0.445 2.831 -2.631) 3.890 3.223 ( 2.564 1.613 0.211) 3.037 3.264 ( 0.340 0.419 -0.532) 0.758 3.342 ( 1.427 -0.368 -0.437) 1.537 3.426 ( -3.096 7.574 2.070) 8.440 3.567 ( -5.944 7.655 -0.721) 9.718 3.630 ( -6.039 -1.340 2.059) 6.519 3.746 ( -0.249 -4.397 1.221) 4.570 3.771 ( -1.199 -3.151 1.153) 3.563 3.878 ( -3.340 -1.900 2.532) 4.602 3.975 ( 2.785 6.625 -5.065) 8.792 4.146 ( -0.986 5.077 0.195) 5.176 4.374 ( -2.419 -4.302 2.913) 5.731 4.436 ( 5.182 -6.203 -0.124) 8.084 4.549 ( -1.570 2.919 -5.118) 6.097 4.902 ( 1.105 -10.875 0.068) 10.931 4.937 ( 6.950 13.917 0.902) 15.582 5.264 ( 8.572 0.401 0.124) 8.582 5.421 ( 1.406 -1.852 -0.638) 2.412 5.453 ( 3.815 0.096 1.266) 4.021 7.061 ( -2.186 0.021 -0.056) 2.187 7.160 ( 0.117 -4.766 -0.447) 4.788 7.971 ( -0.411 -0.298 1.686) 1.761 7.998 ( 0.467 -1.013 -0.064) 1.117 8.771 ( -1.493 9.665 -0.346) 9.786 8.846 ( 0.156 5.798 -1.131) 5.909 9.163 ( 1.030 -0.540 -1.953) 2.273 9.295 ( 4.124 -4.982 -2.205) 6.833 10.076 ( 0.650 1.602 0.770) 1.893 10.090 ( 0.095 0.526 2.540) 2.596 10.444 ( 0.921 1.865 -1.561) 2.600 10.491 ( 3.774 1.463 1.796) 4.428 10.764 ( 1.475 6.472 1.532) 6.812 10.947 ( 2.029 4.110 -9.592) 10.630 10.996 ( -3.086 -0.097 5.969) 6.721 11.110 ( -0.684 1.074 -2.485) 2.792 11.473 ( -0.934 -8.482 -1.002) 8.592 11.520 ( -0.550 -8.740 -0.536) 8.773 12.034 ( -4.019 5.005 6.894) 9.420 12.208 ( -5.535 2.120 -1.454) 6.103 12.285 ( -3.014 0.054 1.739) 3.480 12.297 ( -7.525 -2.146 2.171) 8.121 12.463 ( -4.700 -0.888 -1.348) 4.969 12.518 ( -2.379 -2.053 -3.237) 4.511 12.740 ( -1.983 1.167 -1.986) 3.040 12.842 ( -1.541 -5.253 0.019) 5.474 12.899 ( 0.018 5.952 4.610) 7.529 13.001 ( -1.048 6.965 -1.883) 7.291 13.091 ( 1.247 0.189 4.474) 4.648 13.182 ( 1.047 -0.155 -1.131) 1.549 13.364 ( 6.318 -0.071 -1.577) 6.512 13.416 ( 3.516 0.178 0.068) 3.521 13.442 ( 4.692 1.976 -3.521) 6.190 13.717 ( 6.722 -4.927 -0.517) 8.351 13.878 ( -2.424 0.420 0.555) 2.522 14.027 ( -0.693 -2.473 0.814) 2.694 14.143 ( -3.104 0.450 2.506) 4.015 14.315 ( -1.602 -1.148 -0.811) 2.131 14.430 ( -4.900 3.684 -4.472) 7.588 14.500 ( -2.661 -4.177 2.762) 5.671 14.609 ( -3.990 5.040 -1.033) 6.511 14.779 ( 1.324 3.047 2.733) 4.302 14.943 ( 3.181 -7.090 0.730) 7.805 15.040 ( 2.826 -4.107 -1.501) 5.207 15.155 ( 0.585 -1.375 -1.382) 2.036 15.381 ( 4.320 -8.165 2.210) 9.498 16.214 ( 5.131 8.413 -2.261) 10.110 16.298 ( 7.536 3.915 1.642) 8.650 ======================= Grid point 88 (46/76) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -5.014 1.633 3.741) 6.466 0.693 ( -9.571 8.855 1.307) 13.105 0.760 ( -3.235 -10.846 -2.472) 11.585 0.909 ( -3.685 -2.506 4.902) 6.625 0.974 ( -2.776 -7.717 -1.485) 8.335 1.038 ( -5.005 0.623 -1.737) 5.334 1.095 ( -1.415 -1.546 1.295) 2.464 1.165 ( 0.195 -5.444 -0.627) 5.484 1.189 ( -5.754 -8.813 -3.922) 11.233 1.305 ( -1.511 0.374 -2.916) 3.305 1.358 ( -3.604 -1.271 -0.900) 3.926 1.381 ( -5.189 -6.103 1.530) 8.156 1.424 ( -2.377 1.300 2.559) 3.727 1.479 ( -4.654 1.265 0.410) 4.840 1.504 ( -2.140 -1.046 -0.216) 2.391 1.548 ( 0.379 -0.836 -0.713) 1.163 1.605 ( -2.938 6.888 2.566) 7.916 1.617 ( -3.660 0.837 -0.767) 3.832 1.631 ( -2.860 2.180 0.994) 3.731 1.685 ( -2.335 2.488 -0.716) 3.486 1.716 ( -0.745 0.997 -3.319) 3.545 1.757 ( -3.107 -1.694 2.462) 4.311 1.802 ( -1.486 1.351 0.961) 2.227 1.848 ( -1.294 1.268 -1.451) 2.321 1.852 ( -1.700 -0.968 2.513) 3.185 1.910 ( -4.485 -0.057 -2.298) 5.039 1.974 ( -1.754 -2.431 1.896) 3.547 2.055 ( 2.045 1.096 1.893) 2.994 2.106 ( 1.122 -2.053 -1.090) 2.581 2.131 ( 1.823 -3.705 -0.850) 4.216 2.169 ( 2.086 -2.624 0.097) 3.353 2.186 ( 0.955 1.737 0.395) 2.022 2.226 ( 0.633 -1.459 0.143) 1.596 2.250 ( 2.162 1.218 0.844) 2.621 2.270 ( 1.269 0.795 -2.273) 2.722 2.332 ( -0.388 -1.375 1.513) 2.081 2.358 ( 3.812 -1.455 -3.786) 5.566 2.383 ( 4.325 -1.629 1.318) 4.805 2.411 ( 3.779 -2.233 -0.080) 4.391 2.472 ( 2.845 -3.745 0.676) 4.752 2.536 ( 1.498 0.017 -0.887) 1.741 2.566 ( 0.930 -0.391 1.235) 1.594 2.605 ( 2.296 1.314 -0.957) 2.813 2.647 ( -1.110 0.943 -0.805) 1.664 2.678 ( 0.397 -1.963 -0.334) 2.030 2.716 ( 0.771 -1.833 0.740) 2.122 2.763 ( 2.820 0.726 1.115) 3.118 2.810 ( 2.758 -2.288 1.043) 3.732 2.848 ( 0.664 3.292 -2.493) 4.183 2.951 ( 0.236 1.974 3.503) 4.028 3.042 ( 0.011 0.496 3.685) 3.718 3.111 ( -1.160 -4.355 -1.938) 4.906 3.164 ( -0.966 2.552 -2.510) 3.707 3.234 ( -1.972 0.006 -1.599) 2.539 3.269 ( -0.353 2.963 -0.028) 2.984 3.306 ( 0.114 4.463 -1.125) 4.604 3.414 ( -1.086 -0.769 0.692) 1.500 3.480 ( -4.556 0.985 2.118) 5.120 3.544 ( -2.983 5.108 1.155) 6.027 3.739 ( -1.494 -5.322 -1.098) 5.636 3.776 ( 0.878 -3.001 1.993) 3.708 3.852 ( -1.203 -1.036 1.615) 2.264 3.966 ( 1.472 5.250 -6.081) 8.168 4.140 ( -0.648 3.520 3.039) 4.695 4.263 ( -8.116 -2.489 -2.776) 8.931 4.419 ( -2.751 -4.480 0.755) 5.311 4.635 ( 7.449 -0.499 -0.301) 7.471 4.925 ( 0.321 -8.879 -0.442) 8.896 5.092 ( 8.286 10.155 1.897) 13.243 5.416 ( 7.445 2.978 -0.675) 8.047 5.454 ( 2.956 -3.282 -1.104) 4.553 5.559 ( 5.841 -0.448 0.658) 5.895 7.017 ( -2.452 1.229 0.431) 2.776 7.142 ( -1.453 -4.900 -0.792) 5.172 7.969 ( -1.229 -1.853 1.047) 2.458 8.000 ( 0.604 -2.178 -1.993) 3.013 8.751 ( -1.274 8.783 2.627) 9.256 8.838 ( -0.185 4.021 -0.248) 4.033 9.211 ( 3.326 0.987 2.399) 4.218 9.354 ( 3.596 -5.331 -0.468) 6.448 10.100 ( 0.406 1.705 1.398) 2.242 10.130 ( 0.631 1.081 4.357) 4.534 10.452 ( 2.901 4.217 -4.721) 6.963 10.563 ( 3.949 0.969 -2.921) 5.007 10.793 ( 1.209 5.445 -0.276) 5.584 10.864 ( -1.117 4.025 -10.992) 11.759 11.003 ( -1.570 -1.255 6.003) 6.331 11.066 ( -2.540 -2.655 0.598) 3.722 11.487 ( 1.648 -3.896 3.160) 5.280 11.545 ( 0.692 -5.179 4.499) 6.895 11.965 ( -10.693 1.892 2.601) 11.166 12.033 ( -8.758 -0.045 1.747) 8.931 12.136 ( -3.288 2.607 -6.762) 7.958 12.277 ( -1.588 3.047 1.487) 3.744 12.391 ( -0.749 -0.073 -0.989) 1.243 12.476 ( -1.424 0.249 0.253) 1.467 12.691 ( -2.080 0.422 -0.856) 2.289 12.821 ( 0.744 -9.638 -5.187) 10.971 12.913 ( -1.015 9.819 0.213) 9.874 12.999 ( -1.388 3.067 6.492) 7.313 13.104 ( -1.761 -1.050 -0.705) 2.168 13.199 ( 1.015 -2.957 0.402) 3.152 13.413 ( 2.695 -4.768 -0.944) 5.558 13.485 ( 3.340 -3.856 0.120) 5.103 13.573 ( 6.446 8.794 3.030) 11.316 13.799 ( 2.841 0.116 0.881) 2.976 13.875 ( 2.320 0.455 -4.042) 4.682 14.011 ( -1.534 -3.228 -0.015) 3.574 14.133 ( -0.081 0.332 1.433) 1.473 14.249 ( -2.540 -0.534 -2.517) 3.616 14.302 ( -4.455 3.171 -2.759) 6.125 14.461 ( -3.847 -6.113 2.478) 7.636 14.541 ( -3.184 6.570 0.365) 7.310 14.829 ( 1.158 2.919 3.178) 4.468 14.930 ( -3.340 -4.366 -5.866) 8.039 15.056 ( 3.218 -0.644 1.858) 3.771 15.255 ( 5.988 -6.935 1.316) 9.256 15.465 ( 2.717 -10.187 1.489) 10.647 16.328 ( 8.953 11.825 -2.555) 15.051 16.464 ( 8.024 3.549 0.951) 8.825 ======================= Grid point 89 (47/76) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -6.618 6.541 -0.990) 9.357 0.586 ( -5.548 9.564 3.000) 11.456 0.692 ( -3.141 -9.759 0.663) 10.273 0.825 ( -4.859 -0.439 -7.678) 9.097 0.921 ( -1.680 -3.185 1.195) 3.794 0.959 ( -2.023 0.263 2.407) 3.156 1.058 ( -2.242 -9.899 -1.247) 10.226 1.097 ( -1.471 1.115 1.131) 2.164 1.158 ( -0.932 -2.859 0.778) 3.106 1.213 ( -3.814 -1.640 -1.479) 4.407 1.253 ( -4.996 -1.510 -1.248) 5.366 1.323 ( -2.800 -7.856 1.246) 8.432 1.390 ( -3.951 6.362 -0.480) 7.505 1.429 ( 0.128 0.733 0.775) 1.074 1.486 ( -0.673 -0.376 -0.498) 0.918 1.509 ( -2.967 7.835 1.593) 8.528 1.544 ( -3.905 5.573 1.548) 6.979 1.572 ( -0.940 1.575 -1.174) 2.177 1.595 ( 0.830 1.701 -2.105) 2.831 1.656 ( -0.865 1.238 -0.157) 1.518 1.671 ( -1.304 -0.641 -1.312) 1.958 1.763 ( -0.254 -0.182 2.362) 2.383 1.799 ( -1.117 0.989 1.656) 2.229 1.820 ( -1.073 -2.005 1.453) 2.698 1.848 ( -0.502 -0.953 2.072) 2.336 1.881 ( 1.875 -1.863 1.731) 3.159 1.953 ( -1.860 -2.038 1.898) 3.349 2.082 ( 0.584 2.397 -2.032) 3.196 2.107 ( -0.079 -2.479 -0.893) 2.636 2.142 ( -0.200 -2.023 -1.166) 2.344 2.186 ( -0.113 -0.817 -1.347) 1.580 2.205 ( 1.531 1.524 -0.103) 2.163 2.229 ( 0.652 -3.639 -0.803) 3.783 2.268 ( -0.218 2.566 0.860) 2.715 2.311 ( 1.903 1.125 1.409) 2.622 2.336 ( -0.581 -2.709 2.316) 3.611 2.405 ( 3.961 -2.079 -2.882) 5.321 2.473 ( 2.724 -2.091 -0.695) 3.504 2.504 ( 3.384 -1.619 1.634) 4.091 2.516 ( 1.170 -1.820 -0.930) 2.355 2.551 ( 1.479 0.072 -3.239) 3.562 2.588 ( 2.902 0.158 0.621) 2.972 2.631 ( 0.071 1.553 1.495) 2.157 2.641 ( -0.241 -1.097 -0.124) 1.130 2.671 ( 1.598 0.220 0.989) 1.892 2.745 ( 1.103 -0.043 -1.577) 1.925 2.799 ( 0.346 -1.219 0.481) 1.355 2.866 ( 1.942 -1.072 -0.839) 2.372 2.873 ( 2.577 0.372 1.642) 3.078 2.963 ( -1.960 2.106 3.649) 4.647 3.022 ( -4.029 -2.839 -2.272) 5.427 3.058 ( -1.353 -1.884 1.171) 2.599 3.138 ( 0.245 1.899 0.569) 1.997 3.208 ( 0.210 0.785 -0.698) 1.071 3.256 ( -1.778 2.229 -1.914) 3.435 3.299 ( -0.909 2.349 -2.469) 3.527 3.385 ( -1.582 1.000 0.722) 2.006 3.420 ( -1.204 -1.206 3.120) 3.555 3.545 ( 1.049 5.069 -1.035) 5.279 3.696 ( -1.377 -3.799 -1.002) 4.163 3.810 ( 0.580 -3.745 1.110) 3.949 3.853 ( 0.475 -2.788 -0.986) 2.995 3.943 ( 0.964 3.316 -3.878) 5.192 4.067 ( -7.729 4.767 -3.391) 9.693 4.183 ( 1.040 -2.179 4.396) 5.015 4.388 ( -1.590 -5.265 1.483) 5.696 4.742 ( 3.616 -0.746 0.155) 3.695 4.901 ( -1.235 -4.130 -2.062) 4.778 5.264 ( 6.497 5.213 3.434) 9.010 5.505 ( 2.700 1.262 0.257) 2.991 5.532 ( 5.321 -1.240 -1.719) 5.728 5.656 ( 3.792 -0.890 -0.808) 3.978 6.983 ( -1.776 1.560 1.528) 2.814 7.100 ( -1.826 -4.481 -0.739) 4.895 7.940 ( -1.752 -2.599 -0.638) 3.199 7.981 ( 0.128 -4.219 -4.246) 5.987 8.767 ( -1.030 7.099 5.489) 9.033 8.838 ( -0.353 3.435 1.826) 3.906 9.311 ( 3.582 1.506 4.255) 5.762 9.445 ( 3.747 -6.044 5.339) 8.893 10.104 ( -1.098 2.199 1.074) 2.683 10.165 ( -0.543 0.538 2.737) 2.842 10.464 ( 3.530 6.727 -7.550) 10.711 10.587 ( 2.818 1.017 -7.555) 8.128 10.744 ( -1.502 1.304 -7.743) 7.994 10.819 ( 2.731 0.660 -2.762) 3.940 11.019 ( -0.629 -0.017 4.262) 4.308 11.074 ( -1.598 -3.227 9.694) 10.342 11.561 ( 1.226 -1.332 3.094) 3.584 11.601 ( 1.252 -3.816 4.229) 5.833 11.733 ( -10.658 3.430 -0.981) 11.239 11.905 ( -6.287 -2.192 2.328) 7.053 12.108 ( 4.147 6.431 -4.598) 8.927 12.257 ( -1.507 4.050 0.868) 4.407 12.407 ( 1.956 -0.100 0.978) 2.189 12.454 ( -2.749 -1.269 2.311) 3.809 12.642 ( -1.696 1.063 -1.639) 2.587 12.762 ( -0.298 -3.031 -7.980) 8.541 12.936 ( 1.161 3.749 5.467) 6.730 12.990 ( -3.195 0.076 1.977) 3.758 13.044 ( -1.542 -1.559 -3.497) 4.128 13.235 ( 1.365 -5.181 2.178) 5.783 13.471 ( 1.655 -4.388 2.158) 5.163 13.532 ( 0.687 -7.032 3.242) 7.774 13.674 ( 1.217 8.443 1.044) 8.594 13.855 ( 1.893 2.585 -5.905) 6.718 13.884 ( 3.550 1.259 0.218) 3.773 13.964 ( -2.003 -0.092 -2.037) 2.858 14.123 ( 0.202 0.823 -2.354) 2.502 14.222 ( 0.226 -0.086 -0.611) 0.657 14.252 ( 0.078 1.150 1.937) 2.254 14.395 ( -4.256 -1.816 0.572) 4.662 14.493 ( -3.016 5.014 2.367) 6.311 14.809 ( -2.674 3.400 -6.767) 8.031 14.884 ( 1.127 -1.032 4.397) 4.655 15.120 ( 1.500 -6.716 0.149) 6.883 15.352 ( 3.212 -7.222 0.203) 7.906 15.510 ( 0.890 -9.950 0.767) 10.019 16.485 ( 9.244 11.900 -3.891) 15.563 16.593 ( 4.965 4.405 -1.051) 6.720 ======================= Grid point 90 (48/76) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.165 -6.003 1.927) 6.307 0.510 ( 0.165 6.003 1.927) 6.307 0.639 ( -2.984 -6.053 -5.748) 8.864 0.639 ( -2.984 6.053 -5.748) 8.864 0.906 ( 0.285 -1.713 -1.193) 2.107 0.906 ( 0.285 1.713 -1.193) 2.107 1.044 ( 0.867 -5.803 0.839) 5.927 1.044 ( 0.867 5.803 0.839) 5.927 1.114 ( 0.922 -1.621 2.017) 2.747 1.114 ( 0.922 1.621 2.017) 2.747 1.206 ( 0.364 -1.163 -1.004) 1.578 1.206 ( 0.364 1.163 -1.004) 1.578 1.460 ( -1.024 -2.809 0.989) 3.150 1.460 ( -1.024 2.809 0.989) 3.150 1.486 ( -0.725 -0.799 -0.210) 1.099 1.486 ( -0.725 0.799 -0.210) 1.099 1.568 ( -0.443 -0.881 -1.293) 1.626 1.568 ( -0.443 0.881 -1.293) 1.626 1.627 ( 1.124 -0.419 -1.948) 2.288 1.627 ( 1.124 0.419 -1.948) 2.288 1.770 ( -0.356 -3.546 1.622) 3.916 1.770 ( -0.356 3.546 1.622) 3.916 1.851 ( 0.892 -2.764 4.376) 5.252 1.851 ( 0.892 2.764 4.376) 5.252 1.907 ( 1.870 -5.700 0.895) 6.066 1.907 ( 1.870 5.700 0.895) 6.066 1.956 ( -1.029 -8.818 2.887) 9.335 1.956 ( -1.029 8.818 2.887) 9.335 2.112 ( -0.820 -1.640 -2.646) 3.220 2.112 ( -0.820 1.640 -2.646) 3.220 2.138 ( 0.542 -1.297 -2.469) 2.841 2.138 ( 0.542 1.297 -2.469) 2.841 2.283 ( 0.160 -3.360 0.734) 3.443 2.283 ( 0.160 3.360 0.734) 3.443 2.325 ( -0.742 -2.516 1.931) 3.257 2.325 ( -0.742 2.516 1.931) 3.257 2.419 ( -0.165 -2.518 -0.671) 2.611 2.419 ( -0.165 2.518 -0.671) 2.611 2.510 ( -1.188 -2.271 -2.341) 3.471 2.510 ( -1.188 2.271 -2.341) 3.471 2.592 ( 0.813 -1.713 0.462) 1.951 2.592 ( 0.813 1.713 0.462) 1.951 2.647 ( -0.088 -1.140 0.685) 1.333 2.647 ( -0.088 1.140 0.685) 1.333 2.724 ( 0.734 -2.551 -2.143) 3.412 2.724 ( 0.734 2.551 -2.143) 3.412 2.843 ( 1.285 -2.613 1.979) 3.520 2.843 ( 1.285 2.613 1.979) 3.520 2.955 ( -0.777 -2.115 1.464) 2.687 2.955 ( -0.777 2.115 1.464) 2.687 2.994 ( -0.085 -2.700 2.776) 3.874 2.994 ( -0.085 2.700 2.776) 3.874 3.186 ( -0.238 -3.176 1.433) 3.492 3.186 ( -0.238 3.176 1.433) 3.492 3.232 ( -0.962 -1.393 -4.892) 5.177 3.232 ( -0.962 1.393 -4.892) 5.177 3.433 ( 0.281 -1.822 2.395) 3.022 3.433 ( 0.281 1.822 2.395) 3.022 3.630 ( -0.786 -5.007 -3.722) 6.288 3.630 ( -0.786 5.007 -3.722) 6.288 3.720 ( -0.785 -2.904 -2.993) 4.243 3.720 ( -0.785 2.904 -2.993) 4.243 4.016 ( 2.723 -2.542 -2.454) 4.461 4.016 ( 2.723 2.542 -2.454) 4.461 4.293 ( -1.015 -4.238 5.987) 7.405 4.293 ( -1.015 4.238 5.987) 7.405 4.792 ( 0.056 -3.416 -1.885) 3.902 4.792 ( 0.056 3.416 -1.885) 3.902 5.475 ( 0.699 -6.509 2.809) 7.124 5.475 ( 0.699 6.509 2.809) 7.124 5.620 ( -0.711 -4.027 -2.557) 4.823 5.620 ( -0.711 4.027 -2.557) 4.823 7.017 ( 0.151 -2.512 0.872) 2.663 7.017 ( 0.151 2.512 0.872) 2.663 7.891 ( 0.107 -1.205 -2.931) 3.171 7.891 ( 0.107 1.205 -2.931) 3.171 8.888 ( 0.157 -1.963 5.284) 5.639 8.888 ( 0.157 1.963 5.284) 5.639 9.430 ( 0.257 -3.489 4.065) 5.363 9.430 ( 0.257 3.489 4.065) 5.363 10.141 ( -1.148 -2.324 2.624) 3.688 10.141 ( -1.148 2.324 2.624) 3.688 10.501 ( -2.130 -3.055 -11.856) 12.427 10.501 ( -2.130 3.055 -11.856) 12.427 10.755 ( 3.074 -5.329 -2.216) 6.538 10.755 ( 3.074 5.329 -2.216) 6.538 11.121 ( 1.338 -0.466 5.862) 6.031 11.121 ( 1.338 0.466 5.862) 6.031 11.591 ( 1.813 -4.780 4.087) 6.545 11.591 ( 1.813 4.780 4.087) 6.545 11.744 ( -4.183 -7.694 1.873) 8.955 11.744 ( -4.183 7.694 1.873) 8.955 12.263 ( -1.710 -5.865 -2.627) 6.650 12.263 ( -1.710 5.865 -2.627) 6.650 12.399 ( 1.504 -7.543 1.959) 7.937 12.399 ( 1.504 7.543 1.959) 7.937 12.662 ( 0.956 -2.754 -0.956) 3.068 12.662 ( 0.956 2.754 -0.956) 3.068 12.944 ( -0.659 -1.094 -3.126) 3.376 12.944 ( -0.659 1.094 -3.126) 3.376 13.143 ( 1.050 -6.109 2.359) 6.632 13.143 ( 1.050 6.109 2.359) 6.632 13.474 ( -0.210 -3.154 4.788) 5.737 13.474 ( -0.210 3.154 4.788) 5.737 13.812 ( -1.147 -6.931 -3.005) 7.640 13.812 ( -1.147 6.931 -3.005) 7.640 13.927 ( 1.076 -2.515 -3.760) 4.650 13.927 ( 1.076 2.515 -3.760) 4.650 14.188 ( 0.817 -1.548 -1.487) 2.297 14.188 ( 0.817 1.548 -1.487) 2.297 14.312 ( -0.533 -1.748 3.184) 3.671 14.312 ( -0.533 1.748 3.184) 3.671 14.642 ( -0.246 -9.926 1.030) 9.982 14.642 ( -0.246 9.926 1.030) 9.982 14.973 ( -0.128 -6.863 -3.728) 7.811 14.973 ( -0.128 6.863 -3.728) 7.811 15.387 ( -0.340 -4.997 2.726) 5.702 15.387 ( -0.340 4.997 2.726) 5.702 16.662 ( 0.215 -1.042 -3.014) 3.196 16.662 ( 0.215 1.042 -3.014) 3.196 ======================= Grid point 92 (49/76) ======================= q-point: ( 0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 3.368 -5.983 0.764) 6.909 0.582 ( 3.368 5.983 0.764) 6.909 0.610 ( 5.340 -3.446 -0.019) 6.355 0.610 ( 5.340 3.446 -0.019) 6.355 0.921 ( 2.587 -2.964 -1.315) 4.148 0.921 ( 2.587 2.964 -1.315) 4.148 1.097 ( 3.741 -3.133 0.712) 4.931 1.097 ( 3.741 3.133 0.712) 4.931 1.166 ( 1.916 -3.940 1.335) 4.581 1.166 ( 1.916 3.940 1.335) 4.581 1.228 ( 3.309 -1.403 -3.194) 4.808 1.228 ( 3.309 1.403 -3.194) 4.808 1.418 ( -3.087 -3.715 0.671) 4.877 1.418 ( -3.087 3.715 0.671) 4.877 1.489 ( 1.183 -0.725 0.295) 1.419 1.489 ( 1.183 0.725 0.295) 1.419 1.597 ( 3.410 -2.000 0.589) 3.996 1.597 ( 3.410 2.000 0.589) 3.996 1.642 ( 2.020 -0.153 -1.424) 2.476 1.642 ( 2.020 0.153 -1.424) 2.476 1.769 ( -1.064 -2.240 1.035) 2.687 1.769 ( -1.064 2.240 1.035) 2.687 1.896 ( 0.877 -4.086 1.112) 4.325 1.896 ( 0.877 4.086 1.112) 4.325 1.918 ( -0.942 -3.135 1.094) 3.452 1.918 ( -0.942 3.135 1.094) 3.452 1.989 ( 0.559 -5.143 1.284) 5.330 1.989 ( 0.559 5.143 1.284) 5.330 2.093 ( 0.575 -2.857 1.335) 3.205 2.093 ( 0.575 2.857 1.335) 3.205 2.132 ( 1.599 -2.089 -3.045) 4.024 2.132 ( 1.599 2.089 -3.045) 4.024 2.281 ( -1.124 -3.440 0.512) 3.655 2.281 ( -1.124 3.440 0.512) 3.655 2.316 ( -1.794 -1.583 1.656) 2.910 2.316 ( -1.794 1.583 1.656) 2.910 2.387 ( -1.856 -0.517 -2.038) 2.805 2.387 ( -1.856 0.517 -2.038) 2.805 2.466 ( -1.821 -1.570 0.457) 2.447 2.466 ( -1.821 1.570 0.457) 2.447 2.589 ( -2.110 -1.041 -0.223) 2.363 2.589 ( -2.110 1.041 -0.223) 2.363 2.647 ( -0.576 -2.993 -0.141) 3.051 2.647 ( -0.576 2.993 -0.141) 3.051 2.686 ( -1.705 -1.521 -0.866) 2.443 2.686 ( -1.705 1.521 -0.866) 2.443 2.821 ( -2.811 -0.942 -0.518) 3.009 2.821 ( -2.811 0.942 -0.518) 3.009 2.946 ( -0.859 -1.496 1.855) 2.533 2.946 ( -0.859 1.496 1.855) 2.533 3.090 ( -0.848 -6.153 2.044) 6.539 3.090 ( -0.848 6.153 2.044) 6.539 3.154 ( 4.718 -3.991 -1.521) 6.364 3.154 ( 4.718 3.991 -1.521) 6.364 3.257 ( 3.818 -0.724 -0.011) 3.886 3.257 ( 3.818 0.724 -0.011) 3.886 3.444 ( -1.457 -2.203 1.947) 3.282 3.444 ( -1.457 2.203 1.947) 3.282 3.585 ( 0.028 -5.031 -2.396) 5.572 3.585 ( 0.028 5.031 -2.396) 5.572 3.699 ( 0.536 -2.389 -1.897) 3.097 3.699 ( 0.536 2.389 -1.897) 3.097 4.056 ( 3.858 -1.715 -3.925) 5.765 4.056 ( 3.858 1.715 -3.925) 5.765 4.330 ( -0.385 -2.059 5.168) 5.577 4.330 ( -0.385 2.059 5.168) 5.577 4.771 ( -0.543 -4.435 -1.382) 4.677 4.771 ( -0.543 4.435 -1.382) 4.677 5.463 ( -4.898 -6.810 2.873) 8.867 5.463 ( -4.898 6.810 2.873) 8.867 5.545 ( -3.827 -3.301 -2.762) 5.760 5.545 ( -3.827 3.301 -2.762) 5.760 7.043 ( 1.574 -1.995 0.469) 2.584 7.043 ( 1.574 1.995 0.469) 2.584 7.887 ( 1.738 -1.347 -2.063) 3.016 7.887 ( 1.738 1.347 -2.063) 3.016 8.941 ( 0.596 -1.829 4.248) 4.664 8.941 ( 0.596 1.829 4.248) 4.664 9.427 ( -3.059 -2.535 2.527) 4.709 9.427 ( -3.059 2.535 2.527) 4.709 10.154 ( -1.901 -2.507 5.849) 6.641 10.154 ( -1.901 2.507 5.849) 6.641 10.361 ( -1.160 -3.193 -10.202) 10.752 10.361 ( -1.160 3.193 -10.202) 10.752 10.777 ( 1.089 -6.303 -3.409) 7.248 10.777 ( 1.089 6.303 -3.409) 7.248 11.201 ( 3.698 -1.676 2.151) 4.594 11.201 ( 3.698 1.676 2.151) 4.594 11.668 ( -5.045 -6.958 4.834) 9.861 11.668 ( -5.045 6.958 4.834) 9.861 11.724 ( 6.422 -5.465 3.310) 9.059 11.724 ( 6.422 5.465 3.310) 9.059 12.172 ( -3.293 -5.977 -4.469) 8.157 12.172 ( -3.293 5.977 -4.469) 8.157 12.468 ( 2.807 -5.714 2.436) 6.817 12.468 ( 2.807 5.714 2.436) 6.817 12.673 ( 1.334 -2.225 -2.108) 3.343 12.673 ( 1.334 2.225 -2.108) 3.343 12.918 ( 0.051 -2.590 -1.533) 3.010 12.918 ( 0.051 2.590 -1.533) 3.010 13.186 ( 1.447 -0.630 1.142) 1.948 13.186 ( 1.447 0.630 1.142) 1.948 13.504 ( -0.507 -2.608 3.458) 4.361 13.504 ( -0.507 2.608 3.458) 4.361 13.769 ( -1.650 -4.689 0.340) 4.982 13.769 ( -1.650 4.689 0.340) 4.982 13.900 ( -0.333 -1.000 -4.446) 4.569 13.900 ( -0.333 1.000 -4.446) 4.569 14.158 ( -1.504 -5.356 -1.579) 5.783 14.158 ( -1.504 5.356 -1.579) 5.783 14.352 ( 1.984 -3.459 1.546) 4.277 14.352 ( 1.984 3.459 1.546) 4.277 14.674 ( 1.954 -6.588 1.988) 7.154 14.674 ( 1.954 6.588 1.988) 7.154 14.941 ( 0.064 -4.361 -3.168) 5.391 14.941 ( 0.064 4.361 -3.168) 5.391 15.377 ( -2.801 -3.356 2.112) 4.855 15.377 ( -2.801 3.356 2.112) 4.855 16.585 ( -5.438 -0.803 -1.956) 5.835 16.585 ( -5.438 0.803 -1.956) 5.835 ======================= Grid point 94 (50/76) ======================= q-point: ( 0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 3.349 -4.179 1.834) 5.661 0.659 ( 3.349 4.179 1.834) 5.661 0.756 ( 6.899 -10.187 0.570) 12.317 0.756 ( 6.899 10.187 0.570) 12.317 0.979 ( 4.359 -0.452 0.327) 4.395 0.979 ( 4.359 0.452 0.327) 4.395 1.173 ( 1.414 -3.819 -0.391) 4.091 1.173 ( 1.414 3.819 -0.391) 4.091 1.211 ( 2.296 -2.742 1.155) 3.759 1.211 ( 2.296 2.742 1.155) 3.759 1.257 ( 4.896 -3.177 -3.803) 6.966 1.257 ( 4.896 3.177 -3.803) 6.966 1.389 ( -0.611 -3.520 1.690) 3.952 1.389 ( -0.611 3.520 1.690) 3.952 1.530 ( 2.427 -0.977 -0.384) 2.644 1.530 ( 2.427 0.977 -0.384) 2.644 1.665 ( 2.378 -0.247 0.367) 2.419 1.665 ( 2.378 0.247 0.367) 2.419 1.709 ( 5.024 -2.392 1.541) 5.774 1.709 ( 5.024 2.392 1.541) 5.774 1.751 ( -0.600 -0.758 0.010) 0.967 1.751 ( -0.600 0.758 0.010) 0.967 1.861 ( -1.906 -2.481 -2.575) 4.052 1.861 ( -1.906 2.481 -2.575) 4.052 1.946 ( 1.881 -0.647 0.611) 2.081 1.946 ( 1.881 0.647 0.611) 2.081 1.995 ( -0.097 -1.976 0.416) 2.022 1.995 ( -0.097 1.976 0.416) 2.022 2.123 ( -0.081 -3.397 1.884) 3.885 2.123 ( -0.081 3.397 1.884) 3.885 2.151 ( 1.779 -0.932 -1.271) 2.377 2.151 ( 1.779 0.932 -1.271) 2.377 2.241 ( -3.216 -1.909 0.549) 3.780 2.241 ( -3.216 1.909 0.549) 3.780 2.290 ( -1.859 -1.905 -0.010) 2.662 2.290 ( -1.859 1.905 -0.010) 2.662 2.335 ( -1.468 -4.296 -1.812) 4.889 2.335 ( -1.468 4.296 -1.812) 4.889 2.444 ( -2.113 -0.376 1.328) 2.523 2.444 ( -2.113 0.376 1.328) 2.523 2.513 ( -3.421 -3.120 -0.723) 4.687 2.513 ( -3.421 3.120 -0.723) 4.687 2.610 ( -2.401 -2.201 0.431) 3.285 2.610 ( -2.401 2.201 0.431) 3.285 2.693 ( 1.259 -1.773 -1.392) 2.582 2.693 ( 1.259 1.773 -1.392) 2.582 2.763 ( -2.718 -1.920 0.949) 3.461 2.763 ( -2.718 1.920 0.949) 3.461 2.950 ( 0.426 -3.899 -0.338) 3.937 2.950 ( 0.426 3.899 -0.338) 3.937 3.034 ( -2.220 -4.794 0.268) 5.289 3.034 ( -2.220 4.794 0.268) 5.289 3.225 ( 1.434 -0.806 -2.028) 2.612 3.225 ( 1.434 0.806 -2.028) 2.612 3.377 ( 1.164 -1.322 0.956) 2.004 3.377 ( 1.164 1.322 0.956) 2.004 3.430 ( 3.248 -7.324 4.540) 9.209 3.430 ( 3.248 7.324 4.540) 9.209 3.615 ( 4.474 -3.876 -1.143) 6.029 3.615 ( 4.474 3.876 -1.143) 6.029 3.699 ( 0.284 -3.325 -0.001) 3.338 3.699 ( 0.284 3.325 -0.001) 3.338 4.081 ( 2.310 -0.852 -4.289) 4.946 4.081 ( 2.310 0.852 -4.289) 4.946 4.365 ( 0.556 -3.207 2.718) 4.241 4.365 ( 0.556 3.207 2.718) 4.241 4.747 ( -1.336 -6.961 -0.599) 7.113 4.747 ( -1.336 6.961 -0.599) 7.113 5.335 ( -8.573 -3.218 -0.623) 9.179 5.335 ( -8.573 3.218 -0.623) 9.179 5.466 ( -3.637 -1.599 0.631) 4.023 5.466 ( -3.637 1.599 0.631) 4.023 7.072 ( 1.216 -1.724 -0.196) 2.119 7.072 ( 1.216 1.724 -0.196) 2.119 7.914 ( 1.942 -1.428 -0.383) 2.440 7.914 ( 1.942 1.428 -0.383) 2.440 8.961 ( -0.732 -0.146 0.090) 0.752 8.961 ( -0.732 0.146 0.090) 0.752 9.382 ( -3.284 -0.819 1.737) 3.804 9.382 ( -3.284 0.819 1.737) 3.804 10.151 ( -2.444 -3.017 4.114) 5.657 10.151 ( -2.444 3.017 4.114) 5.657 10.305 ( 0.796 -2.952 -3.602) 4.725 10.305 ( 0.796 2.952 -3.602) 4.725 10.754 ( 0.445 -6.725 -3.657) 7.668 10.754 ( 0.445 6.725 -3.657) 7.668 11.269 ( 1.547 -2.000 -0.036) 2.528 11.269 ( 1.547 2.000 -0.036) 2.528 11.617 ( -1.717 -7.746 -0.245) 7.938 11.617 ( -1.717 7.746 -0.245) 7.938 11.884 ( 3.434 -8.122 8.276) 12.094 11.884 ( 3.434 8.122 8.276) 12.094 12.105 ( 2.005 -5.340 -5.245) 7.749 12.105 ( 2.005 5.340 -5.245) 7.749 12.540 ( 2.734 -1.253 2.092) 3.663 12.540 ( 2.734 1.253 2.092) 3.663 12.682 ( 2.412 -2.828 -2.948) 4.744 12.682 ( 2.412 2.828 -2.948) 4.744 12.920 ( 0.242 -5.518 1.317) 5.678 12.920 ( 0.242 5.518 1.317) 5.678 13.206 ( 1.104 -3.375 -2.146) 4.149 13.206 ( 1.104 3.375 -2.146) 4.149 13.505 ( -2.850 -0.651 3.233) 4.359 13.505 ( -2.850 0.651 3.233) 4.359 13.721 ( -4.957 -3.327 -1.190) 6.087 13.721 ( -4.957 3.327 -1.190) 6.087 13.869 ( 1.164 -6.199 -0.452) 6.323 13.869 ( 1.164 6.199 -0.452) 6.323 14.140 ( 1.102 -7.849 -0.965) 7.985 14.140 ( 1.102 7.849 -0.965) 7.985 14.406 ( 3.154 -6.184 -0.124) 6.943 14.406 ( 3.154 6.184 -0.124) 6.943 14.726 ( 1.738 -3.395 0.674) 3.873 14.726 ( 1.738 3.395 0.674) 3.873 14.923 ( -0.627 -6.192 -0.068) 6.224 14.923 ( -0.627 6.192 -0.068) 6.224 15.322 ( -3.949 -1.024 0.536) 4.115 15.322 ( -3.949 1.024 0.536) 4.115 16.446 ( -7.457 -2.588 -0.511) 7.910 16.446 ( -7.457 2.588 -0.511) 7.910 ======================= Grid point 96 (51/76) ======================= q-point: ( 0.33 -0.50 -0.75) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.412 -4.922 -0.484) 4.963 0.702 ( 0.412 4.922 -0.484) 4.963 0.850 ( 2.635 -8.277 1.287) 8.781 0.850 ( 2.635 8.277 1.287) 8.781 1.082 ( 3.729 -0.464 0.882) 3.860 1.082 ( 3.729 0.464 0.882) 3.860 1.158 ( 0.071 -2.739 -1.601) 3.173 1.158 ( 0.071 2.739 -1.601) 3.173 1.246 ( 3.999 -5.786 -2.030) 7.320 1.246 ( 3.999 5.786 -2.030) 7.320 1.383 ( 5.649 -2.001 0.768) 6.043 1.383 ( 5.649 2.001 0.768) 6.043 1.419 ( 1.760 -3.912 3.794) 5.727 1.419 ( 1.760 3.912 3.794) 5.727 1.560 ( 1.750 -1.787 -1.057) 2.716 1.560 ( 1.750 1.787 -1.057) 2.716 1.695 ( 0.009 -0.698 -0.453) 0.833 1.695 ( 0.009 0.698 -0.453) 0.833 1.720 ( -2.158 -0.753 0.812) 2.426 1.720 ( -2.158 0.753 0.812) 2.426 1.783 ( -0.666 -4.007 0.113) 4.064 1.783 ( -0.666 4.007 0.113) 4.064 1.870 ( 5.911 -1.715 -1.736) 6.395 1.870 ( 5.911 1.715 -1.736) 6.395 1.984 ( 1.575 -2.376 0.054) 2.851 1.984 ( 1.575 2.376 0.054) 2.851 2.000 ( 0.266 -1.171 0.130) 1.208 2.000 ( 0.266 1.171 0.130) 1.208 2.105 ( -2.610 -3.287 1.011) 4.317 2.105 ( -2.610 3.287 1.011) 4.317 2.157 ( -0.461 -2.099 -0.693) 2.258 2.157 ( -0.461 2.099 -0.693) 2.258 2.204 ( 0.020 -0.374 -1.214) 1.271 2.204 ( 0.020 0.374 -1.214) 1.271 2.238 ( -1.747 -0.280 -2.176) 2.804 2.238 ( -1.747 0.280 -2.176) 2.804 2.308 ( -0.214 -4.702 -1.162) 4.849 2.308 ( -0.214 4.702 -1.162) 4.849 2.402 ( -2.059 -2.109 0.307) 2.963 2.402 ( -2.059 2.109 0.307) 2.963 2.481 ( -1.828 -0.671 2.500) 3.169 2.481 ( -1.828 0.671 2.500) 3.169 2.555 ( -3.807 -1.763 0.721) 4.257 2.555 ( -3.807 1.763 0.721) 4.257 2.689 ( -0.068 -0.594 0.025) 0.599 2.689 ( -0.068 0.594 0.025) 0.599 2.765 ( 1.292 -0.840 0.715) 1.699 2.765 ( 1.292 0.840 0.715) 1.699 2.939 ( -0.221 -6.389 -2.433) 6.840 2.939 ( -0.221 6.389 -2.433) 6.840 3.034 ( 0.777 -3.783 1.783) 4.254 3.034 ( 0.777 3.783 1.783) 4.254 3.215 ( -0.145 -2.230 -2.062) 3.041 3.215 ( -0.145 2.230 -2.062) 3.041 3.327 ( -3.081 -1.429 0.139) 3.399 3.327 ( -3.081 1.429 0.139) 3.399 3.558 ( 1.569 -5.649 5.699) 8.176 3.558 ( 1.569 5.649 5.699) 8.176 3.689 ( 1.562 -1.743 -1.088) 2.581 3.689 ( 1.562 1.743 -1.088) 2.581 3.762 ( 8.499 -3.357 0.473) 9.150 3.762 ( 8.499 3.357 0.473) 9.150 4.076 ( 0.950 -1.447 -3.043) 3.501 4.076 ( 0.950 1.447 -3.043) 3.501 4.385 ( -1.187 -3.963 1.055) 4.269 4.385 ( -1.187 3.963 1.055) 4.269 4.710 ( -0.812 -10.177 -1.331) 10.296 4.710 ( -0.812 10.177 -1.331) 10.296 5.168 ( -8.140 -2.218 -0.144) 8.438 5.168 ( -8.140 2.218 -0.144) 8.438 5.415 ( -2.295 -1.978 0.831) 3.142 5.415 ( -2.295 1.978 0.831) 3.142 7.085 ( 0.460 -1.516 -0.279) 1.608 7.085 ( 0.460 1.516 -0.279) 1.608 7.946 ( 1.095 -1.036 0.762) 1.689 7.946 ( 1.095 1.036 0.762) 1.689 8.928 ( -1.318 -1.594 -1.648) 2.644 8.928 ( -1.318 1.594 -1.648) 2.644 9.330 ( -2.370 -0.635 -1.793) 3.039 9.330 ( -2.370 0.635 -1.793) 3.039 10.149 ( -1.706 -1.098 3.394) 3.954 10.149 ( -1.706 1.098 3.394) 3.954 10.303 ( 1.096 -5.340 -0.570) 5.481 10.303 ( 1.096 5.340 -0.570) 5.481 10.750 ( 0.823 -6.439 0.288) 6.497 10.750 ( 0.823 6.439 0.288) 6.497 11.259 ( -0.295 -1.106 -3.382) 3.570 11.259 ( -0.295 1.106 -3.382) 3.570 11.574 ( -1.536 -5.579 -4.139) 7.114 11.574 ( -1.536 5.579 -4.139) 7.114 11.977 ( -0.285 -6.320 8.786) 10.826 11.977 ( -0.285 6.320 8.786) 10.826 12.179 ( 6.956 -1.778 -0.442) 7.194 12.179 ( 6.956 1.778 -0.442) 7.194 12.595 ( 1.567 -2.947 0.285) 3.350 12.595 ( 1.567 2.947 0.285) 3.350 12.740 ( 6.875 -5.813 -3.547) 9.677 12.740 ( 6.875 5.813 -3.547) 9.677 12.950 ( 0.393 -4.108 4.168) 5.866 12.950 ( 0.393 4.108 4.168) 5.866 13.197 ( 0.437 -3.311 -2.890) 4.417 13.197 ( 0.437 3.311 -2.890) 4.417 13.445 ( -5.248 -1.775 1.204) 5.670 13.445 ( -5.248 1.775 1.204) 5.670 13.565 ( -8.334 -2.308 -2.670) 9.051 13.565 ( -8.334 2.308 -2.670) 9.051 13.932 ( 3.555 -5.932 1.624) 7.104 13.932 ( 3.555 5.932 1.624) 7.104 14.176 ( 2.524 -5.741 0.503) 6.292 14.176 ( 2.524 5.741 0.503) 6.292 14.468 ( 3.705 -7.183 -0.915) 8.134 14.468 ( 3.705 7.183 -0.915) 8.134 14.749 ( 0.812 -6.361 -0.270) 6.419 14.749 ( 0.812 6.361 -0.270) 6.419 14.904 ( -2.362 -6.839 1.405) 7.370 14.904 ( -2.362 6.839 1.405) 7.370 15.250 ( -3.216 -3.581 -0.406) 4.830 15.250 ( -3.216 3.581 -0.406) 4.830 16.311 ( -6.104 -3.452 -0.069) 7.013 16.311 ( -6.104 3.452 -0.069) 7.013 ======================= Grid point 98 (52/76) ======================= q-point: ( 0.44 -0.50 -0.75) 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -0.311 -4.176 -1.550) 4.465 0.688 ( -0.311 4.176 -1.550) 4.465 0.892 ( 0.219 -4.475 2.845) 5.307 0.892 ( 0.219 4.475 2.845) 5.307 1.095 ( -0.084 -1.128 -1.029) 1.529 1.095 ( -0.084 1.128 -1.029) 1.529 1.181 ( 1.130 -1.281 0.646) 1.826 1.181 ( 1.130 1.281 0.646) 1.826 1.330 ( 4.939 -4.804 -2.687) 7.396 1.330 ( 4.939 4.804 -2.687) 7.396 1.403 ( -0.835 -0.918 -0.613) 1.384 1.403 ( -0.835 0.918 -0.613) 1.384 1.508 ( -0.029 -4.542 1.900) 4.924 1.508 ( -0.029 4.542 1.900) 4.924 1.589 ( 0.991 -0.802 1.149) 1.716 1.589 ( 0.991 0.802 1.149) 1.716 1.648 ( 0.702 -0.364 -1.550) 1.740 1.648 ( 0.702 0.364 -1.550) 1.740 1.719 ( -0.424 -2.526 2.240) 3.403 1.719 ( -0.424 2.526 2.240) 3.403 1.789 ( -0.090 -4.706 2.166) 5.181 1.789 ( -0.090 4.706 2.166) 5.181 1.913 ( 0.166 -1.219 -2.135) 2.464 1.913 ( 0.166 1.219 -2.135) 2.464 1.982 ( -0.404 -0.750 -1.102) 1.393 1.982 ( -0.404 0.750 -1.102) 1.393 2.018 ( 1.348 -0.872 -1.619) 2.280 2.018 ( 1.348 0.872 -1.619) 2.280 2.066 ( -2.069 -2.183 -1.331) 3.289 2.066 ( -2.069 2.183 -1.331) 3.289 2.155 ( 1.772 -0.268 -0.257) 1.811 2.155 ( 1.772 0.268 -0.257) 1.811 2.190 ( -1.156 -1.498 -0.423) 1.939 2.190 ( -1.156 1.498 -0.423) 1.939 2.226 ( 2.373 -2.198 -1.828) 3.715 2.226 ( 2.373 2.198 -1.828) 3.715 2.299 ( 0.085 -2.863 -1.045) 3.049 2.299 ( 0.085 2.863 -1.045) 3.049 2.384 ( -0.865 -0.844 2.015) 2.349 2.384 ( -0.865 0.844 2.015) 2.349 2.472 ( -1.173 -0.277 2.804) 3.052 2.472 ( -1.173 0.277 2.804) 3.052 2.513 ( -1.438 -1.304 2.187) 2.924 2.513 ( -1.438 1.304 2.187) 2.924 2.665 ( -2.089 -0.868 -1.773) 2.874 2.665 ( -2.089 0.868 -1.773) 2.874 2.801 ( 1.468 -0.897 -0.079) 1.723 2.801 ( 1.468 0.897 -0.079) 1.723 2.920 ( 0.358 -6.048 -1.255) 6.188 2.920 ( 0.358 6.048 -1.255) 6.188 3.067 ( 1.007 -1.746 0.781) 2.162 3.067 ( 1.007 1.746 0.781) 2.162 3.194 ( -0.394 -3.198 -0.804) 3.321 3.194 ( -0.394 3.198 -0.804) 3.321 3.285 ( -1.024 -1.455 -0.719) 1.919 3.285 ( -1.024 1.455 -0.719) 1.919 3.607 ( -1.230 -5.459 6.079) 8.263 3.607 ( -1.230 5.459 6.079) 8.263 3.700 ( 0.281 -0.968 0.659) 1.204 3.700 ( 0.281 0.968 0.659) 1.204 3.908 ( 4.907 -6.831 -2.095) 8.667 3.908 ( 4.907 6.831 -2.095) 8.667 4.099 ( 4.776 -4.960 -1.267) 7.002 4.099 ( 4.776 4.960 -1.267) 7.002 4.297 ( -7.012 -4.314 -1.919) 8.454 4.297 ( -7.012 4.314 -1.919) 8.454 4.740 ( 3.662 -7.457 1.193) 8.392 4.740 ( 3.662 7.457 1.193) 8.392 5.032 ( -5.426 -2.470 -0.501) 5.983 5.032 ( -5.426 2.470 -0.501) 5.983 5.394 ( -0.656 -1.215 0.657) 1.529 5.394 ( -0.656 1.215 0.657) 1.529 7.090 ( 0.223 -0.677 0.037) 0.714 7.090 ( 0.223 0.677 0.037) 0.714 7.965 ( 0.169 -0.183 1.078) 1.107 7.965 ( 0.169 0.183 1.078) 1.107 8.904 ( -0.034 -1.980 -0.574) 2.062 8.904 ( -0.034 1.980 -0.574) 2.062 9.262 ( -1.471 -0.262 -5.146) 5.359 9.262 ( -1.471 0.262 -5.146) 5.359 10.125 ( -2.171 -0.796 0.246) 2.326 10.125 ( -2.171 0.796 0.246) 2.326 10.348 ( 2.196 -4.397 3.010) 5.764 10.348 ( 2.196 4.397 3.010) 5.764 10.785 ( 0.778 -5.842 3.939) 7.089 10.785 ( 0.778 5.842 3.939) 7.089 11.219 ( 0.168 -1.505 -5.346) 5.556 11.219 ( 0.168 1.505 -5.346) 5.556 11.491 ( -1.722 -3.576 -6.804) 7.877 11.491 ( -1.722 3.576 -6.804) 7.877 12.055 ( -0.021 -5.424 9.933) 11.318 12.055 ( -0.021 5.424 9.933) 11.318 12.299 ( 3.529 -1.305 2.917) 4.761 12.299 ( 3.529 1.305 2.917) 4.761 12.606 ( -0.194 -5.756 -0.827) 5.818 12.606 ( -0.194 5.756 -0.827) 5.818 12.842 ( 6.410 -4.633 -5.749) 9.778 12.842 ( 6.410 4.633 -5.749) 9.778 12.993 ( -0.543 -1.297 4.797) 4.999 12.993 ( -0.543 1.297 4.797) 4.999 13.176 ( -0.788 -2.117 -1.707) 2.831 13.176 ( -0.788 2.117 -1.707) 2.831 13.346 ( -3.706 -1.471 -1.467) 4.249 13.346 ( -3.706 1.471 -1.467) 4.249 13.423 ( -3.301 -3.855 -0.833) 5.143 13.423 ( -3.301 3.855 -0.833) 5.143 13.992 ( 1.184 -4.105 0.622) 4.317 13.992 ( 1.184 4.105 0.622) 4.317 14.221 ( 1.003 -3.369 0.965) 3.645 14.221 ( 1.003 3.369 0.965) 3.645 14.532 ( 3.135 -7.064 0.481) 7.743 14.532 ( 3.135 7.064 0.481) 7.743 14.764 ( 0.690 -5.500 0.204) 5.547 14.764 ( 0.690 5.500 0.204) 5.547 14.853 ( -3.073 -5.618 -0.233) 6.407 14.853 ( -3.073 5.618 -0.233) 6.407 15.206 ( -1.015 -3.757 -0.190) 3.896 15.206 ( -1.015 3.757 -0.190) 3.896 16.227 ( -2.352 -2.648 -0.217) 3.548 16.227 ( -2.352 2.648 -0.217) 3.548 ======================= Grid point 100 (53/76) ======================= q-point: (-0.44 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -0.402 -2.966 -1.268) 3.250 0.671 ( -0.402 2.966 -1.268) 3.250 0.914 ( -0.562 -2.465 2.660) 3.669 0.914 ( -0.562 2.465 2.660) 3.669 1.080 ( -0.980 -0.957 -1.033) 1.716 1.080 ( -0.980 0.957 -1.033) 1.716 1.191 ( -1.581 -3.600 0.544) 3.969 1.191 ( -1.581 3.600 0.544) 3.969 1.314 ( -1.304 -0.902 -1.569) 2.231 1.314 ( -1.304 0.902 -1.569) 2.231 1.390 ( -3.236 -3.125 -0.775) 4.565 1.390 ( -3.236 3.125 -0.775) 4.565 1.476 ( 0.854 -2.768 -0.283) 2.911 1.476 ( 0.854 2.768 -0.283) 2.911 1.611 ( -1.153 -0.443 1.190) 1.715 1.611 ( -1.153 0.443 1.190) 1.715 1.677 ( -0.047 -2.066 0.514) 2.129 1.677 ( -0.047 2.066 0.514) 2.129 1.740 ( 0.570 -5.309 2.253) 5.795 1.740 ( 0.570 5.309 2.253) 5.795 1.805 ( 0.172 -2.414 2.209) 3.277 1.805 ( 0.172 2.414 2.209) 3.277 1.897 ( 0.408 -1.230 -1.414) 1.918 1.897 ( 0.408 1.230 -1.414) 1.918 1.949 ( -2.793 -2.551 -3.523) 5.169 1.949 ( -2.793 2.551 -3.523) 5.169 1.993 ( 1.075 -0.788 -2.220) 2.590 1.993 ( 1.075 0.788 -2.220) 2.590 2.060 ( 0.733 -1.312 1.228) 1.941 2.060 ( 0.733 1.312 1.228) 1.941 2.154 ( -1.700 -2.948 -0.633) 3.461 2.154 ( -1.700 2.948 -0.633) 3.461 2.187 ( 1.826 -1.154 -1.876) 2.861 2.187 ( 1.826 1.154 -1.876) 2.861 2.248 ( 0.306 -1.567 -0.931) 1.848 2.248 ( 0.306 1.567 -0.931) 1.848 2.302 ( 1.337 -1.708 -1.357) 2.559 2.302 ( 1.337 1.708 -1.357) 2.559 2.398 ( 0.037 -1.874 2.265) 2.940 2.398 ( 0.037 1.874 2.265) 2.940 2.485 ( -0.436 -0.517 3.937) 3.995 2.485 ( -0.436 0.517 3.937) 3.995 2.534 ( 0.693 -2.346 1.671) 2.962 2.534 ( 0.693 2.346 1.671) 2.962 2.617 ( 1.218 -0.517 -2.515) 2.842 2.617 ( 1.218 0.517 -2.515) 2.842 2.798 ( -1.529 -0.637 -0.356) 1.694 2.798 ( -1.529 0.637 -0.356) 1.694 2.933 ( 1.572 -3.247 -0.985) 3.739 2.933 ( 1.572 3.247 -0.985) 3.739 3.069 ( -1.557 -2.635 0.972) 3.211 3.069 ( -1.557 2.635 0.972) 3.211 3.201 ( 1.752 -1.591 -0.911) 2.536 3.201 ( 1.752 1.591 -0.911) 2.536 3.278 ( 1.182 -1.061 -0.976) 1.864 3.278 ( 1.182 1.061 -0.976) 1.864 3.614 ( -3.810 -6.242 6.248) 9.619 3.614 ( -3.810 6.242 6.248) 9.619 3.713 ( -0.315 -1.469 1.257) 1.959 3.713 ( -0.315 1.469 1.257) 1.959 3.885 ( -4.009 -5.453 -2.499) 7.215 3.885 ( -4.009 5.453 -2.499) 7.215 4.150 ( -3.020 -10.148 -3.091) 11.030 4.150 ( -3.020 10.148 -3.091) 11.030 4.238 ( 7.378 -5.824 -0.044) 9.399 4.238 ( 7.378 5.824 -0.044) 9.399 4.769 ( -3.696 -5.981 0.912) 7.090 4.769 ( -3.696 5.981 0.912) 7.090 5.019 ( 5.926 -7.013 -0.511) 9.195 5.019 ( 5.926 7.013 -0.511) 9.195 5.398 ( 0.517 -0.240 0.654) 0.868 5.398 ( 0.517 0.240 0.654) 0.868 7.093 ( 0.020 -1.341 0.033) 1.342 7.093 ( 0.020 1.341 0.033) 1.342 7.974 ( -0.224 -0.546 1.132) 1.277 7.974 ( -0.224 0.546 1.132) 1.277 8.908 ( 0.270 -1.893 -0.229) 1.925 8.908 ( 0.270 1.893 -0.229) 1.925 9.199 ( 0.212 -1.537 -5.354) 5.575 9.199 ( 0.212 1.537 -5.354) 5.575 10.093 ( -1.129 -0.454 0.356) 1.268 10.093 ( -1.129 0.454 0.356) 1.268 10.419 ( 2.294 -1.631 3.016) 4.125 10.419 ( 2.294 1.631 3.016) 4.125 10.839 ( 0.424 -6.040 5.386) 8.104 10.839 ( 0.424 6.040 5.386) 8.104 11.172 ( 0.610 -2.477 -7.695) 8.107 11.172 ( 0.610 2.477 -7.695) 8.107 11.412 ( -0.926 -2.322 -4.671) 5.298 11.412 ( -0.926 2.322 -4.671) 5.298 12.137 ( -0.533 -6.165 9.460) 11.304 12.137 ( -0.533 6.165 9.460) 11.304 12.340 ( -2.033 -2.561 2.312) 4.004 12.340 ( -2.033 2.561 2.312) 4.004 12.562 ( -3.677 -4.437 -0.835) 5.823 12.562 ( -3.677 4.437 -0.835) 5.823 12.843 ( -0.744 -2.263 -5.768) 6.241 12.843 ( -0.744 2.263 -5.768) 6.241 12.998 ( -2.522 -3.415 4.166) 5.948 12.998 ( -2.522 3.415 4.166) 5.948 13.153 ( 1.370 -5.163 -2.082) 5.733 13.153 ( 1.370 5.163 -2.082) 5.733 13.322 ( 0.707 -4.891 -0.328) 4.953 13.322 ( 0.707 4.891 -0.328) 4.953 13.448 ( 6.468 -6.842 -1.343) 9.511 13.448 ( 6.468 6.842 -1.343) 9.511 13.983 ( -2.299 -3.443 0.546) 4.176 13.983 ( -2.299 3.443 0.546) 4.176 14.232 ( -0.411 -4.882 0.946) 4.990 14.232 ( -0.411 4.882 0.946) 4.990 14.560 ( -2.245 -3.933 0.714) 4.584 14.560 ( -2.245 3.933 0.714) 4.584 14.756 ( -0.939 -2.564 -0.354) 2.753 14.756 ( -0.939 2.564 -0.354) 2.753 14.840 ( 2.465 -3.255 0.185) 4.087 14.840 ( 2.465 3.255 0.185) 4.087 15.207 ( 1.068 -1.329 -0.243) 1.722 15.207 ( 1.068 1.329 -0.243) 1.722 16.226 ( 2.522 -0.878 -0.215) 2.679 16.226 ( 2.522 0.878 -0.215) 2.679 ======================= Grid point 102 (54/76) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -1.777 -5.103 -0.400) 5.419 0.643 ( -1.777 5.103 -0.400) 5.419 0.905 ( -2.802 -2.033 1.378) 3.726 0.905 ( -2.802 2.033 1.378) 3.726 1.036 ( -3.425 -4.354 1.043) 5.637 1.036 ( -3.425 4.354 1.043) 5.637 1.126 ( -2.641 -6.939 -2.378) 7.796 1.126 ( -2.641 6.939 -2.378) 7.796 1.273 ( -3.784 -5.839 -0.540) 6.979 1.273 ( -3.784 5.839 -0.540) 6.979 1.350 ( 0.655 -1.035 0.227) 1.246 1.350 ( 0.655 1.035 0.227) 1.246 1.505 ( 0.293 -1.626 2.894) 3.333 1.505 ( 0.293 1.626 2.894) 3.333 1.558 ( -5.037 -0.821 1.423) 5.298 1.558 ( -5.037 0.821 1.423) 5.298 1.660 ( -0.951 -1.270 -1.200) 1.990 1.660 ( -0.951 1.270 -1.200) 1.990 1.748 ( -1.702 -1.054 -0.256) 2.018 1.748 ( -1.702 1.054 -0.256) 2.018 1.793 ( -2.870 -3.520 -0.801) 4.612 1.793 ( -2.870 3.520 -0.801) 4.612 1.856 ( -0.461 -3.063 -1.800) 3.582 1.856 ( -0.461 3.063 -1.800) 3.582 1.939 ( -0.021 -2.576 0.285) 2.592 1.939 ( -0.021 2.576 0.285) 2.592 2.001 ( 1.089 -1.692 1.426) 2.466 2.001 ( 1.089 1.692 1.426) 2.466 2.069 ( -1.588 -4.212 -1.868) 4.873 2.069 ( -1.588 4.212 -1.868) 4.873 2.120 ( 0.800 -2.769 1.209) 3.126 2.120 ( 0.800 2.769 1.209) 3.126 2.209 ( 2.528 -0.539 -2.013) 3.276 2.209 ( 2.528 0.539 -2.013) 3.276 2.261 ( 1.394 -1.023 -0.337) 1.761 2.261 ( 1.394 1.023 -0.337) 1.761 2.316 ( 2.020 -1.358 -1.479) 2.849 2.316 ( 2.020 1.358 -1.479) 2.849 2.402 ( -0.830 -2.271 0.290) 2.435 2.402 ( -0.830 2.271 0.290) 2.435 2.523 ( 1.048 -0.736 1.299) 1.825 2.523 ( 1.048 0.736 1.299) 1.825 2.563 ( 3.178 -1.493 1.066) 3.670 2.563 ( 3.178 1.493 1.066) 3.670 2.671 ( 2.443 -0.716 0.596) 2.614 2.671 ( 2.443 0.716 0.596) 2.614 2.759 ( -1.593 -1.470 0.612) 2.252 2.759 ( -1.593 1.470 0.612) 2.252 2.943 ( 0.688 -1.224 -2.630) 2.982 2.943 ( 0.688 1.224 -2.630) 2.982 3.050 ( -1.031 -4.190 1.879) 4.706 3.050 ( -1.031 4.190 1.879) 4.706 3.217 ( 1.053 -1.266 -2.375) 2.890 3.217 ( 1.053 1.266 -2.375) 2.890 3.315 ( 2.624 -2.770 0.224) 3.822 3.315 ( 2.624 2.771 0.224) 3.822 3.553 ( -8.459 -5.999 5.694) 11.830 3.553 ( -8.459 5.999 5.694) 11.830 3.694 ( -1.587 -2.598 0.046) 3.045 3.694 ( -1.587 2.598 0.046) 3.045 3.796 ( -2.693 -7.520 -0.201) 7.990 3.796 ( -2.693 7.520 -0.201) 7.990 4.097 ( 0.558 -6.387 -4.973) 8.114 4.097 ( 0.558 6.387 -4.973) 8.114 4.357 ( 1.440 -3.106 3.466) 4.872 4.357 ( 1.440 3.106 3.466) 4.872 4.694 ( -0.887 -10.675 -2.251) 10.946 4.694 ( -0.887 10.675 -2.251) 10.946 5.168 ( 8.002 -9.781 0.097) 12.638 5.168 ( 8.002 9.781 0.097) 12.638 5.432 ( 2.724 -1.941 0.727) 3.423 5.432 ( 2.724 1.941 0.727) 3.423 7.087 ( -0.728 -2.749 -0.281) 2.858 7.087 ( -0.728 2.749 -0.281) 2.858 7.976 ( -0.465 -0.900 0.798) 1.289 7.976 ( -0.465 0.900 0.798) 1.289 8.892 ( -1.241 -1.902 -1.153) 2.547 8.892 ( -1.241 1.902 -1.153) 2.547 9.196 ( 2.898 -4.354 -2.192) 5.671 9.196 ( 2.898 4.354 -2.192) 5.671 10.094 ( 0.190 -0.393 2.111) 2.156 10.094 ( 0.190 0.393 2.111) 2.156 10.483 ( 2.755 -1.986 0.683) 3.464 10.483 ( 2.755 1.986 0.683) 3.464 10.880 ( -0.691 -5.536 3.846) 6.776 10.880 ( -0.691 5.536 3.846) 6.776 11.105 ( -0.195 -3.696 -8.781) 9.529 11.105 ( -0.195 3.696 -8.781) 9.529 11.393 ( 1.169 -2.114 0.639) 2.499 11.393 ( 1.169 2.114 0.639) 2.499 12.173 ( -5.399 -8.406 7.764) 12.653 12.173 ( -5.399 8.406 7.764) 12.653 12.258 ( -4.794 -2.781 -1.857) 5.845 12.258 ( -4.794 2.781 -1.857) 5.845 12.486 ( -3.132 -2.027 0.002) 3.731 12.486 ( -3.132 2.027 0.002) 3.731 12.762 ( -2.167 -2.405 -4.002) 5.147 12.762 ( -2.167 2.405 -4.002) 5.147 13.004 ( -1.066 -4.468 4.843) 6.675 13.004 ( -1.066 4.468 4.843) 6.675 13.161 ( 0.282 -3.480 -2.090) 4.069 13.161 ( 0.282 3.480 -2.090) 4.069 13.354 ( 3.535 -2.214 -1.853) 4.564 13.354 ( 3.535 2.214 -1.853) 4.564 13.588 ( 8.038 -8.104 -0.554) 11.427 13.588 ( 8.038 8.104 -0.554) 11.427 13.941 ( -2.126 -5.137 1.117) 5.670 13.941 ( -2.126 5.137 1.117) 5.670 14.226 ( -1.166 -6.742 0.871) 6.897 14.226 ( -1.166 6.742 0.871) 6.897 14.467 ( -5.643 -0.497 -1.508) 5.863 14.467 ( -5.643 0.497 -1.508) 5.863 14.737 ( -1.505 -7.651 0.417) 7.808 14.737 ( -1.505 7.651 0.417) 7.808 14.919 ( 4.292 -6.309 1.057) 7.703 14.919 ( 4.292 6.309 1.057) 7.703 15.235 ( 2.150 -7.077 -0.422) 7.408 15.235 ( 2.150 7.077 -0.422) 7.408 16.317 ( 6.915 -2.247 -0.067) 7.271 16.317 ( 6.915 2.247 -0.067) 7.271 ======================= Grid point 104 (55/76) ======================= q-point: (-0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -2.838 -4.631 0.923) 5.510 0.602 ( -2.838 4.631 0.923) 5.510 0.830 ( -5.937 -5.934 3.134) 8.960 0.830 ( -5.937 5.934 3.134) 8.960 0.969 ( -3.154 -8.294 -2.264) 9.158 0.969 ( -3.154 8.294 -2.264) 9.158 1.087 ( -0.879 -3.072 0.264) 3.206 1.087 ( -0.879 3.072 0.264) 3.206 1.200 ( -3.294 -8.284 -0.550) 8.932 1.200 ( -3.294 8.284 -0.550) 8.932 1.338 ( -3.003 -0.788 -1.650) 3.516 1.338 ( -3.003 0.788 -1.650) 3.516 1.458 ( -3.954 -1.846 1.363) 4.572 1.458 ( -3.954 1.846 1.363) 4.572 1.534 ( -0.690 -1.202 0.649) 1.530 1.534 ( -0.690 1.202 0.649) 1.530 1.632 ( -1.402 -1.645 1.380) 2.565 1.632 ( -1.402 1.645 1.380) 2.565 1.678 ( -3.092 -2.239 0.257) 3.826 1.678 ( -3.092 2.239 0.257) 3.826 1.762 ( -0.874 -2.371 -1.133) 2.769 1.762 ( -0.874 2.371 -1.133) 2.769 1.836 ( -0.397 -1.515 -2.776) 3.187 1.836 ( -0.397 1.515 -2.776) 3.187 1.890 ( -2.951 -3.017 1.075) 4.355 1.890 ( -2.951 3.017 1.075) 4.355 2.014 ( -2.283 -7.925 -0.313) 8.253 2.014 ( -2.283 7.925 -0.313) 8.253 2.074 ( 3.032 -2.448 2.005) 4.382 2.074 ( 3.032 2.448 2.005) 4.382 2.153 ( 0.978 -2.269 -0.238) 2.482 2.153 ( 0.978 2.269 -0.238) 2.482 2.253 ( 1.494 -1.916 -0.226) 2.440 2.253 ( 1.494 1.916 -0.226) 2.440 2.284 ( 1.987 -1.790 0.311) 2.692 2.284 ( 1.987 1.790 0.311) 2.692 2.364 ( 4.345 -1.145 -1.336) 4.688 2.364 ( 4.345 1.145 -1.336) 4.688 2.401 ( 1.283 -2.251 0.508) 2.640 2.401 ( 1.283 2.251 0.508) 2.640 2.551 ( 1.642 -0.882 -0.559) 1.946 2.551 ( 1.642 0.882 -0.559) 1.946 2.639 ( 1.951 -1.677 -0.074) 2.573 2.639 ( 1.951 1.677 -0.074) 2.573 2.678 ( 0.532 -1.647 0.301) 1.757 2.678 ( 0.532 1.647 0.301) 1.757 2.778 ( 1.599 -1.028 1.221) 2.260 2.778 ( 1.599 1.028 1.221) 2.260 2.922 ( -0.132 -4.186 -2.386) 4.820 2.922 ( -0.132 4.186 -2.386) 4.820 3.054 ( -0.878 -1.945 1.429) 2.568 3.054 ( -0.878 1.945 1.429) 2.568 3.210 ( 0.112 -1.763 -1.056) 2.058 3.210 ( 0.112 1.763 -1.056) 2.058 3.344 ( -0.571 -2.827 -0.426) 2.916 3.344 ( -0.571 2.827 -0.426) 2.916 3.439 ( -6.048 -4.640 4.076) 8.645 3.439 ( -6.048 4.640 4.076) 8.645 3.677 ( -0.677 -4.911 0.491) 4.982 3.677 ( -0.677 4.911 0.491) 4.982 3.766 ( -0.525 -5.121 -0.556) 5.178 3.766 ( -0.525 5.121 -0.556) 5.178 4.065 ( 0.141 -4.938 -4.833) 6.911 4.065 ( 0.141 4.938 -4.833) 6.911 4.331 ( -5.142 -4.342 2.837) 7.303 4.331 ( -5.142 4.342 2.837) 7.303 4.730 ( 4.236 -9.503 -0.460) 10.414 4.730 ( 4.236 9.503 -0.460) 10.414 5.297 ( 5.971 -9.780 -0.384) 11.465 5.297 ( 5.971 9.780 -0.384) 11.465 5.517 ( 5.243 -3.809 0.369) 6.491 5.517 ( 5.243 3.809 0.369) 6.491 7.061 ( -1.685 -3.413 -0.190) 3.811 7.061 ( -1.685 3.413 -0.190) 3.811 7.964 ( -1.118 -1.182 -0.554) 1.719 7.964 ( -1.118 1.182 -0.554) 1.719 8.861 ( -1.388 -2.195 0.685) 2.685 8.861 ( -1.388 2.195 0.685) 2.685 9.258 ( 3.945 -4.199 0.847) 5.823 9.258 ( 3.945 4.199 0.847) 5.823 10.128 ( 0.468 -1.196 3.251) 3.495 10.128 ( 0.468 1.196 3.251) 3.495 10.535 ( 4.060 -3.809 -3.616) 6.639 10.535 ( 4.060 3.809 -3.616) 6.639 10.868 ( -1.572 -2.381 -2.610) 3.867 10.868 ( -1.572 2.381 -2.610) 3.867 11.028 ( -2.237 -2.196 -1.188) 3.353 11.028 ( -2.237 2.196 -1.188) 3.353 11.465 ( 3.476 -2.198 4.180) 5.864 11.465 ( 3.476 2.198 4.180) 5.864 12.010 ( -12.002 -2.138 1.415) 12.273 12.010 ( -12.002 2.138 1.415) 12.273 12.231 ( 1.034 -6.105 -0.971) 6.268 12.231 ( 1.034 6.105 -0.971) 6.268 12.443 ( -2.482 -4.134 1.630) 5.090 12.443 ( -2.482 4.134 1.630) 5.090 12.704 ( -0.837 -2.404 -3.296) 4.165 12.704 ( -0.837 2.404 -3.296) 4.165 13.023 ( -0.663 -2.888 2.253) 3.723 13.023 ( -0.663 2.888 2.253) 3.723 13.127 ( -1.510 -4.123 -1.625) 4.682 13.127 ( -1.510 4.123 -1.625) 4.682 13.403 ( 1.814 -3.542 0.740) 4.047 13.403 ( 1.814 3.542 0.740) 4.047 13.728 ( 6.489 -6.858 0.449) 9.452 13.728 ( 6.489 6.858 0.449) 9.452 13.932 ( 0.595 -4.471 -0.561) 4.545 13.932 ( 0.595 4.471 -0.561) 4.545 14.197 ( -1.657 -5.001 -1.219) 5.407 14.197 ( -1.657 5.001 -1.219) 5.407 14.363 ( -4.001 -3.500 0.158) 5.319 14.363 ( -4.001 3.500 0.158) 5.319 14.704 ( -2.300 -10.114 0.408) 10.380 14.704 ( -2.300 10.114 0.408) 10.380 14.991 ( 2.246 -7.757 0.023) 8.076 14.991 ( 2.246 7.757 0.023) 8.076 15.283 ( 2.822 -8.538 0.616) 9.013 15.283 ( 2.822 8.538 0.616) 9.013 16.470 ( 8.929 -3.329 -0.514) 9.544 16.470 ( 8.929 3.329 -0.514) 9.544 ======================= Grid point 106 (56/76) ======================= q-point: (-0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -4.118 -4.614 1.494) 6.362 0.543 ( -4.118 4.614 1.494) 6.362 0.752 ( -4.134 -7.859 -1.666) 9.036 0.752 ( -4.134 7.859 -1.666) 9.036 0.909 ( -0.809 -4.742 -0.259) 4.818 0.909 ( -0.809 4.742 -0.259) 4.818 1.068 ( -2.205 -6.748 0.539) 7.120 1.068 ( -2.205 6.748 0.539) 7.120 1.125 ( -3.630 -4.070 0.083) 5.454 1.125 ( -3.630 4.070 0.083) 5.454 1.240 ( -3.151 -0.139 -1.566) 3.521 1.240 ( -3.151 0.139 -1.566) 3.521 1.450 ( 0.244 -1.926 1.620) 2.528 1.450 ( 0.244 1.926 1.620) 2.528 1.507 ( -1.007 -3.597 -1.143) 3.906 1.507 ( -1.007 3.597 -1.143) 3.906 1.613 ( -2.336 -2.585 -0.052) 3.485 1.613 ( -2.336 2.585 -0.052) 3.485 1.637 ( -1.006 -0.663 -0.878) 1.491 1.637 ( -1.006 0.663 -0.878) 1.491 1.755 ( 0.236 -2.235 1.875) 2.927 1.755 ( 0.236 2.235 1.875) 2.927 1.809 ( -0.144 -1.906 0.681) 2.029 1.809 ( -0.144 1.906 0.681) 2.029 1.879 ( 0.200 -5.903 0.742) 5.953 1.879 ( 0.200 5.903 0.742) 5.953 1.973 ( -2.367 -8.613 1.476) 9.054 1.973 ( -2.367 8.613 1.476) 9.054 2.127 ( 1.701 -2.484 -1.176) 3.232 2.127 ( 1.701 2.484 -1.176) 3.232 2.151 ( -0.430 -1.579 -0.907) 1.871 2.151 ( -0.430 1.579 -0.907) 1.871 2.268 ( 0.723 -3.012 0.291) 3.111 2.268 ( 0.723 3.012 0.291) 3.111 2.314 ( 0.241 -1.513 1.543) 2.175 2.314 ( 0.241 1.513 1.543) 2.175 2.412 ( 1.482 -3.501 -0.695) 3.865 2.412 ( 1.482 3.501 -0.695) 3.865 2.489 ( 4.861 -1.154 0.911) 5.078 2.489 ( 4.861 1.154 0.911) 5.078 2.571 ( 1.460 -1.628 -1.442) 2.619 2.571 ( 1.460 1.628 -1.442) 2.619 2.642 ( -0.002 -0.835 0.343) 0.903 2.642 ( -0.002 0.835 0.343) 0.903 2.704 ( 1.572 -2.823 -1.300) 3.483 2.704 ( 1.572 2.823 -1.300) 3.483 2.811 ( 1.444 -2.113 -1.022) 2.756 2.811 ( 1.444 2.113 -1.022) 2.756 2.921 ( 1.231 -3.629 1.067) 3.978 2.921 ( 1.231 3.629 1.067) 3.978 3.031 ( -3.161 -2.112 2.531) 4.566 3.031 ( -3.161 2.112 2.531) 4.566 3.195 ( -1.777 -2.236 0.778) 2.960 3.195 ( -1.777 2.236 0.778) 2.960 3.298 ( -1.925 -2.573 -2.360) 3.987 3.298 ( -1.925 2.573 -2.360) 3.987 3.410 ( -0.716 -2.432 2.391) 3.484 3.410 ( -0.716 2.432 2.391) 3.484 3.663 ( -0.022 -4.203 -2.566) 4.925 3.663 ( -0.022 4.203 -2.566) 4.925 3.757 ( -0.256 -1.530 -1.377) 2.074 3.757 ( -0.256 1.530 -1.377) 2.074 4.019 ( -0.479 -4.282 -3.488) 5.544 4.019 ( -0.479 4.282 -3.488) 5.544 4.280 ( -2.821 -6.162 4.404) 8.082 4.280 ( -2.821 6.162 4.404) 8.082 4.788 ( 1.917 -5.541 -0.782) 5.915 4.788 ( 1.917 5.541 -0.782) 5.915 5.402 ( 4.696 -7.585 1.044) 8.982 5.402 ( 4.696 7.585 1.044) 8.982 5.606 ( 3.669 -4.158 -1.024) 5.639 5.606 ( 3.669 4.158 -1.024) 5.639 7.027 ( -1.640 -3.138 0.437) 3.568 7.027 ( -1.640 3.138 0.437) 3.568 7.927 ( -1.263 -1.259 -2.209) 2.839 7.927 ( -1.263 1.259 -2.209) 2.839 8.856 ( -0.871 -1.854 3.362) 3.937 8.856 ( -0.871 1.854 3.362) 3.937 9.353 ( 3.505 -3.481 3.913) 6.302 9.353 ( 3.505 3.481 3.913) 6.302 10.148 ( -0.880 -2.086 1.776) 2.878 10.148 ( -0.880 2.086 1.776) 2.878 10.571 ( 3.840 -3.446 -6.978) 8.678 10.571 ( 3.840 3.446 -6.978) 8.678 10.777 ( -1.365 -2.922 -8.350) 8.951 10.777 ( -1.365 2.922 -8.350) 8.951 11.041 ( -0.694 -1.425 9.582) 9.712 11.041 ( -0.694 1.425 9.582) 9.712 11.552 ( 1.691 -1.176 2.146) 2.974 11.552 ( 1.691 1.176 2.146) 2.974 11.826 ( -7.800 -5.615 2.271) 9.875 11.826 ( -7.800 5.615 2.271) 9.875 12.257 ( 2.825 -7.529 -1.999) 8.286 12.257 ( 2.825 7.529 -1.999) 8.286 12.408 ( -2.851 -4.939 1.812) 5.984 12.408 ( -2.851 4.939 1.812) 5.984 12.668 ( -0.424 -2.637 -1.964) 3.315 12.668 ( -0.424 2.637 -1.964) 3.315 12.995 ( -1.823 -1.246 -2.527) 3.356 12.995 ( -1.823 1.246 -2.527) 3.356 13.113 ( 0.378 -7.807 1.173) 7.903 13.113 ( 0.378 7.807 1.173) 7.903 13.438 ( -0.210 -1.799 4.286) 4.653 13.438 ( -0.210 1.799 4.286) 4.653 13.821 ( 3.079 -5.720 -1.465) 6.659 13.821 ( 3.079 5.720 -1.465) 6.659 13.935 ( 0.997 -3.019 -2.842) 4.265 13.935 ( 0.997 3.019 -2.842) 4.265 14.169 ( 0.955 -4.182 -1.690) 4.610 14.169 ( 0.955 4.182 -1.690) 4.610 14.319 ( -2.342 -4.684 2.508) 5.807 14.319 ( -2.342 4.684 2.508) 5.807 14.662 ( -2.138 -10.983 0.299) 11.193 14.662 ( -2.138 10.983 0.299) 11.193 15.001 ( 0.134 -8.616 -2.147) 8.880 15.001 ( 0.134 8.616 -2.147) 8.880 15.346 ( 2.174 -6.442 2.124) 7.123 15.346 ( 2.174 6.442 2.124) 7.123 16.616 ( 6.640 -2.461 -1.975) 7.352 16.616 ( 6.640 2.461 -1.975) 7.352 ======================= Grid point 126 (57/76) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 5.952 0.000 -3.338) 6.824 0.481 ( -5.952 0.000 3.338) 6.824 0.524 ( -2.109 0.000 -5.100) 5.519 0.524 ( 2.109 0.000 5.100) 5.519 0.851 ( -2.964 0.000 -7.926) 8.462 0.851 ( 2.964 0.000 7.926) 8.462 1.104 ( -2.679 0.000 -0.062) 2.680 1.104 ( 2.679 0.000 0.062) 2.680 1.229 ( -0.437 0.000 -0.672) 0.802 1.229 ( 0.437 0.000 0.672) 0.802 1.326 ( 2.952 0.000 -7.407) 7.974 1.326 ( -2.952 0.000 7.407) 7.974 1.396 ( -1.012 0.000 -2.247) 2.464 1.396 ( 1.012 0.000 2.247) 2.464 1.507 ( -0.304 0.000 -1.295) 1.330 1.507 ( 0.304 0.000 1.295) 1.330 1.532 ( 0.185 0.000 -4.002) 4.006 1.532 ( -0.185 0.000 4.002) 4.006 1.624 ( -1.145 0.000 -2.250) 2.525 1.624 ( 1.145 0.000 2.250) 2.525 1.693 ( -1.240 0.000 -1.845) 2.223 1.693 ( 1.240 0.000 1.845) 2.223 1.776 ( -1.888 0.000 0.141) 1.893 1.776 ( 1.888 0.000 -0.141) 1.893 1.953 ( 1.023 0.000 -5.100) 5.202 1.953 ( -1.023 0.000 5.100) 5.202 2.055 ( 2.332 0.000 -1.369) 2.704 2.055 ( -2.332 0.000 1.369) 2.704 2.106 ( -1.783 0.000 0.491) 1.849 2.106 ( 1.783 0.000 -0.491) 1.849 2.135 ( -0.671 0.000 -3.158) 3.229 2.135 ( 0.671 0.000 3.158) 3.229 2.293 ( -1.124 0.000 -1.000) 1.505 2.293 ( 1.124 0.000 1.000) 1.505 2.362 ( -0.460 0.000 -2.787) 2.825 2.362 ( 0.460 0.000 2.787) 2.825 2.425 ( 2.403 0.000 -1.276) 2.721 2.425 ( -2.403 0.000 1.276) 2.721 2.570 ( 0.824 0.000 -0.299) 0.876 2.570 ( -0.824 0.000 0.299) 0.876 2.609 ( -3.235 0.000 -0.551) 3.282 2.609 ( 3.235 0.000 0.551) 3.282 2.651 ( 1.295 0.000 -0.593) 1.424 2.651 ( -1.295 0.000 0.593) 1.424 2.688 ( -3.690 0.000 -0.010) 3.690 2.688 ( 3.690 0.000 0.010) 3.690 2.839 ( -3.090 0.000 -1.795) 3.574 2.839 ( 3.090 0.000 1.795) 3.574 2.867 ( -3.248 0.000 -3.132) 4.512 2.867 ( 3.248 0.000 3.132) 4.512 3.001 ( -4.187 0.000 -1.108) 4.331 3.001 ( 4.187 0.000 1.108) 4.331 3.173 ( -1.677 0.000 -0.537) 1.761 3.173 ( 1.677 0.000 0.537) 1.761 3.275 ( 1.636 0.000 -3.530) 3.891 3.275 ( -1.636 0.000 3.530) 3.891 3.398 ( -0.456 0.000 -2.524) 2.565 3.398 ( 0.456 0.000 2.524) 2.565 3.643 ( -0.563 0.000 -0.238) 0.611 3.643 ( 0.563 0.000 0.238) 0.611 3.863 ( 0.110 0.000 -0.420) 0.434 3.863 ( -0.110 0.000 0.420) 0.434 4.034 ( 1.435 0.000 -6.530) 6.685 4.034 ( -1.435 0.000 6.530) 6.685 4.291 ( -2.311 0.000 -6.753) 7.138 4.291 ( 2.311 0.000 6.753) 7.138 4.834 ( -0.408 0.000 -0.753) 0.856 4.834 ( 0.408 0.000 0.753) 0.856 5.524 ( -1.040 0.000 -4.813) 4.924 5.524 ( 1.040 0.000 4.813) 4.924 5.586 ( 2.129 0.000 -5.432) 5.835 5.586 ( -2.129 0.000 5.432) 5.835 7.103 ( 0.587 0.000 -5.804) 5.834 7.103 ( -0.587 0.000 5.804) 5.834 7.988 ( -6.895 0.000 -3.164) 7.586 7.988 ( 6.895 0.000 3.164) 7.586 8.681 ( -1.238 0.000 -6.709) 6.822 8.681 ( 1.238 0.000 6.709) 6.822 9.623 ( -0.668 0.000 -14.567) 14.583 9.623 ( 0.668 0.000 14.567) 14.583 10.239 ( 2.111 0.000 -11.093) 11.292 10.239 ( -2.111 0.000 11.093) 11.292 10.289 ( 2.882 0.000 -9.037) 9.486 10.289 ( -2.882 0.000 9.037) 9.486 10.750 ( 4.157 0.000 -5.579) 6.957 10.750 ( -4.157 0.000 5.579) 6.957 11.167 ( -2.348 0.000 0.469) 2.394 11.167 ( 2.348 0.000 -0.469) 2.394 11.466 ( 1.035 0.000 -0.429) 1.120 11.466 ( -1.035 0.000 0.429) 1.120 11.862 ( 6.771 0.000 -2.302) 7.152 11.862 ( -6.771 0.000 2.302) 7.152 12.291 ( -5.899 0.000 -6.978) 9.137 12.291 ( 5.899 0.000 6.978) 9.137 12.343 ( 2.187 0.000 -1.049) 2.426 12.343 ( -2.187 0.000 1.049) 2.426 12.468 ( -5.670 0.000 -7.122) 9.104 12.468 ( 5.670 0.000 7.122) 9.104 13.048 ( -3.196 0.000 -0.374) 3.218 13.048 ( 3.196 0.000 0.374) 3.218 13.379 ( -6.466 0.000 1.128) 6.563 13.379 ( 6.466 0.000 -1.128) 6.563 13.556 ( -0.041 0.000 -2.829) 2.830 13.556 ( 0.041 0.000 2.829) 2.830 13.715 ( -10.354 0.000 3.310) 10.870 13.715 ( 10.354 0.000 -3.310) 10.870 13.975 ( 1.224 0.000 -1.333) 1.809 13.975 ( -1.224 0.000 1.333) 1.809 14.155 ( -5.384 0.000 0.875) 5.455 14.155 ( 5.384 0.000 -0.875) 5.455 14.252 ( 2.077 0.000 -2.530) 3.273 14.252 ( -2.077 0.000 2.530) 3.273 14.483 ( -2.483 0.000 -2.292) 3.379 14.483 ( 2.483 0.000 2.292) 3.379 15.216 ( -6.912 0.000 1.616) 7.098 15.216 ( 6.912 0.000 -1.616) 7.098 15.545 ( -0.841 0.000 0.274) 0.885 15.545 ( 0.841 0.000 -0.274) 0.885 16.235 ( -3.538 0.000 -9.403) 10.046 16.235 ( 3.538 0.000 9.403) 10.046 ======================= Grid point 128 (58/76) ======================= q-point: ( 0.11 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 6.479 0.000 -8.846) 10.965 0.451 ( 1.646 0.000 -12.890) 12.995 0.616 ( 6.255 0.000 9.488) 11.364 0.719 ( 7.772 0.000 8.781) 11.727 0.900 ( 14.880 0.000 -7.218) 16.539 1.001 ( 7.134 0.000 0.472) 7.150 1.134 ( 6.158 0.000 -1.388) 6.312 1.200 ( 7.354 0.000 -2.669) 7.824 1.241 ( 2.103 0.000 0.002) 2.103 1.248 ( 0.172 0.000 0.298) 0.344 1.316 ( 2.535 0.000 -5.666) 6.207 1.372 ( 2.642 0.000 5.976) 6.534 1.379 ( 1.607 0.000 -3.967) 4.280 1.433 ( 1.030 0.000 -1.049) 1.470 1.493 ( 0.401 0.000 2.153) 2.190 1.516 ( 0.483 0.000 2.337) 2.387 1.544 ( 3.217 0.000 -3.454) 4.721 1.580 ( -0.088 0.000 2.745) 2.746 1.603 ( 2.162 0.000 -1.617) 2.700 1.659 ( -0.341 0.000 -1.887) 1.917 1.683 ( 2.294 0.000 3.517) 4.198 1.739 ( 1.589 0.000 1.846) 2.436 1.765 ( -0.185 0.000 1.430) 1.442 1.829 ( 2.105 0.000 2.116) 2.985 1.929 ( 0.592 0.000 -3.918) 3.963 1.981 ( -0.589 0.000 5.381) 5.414 1.993 ( -3.655 0.000 -0.802) 3.742 2.076 ( 1.352 0.000 -0.771) 1.557 2.083 ( -1.169 0.000 1.323) 1.765 2.129 ( 1.129 0.000 0.772) 1.368 2.137 ( 0.853 0.000 0.431) 0.955 2.199 ( 2.010 0.000 -0.267) 2.028 2.271 ( -1.175 0.000 3.854) 4.029 2.293 ( -1.607 0.000 -3.256) 3.631 2.334 ( 1.448 0.000 -0.351) 1.490 2.359 ( -1.918 0.000 0.372) 1.953 2.390 ( -3.074 0.000 2.793) 4.153 2.432 ( -1.020 0.000 -1.727) 2.005 2.517 ( -4.075 0.000 -0.433) 4.098 2.570 ( -0.685 0.000 -0.380) 0.784 2.574 ( -0.914 0.000 1.240) 1.541 2.588 ( -3.443 0.000 -2.016) 3.990 2.632 ( -1.314 0.000 -0.807) 1.542 2.666 ( 0.840 0.000 -0.534) 0.995 2.697 ( 2.800 0.000 2.414) 3.697 2.735 ( 0.837 0.000 -1.147) 1.420 2.769 ( -4.033 0.000 -1.777) 4.407 2.802 ( 0.776 0.000 -1.205) 1.433 2.877 ( -2.115 0.000 -2.670) 3.407 2.930 ( -0.191 0.000 4.381) 4.385 2.968 ( 2.842 0.000 5.036) 5.783 3.042 ( -1.001 0.000 -0.924) 1.362 3.145 ( 0.053 0.000 -3.428) 3.428 3.232 ( 1.977 0.000 1.209) 2.318 3.260 ( 0.034 0.000 1.088) 1.089 3.263 ( 0.495 0.000 -2.231) 2.285 3.378 ( 0.081 0.000 -1.959) 1.961 3.435 ( 1.028 0.000 1.792) 2.066 3.651 ( 0.891 0.000 1.645) 1.871 3.666 ( 0.633 0.000 1.436) 1.570 3.849 ( -0.703 0.000 -1.583) 1.733 3.853 ( -1.141 0.000 0.248) 1.167 3.988 ( -0.536 0.000 -5.700) 5.725 4.049 ( -2.673 0.000 6.761) 7.270 4.219 ( 2.012 0.000 -7.018) 7.301 4.389 ( 2.268 0.000 4.822) 5.329 4.829 ( 0.126 0.000 0.019) 0.127 4.848 ( -0.844 0.000 2.289) 2.440 5.401 ( -6.926 0.000 -5.135) 8.622 5.519 ( -4.837 0.000 3.329) 5.872 5.532 ( -2.433 0.000 -5.265) 5.800 5.545 ( -5.959 0.000 4.471) 7.450 7.079 ( 2.350 0.000 -5.744) 6.206 7.148 ( 0.410 0.000 4.542) 4.560 7.879 ( -3.588 0.000 0.986) 3.721 8.166 ( 5.034 0.000 7.751) 9.243 8.588 ( -1.883 0.000 -6.869) 7.122 8.736 ( -0.062 0.000 3.199) 3.200 9.470 ( -2.416 0.000 -13.001) 13.224 9.695 ( -5.857 0.000 9.214) 10.918 10.165 ( -0.769 0.000 -9.176) 9.208 10.251 ( 1.400 0.000 -7.656) 7.783 10.260 ( -5.430 0.000 3.613) 6.522 10.289 ( -2.053 0.000 10.840) 11.033 10.689 ( -5.117 0.000 2.630) 5.754 10.753 ( 2.243 0.000 -6.775) 7.136 11.107 ( -5.126 0.000 3.971) 6.485 11.195 ( 0.061 0.000 2.926) 2.926 11.568 ( 7.049 0.000 5.357) 8.854 11.618 ( 10.708 0.000 5.943) 12.247 11.761 ( -3.068 0.000 -2.025) 3.677 11.922 ( 3.822 0.000 -10.409) 11.088 12.158 ( 0.248 0.000 -4.243) 4.251 12.261 ( -4.736 0.000 -0.548) 4.768 12.300 ( -1.296 0.000 -6.245) 6.379 12.345 ( -1.645 0.000 -3.125) 3.531 12.554 ( 8.668 0.000 9.351) 12.750 12.604 ( 1.779 0.000 3.924) 4.308 12.997 ( -0.562 0.000 0.738) 0.928 13.078 ( 1.809 0.000 -4.594) 4.938 13.257 ( -7.634 0.000 3.093) 8.237 13.300 ( -12.474 0.000 -6.709) 14.164 13.492 ( 4.821 0.000 -1.695) 5.110 13.573 ( -1.948 0.000 6.379) 6.670 13.728 ( 6.106 0.000 3.650) 7.114 13.745 ( -3.320 0.000 -1.239) 3.544 13.860 ( -9.363 0.000 -1.337) 9.458 13.959 ( 0.862 0.000 -6.713) 6.768 14.145 ( 0.665 0.000 3.226) 3.294 14.188 ( 0.880 0.000 -0.523) 1.024 14.326 ( 5.968 0.000 -1.887) 6.259 14.359 ( 5.699 0.000 -0.697) 5.741 14.448 ( 2.604 0.000 -1.531) 3.021 14.552 ( 2.465 0.000 2.679) 3.641 15.163 ( -1.816 0.000 4.086) 4.471 15.344 ( 1.773 0.000 -0.192) 1.784 15.511 ( -1.481 0.000 4.691) 4.919 15.520 ( -3.269 0.000 0.327) 3.286 16.069 ( -4.280 0.000 -9.580) 10.493 16.328 ( -1.131 0.000 6.020) 6.126 ======================= Grid point 129 (59/76) ======================= q-point: ( 0.22 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 7.780 0.000 -3.579) 8.564 0.566 ( 13.245 0.000 -2.789) 13.536 0.859 ( 8.381 0.000 11.419) 14.165 0.942 ( 8.718 0.000 5.381) 10.245 1.093 ( 6.519 0.000 -1.856) 6.778 1.104 ( 3.855 0.000 -0.391) 3.875 1.235 ( -1.101 0.000 -0.018) 1.101 1.244 ( 1.227 0.000 -0.568) 1.352 1.322 ( 8.656 0.000 -3.533) 9.349 1.327 ( 7.832 0.000 -3.981) 8.786 1.381 ( 9.323 0.000 -7.077) 11.705 1.422 ( 9.174 0.000 0.245) 9.177 1.424 ( -0.073 0.000 0.486) 0.492 1.459 ( 2.241 0.000 -0.372) 2.272 1.521 ( -1.325 0.000 1.285) 1.846 1.581 ( 3.495 0.000 0.194) 3.501 1.609 ( 5.678 0.000 2.768) 6.317 1.613 ( 4.902 0.000 -1.225) 5.052 1.645 ( 0.893 0.000 -1.324) 1.597 1.673 ( 4.405 0.000 0.551) 4.440 1.758 ( 1.919 0.000 -0.329) 1.947 1.774 ( 1.375 0.000 -0.101) 1.379 1.797 ( 3.165 0.000 2.518) 4.044 1.860 ( 0.150 0.000 0.379) 0.407 1.910 ( -0.273 0.000 -2.019) 2.038 1.939 ( -0.046 0.000 0.168) 0.174 2.017 ( -0.289 0.000 3.641) 3.652 2.071 ( -1.541 0.000 -2.546) 2.976 2.073 ( -1.346 0.000 1.634) 2.117 2.157 ( 0.313 0.000 1.345) 1.381 2.162 ( 1.470 0.000 0.048) 1.471 2.192 ( -0.517 0.000 0.048) 0.519 2.240 ( -0.783 0.000 -2.784) 2.892 2.285 ( -3.391 0.000 3.043) 4.556 2.334 ( -0.701 0.000 0.152) 0.718 2.334 ( -2.722 0.000 0.611) 2.789 2.392 ( -0.578 0.000 0.273) 0.639 2.393 ( 1.918 0.000 2.593) 3.226 2.445 ( -3.009 0.000 -0.255) 3.019 2.486 ( -1.920 0.000 -5.970) 6.271 2.544 ( -2.558 0.000 -0.051) 2.558 2.566 ( -0.742 0.000 0.249) 0.783 2.607 ( -1.264 0.000 1.218) 1.755 2.669 ( 0.566 0.000 -2.498) 2.561 2.680 ( -2.175 0.000 -1.622) 2.713 2.724 ( -1.131 0.000 0.900) 1.445 2.749 ( -2.746 0.000 2.484) 3.702 2.810 ( 0.530 0.000 -1.351) 1.451 2.840 ( 0.186 0.000 1.897) 1.906 2.935 ( -3.574 0.000 3.222) 4.812 2.945 ( -6.162 0.000 -1.099) 6.259 3.049 ( 0.669 0.000 -0.781) 1.028 3.129 ( 2.093 0.000 -2.724) 3.435 3.213 ( -2.479 0.000 1.380) 2.837 3.306 ( 5.092 0.000 3.159) 5.993 3.328 ( 2.507 0.000 0.066) 2.508 3.363 ( -0.392 0.000 -0.594) 0.711 3.470 ( 2.882 0.000 -0.729) 2.973 3.669 ( -1.268 0.000 -0.656) 1.428 3.697 ( 1.863 0.000 1.755) 2.560 3.803 ( -2.217 0.000 -3.360) 4.025 3.833 ( -1.527 0.000 1.561) 2.184 3.933 ( -0.574 0.000 -3.048) 3.102 4.058 ( -2.595 0.000 7.147) 7.604 4.249 ( 5.685 0.000 -5.125) 7.654 4.452 ( 0.704 0.000 3.478) 3.548 4.815 ( -1.604 0.000 -2.682) 3.125 4.827 ( -3.893 0.000 3.103) 4.978 5.206 ( -8.483 0.000 -3.001) 8.999 5.415 ( -8.066 0.000 1.355) 8.179 5.433 ( -2.905 0.000 -3.937) 4.893 5.474 ( -4.866 0.000 4.652) 6.732 7.096 ( 4.085 0.000 -4.592) 6.146 7.192 ( 0.585 0.000 3.300) 3.351 7.857 ( -1.109 0.000 3.370) 3.548 8.234 ( -3.395 0.000 2.988) 4.522 8.511 ( -1.009 0.000 -3.602) 3.741 8.743 ( -0.182 0.000 -0.558) 0.587 9.321 ( -2.838 0.000 -8.939) 9.379 9.561 ( -7.570 0.000 -3.600) 8.382 10.059 ( -2.843 0.000 -5.754) 6.418 10.214 ( 0.619 0.000 -6.101) 6.132 10.237 ( -0.251 0.000 4.512) 4.519 10.354 ( -0.214 0.000 8.550) 8.552 10.631 ( -3.410 0.000 3.040) 4.568 10.723 ( 1.362 0.000 -8.230) 8.342 11.070 ( -2.622 0.000 5.100) 5.735 11.219 ( -0.593 0.000 3.407) 3.458 11.707 ( 5.919 0.000 -9.820) 11.466 11.793 ( 5.040 0.000 11.738) 12.774 11.846 ( 6.641 0.000 -9.591) 11.665 11.949 ( 10.622 0.000 4.948) 11.718 12.187 ( -1.520 0.000 -1.050) 1.847 12.188 ( 1.594 0.000 -0.837) 1.801 12.268 ( 0.250 0.000 -0.101) 0.270 12.298 ( 3.362 0.000 -3.142) 4.601 12.641 ( 0.682 0.000 0.897) 1.127 12.779 ( 7.030 0.000 4.873) 8.554 13.007 ( -0.725 0.000 0.660) 0.980 13.057 ( 0.596 0.000 -3.706) 3.753 13.109 ( -3.014 0.000 -4.688) 5.573 13.153 ( -6.143 0.000 3.576) 7.108 13.517 ( -3.396 0.000 -5.941) 6.843 13.553 ( -4.204 0.000 2.588) 4.937 13.653 ( -5.691 0.000 -0.302) 5.699 13.696 ( -2.917 0.000 0.060) 2.917 13.874 ( 4.010 0.000 5.903) 7.136 13.928 ( 1.257 0.000 -1.757) 2.160 14.196 ( 1.681 0.000 4.338) 4.653 14.217 ( 2.576 0.000 -0.959) 2.748 14.362 ( -1.036 0.000 -1.739) 2.025 14.390 ( 2.125 0.000 -2.154) 3.025 14.558 ( 6.990 0.000 -1.409) 7.130 14.640 ( 3.923 0.000 3.151) 5.032 15.190 ( 0.144 0.000 4.146) 4.149 15.216 ( -7.429 0.000 -6.431) 9.826 15.435 ( -5.210 0.000 -0.553) 5.239 15.603 ( 0.558 0.000 10.265) 10.280 15.913 ( -4.845 0.000 -7.083) 8.582 16.299 ( -5.325 0.000 2.270) 5.789 ======================= Grid point 130 (60/76) ======================= q-point: ( 0.33 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 9.630 0.000 4.441) 10.604 0.810 ( 12.187 0.000 1.448) 12.273 1.067 ( 3.200 0.000 7.223) 7.900 1.109 ( 4.747 0.000 0.719) 4.801 1.161 ( 1.835 0.000 -0.162) 1.842 1.186 ( 5.585 0.000 0.205) 5.589 1.210 ( -1.312 0.000 2.469) 2.796 1.222 ( 0.123 0.000 -3.753) 3.755 1.349 ( 0.329 0.000 -0.799) 0.864 1.385 ( 1.379 0.000 -1.560) 2.082 1.435 ( 1.819 0.000 -1.894) 2.626 1.483 ( -1.468 0.000 -0.255) 1.490 1.527 ( 3.914 0.000 0.486) 3.944 1.570 ( 3.546 0.000 -0.405) 3.569 1.611 ( 8.706 0.000 -2.953) 9.193 1.624 ( 0.897 0.000 3.113) 3.240 1.658 ( 2.332 0.000 -1.621) 2.840 1.685 ( 4.282 0.000 0.405) 4.301 1.692 ( 1.285 0.000 -3.292) 3.534 1.782 ( 3.406 0.000 1.078) 3.573 1.818 ( 6.904 0.000 -2.676) 7.404 1.824 ( 4.837 0.000 -2.087) 5.268 1.854 ( -0.968 0.000 3.884) 4.003 1.888 ( 5.487 0.000 -1.181) 5.612 1.924 ( 3.718 0.000 0.769) 3.797 1.997 ( -3.004 0.000 -0.405) 3.031 2.022 ( 5.221 0.000 0.991) 5.315 2.041 ( 1.829 0.000 0.579) 1.918 2.064 ( 0.347 0.000 1.292) 1.337 2.152 ( -2.393 0.000 -0.539) 2.453 2.173 ( 0.550 0.000 0.556) 0.782 2.189 ( 0.359 0.000 -1.675) 1.713 2.208 ( -0.848 0.000 -0.730) 1.119 2.234 ( -4.296 0.000 2.338) 4.891 2.288 ( -1.980 0.000 0.395) 2.019 2.319 ( -0.121 0.000 -2.234) 2.237 2.348 ( -0.295 0.000 -4.649) 4.658 2.396 ( -1.277 0.000 -1.512) 1.979 2.459 ( 1.794 0.000 1.912) 2.622 2.482 ( -0.703 0.000 1.837) 1.967 2.497 ( 0.347 0.000 0.611) 0.702 2.540 ( -2.163 0.000 -0.693) 2.271 2.602 ( -1.800 0.000 3.210) 3.680 2.639 ( -0.880 0.000 -3.716) 3.819 2.645 ( 0.317 0.000 -2.274) 2.296 2.684 ( -5.286 0.000 2.839) 6.000 2.725 ( 0.170 0.000 1.872) 1.880 2.779 ( -3.806 0.000 -0.733) 3.876 2.792 ( -4.331 0.000 -3.465) 5.546 2.855 ( -1.539 0.000 1.533) 2.172 2.946 ( 0.671 0.000 6.062) 6.099 3.024 ( 0.610 0.000 -3.592) 3.643 3.158 ( 2.597 0.000 -1.066) 2.807 3.166 ( -3.088 0.000 -0.178) 3.093 3.333 ( -1.148 0.000 0.055) 1.150 3.359 ( -0.163 0.000 1.437) 1.446 3.476 ( 5.396 0.000 5.102) 7.426 3.533 ( 3.204 0.000 -2.776) 4.239 3.608 ( -1.528 0.000 -2.960) 3.331 3.695 ( -3.065 0.000 -6.137) 6.860 3.742 ( 0.270 0.000 1.899) 1.918 3.826 ( -1.778 0.000 3.826) 4.219 3.930 ( 1.868 0.000 -0.178) 1.876 4.078 ( -1.704 0.000 6.985) 7.190 4.309 ( 4.428 0.000 -4.868) 6.580 4.469 ( -3.114 0.000 3.331) 4.559 4.698 ( -3.775 0.000 -8.431) 9.237 4.762 ( -5.881 0.000 4.154) 7.200 5.078 ( -3.888 0.000 1.006) 4.016 5.260 ( -7.942 0.000 -0.494) 7.958 5.379 ( 0.041 0.000 -1.822) 1.822 5.439 ( -2.941 0.000 3.771) 4.783 7.148 ( 4.717 0.000 -3.377) 5.801 7.225 ( -0.006 0.000 2.887) 2.887 7.882 ( 0.098 0.000 4.150) 4.151 8.133 ( -5.264 0.000 -3.543) 6.346 8.497 ( 0.815 0.000 0.744) 1.103 8.712 ( -1.508 0.000 -3.271) 3.601 9.226 ( -1.254 0.000 -3.280) 3.512 9.418 ( -4.418 0.000 -3.915) 5.902 9.985 ( -1.442 0.000 -0.962) 1.734 10.157 ( -1.394 0.000 -5.841) 6.005 10.292 ( 0.956 0.000 5.462) 5.545 10.408 ( -0.253 0.000 4.048) 4.055 10.611 ( -2.631 0.000 5.484) 6.083 10.673 ( 1.908 0.000 -9.697) 9.883 11.092 ( -0.247 0.000 5.675) 5.680 11.225 ( -1.138 0.000 1.476) 1.864 11.754 ( 7.165 0.000 -8.028) 10.760 11.849 ( 4.163 0.000 -9.439) 10.317 11.984 ( 3.394 0.000 10.459) 10.996 12.165 ( -1.084 0.000 -0.020) 1.084 12.196 ( 3.301 0.000 0.165) 3.305 12.219 ( 9.787 0.000 1.406) 9.887 12.306 ( 2.007 0.000 4.202) 4.657 12.457 ( 10.394 0.000 5.647) 11.829 12.638 ( -0.411 0.000 -1.969) 2.011 12.859 ( 1.570 0.000 -3.016) 3.400 12.986 ( 0.087 0.000 -2.549) 2.551 13.054 ( -1.109 0.000 -0.803) 1.370 13.059 ( -0.352 0.000 1.484) 1.525 13.085 ( -5.306 0.000 5.293) 7.495 13.293 ( -10.563 0.000 -6.871) 12.601 13.429 ( -7.989 0.000 -6.454) 10.270 13.594 ( 0.029 0.000 3.607) 3.607 13.714 ( 2.181 0.000 -1.785) 2.818 13.969 ( 1.701 0.000 2.725) 3.212 13.976 ( 1.843 0.000 5.047) 5.373 14.271 ( 4.098 0.000 -0.851) 4.185 14.275 ( 1.694 0.000 3.094) 3.527 14.324 ( -1.056 0.000 -2.019) 2.279 14.405 ( 2.471 0.000 -0.752) 2.583 14.667 ( 5.263 0.000 -0.175) 5.266 14.718 ( 1.165 0.000 1.877) 2.209 15.036 ( -5.137 0.000 -5.056) 7.207 15.182 ( -6.406 0.000 2.996) 7.072 15.364 ( 0.763 0.000 -1.295) 1.503 15.650 ( -4.264 0.000 4.007) 5.851 15.798 ( -0.797 0.000 -0.697) 1.058 16.180 ( -7.228 0.000 -1.284) 7.341 ======================= Grid point 131 (61/76) ======================= q-point: ( 0.44 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 8.610 0.000 6.495) 10.785 1.006 ( 2.752 0.000 2.174) 3.507 1.098 ( -0.276 0.000 -3.326) 3.337 1.138 ( -0.647 0.000 -1.768) 1.882 1.143 ( 1.273 0.000 1.392) 1.886 1.186 ( 0.587 0.000 -3.644) 3.691 1.257 ( 0.377 0.000 4.157) 4.175 1.305 ( 1.635 0.000 1.113) 1.977 1.319 ( 0.812 0.000 -4.006) 4.088 1.370 ( -2.204 0.000 0.800) 2.345 1.455 ( -0.922 0.000 0.910) 1.295 1.463 ( 0.316 0.000 -0.489) 0.582 1.545 ( 0.621 0.000 -0.561) 0.837 1.564 ( -0.635 0.000 -0.818) 1.035 1.649 ( -0.664 0.000 2.488) 2.575 1.660 ( 0.222 0.000 -1.955) 1.968 1.719 ( 4.887 0.000 0.247) 4.893 1.762 ( 5.593 0.000 0.324) 5.602 1.785 ( 2.610 0.000 1.724) 3.128 1.797 ( -1.061 0.000 -0.588) 1.213 1.831 ( 0.485 0.000 -3.588) 3.621 1.849 ( -1.901 0.000 2.313) 2.994 1.928 ( 4.118 0.000 -2.586) 4.863 1.943 ( -1.651 0.000 1.687) 2.361 2.027 ( 3.446 0.000 2.784) 4.430 2.037 ( 1.253 0.000 1.179) 1.720 2.043 ( 5.753 0.000 -0.814) 5.810 2.092 ( -0.939 0.000 -1.466) 1.741 2.109 ( 1.256 0.000 -1.175) 1.720 2.122 ( 1.766 0.000 0.505) 1.837 2.152 ( -0.260 0.000 -1.927) 1.945 2.160 ( -0.962 0.000 -0.413) 1.047 2.174 ( -2.279 0.000 1.322) 2.635 2.226 ( -0.286 0.000 0.630) 0.692 2.260 ( -3.403 0.000 0.715) 3.477 2.265 ( -2.177 0.000 -2.512) 3.324 2.361 ( 3.256 0.000 -1.472) 3.574 2.408 ( 3.704 0.000 -3.004) 4.769 2.440 ( -1.717 0.000 1.014) 1.994 2.482 ( -0.356 0.000 2.006) 2.037 2.503 ( -1.047 0.000 0.530) 1.173 2.522 ( -0.053 0.000 -2.046) 2.047 2.569 ( -2.922 0.000 2.472) 3.828 2.590 ( -1.545 0.000 -1.330) 2.038 2.643 ( -1.381 0.000 4.039) 4.269 2.659 ( 2.356 0.000 -0.845) 2.503 2.685 ( -2.905 0.000 -1.801) 3.418 2.710 ( -3.208 0.000 0.230) 3.216 2.775 ( 2.708 0.000 -1.029) 2.897 2.818 ( -2.623 0.000 0.689) 2.712 3.028 ( 2.922 0.000 -3.449) 4.521 3.055 ( -0.812 0.000 6.250) 6.302 3.136 ( 6.001 0.000 -0.836) 6.059 3.211 ( 2.702 0.000 -0.189) 2.709 3.308 ( -1.259 0.000 0.029) 1.259 3.378 ( -1.035 0.000 1.931) 2.191 3.415 ( -9.408 0.000 0.519) 9.422 3.459 ( -3.161 0.000 -5.134) 6.029 3.649 ( 3.157 0.000 0.295) 3.171 3.676 ( 2.015 0.000 -2.391) 3.127 3.781 ( 3.550 0.000 -1.011) 3.692 3.821 ( -2.836 0.000 4.419) 5.251 4.004 ( 6.391 0.000 -1.154) 6.494 4.094 ( -4.237 0.000 6.589) 7.834 4.320 ( 1.435 0.000 -4.571) 4.791 4.358 ( -6.621 0.000 -0.091) 6.621 4.644 ( 3.862 0.000 -5.755) 6.931 4.690 ( -5.574 0.000 5.155) 7.593 5.060 ( 0.279 0.000 2.194) 2.212 5.126 ( -4.654 0.000 -2.042) 5.082 5.390 ( 1.813 0.000 -1.022) 2.081 5.416 ( -2.207 0.000 2.015) 2.989 7.205 ( 3.750 0.000 -2.781) 4.669 7.234 ( -1.719 0.000 2.747) 3.241 7.931 ( 1.275 0.000 4.406) 4.587 8.013 ( -3.286 0.000 -4.762) 5.786 8.549 ( 2.331 0.000 3.715) 4.385 8.635 ( -2.629 0.000 -4.583) 5.284 9.225 ( 1.808 0.000 1.621) 2.428 9.307 ( -3.878 0.000 -3.555) 5.261 9.993 ( 1.065 0.000 3.136) 3.312 10.067 ( -2.415 0.000 -5.456) 5.967 10.358 ( 1.409 0.000 4.192) 4.422 10.407 ( -1.177 0.000 -0.875) 1.466 10.618 ( -2.795 0.000 7.724) 8.214 10.637 ( 2.871 0.000 -9.279) 9.713 11.147 ( 1.033 0.000 4.634) 4.748 11.199 ( -1.423 0.000 -1.704) 2.220 11.816 ( 3.852 0.000 -3.158) 4.981 11.843 ( 1.126 0.000 -3.918) 4.077 12.082 ( -0.019 0.000 6.786) 6.786 12.129 ( -0.704 0.000 -3.191) 3.268 12.302 ( 5.381 0.000 1.235) 5.521 12.347 ( 2.790 0.000 -1.050) 2.981 12.413 ( 4.416 0.000 5.285) 6.887 12.535 ( -5.388 0.000 0.178) 5.391 12.771 ( 12.757 0.000 1.684) 12.868 12.862 ( 1.226 0.000 -0.275) 1.257 12.977 ( 3.072 0.000 -6.956) 7.604 13.012 ( -6.344 0.000 4.666) 7.875 13.030 ( -2.436 0.000 -1.040) 2.648 13.050 ( -3.338 0.000 3.030) 4.508 13.093 ( -4.323 0.000 3.189) 5.372 13.194 ( -7.056 0.000 -10.788) 12.891 13.664 ( 1.715 0.000 5.066) 5.349 13.715 ( 0.612 0.000 -4.152) 4.197 14.019 ( 1.431 0.000 1.220) 1.880 14.029 ( -0.079 0.000 2.870) 2.872 14.286 ( 0.074 0.000 -1.440) 1.442 14.289 ( -0.916 0.000 -0.408) 1.003 14.365 ( 6.165 0.000 -1.236) 6.288 14.447 ( -2.327 0.000 2.897) 3.716 14.740 ( 2.581 0.000 -1.131) 2.818 14.748 ( 2.221 0.000 0.978) 2.427 14.958 ( -0.325 0.000 -0.925) 0.980 15.033 ( -8.060 0.000 -0.154) 8.062 15.425 ( 4.666 0.000 0.734) 4.724 15.538 ( -5.948 0.000 -1.792) 6.212 15.872 ( 4.274 0.000 5.321) 6.825 16.021 ( -6.701 0.000 -4.059) 7.834 ======================= Grid point 136 (62/76) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -5.693 -3.798 -11.711) 13.564 0.405 ( 5.693 -3.798 11.711) 13.564 0.555 ( 2.191 3.793 -7.590) 8.763 0.555 ( -2.191 3.793 7.590) 8.763 0.961 ( -0.854 4.387 -1.144) 4.614 0.961 ( 0.854 4.387 1.144) 4.614 1.143 ( -0.441 2.121 -0.868) 2.334 1.143 ( 0.441 2.121 0.868) 2.334 1.200 ( -0.710 -2.493 -1.526) 3.008 1.200 ( 0.710 -2.493 1.526) 3.008 1.293 ( 0.087 1.233 -3.670) 3.872 1.293 ( -0.087 1.233 3.670) 3.872 1.393 ( -0.763 -5.016 -2.824) 5.807 1.393 ( 0.763 -5.016 2.824) 5.807 1.472 ( -1.341 -0.633 -1.374) 2.022 1.472 ( 1.341 -0.633 1.374) 2.022 1.512 ( 2.028 -1.254 -3.483) 4.221 1.512 ( -2.028 -1.254 3.483) 4.221 1.593 ( -0.398 -0.026 -1.166) 1.232 1.593 ( 0.398 -0.026 1.166) 1.232 1.682 ( -1.157 -0.530 -1.474) 1.947 1.682 ( 1.157 -0.530 1.474) 1.947 1.820 ( 1.448 1.980 -2.343) 3.392 1.820 ( -1.448 1.980 2.343) 3.392 1.946 ( 0.387 0.942 -3.046) 3.212 1.946 ( -0.387 0.942 3.046) 3.212 2.046 ( -1.171 -3.542 -3.399) 5.047 2.046 ( 1.171 -3.542 3.399) 5.047 2.097 ( 0.149 -0.319 -1.597) 1.636 2.097 ( -0.149 -0.319 1.597) 1.636 2.171 ( -0.159 5.102 -1.507) 5.322 2.171 ( 0.159 5.102 1.507) 5.322 2.281 ( -1.358 -4.894 -4.029) 6.483 2.281 ( 1.358 -4.894 4.029) 6.483 2.346 ( -1.466 1.594 -2.922) 3.637 2.346 ( 1.466 1.594 2.922) 3.637 2.437 ( 1.009 0.435 -2.895) 3.097 2.437 ( -1.009 0.435 2.895) 3.097 2.546 ( -0.525 -2.380 -0.071) 2.439 2.546 ( 0.525 -2.380 0.071) 2.439 2.598 ( 1.160 -2.171 -1.773) 3.033 2.598 ( -1.160 -2.171 1.773) 3.033 2.639 ( -2.010 1.486 -0.083) 2.501 2.639 ( 2.010 1.486 0.083) 2.501 2.706 ( -1.123 1.386 -1.301) 2.207 2.706 ( 1.123 1.386 1.301) 2.207 2.832 ( -1.378 -1.142 0.002) 1.790 2.832 ( 1.378 -1.142 -0.002) 1.790 2.929 ( -1.939 5.051 -2.019) 5.774 2.929 ( 1.939 5.051 2.019) 5.774 3.020 ( -1.423 1.571 -2.603) 3.357 3.020 ( 1.423 1.571 2.603) 3.357 3.162 ( -0.639 -1.584 -0.709) 1.849 3.162 ( 0.639 -1.584 0.709) 1.849 3.228 ( 1.448 -2.960 -3.225) 4.611 3.228 ( -1.448 -2.960 3.225) 4.611 3.424 ( -0.316 1.581 -2.800) 3.231 3.424 ( 0.316 1.581 2.800) 3.231 3.670 ( -4.835 1.083 -4.834) 6.922 3.670 ( 4.835 1.083 4.834) 6.922 3.852 ( 1.998 -3.679 -3.516) 5.467 3.852 ( -1.998 -3.679 3.516) 5.467 3.906 ( 1.371 -4.745 -2.476) 5.525 3.906 ( -1.371 -4.745 2.476) 5.525 4.361 ( -1.894 2.890 -3.950) 5.248 4.361 ( 1.894 2.890 3.950) 5.248 4.825 ( -0.812 -0.964 -0.811) 1.498 4.825 ( 0.812 -0.964 0.811) 1.498 5.461 ( 0.061 -2.662 -3.954) 4.766 5.461 ( -0.061 -2.662 3.954) 4.766 5.627 ( -1.143 1.346 -1.295) 2.190 5.627 ( 1.143 1.346 1.295) 2.190 7.078 ( 0.417 -2.140 -4.996) 5.451 7.078 ( -0.417 -2.140 4.996) 5.451 7.948 ( -3.961 -3.514 -1.459) 5.493 7.948 ( 3.961 -3.514 1.459) 5.493 8.767 ( -0.288 7.592 -4.966) 9.076 8.767 ( 0.288 7.592 4.966) 9.076 9.590 ( -0.934 -3.405 -11.505) 12.035 9.590 ( 0.934 -3.405 11.505) 12.035 10.228 ( 3.295 -0.981 -9.668) 10.261 10.228 ( -3.295 -0.981 9.668) 10.261 10.280 ( 1.965 0.009 -6.108) 6.416 10.280 ( -1.965 0.009 6.108) 6.416 10.759 ( 3.687 0.357 -6.573) 7.545 10.759 ( -3.687 0.357 6.573) 7.545 11.163 ( 0.911 -0.413 -1.942) 2.184 11.163 ( -0.911 -0.413 1.942) 2.184 11.492 ( -0.449 3.001 -2.718) 4.074 11.492 ( 0.449 3.001 2.718) 4.074 11.894 ( 2.295 2.476 -6.194) 7.055 11.894 ( -2.295 2.476 6.194) 7.055 12.120 ( -4.946 -7.426 -9.154) 12.783 12.120 ( 4.946 -7.426 9.154) 12.783 12.480 ( -3.361 1.746 -5.682) 6.829 12.480 ( 3.361 1.746 5.682) 6.829 12.506 ( -0.066 6.749 -2.676) 7.260 12.506 ( 0.066 6.749 2.676) 7.260 13.035 ( -1.298 -1.617 -0.936) 2.275 13.035 ( 1.298 -1.617 0.936) 2.275 13.339 ( -5.935 -4.433 -1.732) 7.608 13.339 ( 5.935 -4.433 1.732) 7.608 13.566 ( -5.318 -5.251 -3.987) 8.471 13.566 ( 5.318 -5.251 3.987) 8.471 13.661 ( -2.425 3.802 -1.279) 4.687 13.661 ( 2.425 3.802 1.279) 4.687 13.942 ( 0.717 -3.400 -4.970) 6.064 13.942 ( -0.717 -3.400 4.970) 6.064 14.183 ( -3.945 2.084 -1.802) 4.812 14.183 ( 3.945 2.084 1.802) 4.812 14.246 ( -0.677 0.804 -1.816) 2.098 14.246 ( 0.677 0.804 1.816) 2.098 14.541 ( -0.356 3.784 -3.233) 4.990 14.541 ( 0.356 3.784 3.233) 4.990 15.164 ( -4.042 -5.349 -7.161) 9.809 15.164 ( 4.042 -5.349 7.161) 9.809 15.507 ( -0.350 -3.432 -2.705) 4.384 15.507 ( 0.350 -3.432 2.705) 4.384 16.354 ( -3.537 10.577 -6.372) 12.844 16.354 ( 3.537 10.577 6.372) 12.844 ======================= Grid point 138 (63/76) ======================= q-point: ( 0.11 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 6.676 0.211 -6.704) 9.463 0.562 ( 6.569 5.252 -8.157) 11.716 0.650 ( 5.888 1.377 10.082) 11.756 0.677 ( 7.676 -0.650 8.193) 11.246 0.994 ( 6.391 1.151 -3.092) 7.192 1.039 ( 5.034 3.547 -1.414) 6.318 1.144 ( 2.298 -5.601 -2.157) 6.427 1.171 ( 6.025 4.292 -2.990) 7.979 1.223 ( 2.905 -2.231 -0.626) 3.716 1.236 ( 0.758 -2.045 0.797) 2.322 1.267 ( 2.729 -2.565 -5.902) 6.990 1.345 ( 3.407 0.201 0.395) 3.436 1.394 ( 2.167 -2.382 0.627) 3.281 1.427 ( 0.605 -2.216 0.352) 2.324 1.467 ( 2.772 0.732 0.458) 2.903 1.508 ( 2.529 -1.948 -0.460) 3.225 1.525 ( 0.214 -0.022 2.229) 2.239 1.565 ( 1.781 -2.095 -0.155) 2.754 1.570 ( 1.828 -0.565 0.652) 2.021 1.649 ( 2.438 -0.891 0.689) 2.685 1.659 ( -0.395 -0.377 -0.462) 0.715 1.743 ( 3.221 0.942 2.845) 4.400 1.802 ( -1.376 2.590 0.868) 3.059 1.835 ( 1.047 -0.320 -1.558) 1.904 1.909 ( -0.793 -1.969 -3.255) 3.886 1.954 ( -0.508 1.688 1.612) 2.389 2.025 ( 0.782 -0.970 -0.224) 1.266 2.075 ( -0.840 -2.137 2.694) 3.540 2.107 ( -0.274 2.541 2.124) 3.323 2.127 ( 0.031 -1.233 -0.781) 1.460 2.149 ( 0.750 -0.891 1.676) 2.041 2.190 ( 0.699 3.517 -0.040) 3.586 2.216 ( -0.309 -3.499 -3.402) 4.891 2.290 ( -2.582 1.876 -1.277) 3.438 2.326 ( 0.860 -3.476 0.159) 3.585 2.384 ( -0.796 -0.863 1.510) 1.912 2.394 ( -3.145 0.510 -1.338) 3.456 2.435 ( -1.116 2.563 3.469) 4.455 2.518 ( -3.461 -0.226 0.145) 3.471 2.540 ( -3.028 -1.548 -0.284) 3.412 2.558 ( 0.477 -3.863 0.040) 3.893 2.583 ( -1.820 -1.140 0.479) 2.200 2.629 ( -0.271 1.461 1.524) 2.128 2.665 ( -0.180 -0.018 -1.938) 1.947 2.681 ( -0.200 -1.687 -0.380) 1.741 2.736 ( -0.146 1.311 -0.248) 1.342 2.785 ( -1.873 2.569 -1.100) 3.364 2.864 ( 3.383 2.970 -0.035) 4.502 2.910 ( -0.163 -1.295 2.162) 2.525 2.925 ( -3.889 2.641 -2.004) 5.110 2.992 ( -2.960 0.822 2.025) 3.680 3.051 ( 3.083 3.682 2.667) 5.493 3.160 ( 0.606 -0.435 -3.869) 3.940 3.207 ( 2.939 -4.609 -1.261) 5.610 3.223 ( 0.020 -0.553 2.930) 2.982 3.252 ( 2.411 -0.486 -0.843) 2.599 3.384 ( -1.260 1.067 -2.468) 2.969 3.442 ( -0.972 1.394 1.979) 2.609 3.570 ( -1.597 -4.729 -2.364) 5.523 3.790 ( 2.110 4.443 4.268) 6.512 3.824 ( -1.567 -1.374 1.013) 2.317 3.862 ( -2.953 -3.820 0.593) 4.865 3.912 ( 4.010 -0.726 1.178) 4.242 3.928 ( 3.191 -5.147 -3.623) 7.057 4.294 ( -1.192 2.002 -3.342) 4.074 4.421 ( 1.513 1.526 2.100) 3.005 4.787 ( -2.579 -2.841 0.694) 3.899 4.870 ( 1.993 0.842 1.117) 2.435 5.363 ( -5.945 -2.580 -4.489) 7.884 5.440 ( -4.628 -1.752 1.384) 5.138 5.547 ( -5.531 0.241 0.756) 5.588 5.618 ( -3.418 2.511 0.723) 4.303 7.054 ( 1.704 -1.779 -4.467) 5.101 7.127 ( 1.483 -2.228 3.195) 4.168 7.892 ( -1.976 0.534 2.031) 2.884 8.054 ( 3.495 -8.166 3.367) 9.499 8.712 ( -0.828 9.497 -4.565) 10.570 8.793 ( -0.490 5.541 1.157) 5.681 9.456 ( -2.605 -1.365 -10.417) 10.824 9.643 ( -4.795 -5.352 5.734) 9.193 10.168 ( 0.004 0.352 -9.371) 9.378 10.204 ( -2.802 -2.714 2.316) 4.537 10.262 ( -0.773 1.154 -1.667) 2.170 10.327 ( -0.940 2.685 9.681) 10.090 10.691 ( -4.862 -0.085 2.205) 5.340 10.786 ( 2.436 1.777 -4.187) 5.160 11.110 ( -4.018 1.096 -0.556) 4.202 11.185 ( 0.889 -1.033 1.369) 1.931 11.598 ( 9.040 -1.688 4.901) 10.421 11.611 ( 6.534 3.812 4.648) 8.878 11.789 ( -4.108 3.285 1.506) 5.471 11.891 ( -0.377 -3.970 -12.656) 13.269 12.060 ( 5.035 -3.349 -3.086) 6.789 12.247 ( 2.325 -2.109 -0.032) 3.140 12.360 ( -5.132 3.873 0.509) 6.449 12.451 ( -1.144 8.948 -1.726) 9.185 12.575 ( 0.628 -1.628 2.258) 2.854 12.610 ( 5.883 2.720 5.415) 8.445 13.007 ( -0.724 -0.020 0.965) 1.207 13.068 ( 2.572 -1.506 -2.604) 3.958 13.147 ( -8.639 -6.595 -4.301) 11.689 13.343 ( -4.256 0.034 -1.916) 4.668 13.488 ( 0.192 1.021 0.465) 1.138 13.625 ( -1.931 -2.964 -0.646) 3.596 13.650 ( 0.177 0.085 6.251) 6.255 13.747 ( 2.540 1.458 1.290) 3.200 13.869 ( -3.772 -0.260 -3.224) 4.969 13.931 ( -1.080 -2.126 -2.370) 3.362 14.122 ( 0.230 -1.976 0.982) 2.219 14.220 ( -0.004 2.935 0.528) 2.982 14.263 ( 3.275 -2.467 -2.419) 4.761 14.358 ( 6.446 0.362 -0.219) 6.460 14.518 ( 1.733 4.404 -0.478) 4.757 14.603 ( 2.136 3.221 2.172) 4.434 15.055 ( -1.513 -6.209 -4.145) 7.617 15.288 ( 0.517 -8.239 2.016) 8.498 15.465 ( -2.423 -4.225 0.233) 4.876 15.535 ( -1.763 -1.258 8.978) 9.235 16.195 ( -6.339 12.827 -6.751) 15.820 16.418 ( -1.993 7.687 4.658) 9.206 ======================= Grid point 139 (64/76) ======================= q-point: ( 0.22 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 10.202 2.898 1.266) 10.681 0.630 ( 9.136 6.333 -6.419) 12.836 0.866 ( 7.057 0.113 9.624) 11.935 0.903 ( 8.704 -3.197 5.809) 10.942 1.060 ( 1.744 -5.298 -2.204) 5.997 1.104 ( 4.083 -1.086 -1.254) 4.407 1.171 ( 2.305 -3.640 -2.911) 5.200 1.223 ( -1.023 -4.110 0.515) 4.267 1.273 ( 2.233 -2.787 -0.336) 3.587 1.334 ( 8.972 -4.258 -0.691) 9.955 1.356 ( 6.085 -0.952 -1.047) 6.247 1.395 ( 5.024 0.813 -1.593) 5.333 1.467 ( 7.850 2.308 -2.892) 8.678 1.477 ( 2.077 0.168 -0.255) 2.100 1.521 ( -0.796 -0.175 0.843) 1.172 1.548 ( 1.939 -2.312 2.137) 3.697 1.572 ( 6.283 -0.928 0.380) 6.362 1.618 ( 4.193 -1.288 0.450) 4.409 1.638 ( 3.050 -0.772 -2.488) 4.012 1.665 ( 2.774 -0.767 -0.192) 2.884 1.707 ( 3.228 -2.368 0.749) 4.072 1.781 ( 0.132 1.971 -1.073) 2.248 1.830 ( 1.203 0.928 -0.796) 1.715 1.845 ( 4.751 0.336 0.001) 4.763 1.878 ( -0.381 -2.308 -0.691) 2.439 1.955 ( -0.199 1.414 0.216) 1.444 2.040 ( 0.097 -0.389 -0.193) 0.444 2.082 ( -1.422 2.427 2.361) 3.673 2.101 ( -0.444 -1.120 0.893) 1.499 2.112 ( -0.930 -4.288 -0.361) 4.403 2.161 ( 0.402 0.330 -0.577) 0.777 2.208 ( -0.848 2.621 -0.943) 2.912 2.218 ( -1.404 2.076 0.085) 2.508 2.245 ( 1.137 -5.313 1.512) 5.640 2.299 ( -2.805 -3.158 -1.641) 4.531 2.323 ( -1.728 -0.723 -0.088) 1.876 2.354 ( -2.370 -0.047 0.392) 2.402 2.432 ( -4.645 -0.281 0.732) 4.710 2.466 ( -2.393 -1.387 -1.018) 2.947 2.479 ( 0.441 1.309 2.253) 2.643 2.537 ( -2.238 0.166 -0.543) 2.309 2.576 ( 0.341 -2.275 -0.271) 2.317 2.591 ( -4.072 -2.124 -0.397) 4.610 2.652 ( 0.560 2.870 1.142) 3.139 2.684 ( -0.007 -0.925 -1.065) 1.410 2.716 ( -0.427 -1.024 1.108) 1.568 2.753 ( -2.128 1.720 -0.446) 2.772 2.843 ( -3.133 0.665 -0.926) 3.334 2.885 ( -4.802 -4.508 -2.049) 6.897 2.934 ( -0.133 5.868 -0.270) 5.876 2.946 ( 1.175 4.842 4.274) 6.564 3.097 ( -0.919 2.905 -2.782) 4.126 3.143 ( 0.458 0.574 1.424) 1.602 3.217 ( -1.586 0.863 1.111) 2.120 3.274 ( 5.023 -5.822 -0.457) 7.703 3.317 ( 1.843 -0.925 -1.505) 2.553 3.372 ( 3.046 3.772 1.407) 5.048 3.429 ( -0.679 -2.606 1.143) 2.926 3.559 ( 1.171 -3.185 -1.114) 3.572 3.801 ( -3.760 -0.636 2.865) 4.769 3.810 ( -0.640 -1.137 -0.356) 1.352 3.834 ( -0.263 3.311 1.391) 3.601 3.937 ( 1.190 -7.114 -0.331) 7.220 4.027 ( 5.721 10.751 -3.208) 12.594 4.285 ( 1.816 -2.420 1.571) 3.410 4.452 ( 0.375 0.527 0.709) 0.960 4.724 ( -4.678 -5.900 0.326) 7.537 4.897 ( -0.744 4.177 -0.422) 4.264 5.187 ( -7.227 -3.188 -3.689) 8.718 5.329 ( -7.362 -0.840 0.662) 7.439 5.464 ( -4.254 -0.639 2.347) 4.901 5.530 ( -5.511 3.371 0.228) 6.464 7.066 ( 3.108 -2.018 -3.394) 5.025 7.179 ( 1.221 -1.998 2.396) 3.350 7.897 ( -0.433 2.979 3.697) 4.768 8.098 ( -0.902 -8.922 0.881) 9.011 8.659 ( -1.612 10.414 -2.570) 10.847 8.776 ( -0.679 3.664 -1.745) 4.115 9.326 ( -2.460 0.276 -7.972) 8.347 9.519 ( -6.559 -4.247 -4.222) 8.882 10.084 ( -2.058 2.650 -4.638) 5.725 10.210 ( 1.234 -0.554 -1.886) 2.321 10.231 ( -1.782 0.550 4.247) 4.638 10.394 ( -0.412 3.203 7.780) 8.424 10.640 ( -2.879 0.907 4.052) 5.053 10.781 ( 1.730 4.785 -6.711) 8.422 11.043 ( -2.376 -1.392 1.228) 3.015 11.207 ( -0.096 -1.362 1.371) 1.935 11.674 ( 2.299 -3.822 -6.787) 8.121 11.775 ( 3.580 -2.998 -3.381) 5.765 11.850 ( 4.699 0.727 3.578) 5.951 11.922 ( 11.775 -0.079 7.798) 14.124 12.117 ( 3.756 -2.232 -4.594) 6.340 12.244 ( 1.628 4.883 -4.437) 6.795 12.318 ( -0.799 2.232 4.055) 4.697 12.423 ( 0.239 8.040 -0.697) 8.073 12.611 ( 1.386 -0.838 1.912) 2.506 12.785 ( 6.617 -0.420 3.297) 7.404 12.988 ( -3.567 -5.734 0.967) 6.822 13.024 ( -1.077 0.078 0.361) 1.139 13.090 ( 2.354 2.400 -4.503) 5.620 13.247 ( -3.518 3.827 -2.070) 5.595 13.480 ( -2.952 -4.369 2.881) 6.009 13.539 ( -6.694 1.641 -3.612) 7.781 13.621 ( -5.664 -1.714 -3.185) 6.720 13.762 ( -1.279 3.347 1.640) 3.941 13.797 ( 0.278 -4.775 2.070) 5.212 13.968 ( 3.514 2.255 2.652) 4.947 14.170 ( 2.696 -3.000 1.791) 4.413 14.216 ( -0.387 0.394 0.167) 0.576 14.320 ( 4.652 -3.769 -2.111) 6.349 14.423 ( 1.924 4.601 -1.566) 5.227 14.586 ( 4.415 0.902 -1.048) 4.626 14.675 ( 2.650 3.466 4.425) 6.214 15.023 ( 1.219 -7.813 -3.368) 8.595 15.212 ( -6.229 -5.942 -1.321) 8.709 15.390 ( -5.542 -4.587 -0.514) 7.212 15.593 ( -2.194 -4.858 8.855) 10.336 16.032 ( -5.193 13.214 -4.365) 14.853 16.366 ( -5.981 5.702 1.856) 8.469 ======================= Grid point 140 (65/76) ======================= q-point: ( 0.33 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 8.253 2.563 2.994) 9.146 0.818 ( 12.124 1.244 0.096) 12.188 1.027 ( 2.881 -8.837 1.528) 9.419 1.064 ( 2.061 -1.664 3.003) 4.004 1.093 ( 4.091 -6.031 1.564) 7.454 1.139 ( 0.764 -1.939 -2.368) 3.155 1.197 ( 1.211 -1.136 1.811) 2.457 1.218 ( 2.156 -3.307 -1.293) 4.154 1.313 ( 1.867 -1.549 1.194) 2.704 1.382 ( 1.287 -1.833 0.121) 2.243 1.445 ( -0.648 -4.274 1.340) 4.526 1.456 ( -0.759 0.811 -1.489) 1.857 1.504 ( 3.957 0.034 -1.523) 4.240 1.566 ( 2.968 -3.129 -0.320) 4.324 1.583 ( 5.491 -1.314 0.043) 5.647 1.613 ( 2.364 -3.302 0.086) 4.061 1.631 ( 0.913 0.790 -0.210) 1.226 1.675 ( 2.601 -0.190 -1.820) 3.180 1.707 ( 3.607 -0.685 -0.145) 3.675 1.736 ( 6.059 -2.496 -2.055) 6.868 1.782 ( 3.323 -2.776 -0.600) 4.372 1.823 ( 3.010 2.132 0.033) 3.689 1.853 ( 4.140 -0.731 -1.006) 4.323 1.893 ( 2.630 -1.921 -0.373) 3.278 1.938 ( 3.084 1.523 -0.708) 3.512 1.984 ( 2.630 -0.432 -0.359) 2.689 2.020 ( -0.620 0.917 1.113) 1.570 2.067 ( -1.723 0.054 1.396) 2.218 2.081 ( -1.446 -4.641 -1.531) 5.096 2.100 ( 0.893 2.312 0.715) 2.579 2.150 ( -0.026 -1.916 -0.033) 1.916 2.176 ( -2.462 -0.297 -1.266) 2.784 2.196 ( -0.271 -0.867 0.835) 1.234 2.249 ( -1.639 -3.210 -0.637) 3.660 2.268 ( 0.138 -0.305 -0.038) 0.337 2.314 ( -0.611 -0.742 0.179) 0.978 2.318 ( -1.796 -1.138 -0.411) 2.166 2.372 ( -1.898 -0.118 0.502) 1.966 2.410 ( 0.656 -4.051 -0.917) 4.205 2.483 ( -1.700 -0.466 -0.918) 1.988 2.520 ( -2.855 -1.792 1.756) 3.801 2.553 ( 1.265 1.541 2.621) 3.293 2.563 ( -1.413 -1.585 -0.235) 2.136 2.645 ( -1.556 -1.925 -0.199) 2.483 2.680 ( -3.560 0.756 1.652) 3.997 2.692 ( -0.994 4.018 -1.410) 4.372 2.736 ( 1.009 -1.405 -0.020) 1.730 2.761 ( -4.526 -0.454 -1.862) 4.915 2.792 ( -1.592 0.483 0.352) 1.700 2.896 ( -2.122 4.356 -3.033) 5.717 3.008 ( 1.106 5.689 5.180) 7.773 3.076 ( 2.649 5.431 -3.914) 7.199 3.158 ( -0.760 -0.303 1.741) 1.923 3.179 ( -1.698 1.323 -0.544) 2.221 3.301 ( 0.206 -3.515 -0.438) 3.549 3.343 ( -1.463 -0.645 0.947) 1.859 3.414 ( 2.506 -8.005 -1.381) 8.501 3.495 ( 2.340 2.815 -0.158) 3.664 3.616 ( 6.085 1.446 1.772) 6.501 3.745 ( -3.840 4.234 2.151) 6.107 3.793 ( -0.388 1.751 -1.630) 2.424 3.831 ( -1.725 0.092 2.220) 2.813 3.975 ( 2.131 -6.144 2.484) 6.962 4.062 ( 2.746 11.300 -5.093) 12.695 4.372 ( 3.474 2.375 1.468) 4.457 4.436 ( -3.720 -2.643 2.664) 5.284 4.629 ( -4.821 -8.487 0.449) 9.771 4.800 ( -4.846 7.049 -5.585) 10.216 5.086 ( -2.575 -4.049 0.503) 4.825 5.194 ( -7.130 -0.542 0.873) 7.204 5.422 ( -2.211 0.214 1.286) 2.567 5.443 ( -3.236 1.838 0.613) 3.772 7.109 ( 3.761 -2.835 -2.129) 5.169 7.209 ( -0.137 -2.355 1.941) 3.054 7.927 ( 0.065 3.514 3.510) 4.967 8.057 ( -2.334 -5.298 -1.614) 6.010 8.621 ( -0.167 10.150 -1.162) 10.218 8.740 ( -1.315 3.285 -2.212) 4.173 9.234 ( -1.208 0.499 -4.715) 4.893 9.380 ( -4.406 -3.629 -3.627) 6.763 10.024 ( -1.428 3.827 -0.912) 4.185 10.161 ( -1.562 0.283 -4.995) 5.241 10.293 ( 0.896 0.280 6.940) 7.003 10.432 ( -0.795 1.871 3.542) 4.084 10.646 ( -1.665 3.446 6.046) 7.155 10.738 ( 1.271 6.542 -8.814) 11.050 11.052 ( 0.253 -3.328 4.661) 5.733 11.203 ( -0.891 -2.205 0.043) 2.378 11.677 ( 4.140 -7.167 -6.629) 10.604 11.766 ( 2.145 -7.890 -7.544) 11.125 12.007 ( 2.707 1.584 10.171) 10.643 12.120 ( 2.154 0.037 -2.395) 3.221 12.202 ( 7.402 0.420 3.099) 8.036 12.285 ( 7.555 5.837 -2.301) 9.820 12.403 ( 2.379 3.348 7.391) 8.455 12.467 ( 4.718 1.046 2.787) 5.578 12.644 ( 1.890 3.190 -1.320) 3.936 12.869 ( 2.302 -0.891 -2.161) 3.280 12.948 ( -1.134 -4.797 1.135) 5.059 13.025 ( -0.309 2.894 -0.474) 2.949 13.092 ( 0.334 2.843 -0.989) 3.029 13.169 ( -3.841 3.450 -0.743) 5.216 13.315 ( -10.800 3.410 -4.241) 12.093 13.434 ( -7.594 0.228 -6.315) 9.879 13.493 ( 0.874 -7.993 2.547) 8.434 13.734 ( -2.593 -0.685 2.006) 3.349 13.883 ( 3.668 -3.371 3.212) 5.928 14.036 ( 1.153 1.795 1.507) 2.612 14.214 ( 1.989 -2.208 -1.437) 3.301 14.263 ( 3.443 -0.724 3.696) 5.103 14.377 ( 1.840 -1.291 -2.173) 3.126 14.449 ( 2.678 7.206 0.421) 7.699 14.650 ( 3.371 -2.239 -0.759) 4.117 14.738 ( 0.506 2.216 1.643) 2.804 15.010 ( -1.212 -1.293 -3.335) 3.777 15.106 ( -4.579 -7.776 2.684) 9.415 15.280 ( -2.993 -6.296 -1.633) 7.160 15.570 ( -5.024 -7.784 1.656) 9.411 15.948 ( -1.568 12.634 0.882) 12.762 16.240 ( -7.214 5.088 -0.999) 8.884 ======================= Grid point 141 (66/76) ======================= q-point: ( 0.44 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 7.005 -1.720 5.223) 8.905 0.997 ( -2.249 -4.699 -3.316) 6.175 1.031 ( 5.749 -3.839 0.586) 6.938 1.087 ( -0.348 -3.561 -0.208) 3.584 1.139 ( 1.920 -1.391 -0.172) 2.377 1.157 ( 1.634 -4.010 0.041) 4.331 1.219 ( 1.046 -4.591 1.121) 4.840 1.289 ( 1.007 -1.397 2.619) 3.135 1.329 ( -0.875 0.690 -3.743) 3.906 1.367 ( -2.224 -0.101 -1.531) 2.702 1.407 ( 0.055 -3.572 2.964) 4.642 1.451 ( -1.772 -1.759 0.533) 2.553 1.542 ( 2.007 -0.471 -1.024) 2.302 1.571 ( -0.958 0.759 -1.081) 1.632 1.637 ( 2.154 -1.639 -1.124) 2.931 1.649 ( -0.352 0.133 2.445) 2.474 1.687 ( 4.321 -2.833 -0.148) 5.169 1.718 ( 2.734 -3.087 0.154) 4.127 1.734 ( -1.417 -4.374 1.557) 4.854 1.787 ( -0.773 -2.603 -1.959) 3.348 1.814 ( 4.880 -0.372 -1.984) 5.281 1.881 ( -0.341 1.265 -0.710) 1.490 1.906 ( 0.435 -1.145 0.662) 1.392 1.942 ( 1.771 -4.080 -1.665) 4.749 1.953 ( 1.782 -1.362 -0.345) 2.269 2.010 ( -1.035 -3.088 2.160) 3.908 2.016 ( 0.631 -3.021 0.209) 3.094 2.054 ( -0.513 -2.248 -0.734) 2.420 2.113 ( 3.905 -0.407 -0.133) 3.929 2.132 ( -0.341 0.809 0.191) 0.899 2.136 ( 1.401 0.406 -0.452) 1.528 2.151 ( 0.629 0.109 0.089) 0.645 2.199 ( -1.896 -2.193 0.153) 2.903 2.215 ( 0.616 -1.078 -0.425) 1.313 2.235 ( -3.444 -2.297 -0.270) 4.149 2.267 ( -3.060 -0.038 1.039) 3.232 2.348 ( 3.105 -0.093 0.534) 3.152 2.388 ( 3.187 0.712 -1.983) 3.821 2.420 ( -0.733 -3.632 0.930) 3.820 2.475 ( 2.532 -1.340 -0.138) 2.868 2.479 ( -3.275 -2.412 0.739) 4.134 2.535 ( -1.412 1.161 0.141) 1.833 2.573 ( -1.552 -1.753 1.910) 3.022 2.591 ( -2.904 0.187 -1.727) 3.384 2.624 ( 0.015 -1.431 -0.861) 1.670 2.651 ( -2.751 -0.967 0.076) 2.917 2.716 ( 0.680 4.371 1.221) 4.589 2.748 ( -0.677 3.597 0.358) 3.678 2.802 ( 1.363 1.867 -0.605) 2.389 2.830 ( -1.790 1.540 -1.855) 3.002 3.063 ( 2.046 3.447 -0.075) 4.009 3.111 ( -3.569 2.765 1.114) 4.650 3.150 ( 5.232 1.633 1.790) 5.766 3.192 ( 1.556 -1.549 -0.461) 2.243 3.301 ( -0.601 -2.132 -0.254) 2.229 3.309 ( -1.374 -1.885 -0.053) 2.334 3.422 ( 1.611 -0.753 -3.526) 3.949 3.469 ( -4.867 5.196 1.594) 7.296 3.728 ( 0.049 3.723 2.861) 4.696 3.745 ( 4.934 2.192 -2.434) 5.922 3.770 ( -0.366 1.709 -0.105) 1.751 3.810 ( -2.041 1.389 1.053) 2.684 4.054 ( 2.422 -0.364 3.711) 4.447 4.082 ( 2.745 3.864 -2.558) 5.385 4.337 ( -3.273 -1.367 -0.415) 3.572 4.373 ( -5.231 2.101 -0.910) 5.710 4.620 ( 2.329 -3.382 3.507) 5.400 4.699 ( -2.041 3.822 -3.930) 5.850 5.058 ( -0.032 -2.902 -0.783) 3.006 5.090 ( -4.454 -0.804 1.381) 4.732 5.404 ( 0.182 0.853 -0.473) 0.992 5.414 ( -1.413 -0.242 1.147) 1.836 7.164 ( 3.421 -3.405 -1.512) 5.058 7.204 ( -2.005 -3.147 1.588) 4.056 7.959 ( 0.517 2.126 2.846) 3.590 8.001 ( -1.547 -0.963 -2.492) 3.087 8.638 ( 1.691 8.380 1.155) 8.627 8.690 ( -1.960 5.604 -2.145) 6.313 9.214 ( 1.649 -1.290 -0.570) 2.170 9.278 ( -3.801 -2.787 -2.159) 5.184 10.022 ( 0.830 2.870 1.934) 3.559 10.081 ( -2.297 1.253 -4.042) 4.815 10.367 ( 1.441 0.823 4.857) 5.132 10.422 ( -1.313 1.187 -1.205) 2.142 10.668 ( -1.911 5.036 6.834) 8.702 10.694 ( 1.882 6.089 -8.052) 10.269 11.113 ( 1.371 -3.071 4.824) 5.881 11.172 ( -1.391 -2.616 -2.338) 3.774 11.704 ( 2.791 -10.073 -2.699) 10.796 11.736 ( -0.297 -10.039 -3.142) 10.523 12.099 ( -0.832 1.547 7.562) 7.763 12.123 ( 1.877 1.365 -4.986) 5.500 12.326 ( 5.778 2.096 0.768) 6.194 12.410 ( 0.614 4.785 -1.793) 5.146 12.473 ( 3.291 2.046 6.946) 7.954 12.572 ( -1.697 4.795 1.653) 5.348 12.735 ( 10.281 -2.467 -0.848) 10.607 12.866 ( -2.343 -2.258 -0.035) 3.253 12.963 ( 1.978 -0.180 0.842) 2.157 13.020 ( 3.813 3.369 -7.507) 9.069 13.056 ( -5.077 0.665 1.938) 5.475 13.100 ( -3.195 5.654 1.237) 6.611 13.118 ( -5.807 2.560 3.281) 7.144 13.218 ( -6.699 1.831 -8.143) 10.702 13.586 ( 4.708 -7.016 2.504) 8.812 13.682 ( -4.191 -4.409 0.559) 6.109 13.973 ( 3.613 -2.243 1.384) 4.472 14.034 ( -1.716 -0.612 -0.379) 1.861 14.260 ( 3.301 -0.486 -0.118) 3.338 14.316 ( -1.479 -0.042 -0.195) 1.492 14.401 ( 3.911 3.008 0.742) 4.990 14.479 ( -2.233 3.473 0.610) 4.174 14.715 ( 4.554 -1.870 -0.756) 4.981 14.752 ( 0.510 0.360 0.231) 0.665 14.951 ( -1.263 -1.038 -0.771) 1.808 15.005 ( -6.785 -2.908 0.379) 7.391 15.319 ( 5.597 -8.431 1.399) 10.215 15.453 ( -6.378 -7.511 -1.845) 10.025 15.982 ( 2.638 9.051 3.548) 10.073 16.094 ( -5.859 6.183 -3.044) 9.046 ======================= Grid point 146 (67/76) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -2.302 6.442 -6.852) 9.682 0.443 ( 2.302 6.442 6.852) 9.682 0.589 ( 1.542 -0.684 -5.196) 5.463 0.589 ( -1.542 -0.684 5.196) 5.463 0.945 ( 0.037 -4.296 -2.803) 5.129 0.945 ( -0.037 -4.296 2.803) 5.129 1.113 ( -1.874 -2.641 -1.939) 3.775 1.113 ( 1.874 -2.641 1.939) 3.775 1.166 ( -0.595 -2.204 -1.002) 2.493 1.166 ( 0.595 -2.204 1.002) 2.493 1.225 ( -0.698 -5.984 -2.722) 6.611 1.225 ( 0.698 -5.984 2.722) 6.611 1.428 ( -1.645 4.611 -1.377) 5.086 1.428 ( 1.645 4.611 1.377) 5.086 1.475 ( -1.125 0.323 -1.457) 1.869 1.475 ( 1.125 0.323 1.457) 1.869 1.534 ( 1.597 3.488 -1.789) 4.232 1.534 ( -1.597 3.488 1.789) 4.232 1.597 ( -1.149 -0.351 -0.534) 1.315 1.597 ( 1.149 -0.351 0.534) 1.315 1.724 ( -0.706 5.402 -3.816) 6.652 1.724 ( 0.706 5.402 3.816) 6.652 1.842 ( 0.800 1.618 -2.657) 3.212 1.842 ( -0.800 1.618 2.657) 3.212 1.962 ( -1.989 -1.783 -3.583) 4.469 1.962 ( 1.989 -1.783 3.583) 4.469 1.997 ( 0.689 0.671 -3.182) 3.324 1.997 ( -0.689 0.671 3.182) 3.324 2.091 ( -0.831 -0.694 -1.327) 1.713 2.091 ( 0.831 -0.694 1.327) 1.713 2.163 ( -0.765 -5.912 -4.977) 7.766 2.163 ( 0.765 -5.912 4.977) 7.766 2.263 ( 0.388 3.663 -2.188) 4.284 2.263 ( -0.388 3.663 2.188) 4.284 2.373 ( -1.474 -0.365 -1.204) 1.938 2.373 ( 1.474 -0.365 1.204) 1.938 2.412 ( 0.203 -1.992 -3.065) 3.661 2.412 ( -0.203 -1.992 3.065) 3.661 2.496 ( -0.462 -1.952 -1.323) 2.403 2.496 ( 0.462 -1.952 1.323) 2.403 2.603 ( -0.089 1.398 -2.013) 2.453 2.603 ( 0.089 1.398 2.013) 2.453 2.642 ( -0.082 -0.411 -0.197) 0.463 2.642 ( 0.082 -0.411 0.197) 0.463 2.725 ( -1.387 -1.205 -1.971) 2.694 2.725 ( 1.387 -1.205 1.971) 2.694 2.830 ( -2.782 2.484 -1.513) 4.025 2.830 ( 2.782 2.484 1.513) 4.025 2.994 ( -1.219 0.815 -0.685) 1.618 2.994 ( 1.219 0.815 0.685) 1.618 3.037 ( -0.240 0.244 -1.656) 1.691 3.037 ( 0.240 0.244 1.656) 1.691 3.133 ( -3.306 -1.053 -3.917) 5.233 3.133 ( 3.306 -1.053 3.917) 5.233 3.204 ( -1.418 0.926 -1.693) 2.395 3.204 ( 1.418 0.926 1.693) 2.395 3.449 ( -0.768 1.157 -2.711) 3.046 3.449 ( 0.768 1.157 2.711) 3.046 3.620 ( -4.441 -4.227 -6.318) 8.803 3.620 ( 4.441 -4.227 6.318) 8.803 3.748 ( 0.070 -5.123 -3.544) 6.230 3.748 ( -0.070 -5.123 3.544) 6.230 3.946 ( -0.210 4.141 -1.299) 4.345 3.946 ( 0.210 4.141 1.299) 4.345 4.368 ( -1.235 -0.575 -3.146) 3.428 4.368 ( 1.235 -0.575 3.146) 3.428 4.794 ( -0.155 -2.317 -2.494) 3.408 4.794 ( 0.155 -2.317 2.494) 3.408 5.468 ( -0.200 3.125 -5.061) 5.951 5.468 ( 0.200 3.125 5.061) 5.951 5.618 ( -1.657 -2.225 -2.609) 3.809 5.618 ( 1.657 -2.225 2.609) 3.809 7.042 ( 0.202 -1.382 -2.702) 3.042 7.042 ( -0.202 -1.382 2.702) 3.042 7.883 ( -0.609 -2.896 -0.449) 2.993 7.883 ( 0.609 -2.896 0.449) 2.993 8.904 ( 0.180 5.877 -2.793) 6.509 8.904 ( -0.180 5.877 2.793) 6.509 9.513 ( -0.741 -3.980 -5.383) 6.735 9.513 ( 0.741 -3.980 5.383) 6.735 10.231 ( 2.116 1.393 -4.241) 4.941 10.231 ( -2.116 1.393 4.241) 4.941 10.285 ( 0.057 0.147 -4.724) 4.727 10.285 ( -0.057 0.147 4.724) 4.727 10.749 ( 3.187 -1.280 -5.454) 6.445 10.749 ( -3.187 -1.280 5.454) 6.445 11.162 ( -0.335 0.478 -0.184) 0.612 11.162 ( 0.335 0.478 0.184) 0.612 11.572 ( -3.296 5.114 -3.399) 6.969 11.572 ( 3.296 5.114 3.399) 6.969 11.871 ( -3.476 -5.219 -6.049) 8.713 11.871 ( 3.476 -5.219 6.049) 8.713 12.109 ( -6.881 5.882 -4.404) 10.067 12.109 ( 6.881 5.882 4.404) 10.067 12.499 ( -4.752 -2.512 1.042) 5.475 12.499 ( 4.752 -2.512 -1.042) 5.475 12.584 ( 0.552 4.133 -2.745) 4.992 12.584 ( -0.552 4.133 2.745) 4.992 12.977 ( -0.433 -4.620 -0.686) 4.690 12.977 ( 0.433 -4.620 0.686) 4.690 13.228 ( -4.381 -5.513 -4.406) 8.306 13.228 ( 4.381 -5.513 4.406) 8.306 13.507 ( -1.089 0.644 -1.955) 2.329 13.507 ( 1.089 0.644 1.955) 2.329 13.783 ( 0.672 5.947 -1.674) 6.215 13.783 ( -0.672 5.947 1.674) 6.215 13.860 ( 0.529 -4.414 -6.499) 7.874 13.860 ( -0.529 -4.414 6.499) 7.874 14.181 ( -4.295 -1.148 -0.954) 4.547 14.181 ( 4.295 -1.148 0.954) 4.547 14.318 ( -0.379 4.053 -1.345) 4.287 14.318 ( 0.379 4.053 1.345) 4.287 14.598 ( 0.863 3.500 -6.604) 7.524 14.598 ( -0.863 3.500 6.604) 7.524 15.030 ( -2.943 -8.328 -3.395) 9.463 15.030 ( 2.943 -8.328 3.395) 9.463 15.445 ( -0.161 -2.513 -4.478) 5.137 15.445 ( 0.161 -2.513 4.478) 5.137 16.544 ( -2.013 8.005 -2.099) 8.517 16.544 ( 2.013 8.005 2.099) 8.517 ======================= Grid point 148 (68/76) ======================= q-point: ( 0.11 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 5.182 9.701 -0.639) 11.016 0.603 ( 6.205 1.147 6.722) 9.220 0.660 ( 7.191 -0.451 1.899) 7.452 0.691 ( 6.902 -1.525 0.845) 7.119 0.948 ( 2.956 -2.708 -2.421) 4.683 1.009 ( 4.151 -7.162 1.040) 8.343 1.052 ( -1.535 -1.837 -3.120) 3.932 1.140 ( 0.942 -1.637 -1.879) 2.665 1.183 ( 1.802 -2.451 1.028) 3.211 1.203 ( 1.530 -1.382 -2.079) 2.928 1.232 ( 4.361 -5.365 0.252) 6.918 1.292 ( 3.756 -7.355 2.436) 8.611 1.388 ( -1.139 2.203 1.052) 2.694 1.447 ( 1.409 4.388 -0.795) 4.677 1.484 ( 1.403 -0.564 -0.396) 1.564 1.512 ( 0.824 0.754 0.907) 1.439 1.546 ( 1.523 3.530 0.051) 3.845 1.563 ( 1.554 2.560 0.139) 2.998 1.588 ( 4.152 3.020 -0.604) 5.169 1.643 ( 1.897 -0.962 0.831) 2.283 1.695 ( 0.958 5.444 -3.810) 6.714 1.778 ( 1.247 1.573 2.481) 3.192 1.832 ( 0.597 0.228 -2.940) 3.009 1.853 ( 0.570 3.156 0.755) 3.294 1.883 ( -1.999 0.423 -2.811) 3.476 1.961 ( -1.639 -5.589 -2.933) 6.521 2.002 ( 1.639 0.120 -1.641) 2.322 2.017 ( -0.123 -0.302 2.767) 2.786 2.091 ( 0.075 -0.766 0.665) 1.017 2.128 ( 1.146 -0.388 1.948) 2.293 2.136 ( 1.428 -1.767 -0.771) 2.399 2.210 ( 0.376 -5.380 1.731) 5.664 2.233 ( -1.188 3.433 -1.949) 4.122 2.266 ( -0.903 2.340 1.086) 2.734 2.322 ( -2.949 0.528 -0.579) 3.051 2.372 ( -2.011 -2.417 -0.350) 3.164 2.391 ( -0.914 -1.287 -1.168) 1.963 2.447 ( -0.040 0.784 2.344) 2.472 2.471 ( -0.508 -4.547 1.525) 4.823 2.501 ( -2.203 -0.719 1.307) 2.660 2.535 ( -4.820 0.653 -1.265) 5.026 2.596 ( -1.669 1.223 0.388) 2.105 2.618 ( -2.179 -0.735 1.745) 2.887 2.648 ( 0.410 -1.157 -0.625) 1.378 2.697 ( 1.110 1.143 -0.949) 1.854 2.725 ( -2.986 -2.370 -0.481) 3.842 2.797 ( -0.923 -1.673 0.219) 1.923 2.867 ( -2.619 -3.112 1.064) 4.205 2.900 ( -2.627 1.772 -0.876) 3.288 2.999 ( 3.724 4.546 -1.791) 6.143 3.031 ( -1.869 2.144 -1.211) 3.091 3.090 ( 2.385 -4.204 -1.381) 5.027 3.121 ( 0.854 2.563 5.338) 5.983 3.165 ( -0.311 1.776 -2.502) 3.084 3.234 ( 0.828 -0.882 -0.091) 1.213 3.269 ( 7.058 3.591 2.086) 8.189 3.409 ( -0.520 1.518 -1.287) 2.057 3.485 ( -4.254 -0.504 -2.930) 5.190 3.505 ( 2.474 2.084 1.309) 3.489 3.709 ( -0.331 -7.208 0.660) 7.245 3.742 ( 0.143 -5.310 4.352) 6.867 3.797 ( 1.469 -4.612 3.004) 5.697 3.941 ( 1.176 3.941 -2.396) 4.760 3.996 ( 4.729 3.337 1.625) 6.011 4.306 ( -1.076 1.702 -5.472) 5.831 4.405 ( 1.104 -2.457 0.587) 2.757 4.745 ( -3.165 -1.257 -0.035) 3.405 4.847 ( 2.085 -3.584 2.042) 4.622 5.366 ( -5.507 3.206 -5.354) 8.323 5.464 ( -5.119 3.226 4.421) 7.493 5.530 ( -4.532 -1.918 -1.968) 5.300 5.623 ( -3.136 -1.792 2.167) 4.212 7.033 ( 1.318 -0.361 -2.559) 2.901 7.078 ( 1.766 -2.591 1.316) 3.401 7.886 ( 0.576 -0.897 2.248) 2.488 7.930 ( 2.375 -4.651 1.261) 5.372 8.870 ( -0.138 6.713 -4.444) 8.052 8.903 ( -0.500 4.949 -1.695) 5.255 9.428 ( -2.655 -1.101 -5.685) 6.371 9.524 ( -3.104 -6.279 0.836) 7.054 10.178 ( -0.391 0.590 -5.981) 6.023 10.184 ( -0.621 0.066 -0.806) 1.020 10.305 ( -2.586 3.446 6.124) 7.488 10.374 ( 0.126 1.778 10.399) 10.551 10.684 ( -4.019 -0.195 1.315) 4.233 10.775 ( 2.646 -2.970 -2.497) 4.696 11.158 ( -0.162 3.257 -5.020) 5.987 11.182 ( 1.955 1.156 -1.071) 2.511 11.563 ( 3.093 -0.774 1.265) 3.430 11.676 ( 3.796 -0.391 -1.640) 4.154 11.786 ( 1.678 -0.278 -2.384) 2.928 11.939 ( -5.101 8.546 -0.944) 9.997 11.997 ( 4.494 -3.968 2.223) 6.394 12.255 ( 3.249 1.072 1.626) 3.788 12.406 ( -3.996 0.644 0.964) 4.161 12.539 ( 0.931 -1.679 -3.639) 4.114 12.588 ( 0.562 4.462 2.198) 5.006 12.638 ( 2.970 1.080 3.904) 5.023 12.956 ( -1.969 -4.457 1.027) 4.979 13.006 ( 1.477 -3.986 -0.581) 4.290 13.101 ( -0.775 1.183 -6.012) 6.176 13.277 ( -0.118 -6.636 -1.203) 6.745 13.490 ( -0.898 0.218 -0.286) 0.967 13.569 ( 1.301 0.261 4.183) 4.388 13.740 ( -1.772 -0.597 -7.717) 7.941 13.757 ( -1.901 5.703 2.169) 6.391 13.862 ( -1.180 -1.821 1.708) 2.762 13.902 ( 1.579 -0.038 3.834) 4.146 14.091 ( -2.938 -0.377 0.284) 2.976 14.230 ( 1.096 -2.470 -1.058) 2.902 14.285 ( -1.106 3.344 -0.741) 3.599 14.389 ( 5.013 1.754 0.375) 5.325 14.580 ( 2.369 3.010 -5.342) 6.573 14.669 ( 1.861 4.833 6.990) 8.699 14.956 ( -1.788 -5.511 -2.835) 6.450 15.102 ( 1.151 -9.805 1.725) 10.022 15.385 ( -2.566 -2.846 -3.173) 4.975 15.466 ( -2.223 -4.803 4.950) 7.247 16.443 ( -6.883 11.135 -0.768) 13.113 16.549 ( -3.666 4.983 2.522) 6.681 ======================= Grid point 149 (69/76) ======================= q-point: ( 0.22 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 7.677 6.528 1.597) 10.203 0.738 ( 4.160 -2.904 1.679) 5.344 0.784 ( 5.195 -0.270 -5.939) 7.896 0.843 ( 6.483 -4.370 5.934) 9.815 0.994 ( 3.319 -2.977 -1.856) 4.830 1.046 ( 3.213 -1.307 -0.712) 3.540 1.111 ( 4.922 -6.400 1.154) 8.156 1.129 ( 0.149 -0.699 -2.053) 2.174 1.207 ( 2.071 -5.655 -2.917) 6.691 1.253 ( 2.878 0.395 2.859) 4.076 1.333 ( 4.080 -2.575 1.147) 4.959 1.386 ( 4.026 -9.827 1.082) 10.675 1.405 ( 1.063 0.592 3.648) 3.846 1.478 ( 1.694 0.974 -0.017) 1.954 1.510 ( -0.021 -0.529 0.611) 0.809 1.530 ( 3.817 -1.969 0.049) 4.295 1.611 ( 4.146 4.656 -1.753) 6.476 1.635 ( 4.850 3.663 -0.530) 6.101 1.668 ( 0.723 1.801 0.651) 2.047 1.675 ( 4.890 4.381 -1.802) 6.808 1.708 ( 3.609 0.917 -2.084) 4.267 1.802 ( 0.173 -1.355 1.579) 2.087 1.820 ( 1.147 0.646 -2.007) 2.400 1.842 ( -1.199 -2.501 -1.534) 3.169 1.897 ( 4.008 2.911 -0.404) 4.970 1.919 ( 1.129 -3.548 -3.262) 4.950 2.023 ( 1.870 -1.535 -1.797) 3.014 2.039 ( 0.222 -0.949 2.020) 2.243 2.080 ( -1.674 -0.696 0.973) 2.058 2.140 ( -1.147 0.912 -1.582) 2.156 2.173 ( 0.412 -0.028 1.830) 1.876 2.203 ( 0.331 1.604 -1.228) 2.047 2.208 ( -1.316 -3.988 0.334) 4.213 2.246 ( -3.729 0.886 0.203) 3.838 2.257 ( -1.760 0.530 -0.200) 1.849 2.305 ( -3.789 -1.021 -0.040) 3.924 2.347 ( -3.343 -1.863 1.391) 4.072 2.411 ( -2.900 -2.488 -2.303) 4.462 2.415 ( -3.930 -2.290 -0.275) 4.557 2.478 ( -1.620 -1.683 0.396) 2.369 2.510 ( -0.633 -0.502 2.105) 2.255 2.550 ( -1.327 -0.541 0.351) 1.475 2.601 ( -2.121 1.415 1.418) 2.917 2.642 ( -1.362 -1.422 -1.040) 2.226 2.669 ( 0.719 -1.111 0.091) 1.326 2.715 ( -0.985 -0.801 1.438) 1.918 2.778 ( -1.853 -0.926 0.922) 2.268 2.823 ( -2.226 -2.174 -1.097) 3.299 2.832 ( -2.276 2.403 -1.755) 3.746 2.988 ( -1.187 2.190 1.959) 3.169 3.069 ( -0.428 -6.085 1.484) 6.278 3.112 ( 2.489 0.214 -3.407) 4.225 3.154 ( 1.027 1.201 -2.554) 3.003 3.207 ( 5.018 9.082 2.944) 10.786 3.229 ( -0.599 -0.458 0.560) 0.939 3.331 ( -0.582 3.063 -1.646) 3.525 3.407 ( -1.972 0.183 0.847) 2.154 3.498 ( 7.597 7.379 1.307) 10.672 3.553 ( 2.151 2.077 -0.585) 3.047 3.714 ( 1.014 -5.952 1.406) 6.199 3.779 ( -0.610 -4.337 4.504) 6.282 3.814 ( -0.445 -3.060 0.123) 3.095 3.944 ( 1.488 4.526 -2.808) 5.530 4.138 ( 4.203 -7.024 5.034) 9.610 4.264 ( 3.636 8.711 -4.928) 10.649 4.427 ( 1.107 -3.293 -0.286) 3.486 4.651 ( -6.579 -0.474 -1.389) 6.740 4.896 ( 0.646 -6.142 2.219) 6.562 5.182 ( -7.880 5.123 -6.064) 11.185 5.364 ( -8.251 1.394 3.929) 9.244 5.445 ( -3.276 -0.044 -0.092) 3.278 5.552 ( -5.321 -1.015 1.177) 5.543 7.045 ( 1.907 -0.109 -1.884) 2.683 7.121 ( 1.431 -3.600 1.016) 4.005 7.930 ( 1.125 0.364 3.214) 3.424 7.974 ( 1.082 -4.175 0.751) 4.377 8.830 ( -0.561 7.241 -3.144) 7.914 8.865 ( -0.795 4.824 -3.295) 5.896 9.326 ( -2.322 -0.103 -6.407) 6.816 9.420 ( -4.914 -5.519 -4.650) 8.731 10.139 ( -0.156 2.590 -2.977) 3.949 10.200 ( 1.143 -0.671 -0.270) 1.353 10.280 ( -4.566 4.851 7.482) 10.018 10.434 ( -2.186 0.113 7.975) 8.269 10.667 ( -0.292 2.423 5.160) 5.708 10.820 ( 2.905 -2.010 -0.016) 3.533 11.078 ( -1.475 5.358 -7.064) 8.988 11.190 ( 0.981 0.077 -3.829) 3.953 11.588 ( -0.591 -4.362 -3.919) 5.894 11.655 ( 0.245 -7.338 -6.797) 10.006 11.929 ( 8.510 5.325 5.591) 11.491 11.967 ( 4.727 5.173 6.840) 9.793 12.084 ( 5.089 -2.197 -2.489) 6.076 12.270 ( -2.122 -4.127 5.543) 7.229 12.395 ( 3.221 6.884 -3.639) 8.427 12.512 ( 0.366 2.579 -3.148) 4.086 12.639 ( 1.889 1.736 3.716) 4.515 12.734 ( 3.071 -5.179 1.537) 6.214 12.939 ( -0.318 1.523 2.684) 3.102 13.018 ( 0.905 -0.745 0.833) 1.438 13.112 ( 3.214 -0.269 -2.697) 4.204 13.239 ( -1.237 -4.256 -3.207) 5.470 13.439 ( -3.728 0.689 -1.256) 3.994 13.561 ( -3.179 -3.610 -4.484) 6.576 13.618 ( -6.600 5.140 -1.281) 8.463 13.745 ( -4.049 -0.934 2.097) 4.654 13.819 ( -0.239 3.171 2.349) 3.953 13.985 ( 3.048 -1.479 2.298) 4.094 14.108 ( 2.212 -1.682 3.172) 4.217 14.226 ( 0.277 -1.629 -0.954) 1.908 14.292 ( 2.952 2.578 -0.811) 4.002 14.487 ( 4.736 -1.448 -0.178) 4.956 14.583 ( 2.041 2.900 -3.709) 5.131 14.773 ( 2.137 6.046 6.622) 9.218 14.913 ( -0.303 -5.825 -2.151) 6.217 15.085 ( -2.930 -5.459 -0.824) 6.251 15.291 ( -4.896 -4.068 -2.526) 6.849 15.452 ( -3.071 -8.501 3.358) 9.642 16.295 ( -7.634 12.252 -0.030) 14.436 16.459 ( -7.091 3.019 1.253) 7.808 ======================= Grid point 150 (70/76) ======================= q-point: ( 0.33 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 5.627 1.028 -0.955) 5.799 0.778 ( 1.233 -12.959 -0.748) 13.039 0.880 ( 6.997 4.525 0.120) 8.334 0.961 ( 2.728 -8.711 1.973) 9.339 1.039 ( 2.572 -2.675 -0.762) 3.788 1.104 ( 0.752 -1.819 -0.061) 1.969 1.117 ( 0.434 -2.442 -1.936) 3.146 1.182 ( 4.000 0.205 0.864) 4.098 1.276 ( 4.256 -9.458 1.401) 10.466 1.313 ( 2.320 -0.785 0.161) 2.455 1.372 ( 1.282 -2.357 0.306) 2.700 1.433 ( -1.688 -1.534 0.525) 2.340 1.492 ( 1.718 -1.845 3.093) 3.990 1.525 ( 4.298 0.460 0.551) 4.357 1.547 ( 4.208 -1.648 -0.067) 4.520 1.593 ( 1.829 0.250 -2.557) 3.154 1.635 ( 0.611 -2.216 2.881) 3.686 1.682 ( 1.691 2.010 -0.349) 2.650 1.702 ( 0.980 2.354 0.319) 2.570 1.734 ( 2.388 1.006 -3.749) 4.557 1.764 ( 3.073 -0.465 -3.977) 5.047 1.807 ( 0.029 -2.609 0.763) 2.719 1.852 ( 3.569 -0.415 0.441) 3.620 1.868 ( 3.863 -0.718 0.634) 3.980 1.925 ( 1.366 -1.549 -2.002) 2.876 1.985 ( 3.631 -0.113 0.541) 3.673 2.012 ( -1.646 0.100 -3.275) 3.667 2.056 ( -2.677 -2.121 0.095) 3.417 2.067 ( 2.423 0.831 -0.633) 2.638 2.090 ( -1.090 -0.052 2.255) 2.505 2.138 ( -1.749 -2.574 -2.470) 3.974 2.158 ( -1.985 0.313 0.527) 2.078 2.193 ( -2.762 0.594 1.038) 3.010 2.199 ( -1.390 -1.542 -1.646) 2.649 2.240 ( 0.916 -1.895 0.355) 2.135 2.272 ( -2.673 -2.228 1.634) 3.844 2.307 ( -1.888 -2.326 2.500) 3.902 2.344 ( -1.416 -1.721 -1.771) 2.847 2.379 ( 0.501 -0.419 -0.258) 0.702 2.459 ( -0.362 -2.327 -0.424) 2.392 2.488 ( -2.207 0.283 1.198) 2.527 2.533 ( -1.856 -0.307 2.065) 2.793 2.565 ( -1.466 -1.165 -0.845) 2.054 2.626 ( -2.699 -1.555 1.045) 3.286 2.676 ( 0.283 -0.451 -0.433) 0.686 2.690 ( -2.494 0.124 -0.138) 2.501 2.755 ( 0.373 0.965 -1.177) 1.567 2.779 ( -1.010 0.474 0.352) 1.170 2.816 ( 0.296 3.550 1.292) 3.789 2.962 ( -1.751 1.394 -3.431) 4.097 3.074 ( 0.070 -0.948 4.298) 4.402 3.103 ( 0.042 -3.116 -3.178) 4.450 3.151 ( -0.435 1.194 0.670) 1.437 3.227 ( -0.023 -0.759 -0.997) 1.253 3.283 ( -1.199 1.031 -1.212) 1.992 3.331 ( 0.838 2.538 0.083) 2.674 3.411 ( 3.575 10.320 3.248) 11.394 3.582 ( 2.855 4.493 -1.077) 5.431 3.644 ( 4.505 3.438 0.732) 5.714 3.767 ( -1.389 -3.933 -1.186) 4.336 3.785 ( 4.170 -2.804 3.204) 5.959 3.832 ( 1.025 -0.540 2.272) 2.550 3.950 ( 1.615 4.726 -2.143) 5.435 4.173 ( 1.167 -5.677 -1.451) 5.975 4.403 ( 3.257 5.275 5.790) 8.483 4.415 ( -1.712 -1.210 -1.939) 2.856 4.491 ( -4.594 -1.441 -2.776) 5.557 4.902 ( -1.181 -8.760 1.023) 8.898 4.997 ( -5.806 8.231 -5.008) 11.249 5.233 ( -8.695 0.877 3.099) 9.273 5.406 ( -1.307 -0.384 0.810) 1.585 5.465 ( -3.883 -0.374 0.067) 3.901 7.071 ( 2.132 -0.878 -0.929) 2.485 7.143 ( -0.061 -4.009 0.966) 4.124 7.969 ( 0.372 0.626 2.270) 2.384 7.987 ( 0.134 -1.975 0.143) 1.985 8.805 ( 0.431 8.286 -1.808) 8.491 8.830 ( -0.695 5.471 -1.132) 5.629 9.231 ( -1.589 -0.752 -6.748) 6.973 9.300 ( -3.727 -4.374 -3.138) 6.548 10.104 ( -1.178 3.746 -1.871) 4.349 10.164 ( -1.820 -0.029 -3.652) 4.080 10.318 ( -0.195 2.946 8.730) 9.216 10.450 ( -1.725 -0.617 4.703) 5.048 10.729 ( 0.250 5.028 7.085) 8.692 10.863 ( 1.777 3.280 -2.187) 4.325 11.019 ( -0.152 2.339 -1.006) 2.551 11.164 ( 0.231 -1.312 -4.349) 4.548 11.530 ( 0.095 -7.316 -6.000) 9.462 11.592 ( -0.975 -9.353 -6.085) 11.200 12.069 ( 2.063 5.078 8.099) 9.779 12.143 ( 2.207 1.317 0.618) 2.643 12.202 ( 9.688 -0.391 4.633) 10.746 12.330 ( 3.813 -3.342 4.020) 6.471 12.465 ( 7.488 5.874 -2.571) 9.858 12.504 ( 0.850 3.871 -1.710) 4.317 12.711 ( 2.397 0.476 2.517) 3.508 12.770 ( 1.250 -6.797 -0.433) 6.925 12.966 ( 1.759 4.970 -1.393) 5.453 13.058 ( -0.043 0.256 3.810) 3.819 13.141 ( 2.347 1.345 -4.054) 4.873 13.183 ( -2.080 -1.266 -2.009) 3.157 13.353 ( -3.560 -3.632 -1.172) 5.219 13.430 ( -5.453 -1.391 -3.586) 6.673 13.438 ( -9.026 7.472 -1.605) 11.827 13.668 ( -6.670 -4.874 3.993) 9.175 13.880 ( 3.886 2.363 0.599) 4.587 14.035 ( 1.007 -2.250 0.063) 2.466 14.180 ( 3.241 -0.733 -0.237) 3.331 14.259 ( 1.991 -1.189 3.290) 4.025 14.369 ( 4.495 2.295 1.028) 5.151 14.552 ( 2.939 -2.632 -1.825) 4.347 14.606 ( 3.067 4.303 -1.037) 5.385 14.808 ( -1.796 5.180 0.714) 5.529 14.924 ( -0.299 -10.087 2.111) 10.310 15.015 ( -2.839 -0.533 -0.100) 2.891 15.175 ( -3.459 -2.862 -2.504) 5.141 15.401 ( -4.134 -9.351 0.643) 10.245 16.177 ( -4.675 10.415 0.822) 11.446 16.321 ( -7.187 2.567 -0.454) 7.645 ======================= Grid point 151 (71/76) ======================= q-point: ( 0.44 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 1.684 -7.038 0.875) 7.290 0.796 ( 1.619 -12.498 -1.983) 12.758 0.965 ( 1.181 -4.624 3.042) 5.660 1.006 ( 0.031 -4.392 -1.248) 4.565 1.084 ( 1.157 -1.613 0.423) 2.029 1.104 ( -0.171 -2.771 -1.643) 3.227 1.149 ( 7.055 -0.447 0.089) 7.069 1.256 ( -0.157 -2.345 2.465) 3.405 1.302 ( -1.436 -2.761 0.761) 3.204 1.354 ( -2.920 -2.333 -2.430) 4.458 1.374 ( 3.853 0.280 -1.796) 4.260 1.420 ( 0.101 -1.340 2.478) 2.819 1.503 ( 0.777 -2.831 -1.110) 3.138 1.560 ( -1.988 -2.959 -1.075) 3.723 1.606 ( 1.219 -0.410 2.340) 2.670 1.631 ( 1.073 -1.827 -0.041) 2.119 1.662 ( 1.837 -2.128 0.797) 2.923 1.691 ( 0.515 -0.909 -1.461) 1.796 1.708 ( 1.651 4.789 -2.794) 5.785 1.743 ( -1.570 0.385 2.883) 3.306 1.801 ( 4.510 -0.779 -0.399) 4.594 1.845 ( 1.580 -3.009 1.369) 3.665 1.890 ( 0.556 -1.004 -1.595) 1.965 1.918 ( 1.040 0.627 -2.322) 2.620 1.933 ( -1.367 -1.323 2.857) 3.432 1.953 ( -4.480 -1.472 -2.095) 5.160 1.978 ( 1.957 -1.865 -1.428) 3.057 2.015 ( -1.063 -2.043 -0.187) 2.310 2.102 ( -0.104 -3.081 -0.047) 3.083 2.105 ( -0.393 -2.719 0.719) 2.840 2.129 ( 3.305 0.078 -1.980) 3.853 2.157 ( -0.437 0.282 0.569) 0.771 2.166 ( 0.203 0.038 0.677) 0.708 2.195 ( -4.219 -1.372 0.855) 4.518 2.203 ( 2.563 -0.103 -0.092) 2.566 2.254 ( -1.896 -0.804 0.867) 2.235 2.322 ( 1.175 -4.150 1.418) 4.540 2.334 ( 0.981 -3.063 -0.332) 3.233 2.410 ( 2.613 0.622 -0.792) 2.801 2.444 ( -2.015 -1.552 1.520) 2.963 2.482 ( 1.401 1.729 0.879) 2.393 2.533 ( 0.180 -0.818 1.593) 1.800 2.539 ( -1.303 -0.963 -0.517) 1.700 2.575 ( -2.200 -1.745 -0.993) 2.979 2.605 ( -2.776 -0.042 -1.435) 3.125 2.637 ( -3.494 -0.656 -1.172) 3.743 2.776 ( 2.205 1.542 0.686) 2.776 2.802 ( 0.604 0.479 -0.030) 0.771 2.844 ( 0.647 4.139 2.869) 5.078 2.892 ( -1.473 3.778 -4.155) 5.805 3.096 ( 1.779 -1.519 -1.962) 3.053 3.119 ( -1.200 -2.679 3.253) 4.382 3.146 ( 0.467 2.664 2.176) 3.471 3.198 ( -1.165 0.024 -2.893) 3.119 3.263 ( 0.290 -0.756 -0.081) 0.814 3.293 ( -2.468 -0.924 -0.280) 2.650 3.547 ( 5.021 12.591 2.927) 13.867 3.610 ( 0.292 9.229 -1.389) 9.337 3.698 ( 1.299 -1.337 0.815) 2.035 3.728 ( -1.242 -2.403 -1.287) 2.996 3.864 ( -0.590 1.333 5.268) 5.466 3.876 ( 2.858 2.212 -3.735) 5.197 4.016 ( 7.624 0.243 -0.255) 7.632 4.184 ( -3.448 4.130 -3.891) 6.639 4.250 ( -3.381 -7.586 3.360) 8.959 4.349 ( -6.403 -4.314 -1.339) 7.836 4.628 ( 9.332 5.356 2.551) 11.059 4.814 ( -8.047 5.733 -1.428) 9.983 4.964 ( 5.487 -4.072 -1.882) 7.087 5.090 ( -8.388 -1.208 1.710) 8.646 5.401 ( -0.095 -0.387 0.777) 0.873 5.415 ( -1.239 -0.185 -0.450) 1.331 7.106 ( 2.087 -2.236 -0.535) 3.105 7.136 ( -1.412 -3.493 0.740) 3.839 7.984 ( 0.068 0.267 0.508) 0.578 7.987 ( -0.196 -0.260 0.163) 0.364 8.811 ( 1.298 8.699 -1.372) 8.901 8.820 ( -0.741 7.090 1.245) 7.237 9.177 ( 1.029 -2.310 -3.120) 4.016 9.216 ( -3.320 -3.568 -1.039) 4.983 10.081 ( 0.024 2.733 -0.195) 2.740 10.104 ( -1.540 1.014 -1.972) 2.699 10.388 ( 1.112 1.607 5.076) 5.439 10.439 ( -1.557 0.343 -0.348) 1.632 10.788 ( -0.072 6.998 6.568) 9.598 10.840 ( 0.330 7.867 -6.170) 10.004 11.057 ( 1.192 -1.961 5.307) 5.782 11.123 ( -0.647 -2.079 -4.861) 5.327 11.502 ( 1.003 -10.052 -2.537) 10.416 11.527 ( -1.387 -10.770 -2.836) 11.223 12.152 ( 1.258 4.092 3.347) 5.434 12.172 ( 0.263 3.142 0.587) 3.207 12.353 ( 3.933 -0.109 1.852) 4.349 12.410 ( -0.733 -3.363 0.983) 3.579 12.555 ( 6.236 5.089 1.540) 8.194 12.614 ( 5.841 0.695 0.843) 5.942 12.735 ( 0.877 1.021 -4.404) 4.605 12.774 ( -2.873 -5.717 2.640) 6.921 12.996 ( 3.388 3.498 -1.446) 5.080 13.069 ( -3.769 0.784 1.943) 4.312 13.113 ( 4.053 3.636 -5.313) 7.608 13.149 ( -0.500 1.761 0.054) 1.832 13.230 ( -5.326 2.300 -1.462) 5.983 13.261 ( -7.952 6.988 -0.165) 10.587 13.445 ( 4.735 -6.773 1.950) 8.491 13.562 ( -6.656 -7.310 1.210) 9.960 13.960 ( 4.013 0.820 0.038) 4.096 14.023 ( -1.943 -0.674 -0.697) 2.172 14.240 ( 3.977 -1.472 -1.397) 4.465 14.290 ( -2.079 -2.592 2.078) 3.919 14.471 ( 3.951 4.565 3.618) 7.039 14.555 ( -0.888 3.272 -3.398) 4.800 14.693 ( 5.598 0.462 0.796) 5.673 14.771 ( -1.804 1.639 -0.612) 2.513 14.893 ( -1.709 -5.086 0.543) 5.393 14.936 ( -5.300 -4.506 -0.502) 6.975 15.194 ( 4.834 -3.334 1.195) 5.993 15.308 ( -5.255 -7.136 -1.289) 8.956 16.142 ( -0.075 6.990 1.558) 7.162 16.198 ( -4.410 3.976 -1.523) 6.130 ======================= Grid point 156 (72/76) ======================= 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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 0.000 -0.000 0.000) 0.000 0.539 ( 0.000 0.000 0.000) 0.000 0.567 ( -0.000 -0.000 0.000) 0.000 0.567 ( 0.000 0.000 0.000) 0.000 0.885 ( -0.000 0.000 0.000) 0.000 0.885 ( 0.000 0.000 0.000) 0.000 1.059 ( -0.000 0.000 0.000) 0.000 1.059 ( 0.000 0.000 0.000) 0.000 1.140 ( -0.000 0.000 0.000) 0.000 1.140 ( 0.000 0.000 0.000) 0.000 1.189 ( 0.000 0.000 -0.000) 0.000 1.189 ( 0.000 0.000 0.000) 0.000 1.466 ( 0.000 0.000 0.000) 0.000 1.466 ( 0.000 0.000 0.000) 0.000 1.490 ( -0.000 0.000 0.000) 0.000 1.490 ( -0.000 -0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.599 ( -0.000 0.000 0.000) 0.000 1.599 ( -0.000 0.000 0.000) 0.000 1.793 ( -0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.894 ( -0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 1.992 ( -0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.079 ( -0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.105 ( -0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 -0.000 -0.000) 0.000 2.298 ( -0.000 0.000 0.000) 0.000 2.333 ( -0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 -0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.477 ( -0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.606 ( -0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.666 ( -0.000 0.000 0.000) 0.000 2.666 ( -0.000 0.000 0.000) 0.000 2.681 ( 0.000 -0.000 -0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.878 ( -0.000 0.000 0.000) 0.000 2.878 ( -0.000 0.000 0.000) 0.000 2.998 ( -0.000 0.000 -0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.022 ( -0.000 0.000 -0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 -0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.232 ( -0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.462 ( 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 3.676 ( -0.000 0.000 0.000) 0.000 3.676 ( -0.000 0.000 0.000) 0.000 3.989 ( 0.000 0.000 0.000) 0.000 3.989 ( -0.000 0.000 0.000) 0.000 4.368 ( -0.000 0.000 0.000) 0.000 4.368 ( -0.000 0.000 0.000) 0.000 4.763 ( -0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 -0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.561 ( -0.000 -0.000 -0.000) 0.000 5.561 ( -0.000 0.000 -0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 7.029 ( -0.000 0.000 0.000) 0.000 7.854 ( -0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 8.963 ( 0.000 0.000 0.000) 0.000 8.963 ( 0.000 0.000 0.000) 0.000 9.471 ( 0.000 0.000 0.000) 0.000 9.471 ( 0.000 0.000 0.000) 0.000 10.254 ( -0.000 0.000 -0.000) 0.000 10.254 ( 0.000 0.000 0.000) 0.000 10.283 ( -0.000 0.000 -0.000) 0.000 10.283 ( 0.000 0.000 0.000) 0.000 10.732 ( -0.000 0.000 0.000) 0.000 10.732 ( 0.000 0.000 0.000) 0.000 11.170 ( 0.000 0.000 0.000) 0.000 11.170 ( 0.000 0.000 0.000) 0.000 11.646 ( 0.000 0.000 0.000) 0.000 11.646 ( -0.000 0.000 0.000) 0.000 11.791 ( -0.000 0.000 0.000) 0.000 11.791 ( 0.000 0.000 0.000) 0.000 12.210 ( 0.000 0.000 0.000) 0.000 12.210 ( 0.000 0.000 0.000) 0.000 12.425 ( -0.000 0.000 0.000) 0.000 12.425 ( -0.000 0.000 0.000) 0.000 12.653 ( -0.000 0.000 0.000) 0.000 12.653 ( 0.000 0.000 0.000) 0.000 12.906 ( -0.000 0.000 0.000) 0.000 12.906 ( -0.000 0.000 0.000) 0.000 13.177 ( -0.000 0.000 0.000) 0.000 13.177 ( 0.000 0.000 0.000) 0.000 13.533 ( -0.000 0.000 0.000) 0.000 13.533 ( -0.000 0.000 0.000) 0.000 13.787 ( 0.000 0.000 0.000) 0.000 13.787 ( 0.000 0.000 0.000) 0.000 13.864 ( -0.000 0.000 -0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 14.169 ( 0.000 0.000 0.000) 0.000 14.169 ( 0.000 0.000 0.000) 0.000 14.345 ( -0.000 0.000 0.000) 0.000 14.345 ( -0.000 0.000 0.000) 0.000 14.670 ( -0.000 0.000 -0.000) 0.000 14.670 ( -0.000 0.000 0.000) 0.000 14.915 ( 0.000 0.000 0.000) 0.000 14.915 ( 0.000 0.000 0.000) 0.000 15.422 ( 0.000 0.000 0.000) 0.000 15.422 ( 0.000 0.000 0.000) 0.000 16.623 ( 0.000 0.000 0.000) 0.000 16.623 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 160 (73/76) ======================= q-point: ( 0.11 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 4.424 -5.066 -1.136) 6.821 0.578 ( 4.424 5.066 -1.136) 6.821 0.663 ( 6.007 -2.439 4.500) 7.892 0.663 ( 6.007 2.439 4.500) 7.892 0.915 ( 2.214 -0.851 0.284) 2.389 0.915 ( 2.214 0.851 0.284) 2.389 1.086 ( 3.891 -4.292 -1.477) 5.979 1.086 ( 3.891 4.292 -1.477) 5.979 1.152 ( 1.932 -0.412 -2.110) 2.890 1.152 ( 1.932 0.412 -2.110) 2.890 1.208 ( 1.567 -0.797 1.397) 2.245 1.208 ( 1.567 0.797 1.397) 2.245 1.448 ( -1.992 -2.989 1.881) 4.054 1.448 ( -1.992 2.989 1.881) 4.054 1.493 ( 0.549 -1.205 -0.110) 1.329 1.493 ( 0.549 1.205 -0.110) 1.329 1.605 ( 4.299 -0.404 -0.012) 4.318 1.605 ( 4.299 0.404 -0.012) 4.318 1.621 ( 2.247 -0.495 0.223) 2.311 1.621 ( 2.247 0.495 0.223) 2.311 1.790 ( -0.399 -1.923 0.111) 1.967 1.790 ( -0.399 1.923 0.111) 1.967 1.864 ( -2.753 -3.261 -3.268) 5.375 1.864 ( -2.753 3.261 -3.268) 5.375 1.908 ( 0.888 -2.297 -2.147) 3.267 1.908 ( 0.888 2.297 -2.147) 3.267 1.997 ( 0.500 -1.064 -0.517) 1.284 1.997 ( 0.500 1.064 -0.517) 1.284 2.099 ( 1.177 -2.726 0.744) 3.061 2.099 ( 1.177 2.726 0.744) 3.061 2.134 ( 1.500 -0.450 1.120) 1.926 2.134 ( 1.500 0.450 1.120) 1.926 2.286 ( -0.898 -2.292 -0.638) 2.543 2.286 ( -0.898 2.292 -0.638) 2.543 2.317 ( -1.620 -1.911 -0.014) 2.506 2.317 ( -1.620 1.911 -0.014) 2.506 2.394 ( -2.871 -3.110 1.590) 4.521 2.394 ( -2.871 3.110 1.590) 4.521 2.486 ( -0.269 -1.494 1.356) 2.035 2.486 ( -0.269 1.494 1.356) 2.035 2.564 ( -3.670 -2.172 -1.539) 4.534 2.564 ( -3.670 2.172 -1.539) 4.534 2.648 ( -0.547 -0.917 -0.013) 1.068 2.648 ( -0.547 0.917 -0.013) 1.068 2.682 ( -1.289 -0.783 0.466) 1.579 2.682 ( -1.289 0.783 0.466) 1.579 2.809 ( -2.574 -2.635 -0.425) 3.708 2.809 ( -2.574 2.635 -0.425) 3.708 2.954 ( -1.221 -3.888 -1.555) 4.362 2.954 ( -1.221 3.888 -1.555) 4.362 3.066 ( 0.132 -1.468 -1.196) 1.898 3.066 ( 0.132 1.468 -1.196) 1.898 3.195 ( 1.493 -2.462 2.221) 3.637 3.195 ( 1.493 2.462 2.221) 3.637 3.262 ( 6.441 -5.966 0.237) 8.783 3.262 ( 6.441 5.966 0.237) 8.783 3.449 ( -0.290 -2.658 -1.124) 2.901 3.449 ( -0.290 2.658 -1.124) 2.901 3.593 ( -0.224 -5.359 2.747) 6.026 3.593 ( -0.224 5.359 2.747) 6.026 3.703 ( 0.939 -3.248 2.528) 4.222 3.703 ( 0.939 3.248 2.528) 4.222 4.000 ( 1.725 -1.990 -1.230) 2.907 4.000 ( 1.725 1.990 -1.230) 2.907 4.360 ( 0.538 -2.720 -2.275) 3.587 4.360 ( 0.538 2.720 -2.275) 3.587 4.765 ( -0.610 -3.690 0.983) 3.867 4.765 ( -0.610 3.690 0.983) 3.867 5.449 ( -5.591 -4.483 -3.101) 7.808 5.449 ( -5.591 4.483 -3.101) 7.808 5.560 ( -3.155 -4.364 3.028) 6.178 5.560 ( -3.155 4.364 3.028) 6.178 7.041 ( 1.388 -1.220 -0.614) 1.947 7.041 ( 1.388 1.220 -0.614) 1.947 7.880 ( 1.824 -0.841 1.464) 2.486 7.880 ( 1.824 0.841 1.464) 2.486 8.945 ( 0.041 -0.890 -3.703) 3.808 8.945 ( 0.041 0.890 -3.703) 3.808 9.437 ( -2.680 -2.501 -2.138) 4.243 9.437 ( -2.680 2.501 -2.138) 4.243 10.185 ( -0.543 -0.147 -3.139) 3.189 10.185 ( -0.543 0.147 -3.139) 3.189 10.370 ( -1.571 -2.437 10.659) 11.047 10.370 ( -1.571 2.437 10.659) 11.047 10.708 ( -0.150 -3.017 -1.604) 3.420 10.708 ( -0.150 3.017 -1.604) 3.420 11.198 ( 2.751 -0.572 -3.637) 4.596 11.198 ( 2.751 0.572 -3.637) 4.596 11.598 ( -0.865 -4.448 -3.297) 5.604 11.598 ( -0.865 4.448 -3.297) 5.604 11.871 ( 5.900 -6.578 0.272) 8.841 11.871 ( 5.900 6.578 0.272) 8.841 12.155 ( -5.872 -10.669 5.287) 13.276 12.155 ( -5.872 10.669 5.287) 13.276 12.465 ( 4.062 -5.257 -2.636) 7.148 12.465 ( 4.062 5.257 -2.636) 7.148 12.649 ( -0.121 -1.792 -0.129) 1.800 12.649 ( -0.121 1.792 -0.129) 1.800 12.929 ( 1.213 -2.874 2.561) 4.036 12.929 ( 1.213 2.874 2.561) 4.036 13.161 ( -0.006 -4.873 -2.771) 5.606 13.161 ( -0.006 4.873 -2.771) 5.606 13.532 ( 0.451 -3.518 -2.350) 4.255 13.532 ( 0.451 3.518 -2.350) 4.255 13.777 ( -1.856 -4.370 0.938) 4.840 13.777 ( -1.856 4.370 0.938) 4.840 13.873 ( -0.243 -4.026 2.457) 4.723 13.873 ( -0.243 4.026 2.457) 4.723 14.145 ( -1.659 -5.388 0.461) 5.656 14.145 ( -1.659 5.388 0.461) 5.656 14.359 ( 1.619 -4.125 -0.860) 4.514 14.359 ( 1.619 4.125 -0.860) 4.514 14.684 ( 1.999 -5.911 -1.422) 6.400 14.684 ( 1.999 5.911 -1.422) 6.400 14.937 ( 0.525 -6.559 2.928) 7.202 14.937 ( 0.525 6.559 2.928) 7.202 15.389 ( -2.784 -2.809 -1.189) 4.130 15.389 ( -2.784 2.809 -1.189) 4.130 16.575 ( -5.427 -2.655 1.196) 6.159 16.575 ( -5.427 2.655 1.196) 6.159 ======================= Grid point 162 (74/76) ======================= q-point: ( 0.22 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 3.388 -2.205 -2.523) 4.765 0.645 ( 3.388 2.205 -2.523) 4.765 0.813 ( 4.809 -2.616 3.976) 6.766 0.813 ( 4.809 2.616 3.976) 6.766 0.971 ( 5.274 -4.270 -1.634) 6.980 0.971 ( 5.274 4.270 -1.634) 6.980 1.123 ( 0.677 -3.381 -3.076) 4.621 1.123 ( 0.677 3.381 -3.076) 4.621 1.188 ( 2.592 -7.850 0.138) 8.268 1.188 ( 2.592 7.850 0.138) 8.268 1.293 ( 5.367 -2.320 2.773) 6.471 1.293 ( 5.367 2.320 2.773) 6.471 1.454 ( 0.432 -3.184 3.800) 4.977 1.454 ( 0.432 3.184 3.800) 4.977 1.504 ( 1.452 -0.245 -1.109) 1.843 1.504 ( 1.452 0.245 -1.109) 1.843 1.674 ( 2.390 -0.825 0.518) 2.581 1.674 ( 2.390 0.825 0.518) 2.581 1.701 ( 5.380 -0.586 -1.833) 5.714 1.701 ( 5.380 0.586 -1.833) 5.714 1.774 ( -1.430 -1.186 -1.597) 2.450 1.774 ( -1.430 1.186 -1.597) 2.450 1.797 ( -0.319 -3.606 -0.361) 3.638 1.797 ( -0.319 3.606 -0.361) 3.638 1.925 ( 2.674 -2.218 -1.871) 3.946 1.925 ( 2.674 2.218 -1.871) 3.946 2.002 ( 0.256 -1.895 0.329) 1.940 2.002 ( 0.256 1.895 0.329) 1.940 2.112 ( -0.146 -3.903 -1.271) 4.108 2.112 ( -0.146 3.903 -1.271) 4.108 2.163 ( 0.888 -1.712 -0.150) 1.934 2.163 ( 0.888 1.712 -0.150) 1.934 2.256 ( -2.227 -1.582 0.904) 2.877 2.256 ( -2.227 1.582 0.904) 2.877 2.267 ( -3.603 -1.267 -0.596) 3.866 2.267 ( -3.603 1.267 -0.596) 3.866 2.334 ( -3.958 -2.006 1.230) 4.604 2.334 ( -3.958 2.006 1.230) 4.604 2.435 ( -2.685 -2.208 -2.029) 4.025 2.435 ( -2.685 2.208 -2.029) 4.025 2.528 ( -0.889 -1.475 1.534) 2.307 2.528 ( -0.889 1.475 1.534) 2.307 2.635 ( -2.585 -1.761 1.160) 3.336 2.635 ( -2.585 1.761 1.160) 3.336 2.665 ( 0.735 -2.572 -0.012) 2.675 2.665 ( 0.735 2.572 -0.012) 2.675 2.786 ( -1.031 -1.618 0.699) 2.041 2.786 ( -1.031 1.618 0.699) 2.041 2.919 ( -0.584 -5.969 -1.855) 6.278 2.919 ( -0.584 5.969 -1.855) 6.278 3.057 ( -0.596 -2.976 1.122) 3.235 3.057 ( -0.596 2.976 1.122) 3.235 3.200 ( -0.271 -2.157 -0.246) 2.188 3.200 ( -0.271 2.157 -0.246) 2.188 3.357 ( 0.705 -2.962 -1.520) 3.403 3.357 ( 0.705 2.962 -1.520) 3.403 3.503 ( 8.073 -8.875 -0.855) 12.028 3.503 ( 8.073 8.875 -0.855) 12.028 3.624 ( 0.522 -5.321 4.025) 6.692 3.624 ( 0.522 5.321 4.025) 6.692 3.734 ( 0.087 -3.798 2.087) 4.334 3.734 ( 0.087 3.798 2.087) 4.334 4.027 ( 1.621 -4.492 -0.731) 4.831 4.027 ( 1.621 4.492 -0.731) 4.831 4.369 ( 2.395 -2.973 -1.349) 4.049 4.369 ( 2.395 2.973 -1.349) 4.049 4.737 ( -2.878 -8.620 -0.580) 9.107 4.737 ( -2.878 8.620 -0.580) 9.107 5.306 ( -6.913 -6.140 -1.269) 9.332 5.306 ( -6.913 6.140 -1.269) 9.332 5.501 ( -4.779 -3.977 1.790) 6.470 5.501 ( -4.779 3.977 1.790) 6.470 7.064 ( 1.363 -2.140 -0.444) 2.575 7.064 ( 1.363 2.140 -0.444) 2.575 7.932 ( 1.801 -0.640 1.828) 2.645 7.932 ( 1.801 0.640 1.828) 2.645 8.911 ( -0.046 -0.890 -3.548) 3.658 8.911 ( -0.046 0.890 -3.548) 3.658 9.341 ( -3.519 -2.331 -5.213) 6.707 9.341 ( -3.519 2.331 -5.213) 6.707 10.178 ( 0.344 -1.645 -0.870) 1.892 10.178 ( 0.344 1.645 -0.870) 1.892 10.384 ( -4.222 -5.008 8.449) 10.690 10.384 ( -4.222 5.008 8.449) 10.690 10.741 ( 2.198 -5.004 3.717) 6.610 10.741 ( 2.198 5.004 3.717) 6.610 11.176 ( 1.174 -3.147 -8.579) 9.213 11.176 ( 1.174 3.147 -8.579) 9.213 11.555 ( -1.738 -2.060 -3.856) 4.704 11.555 ( -1.738 2.060 -3.856) 4.704 12.007 ( 8.740 -3.577 0.031) 9.443 12.007 ( 8.740 3.577 0.031) 9.443 12.135 ( -2.255 -8.828 8.468) 12.439 12.135 ( -2.255 8.828 8.468) 12.439 12.514 ( 4.118 -3.939 -3.969) 6.945 12.514 ( 4.118 3.939 -3.969) 6.945 12.655 ( 0.585 -1.539 0.718) 1.796 12.655 ( 0.585 1.539 0.718) 1.796 12.987 ( 1.422 -2.851 4.325) 5.372 12.987 ( 1.422 2.851 4.325) 5.372 13.143 ( 0.936 -4.552 -2.866) 5.460 13.143 ( 0.936 4.552 -2.866) 5.460 13.488 ( -2.039 -3.751 -5.226) 6.748 13.488 ( -2.039 3.751 -5.226) 6.748 13.708 ( -6.631 -3.571 1.492) 7.678 13.708 ( -6.631 3.571 1.492) 7.678 13.903 ( 1.383 -5.516 2.210) 6.101 13.903 ( 1.383 5.516 2.210) 6.101 14.151 ( 1.420 -4.785 2.001) 5.378 14.151 ( 1.420 4.785 2.001) 5.378 14.390 ( 2.891 -6.432 -1.473) 7.204 14.390 ( 2.891 6.432 -1.473) 7.204 14.714 ( 2.065 -8.817 -0.902) 9.101 14.714 ( 2.065 8.817 -0.902) 9.101 14.961 ( -1.042 -8.075 2.564) 8.536 14.961 ( -1.042 8.075 2.564) 8.536 15.310 ( -3.798 -5.635 -1.472) 6.953 15.310 ( -3.798 5.635 -1.472) 6.953 16.452 ( -7.937 -4.206 0.921) 9.030 16.452 ( -7.937 4.206 0.921) 9.030 ======================= Grid point 164 (75/76) ======================= q-point: ( 0.33 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 1.010 -2.187 -2.121) 3.210 0.662 ( 1.010 2.187 -2.121) 3.210 0.902 ( 2.179 -3.546 2.115) 4.669 0.902 ( 2.179 3.546 2.115) 4.669 1.079 ( 3.870 -5.322 -1.917) 6.853 1.079 ( 3.870 5.322 -1.917) 6.853 1.103 ( 2.770 -3.196 -1.323) 4.431 1.103 ( 2.770 3.196 -1.323) 4.431 1.239 ( 2.444 -5.242 1.354) 5.940 1.239 ( 2.444 5.242 1.354) 5.940 1.382 ( 2.092 -2.310 -1.308) 3.380 1.382 ( 2.092 2.310 -1.308) 3.380 1.516 ( 1.613 -1.790 2.620) 3.560 1.516 ( 1.613 1.790 2.620) 3.560 1.557 ( 4.148 -2.548 2.187) 5.337 1.557 ( 4.148 2.548 2.187) 5.337 1.657 ( -3.011 -4.185 -2.396) 5.685 1.657 ( -3.011 4.185 -2.396) 5.685 1.734 ( 1.587 -1.917 -0.077) 2.490 1.734 ( 1.587 1.917 -0.077) 2.490 1.791 ( 1.653 -4.480 1.035) 4.886 1.791 ( 1.653 4.480 1.035) 4.886 1.834 ( 3.625 -2.267 -1.113) 4.418 1.834 ( 3.625 2.267 -1.113) 4.418 1.964 ( 1.757 -3.869 -1.413) 4.478 1.964 ( 1.757 3.869 -1.413) 4.478 2.011 ( -0.590 -2.054 0.749) 2.265 2.011 ( -0.590 2.054 0.749) 2.265 2.076 ( -0.891 -2.779 -2.608) 3.914 2.076 ( -0.891 2.779 -2.608) 3.914 2.148 ( -0.929 -3.131 -1.171) 3.470 2.148 ( -0.929 3.131 -1.171) 3.470 2.186 ( -2.370 -0.914 0.179) 2.547 2.186 ( -2.370 0.914 0.179) 2.547 2.237 ( -2.048 -1.395 1.774) 3.048 2.237 ( -2.048 1.395 1.774) 3.048 2.297 ( -0.873 -1.745 -0.065) 1.952 2.297 ( -0.873 1.745 -0.065) 1.952 2.405 ( 0.104 -2.653 0.081) 2.656 2.405 ( 0.104 2.653 0.081) 2.656 2.517 ( -1.183 -1.577 1.049) 2.234 2.517 ( -1.183 1.577 1.049) 2.234 2.575 ( -3.280 -2.344 0.445) 4.056 2.575 ( -3.280 2.344 0.445) 4.056 2.689 ( -0.426 -0.494 -0.321) 0.727 2.689 ( -0.426 0.494 -0.321) 0.727 2.771 ( 0.262 -0.884 -0.273) 0.962 2.771 ( 0.262 0.884 -0.273) 0.962 2.906 ( 0.058 -5.519 -0.059) 5.520 2.906 ( 0.058 5.519 -0.059) 5.520 3.063 ( 0.287 -1.588 0.753) 1.781 3.063 ( 0.287 1.588 0.753) 1.781 3.192 ( -0.362 -2.204 -0.082) 2.235 3.192 ( -0.362 2.204 -0.082) 2.235 3.322 ( -2.590 -1.979 -0.417) 3.286 3.322 ( -2.590 1.979 -0.417) 3.286 3.654 ( 8.137 -4.270 -2.825) 9.614 3.654 ( 8.137 4.270 -2.825) 9.614 3.682 ( 1.376 -4.256 3.879) 5.921 3.682 ( 1.376 4.256 3.879) 5.921 3.753 ( 1.672 -3.662 0.414) 4.047 3.753 ( 1.672 3.662 0.414) 4.047 4.045 ( 0.996 -5.057 0.052) 5.154 4.045 ( 0.996 5.057 0.052) 5.154 4.393 ( -1.949 -0.345 -0.031) 1.979 4.393 ( -1.949 0.345 -0.031) 1.979 4.680 ( 0.368 -12.975 -1.142) 13.030 4.680 ( 0.368 12.975 -1.142) 13.030 5.167 ( -7.519 -7.367 0.141) 10.527 5.167 ( -7.519 7.367 0.141) 10.527 5.433 ( -2.916 -2.485 0.604) 3.879 5.433 ( -2.916 2.485 0.604) 3.879 7.082 ( 0.725 -2.055 0.053) 2.180 7.082 ( 0.725 2.055 0.053) 2.180 7.971 ( 0.780 -0.328 1.196) 1.465 7.971 ( 0.780 0.328 1.196) 1.465 8.893 ( 0.396 -0.517 -1.133) 1.307 8.893 ( 0.396 0.517 -1.133) 1.307 9.234 ( -2.632 -1.986 -5.297) 6.240 9.234 ( -2.632 1.986 -5.297) 6.240 10.151 ( -1.322 -1.502 -2.581) 3.266 10.151 ( -1.322 1.502 -2.581) 3.266 10.398 ( -1.637 -4.512 7.333) 8.764 10.398 ( -1.637 4.512 7.333) 8.764 10.824 ( 1.454 -4.759 6.399) 8.106 10.824 ( 1.454 4.759 6.399) 8.106 11.125 ( 1.117 -4.793 -7.953) 9.352 11.125 ( 1.117 4.793 -7.953) 9.352 11.466 ( -2.627 -2.223 -5.192) 6.229 11.466 ( -2.627 2.223 -5.192) 6.229 12.150 ( 1.651 -1.639 6.548) 6.948 12.150 ( 1.651 1.639 6.548) 6.948 12.231 ( 6.852 -5.210 3.109) 9.153 12.231 ( 6.852 5.210 3.109) 9.153 12.555 ( 4.331 -2.713 -4.465) 6.786 12.555 ( 4.331 2.713 -4.465) 6.786 12.688 ( 2.154 -2.792 0.755) 3.606 12.688 ( 2.154 2.792 0.755) 3.606 13.045 ( 1.085 -2.138 2.680) 3.596 13.045 ( 1.085 2.138 2.680) 3.596 13.147 ( 0.951 -1.117 -1.064) 1.812 13.147 ( 0.951 1.117 -1.064) 1.812 13.374 ( -4.382 -3.781 -4.771) 7.501 13.374 ( -4.382 3.781 -4.771) 7.501 13.570 ( -8.633 -5.917 1.490) 10.572 13.570 ( -8.633 5.917 1.490) 10.572 13.954 ( 2.610 -5.116 0.117) 5.745 13.954 ( 2.610 5.116 0.117) 5.745 14.210 ( 1.933 -3.139 2.115) 4.250 14.210 ( 1.933 3.139 2.115) 4.250 14.452 ( 4.697 -5.590 -0.336) 7.309 14.452 ( 4.697 5.590 -0.336) 7.309 14.744 ( 1.489 -8.586 -0.134) 8.715 14.744 ( 1.489 8.586 -0.134) 8.715 14.927 ( -3.888 -6.818 0.404) 7.859 14.927 ( -3.888 6.818 0.404) 7.859 15.238 ( -2.574 -7.495 -0.584) 7.946 15.238 ( -2.574 7.495 -0.584) 7.946 16.313 ( -6.596 -3.782 0.207) 7.606 16.313 ( -6.596 3.782 0.207) 7.606 ======================= Grid point 166 (76/76) ======================= q-point: ( 0.44 -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 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.154 -1.279 -0.551) 1.401 0.660 ( 0.154 1.279 -0.551) 1.401 0.942 ( 0.862 -2.056 0.748) 2.351 0.942 ( 0.862 2.056 0.748) 2.351 1.075 ( 0.027 -0.507 -0.611) 0.794 1.075 ( 0.027 0.507 -0.611) 0.794 1.191 ( 3.197 -4.131 0.316) 5.233 1.191 ( 3.197 4.131 0.316) 5.233 1.292 ( 0.737 -2.118 -0.114) 2.246 1.292 ( 0.737 2.118 -0.114) 2.246 1.393 ( 2.557 -1.485 -0.752) 3.051 1.393 ( 2.557 1.485 -0.752) 3.051 1.501 ( -3.581 -2.190 -1.981) 4.642 1.501 ( -3.581 2.190 -1.981) 4.642 1.610 ( 0.377 -0.725 1.229) 1.476 1.610 ( 0.377 0.725 1.229) 1.476 1.658 ( 2.087 -1.419 1.193) 2.791 1.658 ( 2.087 1.419 1.193) 2.791 1.769 ( 1.657 -1.025 2.286) 3.003 1.769 ( 1.657 1.025 2.286) 3.003 1.824 ( 0.170 -2.784 -0.656) 2.865 1.824 ( 0.170 2.784 -0.656) 2.865 1.877 ( 1.427 -3.624 0.200) 3.900 1.877 ( 1.427 3.624 0.200) 3.900 1.937 ( -0.841 -0.510 -2.707) 2.880 1.937 ( -0.841 0.510 -2.707) 2.880 1.973 ( -2.056 -2.033 -0.630) 2.960 1.973 ( -2.056 2.033 -0.630) 2.960 2.065 ( 0.069 -0.734 0.424) 0.850 2.065 ( 0.069 0.734 0.424) 0.850 2.157 ( 0.503 -1.623 -0.514) 1.776 2.157 ( 0.503 1.623 -0.514) 1.776 2.163 ( -0.968 -0.541 -0.230) 1.132 2.163 ( -0.968 0.541 -0.230) 1.132 2.229 ( 1.495 -2.086 1.028) 2.765 2.229 ( 1.495 2.086 1.028) 2.765 2.286 ( -0.609 -1.185 0.026) 1.332 2.286 ( -0.609 1.185 0.026) 1.332 2.420 ( 0.541 -0.805 0.685) 1.187 2.420 ( 0.541 0.805 0.685) 1.187 2.516 ( 0.246 -1.334 1.601) 2.098 2.516 ( 0.246 1.334 1.601) 2.098 2.541 ( -0.277 -1.245 -0.278) 1.305 2.541 ( -0.277 1.245 -0.278) 1.305 2.619 ( -3.997 -1.119 -1.942) 4.582 2.619 ( -3.997 1.119 -1.942) 4.582 2.795 ( 1.198 -0.729 -0.269) 1.428 2.795 ( 1.198 0.729 -0.269) 1.428 2.914 ( 0.185 -2.076 0.631) 2.178 2.914 ( 0.185 2.076 0.631) 2.178 3.080 ( 0.804 -1.045 0.162) 1.329 3.080 ( 0.804 1.045 0.162) 1.329 3.184 ( -0.429 -1.355 0.185) 1.433 3.184 ( -0.429 1.355 0.185) 1.433 3.272 ( -1.680 -1.190 -0.366) 2.091 3.272 ( -1.680 1.190 -0.366) 2.091 3.694 ( -0.076 -0.903 0.086) 0.910 3.694 ( -0.076 0.903 0.086) 0.910 3.773 ( 1.499 -8.339 6.027) 10.397 3.773 ( 1.499 8.339 6.027) 10.397 3.803 ( 4.156 -9.117 -6.051) 11.704 3.803 ( 4.156 9.117 -6.051) 11.704 4.098 ( 4.957 -6.557 1.070) 8.290 4.098 ( 4.957 6.557 1.070) 8.290 4.263 ( -8.780 -4.280 -1.391) 9.866 4.263 ( -8.780 4.280 -1.391) 9.866 4.765 ( 6.021 -7.628 1.003) 9.769 4.765 ( 6.021 7.628 1.003) 9.769 5.020 ( -6.879 -5.939 -0.506) 9.102 5.020 ( -6.879 5.939 -0.506) 9.102 5.404 ( -0.668 -0.690 0.161) 0.973 5.404 ( -0.668 0.690 0.161) 0.973 7.092 ( 0.213 -0.844 0.136) 0.881 7.092 ( 0.213 0.844 0.136) 0.881 7.984 ( 0.097 -0.190 0.340) 0.402 7.984 ( 0.097 0.190 0.340) 0.402 8.904 ( 0.657 -0.252 0.426) 0.823 8.904 ( 0.657 0.252 0.426) 0.823 9.159 ( -1.299 -1.435 -2.599) 3.241 9.159 ( -1.299 1.435 -2.599) 3.241 10.111 ( -0.695 -0.510 -1.169) 1.452 10.111 ( -0.695 0.510 -1.169) 1.452 10.425 ( -0.430 -1.807 2.727) 3.299 10.425 ( -0.430 1.807 2.727) 3.299 10.893 ( 0.537 -2.958 4.124) 5.104 10.893 ( 0.537 2.958 4.124) 5.104 11.083 ( 0.300 -3.309 -4.308) 5.441 11.083 ( 0.300 3.309 -4.308) 5.441 11.396 ( -0.974 -0.957 -2.246) 2.628 11.396 ( -0.974 0.957 -2.246) 2.628 12.213 ( 0.372 -0.449 3.690) 3.736 12.213 ( 0.372 0.449 3.690) 3.736 12.345 ( 2.489 -1.750 0.370) 3.065 12.345 ( 2.489 1.750 0.370) 3.065 12.621 ( 4.670 -2.604 -1.154) 5.470 12.621 ( 4.670 2.604 -1.154) 5.470 12.724 ( 0.497 -1.469 -0.235) 1.569 12.724 ( 0.497 1.469 -0.235) 1.569 13.068 ( 0.234 -2.570 0.206) 2.589 13.068 ( 0.234 2.570 0.206) 2.589 13.134 ( -1.287 -1.898 -1.324) 2.649 13.134 ( -1.287 1.898 -1.324) 2.649 13.308 ( 0.763 -5.056 -0.211) 5.117 13.308 ( 0.763 5.056 -0.211) 5.117 13.430 ( -6.228 -6.504 0.588) 9.025 13.430 ( -6.228 6.504 0.588) 9.025 13.994 ( 1.445 -2.294 -0.374) 2.737 13.994 ( 1.445 2.294 -0.374) 2.737 14.240 ( 0.224 -1.915 0.378) 1.965 14.240 ( 0.224 1.915 0.378) 1.965 14.552 ( 4.133 -3.223 1.193) 5.375 14.552 ( 4.133 3.223 1.193) 5.375 14.760 ( 0.168 -5.162 -0.578) 5.197 14.760 ( 0.168 5.162 -0.578) 5.197 14.847 ( -3.222 -3.364 -0.251) 4.665 14.847 ( -3.222 3.364 -0.251) 4.665 15.203 ( -0.861 -3.607 -0.015) 3.708 15.203 ( -0.861 3.607 -0.015) 3.708 16.224 ( -2.528 -1.506 -0.042) 2.942 16.224 ( -2.528 1.506 -0.042) 2.942 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 30.197 16.850 16.852 0.000 2.567 0.000 3/25920 20.0 8.096 5.371 4.260 0.000 0.792 0.000 3/25920 30.0 4.338 3.068 2.255 0.000 0.395 0.000 3/25920 40.0 2.981 2.193 1.554 0.000 0.254 0.000 3/25920 50.0 2.302 1.744 1.206 0.000 0.185 0.000 3/25920 60.0 1.894 1.466 0.997 0.000 0.146 0.000 3/25920 70.0 1.618 1.274 0.856 0.000 0.120 0.000 3/25920 80.0 1.416 1.130 0.753 0.000 0.102 0.000 3/25920 90.0 1.262 1.018 0.676 0.000 0.089 0.000 3/25920 100.0 1.139 0.927 0.614 0.000 0.078 0.000 3/25920 110.0 1.039 0.852 0.564 0.000 0.070 0.000 3/25920 120.0 0.955 0.789 0.523 0.000 0.064 0.000 3/25920 130.0 0.885 0.735 0.487 0.000 0.058 0.000 3/25920 140.0 0.824 0.688 0.457 0.000 0.054 0.000 3/25920 150.0 0.771 0.648 0.430 0.000 0.050 0.000 3/25920 160.0 0.725 0.612 0.407 0.000 0.046 0.000 3/25920 170.0 0.684 0.579 0.386 0.000 0.043 0.000 3/25920 180.0 0.648 0.551 0.367 0.000 0.041 0.000 3/25920 190.0 0.615 0.525 0.350 0.000 0.039 0.000 3/25920 200.0 0.586 0.501 0.335 0.000 0.037 0.000 3/25920 210.0 0.559 0.480 0.321 0.000 0.035 0.000 3/25920 220.0 0.535 0.460 0.308 0.000 0.033 0.000 3/25920 230.0 0.512 0.442 0.296 0.000 0.032 0.000 3/25920 240.0 0.492 0.425 0.285 0.000 0.030 0.000 3/25920 250.0 0.473 0.410 0.275 0.000 0.029 0.000 3/25920 260.0 0.455 0.395 0.265 0.000 0.028 0.000 3/25920 270.0 0.439 0.382 0.256 0.000 0.027 0.000 3/25920 280.0 0.424 0.369 0.248 0.000 0.026 0.000 3/25920 290.0 0.410 0.358 0.240 0.000 0.025 0.000 3/25920 300.0 0.396 0.346 0.232 0.000 0.024 0.000 3/25920 310.0 0.384 0.336 0.226 0.000 0.023 0.000 3/25920 320.0 0.372 0.326 0.219 0.000 0.023 0.000 3/25920 330.0 0.361 0.317 0.213 0.000 0.022 0.000 3/25920 340.0 0.351 0.308 0.207 0.000 0.021 0.000 3/25920 350.0 0.341 0.300 0.201 0.000 0.021 0.000 3/25920 360.0 0.332 0.292 0.196 0.000 0.020 0.000 3/25920 370.0 0.323 0.285 0.191 0.000 0.020 0.000 3/25920 380.0 0.315 0.278 0.186 0.000 0.019 0.000 3/25920 390.0 0.307 0.271 0.182 0.000 0.019 0.000 3/25920 400.0 0.300 0.264 0.178 0.000 0.018 0.000 3/25920 410.0 0.292 0.258 0.173 0.000 0.018 0.000 3/25920 420.0 0.286 0.252 0.170 0.000 0.017 0.000 3/25920 430.0 0.279 0.247 0.166 0.000 0.017 0.000 3/25920 440.0 0.273 0.241 0.162 0.000 0.016 0.000 3/25920 450.0 0.267 0.236 0.159 0.000 0.016 0.000 3/25920 460.0 0.261 0.231 0.155 0.000 0.016 0.000 3/25920 470.0 0.256 0.227 0.152 0.000 0.015 0.000 3/25920 480.0 0.250 0.222 0.149 0.000 0.015 0.000 3/25920 490.0 0.245 0.218 0.146 0.000 0.015 0.000 3/25920 500.0 0.241 0.214 0.143 0.000 0.014 0.000 3/25920 510.0 0.236 0.209 0.141 0.000 0.014 0.000 3/25920 520.0 0.232 0.206 0.138 0.000 0.014 0.000 3/25920 530.0 0.227 0.202 0.136 0.000 0.014 0.000 3/25920 540.0 0.223 0.198 0.133 0.000 0.013 0.000 3/25920 550.0 0.219 0.195 0.131 0.000 0.013 0.000 3/25920 560.0 0.215 0.191 0.129 0.000 0.013 0.000 3/25920 570.0 0.211 0.188 0.126 0.000 0.013 0.000 3/25920 580.0 0.208 0.185 0.124 0.000 0.012 0.000 3/25920 590.0 0.204 0.182 0.122 0.000 0.012 0.000 3/25920 600.0 0.201 0.179 0.120 0.000 0.012 0.000 3/25920 610.0 0.198 0.176 0.118 0.000 0.012 0.000 3/25920 620.0 0.195 0.173 0.116 0.000 0.012 0.000 3/25920 630.0 0.192 0.171 0.115 0.000 0.011 0.000 3/25920 640.0 0.189 0.168 0.113 0.000 0.011 0.000 3/25920 650.0 0.186 0.165 0.111 0.000 0.011 0.000 3/25920 660.0 0.183 0.163 0.110 0.000 0.011 0.000 3/25920 670.0 0.180 0.161 0.108 0.000 0.011 0.000 3/25920 680.0 0.178 0.158 0.106 0.000 0.011 0.000 3/25920 690.0 0.175 0.156 0.105 0.000 0.010 0.000 3/25920 700.0 0.173 0.154 0.103 0.000 0.010 0.000 3/25920 710.0 0.170 0.152 0.102 0.000 0.010 0.000 3/25920 720.0 0.168 0.150 0.101 0.000 0.010 0.000 3/25920 730.0 0.166 0.148 0.099 0.000 0.010 0.000 3/25920 740.0 0.163 0.146 0.098 0.000 0.010 0.000 3/25920 750.0 0.161 0.144 0.097 0.000 0.010 0.000 3/25920 760.0 0.159 0.142 0.095 0.000 0.010 0.000 3/25920 770.0 0.157 0.140 0.094 0.000 0.009 0.000 3/25920 780.0 0.155 0.138 0.093 0.000 0.009 0.000 3/25920 790.0 0.153 0.137 0.092 0.000 0.009 0.000 3/25920 800.0 0.151 0.135 0.091 0.000 0.009 0.000 3/25920 810.0 0.149 0.133 0.090 0.000 0.009 0.000 3/25920 820.0 0.147 0.132 0.089 0.000 0.009 0.000 3/25920 830.0 0.146 0.130 0.087 0.000 0.009 0.000 3/25920 840.0 0.144 0.129 0.086 0.000 0.009 0.000 3/25920 850.0 0.142 0.127 0.085 0.000 0.009 0.000 3/25920 860.0 0.141 0.126 0.084 0.000 0.008 0.000 3/25920 870.0 0.139 0.124 0.083 0.000 0.008 0.000 3/25920 880.0 0.137 0.123 0.083 0.000 0.008 0.000 3/25920 890.0 0.136 0.122 0.082 0.000 0.008 0.000 3/25920 900.0 0.134 0.120 0.081 0.000 0.008 0.000 3/25920 910.0 0.133 0.119 0.080 0.000 0.008 0.000 3/25920 920.0 0.132 0.118 0.079 0.000 0.008 0.000 3/25920 930.0 0.130 0.116 0.078 0.000 0.008 0.000 3/25920 940.0 0.129 0.115 0.077 0.000 0.008 0.000 3/25920 950.0 0.127 0.114 0.077 0.000 0.008 0.000 3/25920 960.0 0.126 0.113 0.076 0.000 0.008 0.000 3/25920 970.0 0.125 0.112 0.075 0.000 0.007 0.000 3/25920 980.0 0.124 0.110 0.074 0.000 0.007 0.000 3/25920 990.0 0.122 0.109 0.073 0.000 0.007 0.000 3/25920 1000.0 0.121 0.108 0.073 0.000 0.007 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m964.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:58:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|