# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/df888b95-cbe2-4d7d-bcb4-3aa73908ffea/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for K3RhCl6 / P2_1/c (14) / materials id 28837](https://mdr.nims.go.jp/datasets/699a80e1-05c4-4848-a4d0-fa0a652ee9b9) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 07:34:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 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 12.458005377681003 0.000000000000000 0.000000000000000 b 0.000000000000000 7.453813440000002 0.000000000000000 c -3.590282454147403 0.000000000000000 11.221746651745180Atomic positions (fractional): *1 Cl 0.58956973515512 0.25569668155463 0.10199539619631 35.453 *2 Cl 0.62196739630790 0.68621049640835 0.63928315126498 35.453 3 Cl 0.37803260369210 0.18621049640835 0.86071684873502 35.453 4 Cl 0.37803260369210 0.31378950359165 0.36071684873502 35.453 *5 Cl 0.99892860539159 0.12823442497958 0.68000343352712 35.453 6 Cl 0.00107139460841 0.62823442497958 0.81999656647288 35.453 7 Cl 0.00107139460841 0.87176557502042 0.31999656647288 35.453 8 Cl 0.99892860539159 0.37176557502042 0.18000343352712 35.453 *9 Cl 0.14754642795585 0.18988763367090 0.49396211177711 35.453 10 Cl 0.85245357204415 0.68988763367090 0.00603788822289 35.453 11 Cl 0.85245357204415 0.81011236632910 0.50603788822289 35.453 12 Cl 0.14754642795585 0.31011236632910 0.99396211177711 35.453 *13 Cl 0.13817823827814 0.79559906788578 0.60201034199648 35.453 14 Cl 0.86182176172186 0.29559906788578 0.89798965800352 35.453 15 Cl 0.86182176172186 0.20440093211422 0.39798965800352 35.453 16 Cl 0.13817823827814 0.70440093211422 0.10201034199648 35.453 *17 Cl 0.38118450814587 0.99486449817555 0.11919202698582 35.453 18 Cl 0.58956973515512 0.24430331844537 0.60199539619631 35.453 19 Cl 0.61881549185413 0.00513550182445 0.88080797301418 35.453 20 Cl 0.38118450814587 0.50513550182445 0.61919202698582 35.453 21 Cl 0.61881549185413 0.49486449817555 0.38080797301418 35.453 22 Cl 0.41043026484488 0.75569668155463 0.39800460380369 35.453 23 Cl 0.41043026484488 0.74430331844537 0.89800460380369 35.453 24 Cl 0.62196739630790 0.81378950359165 0.13928315126498 35.453 *25 K 0.40261624399347 0.54770594845084 0.14260908625006 39.098 *26 K 0.18192200121402 0.42652505600182 0.73291487441013 39.098 27 K 0.81807799878598 0.92652505600182 0.76708512558987 39.098 28 K 0.81807799878598 0.57347494399818 0.26708512558987 39.098 *29 K 0.18124232671184 0.93253908457255 0.88495063589582 39.098 30 K 0.81875767328816 0.43253908457255 0.61504936410418 39.098 31 K 0.81875767328816 0.06746091542745 0.11504936410418 39.098 32 K 0.18124232671184 0.56746091542745 0.38495063589582 39.098 33 K 0.18192200121402 0.07347494399818 0.23291487441013 39.098 34 K 0.59738375600653 0.45229405154915 0.85739091374994 39.098 35 K 0.59738375600653 0.04770594845084 0.35739091374994 39.098 36 K 0.40261624399347 0.95229405154916 0.64260908625006 39.098 *37 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 38 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 *39 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 40 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906-------------------------------- unit cell ---------------------------------Lattice vectors: a 12.458005377681003 0.000000000000000 0.000000000000000 b 0.000000000000000 7.453813440000002 0.000000000000000 c -3.590282454147403 0.000000000000000 11.221746651745180Atomic positions (fractional): *1 Cl 0.58956973515512 0.25569668155463 0.10199539619631 35.453 > 1 *2 Cl 0.62196739630790 0.68621049640835 0.63928315126498 35.453 > 2 3 Cl 0.37803260369210 0.18621049640835 0.86071684873502 35.453 > 3 4 Cl 0.37803260369210 0.31378950359165 0.36071684873502 35.453 > 4 *5 Cl 0.99892860539159 0.12823442497958 0.68000343352712 35.453 > 5 6 Cl 0.00107139460841 0.62823442497958 0.81999656647288 35.453 > 6 7 Cl 0.00107139460841 0.87176557502042 0.31999656647288 35.453 > 7 8 Cl 0.99892860539159 0.37176557502042 0.18000343352712 35.453 > 8 *9 Cl 0.14754642795585 0.18988763367090 0.49396211177711 35.453 > 9 10 Cl 0.85245357204415 0.68988763367090 0.00603788822289 35.453 > 10 11 Cl 0.85245357204415 0.81011236632910 0.50603788822289 35.453 > 11 12 Cl 0.14754642795585 0.31011236632910 0.99396211177711 35.453 > 12 *13 Cl 0.13817823827814 0.79559906788578 0.60201034199648 35.453 > 13 14 Cl 0.86182176172186 0.29559906788578 0.89798965800352 35.453 > 14 15 Cl 0.86182176172186 0.20440093211422 0.39798965800352 35.453 > 15 16 Cl 0.13817823827814 0.70440093211422 0.10201034199648 35.453 > 16 *17 Cl 0.38118450814587 0.99486449817555 0.11919202698582 35.453 > 17 18 Cl 0.58956973515512 0.24430331844537 0.60199539619631 35.453 > 18 19 Cl 0.61881549185413 0.00513550182445 0.88080797301418 35.453 > 19 20 Cl 0.38118450814587 0.50513550182445 0.61919202698582 35.453 > 20 21 Cl 0.61881549185413 0.49486449817555 0.38080797301418 35.453 > 21 22 Cl 0.41043026484488 0.75569668155463 0.39800460380369 35.453 > 22 23 Cl 0.41043026484488 0.74430331844537 0.89800460380369 35.453 > 23 24 Cl 0.62196739630790 0.81378950359165 0.13928315126498 35.453 > 24 *25 K 0.40261624399347 0.54770594845084 0.14260908625006 39.098 > 25 *26 K 0.18192200121402 0.42652505600182 0.73291487441013 39.098 > 26 27 K 0.81807799878598 0.92652505600182 0.76708512558987 39.098 > 27 28 K 0.81807799878598 0.57347494399818 0.26708512558987 39.098 > 28 *29 K 0.18124232671184 0.93253908457255 0.88495063589582 39.098 > 29 30 K 0.81875767328816 0.43253908457255 0.61504936410418 39.098 > 30 31 K 0.81875767328816 0.06746091542745 0.11504936410418 39.098 > 31 32 K 0.18124232671184 0.56746091542745 0.38495063589582 39.098 > 32 33 K 0.18192200121402 0.07347494399818 0.23291487441013 39.098 > 33 34 K 0.59738375600653 0.45229405154915 0.85739091374994 39.098 > 34 35 K 0.59738375600653 0.04770594845084 0.35739091374994 39.098 > 35 36 K 0.40261624399347 0.95229405154916 0.64260908625006 39.098 > 36 *37 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 37 38 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 38 *39 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 39 40 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 40-------------------------------- super cell --------------------------------Lattice vectors: a 12.458005377681003 0.000000000000000 0.000000000000000 b 0.000000000000000 14.907626880000004 0.000000000000000 c -3.590282454147403 0.000000000000000 11.221746651745180Atomic positions (fractional): *1 Cl 0.58956973515512 0.12784834077732 0.10199539619631 35.453 > 1 2 Cl 0.58956973515512 0.62784834077732 0.10199539619631 35.453 > 1 *3 Cl 0.62196739630790 0.34310524820417 0.63928315126498 35.453 > 2 4 Cl 0.62196739630790 0.84310524820417 0.63928315126498 35.453 > 2 5 Cl 0.37803260369210 0.09310524820417 0.86071684873502 35.453 > 3 6 Cl 0.37803260369210 0.59310524820417 0.86071684873502 35.453 > 3 7 Cl 0.37803260369210 0.15689475179583 0.36071684873502 35.453 > 4 8 Cl 0.37803260369210 0.65689475179583 0.36071684873502 35.453 > 4 *9 Cl 0.99892860539159 0.06411721248979 0.68000343352712 35.453 > 5 10 Cl 0.99892860539159 0.56411721248979 0.68000343352712 35.453 > 5 11 Cl 0.00107139460841 0.31411721248979 0.81999656647288 35.453 > 6 12 Cl 0.00107139460841 0.81411721248979 0.81999656647288 35.453 > 6 13 Cl 0.00107139460841 0.43588278751021 0.31999656647288 35.453 > 7 14 Cl 0.00107139460841 0.93588278751021 0.31999656647288 35.453 > 7 15 Cl 0.99892860539159 0.18588278751021 0.18000343352712 35.453 > 8 16 Cl 0.99892860539159 0.68588278751021 0.18000343352712 35.453 > 8 *17 Cl 0.14754642795585 0.09494381683545 0.49396211177711 35.453 > 9 18 Cl 0.14754642795585 0.59494381683545 0.49396211177711 35.453 > 9 19 Cl 0.85245357204415 0.34494381683545 0.00603788822289 35.453 > 10 20 Cl 0.85245357204415 0.84494381683545 0.00603788822289 35.453 > 10 21 Cl 0.85245357204415 0.40505618316455 0.50603788822289 35.453 > 11 22 Cl 0.85245357204415 0.90505618316455 0.50603788822289 35.453 > 11 23 Cl 0.14754642795585 0.15505618316455 0.99396211177711 35.453 > 12 24 Cl 0.14754642795585 0.65505618316455 0.99396211177711 35.453 > 12 *25 Cl 0.13817823827814 0.39779953394289 0.60201034199648 35.453 > 13 26 Cl 0.13817823827814 0.89779953394289 0.60201034199648 35.453 > 13 27 Cl 0.86182176172186 0.14779953394289 0.89798965800352 35.453 > 14 28 Cl 0.86182176172186 0.64779953394289 0.89798965800352 35.453 > 14 29 Cl 0.86182176172186 0.10220046605711 0.39798965800352 35.453 > 15 30 Cl 0.86182176172186 0.60220046605711 0.39798965800352 35.453 > 15 31 Cl 0.13817823827814 0.35220046605711 0.10201034199648 35.453 > 16 32 Cl 0.13817823827814 0.85220046605711 0.10201034199648 35.453 > 16 *33 Cl 0.38118450814587 0.49743224908778 0.11919202698582 35.453 > 17 34 Cl 0.38118450814587 0.99743224908777 0.11919202698582 35.453 > 17 35 Cl 0.58956973515512 0.12215165922268 0.60199539619631 35.453 > 18 36 Cl 0.58956973515512 0.62215165922268 0.60199539619631 35.453 > 18 37 Cl 0.61881549185413 0.00256775091223 0.88080797301418 35.453 > 19 38 Cl 0.61881549185413 0.50256775091223 0.88080797301418 35.453 > 19 39 Cl 0.38118450814587 0.25256775091222 0.61919202698582 35.453 > 20 40 Cl 0.38118450814587 0.75256775091223 0.61919202698582 35.453 > 20 41 Cl 0.61881549185413 0.24743224908778 0.38080797301418 35.453 > 21 42 Cl 0.61881549185413 0.74743224908777 0.38080797301418 35.453 > 21 43 Cl 0.41043026484488 0.37784834077732 0.39800460380369 35.453 > 22 44 Cl 0.41043026484488 0.87784834077732 0.39800460380369 35.453 > 22 45 Cl 0.41043026484488 0.37215165922268 0.89800460380369 35.453 > 23 46 Cl 0.41043026484488 0.87215165922268 0.89800460380369 35.453 > 23 47 Cl 0.62196739630790 0.40689475179583 0.13928315126498 35.453 > 24 48 Cl 0.62196739630790 0.90689475179583 0.13928315126498 35.453 > 24 *49 K 0.40261624399347 0.27385297422542 0.14260908625006 39.098 > 25 50 K 0.40261624399347 0.77385297422542 0.14260908625006 39.098 > 25 *51 K 0.18192200121402 0.21326252800091 0.73291487441013 39.098 > 26 52 K 0.18192200121402 0.71326252800091 0.73291487441013 39.098 > 26 53 K 0.81807799878598 0.46326252800091 0.76708512558987 39.098 > 27 54 K 0.81807799878598 0.96326252800091 0.76708512558987 39.098 > 27 55 K 0.81807799878598 0.28673747199909 0.26708512558987 39.098 > 28 56 K 0.81807799878598 0.78673747199909 0.26708512558987 39.098 > 28 *57 K 0.18124232671184 0.46626954228627 0.88495063589582 39.098 > 29 58 K 0.18124232671184 0.96626954228627 0.88495063589582 39.098 > 29 59 K 0.81875767328816 0.21626954228627 0.61504936410418 39.098 > 30 60 K 0.81875767328816 0.71626954228627 0.61504936410418 39.098 > 30 61 K 0.81875767328816 0.03373045771373 0.11504936410418 39.098 > 31 62 K 0.81875767328816 0.53373045771373 0.11504936410418 39.098 > 31 63 K 0.18124232671184 0.28373045771373 0.38495063589582 39.098 > 32 64 K 0.18124232671184 0.78373045771373 0.38495063589582 39.098 > 32 65 K 0.18192200121402 0.03673747199909 0.23291487441013 39.098 > 33 66 K 0.18192200121402 0.53673747199909 0.23291487441013 39.098 > 33 67 K 0.59738375600653 0.22614702577458 0.85739091374994 39.098 > 34 68 K 0.59738375600653 0.72614702577458 0.85739091374994 39.098 > 34 69 K 0.59738375600653 0.02385297422542 0.35739091374994 39.098 > 35 70 K 0.59738375600653 0.52385297422542 0.35739091374994 39.098 > 35 71 K 0.40261624399347 0.47614702577458 0.64260908625006 39.098 > 36 72 K 0.40261624399347 0.97614702577458 0.64260908625006 39.098 > 36 *73 Rh 0.50000000000000 0.25000000000000 0.50000000000000 102.906 > 37 74 Rh 0.50000000000000 0.75000000000000 0.50000000000000 102.906 > 37 75 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 38 76 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 38 *77 Rh 0.00000000000000 0.25000000000000 0.00000000000000 102.906 > 39 78 Rh 0.00000000000000 0.75000000000000 0.00000000000000 102.906 > 39 79 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 40 80 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 40----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.3352682 0.0000000 -0.0263924 0.0000000 3.2345969 0.0000000 -0.0263919 0.0000000 3.2810803-------------------------- Born effective charges -------------------------- 1 Cl -0.6023664 -0.2144176 -0.1302892 -0.2654761 -1.1434225 -0.3436773 -0.1898528 -0.4313208 -0.7087884 2 Cl -0.7612734 -0.2373436 -0.2872258 -0.3392325 -0.8572129 -0.3931158 -0.4037388 -0.4340765 -0.9179973 3 Cl -0.7612734 0.2373436 -0.2872258 0.3392325 -0.8572129 0.3931158 -0.4037388 0.4340765 -0.9179973 4 Cl -0.7612734 -0.2373436 -0.2872258 -0.3392325 -0.8572129 -0.3931158 -0.4037388 -0.4340765 -0.9179973 5 Cl -0.5612417 0.0933207 0.2060687 0.1028950 -0.6661364 -0.3139044 0.1927309 -0.2863149 -1.1658579 6 Cl -0.5612417 -0.0933207 0.2060687 -0.1028950 -0.6661364 0.3139044 0.1927309 0.2863149 -1.1658579 7 Cl -0.5612417 0.0933207 0.2060687 0.1028950 -0.6661364 -0.3139044 0.1927309 -0.2863149 -1.1658579 8 Cl -0.5612417 -0.0933207 0.2060687 -0.1028950 -0.6661364 0.3139044 0.1927309 0.2863149 -1.1658579 9 Cl -1.0382380 -0.5572983 0.1122218 -0.4525433 -0.9065763 0.0775443 0.0296268 0.0318847 -0.5898987 10 Cl -1.0382380 0.5572983 0.1122218 0.4525433 -0.9065763 -0.0775443 0.0296268 -0.0318847 -0.5898987 11 Cl -1.0382380 -0.5572983 0.1122218 -0.4525433 -0.9065763 0.0775443 0.0296268 0.0318847 -0.5898987 12 Cl -1.0382380 0.5572983 0.1122218 0.4525433 -0.9065763 -0.0775443 0.0296268 -0.0318847 -0.5898987 13 Cl -0.8120960 0.4938535 -0.3311204 0.3556931 -0.9521483 0.3685129 -0.2047638 0.3636866 -0.8214971 14 Cl -0.8120960 -0.4938535 -0.3311204 -0.3556931 -0.9521483 -0.3685129 -0.2047638 -0.3636866 -0.8214971 15 Cl -0.8120960 0.4938535 -0.3311204 0.3556931 -0.9521483 0.3685129 -0.2047638 0.3636866 -0.8214971 16 Cl -0.8120960 -0.4938535 -0.3311204 -0.3556931 -0.9521483 -0.3685129 -0.2047638 -0.3636866 -0.8214971 17 Cl -1.3225155 0.0271621 0.4387971 -0.0665364 -0.4497664 0.0605311 0.5312902 -0.0307187 -0.8628404 18 Cl -0.6023664 0.2144176 -0.1302892 0.2654761 -1.1434225 0.3436773 -0.1898528 0.4313208 -0.7087884 19 Cl -1.3225155 0.0271621 0.4387971 -0.0665364 -0.4497664 0.0605311 0.5312902 -0.0307187 -0.8628404 20 Cl -1.3225155 -0.0271621 0.4387971 0.0665364 -0.4497664 -0.0605311 0.5312902 0.0307187 -0.8628404 21 Cl -1.3225155 -0.0271621 0.4387971 0.0665364 -0.4497664 -0.0605311 0.5312902 0.0307187 -0.8628404 22 Cl -0.6023664 0.2144176 -0.1302892 0.2654761 -1.1434225 0.3436773 -0.1898528 0.4313208 -0.7087884 23 Cl -0.6023664 -0.2144176 -0.1302892 -0.2654761 -1.1434225 -0.3436773 -0.1898528 -0.4313208 -0.7087884 24 Cl -0.7612734 0.2373436 -0.2872258 0.3392325 -0.8572129 0.3931158 -0.4037388 0.4340765 -0.9179973 25 K 1.1688313 0.0553133 -0.0087027 0.0212776 1.2485852 -0.1256505 -0.0381206 -0.1044697 1.2876814 26 K 1.3738295 -0.0444519 -0.0573048 0.0215756 1.3756324 0.0476297 -0.0666518 -0.0007903 1.2870446 27 K 1.3738295 0.0444519 -0.0573048 -0.0215756 1.3756324 -0.0476297 -0.0666518 0.0007903 1.2870446 28 K 1.3738295 -0.0444519 -0.0573048 0.0215756 1.3756324 0.0476297 -0.0666518 -0.0007903 1.2870446 29 K 1.3008830 0.0746882 0.0930916 0.1589673 1.1318767 0.0051063 0.1471949 -0.0594277 1.1781011 30 K 1.3008830 -0.0746882 0.0930916 -0.1589673 1.1318767 -0.0051063 0.1471949 0.0594277 1.1781011 31 K 1.3008830 0.0746882 0.0930916 0.1589673 1.1318767 0.0051063 0.1471949 -0.0594277 1.1781011 32 K 1.3008830 -0.0746882 0.0930916 -0.1589673 1.1318767 -0.0051063 0.1471949 0.0594277 1.1781011 33 K 1.3738295 0.0444519 -0.0573048 -0.0215756 1.3756324 -0.0476297 -0.0666518 0.0007903 1.2870446 34 K 1.1688313 0.0553133 -0.0087027 0.0212776 1.2485852 -0.1256505 -0.0381206 -0.1044697 1.2876814 35 K 1.1688313 -0.0553133 -0.0087027 -0.0212776 1.2485852 0.1256505 -0.0381206 0.1044697 1.2876814 36 K 1.1688313 -0.0553133 -0.0087027 -0.0212776 1.2485852 0.1256505 -0.0381206 0.1044697 1.2876814 37 Rh 1.0375783 0.0254507 -0.1522863 -0.1022831 1.1513288 0.0502327 -0.0330541 -0.0335207 1.2403108 38 Rh 1.0375783 -0.0254507 -0.1522863 0.1022831 1.1513288 -0.0502327 -0.0330541 0.0335207 1.2403108 39 Rh 1.4707961 0.0498148 0.0812138 0.0150672 1.2870081 0.0035417 0.0376242 -0.0073114 1.3877944 40 Rh 1.4707961 -0.0498148 0.0812138 -0.0150672 1.2870081 -0.0035417 0.0376242 0.0073114 1.3877944----------------------------------------------------------------------------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: 240/240Permutation basis: 14520/14520Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3708Number of blocks in projector: 3708Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 804Use 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: 804Use 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: 3 / 6 ---Block_size: 804Use 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: 4 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 432Use standard eigh solver.Tree of FC basis block matrices:- (3708, 3610), data: False|-- (432, 421), data: True|-- (432, 421), data: True|-- (432, 421), 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, 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-----Solver_atoms: 1 -- 80 / 80Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 1200 - Time: 1.764Solver_block: 200 / 1200 - Time: 1.386Solver_block: 300 / 1200 - Time: 0.650Solver_block: 400 / 1200 - Time: 1.161Solver_block: 500 / 1200 - Time: 0.715Solver_block: 600 / 1200 - Time: 0.616Solver_block: 700 / 1200 - Time: 1.086Solver_block: 800 / 1200 - Time: 1.098Solver_block: 900 / 1200 - Time: 0.795Solver_block: 1000 / 1200 - Time: 0.631Solver_block: 1100 / 1200 - Time: 0.844Solver_block: 1200 / 1200 - Time: 0.595Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.200--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240Permutation basis: 14520/14520Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3708Number of blocks in projector: 3708Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 804Use 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: 804Use 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: 3 / 6 ---Block_size: 804Use 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: 4 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 432Use standard eigh solver.Tree of FC basis block matrices:- (3708, 3610), data: False|-- (432, 421), data: True|-- (432, 421), data: True|-- (432, 421), 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, 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: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 07:36:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:36:02]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 12.458005377681003 0.000000000000000 0.000000000000000 b 0.000000000000000 7.453813440000002 0.000000000000000 c -3.590282454147403 0.000000000000000 11.221746651745180Atomic positions (fractional): 1 Cl 0.58956973515512 0.25569668155463 0.10199539619631 35.453 2 Cl 0.62196739630790 0.68621049640835 0.63928315126498 35.453 3 Cl 0.37803260369210 0.18621049640835 0.86071684873502 35.453 4 Cl 0.37803260369210 0.31378950359165 0.36071684873502 35.453 5 Cl 0.99892860539159 0.12823442497958 0.68000343352712 35.453 6 Cl 0.00107139460841 0.62823442497958 0.81999656647288 35.453 7 Cl 0.00107139460841 0.87176557502042 0.31999656647288 35.453 8 Cl 0.99892860539159 0.37176557502042 0.18000343352712 35.453 9 Cl 0.14754642795585 0.18988763367090 0.49396211177711 35.453 10 Cl 0.85245357204415 0.68988763367090 0.00603788822289 35.453 11 Cl 0.85245357204415 0.81011236632910 0.50603788822289 35.453 12 Cl 0.14754642795585 0.31011236632910 0.99396211177711 35.453 13 Cl 0.13817823827814 0.79559906788578 0.60201034199648 35.453 14 Cl 0.86182176172186 0.29559906788578 0.89798965800352 35.453 15 Cl 0.86182176172186 0.20440093211422 0.39798965800352 35.453 16 Cl 0.13817823827814 0.70440093211422 0.10201034199648 35.453 17 Cl 0.38118450814587 0.99486449817555 0.11919202698582 35.453 18 Cl 0.58956973515512 0.24430331844537 0.60199539619631 35.453 19 Cl 0.61881549185413 0.00513550182445 0.88080797301418 35.453 20 Cl 0.38118450814587 0.50513550182445 0.61919202698582 35.453 21 Cl 0.61881549185413 0.49486449817555 0.38080797301418 35.453 22 Cl 0.41043026484488 0.75569668155463 0.39800460380369 35.453 23 Cl 0.41043026484488 0.74430331844537 0.89800460380369 35.453 24 Cl 0.62196739630790 0.81378950359165 0.13928315126498 35.453 25 K 0.40261624399347 0.54770594845084 0.14260908625006 39.098 26 K 0.18192200121402 0.42652505600182 0.73291487441013 39.098 27 K 0.81807799878598 0.92652505600182 0.76708512558987 39.098 28 K 0.81807799878598 0.57347494399818 0.26708512558987 39.098 29 K 0.18124232671184 0.93253908457255 0.88495063589582 39.098 30 K 0.81875767328816 0.43253908457255 0.61504936410418 39.098 31 K 0.81875767328816 0.06746091542745 0.11504936410418 39.098 32 K 0.18124232671184 0.56746091542745 0.38495063589582 39.098 33 K 0.18192200121402 0.07347494399818 0.23291487441013 39.098 34 K 0.59738375600653 0.45229405154915 0.85739091374994 39.098 35 K 0.59738375600653 0.04770594845084 0.35739091374994 39.098 36 K 0.40261624399347 0.95229405154916 0.64260908625006 39.098 37 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 38 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 39 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 40 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906-------------------------------- supercell ---------------------------------Lattice vectors: a 12.458005377681003 0.000000000000000 0.000000000000000 b 0.000000000000000 14.907626880000004 0.000000000000000 c -3.590282454147403 0.000000000000000 11.221746651745180Atomic positions (fractional): 1 Cl 0.58956973515512 0.12784834077732 0.10199539619631 35.453 > 1 2 Cl 0.58956973515512 0.62784834077732 0.10199539619631 35.453 > 1 3 Cl 0.62196739630790 0.34310524820417 0.63928315126498 35.453 > 3 4 Cl 0.62196739630790 0.84310524820417 0.63928315126498 35.453 > 3 5 Cl 0.37803260369210 0.09310524820417 0.86071684873502 35.453 > 5 6 Cl 0.37803260369210 0.59310524820417 0.86071684873502 35.453 > 5 7 Cl 0.37803260369210 0.15689475179583 0.36071684873502 35.453 > 7 8 Cl 0.37803260369210 0.65689475179583 0.36071684873502 35.453 > 7 9 Cl 0.99892860539159 0.06411721248979 0.68000343352712 35.453 > 9 10 Cl 0.99892860539159 0.56411721248979 0.68000343352712 35.453 > 9 11 Cl 0.00107139460841 0.31411721248979 0.81999656647288 35.453 > 11 12 Cl 0.00107139460841 0.81411721248979 0.81999656647288 35.453 > 11 13 Cl 0.00107139460841 0.43588278751021 0.31999656647288 35.453 > 13 14 Cl 0.00107139460841 0.93588278751021 0.31999656647288 35.453 > 13 15 Cl 0.99892860539159 0.18588278751021 0.18000343352712 35.453 > 15 16 Cl 0.99892860539159 0.68588278751021 0.18000343352712 35.453 > 15 17 Cl 0.14754642795585 0.09494381683545 0.49396211177711 35.453 > 17 18 Cl 0.14754642795585 0.59494381683545 0.49396211177711 35.453 > 17 19 Cl 0.85245357204415 0.34494381683545 0.00603788822289 35.453 > 19 20 Cl 0.85245357204415 0.84494381683545 0.00603788822289 35.453 > 19 21 Cl 0.85245357204415 0.40505618316455 0.50603788822289 35.453 > 21 22 Cl 0.85245357204415 0.90505618316455 0.50603788822289 35.453 > 21 23 Cl 0.14754642795585 0.15505618316455 0.99396211177711 35.453 > 23 24 Cl 0.14754642795585 0.65505618316455 0.99396211177711 35.453 > 23 25 Cl 0.13817823827814 0.39779953394289 0.60201034199648 35.453 > 25 26 Cl 0.13817823827814 0.89779953394289 0.60201034199648 35.453 > 25 27 Cl 0.86182176172186 0.14779953394289 0.89798965800352 35.453 > 27 28 Cl 0.86182176172186 0.64779953394289 0.89798965800352 35.453 > 27 29 Cl 0.86182176172186 0.10220046605711 0.39798965800352 35.453 > 29 30 Cl 0.86182176172186 0.60220046605711 0.39798965800352 35.453 > 29 31 Cl 0.13817823827814 0.35220046605711 0.10201034199648 35.453 > 31 32 Cl 0.13817823827814 0.85220046605711 0.10201034199648 35.453 > 31 33 Cl 0.38118450814587 0.49743224908778 0.11919202698582 35.453 > 33 34 Cl 0.38118450814587 0.99743224908777 0.11919202698582 35.453 > 33 35 Cl 0.58956973515512 0.12215165922268 0.60199539619631 35.453 > 35 36 Cl 0.58956973515512 0.62215165922268 0.60199539619631 35.453 > 35 37 Cl 0.61881549185413 0.00256775091223 0.88080797301418 35.453 > 37 38 Cl 0.61881549185413 0.50256775091223 0.88080797301418 35.453 > 37 39 Cl 0.38118450814587 0.25256775091222 0.61919202698582 35.453 > 39 40 Cl 0.38118450814587 0.75256775091223 0.61919202698582 35.453 > 39 41 Cl 0.61881549185413 0.24743224908778 0.38080797301418 35.453 > 41 42 Cl 0.61881549185413 0.74743224908777 0.38080797301418 35.453 > 41 43 Cl 0.41043026484488 0.37784834077732 0.39800460380369 35.453 > 43 44 Cl 0.41043026484488 0.87784834077732 0.39800460380369 35.453 > 43 45 Cl 0.41043026484488 0.37215165922268 0.89800460380369 35.453 > 45 46 Cl 0.41043026484488 0.87215165922268 0.89800460380369 35.453 > 45 47 Cl 0.62196739630790 0.40689475179583 0.13928315126498 35.453 > 47 48 Cl 0.62196739630790 0.90689475179583 0.13928315126498 35.453 > 47 49 K 0.40261624399347 0.27385297422542 0.14260908625006 39.098 > 49 50 K 0.40261624399347 0.77385297422542 0.14260908625006 39.098 > 49 51 K 0.18192200121402 0.21326252800091 0.73291487441013 39.098 > 51 52 K 0.18192200121402 0.71326252800091 0.73291487441013 39.098 > 51 53 K 0.81807799878598 0.46326252800091 0.76708512558987 39.098 > 53 54 K 0.81807799878598 0.96326252800091 0.76708512558987 39.098 > 53 55 K 0.81807799878598 0.28673747199909 0.26708512558987 39.098 > 55 56 K 0.81807799878598 0.78673747199909 0.26708512558987 39.098 > 55 57 K 0.18124232671184 0.46626954228627 0.88495063589582 39.098 > 57 58 K 0.18124232671184 0.96626954228627 0.88495063589582 39.098 > 57 59 K 0.81875767328816 0.21626954228627 0.61504936410418 39.098 > 59 60 K 0.81875767328816 0.71626954228627 0.61504936410418 39.098 > 59 61 K 0.81875767328816 0.03373045771373 0.11504936410418 39.098 > 61 62 K 0.81875767328816 0.53373045771373 0.11504936410418 39.098 > 61 63 K 0.18124232671184 0.28373045771373 0.38495063589582 39.098 > 63 64 K 0.18124232671184 0.78373045771373 0.38495063589582 39.098 > 63 65 K 0.18192200121402 0.03673747199909 0.23291487441013 39.098 > 65 66 K 0.18192200121402 0.53673747199909 0.23291487441013 39.098 > 65 67 K 0.59738375600653 0.22614702577458 0.85739091374994 39.098 > 67 68 K 0.59738375600653 0.72614702577458 0.85739091374994 39.098 > 67 69 K 0.59738375600653 0.02385297422542 0.35739091374994 39.098 > 69 70 K 0.59738375600653 0.52385297422542 0.35739091374994 39.098 > 69 71 K 0.40261624399347 0.47614702577458 0.64260908625006 39.098 > 71 72 K 0.40261624399347 0.97614702577458 0.64260908625006 39.098 > 71 73 Rh 0.50000000000000 0.25000000000000 0.50000000000000 102.906 > 73 74 Rh 0.50000000000000 0.75000000000000 0.50000000000000 102.906 > 73 75 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 75 76 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 75 77 Rh 0.00000000000000 0.25000000000000 0.00000000000000 102.906 > 77 78 Rh 0.00000000000000 0.75000000000000 0.00000000000000 102.906 > 77 79 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 79 80 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.3352682 0.0000000 -0.0263924 0.0000000 3.2345969 0.0000000 -0.0263919 0.0000000 3.2810803-------------------------- Born effective charges -------------------------- 1 Cl -0.6023664 -0.2144176 -0.1302892 -0.2654761 -1.1434225 -0.3436773 -0.1898528 -0.4313208 -0.7087884 2 Cl -0.7612734 -0.2373436 -0.2872258 -0.3392325 -0.8572129 -0.3931158 -0.4037388 -0.4340765 -0.9179973 3 Cl -0.7612734 0.2373436 -0.2872258 0.3392325 -0.8572129 0.3931158 -0.4037388 0.4340765 -0.9179973 4 Cl -0.7612734 -0.2373436 -0.2872258 -0.3392325 -0.8572129 -0.3931158 -0.4037388 -0.4340765 -0.9179973 5 Cl -0.5612417 0.0933207 0.2060687 0.1028950 -0.6661364 -0.3139044 0.1927309 -0.2863149 -1.1658579 6 Cl -0.5612417 -0.0933207 0.2060687 -0.1028950 -0.6661364 0.3139044 0.1927309 0.2863149 -1.1658579 7 Cl -0.5612417 0.0933207 0.2060687 0.1028950 -0.6661364 -0.3139044 0.1927309 -0.2863149 -1.1658579 8 Cl -0.5612417 -0.0933207 0.2060687 -0.1028950 -0.6661364 0.3139044 0.1927309 0.2863149 -1.1658579 9 Cl -1.0382380 -0.5572983 0.1122218 -0.4525433 -0.9065763 0.0775443 0.0296268 0.0318847 -0.5898987 10 Cl -1.0382380 0.5572983 0.1122218 0.4525433 -0.9065763 -0.0775443 0.0296268 -0.0318847 -0.5898987 11 Cl -1.0382380 -0.5572983 0.1122218 -0.4525433 -0.9065763 0.0775443 0.0296268 0.0318847 -0.5898987 12 Cl -1.0382380 0.5572983 0.1122218 0.4525433 -0.9065763 -0.0775443 0.0296268 -0.0318847 -0.5898987 13 Cl -0.8120960 0.4938535 -0.3311204 0.3556931 -0.9521483 0.3685129 -0.2047638 0.3636866 -0.8214971 14 Cl -0.8120960 -0.4938535 -0.3311204 -0.3556931 -0.9521483 -0.3685129 -0.2047638 -0.3636866 -0.8214971 15 Cl -0.8120960 0.4938535 -0.3311204 0.3556931 -0.9521483 0.3685129 -0.2047638 0.3636866 -0.8214971 16 Cl -0.8120960 -0.4938535 -0.3311204 -0.3556931 -0.9521483 -0.3685129 -0.2047638 -0.3636866 -0.8214971 17 Cl -1.3225155 0.0271621 0.4387971 -0.0665364 -0.4497664 0.0605311 0.5312902 -0.0307187 -0.8628404 18 Cl -0.6023664 0.2144176 -0.1302892 0.2654761 -1.1434225 0.3436773 -0.1898528 0.4313208 -0.7087884 19 Cl -1.3225155 0.0271621 0.4387971 -0.0665364 -0.4497664 0.0605311 0.5312902 -0.0307187 -0.8628404 20 Cl -1.3225155 -0.0271621 0.4387971 0.0665364 -0.4497664 -0.0605311 0.5312902 0.0307187 -0.8628404 21 Cl -1.3225155 -0.0271621 0.4387971 0.0665364 -0.4497664 -0.0605311 0.5312902 0.0307187 -0.8628404 22 Cl -0.6023664 0.2144176 -0.1302892 0.2654761 -1.1434225 0.3436773 -0.1898528 0.4313208 -0.7087884 23 Cl -0.6023664 -0.2144176 -0.1302892 -0.2654761 -1.1434225 -0.3436773 -0.1898528 -0.4313208 -0.7087884 24 Cl -0.7612734 0.2373436 -0.2872258 0.3392325 -0.8572129 0.3931158 -0.4037388 0.4340765 -0.9179973 25 K 1.1688313 0.0553133 -0.0087027 0.0212776 1.2485852 -0.1256505 -0.0381206 -0.1044697 1.2876814 26 K 1.3738295 -0.0444519 -0.0573048 0.0215756 1.3756324 0.0476297 -0.0666518 -0.0007903 1.2870446 27 K 1.3738295 0.0444519 -0.0573048 -0.0215756 1.3756324 -0.0476297 -0.0666518 0.0007903 1.2870446 28 K 1.3738295 -0.0444519 -0.0573048 0.0215756 1.3756324 0.0476297 -0.0666518 -0.0007903 1.2870446 29 K 1.3008830 0.0746882 0.0930916 0.1589673 1.1318767 0.0051063 0.1471949 -0.0594277 1.1781011 30 K 1.3008830 -0.0746882 0.0930916 -0.1589673 1.1318767 -0.0051063 0.1471949 0.0594277 1.1781011 31 K 1.3008830 0.0746882 0.0930916 0.1589673 1.1318767 0.0051063 0.1471949 -0.0594277 1.1781011 32 K 1.3008830 -0.0746882 0.0930916 -0.1589673 1.1318767 -0.0051063 0.1471949 0.0594277 1.1781011 33 K 1.3738295 0.0444519 -0.0573048 -0.0215756 1.3756324 -0.0476297 -0.0666518 0.0007903 1.2870446 34 K 1.1688313 0.0553133 -0.0087027 0.0212776 1.2485852 -0.1256505 -0.0381206 -0.1044697 1.2876814 35 K 1.1688313 -0.0553133 -0.0087027 -0.0212776 1.2485852 0.1256505 -0.0381206 0.1044697 1.2876814 36 K 1.1688313 -0.0553133 -0.0087027 -0.0212776 1.2485852 0.1256505 -0.0381206 0.1044697 1.2876814 37 Rh 1.0375783 0.0254507 -0.1522863 -0.1022831 1.1513288 0.0502327 -0.0330541 -0.0335207 1.2403108 38 Rh 1.0375783 -0.0254507 -0.1522863 0.1022831 1.1513288 -0.0502327 -0.0330541 0.0335207 1.2403108 39 Rh 1.4707961 0.0498148 0.0812138 0.0150672 1.2870081 0.0035417 0.0376242 -0.0073114 1.3877944 40 Rh 1.4707961 -0.0498148 0.0812138 -0.0150672 1.2870081 -0.0035417 0.0376242 0.0073114 1.3877944----------------------------------------------------------------------------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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095]Computing fc3[ 3, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095]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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095]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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095]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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095]Computing fc3[ 51, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095]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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095]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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095]Computing fc3[ 77, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)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): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 07:36:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:36:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 12.458005377681003 0.000000000000000 0.000000000000000 b 0.000000000000000 7.453813440000002 0.000000000000000 c -3.590282454147403 0.000000000000000 11.221746651745180Atomic positions (fractional): 1 Cl 0.58956973515512 0.25569668155463 0.10199539619631 35.453 2 Cl 0.62196739630790 0.68621049640835 0.63928315126498 35.453 3 Cl 0.37803260369210 0.18621049640835 0.86071684873502 35.453 4 Cl 0.37803260369210 0.31378950359165 0.36071684873502 35.453 5 Cl 0.99892860539159 0.12823442497958 0.68000343352712 35.453 6 Cl 0.00107139460841 0.62823442497958 0.81999656647288 35.453 7 Cl 0.00107139460841 0.87176557502042 0.31999656647288 35.453 8 Cl 0.99892860539159 0.37176557502042 0.18000343352712 35.453 9 Cl 0.14754642795585 0.18988763367090 0.49396211177711 35.453 10 Cl 0.85245357204415 0.68988763367090 0.00603788822289 35.453 11 Cl 0.85245357204415 0.81011236632910 0.50603788822289 35.453 12 Cl 0.14754642795585 0.31011236632910 0.99396211177711 35.453 13 Cl 0.13817823827814 0.79559906788578 0.60201034199648 35.453 14 Cl 0.86182176172186 0.29559906788578 0.89798965800352 35.453 15 Cl 0.86182176172186 0.20440093211422 0.39798965800352 35.453 16 Cl 0.13817823827814 0.70440093211422 0.10201034199648 35.453 17 Cl 0.38118450814587 0.99486449817555 0.11919202698582 35.453 18 Cl 0.58956973515512 0.24430331844537 0.60199539619631 35.453 19 Cl 0.61881549185413 0.00513550182445 0.88080797301418 35.453 20 Cl 0.38118450814587 0.50513550182445 0.61919202698582 35.453 21 Cl 0.61881549185413 0.49486449817555 0.38080797301418 35.453 22 Cl 0.41043026484488 0.75569668155463 0.39800460380369 35.453 23 Cl 0.41043026484488 0.74430331844537 0.89800460380369 35.453 24 Cl 0.62196739630790 0.81378950359165 0.13928315126498 35.453 25 K 0.40261624399347 0.54770594845084 0.14260908625006 39.098 26 K 0.18192200121402 0.42652505600182 0.73291487441013 39.098 27 K 0.81807799878598 0.92652505600182 0.76708512558987 39.098 28 K 0.81807799878598 0.57347494399818 0.26708512558987 39.098 29 K 0.18124232671184 0.93253908457255 0.88495063589582 39.098 30 K 0.81875767328816 0.43253908457255 0.61504936410418 39.098 31 K 0.81875767328816 0.06746091542745 0.11504936410418 39.098 32 K 0.18124232671184 0.56746091542745 0.38495063589582 39.098 33 K 0.18192200121402 0.07347494399818 0.23291487441013 39.098 34 K 0.59738375600653 0.45229405154915 0.85739091374994 39.098 35 K 0.59738375600653 0.04770594845084 0.35739091374994 39.098 36 K 0.40261624399347 0.95229405154916 0.64260908625006 39.098 37 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 38 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 39 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 40 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906-------------------------------- supercell ---------------------------------Lattice vectors: a 12.458005377681003 0.000000000000000 0.000000000000000 b 0.000000000000000 14.907626880000004 0.000000000000000 c -3.590282454147403 0.000000000000000 11.221746651745180Atomic positions (fractional): 1 Cl 0.58956973515512 0.12784834077732 0.10199539619631 35.453 > 1 2 Cl 0.58956973515512 0.62784834077732 0.10199539619631 35.453 > 1 3 Cl 0.62196739630790 0.34310524820417 0.63928315126498 35.453 > 3 4 Cl 0.62196739630790 0.84310524820417 0.63928315126498 35.453 > 3 5 Cl 0.37803260369210 0.09310524820417 0.86071684873502 35.453 > 5 6 Cl 0.37803260369210 0.59310524820417 0.86071684873502 35.453 > 5 7 Cl 0.37803260369210 0.15689475179583 0.36071684873502 35.453 > 7 8 Cl 0.37803260369210 0.65689475179583 0.36071684873502 35.453 > 7 9 Cl 0.99892860539159 0.06411721248979 0.68000343352712 35.453 > 9 10 Cl 0.99892860539159 0.56411721248979 0.68000343352712 35.453 > 9 11 Cl 0.00107139460841 0.31411721248979 0.81999656647288 35.453 > 11 12 Cl 0.00107139460841 0.81411721248979 0.81999656647288 35.453 > 11 13 Cl 0.00107139460841 0.43588278751021 0.31999656647288 35.453 > 13 14 Cl 0.00107139460841 0.93588278751021 0.31999656647288 35.453 > 13 15 Cl 0.99892860539159 0.18588278751021 0.18000343352712 35.453 > 15 16 Cl 0.99892860539159 0.68588278751021 0.18000343352712 35.453 > 15 17 Cl 0.14754642795585 0.09494381683545 0.49396211177711 35.453 > 17 18 Cl 0.14754642795585 0.59494381683545 0.49396211177711 35.453 > 17 19 Cl 0.85245357204415 0.34494381683545 0.00603788822289 35.453 > 19 20 Cl 0.85245357204415 0.84494381683545 0.00603788822289 35.453 > 19 21 Cl 0.85245357204415 0.40505618316455 0.50603788822289 35.453 > 21 22 Cl 0.85245357204415 0.90505618316455 0.50603788822289 35.453 > 21 23 Cl 0.14754642795585 0.15505618316455 0.99396211177711 35.453 > 23 24 Cl 0.14754642795585 0.65505618316455 0.99396211177711 35.453 > 23 25 Cl 0.13817823827814 0.39779953394289 0.60201034199648 35.453 > 25 26 Cl 0.13817823827814 0.89779953394289 0.60201034199648 35.453 > 25 27 Cl 0.86182176172186 0.14779953394289 0.89798965800352 35.453 > 27 28 Cl 0.86182176172186 0.64779953394289 0.89798965800352 35.453 > 27 29 Cl 0.86182176172186 0.10220046605711 0.39798965800352 35.453 > 29 30 Cl 0.86182176172186 0.60220046605711 0.39798965800352 35.453 > 29 31 Cl 0.13817823827814 0.35220046605711 0.10201034199648 35.453 > 31 32 Cl 0.13817823827814 0.85220046605711 0.10201034199648 35.453 > 31 33 Cl 0.38118450814587 0.49743224908778 0.11919202698582 35.453 > 33 34 Cl 0.38118450814587 0.99743224908777 0.11919202698582 35.453 > 33 35 Cl 0.58956973515512 0.12215165922268 0.60199539619631 35.453 > 35 36 Cl 0.58956973515512 0.62215165922268 0.60199539619631 35.453 > 35 37 Cl 0.61881549185413 0.00256775091223 0.88080797301418 35.453 > 37 38 Cl 0.61881549185413 0.50256775091223 0.88080797301418 35.453 > 37 39 Cl 0.38118450814587 0.25256775091222 0.61919202698582 35.453 > 39 40 Cl 0.38118450814587 0.75256775091223 0.61919202698582 35.453 > 39 41 Cl 0.61881549185413 0.24743224908778 0.38080797301418 35.453 > 41 42 Cl 0.61881549185413 0.74743224908777 0.38080797301418 35.453 > 41 43 Cl 0.41043026484488 0.37784834077732 0.39800460380369 35.453 > 43 44 Cl 0.41043026484488 0.87784834077732 0.39800460380369 35.453 > 43 45 Cl 0.41043026484488 0.37215165922268 0.89800460380369 35.453 > 45 46 Cl 0.41043026484488 0.87215165922268 0.89800460380369 35.453 > 45 47 Cl 0.62196739630790 0.40689475179583 0.13928315126498 35.453 > 47 48 Cl 0.62196739630790 0.90689475179583 0.13928315126498 35.453 > 47 49 K 0.40261624399347 0.27385297422542 0.14260908625006 39.098 > 49 50 K 0.40261624399347 0.77385297422542 0.14260908625006 39.098 > 49 51 K 0.18192200121402 0.21326252800091 0.73291487441013 39.098 > 51 52 K 0.18192200121402 0.71326252800091 0.73291487441013 39.098 > 51 53 K 0.81807799878598 0.46326252800091 0.76708512558987 39.098 > 53 54 K 0.81807799878598 0.96326252800091 0.76708512558987 39.098 > 53 55 K 0.81807799878598 0.28673747199909 0.26708512558987 39.098 > 55 56 K 0.81807799878598 0.78673747199909 0.26708512558987 39.098 > 55 57 K 0.18124232671184 0.46626954228627 0.88495063589582 39.098 > 57 58 K 0.18124232671184 0.96626954228627 0.88495063589582 39.098 > 57 59 K 0.81875767328816 0.21626954228627 0.61504936410418 39.098 > 59 60 K 0.81875767328816 0.71626954228627 0.61504936410418 39.098 > 59 61 K 0.81875767328816 0.03373045771373 0.11504936410418 39.098 > 61 62 K 0.81875767328816 0.53373045771373 0.11504936410418 39.098 > 61 63 K 0.18124232671184 0.28373045771373 0.38495063589582 39.098 > 63 64 K 0.18124232671184 0.78373045771373 0.38495063589582 39.098 > 63 65 K 0.18192200121402 0.03673747199909 0.23291487441013 39.098 > 65 66 K 0.18192200121402 0.53673747199909 0.23291487441013 39.098 > 65 67 K 0.59738375600653 0.22614702577458 0.85739091374994 39.098 > 67 68 K 0.59738375600653 0.72614702577458 0.85739091374994 39.098 > 67 69 K 0.59738375600653 0.02385297422542 0.35739091374994 39.098 > 69 70 K 0.59738375600653 0.52385297422542 0.35739091374994 39.098 > 69 71 K 0.40261624399347 0.47614702577458 0.64260908625006 39.098 > 71 72 K 0.40261624399347 0.97614702577458 0.64260908625006 39.098 > 71 73 Rh 0.50000000000000 0.25000000000000 0.50000000000000 102.906 > 73 74 Rh 0.50000000000000 0.75000000000000 0.50000000000000 102.906 > 73 75 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 75 76 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 75 77 Rh 0.00000000000000 0.25000000000000 0.00000000000000 102.906 > 77 78 Rh 0.00000000000000 0.75000000000000 0.00000000000000 102.906 > 77 79 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 79 80 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.3352682 0.0000000 -0.0263924 0.0000000 3.2345969 0.0000000 -0.0263919 0.0000000 3.2810803-------------------------- Born effective charges -------------------------- 1 Cl -0.6023664 -0.2144176 -0.1302892 -0.2654761 -1.1434225 -0.3436773 -0.1898528 -0.4313208 -0.7087884 2 Cl -0.7612734 -0.2373436 -0.2872258 -0.3392325 -0.8572129 -0.3931158 -0.4037388 -0.4340765 -0.9179973 3 Cl -0.7612734 0.2373436 -0.2872258 0.3392325 -0.8572129 0.3931158 -0.4037388 0.4340765 -0.9179973 4 Cl -0.7612734 -0.2373436 -0.2872258 -0.3392325 -0.8572129 -0.3931158 -0.4037388 -0.4340765 -0.9179973 5 Cl -0.5612417 0.0933207 0.2060687 0.1028950 -0.6661364 -0.3139044 0.1927309 -0.2863149 -1.1658579 6 Cl -0.5612417 -0.0933207 0.2060687 -0.1028950 -0.6661364 0.3139044 0.1927309 0.2863149 -1.1658579 7 Cl -0.5612417 0.0933207 0.2060687 0.1028950 -0.6661364 -0.3139044 0.1927309 -0.2863149 -1.1658579 8 Cl -0.5612417 -0.0933207 0.2060687 -0.1028950 -0.6661364 0.3139044 0.1927309 0.2863149 -1.1658579 9 Cl -1.0382380 -0.5572983 0.1122218 -0.4525433 -0.9065763 0.0775443 0.0296268 0.0318847 -0.5898987 10 Cl -1.0382380 0.5572983 0.1122218 0.4525433 -0.9065763 -0.0775443 0.0296268 -0.0318847 -0.5898987 11 Cl -1.0382380 -0.5572983 0.1122218 -0.4525433 -0.9065763 0.0775443 0.0296268 0.0318847 -0.5898987 12 Cl -1.0382380 0.5572983 0.1122218 0.4525433 -0.9065763 -0.0775443 0.0296268 -0.0318847 -0.5898987 13 Cl -0.8120960 0.4938535 -0.3311204 0.3556931 -0.9521483 0.3685129 -0.2047638 0.3636866 -0.8214971 14 Cl -0.8120960 -0.4938535 -0.3311204 -0.3556931 -0.9521483 -0.3685129 -0.2047638 -0.3636866 -0.8214971 15 Cl -0.8120960 0.4938535 -0.3311204 0.3556931 -0.9521483 0.3685129 -0.2047638 0.3636866 -0.8214971 16 Cl -0.8120960 -0.4938535 -0.3311204 -0.3556931 -0.9521483 -0.3685129 -0.2047638 -0.3636866 -0.8214971 17 Cl -1.3225155 0.0271621 0.4387971 -0.0665364 -0.4497664 0.0605311 0.5312902 -0.0307187 -0.8628404 18 Cl -0.6023664 0.2144176 -0.1302892 0.2654761 -1.1434225 0.3436773 -0.1898528 0.4313208 -0.7087884 19 Cl -1.3225155 0.0271621 0.4387971 -0.0665364 -0.4497664 0.0605311 0.5312902 -0.0307187 -0.8628404 20 Cl -1.3225155 -0.0271621 0.4387971 0.0665364 -0.4497664 -0.0605311 0.5312902 0.0307187 -0.8628404 21 Cl -1.3225155 -0.0271621 0.4387971 0.0665364 -0.4497664 -0.0605311 0.5312902 0.0307187 -0.8628404 22 Cl -0.6023664 0.2144176 -0.1302892 0.2654761 -1.1434225 0.3436773 -0.1898528 0.4313208 -0.7087884 23 Cl -0.6023664 -0.2144176 -0.1302892 -0.2654761 -1.1434225 -0.3436773 -0.1898528 -0.4313208 -0.7087884 24 Cl -0.7612734 0.2373436 -0.2872258 0.3392325 -0.8572129 0.3931158 -0.4037388 0.4340765 -0.9179973 25 K 1.1688313 0.0553133 -0.0087027 0.0212776 1.2485852 -0.1256505 -0.0381206 -0.1044697 1.2876814 26 K 1.3738295 -0.0444519 -0.0573048 0.0215756 1.3756324 0.0476297 -0.0666518 -0.0007903 1.2870446 27 K 1.3738295 0.0444519 -0.0573048 -0.0215756 1.3756324 -0.0476297 -0.0666518 0.0007903 1.2870446 28 K 1.3738295 -0.0444519 -0.0573048 0.0215756 1.3756324 0.0476297 -0.0666518 -0.0007903 1.2870446 29 K 1.3008830 0.0746882 0.0930916 0.1589673 1.1318767 0.0051063 0.1471949 -0.0594277 1.1781011 30 K 1.3008830 -0.0746882 0.0930916 -0.1589673 1.1318767 -0.0051063 0.1471949 0.0594277 1.1781011 31 K 1.3008830 0.0746882 0.0930916 0.1589673 1.1318767 0.0051063 0.1471949 -0.0594277 1.1781011 32 K 1.3008830 -0.0746882 0.0930916 -0.1589673 1.1318767 -0.0051063 0.1471949 0.0594277 1.1781011 33 K 1.3738295 0.0444519 -0.0573048 -0.0215756 1.3756324 -0.0476297 -0.0666518 0.0007903 1.2870446 34 K 1.1688313 0.0553133 -0.0087027 0.0212776 1.2485852 -0.1256505 -0.0381206 -0.1044697 1.2876814 35 K 1.1688313 -0.0553133 -0.0087027 -0.0212776 1.2485852 0.1256505 -0.0381206 0.1044697 1.2876814 36 K 1.1688313 -0.0553133 -0.0087027 -0.0212776 1.2485852 0.1256505 -0.0381206 0.1044697 1.2876814 37 Rh 1.0375783 0.0254507 -0.1522863 -0.1022831 1.1513288 0.0502327 -0.0330541 -0.0335207 1.2403108 38 Rh 1.0375783 -0.0254507 -0.1522863 0.1022831 1.1513288 -0.0502327 -0.0330541 0.0335207 1.2403108 39 Rh 1.4707961 0.0498148 0.0812138 0.0150672 1.2870081 0.0035417 0.0376242 -0.0073114 1.3877944 40 Rh 1.4707961 -0.0498148 0.0812138 -0.0150672 1.2870081 -0.0035417 0.0376242 0.0073114 1.3877944----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 4 7 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: 0.41, Number of G-points: 291, Lambda: 0.08Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/40) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.204 ( 0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.311 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.789 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.901 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 2.043 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.491 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.513 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 8.755 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 9.052 ( 0.000 0.000 0.000) 0.000 9.087 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.375 ( 0.000 0.000 0.000) 0.000 9.447 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 9.675 ( 0.000 0.000 0.000) 0.000 9.702 ( 0.000 0.000 0.000) 0.000 9.941 ( 0.000 0.000 0.000) 0.000 9.967 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/40) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.348 ( 17.093 0.000 1.428) 17.153 0.355 ( 16.303 0.000 4.517) 16.918 0.722 ( 29.230 0.000 10.143) 30.940 1.009 ( -9.887 0.000 -2.774) 10.269 1.070 ( -10.944 0.000 -3.782) 11.579 1.190 ( -1.887 0.000 0.368) 1.923 1.295 ( 1.206 0.000 1.596) 2.000 1.305 ( 0.763 0.000 -1.051) 1.299 1.337 ( 0.705 0.000 2.705) 2.795 1.492 ( 2.553 0.000 -1.180) 2.813 1.510 ( 3.070 0.000 -4.149) 5.161 1.562 ( -2.405 0.000 5.710) 6.195 1.680 ( 0.526 0.000 -4.278) 4.310 1.691 ( -7.910 0.000 4.163) 8.939 1.757 ( -2.608 0.000 4.135) 4.889 1.796 ( -1.597 0.000 -0.920) 1.843 1.858 ( 1.178 0.000 -4.278) 4.438 1.884 ( -6.738 0.000 -3.348) 7.524 1.931 ( 1.315 0.000 0.720) 1.499 1.952 ( 2.873 0.000 1.413) 3.201 2.078 ( 3.280 0.000 0.846) 3.388 2.085 ( -1.035 0.000 2.079) 2.323 2.125 ( -3.496 0.000 -3.642) 5.049 2.165 ( -4.967 0.000 1.066) 5.080 2.254 ( 2.964 0.000 0.065) 2.965 2.298 ( 1.480 0.000 1.066) 1.823 2.301 ( -0.033 0.000 0.363) 0.364 2.326 ( -2.043 0.000 -0.519) 2.108 2.360 ( 0.201 0.000 0.754) 0.780 2.454 ( -2.366 0.000 -0.714) 2.472 2.507 ( -0.676 0.000 -4.184) 4.238 2.562 ( 0.074 0.000 4.937) 4.938 2.583 ( -2.646 0.000 -0.311) 2.665 2.671 ( 0.469 0.000 -0.311) 0.563 2.741 ( -2.319 0.000 -0.225) 2.330 2.822 ( 1.865 0.000 -1.433) 2.352 2.876 ( 1.838 0.000 -1.151) 2.169 2.891 ( -0.924 0.000 -0.646) 1.127 3.016 ( 2.344 0.000 -1.028) 2.560 3.043 ( 2.841 0.000 0.315) 2.859 3.058 ( 3.113 0.000 3.203) 4.466 3.137 ( -0.649 0.000 1.103) 1.280 3.144 ( 2.218 0.000 -3.186) 3.882 3.176 ( -0.137 0.000 -0.360) 0.385 3.189 ( 0.905 0.000 -4.453) 4.544 3.298 ( 4.172 0.000 1.897) 4.583 3.339 ( 1.307 0.000 1.187) 1.766 3.400 ( 0.775 0.000 3.060) 3.156 3.416 ( 1.545 0.000 2.296) 2.768 3.491 ( -0.380 0.000 -0.447) 0.586 3.539 ( -4.617 0.000 -1.273) 4.789 3.608 ( 1.380 0.000 0.890) 1.642 3.627 ( -3.422 0.000 -3.154) 4.654 3.645 ( -8.822 0.000 -2.298) 9.116 3.792 ( -2.730 0.000 1.226) 2.993 3.805 ( 1.306 0.000 -1.220) 1.787 3.922 ( 2.088 0.000 0.455) 2.137 3.948 ( -2.818 0.000 -1.660) 3.270 3.994 ( 0.150 0.000 -1.980) 1.985 4.076 ( 0.485 0.000 0.125) 0.501 4.089 ( -2.667 0.000 0.995) 2.847 4.215 ( -0.316 0.000 -0.321) 0.450 4.272 ( 4.282 0.000 0.848) 4.365 4.282 ( 2.228 0.000 1.794) 2.860 4.291 ( 0.660 0.000 -0.130) 0.673 4.309 ( 0.174 0.000 -0.287) 0.336 4.394 ( 0.041 0.000 -0.735) 0.737 4.404 ( -1.358 0.000 0.850) 1.602 4.463 ( -1.225 0.000 -1.491) 1.930 4.490 ( 1.638 0.000 0.486) 1.708 4.507 ( 1.161 0.000 1.436) 1.846 4.513 ( -0.179 0.000 -0.631) 0.656 4.636 ( 8.089 0.000 2.983) 8.622 4.675 ( -0.729 0.000 -0.463) 0.864 4.767 ( 0.147 0.000 -0.051) 0.155 4.826 ( -0.175 0.000 -1.001) 1.016 4.866 ( 0.424 0.000 1.159) 1.234 5.068 ( 2.711 0.000 1.229) 2.977 5.068 ( -3.892 0.000 -1.612) 4.213 5.148 ( 0.059 0.000 -0.057) 0.082 5.192 ( -2.169 0.000 1.429) 2.597 5.212 ( 0.178 0.000 0.052) 0.185 5.262 ( 0.624 0.000 1.031) 1.206 5.276 ( 1.329 0.000 -2.390) 2.734 5.347 ( -0.588 0.000 0.108) 0.598 5.421 ( -3.762 0.000 -1.931) 4.228 5.432 ( -0.862 0.000 0.710) 1.117 5.471 ( -1.821 0.000 0.775) 1.979 5.541 ( 1.020 0.000 0.200) 1.039 5.552 ( 0.075 0.000 -1.133) 1.136 5.601 ( 0.162 0.000 -0.570) 0.592 5.689 ( 2.903 0.000 0.631) 2.971 5.720 ( 0.657 0.000 0.839) 1.066 5.773 ( -0.907 0.000 0.418) 0.999 5.978 ( -0.362 0.000 -0.242) 0.435 6.028 ( -0.574 0.000 0.429) 0.717 8.231 ( -0.014 0.000 0.027) 0.031 8.273 ( 0.045 0.000 -0.001) 0.045 8.498 ( 0.103 0.000 0.068) 0.123 8.506 ( -0.482 0.000 -0.206) 0.524 8.511 ( 0.192 0.000 0.022) 0.193 8.556 ( 0.006 0.000 0.109) 0.109 8.748 ( -0.526 0.000 -0.072) 0.531 8.821 ( -0.921 0.000 -0.732) 1.176 9.053 ( 0.142 0.000 -0.318) 0.349 9.086 ( -0.146 0.000 0.812) 0.825 9.110 ( -0.265 0.000 1.292) 1.319 9.145 ( -0.022 0.000 -0.117) 0.119 9.346 ( 0.820 0.000 -0.264) 0.861 9.368 ( -0.081 0.000 1.574) 1.576 9.391 ( 1.769 0.000 0.378) 1.809 9.446 ( -0.023 0.000 -0.166) 0.167 9.502 ( 2.104 0.000 -0.156) 2.110 9.558 ( 1.494 0.000 -1.973) 2.475 9.644 ( -2.549 0.000 0.465) 2.591 9.645 ( 0.241 0.000 -3.212) 3.221 9.710 ( 0.960 0.000 -0.150) 0.971 9.790 ( -1.085 0.000 2.790) 2.994 9.920 ( -1.769 0.000 -0.115) 1.772 10.037 ( -0.060 0.000 0.167) 0.177======================= Grid point 2 (3/40) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.659 ( -0.000 0.000 -0.000) 0.000 0.678 ( -0.000 0.000 -0.000) 0.000 0.742 ( 0.000 0.000 0.000) 0.000 0.762 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.227 ( -0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 -0.000) 0.000 1.319 ( 0.000 0.000 0.000) 0.000 1.386 ( 0.000 0.000 0.000) 0.000 1.521 ( 0.000 0.000 -0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.568 ( -0.000 0.000 0.000) 0.000 1.570 ( -0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 -0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.727 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 -0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 -0.000) 0.000 2.059 ( 0.000 0.000 -0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 -0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.616 ( 0.000 0.000 -0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 -0.000) 0.000 2.868 ( 0.000 0.000 -0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 -0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 -0.000) 0.000 3.171 ( 0.000 0.000 -0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.411 ( -0.000 0.000 -0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.453 ( -0.000 0.000 -0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 3.991 ( -0.000 0.000 -0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 -0.000) 0.000 4.211 ( 0.000 0.000 -0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 -0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.760 ( -0.000 0.000 -0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.964 ( -0.000 0.000 -0.000) 0.000 5.118 ( 0.000 0.000 -0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 -0.000) 0.000 5.363 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 -0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.739 ( -0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 8.513 ( 0.000 0.000 0.000) 0.000 8.557 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.807 ( 0.000 0.000 -0.000) 0.000 9.053 ( 0.000 0.000 0.000) 0.000 9.089 ( 0.000 0.000 0.000) 0.000 9.112 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 9.416 ( 0.000 0.000 0.000) 0.000 9.445 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 -0.000) 0.000 9.572 ( -0.000 0.000 0.000) 0.000 9.632 ( 0.000 0.000 -0.000) 0.000 9.724 ( 0.000 0.000 0.000) 0.000 9.788 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000======================= Grid point 5 (4/40) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.329 ( 0.000 16.900 0.000) 16.900 0.396 ( 0.000 20.565 0.000) 20.565 0.569 ( 0.000 25.462 0.000) 25.462 1.199 ( 0.000 7.674 0.000) 7.674 1.242 ( 0.000 1.933 0.000) 1.933 1.248 ( 0.000 2.377 0.000) 2.377 1.292 ( 0.000 -0.482 0.000) 0.482 1.335 ( 0.000 1.449 0.000) 1.449 1.385 ( 0.000 5.180 0.000) 5.180 1.494 ( 0.000 4.386 0.000) 4.386 1.503 ( 0.000 3.956 0.000) 3.956 1.551 ( 0.000 -3.270 0.000) 3.270 1.670 ( 0.000 -1.360 0.000) 1.360 1.731 ( 0.000 -5.868 0.000) 5.868 1.776 ( 0.000 -0.817 0.000) 0.817 1.835 ( 0.000 1.072 0.000) 1.072 1.860 ( 0.000 -2.848 0.000) 2.848 1.900 ( 0.000 0.349 0.000) 0.349 1.913 ( 0.000 2.862 0.000) 2.862 1.973 ( 0.000 1.009 0.000) 1.009 2.057 ( 0.000 1.743 0.000) 1.743 2.095 ( 0.000 -5.973 0.000) 5.973 2.147 ( 0.000 -6.878 0.000) 6.878 2.189 ( 0.000 6.111 0.000) 6.111 2.268 ( 0.000 -0.428 0.000) 0.428 2.290 ( 0.000 -1.209 0.000) 1.209 2.290 ( 0.000 1.243 0.000) 1.243 2.306 ( 0.000 -2.485 0.000) 2.485 2.429 ( 0.000 3.433 0.000) 3.433 2.454 ( 0.000 -0.921 0.000) 0.921 2.526 ( 0.000 -2.555 0.000) 2.555 2.534 ( 0.000 -0.572 0.000) 0.572 2.584 ( 0.000 -4.469 0.000) 4.469 2.674 ( 0.000 -1.425 0.000) 1.425 2.675 ( 0.000 2.954 0.000) 2.954 2.806 ( 0.000 0.793 0.000) 0.793 2.875 ( 0.000 0.200 0.000) 0.200 2.901 ( 0.000 0.593 0.000) 0.593 2.942 ( 0.000 -3.580 0.000) 3.580 3.001 ( 0.000 -3.537 0.000) 3.537 3.027 ( 0.000 2.099 0.000) 2.099 3.102 ( 0.000 -0.303 0.000) 0.303 3.133 ( 0.000 0.553 0.000) 0.553 3.163 ( 0.000 -1.477 0.000) 1.477 3.246 ( 0.000 0.963 0.000) 0.963 3.279 ( 0.000 -5.614 0.000) 5.614 3.324 ( 0.000 1.757 0.000) 1.757 3.335 ( 0.000 2.960 0.000) 2.960 3.411 ( 0.000 2.576 0.000) 2.576 3.460 ( 0.000 0.841 0.000) 0.841 3.580 ( 0.000 5.344 0.000) 5.344 3.582 ( 0.000 -0.293 0.000) 0.293 3.650 ( 0.000 -2.593 0.000) 2.593 3.720 ( 0.000 -5.709 0.000) 5.709 3.800 ( 0.000 -1.786 0.000) 1.786 3.914 ( 0.000 -2.891 0.000) 2.891 3.924 ( 0.000 -0.249 0.000) 0.249 3.980 ( 0.000 0.854 0.000) 0.854 3.980 ( 0.000 -1.047 0.000) 1.047 4.013 ( 0.000 -0.990 0.000) 0.990 4.118 ( 0.000 -0.855 0.000) 0.855 4.163 ( 0.000 4.307 0.000) 4.307 4.264 ( 0.000 0.612 0.000) 0.612 4.282 ( 0.000 0.159 0.000) 0.159 4.325 ( 0.000 1.511 0.000) 1.511 4.335 ( 0.000 -4.711 0.000) 4.711 4.383 ( 0.000 -1.551 0.000) 1.551 4.429 ( 0.000 -2.280 0.000) 2.280 4.454 ( 0.000 0.126 0.000) 0.126 4.482 ( 0.000 -0.610 0.000) 0.610 4.508 ( 0.000 2.539 0.000) 2.539 4.532 ( 0.000 1.745 0.000) 1.745 4.596 ( 0.000 2.494 0.000) 2.494 4.688 ( 0.000 0.130 0.000) 0.130 4.759 ( 0.000 -0.551 0.000) 0.551 4.839 ( 0.000 -1.060 0.000) 1.060 4.881 ( 0.000 3.772 0.000) 3.772 5.003 ( 0.000 -0.620 0.000) 0.620 5.047 ( 0.000 1.192 0.000) 1.192 5.153 ( 0.000 0.519 0.000) 0.519 5.178 ( 0.000 0.374 0.000) 0.374 5.214 ( 0.000 0.522 0.000) 0.522 5.260 ( 0.000 0.697 0.000) 0.697 5.280 ( 0.000 1.148 0.000) 1.148 5.339 ( 0.000 -1.570 0.000) 1.570 5.432 ( 0.000 -0.746 0.000) 0.746 5.453 ( 0.000 -4.416 0.000) 4.416 5.484 ( 0.000 -2.117 0.000) 2.117 5.498 ( 0.000 0.399 0.000) 0.399 5.528 ( 0.000 0.319 0.000) 0.319 5.637 ( 0.000 1.016 0.000) 1.016 5.647 ( 0.000 1.471 0.000) 1.471 5.717 ( 0.000 -0.082 0.000) 0.082 5.775 ( 0.000 -0.349 0.000) 0.349 5.969 ( 0.000 -1.457 0.000) 1.457 5.989 ( 0.000 -1.119 0.000) 1.119 8.240 ( 0.000 0.813 0.000) 0.813 8.269 ( 0.000 -0.314 0.000) 0.314 8.499 ( 0.000 0.291 0.000) 0.291 8.509 ( 0.000 0.079 0.000) 0.079 8.514 ( 0.000 0.055 0.000) 0.055 8.551 ( 0.000 -0.481 0.000) 0.481 8.758 ( 0.000 0.257 0.000) 0.257 8.824 ( 0.000 -1.131 0.000) 1.131 9.085 ( 0.000 0.243 0.000) 0.243 9.093 ( 0.000 0.450 0.000) 0.450 9.116 ( 0.000 1.422 0.000) 1.422 9.144 ( 0.000 -0.128 0.000) 0.128 9.352 ( 0.000 1.546 0.000) 1.546 9.369 ( 0.000 1.526 0.000) 1.526 9.376 ( 0.000 0.193 0.000) 0.193 9.441 ( 0.000 -0.656 0.000) 0.656 9.476 ( 0.000 0.735 0.000) 0.735 9.570 ( 0.000 0.661 0.000) 0.661 9.619 ( 0.000 -0.434 0.000) 0.434 9.686 ( 0.000 0.965 0.000) 0.965 9.689 ( 0.000 -1.255 0.000) 1.255 9.778 ( 0.000 -2.242 0.000) 2.242 9.932 ( 0.000 -3.279 0.000) 3.279 9.978 ( 0.000 -1.690 0.000) 1.690======================= Grid point 6 (5/40) =======================q-point: ( 0.25 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.482 ( 11.024 11.502 1.537) 16.006 0.534 ( 11.647 12.867 4.574) 17.947 0.872 ( 18.703 12.323 5.841) 23.147 1.064 ( -8.969 6.429 -3.086) 11.459 1.126 ( -8.540 5.693 -3.501) 10.844 1.211 ( -2.815 2.032 -1.651) 3.844 1.306 ( 0.609 0.828 3.339) 3.494 1.351 ( -0.027 2.068 1.990) 2.870 1.375 ( 0.039 5.913 0.959) 5.990 1.451 ( 2.335 -0.337 -2.900) 3.738 1.511 ( -2.954 -3.389 2.737) 5.263 1.588 ( 2.257 3.132 -1.459) 4.126 1.631 ( -4.336 -4.020 1.621) 6.131 1.681 ( 0.366 -0.664 -1.442) 1.629 1.761 ( -6.206 0.750 3.121) 6.987 1.829 ( 0.545 2.119 -1.899) 2.897 1.864 ( -2.737 -0.864 -1.907) 3.446 1.911 ( 1.728 -0.526 -0.531) 1.883 1.926 ( -1.311 0.497 0.752) 1.591 1.974 ( 1.362 4.386 -0.265) 4.600 2.065 ( 1.362 -1.409 2.832) 3.444 2.079 ( -2.287 -4.592 -2.947) 5.917 2.138 ( -0.726 1.171 -0.746) 1.566 2.165 ( 0.306 2.615 0.012) 2.633 2.236 ( 1.198 -0.592 -1.428) 1.956 2.279 ( -0.859 -1.688 -0.128) 1.898 2.308 ( 0.081 -2.356 0.989) 2.557 2.319 ( -2.203 -0.562 1.395) 2.667 2.373 ( -1.289 3.428 0.152) 3.666 2.452 ( -2.016 0.004 -0.416) 2.058 2.477 ( -2.501 -2.694 -2.812) 4.628 2.537 ( 0.939 -0.906 1.283) 1.830 2.578 ( -0.721 -3.725 1.227) 3.988 2.669 ( -0.120 1.455 -0.514) 1.548 2.721 ( 1.721 -2.277 2.051) 3.515 2.803 ( -0.690 -0.895 -6.387) 6.486 2.836 ( -0.534 0.329 0.143) 0.643 2.912 ( 1.419 0.072 -1.339) 1.952 3.000 ( 1.230 -3.528 0.730) 3.807 3.030 ( 1.336 0.020 1.326) 1.882 3.066 ( 1.807 0.376 0.558) 1.928 3.090 ( 4.779 -2.511 -1.674) 5.652 3.111 ( -0.366 -2.144 2.071) 3.004 3.168 ( -1.294 -0.664 -2.538) 2.925 3.201 ( -1.351 -0.141 -1.983) 2.403 3.287 ( 1.759 -2.321 1.631) 3.338 3.355 ( 4.204 3.971 0.579) 5.812 3.389 ( 0.636 -0.809 4.699) 4.811 3.472 ( -0.126 3.246 1.920) 3.774 3.486 ( 3.028 -0.723 -1.744) 3.569 3.519 ( -0.349 0.466 0.997) 1.155 3.583 ( -3.312 1.038 -1.232) 3.683 3.609 ( -2.022 -0.695 -2.438) 3.242 3.709 ( -3.626 -2.822 2.358) 5.164 3.778 ( -2.682 -1.046 1.678) 3.332 3.859 ( -2.393 3.330 1.056) 4.234 3.901 ( 1.103 -0.196 -1.836) 2.151 3.967 ( -0.088 0.979 -2.189) 2.399 3.986 ( -1.048 -1.348 -2.949) 3.408 4.056 ( -0.195 -1.432 0.513) 1.534 4.102 ( -0.635 0.278 0.673) 0.966 4.247 ( -0.128 2.256 -0.321) 2.283 4.277 ( 1.697 0.150 0.608) 1.808 4.286 ( 0.777 0.054 0.304) 0.836 4.300 ( 1.057 -0.114 -0.689) 1.266 4.317 ( -0.626 0.540 -0.163) 0.842 4.395 ( 0.525 0.040 0.018) 0.527 4.409 ( -0.589 0.451 -0.595) 0.951 4.468 ( 1.073 -0.812 0.845) 1.588 4.478 ( -1.599 1.340 -0.784) 2.229 4.517 ( 0.903 0.665 -0.422) 1.199 4.539 ( 0.840 1.705 0.646) 2.007 4.588 ( 5.087 -2.936 2.189) 6.268 4.680 ( -0.442 0.328 -0.359) 0.657 4.761 ( 0.165 -0.503 -0.090) 0.537 4.830 ( -0.561 -0.835 -0.613) 1.178 4.893 ( 0.703 3.349 0.648) 3.483 5.022 ( -0.744 -2.341 -0.783) 2.578 5.079 ( 1.788 0.503 0.863) 2.049 5.151 ( 0.100 0.476 0.155) 0.510 5.181 ( -0.705 -0.380 0.767) 1.109 5.214 ( -0.303 0.061 -0.022) 0.310 5.264 ( 0.759 0.426 -0.462) 0.985 5.289 ( 0.729 0.943 0.136) 1.200 5.334 ( -0.431 -1.364 0.114) 1.435 5.374 ( -4.113 -3.471 -1.159) 5.506 5.434 ( -0.756 -0.111 -0.031) 0.764 5.450 ( -0.866 -1.333 -0.874) 1.814 5.531 ( 1.052 -0.717 0.474) 1.359 5.546 ( 0.862 -0.277 -0.315) 0.959 5.626 ( -1.090 1.546 -0.412) 1.936 5.682 ( 2.746 -0.286 1.004) 2.938 5.723 ( 0.600 0.192 0.541) 0.831 5.767 ( -0.888 -0.578 -0.052) 1.061 5.965 ( -0.137 -1.192 -0.065) 1.201 6.004 ( 0.264 -1.799 0.366) 1.854 8.237 ( -0.166 0.581 0.069) 0.608 8.271 ( -0.023 -0.267 0.219) 0.346 8.500 ( 0.156 0.244 -0.012) 0.290 8.510 ( 0.217 0.127 -0.095) 0.269 8.519 ( -0.035 0.692 -0.050) 0.695 8.552 ( -0.020 -0.447 0.170) 0.479 8.751 ( -0.469 0.337 0.036) 0.578 8.816 ( -0.526 -0.575 -0.728) 1.066 9.071 ( -0.505 1.092 -0.535) 1.317 9.092 ( 0.499 0.836 0.295) 1.017 9.129 ( -0.544 1.260 1.677) 2.167 9.145 ( -0.009 0.221 0.393) 0.451 9.347 ( 0.460 0.393 -0.486) 0.776 9.370 ( 0.897 0.381 0.090) 0.979 9.422 ( 1.072 2.098 1.231) 2.658 9.440 ( -0.041 -0.611 -0.050) 0.615 9.500 ( 2.496 -0.085 -0.027) 2.498 9.568 ( 0.931 0.924 -1.609) 2.076 9.619 ( -1.185 -1.465 0.615) 1.982 9.668 ( -1.109 1.277 -1.093) 2.014 9.696 ( 0.912 -1.135 -0.741) 1.633 9.748 ( -1.929 -3.017 1.323) 3.817 9.919 ( -1.429 -1.022 0.253) 1.775 9.985 ( 0.571 -4.022 -0.384) 4.081======================= Grid point 7 (6/40) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.744 ( 0.000 0.151 0.000) 0.151 0.749 ( -0.000 9.019 -0.000) 9.019 0.844 ( -0.000 8.001 -0.000) 8.001 0.850 ( 0.000 14.249 0.000) 14.249 1.182 ( 0.000 0.602 -0.000) 0.602 1.197 ( 0.000 -2.411 0.000) 2.411 1.373 ( 0.000 4.283 0.000) 4.283 1.376 ( -0.000 6.174 0.000) 6.174 1.431 ( 0.000 3.036 0.000) 3.036 1.454 ( 0.000 -4.419 0.000) 4.419 1.498 ( 0.000 -2.423 0.000) 2.423 1.568 ( 0.000 0.485 0.000) 0.485 1.610 ( 0.000 -0.067 0.000) 0.067 1.637 ( 0.000 0.321 0.000) 0.321 1.653 ( 0.000 4.183 -0.000) 4.183 1.740 ( 0.000 -0.316 0.000) 0.316 1.841 ( 0.000 4.167 -0.000) 4.167 1.928 ( 0.000 2.222 -0.000) 2.222 1.957 ( 0.000 -2.694 0.000) 2.694 1.971 ( 0.000 -0.560 -0.000) 0.560 2.063 ( 0.000 1.413 -0.000) 1.413 2.077 ( -0.000 -0.403 0.000) 0.403 2.122 ( 0.000 0.205 0.000) 0.205 2.189 ( 0.000 4.307 0.000) 4.307 2.240 ( 0.000 -0.411 0.000) 0.411 2.271 ( 0.000 -3.046 0.000) 3.046 2.284 ( 0.000 -1.268 0.000) 1.268 2.313 ( 0.000 -3.929 -0.000) 3.929 2.370 ( 0.000 2.815 0.000) 2.815 2.430 ( 0.000 1.121 -0.000) 1.121 2.435 ( 0.000 -3.730 0.000) 3.730 2.558 ( 0.000 -0.742 0.000) 0.742 2.576 ( 0.000 -3.598 -0.000) 3.598 2.672 ( 0.000 -0.173 0.000) 0.173 2.712 ( 0.000 3.300 0.000) 3.300 2.778 ( 0.000 -6.039 0.000) 6.039 2.837 ( 0.000 0.957 0.000) 0.957 2.924 ( 0.000 0.787 0.000) 0.787 3.026 ( 0.000 -4.474 0.000) 4.474 3.036 ( 0.000 -0.219 -0.000) 0.219 3.100 ( 0.000 -1.552 0.000) 1.552 3.122 ( 0.000 -2.023 0.000) 2.023 3.141 ( 0.000 -0.542 -0.000) 0.542 3.153 ( 0.000 -2.969 0.000) 2.969 3.164 ( -0.000 0.242 -0.000) 0.242 3.345 ( 0.000 -4.951 0.000) 4.951 3.416 ( 0.000 -1.194 0.000) 1.194 3.459 ( -0.000 0.463 0.000) 0.463 3.467 ( 0.000 4.366 -0.000) 4.366 3.490 ( 0.000 3.333 -0.000) 3.333 3.497 ( 0.000 2.088 -0.000) 2.088 3.514 ( -0.000 2.049 0.000) 2.049 3.577 ( 0.000 1.180 0.000) 1.180 3.660 ( 0.000 -0.395 0.000) 0.395 3.751 ( 0.000 -0.559 0.000) 0.559 3.851 ( 0.000 4.012 -0.000) 4.012 3.899 ( 0.000 -0.240 0.000) 0.240 3.953 ( 0.000 -2.523 0.000) 2.523 4.002 ( -0.000 0.789 -0.000) 0.789 4.017 ( 0.000 -1.004 0.000) 1.004 4.098 ( 0.000 1.122 0.000) 1.122 4.220 ( 0.000 0.555 -0.000) 0.555 4.296 ( 0.000 -0.204 0.000) 0.204 4.300 ( -0.000 -0.257 -0.000) 0.257 4.310 ( 0.000 0.333 0.000) 0.333 4.313 ( 0.000 -0.222 -0.000) 0.222 4.405 ( 0.000 1.218 0.000) 1.218 4.411 ( 0.000 0.271 0.000) 0.271 4.452 ( 0.000 1.190 -0.000) 1.190 4.480 ( 0.000 -1.003 0.000) 1.003 4.524 ( 0.000 1.200 0.000) 1.200 4.554 ( 0.000 1.584 0.000) 1.584 4.657 ( 0.000 -1.215 0.000) 1.215 4.727 ( 0.000 -6.259 0.000) 6.259 4.755 ( 0.000 -0.548 0.000) 0.548 4.821 ( 0.000 -0.920 0.000) 0.920 4.911 ( 0.000 3.633 0.000) 3.633 4.966 ( 0.000 0.398 0.000) 0.398 5.121 ( 0.000 0.246 0.000) 0.246 5.155 ( 0.000 0.790 0.000) 0.790 5.171 ( 0.000 -0.039 0.000) 0.039 5.204 ( 0.000 -0.480 0.000) 0.480 5.277 ( 0.000 0.519 0.000) 0.519 5.306 ( 0.000 1.809 -0.000) 1.809 5.307 ( 0.000 -4.734 0.000) 4.734 5.330 ( 0.000 -1.063 -0.000) 1.063 5.419 ( 0.000 -0.261 -0.000) 0.261 5.446 ( 0.000 -1.160 -0.000) 1.160 5.544 ( 0.000 -0.226 0.000) 0.226 5.550 ( 0.000 -0.326 0.000) 0.326 5.613 ( 0.000 1.229 -0.000) 1.229 5.729 ( -0.000 -0.237 -0.000) 0.237 5.737 ( 0.000 -1.118 0.000) 1.118 5.740 ( 0.000 -0.010 0.000) 0.010 5.964 ( 0.000 -0.826 0.000) 0.826 6.005 ( 0.000 -1.588 0.000) 1.588 8.235 ( 0.000 0.437 0.000) 0.437 8.271 ( 0.000 -0.277 0.000) 0.277 8.503 ( 0.000 0.320 0.000) 0.320 8.514 ( 0.000 0.120 0.000) 0.120 8.515 ( 0.000 1.202 -0.000) 1.202 8.552 ( 0.000 -0.454 0.000) 0.454 8.746 ( 0.000 0.496 0.000) 0.496 8.805 ( 0.000 -0.157 -0.000) 0.157 9.065 ( 0.000 0.965 0.000) 0.965 9.102 ( 0.000 1.368 0.000) 1.368 9.125 ( 0.000 0.830 0.000) 0.830 9.146 ( 0.000 0.525 0.000) 0.525 9.348 ( 0.000 -0.070 0.000) 0.070 9.386 ( 0.000 1.205 0.000) 1.205 9.435 ( 0.000 1.482 0.000) 1.482 9.438 ( -0.000 -0.749 -0.000) 0.749 9.563 ( 0.000 -0.849 -0.000) 0.849 9.569 ( -0.000 0.061 0.000) 0.061 9.583 ( -0.000 0.466 0.000) 0.466 9.646 ( 0.000 1.348 -0.000) 1.348 9.710 ( 0.000 -1.383 -0.000) 1.383 9.731 ( 0.000 -4.293 0.000) 4.293 9.900 ( 0.000 -0.166 0.000) 0.166 9.990 ( 0.000 -4.276 0.000) 4.276======================= Grid point 10 (7/40) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.642 ( 0.000 15.636 0.000) 15.636 0.785 ( 0.000 19.879 0.000) 19.879 0.908 ( 0.000 10.855 0.000) 10.855 1.233 ( 0.000 -0.214 0.000) 0.214 1.303 ( 0.000 3.492 0.000) 3.492 1.355 ( 0.000 -0.185 0.000) 0.185 1.376 ( 0.000 5.130 0.000) 5.130 1.427 ( 0.000 -1.874 0.000) 1.874 1.456 ( 0.000 9.221 0.000) 9.221 1.512 ( 0.000 -2.138 0.000) 2.138 1.556 ( 0.000 8.500 0.000) 8.500 1.592 ( 0.000 4.704 0.000) 4.704 1.617 ( 0.000 -1.863 0.000) 1.863 1.676 ( 0.000 2.555 0.000) 2.555 1.764 ( 0.000 0.429 0.000) 0.429 1.765 ( 0.000 -6.980 0.000) 6.980 1.875 ( 0.000 -1.600 0.000) 1.600 1.911 ( 0.000 5.045 0.000) 5.045 1.916 ( 0.000 -4.786 0.000) 4.786 1.985 ( 0.000 -8.724 0.000) 8.724 2.024 ( 0.000 6.737 0.000) 6.737 2.086 ( 0.000 3.329 0.000) 3.329 2.087 ( 0.000 1.138 0.000) 1.138 2.201 ( 0.000 -4.956 0.000) 4.956 2.253 ( 0.000 -2.545 0.000) 2.545 2.279 ( 0.000 -1.289 0.000) 1.289 2.280 ( 0.000 1.721 0.000) 1.721 2.312 ( 0.000 1.291 0.000) 1.291 2.423 ( 0.000 -2.450 0.000) 2.450 2.453 ( 0.000 -2.252 0.000) 2.252 2.491 ( 0.000 0.016 0.000) 0.016 2.514 ( 0.000 -2.151 0.000) 2.151 2.543 ( 0.000 1.642 0.000) 1.642 2.631 ( 0.000 -2.368 0.000) 2.368 2.722 ( 0.000 2.241 0.000) 2.241 2.802 ( 0.000 -0.942 0.000) 0.942 2.878 ( 0.000 -2.964 0.000) 2.964 2.882 ( 0.000 -0.056 0.000) 0.056 2.917 ( 0.000 1.220 0.000) 1.220 2.956 ( 0.000 -0.857 0.000) 0.857 3.058 ( 0.000 -1.634 0.000) 1.634 3.090 ( 0.000 1.237 0.000) 1.237 3.143 ( 0.000 -0.265 0.000) 0.265 3.152 ( 0.000 0.139 0.000) 0.139 3.158 ( 0.000 -4.069 0.000) 4.069 3.265 ( 0.000 -0.085 0.000) 0.085 3.344 ( 0.000 -0.047 0.000) 0.047 3.391 ( 0.000 -0.592 0.000) 0.592 3.419 ( 0.000 -4.230 0.000) 4.230 3.456 ( 0.000 1.647 0.000) 1.647 3.579 ( 0.000 -1.521 0.000) 1.521 3.588 ( 0.000 -1.757 0.000) 1.757 3.635 ( 0.000 0.502 0.000) 0.502 3.671 ( 0.000 3.091 0.000) 3.091 3.795 ( 0.000 1.488 0.000) 1.488 3.865 ( 0.000 -1.643 0.000) 1.643 3.921 ( 0.000 -0.121 0.000) 0.121 3.962 ( 0.000 -1.375 0.000) 1.375 3.974 ( 0.000 -3.024 0.000) 3.024 3.993 ( 0.000 0.115 0.000) 0.115 4.099 ( 0.000 -0.582 0.000) 0.582 4.189 ( 0.000 -3.216 0.000) 3.216 4.276 ( 0.000 0.581 0.000) 0.581 4.277 ( 0.000 0.175 0.000) 0.175 4.303 ( 0.000 2.457 0.000) 2.457 4.337 ( 0.000 -0.069 0.000) 0.069 4.396 ( 0.000 2.238 0.000) 2.238 4.397 ( 0.000 -0.866 0.000) 0.866 4.456 ( 0.000 0.061 0.000) 0.061 4.466 ( 0.000 -0.808 0.000) 0.808 4.545 ( 0.000 1.143 0.000) 1.143 4.569 ( 0.000 1.762 0.000) 1.762 4.622 ( 0.000 0.488 0.000) 0.488 4.685 ( 0.000 -0.531 0.000) 0.531 4.751 ( 0.000 -0.235 0.000) 0.235 4.811 ( 0.000 -1.821 0.000) 1.821 4.957 ( 0.000 3.598 0.000) 3.598 4.997 ( 0.000 0.062 0.000) 0.062 5.079 ( 0.000 2.113 0.000) 2.113 5.161 ( 0.000 0.264 0.000) 0.264 5.187 ( 0.000 0.539 0.000) 0.539 5.229 ( 0.000 0.957 0.000) 0.957 5.275 ( 0.000 1.004 0.000) 1.004 5.295 ( 0.000 -1.177 0.000) 1.177 5.301 ( 0.000 -2.157 0.000) 2.157 5.377 ( 0.000 -1.831 0.000) 1.831 5.400 ( 0.000 -2.460 0.000) 2.460 5.450 ( 0.000 -1.325 0.000) 1.325 5.510 ( 0.000 0.789 0.000) 0.789 5.534 ( 0.000 0.290 0.000) 0.290 5.657 ( 0.000 1.100 0.000) 1.100 5.673 ( 0.000 1.209 0.000) 1.209 5.715 ( 0.000 -0.022 0.000) 0.022 5.764 ( 0.000 -0.809 0.000) 0.809 5.937 ( 0.000 -1.611 0.000) 1.611 5.960 ( 0.000 -1.786 0.000) 1.786 8.257 ( 0.000 0.840 0.000) 0.840 8.264 ( 0.000 -0.071 0.000) 0.071 8.504 ( 0.000 0.150 0.000) 0.150 8.513 ( 0.000 0.329 0.000) 0.329 8.514 ( 0.000 -0.119 0.000) 0.119 8.540 ( 0.000 -0.591 0.000) 0.591 8.765 ( 0.000 0.444 0.000) 0.444 8.801 ( 0.000 -1.054 0.000) 1.054 9.095 ( 0.000 0.609 0.000) 0.609 9.102 ( 0.000 0.411 0.000) 0.411 9.137 ( 0.000 0.661 0.000) 0.661 9.141 ( 0.000 -0.124 0.000) 0.124 9.369 ( 0.000 0.318 0.000) 0.318 9.404 ( 0.000 2.515 0.000) 2.515 9.408 ( 0.000 2.056 0.000) 2.056 9.425 ( 0.000 -0.742 0.000) 0.742 9.498 ( 0.000 1.568 0.000) 1.568 9.587 ( 0.000 1.042 0.000) 1.042 9.606 ( 0.000 -0.938 0.000) 0.938 9.658 ( 0.000 -1.786 0.000) 1.786 9.700 ( 0.000 -0.062 0.000) 0.062 9.719 ( 0.000 -3.614 0.000) 3.614 9.864 ( 0.000 -2.845 0.000) 2.845 9.938 ( 0.000 -2.297 0.000) 2.297======================= Grid point 11 (8/40) =======================q-point: ( 0.25 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.677 ( 2.943 9.485 2.737) 10.301 0.830 ( 5.768 16.671 4.198) 18.134 1.034 ( 4.495 5.428 0.858) 7.099 1.187 ( -2.539 2.071 -1.086) 3.452 1.233 ( -6.261 3.981 -3.944) 8.403 1.293 ( -4.122 5.640 -0.367) 6.995 1.351 ( -2.432 1.330 2.664) 3.845 1.433 ( 1.084 7.077 1.303) 7.278 1.436 ( -1.330 -2.059 -0.626) 2.530 1.467 ( 0.733 2.145 -0.475) 2.316 1.522 ( -2.581 6.174 1.113) 6.784 1.581 ( -0.371 0.592 -1.757) 1.891 1.614 ( -0.393 1.168 -1.554) 1.983 1.687 ( 0.550 0.124 1.483) 1.587 1.733 ( -3.990 -4.316 0.265) 5.884 1.820 ( -4.657 -3.202 -1.008) 5.741 1.849 ( 4.683 0.414 1.121) 4.833 1.900 ( 0.120 -1.667 -0.118) 1.675 1.940 ( 1.081 0.005 0.785) 1.336 2.014 ( 1.401 0.647 -3.854) 4.152 2.030 ( -0.290 1.060 1.945) 2.234 2.089 ( 2.277 4.322 0.596) 4.921 2.134 ( 1.864 0.148 0.783) 2.027 2.173 ( 0.362 -2.317 -2.548) 3.463 2.240 ( 0.014 -0.792 -0.066) 0.795 2.257 ( -0.365 0.043 -1.270) 1.322 2.293 ( -1.813 0.709 2.461) 3.138 2.309 ( -0.196 -0.484 -0.754) 0.918 2.412 ( -4.440 0.431 0.434) 4.482 2.418 ( -1.691 -2.702 0.133) 3.190 2.443 ( -2.278 -1.607 0.637) 2.859 2.505 ( 0.996 -2.282 -0.400) 2.522 2.548 ( 0.486 1.843 -0.968) 2.138 2.651 ( 0.889 -2.147 1.748) 2.907 2.725 ( -0.883 1.355 -1.689) 2.339 2.802 ( -0.759 0.834 -2.671) 2.900 2.853 ( 1.509 0.659 1.319) 2.110 2.907 ( 0.954 -0.790 -0.467) 1.324 2.947 ( 0.490 -0.986 -0.883) 1.411 2.986 ( 2.465 -3.412 0.879) 4.300 3.048 ( 0.154 -1.917 -0.180) 1.932 3.093 ( 1.255 1.698 0.114) 2.115 3.102 ( 0.331 0.937 0.119) 1.001 3.150 ( -1.417 -1.139 0.072) 1.819 3.177 ( 1.232 -2.063 -1.734) 2.963 3.250 ( -1.470 -1.322 1.142) 2.283 3.350 ( -1.519 -2.715 0.875) 3.232 3.397 ( -0.503 -7.387 -1.009) 7.473 3.444 ( 4.032 2.083 1.367) 4.740 3.509 ( 1.640 -0.836 1.575) 2.423 3.541 ( -0.412 3.555 0.921) 3.695 3.595 ( -0.148 1.219 -1.218) 1.729 3.643 ( -0.145 -0.968 1.128) 1.493 3.658 ( -0.254 2.738 -0.681) 2.832 3.770 ( -1.746 0.202 1.341) 2.211 3.880 ( -0.901 -0.610 1.738) 2.050 3.920 ( 1.460 0.973 -1.090) 2.065 3.945 ( -2.387 -2.038 -2.683) 4.129 3.967 ( 0.316 -1.142 -0.729) 1.391 4.026 ( 1.093 -1.115 0.510) 1.643 4.104 ( 0.098 0.113 0.528) 0.548 4.223 ( 0.898 -5.455 -0.326) 5.538 4.283 ( 0.669 0.334 0.341) 0.822 4.288 ( 0.688 0.728 0.391) 1.076 4.304 ( 0.678 1.195 -0.593) 1.497 4.323 ( -0.944 0.236 0.090) 0.977 4.390 ( 1.676 0.368 -0.249) 1.734 4.423 ( 0.993 1.438 -0.282) 1.770 4.463 ( 0.480 -0.058 0.242) 0.541 4.482 ( 0.824 -0.972 0.893) 1.556 4.543 ( -1.028 1.493 -0.735) 1.956 4.554 ( 0.377 0.231 0.383) 0.584 4.587 ( -1.574 1.677 0.027) 2.300 4.683 ( -0.274 -0.196 -0.246) 0.417 4.752 ( -0.025 -0.376 -0.372) 0.530 4.798 ( -0.749 -1.977 -0.587) 2.194 4.967 ( 0.822 3.486 0.046) 3.582 5.007 ( 0.397 0.530 -0.643) 0.923 5.095 ( 1.249 1.325 1.377) 2.283 5.163 ( 0.335 0.538 0.140) 0.649 5.180 ( -0.717 0.169 0.302) 0.796 5.217 ( -1.009 0.429 -0.213) 1.117 5.263 ( -2.512 -2.609 -0.085) 3.622 5.285 ( 0.852 0.811 -0.439) 1.255 5.305 ( -0.041 -1.864 0.129) 1.869 5.352 ( -0.646 1.476 -0.514) 1.691 5.410 ( 0.727 -2.338 -1.059) 2.668 5.434 ( -1.433 -0.449 -0.148) 1.509 5.520 ( 1.036 -0.263 0.103) 1.073 5.543 ( 0.278 -0.200 0.144) 0.371 5.655 ( -0.963 1.462 0.144) 1.757 5.683 ( 1.432 0.388 0.837) 1.703 5.724 ( 0.596 -0.082 0.190) 0.631 5.753 ( -0.868 -0.863 -0.562) 1.347 5.939 ( 0.210 -1.394 0.114) 1.414 5.966 ( 0.258 -2.065 0.212) 2.092 8.250 ( -0.356 0.709 -0.072) 0.796 8.266 ( -0.143 -0.222 0.280) 0.385 8.506 ( 0.299 0.299 -0.118) 0.439 8.515 ( 0.252 0.372 0.019) 0.449 8.525 ( 0.473 -0.084 -0.052) 0.483 8.543 ( 0.235 -0.428 0.109) 0.500 8.761 ( -0.217 0.678 0.107) 0.720 8.803 ( 0.115 -0.708 -0.470) 0.857 9.087 ( -0.362 0.678 -0.246) 0.807 9.111 ( 0.956 0.639 -0.276) 1.183 9.140 ( -0.255 0.314 0.677) 0.788 9.159 ( 0.396 0.663 1.991) 2.136 9.359 ( -0.781 0.728 -0.575) 1.213 9.386 ( 1.058 1.310 -0.250) 1.703 9.421 ( -0.010 -1.198 -0.315) 1.239 9.458 ( 0.715 1.262 0.940) 1.729 9.503 ( 1.288 0.461 0.129) 1.374 9.588 ( 0.185 0.475 -1.731) 1.804 9.592 ( -1.414 -0.888 1.264) 2.094 9.661 ( 0.034 -1.573 0.237) 1.591 9.683 ( -1.479 -1.671 2.817) 3.594 9.713 ( 0.009 0.492 -3.108) 3.147 9.871 ( 0.253 -3.224 1.092) 3.413 9.921 ( -0.813 -2.582 -1.801) 3.251======================= Grid point 12 (9/40) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.757 ( 0.000 1.633 0.000) 1.633 0.967 ( 0.000 12.496 0.000) 12.496 1.042 ( 0.000 11.902 0.000) 11.902 1.078 ( 0.000 2.719 0.000) 2.719 1.157 ( -0.000 3.531 0.000) 3.531 1.238 ( 0.000 5.482 -0.000) 5.482 1.358 ( -0.000 -3.316 -0.000) 3.316 1.396 ( 0.000 -3.656 -0.000) 3.656 1.474 ( 0.000 3.601 0.000) 3.601 1.497 ( 0.000 4.636 0.000) 4.636 1.552 ( -0.000 3.795 -0.000) 3.795 1.557 ( 0.000 0.627 0.000) 0.627 1.604 ( 0.000 -1.172 0.000) 1.172 1.675 ( 0.000 -4.178 0.000) 4.178 1.696 ( 0.000 -1.615 -0.000) 1.615 1.722 ( 0.000 6.701 0.000) 6.701 1.907 ( 0.000 -7.149 -0.000) 7.149 1.915 ( 0.000 -1.533 0.000) 1.533 1.938 ( 0.000 5.030 -0.000) 5.030 1.983 ( -0.000 1.247 -0.000) 1.247 2.046 ( 0.000 3.508 0.000) 3.508 2.110 ( 0.000 2.807 0.000) 2.807 2.169 ( 0.000 0.781 0.000) 0.781 2.224 ( 0.000 -1.308 -0.000) 1.308 2.230 ( -0.000 -0.325 0.000) 0.325 2.240 ( -0.000 0.050 0.000) 0.050 2.272 ( 0.000 0.233 0.000) 0.233 2.278 ( 0.000 1.308 -0.000) 1.308 2.383 ( -0.000 -0.594 -0.000) 0.594 2.385 ( 0.000 -0.113 0.000) 0.113 2.424 ( 0.000 -3.646 -0.000) 3.646 2.522 ( 0.000 -2.904 -0.000) 2.904 2.551 ( 0.000 2.601 0.000) 2.601 2.676 ( 0.000 -4.657 0.000) 4.657 2.677 ( 0.000 0.967 -0.000) 0.967 2.785 ( 0.000 4.034 0.000) 4.034 2.871 ( 0.000 2.418 0.000) 2.418 2.925 ( 0.000 -2.221 0.000) 2.221 2.961 ( 0.000 -0.682 -0.000) 0.682 3.004 ( 0.000 -3.003 0.000) 3.003 3.083 ( 0.000 -1.980 0.000) 1.980 3.088 ( -0.000 -0.372 -0.000) 0.372 3.110 ( 0.000 0.617 0.000) 0.617 3.151 ( 0.000 0.668 0.000) 0.668 3.172 ( 0.000 0.530 -0.000) 0.530 3.240 ( 0.000 -5.223 -0.000) 5.223 3.352 ( -0.000 -5.349 -0.000) 5.349 3.366 ( 0.000 -7.513 0.000) 7.513 3.509 ( 0.000 -0.037 -0.000) 0.037 3.519 ( -0.000 -1.591 0.000) 1.591 3.562 ( -0.000 3.457 -0.000) 3.457 3.584 ( 0.000 2.664 -0.000) 2.664 3.633 ( 0.000 4.978 0.000) 4.978 3.650 ( 0.000 1.047 0.000) 1.047 3.761 ( 0.000 1.441 0.000) 1.441 3.884 ( -0.000 -4.506 -0.000) 4.506 3.906 ( 0.000 0.371 0.000) 0.371 3.917 ( 0.000 2.057 -0.000) 2.057 3.987 ( 0.000 -1.072 0.000) 1.072 4.022 ( -0.000 1.061 0.000) 1.061 4.103 ( 0.000 -0.736 0.000) 0.736 4.209 ( 0.000 -2.356 -0.000) 2.356 4.295 ( 0.000 0.119 0.000) 0.119 4.297 ( -0.000 -0.017 -0.000) 0.017 4.307 ( 0.000 -0.200 -0.000) 0.200 4.316 ( 0.000 0.244 0.000) 0.244 4.417 ( 0.000 0.609 0.000) 0.609 4.432 ( 0.000 1.446 0.000) 1.446 4.470 ( 0.000 -0.207 0.000) 0.207 4.478 ( 0.000 0.873 0.000) 0.873 4.560 ( 0.000 0.991 -0.000) 0.991 4.571 ( 0.000 -4.870 -0.000) 4.870 4.571 ( -0.000 1.498 0.000) 1.498 4.678 ( 0.000 -0.315 0.000) 0.315 4.743 ( 0.000 -0.503 0.000) 0.503 4.787 ( 0.000 -2.182 0.000) 2.182 4.987 ( -0.000 1.781 -0.000) 1.781 4.992 ( 0.000 3.970 0.000) 3.970 5.124 ( 0.000 0.197 0.000) 0.197 5.171 ( 0.000 0.219 0.000) 0.219 5.183 ( 0.000 1.998 0.000) 1.998 5.192 ( -0.000 -0.812 -0.000) 0.812 5.223 ( 0.000 -3.323 0.000) 3.323 5.296 ( 0.000 1.289 0.000) 1.289 5.303 ( 0.000 -1.667 -0.000) 1.667 5.347 ( 0.000 2.360 0.000) 2.360 5.411 ( 0.000 -1.166 -0.000) 1.166 5.418 ( 0.000 -1.204 0.000) 1.204 5.539 ( -0.579 -0.587 0.059) 0.827 5.539 ( 0.579 -0.416 -0.059) 0.715 5.643 ( 0.000 1.733 0.000) 1.733 5.719 ( -0.000 -0.582 -0.000) 0.582 5.721 ( 0.000 -0.619 0.000) 0.619 5.737 ( 0.000 -0.277 0.000) 0.277 5.943 ( 0.000 -1.236 0.000) 1.236 5.968 ( 0.000 -2.070 0.000) 2.070 8.246 ( 0.000 0.613 0.000) 0.613 8.264 ( 0.000 -0.374 0.000) 0.374 8.509 ( 0.000 0.333 0.000) 0.333 8.519 ( 0.000 0.451 -0.000) 0.451 8.528 ( 0.000 -0.078 -0.000) 0.078 8.546 ( 0.000 -0.012 0.000) 0.012 8.760 ( 0.000 0.907 0.000) 0.907 8.801 ( 0.000 -0.319 -0.000) 0.319 9.082 ( 0.000 0.812 0.000) 0.812 9.127 ( 0.000 -0.478 -0.000) 0.478 9.136 ( 0.000 1.863 0.000) 1.863 9.167 ( 0.000 1.105 0.000) 1.105 9.350 ( 0.000 0.349 0.000) 0.349 9.409 ( 0.000 0.732 0.000) 0.732 9.420 ( 0.000 -0.830 0.000) 0.830 9.449 ( 0.000 -0.320 0.000) 0.320 9.547 ( 0.000 -0.695 -0.000) 0.695 9.554 ( -0.000 -2.254 0.000) 2.254 9.587 ( 0.000 0.545 -0.000) 0.545 9.667 ( 0.000 -0.989 -0.000) 0.989 9.684 ( 0.000 0.048 -0.000) 0.048 9.691 ( 0.000 1.167 0.000) 1.167 9.882 ( 0.000 -1.615 0.000) 1.615 9.900 ( 0.000 -4.448 -0.000) 4.448======================= Grid point 15 (10/40) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( 0.000 12.486 0.000) 12.486 1.043 ( 0.000 2.173 0.000) 2.173 1.150 ( 0.000 17.664 0.000) 17.664 1.249 ( 0.000 0.389 0.000) 0.389 1.262 ( 0.000 -5.388 0.000) 5.388 1.351 ( 0.000 0.646 0.000) 0.646 1.387 ( 0.000 -4.919 0.000) 4.919 1.399 ( 0.000 2.048 0.000) 2.048 1.434 ( 0.000 -3.822 0.000) 3.822 1.505 ( 0.000 -11.760 0.000) 11.760 1.570 ( 0.000 5.983 0.000) 5.983 1.631 ( 0.000 0.246 0.000) 0.246 1.702 ( 0.000 5.367 0.000) 5.367 1.725 ( 0.000 2.124 0.000) 2.124 1.782 ( 0.000 0.281 0.000) 0.281 1.796 ( 0.000 -2.827 0.000) 2.827 1.830 ( 0.000 -2.157 0.000) 2.157 1.845 ( 0.000 -2.678 0.000) 2.678 1.974 ( 0.000 12.163 0.000) 12.163 2.004 ( 0.000 3.562 0.000) 3.562 2.075 ( 0.000 -3.041 0.000) 3.041 2.103 ( 0.000 3.059 0.000) 3.059 2.127 ( 0.000 0.238 0.000) 0.238 2.181 ( 0.000 -3.007 0.000) 3.007 2.214 ( 0.000 3.549 0.000) 3.549 2.247 ( 0.000 -1.230 0.000) 1.230 2.256 ( 0.000 -2.124 0.000) 2.124 2.306 ( 0.000 -3.601 0.000) 3.601 2.382 ( 0.000 -0.378 0.000) 0.378 2.408 ( 0.000 -2.141 0.000) 2.141 2.490 ( 0.000 0.243 0.000) 0.243 2.500 ( 0.000 -0.315 0.000) 0.315 2.578 ( 0.000 1.607 0.000) 1.607 2.601 ( 0.000 -0.939 0.000) 0.939 2.767 ( 0.000 2.200 0.000) 2.200 2.789 ( 0.000 -0.226 0.000) 0.226 2.837 ( 0.000 -0.954 0.000) 0.954 2.857 ( 0.000 -2.247 0.000) 2.247 2.945 ( 0.000 -0.348 0.000) 0.348 2.949 ( 0.000 0.579 0.000) 0.579 3.020 ( 0.000 1.643 0.000) 1.643 3.112 ( 0.000 -2.014 0.000) 2.014 3.122 ( 0.000 0.628 0.000) 0.628 3.126 ( 0.000 -2.725 0.000) 2.725 3.151 ( 0.000 1.498 0.000) 1.498 3.226 ( 0.000 -7.711 0.000) 7.711 3.280 ( 0.000 1.703 0.000) 1.703 3.320 ( 0.000 -2.102 0.000) 2.102 3.444 ( 0.000 1.595 0.000) 1.595 3.466 ( 0.000 -0.528 0.000) 0.528 3.560 ( 0.000 -0.035 0.000) 0.035 3.567 ( 0.000 -0.438 0.000) 0.438 3.690 ( 0.000 2.833 0.000) 2.833 3.713 ( 0.000 0.730 0.000) 0.730 3.836 ( 0.000 2.484 0.000) 2.484 3.859 ( 0.000 0.730 0.000) 0.730 3.904 ( 0.000 -1.868 0.000) 1.868 3.906 ( 0.000 -3.332 0.000) 3.332 3.949 ( 0.000 0.826 0.000) 0.826 3.979 ( 0.000 -1.596 0.000) 1.596 4.100 ( 0.000 0.596 0.000) 0.596 4.126 ( 0.000 -2.354 0.000) 2.354 4.283 ( 0.000 0.239 0.000) 0.239 4.284 ( 0.000 0.191 0.000) 0.191 4.340 ( 0.000 0.338 0.000) 0.338 4.343 ( 0.000 0.576 0.000) 0.576 4.403 ( 0.000 1.587 0.000) 1.587 4.425 ( 0.000 0.043 0.000) 0.043 4.458 ( 0.000 0.100 0.000) 0.100 4.458 ( 0.000 0.102 0.000) 0.102 4.560 ( 0.000 0.789 0.000) 0.789 4.580 ( 0.000 -0.854 0.000) 0.854 4.637 ( 0.000 1.481 0.000) 1.481 4.667 ( 0.000 -1.349 0.000) 1.349 4.753 ( 0.000 0.589 0.000) 0.589 4.775 ( 0.000 -1.664 0.000) 1.664 5.003 ( 0.000 1.058 0.000) 1.058 5.004 ( 0.000 0.514 0.000) 0.514 5.126 ( 0.000 2.649 0.000) 2.649 5.160 ( 0.000 -0.574 0.000) 0.574 5.198 ( 0.000 0.647 0.000) 0.647 5.231 ( 0.000 -2.920 0.000) 2.920 5.247 ( 0.000 0.314 0.000) 0.314 5.265 ( 0.000 -1.444 0.000) 1.444 5.305 ( 0.000 2.082 0.000) 2.082 5.350 ( 0.000 -2.523 0.000) 2.523 5.391 ( 0.000 1.790 0.000) 1.790 5.424 ( 0.000 -1.533 0.000) 1.533 5.526 ( 0.000 0.757 0.000) 0.757 5.536 ( 0.000 -0.223 0.000) 0.223 5.677 ( 0.000 0.850 0.000) 0.850 5.686 ( 0.000 0.009 0.000) 0.009 5.722 ( 0.000 0.921 0.000) 0.921 5.745 ( 0.000 -1.182 0.000) 1.182 5.917 ( 0.000 -0.276 0.000) 0.276 5.928 ( 0.000 -1.317 0.000) 1.317 8.266 ( 0.000 0.203 0.000) 0.203 8.268 ( 0.000 0.192 0.000) 0.192 8.506 ( 0.000 0.146 0.000) 0.146 8.510 ( 0.000 -0.218 0.000) 0.218 8.520 ( 0.000 0.431 0.000) 0.431 8.529 ( 0.000 -0.522 0.000) 0.522 8.774 ( 0.000 0.509 0.000) 0.509 8.785 ( 0.000 -0.675 0.000) 0.675 9.105 ( 0.000 0.366 0.000) 0.366 9.107 ( 0.000 0.093 0.000) 0.093 9.140 ( 0.000 0.032 0.000) 0.032 9.142 ( 0.000 -0.058 0.000) 0.058 9.379 ( 0.000 0.795 0.000) 0.795 9.399 ( 0.000 -1.197 0.000) 1.197 9.449 ( 0.000 1.770 0.000) 1.770 9.453 ( 0.000 1.469 0.000) 1.469 9.536 ( 0.000 2.256 0.000) 2.256 9.579 ( 0.000 -1.973 0.000) 1.973 9.608 ( 0.000 1.123 0.000) 1.123 9.629 ( 0.000 -1.174 0.000) 1.174 9.659 ( 0.000 -1.823 0.000) 1.823 9.670 ( 0.000 -2.340 0.000) 2.340 9.853 ( 0.000 1.388 0.000) 1.388 9.893 ( 0.000 -2.378 0.000) 2.378======================= Grid point 16 (11/40) =======================q-point: ( 0.25 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( -4.198 9.374 2.009) 10.465 1.015 ( -4.678 -5.007 3.706) 7.790 1.157 ( 1.375 12.495 1.464) 12.656 1.231 ( 1.723 5.241 -0.963) 5.600 1.311 ( 1.053 2.272 0.849) 2.644 1.350 ( -0.972 2.457 1.051) 2.844 1.380 ( -1.670 -2.884 0.488) 3.368 1.395 ( 0.268 0.234 -0.183) 0.400 1.438 ( 0.373 -3.228 0.514) 3.290 1.491 ( -0.650 -4.321 -0.812) 4.444 1.552 ( -1.624 -0.471 -1.239) 2.096 1.622 ( -1.472 0.112 -1.839) 2.358 1.641 ( -3.049 3.498 -2.496) 5.269 1.669 ( -6.561 -0.271 -3.829) 7.601 1.716 ( -0.872 0.602 1.069) 1.505 1.763 ( -0.525 -4.066 -1.149) 4.258 1.843 ( -0.039 1.524 1.495) 2.135 1.877 ( 0.725 -1.030 2.916) 3.177 1.981 ( 1.341 3.657 -3.236) 5.064 2.041 ( 0.894 -0.998 -2.801) 3.105 2.080 ( 0.126 3.834 -0.281) 3.847 2.101 ( 2.194 0.003 1.022) 2.420 2.146 ( 2.600 0.583 -1.305) 2.967 2.199 ( -0.741 2.989 1.730) 3.532 2.215 ( 1.964 -2.104 -0.316) 2.896 2.243 ( -0.389 -0.952 1.190) 1.572 2.279 ( 2.344 -0.860 -0.643) 2.578 2.302 ( -1.040 -0.609 2.621) 2.884 2.381 ( -1.562 0.297 1.116) 1.943 2.426 ( 0.191 -2.300 0.398) 2.342 2.440 ( -3.563 2.288 1.111) 4.378 2.470 ( -1.725 -0.511 -0.626) 1.905 2.581 ( 0.622 1.030 -0.818) 1.455 2.609 ( 0.447 -2.025 -0.558) 2.148 2.761 ( -1.884 2.619 -0.851) 3.336 2.822 ( 1.028 -3.089 1.234) 3.481 2.840 ( 1.772 2.494 0.984) 3.214 2.887 ( 1.942 -1.516 1.084) 2.691 2.943 ( 0.911 0.282 0.911) 1.319 2.971 ( 1.066 0.108 0.073) 1.074 3.017 ( 0.395 1.453 -1.822) 2.363 3.107 ( -0.554 -2.876 -1.411) 3.251 3.122 ( 1.572 0.913 -2.234) 2.880 3.134 ( 1.515 -0.614 -1.778) 2.415 3.142 ( 0.596 0.312 1.807) 1.928 3.203 ( -1.390 -6.360 1.146) 6.610 3.261 ( -2.214 0.335 0.248) 2.253 3.303 ( -3.322 -2.904 0.729) 4.472 3.474 ( 1.894 0.840 -0.225) 2.084 3.490 ( 0.792 -0.971 0.670) 1.421 3.586 ( 1.434 1.454 1.037) 2.290 3.605 ( 1.346 -0.349 0.596) 1.513 3.678 ( 0.041 3.810 0.351) 3.826 3.712 ( 1.148 1.558 -1.518) 2.459 3.770 ( -2.103 -0.010 -0.912) 2.293 3.820 ( -2.337 -4.434 -1.630) 5.271 3.928 ( 0.903 0.364 -0.303) 1.020 3.936 ( 0.490 -0.059 0.365) 0.614 3.964 ( 1.061 1.348 1.238) 2.115 4.001 ( 1.731 -1.955 0.698) 2.703 4.108 ( -0.121 0.314 0.421) 0.539 4.131 ( 0.196 -2.920 0.389) 2.952 4.289 ( 0.412 0.296 0.404) 0.648 4.293 ( 0.514 -0.057 0.200) 0.554 4.321 ( -0.777 0.548 -0.978) 1.364 4.328 ( -0.971 -0.031 -0.380) 1.044 4.421 ( 1.626 2.210 0.006) 2.744 4.446 ( 1.095 0.301 0.046) 1.137 4.462 ( 0.407 -0.014 -0.081) 0.416 4.466 ( 0.558 -0.506 0.440) 0.872 4.546 ( -1.241 -0.175 0.600) 1.389 4.553 ( -1.977 -0.632 -0.183) 2.084 4.629 ( -0.282 2.471 -0.117) 2.490 4.668 ( 0.086 -1.401 -0.153) 1.412 4.750 ( -0.341 0.214 -0.753) 0.854 4.764 ( -0.735 -1.364 -0.865) 1.774 5.011 ( 0.910 1.304 -0.324) 1.623 5.021 ( 1.488 0.336 -0.349) 1.564 5.131 ( -0.105 2.070 1.458) 2.534 5.162 ( -0.097 -0.896 0.723) 1.155 5.187 ( -0.718 0.686 0.143) 1.004 5.209 ( -1.601 -1.703 -0.047) 2.338 5.238 ( -0.701 1.030 -0.143) 1.254 5.266 ( 0.123 -1.835 -0.073) 1.841 5.316 ( 1.041 2.015 -0.786) 2.400 5.360 ( 0.899 -2.415 -0.702) 2.670 5.390 ( -0.033 1.740 -0.284) 1.763 5.419 ( -0.595 -1.146 -0.073) 1.293 5.523 ( 0.139 0.537 -0.036) 0.556 5.535 ( -0.133 -0.602 0.092) 0.624 5.681 ( -0.385 1.125 0.797) 1.432 5.691 ( 0.386 0.133 0.943) 1.028 5.723 ( 0.280 0.164 -0.490) 0.588 5.735 ( -0.508 -0.917 -0.858) 1.355 5.920 ( 0.277 -0.306 0.072) 0.419 5.931 ( 0.202 -1.387 0.073) 1.403 8.260 ( -0.395 0.324 -0.084) 0.518 8.264 ( -0.389 -0.067 0.142) 0.419 8.512 ( 0.390 0.361 -0.100) 0.541 8.519 ( 0.355 -0.350 0.000) 0.499 8.524 ( 0.447 0.494 -0.038) 0.667 8.534 ( 0.607 -0.508 0.013) 0.792 8.775 ( 0.153 0.753 0.013) 0.769 8.789 ( 0.351 -0.692 -0.214) 0.805 9.099 ( -0.155 0.628 -0.192) 0.674 9.110 ( 0.293 -0.472 -0.304) 0.633 9.151 ( 0.672 0.733 1.018) 1.423 9.162 ( 0.906 -0.287 1.469) 1.750 9.374 ( -0.326 0.911 -0.492) 1.085 9.396 ( -0.065 -1.291 -0.481) 1.379 9.421 ( -1.062 2.254 -0.030) 2.492 9.459 ( -0.939 -1.241 0.137) 1.562 9.522 ( -0.685 1.533 0.156) 1.686 9.557 ( -1.652 -2.011 0.065) 2.603 9.605 ( 0.064 0.910 -0.466) 1.025 9.630 ( 0.300 -1.576 -0.110) 1.609 9.674 ( 1.147 1.119 2.445) 2.924 9.707 ( 1.714 -1.632 0.386) 2.398 9.842 ( -0.493 0.646 -0.925) 1.231 9.875 ( -0.956 -2.244 -1.876) 3.077======================= Grid point 17 (12/40) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.824 ( 0.000 5.544 0.000) 5.544 0.959 ( 0.000 -7.809 0.000) 7.809 1.224 ( -0.000 11.875 0.000) 11.875 1.271 ( -0.000 10.871 -0.000) 10.871 1.303 ( 0.000 4.312 0.000) 4.312 1.329 ( 0.000 -1.283 -0.000) 1.283 1.340 ( 0.000 4.202 0.000) 4.202 1.373 ( 0.000 3.374 0.000) 3.374 1.462 ( 0.000 -4.777 0.000) 4.777 1.478 ( 0.000 -3.177 -0.000) 3.177 1.523 ( 0.000 -8.766 -0.000) 8.766 1.551 ( 0.000 -3.406 0.000) 3.406 1.614 ( 0.000 2.456 0.000) 2.456 1.622 ( 0.000 2.599 -0.000) 2.599 1.711 ( 0.000 0.668 -0.000) 0.668 1.746 ( 0.000 -6.057 0.000) 6.057 1.827 ( 0.000 3.231 -0.000) 3.231 1.876 ( 0.000 -2.362 0.000) 2.362 2.017 ( 0.000 3.013 -0.000) 3.013 2.039 ( -0.000 1.734 -0.000) 1.734 2.090 ( 0.000 1.828 0.000) 1.828 2.131 ( 0.000 -1.191 0.000) 1.191 2.172 ( 0.000 1.202 -0.000) 1.202 2.208 ( 0.000 -1.358 -0.000) 1.358 2.230 ( -0.000 0.679 0.000) 0.679 2.245 ( 0.000 0.113 0.000) 0.113 2.299 ( 0.000 1.307 0.000) 1.307 2.312 ( 0.000 -0.769 -0.000) 0.769 2.331 ( 0.000 2.013 0.000) 2.013 2.421 ( 0.000 0.811 -0.000) 0.811 2.433 ( 0.000 -3.955 -0.000) 3.955 2.440 ( 0.000 2.317 0.000) 2.317 2.585 ( 0.000 0.505 0.000) 0.505 2.612 ( 0.000 -2.265 0.000) 2.265 2.728 ( 0.000 4.494 0.000) 4.494 2.829 ( 0.000 -4.601 0.000) 4.601 2.868 ( 0.000 2.245 0.000) 2.245 2.906 ( -0.000 -0.279 0.000) 0.279 2.967 ( 0.000 1.161 -0.000) 1.161 2.999 ( 0.000 3.847 0.000) 3.847 3.030 ( 0.000 -3.503 -0.000) 3.503 3.082 ( 0.000 -1.740 0.000) 1.740 3.150 ( -0.000 3.029 0.000) 3.029 3.158 ( 0.000 -0.247 0.000) 0.247 3.167 ( 0.000 -1.671 -0.000) 1.671 3.190 ( 0.000 0.574 0.000) 0.574 3.227 ( 0.000 -4.614 -0.000) 4.614 3.240 ( -0.000 -5.469 -0.000) 5.469 3.489 ( 0.000 -0.864 -0.000) 0.864 3.493 ( -0.000 -1.046 0.000) 1.046 3.602 ( -0.000 1.063 -0.000) 1.063 3.610 ( 0.000 0.276 -0.000) 0.276 3.700 ( 0.000 3.292 0.000) 3.292 3.710 ( 0.000 3.470 0.000) 3.470 3.761 ( 0.000 -2.049 0.000) 2.049 3.792 ( -0.000 -4.663 -0.000) 4.663 3.927 ( 0.000 1.808 0.000) 1.808 3.939 ( 0.000 0.460 -0.000) 0.460 3.997 ( 0.000 1.665 0.000) 1.665 4.027 ( 0.000 -0.769 0.000) 0.769 4.090 ( -0.000 0.276 -0.000) 0.276 4.135 ( 0.000 -4.188 -0.000) 4.188 4.297 ( 0.000 0.027 0.000) 0.027 4.297 ( -0.000 0.004 -0.000) 0.004 4.310 ( 0.000 0.437 0.000) 0.437 4.317 ( 0.000 -0.161 0.000) 0.161 4.444 ( 0.000 1.896 0.000) 1.896 4.456 ( 0.000 0.877 0.000) 0.877 4.468 ( 0.000 -0.032 0.000) 0.032 4.475 ( 0.000 -0.734 0.000) 0.734 4.525 ( 0.000 -0.633 -0.000) 0.633 4.538 ( -0.000 -1.761 0.000) 1.761 4.627 ( -0.000 2.925 0.000) 2.925 4.668 ( 0.000 -1.152 -0.000) 1.152 4.738 ( 0.000 0.031 0.000) 0.031 4.750 ( 0.000 -1.360 0.000) 1.360 5.024 ( 0.000 1.693 0.000) 1.693 5.038 ( 0.000 0.607 0.000) 0.607 5.136 ( 0.000 1.156 0.000) 1.156 5.164 ( 0.000 -1.728 0.000) 1.728 5.179 ( 0.000 0.608 0.000) 0.608 5.191 ( 0.000 -0.661 -0.000) 0.661 5.226 ( 0.000 2.294 0.000) 2.294 5.267 ( 0.000 -2.003 0.000) 2.003 5.326 ( 0.000 1.917 0.000) 1.917 5.369 ( 0.000 -2.454 0.000) 2.454 5.387 ( -0.000 1.613 -0.000) 1.613 5.407 ( 0.000 -0.581 0.000) 0.581 5.530 ( 0.000 -0.245 -0.000) 0.245 5.532 ( 0.000 -0.369 0.000) 0.369 5.676 ( 0.000 1.698 0.000) 1.698 5.704 ( 0.000 -1.179 -0.000) 1.179 5.718 ( 0.000 0.429 0.000) 0.429 5.729 ( 0.000 -0.551 0.000) 0.551 5.925 ( 0.000 -0.424 0.000) 0.424 5.933 ( 0.000 -1.330 0.000) 1.330 8.255 ( 0.000 0.300 -0.000) 0.300 8.259 ( 0.000 -0.177 0.000) 0.177 8.515 ( 0.000 0.284 0.000) 0.284 8.521 ( 0.000 -0.374 -0.000) 0.374 8.531 ( 0.000 0.726 -0.000) 0.726 8.543 ( 0.000 -0.427 0.000) 0.427 8.778 ( 0.000 0.898 0.000) 0.898 8.792 ( 0.000 -0.593 -0.000) 0.593 9.097 ( 0.000 0.789 -0.000) 0.789 9.113 ( 0.000 -0.833 0.000) 0.833 9.166 ( 0.000 1.181 0.000) 1.181 9.178 ( 0.000 -0.036 0.000) 0.036 9.365 ( 0.000 1.286 0.000) 1.286 9.395 ( 0.000 -1.465 0.000) 1.465 9.420 ( 0.000 0.112 0.000) 0.112 9.431 ( -0.000 -1.078 0.000) 1.078 9.524 ( 0.000 -0.241 0.000) 0.241 9.533 ( -0.000 -0.813 -0.000) 0.813 9.605 ( 0.000 1.251 -0.000) 1.251 9.634 ( 0.000 -1.736 0.000) 1.736 9.707 ( 0.000 1.580 -0.000) 1.580 9.720 ( 0.000 0.699 0.000) 0.699 9.839 ( 0.000 -1.454 0.000) 1.454 9.847 ( -0.000 -1.666 -0.000) 1.666======================= Grid point 35 (13/40) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.384 ( -10.002 0.000 17.201) 19.897 0.459 ( -2.978 0.000 19.571) 19.796 0.774 ( 2.762 0.000 32.969) 33.085 1.037 ( 3.672 0.000 -7.096) 7.990 1.148 ( 2.214 0.000 -10.044) 10.285 1.237 ( -5.048 0.000 0.926) 5.132 1.238 ( -3.548 0.000 0.557) 3.591 1.305 ( 4.132 0.000 -1.975) 4.580 1.328 ( -0.635 0.000 -4.091) 4.140 1.388 ( -0.654 0.000 3.305) 3.369 1.464 ( 6.563 0.000 -4.330) 7.862 1.506 ( -2.929 0.000 1.078) 3.121 1.676 ( 6.272 0.000 -4.806) 7.902 1.751 ( -2.814 0.000 0.441) 2.849 1.754 ( 3.067 0.000 -2.565) 3.998 1.815 ( 0.419 0.000 2.103) 2.144 1.915 ( -0.603 0.000 0.603) 0.853 1.927 ( -2.308 0.000 6.341) 6.748 1.967 ( -0.030 0.000 5.219) 5.219 2.005 ( -0.923 0.000 2.020) 2.221 2.028 ( 0.004 0.000 -1.402) 1.402 2.096 ( 1.261 0.000 -10.783) 10.856 2.112 ( -2.115 0.000 -2.376) 3.181 2.126 ( -3.307 0.000 -4.359) 5.472 2.206 ( -0.027 0.000 -1.299) 1.300 2.240 ( 0.663 0.000 -3.052) 3.123 2.286 ( 0.936 0.000 0.258) 0.971 2.331 ( 0.600 0.000 -1.743) 1.843 2.336 ( 2.843 0.000 2.711) 3.928 2.415 ( 0.406 0.000 -5.778) 5.792 2.505 ( -1.939 0.000 -1.965) 2.760 2.568 ( 0.553 0.000 -4.885) 4.916 2.643 ( 3.919 0.000 3.067) 4.977 2.662 ( -0.059 0.000 -0.072) 0.093 2.739 ( 3.584 0.000 4.786) 5.979 2.806 ( -7.089 0.000 -0.495) 7.107 2.869 ( 1.034 0.000 -1.986) 2.239 2.894 ( -2.155 0.000 1.543) 2.651 2.960 ( -0.115 0.000 -2.262) 2.265 2.979 ( 0.704 0.000 -2.006) 2.126 3.041 ( 3.846 0.000 3.692) 5.331 3.146 ( -0.722 0.000 0.392) 0.822 3.168 ( -0.626 0.000 -1.843) 1.946 3.217 ( -1.610 0.000 7.879) 8.041 3.236 ( 1.715 0.000 -2.001) 2.636 3.313 ( -4.914 0.000 3.065) 5.791 3.399 ( 3.953 0.000 1.743) 4.320 3.423 ( 2.542 0.000 2.646) 3.669 3.447 ( -10.978 0.000 1.686) 11.107 3.466 ( 0.553 0.000 -1.889) 1.969 3.574 ( -1.480 0.000 -1.584) 2.168 3.578 ( 1.245 0.000 -1.520) 1.964 3.639 ( -2.433 0.000 -2.193) 3.275 3.717 ( -0.294 0.000 -3.453) 3.465 3.844 ( 0.365 0.000 0.963) 1.029 3.862 ( -0.030 0.000 2.438) 2.438 3.967 ( -0.805 0.000 -0.639) 1.028 3.998 ( 3.615 0.000 1.497) 3.913 4.027 ( -3.969 0.000 1.100) 4.118 4.089 ( -0.598 0.000 1.794) 1.891 4.094 ( 3.014 0.000 -2.522) 3.930 4.127 ( -1.242 0.000 -0.375) 1.297 4.229 ( -0.947 0.000 0.802) 1.241 4.266 ( 1.092 0.000 0.791) 1.348 4.287 ( -0.343 0.000 0.236) 0.416 4.294 ( 0.105 0.000 -1.199) 1.204 4.417 ( -1.495 0.000 -0.455) 1.563 4.419 ( 1.440 0.000 -0.441) 1.506 4.462 ( 0.666 0.000 0.173) 0.688 4.473 ( -1.371 0.000 -0.964) 1.676 4.486 ( 1.596 0.000 2.357) 2.846 4.515 ( -1.152 0.000 -0.305) 1.192 4.565 ( 1.015 0.000 1.532) 1.838 4.670 ( -0.237 0.000 -1.518) 1.536 4.781 ( -0.442 0.000 1.118) 1.202 4.816 ( 0.152 0.000 -0.670) 0.687 4.874 ( 0.104 0.000 1.172) 1.176 4.981 ( 2.538 0.000 -3.333) 4.189 5.060 ( 1.243 0.000 2.538) 2.826 5.151 ( -0.391 0.000 0.254) 0.466 5.184 ( 0.435 0.000 0.484) 0.651 5.205 ( 0.217 0.000 -0.527) 0.569 5.278 ( 0.724 0.000 1.117) 1.331 5.279 ( -1.771 0.000 -0.779) 1.935 5.330 ( 0.653 0.000 -0.464) 0.801 5.426 ( 3.183 0.000 -1.435) 3.492 5.455 ( -1.603 0.000 -2.318) 2.819 5.472 ( -2.550 0.000 -1.693) 3.061 5.527 ( 0.105 0.000 1.912) 1.915 5.573 ( 0.520 0.000 1.481) 1.569 5.628 ( 1.994 0.000 0.273) 2.013 5.629 ( -1.610 0.000 1.553) 2.237 5.717 ( 1.040 0.000 0.747) 1.280 5.776 ( 0.402 0.000 -1.302) 1.363 5.982 ( -0.240 0.000 -0.044) 0.244 6.000 ( 0.975 0.000 -0.577) 1.132 8.237 ( -0.089 0.000 0.502) 0.510 8.267 ( 0.142 0.000 -0.517) 0.537 8.499 ( -0.455 0.000 0.354) 0.576 8.510 ( 0.296 0.000 0.122) 0.320 8.513 ( -0.311 0.000 -0.019) 0.312 8.541 ( 0.578 0.000 -1.135) 1.274 8.747 ( 0.223 0.000 -0.484) 0.533 8.791 ( 0.128 0.000 -2.714) 2.717 9.076 ( -1.139 0.000 0.968) 1.494 9.118 ( 0.952 0.000 -0.762) 1.220 9.129 ( 0.160 0.000 3.259) 3.263 9.164 ( -0.055 0.000 1.218) 1.220 9.334 ( -0.434 0.000 0.781) 0.894 9.359 ( 2.270 0.000 -0.010) 2.270 9.386 ( 0.039 0.000 0.886) 0.887 9.435 ( -0.212 0.000 -0.957) 0.980 9.487 ( -0.337 0.000 0.235) 0.411 9.493 ( -1.817 0.000 0.523) 1.890 9.622 ( -0.869 0.000 0.294) 0.918 9.679 ( 1.199 0.000 -0.754) 1.417 9.706 ( -1.299 0.000 2.433) 2.758 9.895 ( -1.989 0.000 -2.834) 3.462 9.940 ( -0.093 0.000 -0.052) 0.107 9.959 ( 3.500 0.000 -1.267) 3.722======================= Grid point 36 (14/40) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.486 ( 9.730 0.000 11.430) 15.011 0.624 ( 7.040 0.000 15.356) 16.893 1.016 ( -10.904 0.000 3.434) 11.432 1.018 ( -13.925 0.000 1.240) 13.980 1.124 ( 1.607 0.000 -7.426) 7.597 1.154 ( 8.464 0.000 2.780) 8.908 1.186 ( 8.806 0.000 7.247) 11.405 1.303 ( 2.271 0.000 -4.617) 5.145 1.372 ( 4.458 0.000 1.912) 4.851 1.393 ( -2.328 0.000 0.433) 2.368 1.475 ( -1.012 0.000 -2.502) 2.699 1.577 ( 4.922 0.000 0.761) 4.981 1.675 ( -3.408 0.000 -1.861) 3.883 1.685 ( -1.958 0.000 -1.777) 2.644 1.809 ( -0.778 0.000 -0.727) 1.064 1.821 ( -3.550 0.000 -1.570) 3.882 1.822 ( -2.675 0.000 0.411) 2.707 1.872 ( -3.311 0.000 1.743) 3.741 1.956 ( -3.287 0.000 -2.466) 4.110 1.968 ( -0.526 0.000 -0.439) 0.685 2.032 ( 1.338 0.000 2.692) 3.006 2.068 ( -0.866 0.000 -2.571) 2.713 2.095 ( 3.080 0.000 1.716) 3.526 2.171 ( -3.129 0.000 0.110) 3.131 2.182 ( 6.031 0.000 -4.639) 7.609 2.235 ( -1.420 0.000 -5.131) 5.324 2.294 ( -1.297 0.000 -0.491) 1.387 2.310 ( -0.169 0.000 -4.347) 4.350 2.366 ( -0.534 0.000 3.521) 3.561 2.378 ( 2.369 0.000 -3.993) 4.643 2.453 ( -0.993 0.000 -0.292) 1.035 2.519 ( -1.210 0.000 -4.929) 5.075 2.668 ( 0.697 0.000 -0.006) 0.697 2.683 ( -1.720 0.000 0.100) 1.723 2.693 ( -1.271 0.000 3.213) 3.456 2.861 ( -0.501 0.000 -1.768) 1.838 2.862 ( 0.212 0.000 3.654) 3.660 2.887 ( 2.513 0.000 2.204) 3.342 2.984 ( 1.899 0.000 -1.704) 2.551 3.020 ( 4.594 0.000 -1.904) 4.973 3.106 ( -1.272 0.000 -0.868) 1.540 3.140 ( 0.401 0.000 -2.904) 2.931 3.147 ( 2.984 0.000 2.420) 3.842 3.215 ( -3.984 0.000 4.688) 6.152 3.275 ( 1.177 0.000 8.495) 8.576 3.291 ( 4.644 0.000 -2.816) 5.431 3.392 ( 1.320 0.000 2.916) 3.201 3.443 ( -0.783 0.000 -3.374) 3.464 3.496 ( 0.810 0.000 3.539) 3.631 3.500 ( -0.508 0.000 3.849) 3.882 3.506 ( -2.995 0.000 -1.173) 3.216 3.541 ( -0.920 0.000 -2.069) 2.264 3.633 ( 3.311 0.000 1.534) 3.649 3.648 ( -8.612 0.000 0.266) 8.617 3.780 ( -6.057 0.000 -2.949) 6.737 3.824 ( -2.623 0.000 1.146) 2.862 3.941 ( 1.845 0.000 1.295) 2.254 3.947 ( -2.030 0.000 0.718) 2.153 3.991 ( 0.409 0.000 1.923) 1.966 4.080 ( -0.582 0.000 0.406) 0.709 4.098 ( -2.835 0.000 -0.288) 2.849 4.224 ( -0.347 0.000 1.167) 1.217 4.247 ( 3.367 0.000 -2.485) 4.185 4.289 ( 0.447 0.000 -0.233) 0.504 4.303 ( 1.467 0.000 0.581) 1.577 4.311 ( 1.716 0.000 0.292) 1.741 4.378 ( 0.242 0.000 -1.057) 1.084 4.414 ( -1.231 0.000 0.087) 1.234 4.444 ( -0.370 0.000 0.001) 0.370 4.500 ( 1.218 0.000 -0.311) 1.257 4.502 ( 0.596 0.000 0.460) 0.753 4.554 ( 0.562 0.000 2.639) 2.699 4.640 ( 8.119 0.000 -1.802) 8.316 4.651 ( -0.209 0.000 -1.796) 1.808 4.773 ( -0.744 0.000 0.600) 0.956 4.821 ( 0.306 0.000 0.245) 0.392 4.875 ( -0.428 0.000 0.139) 0.450 4.975 ( -1.199 0.000 -4.344) 4.507 5.121 ( 2.286 0.000 3.396) 4.094 5.146 ( -0.043 0.000 -0.574) 0.576 5.193 ( -0.609 0.000 0.436) 0.749 5.207 ( 0.109 0.000 -0.422) 0.436 5.225 ( -0.538 0.000 -2.877) 2.927 5.287 ( -0.197 0.000 -0.661) 0.689 5.350 ( 0.411 0.000 2.067) 2.108 5.389 ( -3.665 0.000 -1.023) 3.805 5.421 ( -0.412 0.000 -1.727) 1.775 5.454 ( 0.006 0.000 -0.642) 0.642 5.539 ( 0.484 0.000 0.107) 0.496 5.579 ( -0.181 0.000 2.160) 2.168 5.613 ( -0.536 0.000 0.855) 1.009 5.691 ( 3.095 0.000 -0.265) 3.106 5.736 ( 0.178 0.000 0.574) 0.601 5.759 ( -1.096 0.000 -1.828) 2.131 5.976 ( -0.242 0.000 0.161) 0.290 6.008 ( 0.337 0.000 -1.255) 1.299 8.239 ( -0.156 0.000 0.554) 0.576 8.267 ( 0.206 0.000 -0.557) 0.594 8.493 ( -0.176 0.000 -0.096) 0.200 8.503 ( -0.420 0.000 -0.059) 0.424 8.516 ( 0.148 0.000 0.332) 0.363 8.545 ( 0.361 0.000 -0.985) 1.049 8.744 ( -0.239 0.000 -0.110) 0.263 8.775 ( 0.234 0.000 -2.332) 2.343 9.066 ( -0.456 0.000 0.842) 0.957 9.129 ( 0.634 0.000 -0.068) 0.638 9.134 ( -1.216 0.000 2.663) 2.928 9.142 ( -1.697 0.000 0.231) 1.713 9.355 ( 0.571 0.000 0.895) 1.062 9.411 ( 1.649 0.000 1.253) 2.071 9.415 ( 0.839 0.000 1.159) 1.431 9.432 ( 0.397 0.000 -0.973) 1.051 9.502 ( 2.184 0.000 0.286) 2.203 9.519 ( 3.677 0.000 -0.462) 3.706 9.607 ( -0.606 0.000 -0.161) 0.627 9.663 ( -2.915 0.000 0.115) 2.917 9.712 ( 0.709 0.000 1.635) 1.782 9.839 ( -2.475 0.000 0.289) 2.492 9.914 ( -1.925 0.000 -0.371) 1.960 9.976 ( 1.017 0.000 -4.042) 4.169======================= Grid point 37 (15/40) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.711 ( -15.815 0.000 3.440) 16.184 0.756 ( -16.086 0.000 8.143) 18.029 0.810 ( 13.962 0.000 7.787) 15.987 0.894 ( 10.205 0.000 10.359) 14.542 1.113 ( 0.400 0.000 -6.124) 6.137 1.219 ( 4.416 0.000 -7.268) 8.504 1.298 ( 2.665 0.000 -11.791) 12.088 1.299 ( -8.567 0.000 4.571) 9.710 1.357 ( -1.505 0.000 1.999) 2.503 1.422 ( -4.626 0.000 -4.966) 6.787 1.445 ( -4.925 0.000 -0.275) 4.932 1.562 ( -3.577 0.000 2.124) 4.160 1.606 ( -3.525 0.000 -1.844) 3.978 1.689 ( 1.594 0.000 1.341) 2.083 1.738 ( 1.902 0.000 2.640) 3.254 1.747 ( 6.751 0.000 5.846) 8.930 1.866 ( -0.448 0.000 4.606) 4.628 1.933 ( 4.395 0.000 -3.244) 5.462 1.967 ( 1.594 0.000 -0.303) 1.622 1.989 ( 4.949 0.000 -2.815) 5.693 2.043 ( -0.609 0.000 -1.041) 1.206 2.050 ( 0.389 0.000 1.056) 1.125 2.058 ( -3.946 0.000 1.864) 4.365 2.127 ( -1.502 0.000 -0.559) 1.603 2.211 ( 2.005 0.000 -5.864) 6.197 2.242 ( -1.623 0.000 -0.333) 1.657 2.259 ( 3.637 0.000 -3.559) 5.089 2.298 ( 1.456 0.000 -3.847) 4.114 2.360 ( -2.755 0.000 2.340) 3.614 2.411 ( 1.594 0.000 -2.366) 2.853 2.457 ( 1.266 0.000 -0.628) 1.413 2.497 ( 2.350 0.000 -4.206) 4.818 2.642 ( -2.110 0.000 2.189) 3.040 2.681 ( 0.229 0.000 0.437) 0.493 2.736 ( 1.004 0.000 3.943) 4.069 2.867 ( 1.296 0.000 -0.114) 1.301 2.867 ( -0.396 0.000 2.486) 2.518 2.929 ( -0.139 0.000 1.960) 1.965 3.006 ( 1.677 0.000 -2.163) 2.737 3.051 ( -0.373 0.000 -2.903) 2.926 3.086 ( -1.012 0.000 0.164) 1.025 3.141 ( -2.594 0.000 0.045) 2.594 3.159 ( 1.372 0.000 -2.268) 2.651 3.241 ( 1.102 0.000 4.668) 4.796 3.296 ( -1.306 0.000 -5.877) 6.020 3.299 ( -2.664 0.000 3.369) 4.295 3.376 ( -2.175 0.000 -2.479) 3.298 3.439 ( -1.415 0.000 -2.040) 2.483 3.457 ( -6.669 0.000 5.463) 8.621 3.476 ( 2.967 0.000 3.595) 4.661 3.519 ( -1.517 0.000 2.166) 2.644 3.557 ( 6.608 0.000 3.465) 7.461 3.599 ( 1.492 0.000 0.461) 1.562 3.633 ( -2.163 0.000 2.160) 3.057 3.728 ( 2.013 0.000 -0.643) 2.113 3.827 ( 1.730 0.000 0.407) 1.777 3.950 ( 1.384 0.000 2.953) 3.261 3.996 ( -2.519 0.000 0.236) 2.530 4.022 ( 0.710 0.000 0.167) 0.730 4.025 ( 0.798 0.000 1.894) 2.055 4.082 ( 0.783 0.000 1.012) 1.279 4.227 ( -0.096 0.000 1.566) 1.569 4.252 ( 0.035 0.000 -3.394) 3.394 4.299 ( 0.496 0.000 0.059) 0.500 4.305 ( -1.164 0.000 -0.227) 1.186 4.325 ( -0.298 0.000 -0.269) 0.402 4.384 ( -1.185 0.000 -0.667) 1.359 4.386 ( 0.455 0.000 -1.657) 1.718 4.463 ( 1.404 0.000 1.486) 2.044 4.502 ( -0.368 0.000 -0.155) 0.399 4.519 ( 0.210 0.000 0.255) 0.330 4.550 ( -2.011 0.000 2.323) 3.072 4.652 ( 1.224 0.000 -1.170) 1.693 4.680 ( -3.986 0.000 -8.185) 9.105 4.773 ( 0.049 0.000 0.253) 0.258 4.829 ( 0.524 0.000 -0.506) 0.729 4.864 ( -0.730 0.000 0.576) 0.929 4.957 ( 3.236 0.000 -1.281) 3.480 5.134 ( -3.536 0.000 1.098) 3.702 5.148 ( 0.697 0.000 -0.315) 0.765 5.172 ( -0.856 0.000 0.884) 1.230 5.210 ( 0.522 0.000 -0.009) 0.522 5.257 ( 4.101 0.000 -1.746) 4.457 5.264 ( -0.671 0.000 -1.406) 1.558 5.343 ( -1.136 0.000 0.629) 1.298 5.384 ( 2.482 0.000 1.790) 3.060 5.399 ( -1.097 0.000 -1.235) 1.652 5.445 ( 0.197 0.000 -0.737) 0.763 5.551 ( 0.181 0.000 0.504) 0.536 5.587 ( -0.659 0.000 1.379) 1.529 5.622 ( 0.623 0.000 1.342) 1.480 5.711 ( -2.125 0.000 -2.629) 3.380 5.727 ( -1.076 0.000 -0.178) 1.091 5.740 ( 1.969 0.000 -0.418) 2.013 5.977 ( 0.142 0.000 0.358) 0.385 6.004 ( 0.107 0.000 -1.148) 1.153 8.238 ( -0.213 0.000 0.560) 0.599 8.267 ( 0.192 0.000 -0.537) 0.571 8.490 ( 0.057 0.000 -0.308) 0.313 8.501 ( 0.228 0.000 0.079) 0.241 8.518 ( -0.171 0.000 0.331) 0.372 8.544 ( 0.184 0.000 -1.007) 1.024 8.741 ( 0.050 0.000 0.033) 0.059 8.777 ( 1.310 0.000 -1.858) 2.273 9.068 ( 0.184 0.000 0.992) 1.009 9.113 ( -1.018 0.000 -0.338) 1.073 9.122 ( -1.568 0.000 2.166) 2.674 9.142 ( 0.485 0.000 0.263) 0.552 9.364 ( -0.037 0.000 1.183) 1.183 9.410 ( -1.589 0.000 1.276) 2.038 9.431 ( -0.687 0.000 1.292) 1.463 9.442 ( 0.353 0.000 0.431) 0.557 9.572 ( 0.337 0.000 0.095) 0.350 9.577 ( 0.542 0.000 0.612) 0.817 9.588 ( -1.023 0.000 1.184) 1.564 9.606 ( 2.117 0.000 -1.616) 2.663 9.725 ( -0.464 0.000 0.492) 0.677 9.807 ( -0.847 0.000 1.033) 1.336 9.890 ( 0.447 0.000 -0.415) 0.610 9.965 ( 0.998 0.000 -5.537) 5.627======================= Grid point 38 (16/40) =======================q-point: (-0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.479 ( -11.171 0.000 15.039) 18.734 0.518 ( -13.474 0.000 15.004) 20.166 0.877 ( -24.109 0.000 18.166) 30.186 1.040 ( 1.008 0.000 -5.788) 5.875 1.151 ( 7.466 0.000 0.462) 7.480 1.178 ( 7.920 0.000 4.113) 8.925 1.218 ( -0.642 0.000 -5.963) 5.997 1.280 ( -0.240 0.000 -1.642) 1.659 1.306 ( 0.061 0.000 -0.603) 0.606 1.343 ( 4.796 0.000 -7.887) 9.230 1.510 ( -4.256 0.000 -2.587) 4.981 1.541 ( 5.443 0.000 -4.533) 7.083 1.543 ( 2.264 0.000 0.510) 2.320 1.731 ( 2.106 0.000 1.267) 2.458 1.802 ( -2.887 0.000 -6.591) 7.195 1.811 ( -0.223 0.000 5.479) 5.483 1.897 ( 0.563 0.000 6.688) 6.712 1.920 ( -1.556 0.000 -0.712) 1.711 1.947 ( -2.238 0.000 1.245) 2.561 1.995 ( 0.095 0.000 2.998) 3.000 2.046 ( -1.588 0.000 -1.728) 2.347 2.113 ( 5.539 0.000 -3.911) 6.781 2.133 ( 2.157 0.000 -0.091) 2.159 2.143 ( 5.644 0.000 3.879) 6.848 2.226 ( 2.542 0.000 -3.146) 4.045 2.230 ( 0.260 0.000 -4.435) 4.443 2.258 ( -1.179 0.000 -3.087) 3.304 2.312 ( -2.366 0.000 1.688) 2.906 2.319 ( 2.062 0.000 -2.161) 2.987 2.415 ( 1.096 0.000 -3.538) 3.704 2.488 ( 2.521 0.000 -1.689) 3.034 2.538 ( 3.979 0.000 -3.751) 5.468 2.611 ( -2.620 0.000 3.124) 4.077 2.674 ( -0.867 0.000 -0.231) 0.897 2.730 ( -2.834 0.000 1.773) 3.343 2.883 ( 0.094 0.000 -1.697) 1.700 2.887 ( -0.208 0.000 3.874) 3.880 2.932 ( -2.162 0.000 3.559) 4.164 2.990 ( -1.821 0.000 -3.000) 3.509 3.010 ( -0.773 0.000 -2.399) 2.521 3.010 ( -3.649 0.000 -1.422) 3.916 3.129 ( 0.268 0.000 2.249) 2.265 3.161 ( 1.313 0.000 -1.159) 1.751 3.240 ( -2.896 0.000 2.271) 3.680 3.246 ( -0.960 0.000 -2.980) 3.131 3.323 ( 1.762 0.000 3.797) 4.186 3.361 ( 1.351 0.000 -0.712) 1.527 3.386 ( -1.424 0.000 -0.528) 1.519 3.431 ( 1.842 0.000 8.564) 8.760 3.484 ( -1.450 0.000 -1.080) 1.808 3.567 ( 2.940 0.000 0.785) 3.043 3.578 ( 0.067 0.000 -2.188) 2.189 3.668 ( -0.044 0.000 0.984) 0.985 3.730 ( 5.075 0.000 0.023) 5.075 3.787 ( 4.290 0.000 1.111) 4.432 3.906 ( 1.260 0.000 0.528) 1.366 3.948 ( 3.911 0.000 1.950) 4.370 4.000 ( -0.607 0.000 0.760) 0.972 4.033 ( 1.225 0.000 1.872) 2.238 4.062 ( -1.987 0.000 0.294) 2.008 4.101 ( -1.436 0.000 2.850) 3.191 4.149 ( -5.024 0.000 -7.328) 8.885 4.239 ( -0.367 0.000 1.919) 1.954 4.261 ( -1.057 0.000 -0.094) 1.061 4.299 ( -0.792 0.000 0.510) 0.942 4.302 ( -0.406 0.000 -0.846) 0.938 4.380 ( 1.695 0.000 -1.031) 1.984 4.408 ( 1.750 0.000 0.213) 1.763 4.478 ( -1.303 0.000 -0.677) 1.469 4.493 ( -0.709 0.000 0.593) 0.924 4.500 ( -3.428 0.000 1.040) 3.582 4.529 ( -0.041 0.000 0.966) 0.967 4.552 ( -1.431 0.000 -1.116) 1.814 4.671 ( 0.963 0.000 -0.958) 1.358 4.773 ( -0.025 0.000 0.812) 0.812 4.826 ( -0.082 0.000 -1.976) 1.978 4.862 ( -0.159 0.000 1.980) 1.987 4.990 ( 0.810 0.000 -4.702) 4.772 5.060 ( -2.597 0.000 0.502) 2.645 5.156 ( -0.361 0.000 0.796) 0.874 5.173 ( 0.392 0.000 0.555) 0.679 5.210 ( -0.284 0.000 -0.389) 0.482 5.259 ( 0.488 0.000 0.139) 0.507 5.319 ( -0.730 0.000 1.446) 1.620 5.329 ( -0.201 0.000 -0.541) 0.577 5.378 ( 2.262 0.000 -3.872) 4.484 5.459 ( 3.170 0.000 0.783) 3.265 5.465 ( 1.941 0.000 -0.217) 1.953 5.542 ( -1.672 0.000 1.277) 2.104 5.561 ( -1.728 0.000 -0.167) 1.736 5.642 ( -0.437 0.000 2.521) 2.558 5.650 ( -2.154 0.000 -2.161) 3.051 5.704 ( -0.386 0.000 -0.513) 0.642 5.766 ( 1.033 0.000 -0.523) 1.157 5.982 ( 0.140 0.000 0.149) 0.205 5.997 ( -0.106 0.000 -0.915) 0.921 8.238 ( -0.205 0.000 0.488) 0.529 8.267 ( 0.135 0.000 -0.499) 0.517 8.493 ( 0.369 0.000 0.177) 0.409 8.510 ( 0.479 0.000 0.051) 0.482 8.513 ( -0.441 0.000 0.148) 0.465 8.541 ( 0.233 0.000 -1.089) 1.114 8.745 ( 0.312 0.000 -0.413) 0.518 8.793 ( 1.259 0.000 -2.255) 2.583 9.087 ( 0.600 0.000 0.978) 1.147 9.101 ( 0.144 0.000 0.012) 0.144 9.104 ( -1.240 0.000 2.754) 3.020 9.150 ( 0.082 0.000 0.713) 0.718 9.366 ( -1.231 0.000 1.310) 1.797 9.377 ( -2.353 0.000 1.038) 2.572 9.397 ( -2.597 0.000 0.926) 2.758 9.444 ( -0.151 0.000 -0.216) 0.263 9.507 ( -2.146 0.000 0.331) 2.172 9.557 ( -2.082 0.000 -1.773) 2.734 9.633 ( 0.431 0.000 -1.206) 1.281 9.650 ( 2.126 0.000 0.471) 2.178 9.712 ( -0.735 0.000 0.809) 1.093 9.847 ( 3.927 0.000 3.823) 5.481 9.919 ( 1.897 0.000 -0.141) 1.902 9.943 ( 0.425 0.000 -6.236) 6.251======================= Grid point 39 (17/40) =======================q-point: ( 0.00 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.517 ( -2.976 12.529 11.493) 17.260 0.573 ( -1.126 9.214 15.663) 18.207 0.919 ( -0.359 10.915 21.518) 24.131 1.085 ( -1.154 6.465 -6.175) 9.015 1.211 ( 4.329 5.073 -9.924) 11.956 1.269 ( -2.536 2.696 0.213) 3.707 1.279 ( -5.119 4.111 0.572) 6.590 1.321 ( 4.516 2.401 -1.491) 5.328 1.374 ( 3.326 2.270 4.608) 6.119 1.389 ( -2.859 2.640 -3.868) 5.487 1.458 ( 3.121 0.381 -3.489) 4.697 1.572 ( -1.646 4.287 1.374) 4.793 1.634 ( 2.161 -3.771 -4.156) 6.014 1.687 ( 0.779 -4.103 -2.231) 4.735 1.780 ( 1.322 1.423 0.890) 2.136 1.842 ( 1.202 -1.667 -2.345) 3.118 1.882 ( 1.040 -2.864 -1.439) 3.370 1.935 ( -1.041 -2.904 3.610) 4.749 1.948 ( 0.411 1.709 4.402) 4.740 1.990 ( -1.517 1.345 1.089) 2.301 2.044 ( 1.609 -0.739 -2.161) 2.794 2.067 ( -0.788 1.281 0.347) 1.543 2.102 ( -2.025 -1.424 -3.660) 4.419 2.146 ( -2.553 0.670 -2.732) 3.799 2.219 ( 1.240 0.130 -3.784) 3.984 2.233 ( -0.311 -0.568 -0.483) 0.808 2.303 ( 0.760 -0.548 -2.554) 2.721 2.342 ( -0.310 2.050 1.401) 2.502 2.367 ( 2.159 2.656 -1.742) 3.841 2.409 ( 0.109 0.609 -3.538) 3.591 2.501 ( -1.168 -0.051 -1.476) 1.883 2.560 ( 1.594 -2.687 -0.571) 3.176 2.607 ( 0.241 -3.806 0.820) 3.900 2.647 ( -0.077 1.350 -1.033) 1.702 2.731 ( 1.135 -0.801 4.234) 4.456 2.816 ( -5.546 0.589 0.262) 5.583 2.869 ( 0.025 -0.019 -0.117) 0.121 2.900 ( -2.063 1.394 0.656) 2.575 2.931 ( 2.227 -2.550 -1.442) 3.680 3.015 ( 0.703 1.644 -1.340) 2.234 3.035 ( 2.094 -0.557 -0.205) 2.177 3.115 ( -0.777 -3.443 1.607) 3.879 3.151 ( -0.876 -2.777 0.702) 2.995 3.188 ( -0.665 -2.734 2.449) 3.730 3.228 ( -2.657 0.136 3.373) 4.296 3.291 ( -1.895 -2.015 -0.302) 2.782 3.302 ( 0.246 -1.471 -0.515) 1.577 3.427 ( 2.226 -2.363 1.145) 3.442 3.465 ( 2.775 2.688 3.327) 5.098 3.497 ( -1.065 1.547 2.934) 3.484 3.548 ( -4.396 1.344 -1.883) 4.967 3.599 ( -1.639 -1.885 -2.705) 3.682 3.630 ( 0.470 1.319 0.780) 1.602 3.755 ( 2.530 -2.762 1.767) 4.142 3.820 ( 0.331 -0.812 0.528) 1.024 3.883 ( -0.478 -0.956 -3.802) 3.949 3.931 ( -1.838 -0.377 0.999) 2.126 3.957 ( 1.553 -1.471 1.233) 2.469 3.998 ( 6.368 -1.743 1.045) 6.684 4.035 ( -5.611 -1.854 0.690) 5.949 4.119 ( 0.782 -0.359 0.129) 0.870 4.159 ( 0.182 1.860 -1.024) 2.131 4.259 ( -0.198 0.352 -1.308) 1.369 4.276 ( -0.141 0.587 -0.225) 0.645 4.285 ( -0.638 0.039 0.031) 0.640 4.312 ( 0.401 1.605 -0.960) 1.913 4.383 ( -0.149 -1.521 0.046) 1.529 4.412 ( 0.560 -1.190 -0.841) 1.561 4.463 ( -0.184 -0.111 0.724) 0.756 4.505 ( -1.414 2.783 -0.504) 3.163 4.508 ( -0.069 0.091 0.516) 0.528 4.523 ( 0.642 1.721 0.666) 1.954 4.579 ( -0.148 1.616 0.484) 1.694 4.673 ( -0.025 0.121 -1.569) 1.574 4.769 ( -0.234 -0.918 1.040) 1.407 4.820 ( 0.167 -0.374 -1.195) 1.263 4.898 ( 0.131 2.544 1.075) 2.765 4.981 ( 0.796 0.092 -2.262) 2.399 5.069 ( 0.982 1.019 2.432) 2.813 5.155 ( -0.151 0.698 0.475) 0.858 5.186 ( 0.230 0.152 0.510) 0.579 5.208 ( 0.213 0.371 -0.553) 0.699 5.271 ( -1.228 -0.289 -0.493) 1.355 5.293 ( 0.227 1.054 -0.210) 1.098 5.327 ( 0.324 -0.480 0.348) 0.676 5.391 ( 1.839 -2.975 -1.519) 3.813 5.433 ( -1.853 -2.004 -1.501) 3.115 5.461 ( -1.287 -0.957 -2.002) 2.565 5.524 ( -0.093 -0.329 1.726) 1.760 5.555 ( 0.547 -1.161 1.328) 1.847 5.641 ( 1.383 1.196 0.482) 1.891 5.651 ( -1.130 1.694 0.903) 2.228 5.717 ( 0.915 -0.017 0.430) 1.011 5.770 ( -0.002 -0.492 -0.943) 1.064 5.968 ( -0.112 -1.278 0.115) 1.288 5.988 ( 0.608 -1.122 -0.351) 1.323 8.242 ( -0.015 0.447 0.322) 0.551 8.268 ( 0.302 -0.049 -0.420) 0.520 8.499 ( -0.411 0.130 0.286) 0.517 8.510 ( 0.248 0.009 0.062) 0.255 8.515 ( -0.184 0.133 0.035) 0.230 8.543 ( 0.537 -0.028 -0.872) 1.025 8.751 ( 0.318 0.508 -0.308) 0.674 8.792 ( -0.066 0.109 -2.069) 2.073 9.084 ( -0.907 0.625 0.497) 1.208 9.105 ( 0.360 -0.276 0.992) 1.091 9.141 ( -0.027 0.346 0.872) 0.939 9.176 ( 1.383 0.469 1.810) 2.326 9.353 ( -2.191 1.790 0.318) 2.847 9.366 ( 0.843 0.486 0.150) 0.985 9.390 ( 1.547 0.653 0.732) 1.832 9.431 ( -0.241 -0.334 -0.744) 0.850 9.488 ( 0.419 0.546 0.761) 1.027 9.525 ( -1.084 1.903 -1.419) 2.610 9.636 ( -0.392 1.259 -0.389) 1.374 9.672 ( 1.095 -0.652 -0.125) 1.280 9.686 ( -1.188 -1.763 1.939) 2.878 9.837 ( -1.449 -4.375 0.347) 4.622 9.909 ( 2.040 -2.780 -1.029) 3.598 9.950 ( -0.303 -1.257 -1.637) 2.086======================= Grid point 40 (18/40) =======================q-point: ( 0.25 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.608 ( 6.529 11.325 9.265) 16.023 0.710 ( 5.693 6.754 11.530) 14.524 1.011 ( -4.154 0.926 -1.876) 4.652 1.089 ( -11.013 5.791 1.506) 12.533 1.143 ( -6.056 4.370 -3.612) 8.296 1.212 ( 7.198 2.502 13.488) 15.492 1.248 ( 4.429 5.690 -10.382) 12.640 1.314 ( 0.686 1.139 -3.151) 3.420 1.406 ( 4.029 3.791 4.396) 7.066 1.423 ( -0.610 2.622 -0.164) 2.697 1.484 ( 0.127 0.533 -2.385) 2.448 1.558 ( 0.777 -2.264 0.630) 2.475 1.617 ( 0.305 -1.251 -0.633) 1.434 1.708 ( -1.620 -4.342 0.185) 4.638 1.782 ( 1.280 2.102 -1.197) 2.736 1.801 ( -2.539 0.327 -0.250) 2.572 1.842 ( -9.237 0.291 -0.232) 9.244 1.929 ( 1.551 1.280 -6.483) 6.787 1.955 ( -0.204 -0.840 -0.457) 0.978 1.988 ( -1.367 4.553 1.283) 4.924 2.008 ( 1.288 -1.476 5.957) 6.270 2.089 ( 1.468 2.374 -0.549) 2.845 2.103 ( 1.098 -1.402 -0.555) 1.866 2.157 ( 3.082 -0.802 -1.051) 3.353 2.185 ( -1.808 0.303 -3.040) 3.550 2.216 ( -0.172 -1.732 -4.559) 4.880 2.273 ( -1.291 -0.675 -2.868) 3.217 2.327 ( -1.755 0.933 -0.309) 2.011 2.369 ( 0.503 -0.596 -4.004) 4.079 2.408 ( 0.672 3.549 3.216) 4.836 2.440 ( -1.833 -0.195 -0.667) 1.960 2.543 ( -1.215 1.011 -2.406) 2.879 2.597 ( 0.204 -5.224 -0.099) 5.229 2.664 ( 0.256 -1.151 0.280) 1.212 2.728 ( -2.657 1.809 0.748) 3.300 2.801 ( 1.529 -3.022 3.405) 4.803 2.878 ( 0.008 1.196 2.688) 2.942 2.900 ( 1.951 0.363 0.891) 2.176 2.983 ( 1.444 -2.576 -2.796) 4.067 3.013 ( 1.516 -0.118 -0.583) 1.629 3.096 ( 2.823 -2.776 0.928) 4.067 3.123 ( 0.057 0.796 -1.689) 1.868 3.143 ( -1.738 -0.462 -0.808) 1.971 3.180 ( 0.550 -2.314 5.050) 5.582 3.224 ( -0.074 -3.920 6.055) 7.213 3.293 ( 3.990 -0.475 -2.377) 4.669 3.358 ( 1.942 -1.357 1.735) 2.937 3.453 ( -0.408 0.402 -1.245) 1.370 3.462 ( -0.003 -1.439 -0.357) 1.483 3.500 ( -2.848 -1.084 -0.889) 3.174 3.522 ( -1.464 -0.198 -0.616) 1.601 3.582 ( 1.391 3.432 4.591) 5.899 3.630 ( -0.830 1.884 2.966) 3.610 3.739 ( -6.141 0.444 -1.701) 6.387 3.765 ( -3.431 1.010 -4.208) 5.523 3.810 ( -1.510 0.292 -0.241) 1.556 3.928 ( 0.114 -1.322 0.448) 1.400 3.949 ( -0.260 -0.515 0.973) 1.131 3.978 ( 1.553 -0.314 2.405) 2.880 4.064 ( -1.395 -1.102 0.244) 1.794 4.109 ( -1.637 -0.040 -0.110) 1.641 4.230 ( 0.522 -0.348 -1.235) 1.385 4.259 ( 2.188 1.395 -0.992) 2.778 4.286 ( 1.031 -0.007 -0.120) 1.038 4.299 ( 1.116 -0.294 0.499) 1.257 4.324 ( 0.598 1.043 0.327) 1.246 4.378 ( 1.061 -0.068 -0.993) 1.455 4.401 ( -0.244 -0.802 -0.357) 0.911 4.469 ( -0.798 1.896 0.198) 2.066 4.498 ( 0.060 -0.058 1.275) 1.278 4.508 ( 1.596 0.603 -0.234) 1.722 4.561 ( 0.789 0.584 1.449) 1.750 4.603 ( 4.184 -2.661 -0.614) 4.996 4.659 ( -0.012 0.566 -1.650) 1.745 4.766 ( -0.596 -0.623 0.641) 1.075 4.815 ( 0.038 -1.093 -0.648) 1.271 4.906 ( 0.191 3.065 0.649) 3.138 4.969 ( -0.749 -0.011 -2.714) 2.815 5.126 ( 1.811 0.447 2.980) 3.515 5.155 ( 0.099 0.897 -0.213) 0.927 5.190 ( -0.669 -0.267 0.686) 0.994 5.207 ( -0.453 -0.043 -0.529) 0.698 5.227 ( -0.031 0.211 -2.721) 2.729 5.294 ( -0.320 0.400 -1.824) 1.894 5.339 ( -0.033 -0.996 2.276) 2.485 5.358 ( -2.552 -2.278 0.302) 3.434 5.422 ( -0.677 -0.042 -1.593) 1.731 5.433 ( 0.682 -1.699 -0.302) 1.856 5.535 ( 0.617 -0.464 0.121) 0.782 5.567 ( -0.154 -0.970 1.512) 1.803 5.631 ( -0.896 1.335 0.442) 1.667 5.694 ( 2.614 0.399 0.278) 2.659 5.737 ( 0.308 0.038 0.611) 0.685 5.750 ( -1.162 -0.811 -1.629) 2.159 5.967 ( -0.135 -0.904 0.230) 0.943 5.994 ( 0.276 -1.358 -0.916) 1.661 8.241 ( -0.207 0.274 0.371) 0.505 8.267 ( 0.017 -0.062 -0.569) 0.572 8.494 ( -0.010 0.246 -0.099) 0.265 8.509 ( -0.064 0.330 -0.013) 0.336 8.521 ( 0.233 0.441 0.158) 0.523 8.546 ( 0.213 -0.024 -0.759) 0.788 8.751 ( -0.227 0.664 0.046) 0.704 8.779 ( 0.277 0.433 -1.863) 1.932 9.074 ( -0.421 0.687 0.605) 1.008 9.117 ( 0.114 -0.335 1.252) 1.301 9.138 ( -0.304 0.375 -0.055) 0.486 9.174 ( -2.016 1.888 0.923) 2.912 9.353 ( 0.551 -0.085 0.846) 1.013 9.388 ( 1.269 -0.593 1.107) 1.785 9.427 ( 0.314 -0.511 -0.773) 0.978 9.455 ( 1.749 1.919 0.787) 2.713 9.505 ( 1.522 0.220 0.301) 1.567 9.527 ( 2.708 0.857 -0.932) 2.990 9.620 ( -0.768 1.258 -0.601) 1.592 9.651 ( -2.695 -1.120 0.360) 2.941 9.698 ( 0.539 -1.401 1.471) 2.101 9.797 ( -2.256 -3.363 0.957) 4.161 9.910 ( -1.664 -0.952 -1.057) 2.189 9.939 ( 1.363 -3.163 -2.658) 4.351======================= Grid point 41 (19/40) =======================q-point: (-0.50 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( -13.289 6.169 1.913) 14.776 0.810 ( -10.793 1.933 5.300) 12.178 0.873 ( 11.405 5.874 7.339) 14.780 0.976 ( 5.143 9.893 9.424) 14.599 1.116 ( 3.472 0.590 -5.584) 6.602 1.254 ( 1.897 1.503 -6.942) 7.352 1.283 ( -0.476 1.001 -0.773) 1.352 1.302 ( -0.900 0.587 -4.995) 5.109 1.413 ( 0.150 0.994 -2.113) 2.340 1.431 ( -2.673 3.228 -2.561) 4.911 1.457 ( -4.476 0.378 -1.526) 4.744 1.551 ( -7.208 0.831 2.951) 7.833 1.597 ( -4.213 -0.236 -1.839) 4.603 1.698 ( 2.878 -0.827 1.899) 3.546 1.708 ( 1.615 0.912 3.383) 3.859 1.776 ( 3.944 -0.972 2.860) 4.968 1.848 ( 1.716 1.540 1.337) 2.665 1.952 ( 0.328 -2.350 1.306) 2.708 1.981 ( 4.804 3.779 -2.770) 6.711 2.020 ( 1.675 2.928 -1.642) 3.752 2.041 ( -1.931 0.670 4.731) 5.154 2.059 ( -2.062 -0.091 2.024) 2.890 2.102 ( -0.563 -1.664 -1.571) 2.356 2.128 ( 0.988 5.094 -2.961) 5.974 2.184 ( 0.884 -1.324 -5.093) 5.336 2.239 ( 3.573 -2.023 -3.142) 5.170 2.250 ( 0.955 -0.469 -1.799) 2.090 2.294 ( -0.458 0.988 0.163) 1.101 2.354 ( -0.681 -1.162 -2.253) 2.625 2.417 ( 0.234 -0.665 -0.206) 0.734 2.440 ( 0.420 2.029 0.834) 2.233 2.533 ( 1.208 0.484 -2.384) 2.716 2.604 ( -0.408 -3.184 2.545) 4.096 2.663 ( 0.195 -1.290 0.132) 1.311 2.731 ( 0.418 -0.233 2.287) 2.337 2.831 ( 0.418 -1.666 1.937) 2.589 2.889 ( -0.484 0.974 1.941) 2.225 2.943 ( 0.718 0.796 1.117) 1.548 2.984 ( 0.823 -1.870 -1.051) 2.297 3.044 ( -0.250 -0.083 -1.302) 1.328 3.094 ( -0.873 -3.067 0.901) 3.314 3.116 ( -0.998 -1.619 -1.378) 2.349 3.134 ( 1.258 -0.109 -0.158) 1.273 3.218 ( 0.778 -1.279 1.418) 2.062 3.259 ( -2.348 -4.936 6.255) 8.307 3.290 ( -2.965 -2.091 -2.347) 4.321 3.362 ( -0.671 0.273 -2.735) 2.829 3.406 ( -1.698 -0.661 -0.600) 1.918 3.466 ( -1.251 -0.260 0.183) 1.290 3.496 ( 0.540 1.276 1.915) 2.364 3.548 ( 4.862 -1.212 0.682) 5.057 3.582 ( -0.865 -0.189 2.718) 2.859 3.601 ( -0.987 5.213 1.169) 5.433 3.633 ( -3.216 0.408 -2.457) 4.068 3.727 ( 1.048 -0.046 -0.110) 1.055 3.804 ( 0.862 -0.299 -1.345) 1.625 3.976 ( 1.335 0.615 3.204) 3.525 3.981 ( 1.391 -2.070 1.310) 2.817 4.019 ( -0.650 -0.498 1.472) 1.685 4.030 ( 0.737 0.682 1.540) 1.838 4.090 ( 0.495 0.305 -0.153) 0.601 4.229 ( 0.625 -0.326 -0.201) 0.732 4.267 ( 0.081 1.361 -1.764) 2.230 4.296 ( 0.305 -0.163 -0.101) 0.360 4.301 ( -1.001 -0.311 -0.056) 1.050 4.326 ( -0.209 0.142 0.223) 0.337 4.393 ( 0.195 0.796 -1.346) 1.576 4.397 ( -0.034 0.947 -0.705) 1.181 4.471 ( 0.703 0.923 1.194) 1.665 4.496 ( -0.616 -0.301 0.857) 1.098 4.529 ( 0.214 1.203 0.405) 1.287 4.561 ( -1.439 0.746 1.062) 1.938 4.617 ( -2.247 -3.959 -4.564) 6.446 4.665 ( 0.346 -0.322 -2.575) 2.618 4.766 ( 0.170 -0.609 0.584) 0.861 4.815 ( 0.525 -1.358 -0.842) 1.682 4.908 ( -0.873 3.877 0.442) 3.999 4.963 ( 2.651 0.776 -0.690) 2.847 5.131 ( -2.709 -0.258 0.706) 2.811 5.157 ( -0.024 0.731 -0.245) 0.771 5.172 ( -0.881 0.108 0.844) 1.225 5.209 ( 0.748 -0.186 0.250) 0.810 5.240 ( 2.003 -1.559 -2.168) 3.338 5.273 ( 0.771 0.810 -1.008) 1.505 5.334 ( -0.849 -0.868 0.810) 1.459 5.365 ( 0.550 -0.798 2.247) 2.447 5.405 ( 0.466 0.068 -0.889) 1.006 5.440 ( 0.531 -0.569 -0.498) 0.923 5.547 ( 0.072 -0.388 0.251) 0.467 5.569 ( -0.551 -1.427 1.041) 1.850 5.628 ( 0.343 0.627 0.969) 1.205 5.702 ( -2.040 -0.655 -2.249) 3.107 5.732 ( -0.435 0.265 -0.021) 0.510 5.742 ( 1.345 0.228 -0.059) 1.365 5.967 ( -0.040 -0.988 0.243) 1.018 5.992 ( 0.132 -1.222 -0.891) 1.518 8.239 ( -0.194 0.170 0.378) 0.458 8.264 ( 0.090 -0.286 -0.545) 0.623 8.495 ( 0.084 0.452 -0.196) 0.500 8.511 ( 0.329 0.677 -0.111) 0.761 8.522 ( -0.258 0.453 0.280) 0.592 8.544 ( 0.101 -0.033 -0.741) 0.749 8.748 ( -0.121 0.697 0.158) 0.725 8.783 ( 1.204 0.572 -1.513) 2.017 9.076 ( 0.171 0.646 0.873) 1.099 9.118 ( -0.750 0.465 0.602) 1.069 9.134 ( -0.960 0.841 -0.129) 1.282 9.142 ( -0.414 0.097 0.705) 0.823 9.363 ( -0.007 -0.110 1.139) 1.144 9.407 ( -0.554 -0.086 0.562) 0.794 9.435 ( 0.489 -0.157 0.429) 0.669 9.446 ( -1.648 0.575 0.773) 1.909 9.563 ( 0.940 -0.869 0.112) 1.285 9.580 ( -0.222 0.295 0.689) 0.782 9.593 ( -0.287 0.032 0.828) 0.877 9.606 ( 1.078 -0.095 -2.097) 2.360 9.709 ( -0.259 -1.794 0.531) 1.888 9.774 ( -0.511 -2.008 1.934) 2.835 9.885 ( 0.330 -1.243 -1.268) 1.806 9.943 ( 1.074 -1.700 -3.479) 4.018======================= Grid point 42 (20/40) =======================q-point: (-0.25 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -9.170 8.668 10.969) 16.719 0.592 ( -11.878 6.078 10.302) 16.857 1.004 ( -11.669 8.395 10.410) 17.749 1.143 ( 1.291 10.628 -2.759) 11.056 1.179 ( 5.004 1.801 0.861) 5.388 1.225 ( 3.555 4.163 2.466) 6.004 1.234 ( 3.320 4.529 -2.869) 6.306 1.296 ( 1.819 -0.473 -4.539) 4.912 1.304 ( -0.818 2.268 0.484) 2.459 1.391 ( 1.107 3.809 -4.070) 5.684 1.495 ( -1.830 0.094 -2.922) 3.449 1.518 ( 5.619 -1.621 -1.417) 6.017 1.562 ( 3.806 0.483 -2.071) 4.360 1.750 ( 1.577 -1.474 1.052) 2.401 1.766 ( 0.300 -0.978 1.724) 2.004 1.814 ( -3.285 -0.549 -4.691) 5.753 1.861 ( 2.424 -2.065 -0.864) 3.299 1.947 ( -1.517 -1.097 3.115) 3.635 1.964 ( -3.768 2.878 3.461) 5.870 1.996 ( -0.986 1.351 1.988) 2.597 2.036 ( -1.913 -2.456 0.252) 3.123 2.090 ( 2.776 0.669 -3.271) 4.342 2.115 ( 1.616 -1.768 0.564) 2.461 2.184 ( 1.439 3.044 -0.457) 3.398 2.195 ( 3.619 0.080 -3.638) 5.132 2.245 ( 0.115 -0.811 -2.769) 2.887 2.276 ( 1.887 -1.664 -1.863) 3.131 2.317 ( 1.227 2.678 2.437) 3.823 2.340 ( 1.503 1.160 -2.889) 3.457 2.432 ( -0.092 1.984 -2.640) 3.304 2.444 ( 2.548 -1.627 -1.384) 3.325 2.551 ( 2.116 -1.847 -0.884) 2.944 2.602 ( -1.743 -1.445 2.471) 3.351 2.673 ( 0.046 1.068 -0.631) 1.241 2.720 ( -2.228 -1.198 2.595) 3.624 2.854 ( 0.873 -1.943 -0.512) 2.191 2.884 ( -1.100 -0.327 1.911) 2.229 2.952 ( -2.754 -0.371 1.363) 3.095 2.971 ( -1.556 -0.253 -0.649) 1.704 3.020 ( 0.210 1.077 -1.500) 1.858 3.030 ( -3.330 1.666 -1.233) 3.923 3.111 ( 0.820 -2.372 1.784) 3.079 3.136 ( -0.315 -2.974 -0.921) 3.130 3.212 ( -1.432 -1.677 -2.138) 3.072 3.255 ( -1.938 -0.637 1.995) 2.853 3.279 ( 2.344 -4.435 4.069) 6.459 3.318 ( -1.105 -1.036 1.052) 1.844 3.401 ( 0.515 0.650 1.943) 2.112 3.427 ( -2.077 1.367 -0.587) 2.555 3.535 ( -1.646 0.296 1.853) 2.496 3.543 ( 1.892 0.202 2.857) 3.432 3.604 ( 0.974 1.456 -1.961) 2.630 3.644 ( 1.236 -1.108 0.230) 1.676 3.670 ( 4.403 -4.207 0.861) 6.150 3.768 ( 2.803 -1.142 1.286) 3.288 3.827 ( 2.682 -1.606 -1.586) 3.506 3.926 ( -1.779 -0.449 0.329) 1.864 4.012 ( -1.916 0.019 -0.628) 2.016 4.040 ( -3.758 -1.709 0.581) 4.169 4.072 ( 1.522 -1.672 2.660) 3.491 4.094 ( 0.366 -0.129 0.619) 0.731 4.206 ( -2.920 2.532 -5.115) 6.411 4.261 ( 0.212 0.305 -0.187) 0.416 4.277 ( 0.741 0.926 -0.079) 1.188 4.299 ( -0.807 0.126 0.441) 0.928 4.312 ( 0.250 0.822 -0.682) 1.097 4.382 ( -0.104 0.380 -0.531) 0.661 4.402 ( 0.721 -0.337 -1.083) 1.344 4.485 ( -0.810 0.329 2.082) 2.258 4.488 ( -0.249 -0.313 0.120) 0.418 4.519 ( -1.991 1.586 -0.355) 2.571 4.529 ( -0.085 0.908 0.418) 1.004 4.561 ( 0.733 1.092 0.460) 1.394 4.673 ( 0.934 0.137 -1.195) 1.523 4.766 ( -0.221 -0.594 0.614) 0.882 4.820 ( 0.553 -0.872 -1.378) 1.723 4.895 ( -0.646 3.235 0.935) 3.429 4.991 ( 0.255 0.393 -2.493) 2.536 5.072 ( -1.869 0.722 0.423) 2.047 5.157 ( -0.502 0.508 0.860) 1.118 5.175 ( 0.535 0.217 0.484) 0.753 5.212 ( -0.229 0.201 -0.274) 0.410 5.264 ( 1.206 0.317 -0.668) 1.415 5.312 ( 0.209 -0.751 1.476) 1.669 5.324 ( -0.594 -0.425 0.234) 0.767 5.355 ( 1.438 -1.716 -2.727) 3.529 5.448 ( 2.083 -0.854 0.428) 2.292 5.458 ( 1.240 -1.069 -0.616) 1.750 5.534 ( -1.437 -0.640 1.124) 1.934 5.554 ( -1.262 -0.672 0.084) 1.432 5.641 ( -0.621 0.168 -0.089) 0.650 5.660 ( -0.367 0.840 0.463) 1.027 5.712 ( -0.671 0.638 -0.458) 1.033 5.765 ( 0.846 -0.091 -0.331) 0.913 5.969 ( 0.064 -1.301 0.218) 1.320 5.986 ( -0.121 -1.135 -0.705) 1.341 8.239 ( -0.041 0.301 0.347) 0.461 8.264 ( 0.201 -0.285 -0.374) 0.511 8.496 ( 0.175 0.345 0.098) 0.399 8.514 ( -0.424 0.104 0.206) 0.482 8.519 ( 0.126 0.607 -0.118) 0.631 8.540 ( 0.158 -0.085 -0.866) 0.884 8.748 ( 0.150 0.387 -0.246) 0.482 8.797 ( 0.904 0.363 -1.794) 2.041 9.090 ( 0.347 0.370 0.967) 1.092 9.103 ( -1.001 0.472 0.571) 1.246 9.120 ( 0.389 0.891 0.952) 1.360 9.149 ( 0.197 -0.201 0.823) 0.869 9.368 ( -0.529 0.327 1.045) 1.216 9.382 ( -1.491 0.171 0.598) 1.615 9.411 ( -2.073 1.102 0.073) 2.349 9.443 ( -0.357 0.054 0.479) 0.599 9.504 ( -2.815 -0.164 0.248) 2.831 9.561 ( -1.338 0.401 -1.570) 2.101 9.632 ( 1.062 -0.461 0.338) 1.206 9.639 ( 2.191 -0.652 -0.237) 2.298 9.698 ( -0.799 -1.365 0.342) 1.618 9.812 ( 2.069 -2.522 3.042) 4.461 9.893 ( 0.931 -2.460 -2.214) 3.438 9.946 ( 1.440 -0.276 -2.658) 3.035======================= Grid point 43 (21/40) =======================q-point: ( 0.00 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.761 ( 0.154 10.908 6.742) 12.824 0.800 ( 2.885 14.760 7.949) 17.011 1.088 ( -2.311 8.213 7.153) 11.133 1.199 ( -2.122 2.244 -1.567) 3.464 1.302 ( -1.230 2.214 -0.610) 2.605 1.333 ( -1.282 4.290 -3.245) 5.529 1.369 ( 2.320 4.007 -4.571) 6.506 1.383 ( 5.584 2.453 0.835) 6.156 1.418 ( 1.761 0.385 -4.706) 5.039 1.437 ( -0.999 4.662 -3.231) 5.760 1.507 ( -3.222 -1.927 0.390) 3.774 1.562 ( 1.537 -1.225 -0.797) 2.121 1.652 ( -2.025 9.128 5.182) 10.690 1.665 ( -1.934 0.569 -4.516) 4.945 1.748 ( -0.361 -4.761 -4.128) 6.312 1.786 ( 4.492 -2.078 -0.777) 5.010 1.849 ( 3.585 -2.345 1.152) 4.436 1.866 ( 1.547 -2.890 0.396) 3.302 1.949 ( -2.544 -0.435 1.008) 2.771 2.003 ( 0.051 -2.346 1.370) 2.717 2.070 ( -1.806 2.242 0.127) 2.881 2.074 ( -0.413 1.802 -1.086) 2.144 2.123 ( 0.196 4.218 3.319) 5.371 2.166 ( -2.718 1.258 -0.220) 3.003 2.199 ( 1.051 -1.305 -3.478) 3.860 2.234 ( -0.729 0.242 -1.192) 1.418 2.297 ( 0.059 -0.281 -0.228) 0.367 2.374 ( -0.122 0.419 1.995) 2.042 2.383 ( 1.822 1.519 -2.640) 3.549 2.456 ( 1.301 1.065 -2.401) 2.931 2.483 ( 1.600 -3.208 1.605) 3.928 2.509 ( -4.562 0.018 -0.647) 4.608 2.548 ( 1.428 -1.299 1.190) 2.268 2.679 ( -0.095 -0.328 -1.989) 2.018 2.707 ( 0.262 -0.158 3.462) 3.476 2.821 ( -2.683 0.029 2.163) 3.447 2.867 ( -0.745 -1.238 -0.897) 1.701 2.889 ( 2.633 -0.250 0.027) 2.645 2.939 ( -0.449 1.680 1.096) 2.056 2.995 ( -2.177 -2.933 0.105) 3.654 3.017 ( 1.345 -2.776 0.555) 3.135 3.043 ( -2.676 -1.197 -3.042) 4.224 3.119 ( 1.097 -0.544 0.553) 1.343 3.156 ( -1.274 -0.868 1.290) 2.010 3.246 ( -2.071 -1.759 1.728) 3.220 3.256 ( 0.437 2.344 -0.590) 2.456 3.299 ( 3.185 -0.885 -0.487) 3.341 3.393 ( 0.374 -3.987 -0.010) 4.005 3.459 ( 1.480 -4.245 -0.484) 4.521 3.484 ( -1.095 -1.752 1.396) 2.493 3.558 ( 0.526 2.145 -0.926) 2.395 3.564 ( -0.339 -0.786 -0.541) 1.012 3.669 ( -1.489 1.506 1.153) 2.411 3.712 ( 0.169 -0.934 4.456) 4.556 3.808 ( 0.349 0.423 0.550) 0.777 3.854 ( 0.767 -0.264 -2.163) 2.310 3.933 ( 3.732 -0.657 0.989) 3.917 3.954 ( -1.788 -0.740 -0.966) 2.162 3.961 ( -0.142 -2.742 -0.304) 2.763 3.991 ( -1.621 -1.480 -0.011) 2.195 4.107 ( 0.974 -0.421 0.614) 1.226 4.156 ( 0.002 -1.945 -2.050) 2.826 4.273 ( 0.782 0.814 -0.028) 1.129 4.281 ( 0.022 0.317 0.294) 0.433 4.305 ( -1.203 2.120 0.224) 2.448 4.341 ( 0.310 1.431 0.342) 1.504 4.386 ( -1.279 -0.670 -0.556) 1.547 4.390 ( 0.922 1.420 -0.691) 1.828 4.459 ( 0.402 -0.187 0.682) 0.814 4.496 ( -0.499 -0.805 1.034) 1.402 4.545 ( 0.216 1.306 -0.262) 1.349 4.561 ( -0.494 1.570 0.092) 1.649 4.608 ( -0.214 1.119 -0.489) 1.240 4.669 ( 0.201 -0.495 -1.492) 1.585 4.753 ( -0.098 -0.667 0.492) 0.835 4.796 ( -0.316 -1.744 -1.067) 2.069 4.956 ( 0.272 2.907 0.133) 2.923 4.986 ( -0.246 0.474 -0.909) 1.054 5.102 ( 1.007 2.346 2.168) 3.350 5.171 ( -0.154 0.627 0.671) 0.931 5.190 ( 0.006 0.297 0.230) 0.376 5.222 ( -0.018 1.060 -0.476) 1.162 5.265 ( -0.959 -0.635 -1.807) 2.143 5.298 ( -0.038 -0.964 -0.819) 1.265 5.311 ( 0.112 -2.013 1.598) 2.573 5.348 ( 0.783 0.335 -0.354) 0.923 5.390 ( -1.300 -2.157 -1.163) 2.774 5.440 ( -0.125 -1.121 -1.345) 1.756 5.520 ( -0.469 -0.008 0.857) 0.977 5.540 ( 0.408 -0.486 0.320) 0.711 5.666 ( 1.187 1.291 0.822) 1.936 5.682 ( -0.811 1.379 0.747) 1.765 5.716 ( 0.581 -0.052 0.215) 0.622 5.759 ( -0.522 -0.715 -0.662) 1.106 5.939 ( 0.039 -1.550 0.286) 1.577 5.959 ( 0.308 -1.808 -0.197) 1.845 8.251 ( -0.001 0.488 -0.104) 0.499 8.266 ( 0.316 -0.081 -0.255) 0.414 8.504 ( -0.422 0.224 0.151) 0.501 8.510 ( 0.188 0.033 -0.058) 0.199 8.517 ( -0.084 0.157 0.135) 0.223 8.539 ( 0.320 -0.362 -0.278) 0.558 8.766 ( 0.247 0.931 0.230) 0.990 8.795 ( -0.453 0.230 -0.598) 0.784 9.095 ( -0.671 0.420 0.117) 0.800 9.104 ( 0.186 0.039 0.419) 0.460 9.146 ( 0.245 0.171 0.825) 0.877 9.173 ( 1.743 -0.664 1.530) 2.412 9.371 ( -0.326 0.133 0.191) 0.401 9.389 ( -1.462 1.164 -0.900) 2.074 9.415 ( 1.218 1.709 0.435) 2.143 9.428 ( -0.187 0.432 0.067) 0.476 9.506 ( 0.569 1.267 0.583) 1.507 9.552 ( -0.204 0.940 -1.674) 1.931 9.644 ( -0.330 -1.968 0.903) 2.190 9.651 ( 0.518 -0.236 0.741) 0.935 9.668 ( 0.682 0.041 -0.763) 1.024 9.750 ( -0.960 -4.555 0.186) 4.659 9.858 ( 0.594 -1.917 0.003) 2.007 9.917 ( -1.088 -2.000 -1.638) 2.805======================= Grid point 44 (22/40) =======================q-point: ( 0.25 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( -0.882 6.133 8.022) 10.136 0.886 ( 4.218 14.112 4.028) 15.270 1.070 ( -2.785 4.572 -5.419) 7.617 1.199 ( -1.898 -0.706 6.039) 6.370 1.206 ( -5.525 5.811 -1.416) 8.142 1.278 ( -3.098 6.256 -0.563) 7.004 1.335 ( -1.843 1.572 -5.459) 5.972 1.364 ( -0.663 3.376 -4.326) 5.527 1.433 ( 0.377 -0.174 -2.487) 2.521 1.492 ( 1.569 0.053 -0.394) 1.618 1.508 ( 3.552 3.139 4.128) 6.286 1.541 ( 0.121 2.338 -1.294) 2.675 1.601 ( 0.032 -3.195 1.023) 3.355 1.661 ( 0.347 2.536 -1.347) 2.893 1.705 ( -2.637 -6.923 -1.684) 7.597 1.819 ( -3.614 -2.555 -0.905) 4.517 1.889 ( 2.727 1.387 -0.168) 3.064 1.931 ( 1.883 0.452 -0.459) 1.990 1.950 ( -0.724 -0.134 3.558) 3.633 1.980 ( 1.036 0.066 2.112) 2.353 2.057 ( 0.209 -0.801 0.823) 1.167 2.078 ( 1.468 1.958 -1.916) 3.108 2.137 ( 1.247 2.927 -0.660) 3.249 2.163 ( -0.559 1.875 -0.790) 2.110 2.193 ( 0.488 1.255 -0.218) 1.364 2.218 ( 0.401 1.969 -1.460) 2.484 2.276 ( -0.905 0.254 -2.455) 2.628 2.344 ( -2.416 1.448 1.462) 3.174 2.374 ( -1.789 1.836 -2.112) 3.322 2.427 ( -2.003 -0.520 0.378) 2.103 2.467 ( -3.052 -4.656 0.091) 5.568 2.501 ( 3.095 1.736 0.921) 3.666 2.556 ( -0.692 0.589 1.249) 1.545 2.657 ( -0.445 -0.190 -2.738) 2.781 2.754 ( 0.816 -1.235 4.038) 4.301 2.769 ( -1.900 1.717 0.568) 2.623 2.891 ( 2.277 -2.275 -1.356) 3.493 2.904 ( 0.012 -1.057 1.574) 1.896 2.930 ( -0.489 1.788 1.614) 2.458 2.994 ( 1.424 -1.964 -0.268) 2.441 3.059 ( 2.523 -1.826 -1.454) 3.437 3.075 ( 2.899 -2.982 0.826) 4.240 3.155 ( 2.877 -0.204 1.042) 3.067 3.164 ( 0.234 -0.789 3.737) 3.827 3.170 ( -4.904 -0.311 0.412) 4.931 3.271 ( 0.940 -1.468 -0.098) 1.746 3.325 ( -0.562 -2.017 -2.805) 3.500 3.388 ( -1.758 -6.423 0.944) 6.726 3.423 ( -0.419 -2.075 -1.149) 2.408 3.496 ( 1.565 -0.976 -2.185) 2.859 3.549 ( 0.429 2.915 -1.443) 3.280 3.614 ( 1.582 0.386 1.699) 2.354 3.682 ( -0.094 1.690 3.342) 3.746 3.707 ( -2.930 -0.094 3.004) 4.198 3.783 ( -1.843 0.826 -1.179) 2.338 3.854 ( 0.812 0.652 -3.441) 3.595 3.878 ( -2.920 -1.507 -1.394) 3.569 3.927 ( 0.552 -1.502 0.636) 1.722 3.988 ( 2.295 0.366 2.169) 3.179 4.034 ( -0.556 -1.481 0.152) 1.589 4.102 ( -1.151 -0.333 -0.716) 1.396 4.190 ( 2.577 -3.486 -1.743) 4.672 4.284 ( 0.268 0.565 -0.624) 0.884 4.294 ( 0.565 -0.031 -0.034) 0.567 4.298 ( 0.522 1.178 0.881) 1.561 4.339 ( -1.271 0.119 0.909) 1.567 4.382 ( 2.183 1.139 -0.323) 2.483 4.404 ( 0.964 1.367 -1.106) 2.005 4.480 ( 0.176 -0.236 0.762) 0.817 4.500 ( 0.986 -1.152 0.248) 1.536 4.527 ( -0.470 1.876 0.385) 1.972 4.564 ( 0.157 -0.234 0.077) 0.292 4.590 ( -0.929 1.111 0.426) 1.510 4.665 ( 0.188 -0.039 -1.374) 1.388 4.753 ( -0.398 -0.714 0.582) 1.003 4.782 ( -0.222 -1.962 -0.699) 2.094 4.967 ( 0.681 2.628 0.020) 2.714 4.987 ( 0.596 1.815 -0.794) 2.069 5.138 ( 0.243 0.872 1.819) 2.032 5.175 ( 0.408 0.905 0.183) 1.009 5.186 ( -0.536 -0.059 0.867) 1.021 5.209 ( -1.252 0.396 -0.400) 1.373 5.226 ( -0.837 -0.556 -2.089) 2.318 5.283 ( -0.341 -0.956 -1.024) 1.442 5.318 ( -0.191 -0.979 1.135) 1.511 5.351 ( -0.170 1.392 1.179) 1.832 5.395 ( 1.519 -2.264 -0.208) 2.734 5.419 ( -0.788 -0.316 -1.412) 1.648 5.524 ( 0.499 -0.472 0.252) 0.732 5.550 ( 0.091 -0.791 0.405) 0.893 5.657 ( -1.231 1.452 -0.009) 1.903 5.705 ( 1.620 0.696 1.023) 2.039 5.732 ( -1.403 -0.926 -1.298) 2.124 5.736 ( 0.636 -0.146 0.760) 1.002 5.944 ( 0.119 -1.386 0.311) 1.425 5.961 ( 0.147 -1.896 -0.589) 1.991 8.248 ( -0.226 0.381 -0.017) 0.443 8.264 ( -0.194 -0.234 -0.456) 0.548 8.502 ( 0.229 0.522 0.056) 0.573 8.515 ( 0.174 0.320 0.051) 0.368 8.526 ( 0.614 0.060 0.031) 0.617 8.542 ( 0.159 -0.368 -0.314) 0.509 8.769 ( -0.136 1.148 0.579) 1.293 8.790 ( 0.280 0.603 -0.638) 0.922 9.087 ( -0.264 0.599 0.314) 0.725 9.113 ( 0.458 -0.237 0.341) 0.619 9.148 ( -0.273 0.656 0.153) 0.727 9.194 ( -0.982 -0.004 0.259) 1.015 9.356 ( -0.292 0.474 0.387) 0.677 9.386 ( 1.182 0.344 0.463) 1.315 9.414 ( -0.024 -0.705 -0.384) 0.803 9.473 ( 1.613 -0.075 0.263) 1.636 9.511 ( 0.059 0.495 0.405) 0.642 9.546 ( 0.964 0.831 -1.461) 1.938 9.624 ( -1.938 -1.560 0.704) 2.586 9.643 ( -1.310 0.243 -0.949) 1.636 9.672 ( 0.135 -0.359 0.029) 0.384 9.741 ( -0.110 -2.114 1.317) 2.493 9.867 ( -0.613 -2.659 -1.799) 3.268 9.891 ( 0.644 -1.908 0.380) 2.050======================= Grid point 45 (23/40) =======================q-point: (-0.50 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.809 ( -5.779 -0.124 4.520) 7.338 0.911 ( -5.825 5.329 -3.754) 8.743 1.027 ( 1.798 9.280 4.112) 10.308 1.136 ( 4.264 3.630 -2.466) 6.119 1.179 ( 0.823 7.299 4.435) 8.580 1.262 ( 1.075 1.234 -2.395) 2.900 1.313 ( 0.011 2.279 -1.293) 2.620 1.343 ( 2.941 0.042 -4.871) 5.690 1.401 ( -0.921 1.847 -2.177) 3.000 1.473 ( 0.583 1.558 -3.647) 4.009 1.482 ( -2.591 0.806 -1.629) 3.165 1.587 ( -1.099 0.223 -5.175) 5.295 1.628 ( -1.717 2.421 4.579) 5.457 1.683 ( 0.783 -4.809 3.022) 5.733 1.714 ( 2.471 0.777 1.527) 3.007 1.753 ( 0.720 2.929 1.480) 3.360 1.894 ( -2.457 -2.092 -0.665) 3.295 1.935 ( -1.683 -2.075 0.658) 2.751 1.960 ( 1.745 1.539 1.513) 2.776 2.031 ( -0.189 -1.210 1.276) 1.769 2.070 ( -1.012 1.827 0.350) 2.118 2.088 ( 1.412 3.292 1.370) 3.835 2.132 ( 1.000 2.622 -2.223) 3.580 2.187 ( 0.847 1.843 -0.703) 2.146 2.199 ( 1.836 0.449 -2.103) 2.828 2.223 ( 1.204 2.286 -1.821) 3.161 2.253 ( -0.772 1.330 -0.466) 1.607 2.325 ( 1.080 0.937 -1.971) 2.435 2.342 ( -1.001 1.920 1.937) 2.905 2.404 ( 0.302 -1.848 0.774) 2.026 2.429 ( -0.852 -3.426 0.501) 3.566 2.515 ( -1.210 -1.349 -1.667) 2.462 2.585 ( 0.996 2.040 2.915) 3.695 2.645 ( 0.862 -0.664 0.184) 1.103 2.740 ( -1.204 0.993 0.239) 1.579 2.800 ( 1.199 -1.581 1.688) 2.605 2.909 ( 0.064 -2.036 2.246) 3.032 2.915 ( -0.436 0.091 -1.427) 1.495 2.965 ( 2.020 -1.921 2.827) 3.970 3.011 ( -0.771 -3.160 -0.370) 3.273 3.053 ( -1.665 -0.004 0.227) 1.681 3.084 ( -0.101 0.270 -2.485) 2.502 3.148 ( 1.361 -0.630 1.120) 1.871 3.167 ( -2.899 -1.226 0.039) 3.147 3.193 ( 0.363 -2.371 2.260) 3.296 3.245 ( -1.255 -1.837 2.013) 3.000 3.344 ( -0.890 -3.498 -0.412) 3.633 3.373 ( 3.112 -5.263 -0.746) 6.159 3.433 ( -0.119 -1.459 -1.651) 2.207 3.475 ( -0.071 -0.004 -2.883) 2.884 3.583 ( 2.514 2.126 0.589) 3.345 3.599 ( -2.208 -0.100 1.762) 2.827 3.641 ( -2.855 1.874 -1.026) 3.566 3.691 ( -2.278 4.600 -1.004) 5.231 3.743 ( 0.358 1.824 1.343) 2.293 3.834 ( -0.061 2.098 -2.584) 3.329 3.918 ( 4.332 -3.503 2.437) 6.081 3.966 ( 1.256 -2.061 1.419) 2.800 3.982 ( -2.219 -1.913 0.068) 2.930 4.045 ( -0.525 0.142 0.958) 1.102 4.091 ( 1.144 -0.033 -0.257) 1.173 4.190 ( 0.124 -3.892 -2.513) 4.634 4.286 ( -0.415 0.130 -0.617) 0.755 4.295 ( 0.294 -0.042 -0.314) 0.432 4.307 ( -0.058 1.229 0.860) 1.501 4.331 ( -0.212 0.245 0.852) 0.911 4.410 ( 0.142 1.238 -0.616) 1.390 4.419 ( 0.844 1.406 -0.815) 1.831 4.482 ( -0.385 0.003 0.800) 0.887 4.494 ( -0.818 -0.379 0.749) 1.173 4.549 ( -0.074 -2.023 -0.905) 2.217 4.555 ( -0.638 -0.201 -0.568) 0.877 4.576 ( -0.459 1.996 0.874) 2.227 4.664 ( 0.735 0.013 -1.294) 1.488 4.755 ( 0.274 -0.445 0.665) 0.845 4.784 ( 0.713 -1.689 -0.398) 1.876 4.983 ( -0.392 2.864 -0.093) 2.892 4.993 ( 1.359 2.803 -0.077) 3.116 5.126 ( -2.149 -0.136 0.315) 2.177 5.160 ( 0.071 -0.401 -0.822) 0.917 5.185 ( -1.234 0.537 0.282) 1.375 5.203 ( 1.457 -0.650 -0.513) 1.676 5.212 ( 0.236 -0.126 0.912) 0.950 5.288 ( 0.977 0.109 -1.080) 1.460 5.320 ( -0.552 -0.071 1.382) 1.490 5.366 ( -0.128 0.715 1.287) 1.477 5.403 ( 0.803 -0.111 -0.740) 1.097 5.420 ( 0.756 -1.499 0.208) 1.692 5.536 ( 0.214 -0.698 -0.098) 0.737 5.545 ( -0.563 -0.995 0.250) 1.171 5.644 ( 0.066 1.033 0.198) 1.054 5.691 ( -1.428 -0.433 -1.628) 2.208 5.736 ( 0.344 0.185 0.712) 0.812 5.746 ( 0.334 0.154 0.490) 0.613 5.943 ( -0.250 -1.270 0.099) 1.299 5.961 ( 0.137 -1.840 -0.555) 1.927 8.245 ( -0.013 0.339 -0.039) 0.342 8.258 ( 0.014 -0.318 -0.468) 0.566 8.506 ( 0.029 0.598 0.058) 0.601 8.520 ( 0.194 0.440 0.090) 0.489 8.531 ( -0.160 0.171 0.029) 0.236 8.543 ( 0.082 0.000 -0.355) 0.364 8.768 ( -0.429 1.362 0.627) 1.560 8.797 ( 0.754 0.766 -0.371) 1.137 9.088 ( 0.143 0.608 0.646) 0.898 9.124 ( 0.309 -0.068 0.225) 0.388 9.138 ( -0.534 0.244 -0.422) 0.723 9.155 ( -1.882 0.597 -0.790) 2.127 9.363 ( 0.249 0.234 1.021) 1.077 9.405 ( -0.075 -0.199 -0.546) 0.586 9.430 ( 1.346 -0.418 0.742) 1.592 9.447 ( -2.091 -0.615 -0.102) 2.182 9.545 ( 0.948 -0.886 -0.066) 1.299 9.561 ( -0.284 -2.742 0.061) 2.757 9.589 ( 0.192 0.597 0.322) 0.704 9.616 ( -0.287 0.712 -2.014) 2.155 9.673 ( -0.307 -1.235 0.663) 1.435 9.749 ( 0.157 -1.337 0.351) 1.391 9.851 ( 0.173 -1.161 -0.092) 1.177 9.915 ( 1.080 -1.368 -0.182) 1.752======================= Grid point 46 (24/40) =======================q-point: (-0.25 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( -2.561 7.245 5.683) 9.557 0.779 ( -5.465 11.528 3.754) 13.299 1.110 ( 2.390 2.366 1.382) 3.636 1.217 ( -0.881 3.673 3.956) 5.469 1.272 ( 2.422 -0.093 -3.683) 4.409 1.281 ( 5.178 4.405 -1.098) 6.887 1.317 ( 3.509 4.334 -1.267) 5.718 1.365 ( 1.976 4.957 -5.478) 7.648 1.413 ( 2.016 0.824 -1.352) 2.563 1.468 ( 2.771 0.126 1.705) 3.256 1.484 ( -1.488 2.903 -0.710) 3.338 1.525 ( 0.783 2.392 -5.441) 5.995 1.625 ( 1.720 9.809 3.550) 10.572 1.703 ( 0.221 -3.167 2.027) 3.767 1.748 ( 1.370 -1.617 0.348) 2.147 1.816 ( 2.144 -1.877 -1.793) 3.367 1.821 ( -5.908 2.032 -5.718) 8.470 1.879 ( -2.756 -3.945 2.241) 5.308 1.960 ( 0.898 -3.425 1.508) 3.849 2.006 ( -2.810 -0.023 -0.277) 2.823 2.060 ( -0.043 3.168 0.622) 3.228 2.112 ( -1.280 1.853 1.000) 2.464 2.127 ( -0.360 2.623 0.912) 2.800 2.190 ( 0.221 0.636 -1.780) 1.903 2.215 ( 0.560 -1.660 -0.777) 1.916 2.244 ( 0.982 0.290 -1.405) 1.738 2.263 ( 2.074 2.356 0.885) 3.261 2.334 ( 2.229 -0.849 -2.925) 3.774 2.379 ( 0.289 2.428 2.493) 3.492 2.428 ( 1.675 -0.810 -0.308) 1.885 2.460 ( 2.885 -1.213 0.319) 3.146 2.481 ( 0.363 -2.966 -1.273) 3.248 2.580 ( -2.005 0.253 1.143) 2.322 2.672 ( -0.594 -2.167 2.417) 3.300 2.721 ( -0.485 2.286 -0.724) 2.446 2.821 ( 1.412 -1.396 -0.726) 2.114 2.871 ( -2.140 -1.363 0.953) 2.710 2.912 ( -2.060 -2.509 -0.532) 3.290 2.974 ( -2.032 -1.413 1.808) 3.065 2.999 ( -1.114 -3.965 2.270) 4.703 3.055 ( -0.908 0.185 -2.960) 3.102 3.075 ( 1.865 0.747 2.013) 2.843 3.099 ( -1.565 1.252 -0.253) 2.020 3.200 ( 2.802 -0.635 0.482) 2.914 3.208 ( -2.133 -1.654 0.651) 2.776 3.232 ( 0.776 -1.315 0.731) 1.693 3.302 ( -2.339 -1.393 0.127) 2.725 3.405 ( -0.070 -4.465 -1.755) 4.798 3.438 ( 2.331 -3.792 0.735) 4.511 3.460 ( -0.874 0.213 -0.090) 0.905 3.569 ( -1.991 2.558 0.832) 3.347 3.592 ( -0.590 -2.064 -2.504) 3.298 3.646 ( 3.355 1.749 3.426) 5.104 3.684 ( 0.773 2.788 1.050) 3.078 3.766 ( 0.946 1.527 0.783) 1.960 3.839 ( 2.439 1.447 -1.890) 3.408 3.914 ( -3.006 -0.568 -1.227) 3.297 3.993 ( -1.103 -2.822 0.427) 3.059 4.005 ( -0.776 -2.165 1.679) 2.848 4.018 ( -0.425 -3.181 0.695) 3.283 4.084 ( -0.351 -0.130 -1.274) 1.328 4.178 ( 0.049 -3.841 -2.982) 4.863 4.272 ( -0.359 0.535 -0.430) 0.775 4.287 ( -0.649 0.200 0.055) 0.681 4.317 ( -0.138 1.896 1.005) 2.150 4.332 ( 0.137 1.107 0.369) 1.175 4.386 ( -0.833 0.549 -0.517) 1.123 4.414 ( -0.733 1.517 -0.846) 1.885 4.472 ( -1.310 -0.685 0.542) 1.575 4.491 ( -0.096 -0.211 1.695) 1.711 4.537 ( -0.083 0.226 -0.216) 0.324 4.558 ( 1.168 0.928 -0.182) 1.503 4.589 ( 1.237 1.722 0.479) 2.174 4.673 ( 0.632 -0.235 -1.308) 1.471 4.756 ( -0.331 -0.287 0.077) 0.444 4.797 ( 0.740 -1.377 -0.691) 1.709 4.964 ( -0.916 3.375 -0.196) 3.502 5.006 ( -0.594 1.001 -0.684) 1.350 5.087 ( -0.736 1.137 0.734) 1.540 5.172 ( -0.408 0.526 0.662) 0.939 5.179 ( 0.878 0.140 0.347) 0.954 5.221 ( 0.200 0.907 0.262) 0.965 5.247 ( 3.092 -2.257 -1.179) 4.005 5.299 ( 0.448 -1.051 -0.182) 1.157 5.315 ( -1.095 0.097 1.606) 1.946 5.344 ( -0.713 0.879 -1.034) 1.533 5.424 ( -0.567 -1.975 -0.416) 2.096 5.434 ( 1.212 -0.828 -0.322) 1.503 5.524 ( -0.590 -0.284 0.685) 0.947 5.541 ( -0.405 -0.583 -0.091) 0.716 5.652 ( 0.137 0.856 -0.033) 0.867 5.673 ( 0.560 0.457 0.122) 0.733 5.725 ( -1.042 0.727 0.149) 1.279 5.761 ( 0.438 -0.330 0.090) 0.556 5.940 ( -0.186 -1.520 0.190) 1.543 5.958 ( -0.047 -1.697 -0.379) 1.739 8.248 ( 0.336 0.500 -0.120) 0.614 8.259 ( 0.321 -0.182 -0.270) 0.457 8.505 ( -0.086 0.558 0.172) 0.590 8.517 ( -0.542 0.271 0.198) 0.637 8.527 ( -0.347 0.103 -0.077) 0.370 8.537 ( -0.168 -0.247 -0.453) 0.543 8.763 ( -0.216 1.153 0.236) 1.197 8.805 ( 0.046 0.365 -0.358) 0.513 9.098 ( 0.155 0.373 0.847) 0.938 9.112 ( -1.051 0.412 -0.091) 1.132 9.132 ( 0.333 0.318 -0.293) 0.546 9.142 ( 0.486 -0.517 0.810) 1.077 9.378 ( 0.444 0.486 0.977) 1.178 9.386 ( -0.871 0.653 -0.264) 1.120 9.417 ( -0.387 -0.382 -0.766) 0.940 9.455 ( -0.455 0.827 0.775) 1.221 9.505 ( -1.889 0.266 0.202) 1.918 9.566 ( -0.020 -0.149 -1.296) 1.305 9.618 ( 1.121 -0.503 1.117) 1.660 9.628 ( 2.349 -0.740 -1.038) 2.672 9.665 ( -0.550 -1.691 0.337) 1.810 9.756 ( 0.341 -3.541 -0.095) 3.558 9.857 ( -0.099 -0.589 0.261) 0.652 9.929 ( 0.616 -1.275 -0.982) 1.724======================= Grid point 47 (25/40) =======================q-point: ( 0.00 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( -0.967 9.401 2.298) 9.726 1.037 ( 7.127 6.322 3.190) 10.047 1.208 ( -1.725 0.095 0.030) 1.728 1.240 ( 2.026 4.808 1.580) 5.452 1.309 ( -1.318 0.720 2.489) 2.907 1.326 ( 2.211 -2.866 -1.805) 4.045 1.387 ( -1.371 2.198 0.662) 2.674 1.401 ( 0.358 0.566 0.181) 0.694 1.434 ( 1.139 -2.376 -0.567) 2.695 1.502 ( -1.614 0.449 -2.139) 2.717 1.550 ( -3.257 -1.597 1.513) 3.930 1.569 ( -0.137 1.534 -4.046) 4.329 1.603 ( 1.721 3.909 -5.209) 6.736 1.665 ( -3.325 -0.597 -6.072) 6.948 1.702 ( 1.309 -3.906 -4.613) 6.185 1.738 ( 2.708 -6.142 -4.128) 7.880 1.839 ( 3.136 0.398 1.018) 3.321 1.874 ( 1.286 -2.776 0.996) 3.217 1.969 ( -4.615 7.313 0.087) 8.648 2.041 ( -4.710 -2.278 -2.904) 5.983 2.053 ( 2.241 5.840 3.068) 6.967 2.133 ( -0.297 1.322 0.363) 1.402 2.163 ( -2.263 -0.376 2.864) 3.670 2.175 ( 0.299 -1.430 0.616) 1.585 2.230 ( 0.060 3.292 0.956) 3.428 2.262 ( 0.137 2.990 1.360) 3.287 2.287 ( -0.989 -0.009 3.180) 3.330 2.362 ( 2.119 -2.557 2.554) 4.189 2.406 ( 1.989 -0.023 0.846) 2.161 2.415 ( -0.213 -0.768 0.859) 1.172 2.480 ( 0.576 0.451 -0.593) 0.942 2.495 ( 1.095 -0.992 -0.645) 1.612 2.572 ( -1.473 2.544 0.500) 2.982 2.626 ( -0.551 -3.155 2.015) 3.784 2.743 ( -0.089 2.566 -1.900) 3.194 2.801 ( -0.750 -2.743 -0.531) 2.893 2.857 ( 0.740 0.875 1.670) 2.026 2.882 ( 3.073 -1.124 1.460) 3.584 2.932 ( 1.370 -1.442 -0.585) 2.073 2.937 ( -0.202 -2.012 -0.816) 2.181 3.016 ( -2.395 2.354 -0.471) 3.391 3.043 ( -1.757 0.071 -2.592) 3.133 3.115 ( -2.381 0.928 1.126) 2.793 3.163 ( -1.623 1.124 0.938) 2.186 3.191 ( -1.769 -3.424 2.004) 4.344 3.250 ( -0.643 -6.824 1.864) 7.103 3.300 ( 1.601 1.415 1.045) 2.378 3.305 ( 4.170 0.931 -2.278) 4.842 3.413 ( 0.832 -0.821 -1.399) 1.823 3.438 ( 0.099 -2.665 -1.917) 3.285 3.573 ( 1.433 1.292 0.375) 1.965 3.589 ( 0.935 0.336 0.235) 1.021 3.693 ( -1.252 0.946 0.472) 1.639 3.703 ( -0.712 -0.274 0.904) 1.183 3.820 ( -4.027 1.283 -1.316) 4.426 3.871 ( -1.837 -2.609 -3.097) 4.447 3.889 ( 0.286 0.778 2.011) 2.175 3.919 ( 2.707 -1.094 1.286) 3.190 3.950 ( 0.799 0.391 0.046) 0.891 3.972 ( 0.768 -1.296 -0.397) 1.558 4.108 ( 1.007 0.426 0.526) 1.213 4.122 ( 0.367 -1.207 -0.195) 1.276 4.283 ( 0.521 0.314 -0.016) 0.608 4.285 ( 0.212 0.065 0.089) 0.239 4.337 ( -1.429 1.166 0.238) 1.860 4.357 ( -1.109 -0.719 0.727) 1.509 4.393 ( 0.667 2.112 -0.602) 2.296 4.418 ( 0.650 0.148 -0.655) 0.935 4.463 ( 0.085 0.774 0.581) 0.972 4.481 ( -0.459 -0.870 0.891) 1.327 4.560 ( 0.631 0.546 0.120) 0.843 4.572 ( -0.117 -0.410 -0.299) 0.521 4.629 ( -0.116 1.306 -0.597) 1.441 4.654 ( 0.072 -1.108 -1.177) 1.618 4.748 ( -0.338 0.221 -0.183) 0.443 4.764 ( -0.570 -1.411 -0.731) 1.688 4.994 ( 0.152 0.904 -0.407) 1.003 4.997 ( -0.326 0.463 -0.505) 0.758 5.151 ( 0.951 2.425 1.784) 3.157 5.176 ( 0.040 -0.182 0.894) 0.913 5.198 ( 0.111 0.632 0.046) 0.643 5.229 ( 0.303 -2.507 -0.295) 2.542 5.244 ( -0.217 1.031 -0.218) 1.076 5.267 ( -0.393 -1.459 0.059) 1.512 5.306 ( -0.718 1.194 0.341) 1.434 5.338 ( -0.600 -1.904 -0.683) 2.110 5.386 ( -0.011 1.618 -0.485) 1.690 5.417 ( 0.202 -1.414 -0.861) 1.667 5.524 ( -0.293 0.406 -0.026) 0.501 5.532 ( 0.164 -0.423 -0.254) 0.520 5.688 ( 1.128 0.870 0.956) 1.716 5.697 ( 0.786 0.029 0.942) 1.228 5.723 ( -0.882 0.906 -0.068) 1.266 5.743 ( -0.928 -0.993 -0.332) 1.399 5.918 ( 0.053 -0.423 0.127) 0.445 5.927 ( 0.091 -1.287 -0.105) 1.295 8.259 ( 0.092 0.354 -0.340) 0.499 8.264 ( 0.205 -0.146 -0.370) 0.448 8.507 ( -0.241 0.135 0.029) 0.278 8.509 ( -0.029 -0.117 -0.082) 0.145 8.523 ( -0.033 0.398 0.226) 0.459 8.531 ( 0.082 -0.451 0.105) 0.470 8.784 ( -0.160 0.909 0.826) 1.239 8.796 ( -0.531 -0.265 0.653) 0.882 9.100 ( -0.262 0.226 -0.265) 0.436 9.104 ( -0.089 -0.119 -0.120) 0.191 9.149 ( 0.773 0.247 0.747) 1.103 9.158 ( 1.316 -0.711 0.873) 1.732 9.376 ( -0.394 0.462 -0.219) 0.646 9.388 ( -0.257 -0.656 -0.856) 1.109 9.447 ( -1.105 1.215 -0.128) 1.647 9.449 ( 1.297 0.994 -0.272) 1.656 9.533 ( 0.322 1.515 -0.054) 1.550 9.557 ( 0.211 -0.633 -1.220) 1.391 9.618 ( -0.735 -0.154 0.422) 0.861 9.638 ( -0.596 -1.279 0.327) 1.449 9.664 ( 2.512 -0.265 0.457) 2.567 9.678 ( 0.748 -2.278 0.747) 2.512 9.849 ( -1.129 0.862 -0.199) 1.434 9.878 ( -1.452 -1.905 -1.132) 2.649======================= Grid point 48 (26/40) =======================q-point: ( 0.25 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( -5.094 6.020 2.733) 8.346 1.035 ( -6.624 -4.886 -1.886) 8.445 1.187 ( 0.796 13.475 2.963) 13.820 1.270 ( 1.518 6.246 1.581) 6.620 1.301 ( 1.046 3.717 -3.311) 5.086 1.344 ( -4.473 0.627 -1.820) 4.870 1.368 ( -0.840 0.799 -2.376) 2.644 1.399 ( -1.952 1.823 1.462) 3.045 1.417 ( -0.806 -3.529 -5.857) 6.885 1.478 ( 1.256 -2.495 2.034) 3.456 1.486 ( -2.004 -5.980 -1.828) 6.566 1.543 ( 0.527 -1.369 -0.600) 1.585 1.571 ( -1.314 -1.226 -2.651) 3.203 1.593 ( 2.291 0.406 -1.236) 2.634 1.735 ( -0.318 2.659 -0.906) 2.827 1.782 ( 3.429 -1.688 0.231) 3.829 1.840 ( -3.785 -0.406 -1.224) 3.999 1.900 ( -0.965 -3.765 -1.402) 4.131 1.951 ( 3.690 0.427 1.959) 4.200 1.981 ( 2.707 -2.129 -1.348) 3.698 2.101 ( 0.050 4.784 2.007) 5.188 2.135 ( 0.889 2.570 1.173) 2.961 2.165 ( 0.650 0.403 2.704) 2.810 2.191 ( 0.348 -0.696 -0.465) 0.906 2.231 ( -0.197 2.090 0.790) 2.243 2.261 ( -0.150 -0.262 -0.204) 0.365 2.285 ( -1.382 3.192 0.123) 3.480 2.350 ( -2.954 -2.501 -0.029) 3.870 2.407 ( -2.545 1.686 2.436) 3.906 2.425 ( -0.641 1.789 -0.268) 1.920 2.452 ( -1.589 2.494 -0.354) 2.978 2.496 ( -0.774 -2.261 1.572) 2.860 2.589 ( 1.694 1.691 2.046) 3.149 2.625 ( 0.126 -2.627 1.370) 2.965 2.749 ( 0.305 1.745 -0.269) 1.792 2.805 ( 1.704 -1.539 -2.387) 3.312 2.836 ( -2.437 0.467 -1.596) 2.950 2.879 ( -0.869 -2.023 -0.489) 2.255 2.957 ( 1.658 -0.120 -0.141) 1.668 2.980 ( 2.813 -1.180 0.007) 3.051 3.028 ( 1.405 2.574 2.146) 3.633 3.071 ( 4.025 0.663 0.294) 4.089 3.129 ( 2.845 -1.520 1.647) 3.622 3.138 ( -1.745 -1.311 1.444) 2.618 3.183 ( -0.352 0.460 1.296) 1.419 3.233 ( -1.234 -5.403 0.186) 5.545 3.271 ( -3.447 0.743 0.578) 3.574 3.303 ( -4.082 -2.294 0.378) 4.697 3.409 ( 1.904 1.000 -3.173) 3.833 3.452 ( 1.659 -2.977 -3.267) 4.721 3.594 ( 0.839 1.600 -1.340) 2.249 3.613 ( 0.336 -0.427 -0.758) 0.933 3.707 ( 0.250 1.592 1.642) 2.301 3.726 ( 1.616 1.304 3.160) 3.781 3.767 ( -0.165 -1.950 0.005) 1.957 3.798 ( -2.105 -3.515 -0.114) 4.098 3.908 ( 0.354 2.313 -0.894) 2.505 3.931 ( -0.231 0.703 -0.474) 0.879 3.986 ( 1.949 0.286 0.355) 2.002 4.012 ( 1.659 -1.447 0.041) 2.202 4.102 ( -1.487 0.435 -0.733) 1.714 4.127 ( 0.134 -2.416 -0.830) 2.558 4.290 ( 0.246 0.178 -0.351) 0.464 4.292 ( 0.190 -0.068 -0.285) 0.349 4.319 ( -0.350 0.817 0.985) 1.327 4.332 ( -0.914 -0.579 0.840) 1.370 4.422 ( 1.839 2.253 -0.036) 2.908 4.435 ( 1.039 1.199 -0.871) 1.810 4.474 ( 0.257 -0.421 0.713) 0.867 4.479 ( 0.252 -0.934 0.466) 1.073 4.545 ( -1.732 0.220 -0.189) 1.756 4.553 ( -1.310 -0.770 -0.038) 1.520 4.623 ( 0.072 2.016 -0.252) 2.033 4.655 ( 0.498 -1.100 -0.972) 1.550 4.743 ( -0.176 -0.175 0.331) 0.414 4.751 ( -0.217 -1.084 -0.162) 1.118 5.003 ( 1.072 1.241 -0.326) 1.672 5.013 ( 1.589 0.373 -0.280) 1.656 5.162 ( -1.176 1.458 0.810) 2.041 5.182 ( -0.065 -0.383 0.686) 0.789 5.188 ( -0.915 0.419 -0.127) 1.015 5.201 ( -1.717 -0.973 -0.651) 2.078 5.237 ( -0.365 1.536 0.382) 1.624 5.265 ( 0.244 -1.272 -0.008) 1.296 5.316 ( 0.990 0.996 0.830) 1.632 5.350 ( 1.691 -2.272 0.216) 2.840 5.383 ( -0.036 1.612 -0.364) 1.653 5.408 ( -0.428 -0.899 -1.066) 1.459 5.522 ( 0.175 0.338 0.036) 0.382 5.534 ( 0.105 -0.801 -0.102) 0.814 5.686 ( -1.306 1.491 -0.395) 2.021 5.712 ( -1.054 -1.057 -0.605) 1.611 5.720 ( 0.643 0.637 0.910) 1.283 5.731 ( 0.740 -0.426 1.063) 1.364 5.923 ( 0.235 -0.554 0.125) 0.615 5.929 ( 0.175 -1.217 -0.242) 1.253 8.255 ( -0.253 0.297 -0.304) 0.494 8.259 ( -0.299 -0.219 -0.422) 0.561 8.513 ( 0.505 0.578 0.204) 0.794 8.522 ( 0.699 0.033 0.102) 0.707 8.524 ( 0.213 0.052 0.057) 0.227 8.533 ( 0.247 -0.533 -0.091) 0.595 8.790 ( 0.023 0.863 1.088) 1.388 8.797 ( 0.172 0.081 0.673) 0.699 9.097 ( 0.008 0.494 0.004) 0.494 9.106 ( 0.323 -0.472 -0.086) 0.578 9.162 ( 0.092 0.754 -0.170) 0.778 9.180 ( 0.151 -1.088 -0.279) 1.133 9.368 ( -0.218 0.728 0.009) 0.760 9.384 ( 0.531 -0.829 -0.260) 1.019 9.421 ( -1.074 1.650 -0.006) 1.969 9.456 ( -0.703 -1.591 -0.282) 1.762 9.525 ( -0.643 0.989 0.045) 1.181 9.546 ( -0.578 -0.908 -0.759) 1.317 9.606 ( -0.538 0.109 0.244) 0.601 9.623 ( -0.368 -1.324 -0.433) 1.441 9.691 ( 0.229 1.343 -1.169) 1.795 9.714 ( 1.258 -1.078 0.055) 1.658 9.839 ( -0.165 -0.100 0.516) 0.551 9.856 ( 0.421 -1.606 0.944) 1.910======================= Grid point 49 (27/40) =======================q-point: (-0.50 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.833 ( -3.290 3.016 0.856) 4.545 0.912 ( -1.308 -4.062 -3.196) 5.332 1.185 ( -5.430 6.577 -3.279) 9.137 1.263 ( 0.508 0.598 -3.013) 3.113 1.271 ( 2.536 7.449 0.723) 7.902 1.311 ( -0.190 5.406 -0.848) 5.475 1.328 ( 1.047 1.916 -2.652) 3.436 1.383 ( 0.104 0.361 -1.329) 1.381 1.425 ( 3.101 0.305 1.112) 3.308 1.450 ( 0.000 -6.096 -1.788) 6.353 1.497 ( -0.275 0.348 -0.047) 0.446 1.552 ( 3.581 -2.213 -0.040) 4.209 1.606 ( 1.149 0.521 -1.230) 1.762 1.650 ( 2.202 -1.434 1.623) 3.089 1.736 ( -0.004 1.859 1.519) 2.401 1.792 ( 0.525 -3.483 0.978) 3.656 1.810 ( -0.409 0.361 -0.457) 0.711 1.864 ( -2.351 -3.288 -1.565) 4.334 2.017 ( 1.304 0.553 -1.170) 1.837 2.034 ( 2.164 0.023 0.280) 2.182 2.118 ( -0.541 3.678 3.115) 4.850 2.147 ( 1.230 2.952 0.148) 3.201 2.165 ( -1.667 0.662 1.663) 2.446 2.200 ( 0.127 -0.450 -0.663) 0.811 2.229 ( -0.151 1.871 0.455) 1.931 2.253 ( -2.513 -0.165 0.447) 2.558 2.280 ( 2.406 1.340 0.284) 2.769 2.316 ( 0.873 -2.829 0.015) 2.961 2.372 ( -3.811 1.926 -1.379) 4.487 2.380 ( -1.268 1.024 1.209) 2.029 2.436 ( 0.596 2.650 0.448) 2.753 2.486 ( -1.058 -1.812 0.867) 2.270 2.611 ( -1.546 0.020 1.471) 2.134 2.634 ( -0.015 -1.196 0.387) 1.257 2.748 ( 0.303 1.937 2.120) 2.888 2.815 ( 0.612 1.003 -2.176) 2.473 2.836 ( 1.174 -2.999 1.196) 3.435 2.883 ( 1.476 -3.536 -0.999) 3.960 2.953 ( -2.358 2.604 -1.373) 3.772 3.000 ( -1.185 -0.970 -1.805) 2.367 3.049 ( 0.314 0.743 1.672) 1.857 3.102 ( 0.861 -2.250 -0.312) 2.429 3.141 ( -0.953 2.065 -0.176) 2.281 3.154 ( 1.296 1.585 1.082) 2.316 3.197 ( -2.352 1.622 1.131) 3.073 3.215 ( -0.398 -1.620 3.934) 4.273 3.251 ( 0.016 -4.948 1.213) 5.095 3.259 ( 0.748 -4.482 0.671) 4.594 3.428 ( 1.626 0.001 -3.537) 3.893 3.447 ( 0.545 -2.107 -3.696) 4.289 3.606 ( 0.704 0.860 1.282) 1.696 3.610 ( 1.027 0.550 -0.034) 1.166 3.693 ( -2.318 3.598 -0.764) 4.347 3.751 ( -2.503 -0.444 -0.730) 2.645 3.775 ( 1.622 1.639 3.288) 4.016 3.813 ( 2.092 -2.850 1.237) 3.745 3.911 ( 0.988 1.708 -0.347) 2.003 3.929 ( 0.374 -0.365 -0.589) 0.787 3.972 ( -2.103 0.642 -1.760) 2.817 4.019 ( -1.518 -2.931 -1.507) 3.629 4.091 ( 1.277 0.174 0.181) 1.302 4.114 ( -0.306 -2.737 -1.361) 3.072 4.287 ( -0.245 0.168 -0.584) 0.655 4.292 ( 0.082 -0.290 -0.536) 0.615 4.328 ( 0.319 0.720 1.344) 1.558 4.334 ( 0.084 0.047 1.250) 1.253 4.444 ( -0.203 1.823 -0.153) 1.841 4.448 ( 0.572 1.264 -0.495) 1.473 4.481 ( -0.320 -0.013 0.958) 1.010 4.483 ( -0.348 -0.308 0.828) 0.950 4.522 ( 0.003 -0.982 -0.135) 0.991 4.530 ( -0.303 -1.723 -0.551) 1.835 4.625 ( 0.089 2.350 -0.055) 2.352 4.657 ( 0.416 -0.953 -0.926) 1.393 4.750 ( 0.526 0.005 0.666) 0.849 4.758 ( 0.754 -0.890 0.362) 1.222 5.023 ( 0.585 1.662 0.052) 1.763 5.036 ( 0.413 0.745 -0.199) 0.875 5.130 ( -1.650 0.648 -0.280) 1.794 5.147 ( -0.831 -0.890 -0.923) 1.528 5.184 ( -0.105 0.067 0.189) 0.226 5.190 ( 0.190 -0.469 -0.096) 0.515 5.237 ( -0.019 1.724 0.909) 1.949 5.269 ( 0.043 -1.543 0.080) 1.546 5.341 ( 0.312 1.785 0.805) 1.983 5.375 ( -0.238 -1.029 -0.136) 1.065 5.393 ( 1.067 -0.098 0.698) 1.279 5.401 ( 0.700 -0.324 -0.139) 0.784 5.526 ( 0.127 -0.183 -0.207) 0.304 5.530 ( -0.384 -0.560 -0.191) 0.705 5.666 ( -0.208 1.089 -0.553) 1.238 5.682 ( -0.698 -0.612 -1.159) 1.485 5.740 ( 0.244 0.300 1.161) 1.223 5.746 ( 0.073 -0.188 0.976) 0.997 5.925 ( -0.132 -0.485 0.031) 0.504 5.930 ( 0.074 -1.087 -0.203) 1.109 8.250 ( 0.110 0.201 -0.337) 0.408 8.253 ( 0.066 -0.172 -0.412) 0.451 8.517 ( -0.069 0.541 0.236) 0.594 8.525 ( -0.068 -0.274 0.074) 0.292 8.532 ( 0.064 0.436 0.208) 0.487 8.541 ( 0.136 -0.306 -0.181) 0.381 8.794 ( -0.446 1.178 1.214) 1.749 8.806 ( 0.047 0.006 0.946) 0.947 9.099 ( 0.175 0.625 0.246) 0.694 9.114 ( 0.397 -0.813 0.096) 0.910 9.148 ( -0.891 0.612 -1.266) 1.665 9.157 ( -1.218 -0.274 -1.609) 2.036 9.376 ( 0.638 1.138 0.798) 1.529 9.400 ( 0.047 -0.738 0.267) 0.786 9.415 ( 0.987 -0.461 -0.223) 1.112 9.427 ( -0.865 -1.183 -0.327) 1.501 9.525 ( -0.353 -0.595 0.060) 0.694 9.529 ( 0.326 -0.709 -0.281) 0.830 9.602 ( 0.232 0.798 -0.255) 0.869 9.617 ( 0.249 -0.599 -1.423) 1.564 9.674 ( -0.998 1.300 -0.535) 1.723 9.711 ( -0.530 -2.268 -1.713) 2.891 9.857 ( 0.656 1.315 2.166) 2.617 9.887 ( 0.979 -1.569 1.501) 2.382======================= Grid point 50 (28/40) =======================q-point: (-0.25 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.860 ( 5.738 7.511 2.175) 9.699 0.943 ( 2.827 2.177 -0.680) 3.632 1.130 ( 2.740 2.929 -0.310) 4.023 1.226 ( -0.086 -3.549 -2.001) 4.075 1.315 ( 1.272 0.263 -1.592) 2.055 1.335 ( 0.273 1.107 -0.637) 1.306 1.375 ( 2.714 5.594 1.529) 6.402 1.394 ( 0.579 0.565 0.673) 1.052 1.422 ( -0.480 -0.445 -0.003) 0.655 1.499 ( 3.534 -2.745 -1.073) 4.601 1.530 ( 2.381 6.260 -3.860) 7.730 1.585 ( 0.758 4.763 -3.504) 5.962 1.621 ( 0.045 -4.239 0.777) 4.309 1.694 ( 1.932 -4.147 -1.705) 4.882 1.741 ( -0.356 2.650 0.675) 2.757 1.765 ( -1.848 -2.283 -4.127) 5.065 1.802 ( -0.907 -2.445 -2.760) 3.797 1.838 ( 2.004 -4.858 1.909) 5.591 2.019 ( -1.846 5.275 1.313) 5.741 2.074 ( -0.965 9.207 1.701) 9.413 2.078 ( 0.498 -1.212 -1.664) 2.118 2.144 ( -2.284 2.056 2.141) 3.745 2.171 ( -2.729 0.405 0.380) 2.785 2.194 ( -0.159 -1.397 -1.148) 1.815 2.212 ( 0.491 2.334 3.359) 4.120 2.261 ( 3.025 -1.657 1.675) 3.834 2.284 ( -2.440 1.100 1.041) 2.871 2.312 ( -1.266 -2.354 1.198) 2.929 2.362 ( 2.167 -0.105 0.487) 2.224 2.410 ( 2.734 -2.812 -0.763) 3.995 2.444 ( 0.250 2.280 0.749) 2.413 2.476 ( 0.347 -0.142 -0.099) 0.388 2.593 ( -0.508 0.678 0.044) 0.849 2.625 ( -0.782 -2.463 1.036) 2.784 2.782 ( -0.652 3.834 -0.661) 3.945 2.804 ( 1.697 0.060 0.505) 1.771 2.834 ( -1.721 -2.056 0.753) 2.785 2.862 ( -2.544 -3.136 -0.527) 4.072 2.921 ( 0.653 -0.616 -0.642) 1.104 2.954 ( -1.096 -2.741 -0.792) 3.056 3.066 ( -2.412 2.859 1.330) 3.970 3.116 ( -1.666 0.594 0.798) 1.941 3.127 ( 0.101 1.582 0.398) 1.635 3.176 ( 1.824 -1.750 1.142) 2.773 3.203 ( 0.443 -1.287 2.820) 3.131 3.222 ( 1.878 1.094 0.303) 2.195 3.246 ( -0.844 -2.745 -1.647) 3.311 3.272 ( -0.157 -4.904 0.971) 5.001 3.421 ( 0.194 0.101 -2.819) 2.828 3.441 ( 0.523 -1.705 -2.271) 2.888 3.583 ( -2.417 0.672 -1.073) 2.728 3.596 ( -2.020 -0.142 -0.221) 2.037 3.703 ( 1.281 3.475 2.173) 4.294 3.727 ( -0.285 1.157 0.231) 1.214 3.811 ( 1.551 2.554 1.748) 3.463 3.849 ( 2.114 -0.807 -0.265) 2.278 3.912 ( -2.595 0.122 -0.443) 2.636 3.935 ( -0.465 -2.668 -0.075) 2.709 3.945 ( 0.347 -1.149 0.098) 1.204 3.973 ( -0.616 -2.466 -1.602) 3.004 4.091 ( -0.154 0.809 -0.660) 1.055 4.118 ( 0.493 -2.151 -0.514) 2.266 4.279 ( -0.082 0.368 -0.322) 0.496 4.286 ( -0.227 -0.263 -0.297) 0.458 4.344 ( 0.311 0.691 0.906) 1.181 4.347 ( 0.589 0.360 1.105) 1.303 4.414 ( -1.760 1.934 -0.705) 2.709 4.438 ( -1.374 0.085 -0.450) 1.448 4.467 ( -0.908 0.567 0.446) 1.160 4.482 ( -0.495 -0.648 1.250) 1.493 4.536 ( 1.345 0.087 -0.104) 1.352 4.551 ( 1.918 -1.182 -0.245) 2.267 4.628 ( 0.308 2.051 -0.153) 2.080 4.660 ( 0.280 -1.199 -0.914) 1.533 4.758 ( -0.216 0.405 -0.184) 0.495 4.772 ( 0.305 -1.118 -0.302) 1.198 5.011 ( -1.215 1.438 -0.445) 1.934 5.021 ( -1.451 0.298 -0.399) 1.535 5.120 ( 0.854 2.214 0.743) 2.487 5.161 ( 1.139 -1.682 0.684) 2.144 5.186 ( 0.517 0.648 0.087) 0.833 5.205 ( 1.369 -1.537 -0.355) 2.089 5.244 ( 0.117 1.242 0.450) 1.326 5.270 ( -0.044 -1.533 0.185) 1.545 5.334 ( -1.482 1.525 0.680) 2.232 5.359 ( -0.721 -0.388 -0.555) 0.989 5.397 ( -0.676 0.006 -0.149) 0.693 5.415 ( 0.383 -1.150 -0.553) 1.333 5.524 ( 0.169 0.231 0.132) 0.315 5.531 ( 0.208 -0.462 -0.204) 0.546 5.668 ( 0.495 0.722 -0.098) 0.881 5.677 ( 0.641 -0.129 -0.218) 0.689 5.739 ( -0.746 0.736 0.630) 1.223 5.752 ( -0.120 -0.593 0.522) 0.799 5.920 ( -0.267 -0.350 0.055) 0.444 5.928 ( -0.122 -1.150 -0.120) 1.163 8.255 ( 0.495 0.219 -0.400) 0.673 8.257 ( 0.517 -0.050 -0.329) 0.615 8.516 ( -0.343 0.507 0.281) 0.674 8.523 ( -0.754 0.130 0.147) 0.780 8.525 ( -0.282 -0.063 0.071) 0.298 8.531 ( -0.506 -0.372 -0.203) 0.660 8.788 ( -0.715 1.299 0.930) 1.751 8.806 ( -0.698 -0.440 0.885) 1.210 9.105 ( 0.017 0.431 0.178) 0.466 9.115 ( -0.726 -0.364 -0.235) 0.845 9.132 ( 0.616 0.008 -0.116) 0.627 9.135 ( 0.094 -0.156 -0.415) 0.453 9.385 ( -0.400 0.506 0.298) 0.710 9.397 ( -0.160 -0.414 -0.383) 0.586 9.420 ( 1.280 1.449 -0.194) 1.943 9.452 ( 1.061 -1.279 -0.261) 1.682 9.519 ( 0.469 1.338 -0.045) 1.419 9.549 ( 1.136 -1.498 -0.541) 1.956 9.616 ( 0.967 -0.040 0.211) 0.991 9.617 ( 1.073 -0.131 -1.017) 1.484 9.650 ( -1.243 0.504 0.578) 1.461 9.687 ( -0.881 -3.112 -0.801) 3.332 9.869 ( -0.646 1.479 0.932) 1.864 9.901 ( -0.232 -1.644 0.132) 1.666======================= Grid point 63 (29/40) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.758 ( 8.127 0.000 -15.831) 17.795 0.758 ( -8.127 0.000 15.831) 17.795 0.853 ( 2.781 0.000 -15.409) 15.658 0.853 ( -2.781 0.000 15.409) 15.658 1.254 ( -3.596 0.000 0.926) 3.713 1.254 ( 3.596 0.000 -0.926) 3.713 1.277 ( 2.523 0.000 -1.904) 3.161 1.277 ( -2.523 0.000 1.904) 3.161 1.395 ( 0.721 0.000 -11.957) 11.979 1.395 ( -0.721 0.000 11.957) 11.979 1.445 ( -0.282 0.000 -0.520) 0.592 1.445 ( 0.282 0.000 0.520) 0.592 1.625 ( -3.827 0.000 -4.461) 5.877 1.625 ( 3.827 0.000 4.461) 5.877 1.788 ( -1.303 0.000 -1.048) 1.672 1.788 ( 1.303 0.000 1.048) 1.672 1.901 ( -2.476 0.000 -2.805) 3.741 1.901 ( 2.476 0.000 2.805) 3.741 2.005 ( -1.746 0.000 -1.269) 2.158 2.005 ( 1.746 0.000 1.269) 2.158 2.051 ( -1.330 0.000 -3.963) 4.180 2.051 ( 1.330 0.000 3.963) 4.180 2.127 ( 3.287 0.000 -3.495) 4.798 2.127 ( -3.287 0.000 3.495) 4.798 2.146 ( -1.271 0.000 -6.754) 6.873 2.146 ( 1.271 0.000 6.754) 6.873 2.306 ( -0.777 0.000 -1.809) 1.969 2.306 ( 0.777 0.000 1.809) 1.969 2.369 ( 2.235 0.000 -1.704) 2.810 2.369 ( -2.235 0.000 1.704) 2.810 2.475 ( 0.846 0.000 -0.625) 1.052 2.475 ( -0.846 0.000 0.625) 1.052 2.666 ( -1.211 0.000 0.273) 1.241 2.666 ( 1.211 0.000 -0.273) 1.241 2.812 ( 3.678 0.000 -2.498) 4.446 2.812 ( -3.678 0.000 2.498) 4.446 2.874 ( -0.447 0.000 -5.139) 5.159 2.874 ( 0.447 0.000 5.139) 5.159 2.939 ( 1.257 0.000 -2.038) 2.394 2.939 ( -1.257 0.000 2.038) 2.394 3.121 ( -2.398 0.000 -2.522) 3.480 3.121 ( 2.398 0.000 2.522) 3.480 3.173 ( 2.221 0.000 -2.813) 3.584 3.173 ( -2.221 0.000 2.813) 3.584 3.386 ( 3.010 0.000 -3.856) 4.892 3.386 ( -3.010 0.000 3.856) 4.892 3.402 ( 2.807 0.000 -5.103) 5.824 3.402 ( -2.807 0.000 5.103) 5.824 3.462 ( -6.418 0.000 -0.366) 6.429 3.462 ( 6.418 0.000 0.366) 6.429 3.541 ( -1.670 0.000 -0.321) 1.701 3.541 ( 1.670 0.000 0.321) 1.701 3.644 ( 1.735 0.000 -2.663) 3.178 3.644 ( -1.735 0.000 2.663) 3.178 3.867 ( -3.047 0.000 -1.302) 3.313 3.867 ( 3.047 0.000 1.302) 3.313 4.005 ( -3.784 0.000 -2.490) 4.530 4.005 ( 3.784 0.000 2.490) 4.530 4.041 ( -8.076 0.000 0.620) 8.100 4.041 ( 8.076 0.000 -0.620) 8.100 4.116 ( 1.853 0.000 -0.700) 1.981 4.116 ( -1.853 0.000 0.700) 1.981 4.260 ( 0.778 0.000 -1.702) 1.871 4.260 ( -0.778 0.000 1.702) 1.871 4.284 ( -0.859 0.000 -0.557) 1.024 4.284 ( 0.859 0.000 0.557) 1.024 4.412 ( -1.747 0.000 0.090) 1.749 4.412 ( 1.747 0.000 -0.090) 1.749 4.461 ( -1.624 0.000 0.002) 1.624 4.461 ( 1.624 0.000 -0.002) 1.624 4.514 ( -1.721 0.000 -0.100) 1.724 4.514 ( 1.721 0.000 0.100) 1.724 4.618 ( -0.342 0.000 -2.906) 2.926 4.618 ( 0.342 0.000 2.906) 2.926 4.804 ( 0.913 0.000 -0.740) 1.175 4.804 ( -0.913 0.000 0.740) 1.175 4.911 ( 0.935 0.000 -2.488) 2.658 4.911 ( -0.935 0.000 2.488) 2.658 5.134 ( -1.507 0.000 -2.830) 3.206 5.134 ( 1.507 0.000 2.830) 3.206 5.195 ( -0.370 0.000 0.099) 0.383 5.195 ( 0.370 0.000 -0.099) 0.383 5.250 ( 1.769 0.000 -0.881) 1.976 5.250 ( -1.769 0.000 0.881) 1.976 5.389 ( -0.802 0.000 -3.565) 3.654 5.389 ( 0.802 0.000 3.565) 3.654 5.434 ( -2.531 0.000 -1.506) 2.946 5.434 ( 2.531 0.000 1.506) 2.946 5.572 ( 1.746 0.000 -1.541) 2.329 5.572 ( -1.746 0.000 1.541) 2.329 5.640 ( -1.682 0.000 -0.527) 1.763 5.640 ( 1.682 0.000 0.527) 1.763 5.742 ( -0.513 0.000 -1.526) 1.610 5.742 ( 0.513 0.000 1.526) 1.610 5.986 ( 0.318 0.000 -0.493) 0.587 5.986 ( -0.318 0.000 0.493) 0.587 8.252 ( 0.153 0.000 -0.736) 0.752 8.252 ( -0.153 0.000 0.736) 0.752 8.511 ( -0.159 0.000 -0.232) 0.281 8.511 ( 0.159 0.000 0.232) 0.281 8.516 ( 0.511 0.000 -0.890) 1.026 8.516 ( -0.511 0.000 0.890) 1.026 8.749 ( -0.206 0.000 -0.912) 0.935 8.749 ( 0.206 0.000 0.912) 0.935 9.097 ( 1.098 0.000 -0.999) 1.484 9.097 ( -1.098 0.000 0.999) 1.484 9.177 ( -0.439 0.000 -0.583) 0.730 9.177 ( 0.439 0.000 0.583) 0.730 9.352 ( 0.815 0.000 -0.652) 1.044 9.352 ( -0.815 0.000 0.652) 1.044 9.410 ( -0.079 0.000 -1.181) 1.184 9.410 ( 0.079 0.000 1.181) 1.184 9.495 ( 0.215 0.000 -0.362) 0.421 9.495 ( -0.215 0.000 0.362) 0.421 9.644 ( 0.989 0.000 -1.671) 1.942 9.644 ( -0.989 0.000 1.671) 1.942 9.799 ( 1.182 0.000 -5.051) 5.188 9.799 ( -1.182 0.000 5.051) 5.188 9.942 ( 0.477 0.000 -0.330) 0.580 9.942 ( -0.477 0.000 0.330) 0.580======================= Grid point 65 (30/40) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.778 ( 2.028 0.000 10.906) 11.093 0.842 ( 7.901 0.000 -15.290) 17.211 0.888 ( 8.769 0.000 -12.151) 14.985 0.950 ( 2.830 0.000 12.498) 12.815 1.110 ( -12.419 0.000 7.352) 14.432 1.142 ( -7.783 0.000 5.629) 9.605 1.238 ( -4.167 0.000 -1.550) 4.446 1.303 ( 0.986 0.000 -2.884) 3.048 1.374 ( 9.104 0.000 -17.597) 19.812 1.380 ( -2.233 0.000 -4.211) 4.766 1.437 ( -2.577 0.000 -0.469) 2.619 1.495 ( 2.227 0.000 0.061) 2.228 1.653 ( 5.730 0.000 2.239) 6.152 1.694 ( -3.864 0.000 -4.874) 6.220 1.757 ( 0.659 0.000 5.057) 5.099 1.838 ( 6.450 0.000 2.233) 6.825 1.853 ( -1.910 0.000 3.697) 4.162 1.913 ( -6.405 0.000 5.816) 8.652 1.968 ( -1.096 0.000 1.550) 1.898 2.003 ( -0.228 0.000 -2.372) 2.383 2.003 ( -3.216 0.000 3.346) 4.640 2.085 ( -0.830 0.000 1.288) 1.532 2.093 ( -1.091 0.000 -5.961) 6.060 2.131 ( 1.616 0.000 1.353) 2.108 2.155 ( 0.070 0.000 -1.862) 1.863 2.217 ( 0.476 0.000 4.938) 4.961 2.262 ( -0.729 0.000 -0.556) 0.916 2.294 ( -2.232 0.000 0.681) 2.334 2.344 ( 0.998 0.000 -0.348) 1.057 2.384 ( 0.732 0.000 -4.259) 4.322 2.448 ( -2.575 0.000 2.028) 3.278 2.455 ( -1.662 0.000 2.048) 2.638 2.662 ( 1.369 0.000 -1.034) 1.716 2.669 ( 0.147 0.000 -0.144) 0.206 2.802 ( 1.400 0.000 -3.713) 3.969 2.804 ( 0.253 0.000 5.039) 5.045 2.929 ( -0.319 0.000 2.234) 2.257 2.941 ( 1.507 0.000 -1.766) 2.322 2.949 ( 1.287 0.000 3.091) 3.348 2.992 ( 6.177 0.000 -0.178) 6.179 3.045 ( -0.509 0.000 -5.387) 5.411 3.130 ( -1.555 0.000 2.104) 2.616 3.181 ( -0.037 0.000 1.755) 1.755 3.207 ( 1.377 0.000 -4.081) 4.307 3.322 ( -1.340 0.000 3.723) 3.957 3.330 ( -0.540 0.000 -5.530) 5.557 3.377 ( -2.889 0.000 0.836) 3.008 3.424 ( -0.503 0.000 -4.914) 4.939 3.451 ( 1.556 0.000 2.049) 2.573 3.521 ( 0.415 0.000 2.345) 2.381 3.560 ( 0.088 0.000 1.117) 1.121 3.599 ( -2.528 0.000 -4.411) 5.085 3.667 ( 0.150 0.000 1.185) 1.195 3.670 ( 2.716 0.000 4.198) 5.000 3.779 ( -0.725 0.000 6.660) 6.699 3.820 ( -5.471 0.000 -1.262) 5.615 3.942 ( 0.501 0.000 -0.920) 1.048 3.975 ( 2.109 0.000 1.658) 2.683 4.046 ( 0.237 0.000 2.338) 2.350 4.077 ( -2.173 0.000 -1.456) 2.616 4.100 ( -1.976 0.000 0.844) 2.149 4.179 ( 2.210 0.000 -3.613) 4.235 4.257 ( -0.305 0.000 1.149) 1.189 4.282 ( 0.711 0.000 0.126) 0.722 4.290 ( 2.363 0.000 -2.086) 3.151 4.309 ( 1.220 0.000 -0.287) 1.253 4.365 ( -1.876 0.000 0.245) 1.892 4.412 ( -1.473 0.000 -0.159) 1.482 4.459 ( 0.848 0.000 0.971) 1.289 4.495 ( 1.068 0.000 -0.040) 1.069 4.513 ( 0.938 0.000 0.207) 0.961 4.567 ( 2.607 0.000 -2.326) 3.493 4.594 ( 0.417 0.000 -3.122) 3.150 4.631 ( -0.890 0.000 2.242) 2.413 4.791 ( -0.608 0.000 1.102) 1.258 4.805 ( -0.103 0.000 -1.613) 1.616 4.907 ( 0.342 0.000 -2.091) 2.119 4.909 ( -0.723 0.000 2.878) 2.967 5.097 ( 0.810 0.000 -2.830) 2.944 5.174 ( 1.510 0.000 0.249) 1.530 5.193 ( -0.454 0.000 -1.231) 1.312 5.196 ( 0.514 0.000 0.422) 0.665 5.228 ( -1.650 0.000 2.213) 2.761 5.289 ( -0.130 0.000 2.963) 2.966 5.357 ( -1.916 0.000 -1.731) 2.582 5.367 ( 0.739 0.000 -2.924) 3.016 5.425 ( -0.799 0.000 3.209) 3.307 5.455 ( -1.079 0.000 0.513) 1.195 5.551 ( 0.120 0.000 0.761) 0.770 5.589 ( 0.974 0.000 -1.621) 1.891 5.624 ( 0.175 0.000 0.303) 0.350 5.687 ( 2.472 0.000 -0.309) 2.491 5.708 ( -1.682 0.000 -2.030) 2.636 5.749 ( -0.518 0.000 0.730) 0.895 5.984 ( -0.161 0.000 0.500) 0.525 5.988 ( 0.129 0.000 -0.500) 0.517 8.251 ( 0.281 0.000 -0.722) 0.774 8.253 ( -0.193 0.000 0.698) 0.724 8.501 ( -0.394 0.000 -0.228) 0.455 8.501 ( -0.774 0.000 0.745) 1.074 8.522 ( 0.469 0.000 -0.819) 0.944 8.523 ( 0.222 0.000 0.369) 0.430 8.742 ( 0.167 0.000 -0.488) 0.516 8.754 ( -0.435 0.000 1.076) 1.161 9.087 ( -0.503 0.000 1.000) 1.119 9.111 ( 0.366 0.000 -1.127) 1.185 9.145 ( -0.978 0.000 -0.627) 1.162 9.166 ( -0.884 0.000 -0.003) 0.884 9.377 ( 1.171 0.000 0.839) 1.440 9.397 ( 1.303 0.000 -1.468) 1.963 9.421 ( 3.023 0.000 -0.822) 3.133 9.436 ( 1.611 0.000 0.748) 1.776 9.516 ( 2.231 0.000 -0.323) 2.255 9.519 ( 2.466 0.000 1.282) 2.779 9.630 ( -1.509 0.000 1.776) 2.330 9.640 ( -0.825 0.000 -1.247) 1.495 9.783 ( 0.477 0.000 -4.612) 4.637 9.801 ( -2.110 0.000 5.496) 5.887 9.901 ( -2.598 0.000 -0.980) 2.777 9.920 ( -1.851 0.000 -0.606) 1.947======================= Grid point 66 (31/40) =======================q-point: (-0.50 0.00 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( 6.001 0.000 -11.283) 12.779 0.894 ( -6.001 0.000 11.283) 12.779 0.979 ( 9.616 0.000 -5.149) 10.908 0.979 ( -9.616 0.000 5.149) 10.908 1.035 ( -4.064 0.000 -2.062) 4.558 1.035 ( 4.064 0.000 2.062) 4.558 1.183 ( -3.896 0.000 -9.620) 10.379 1.183 ( 3.896 0.000 9.620) 10.379 1.394 ( -1.923 0.000 -0.003) 1.923 1.394 ( 1.923 0.000 0.003) 1.923 1.505 ( 3.095 0.000 -4.480) 5.445 1.505 ( -3.095 0.000 4.480) 5.445 1.691 ( 13.682 0.000 -8.223) 15.963 1.691 ( -13.682 0.000 8.223) 15.963 1.769 ( -0.715 0.000 -2.921) 3.007 1.769 ( 0.715 0.000 2.921) 3.007 1.876 ( -1.625 0.000 -4.189) 4.493 1.876 ( 1.625 0.000 4.189) 4.493 1.961 ( 1.747 0.000 -2.043) 2.688 1.961 ( -1.747 0.000 2.043) 2.688 2.057 ( 2.365 0.000 -2.389) 3.362 2.057 ( -2.365 0.000 2.389) 3.362 2.110 ( -4.246 0.000 -3.696) 5.630 2.110 ( 4.246 0.000 3.696) 5.630 2.192 ( -2.709 0.000 -0.941) 2.868 2.192 ( 2.709 0.000 0.941) 2.868 2.255 ( -0.695 0.000 -0.041) 0.696 2.255 ( 0.695 0.000 0.041) 0.696 2.372 ( -0.450 0.000 -0.397) 0.600 2.372 ( 0.450 0.000 0.397) 0.600 2.438 ( -0.256 0.000 -0.407) 0.481 2.438 ( 0.256 0.000 0.407) 0.481 2.681 ( 0.283 0.000 -0.873) 0.917 2.681 ( -0.283 0.000 0.873) 0.917 2.823 ( 1.622 0.000 -3.375) 3.744 2.823 ( -1.622 0.000 3.375) 3.744 2.946 ( 0.467 0.000 -3.609) 3.639 2.946 ( -0.467 0.000 3.609) 3.639 2.975 ( -0.670 0.000 -2.609) 2.694 2.975 ( 0.670 0.000 2.609) 2.694 3.117 ( 1.800 0.000 -1.643) 2.437 3.117 ( -1.800 0.000 1.643) 2.437 3.178 ( 1.653 0.000 -3.912) 4.247 3.178 ( -1.653 0.000 3.912) 4.247 3.314 ( 0.645 0.000 -2.470) 2.553 3.314 ( -0.645 0.000 2.470) 2.553 3.371 ( -0.236 0.000 -4.210) 4.216 3.371 ( 0.236 0.000 4.210) 4.216 3.510 ( -2.937 0.000 -1.620) 3.354 3.510 ( 2.937 0.000 1.620) 3.354 3.573 ( -0.047 0.000 -2.722) 2.723 3.573 ( 0.047 0.000 2.722) 2.723 3.640 ( -0.258 0.000 -1.695) 1.714 3.640 ( 0.258 0.000 1.695) 1.714 3.798 ( 3.365 0.000 -3.700) 5.001 3.798 ( -3.365 0.000 3.700) 5.001 3.995 ( -3.926 0.000 -0.477) 3.955 3.995 ( 3.926 0.000 0.477) 3.955 4.039 ( -2.796 0.000 -0.502) 2.841 4.039 ( 2.796 0.000 0.502) 2.841 4.147 ( -3.247 0.000 -5.014) 5.973 4.147 ( 3.247 0.000 5.014) 5.973 4.279 ( -1.279 0.000 -2.669) 2.959 4.279 ( 1.279 0.000 2.669) 2.959 4.304 ( -1.033 0.000 -0.451) 1.127 4.304 ( 1.033 0.000 0.451) 1.127 4.370 ( -1.843 0.000 -0.319) 1.871 4.370 ( 1.843 0.000 0.319) 1.871 4.491 ( -1.249 0.000 -0.878) 1.527 4.491 ( 1.249 0.000 0.878) 1.527 4.545 ( -1.717 0.000 -2.873) 3.347 4.545 ( 1.717 0.000 2.873) 3.347 4.609 ( 2.396 0.000 -2.529) 3.484 4.609 ( -2.396 0.000 2.529) 3.484 4.794 ( 0.200 0.000 -1.571) 1.583 4.794 ( -0.200 0.000 1.571) 1.583 4.910 ( 1.140 0.000 -2.542) 2.786 4.910 ( -1.140 0.000 2.542) 2.786 5.147 ( -3.652 0.000 -0.055) 3.653 5.147 ( 3.652 0.000 0.055) 3.653 5.202 ( 1.314 0.000 -1.139) 1.739 5.202 ( -1.314 0.000 1.139) 1.739 5.235 ( -2.765 0.000 -0.205) 2.773 5.235 ( 2.765 0.000 0.205) 2.773 5.370 ( 0.162 0.000 -1.492) 1.501 5.370 ( -0.162 0.000 1.492) 1.501 5.422 ( -0.806 0.000 -1.316) 1.543 5.422 ( 0.806 0.000 1.316) 1.543 5.581 ( -0.854 0.000 -1.645) 1.853 5.581 ( 0.854 0.000 1.645) 1.853 5.653 ( -1.911 0.000 -1.875) 2.678 5.653 ( 1.911 0.000 1.875) 2.678 5.730 ( -1.740 0.000 0.404) 1.786 5.730 ( 1.740 0.000 -0.404) 1.786 5.986 ( 0.028 0.000 -0.495) 0.496 5.986 ( -0.028 0.000 0.495) 0.496 8.253 ( 0.285 0.000 -0.695) 0.752 8.253 ( -0.285 0.000 0.695) 0.752 8.496 ( 0.165 0.000 -0.562) 0.586 8.496 ( -0.165 0.000 0.562) 0.586 8.525 ( 0.223 0.000 -0.430) 0.485 8.525 ( -0.223 0.000 0.430) 0.485 8.747 ( 0.622 0.000 -0.706) 0.941 8.747 ( -0.622 0.000 0.706) 0.941 9.093 ( -0.485 0.000 -1.172) 1.268 9.093 ( 0.485 0.000 1.172) 1.268 9.150 ( -0.856 0.000 0.159) 0.870 9.150 ( 0.856 0.000 -0.159) 0.870 9.395 ( -0.064 0.000 -1.404) 1.406 9.395 ( 0.064 0.000 1.404) 1.406 9.456 ( 0.239 0.000 -0.389) 0.456 9.456 ( -0.239 0.000 0.389) 0.456 9.580 ( 1.920 0.000 -0.658) 2.030 9.580 ( -1.920 0.000 0.658) 2.030 9.598 ( 1.162 0.000 -0.692) 1.353 9.598 ( -1.162 0.000 0.692) 1.353 9.778 ( 2.294 0.000 -3.968) 4.583 9.778 ( -2.294 0.000 3.968) 4.583 9.882 ( -1.061 0.000 -0.367) 1.123 9.882 ( 1.061 0.000 0.367) 1.123======================= Grid point 69 (32/40) =======================q-point: ( 0.00 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( 3.651 5.403 -13.125) 14.656 0.812 ( -3.651 5.403 13.125) 14.656 0.924 ( 4.509 6.664 -14.300) 16.409 0.924 ( -4.509 6.664 14.300) 16.409 1.286 ( 1.123 2.214 -1.837) 3.089 1.286 ( -1.123 2.214 1.837) 3.089 1.301 ( 0.320 2.812 -1.763) 3.334 1.301 ( -0.320 2.812 1.763) 3.334 1.378 ( -2.109 -0.299 -8.564) 8.825 1.378 ( 2.109 -0.299 8.564) 8.825 1.521 ( -1.488 5.046 -3.217) 6.167 1.521 ( 1.488 5.046 3.217) 6.167 1.633 ( -0.219 0.158 -9.815) 9.819 1.633 ( 0.219 0.158 9.815) 9.819 1.731 ( -2.612 -2.418 -3.915) 5.291 1.731 ( 2.612 -2.418 3.915) 5.291 1.925 ( -3.257 -0.721 -4.114) 5.297 1.925 ( 3.257 -0.721 4.114) 5.297 1.993 ( -2.803 -0.550 -1.865) 3.411 1.993 ( 2.803 -0.550 1.865) 3.411 2.054 ( -1.590 1.270 -3.016) 3.638 2.054 ( 1.590 1.270 3.016) 3.638 2.109 ( 1.723 -1.017 -3.959) 4.435 2.109 ( -1.723 -1.017 3.959) 4.435 2.177 ( -1.507 2.306 -4.744) 5.486 2.177 ( 1.507 2.306 4.744) 5.486 2.289 ( 0.610 -1.056 -3.004) 3.243 2.289 ( -0.610 -1.056 3.004) 3.243 2.399 ( 1.329 2.067 -1.350) 2.804 2.399 ( -1.329 2.067 1.350) 2.804 2.493 ( -1.064 1.601 -2.155) 2.888 2.493 ( 1.064 1.601 2.155) 2.888 2.627 ( -2.498 -3.124 -0.770) 4.073 2.627 ( 2.498 -3.124 0.770) 4.073 2.822 ( -0.754 0.627 -1.841) 2.086 2.822 ( 0.754 0.627 1.841) 2.086 2.869 ( -2.669 -0.676 -2.309) 3.593 2.869 ( 2.669 -0.676 2.309) 3.593 2.952 ( 1.708 1.256 -3.023) 3.692 2.952 ( -1.708 1.256 3.023) 3.692 3.081 ( -1.225 -2.808 -2.754) 4.119 3.081 ( 1.225 -2.808 2.754) 4.119 3.198 ( 0.939 0.475 -2.250) 2.485 3.198 ( -0.939 0.475 2.250) 2.485 3.270 ( 1.313 -6.110 -1.881) 6.527 3.270 ( -1.313 -6.110 1.881) 6.527 3.397 ( -0.933 -0.164 -6.000) 6.074 3.397 ( 0.933 -0.164 6.000) 6.074 3.489 ( -3.628 -0.484 -0.234) 3.668 3.489 ( 3.628 -0.484 0.234) 3.668 3.558 ( 0.210 0.219 -1.486) 1.516 3.558 ( -0.210 0.219 1.486) 1.516 3.695 ( -0.758 4.181 -5.060) 6.608 3.695 ( 0.758 4.181 5.060) 6.608 3.835 ( -0.540 -2.824 -1.227) 3.126 3.835 ( 0.540 -2.824 1.227) 3.126 3.967 ( -2.776 -2.019 -1.078) 3.598 3.967 ( 2.776 -2.019 1.078) 3.598 4.025 ( -7.363 -1.808 -1.338) 7.699 4.025 ( 7.363 -1.808 1.338) 7.699 4.129 ( -1.617 0.302 -0.898) 1.874 4.129 ( 1.617 0.302 0.898) 1.874 4.270 ( -0.486 0.705 -1.302) 1.559 4.270 ( 0.486 0.705 1.302) 1.559 4.290 ( 0.315 1.002 -0.891) 1.377 4.290 ( -0.315 1.002 0.891) 1.377 4.393 ( 0.636 -1.208 -0.739) 1.553 4.393 ( -0.636 -1.208 0.739) 1.553 4.478 ( -1.120 0.694 -0.927) 1.611 4.478 ( 1.120 0.694 0.927) 1.611 4.529 ( -1.283 1.566 0.327) 2.051 4.529 ( 1.283 1.566 -0.327) 2.051 4.622 ( 0.065 0.326 -2.707) 2.728 4.622 ( -0.065 0.326 2.707) 2.728 4.796 ( 0.530 -0.928 -1.114) 1.544 4.796 ( -0.530 -0.928 1.114) 1.544 4.929 ( 0.243 1.719 -1.927) 2.594 4.929 ( -0.243 1.719 1.927) 2.594 5.142 ( -1.371 0.809 -2.855) 3.269 5.142 ( 1.371 0.809 2.855) 3.269 5.196 ( 0.051 0.166 -0.311) 0.356 5.196 ( -0.051 0.166 0.311) 0.356 5.249 ( 1.117 -0.051 -1.187) 1.631 5.249 ( -1.117 -0.051 1.187) 1.631 5.385 ( -0.336 -0.610 -2.944) 3.026 5.385 ( 0.336 -0.610 2.944) 3.026 5.409 ( -1.610 -1.941 -2.116) 3.291 5.409 ( 1.610 -1.941 2.116) 3.291 5.559 ( 1.343 -1.122 -1.038) 2.035 5.559 ( -1.343 -1.122 1.038) 2.035 5.657 ( -1.604 1.422 -0.572) 2.219 5.657 ( 1.604 1.422 0.572) 2.219 5.740 ( -0.734 -0.215 -1.482) 1.668 5.740 ( 0.734 -0.215 1.482) 1.668 5.976 ( 0.127 -1.026 -0.567) 1.180 5.976 ( -0.127 -1.026 0.567) 1.180 8.254 ( 0.150 0.143 -0.698) 0.728 8.254 ( -0.150 0.143 0.698) 0.728 8.509 ( -0.251 -0.085 -0.019) 0.266 8.509 ( 0.251 -0.085 0.019) 0.266 8.521 ( 0.549 0.337 -0.787) 1.017 8.521 ( -0.549 0.337 0.787) 1.017 8.756 ( -0.307 0.798 -0.902) 1.243 8.756 ( 0.307 0.798 0.902) 1.243 9.100 ( 0.914 0.195 -0.771) 1.212 9.100 ( -0.914 0.195 0.771) 1.212 9.180 ( 0.842 0.168 -1.321) 1.576 9.180 ( -0.842 0.168 1.321) 1.576 9.364 ( -1.573 0.961 0.383) 1.883 9.364 ( 1.573 0.961 -0.383) 1.883 9.411 ( -0.633 0.177 -1.023) 1.215 9.411 ( 0.633 0.177 1.023) 1.215 9.505 ( -0.638 0.871 -0.761) 1.321 9.505 ( 0.638 0.871 0.761) 1.321 9.645 ( 0.678 0.123 -1.217) 1.399 9.645 ( -0.678 0.123 1.217) 1.399 9.772 ( 0.780 -2.588 -4.448) 5.204 9.772 ( -0.780 -2.588 4.448) 5.204 9.919 ( -0.667 -2.092 -1.141) 2.475 9.919 ( 0.667 -2.092 1.141) 2.475======================= Grid point 71 (33/40) =======================q-point: ( 0.25 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 4.533 2.410 -3.092) 5.993 0.875 ( 4.761 5.688 -2.916) 7.970 0.940 ( 5.339 4.963 -9.398) 11.894 0.981 ( 1.196 2.506 11.574) 11.903 1.127 ( -11.067 2.377 5.350) 12.520 1.202 ( -5.787 4.959 2.848) 8.136 1.271 ( -4.781 3.341 -0.227) 5.837 1.319 ( 1.100 2.556 -4.036) 4.902 1.370 ( -0.667 -0.741 -1.157) 1.527 1.430 ( -0.110 2.772 -1.913) 3.370 1.463 ( 1.236 -2.395 -1.196) 2.948 1.539 ( -0.146 9.711 -12.364) 15.722 1.648 ( 2.057 -1.504 -2.653) 3.679 1.675 ( 3.458 -0.010 0.575) 3.506 1.728 ( 0.987 -2.989 7.270) 7.922 1.807 ( -0.047 -2.382 -1.210) 2.672 1.833 ( 0.022 -1.061 1.921) 2.194 1.931 ( -3.381 0.384 5.026) 6.069 1.974 ( 0.026 0.866 3.251) 3.365 2.026 ( 0.550 2.361 -1.125) 2.673 2.042 ( 0.388 2.146 0.187) 2.189 2.084 ( -0.523 2.136 -1.657) 2.753 2.094 ( -1.085 -2.092 -0.710) 2.461 2.118 ( 1.062 -2.171 -1.882) 3.063 2.151 ( 0.343 1.316 2.134) 2.531 2.207 ( -2.235 0.656 4.033) 4.658 2.266 ( -1.410 -2.119 0.305) 2.563 2.270 ( -1.192 0.592 -0.841) 1.575 2.369 ( -0.374 1.908 0.772) 2.092 2.414 ( -3.318 1.517 -1.724) 4.035 2.436 ( 2.411 1.777 -1.675) 3.432 2.510 ( -2.128 2.394 2.238) 3.907 2.612 ( 1.930 -3.703 1.039) 4.303 2.665 ( 0.485 -0.953 -0.144) 1.079 2.791 ( -1.239 -1.572 2.961) 3.574 2.807 ( 0.838 0.376 -2.660) 2.814 2.908 ( 3.460 -2.445 1.121) 4.382 2.940 ( 0.404 0.544 0.840) 1.079 2.950 ( -0.112 0.636 0.722) 0.969 3.016 ( 3.571 1.699 0.897) 4.055 3.044 ( 1.780 0.169 -4.016) 4.396 3.112 ( 0.414 -3.362 0.555) 3.433 3.163 ( -1.526 0.063 1.639) 2.240 3.185 ( -0.834 -2.237 -3.338) 4.104 3.296 ( 1.766 -1.510 0.542) 2.386 3.308 ( -0.034 -3.868 1.102) 4.022 3.342 ( -0.266 -2.370 -2.296) 3.311 3.432 ( 2.342 -1.693 -0.758) 2.987 3.441 ( -1.074 1.785 -1.036) 2.326 3.514 ( -0.330 -2.275 3.576) 4.251 3.577 ( -0.826 -1.181 2.948) 3.281 3.600 ( -0.157 -0.210 -2.693) 2.706 3.647 ( -3.571 3.738 -4.195) 6.658 3.704 ( -3.378 -0.576 -0.403) 3.450 3.743 ( -0.566 0.075 5.245) 5.276 3.805 ( -2.960 -0.922 -1.050) 3.274 3.930 ( 1.317 -2.453 -0.124) 2.787 3.967 ( 2.308 -0.215 1.458) 2.739 4.033 ( 3.269 -0.253 1.207) 3.494 4.076 ( -1.918 0.027 1.101) 2.212 4.113 ( -1.715 -1.438 0.544) 2.303 4.177 ( 1.643 -0.306 -2.739) 3.209 4.272 ( 0.887 -0.240 -0.092) 0.923 4.276 ( 0.020 1.654 0.367) 1.694 4.300 ( 0.862 0.207 -0.321) 0.943 4.316 ( 1.467 0.970 -0.832) 1.945 4.371 ( -0.883 0.750 0.479) 1.253 4.394 ( -0.018 -1.281 -0.264) 1.308 4.479 ( 0.429 1.046 0.646) 1.302 4.504 ( -0.141 0.917 -0.043) 0.929 4.522 ( 0.976 1.033 0.566) 1.530 4.552 ( 1.664 -0.884 -1.924) 2.693 4.600 ( -0.217 0.506 -2.147) 2.217 4.631 ( -0.836 0.022 1.783) 1.969 4.788 ( -0.660 -0.491 1.151) 1.415 4.792 ( -0.039 -1.146 -1.256) 1.701 4.921 ( 0.422 1.668 -1.105) 2.045 4.939 ( -0.205 2.498 1.767) 3.067 5.107 ( 0.572 0.769 -2.642) 2.810 5.175 ( 0.880 0.225 0.104) 0.914 5.193 ( -0.468 0.004 -0.971) 1.078 5.206 ( 0.926 0.854 0.275) 1.289 5.225 ( -1.733 -0.152 1.991) 2.644 5.279 ( -0.727 -0.865 2.522) 2.764 5.345 ( -0.680 -0.995 -1.121) 1.647 5.368 ( 0.530 0.073 -2.842) 2.892 5.414 ( -0.661 -1.003 2.946) 3.181 5.439 ( -0.160 -1.411 0.809) 1.634 5.545 ( 0.108 -0.586 0.607) 0.850 5.573 ( 0.758 -1.299 -1.228) 1.941 5.634 ( -0.266 0.898 -0.024) 0.937 5.697 ( 1.216 0.633 -1.074) 1.742 5.706 ( -0.827 0.104 -0.823) 1.172 5.752 ( -0.291 0.194 0.701) 0.783 5.973 ( -0.051 -1.072 0.079) 1.076 5.978 ( 0.011 -1.045 -0.195) 1.063 8.250 ( -0.024 -0.027 -0.240) 0.243 8.254 ( -0.158 -0.010 0.127) 0.203 8.500 ( -0.199 0.243 0.251) 0.403 8.512 ( -0.619 0.586 0.354) 0.923 8.523 ( 0.554 0.084 -0.398) 0.687 8.526 ( 0.327 0.250 -0.193) 0.455 8.748 ( 0.208 0.734 -0.496) 0.910 8.764 ( -0.338 1.022 0.952) 1.437 9.092 ( -0.333 0.422 0.874) 1.026 9.114 ( 0.680 0.256 -0.892) 1.150 9.146 ( -1.401 0.018 -0.254) 1.424 9.171 ( -0.953 0.317 -0.934) 1.372 9.374 ( 1.174 -0.195 0.725) 1.394 9.396 ( 0.515 -0.079 -0.705) 0.877 9.413 ( 1.800 -0.521 -0.184) 1.883 9.456 ( 2.067 1.345 -0.373) 2.494 9.509 ( 2.471 -0.218 -0.039) 2.481 9.531 ( 1.530 0.685 0.901) 1.903 9.629 ( -1.687 -0.262 0.822) 1.895 9.637 ( -1.010 -0.076 -0.529) 1.143 9.751 ( -0.044 -3.010 -2.759) 4.083 9.781 ( -1.387 -1.959 3.392) 4.155 9.883 ( -1.381 -1.468 -0.949) 2.228 9.914 ( -1.429 -0.601 0.236) 1.568======================= Grid point 72 (34/40) =======================q-point: (-0.50 0.14 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.916 ( 4.322 1.220 -8.746) 9.832 0.916 ( -4.322 1.220 8.746) 9.832 0.999 ( 7.506 2.119 -7.908) 11.107 0.999 ( -7.506 2.119 7.908) 11.107 1.091 ( -5.285 5.104 -5.921) 9.436 1.091 ( 5.285 5.104 5.921) 9.436 1.225 ( -2.634 3.856 -9.770) 10.829 1.225 ( 2.634 3.856 9.770) 10.829 1.395 ( -1.564 0.707 -2.267) 2.843 1.395 ( 1.564 0.707 2.267) 2.843 1.486 ( -0.381 -1.572 -3.639) 3.983 1.486 ( 0.381 -1.572 3.639) 3.983 1.715 ( 9.075 0.389 -5.608) 10.675 1.715 ( -9.075 0.389 5.608) 10.675 1.758 ( 0.079 0.851 -1.115) 1.405 1.758 ( -0.079 0.851 1.115) 1.405 1.863 ( -1.100 0.950 -2.300) 2.721 1.863 ( 1.100 0.950 2.300) 2.721 2.022 ( -0.580 1.456 -2.246) 2.739 2.022 ( 0.580 1.456 2.246) 2.739 2.055 ( 1.066 0.260 -2.050) 2.325 2.055 ( -1.066 0.260 2.050) 2.325 2.122 ( -4.091 2.200 -1.867) 5.006 2.122 ( 4.091 2.200 1.867) 5.006 2.160 ( 0.686 -1.319 -2.026) 2.512 2.160 ( -0.686 -1.319 2.026) 2.512 2.254 ( 1.261 -0.599 -3.584) 3.846 2.254 ( -1.261 -0.599 3.584) 3.846 2.372 ( 1.089 1.190 -3.311) 3.683 2.372 ( -1.089 1.190 3.311) 3.683 2.476 ( 1.722 1.573 -1.958) 3.045 2.476 ( -1.722 1.573 1.958) 3.045 2.655 ( -0.638 -2.039 -1.318) 2.511 2.655 ( 0.638 -2.039 1.318) 2.511 2.807 ( 0.654 -1.488 -3.578) 3.930 2.807 ( -0.654 -1.488 3.578) 3.930 2.939 ( 0.644 -0.482 -3.204) 3.304 2.939 ( -0.644 -0.482 3.204) 3.304 2.984 ( -2.059 1.147 -2.088) 3.149 2.984 ( 2.059 1.147 2.088) 3.149 3.122 ( -0.228 -1.413 -0.956) 1.721 3.122 ( 0.228 -1.413 0.956) 1.721 3.149 ( 1.724 -1.482 -3.726) 4.365 3.149 ( -1.724 -1.482 3.726) 4.365 3.303 ( -0.616 -1.325 -1.775) 2.299 3.303 ( 0.616 -1.325 1.775) 2.299 3.378 ( -1.712 0.317 -2.532) 3.073 3.378 ( 1.712 0.317 2.532) 3.073 3.517 ( 2.889 -4.878 -2.489) 6.191 3.517 ( -2.889 -4.878 2.489) 6.191 3.546 ( -0.876 1.960 -2.381) 3.206 3.546 ( 0.876 1.960 2.381) 3.206 3.624 ( -3.899 -0.226 -0.562) 3.946 3.624 ( 3.899 -0.226 0.562) 3.946 3.769 ( 0.101 -0.299 -2.367) 2.388 3.769 ( -0.101 -0.299 2.367) 2.388 3.998 ( -3.350 -0.915 0.584) 3.521 3.998 ( 3.350 -0.915 -0.584) 3.521 4.055 ( -1.568 0.084 -1.696) 2.311 4.055 ( 1.568 0.084 1.696) 2.311 4.141 ( -2.550 -0.582 -5.240) 5.857 4.141 ( 2.550 -0.582 5.240) 5.857 4.284 ( 0.232 0.183 -1.228) 1.263 4.284 ( -0.232 0.183 1.228) 1.263 4.311 ( -0.318 0.917 -1.204) 1.547 4.311 ( 0.318 0.917 1.204) 1.547 4.380 ( -0.826 0.898 -0.521) 1.327 4.380 ( 0.826 0.898 0.521) 1.327 4.494 ( -0.680 0.244 -0.824) 1.096 4.494 ( 0.680 0.244 0.824) 1.096 4.542 ( -0.897 0.077 -1.252) 1.543 4.542 ( 0.897 0.077 1.252) 1.543 4.610 ( 1.715 0.141 -2.673) 3.179 4.610 ( -1.715 0.141 2.673) 3.179 4.787 ( 0.364 -0.765 -1.314) 1.563 4.787 ( -0.364 -0.765 1.314) 1.563 4.935 ( 1.339 2.330 -1.581) 3.118 4.935 ( -1.339 2.330 1.581) 3.118 5.147 ( -2.850 -0.052 -0.104) 2.852 5.147 ( 2.850 -0.052 0.104) 2.852 5.195 ( 1.425 -0.447 -0.992) 1.792 5.195 ( -1.425 -0.447 0.992) 1.792 5.240 ( 0.639 0.451 -1.322) 1.536 5.240 ( -0.639 0.451 1.322) 1.536 5.365 ( -0.092 -0.474 -1.575) 1.647 5.365 ( 0.092 -0.474 1.575) 1.647 5.420 ( -0.741 -0.271 -1.403) 1.610 5.420 ( 0.741 -0.271 1.403) 1.610 5.567 ( -0.693 -1.273 -1.139) 1.843 5.567 ( 0.693 -1.273 1.139) 1.843 5.654 ( -1.577 0.090 -1.586) 2.238 5.654 ( 1.577 0.090 1.586) 2.238 5.737 ( -1.064 0.595 0.011) 1.219 5.737 ( 1.064 0.595 -0.011) 1.219 5.975 ( 0.051 -1.064 -0.552) 1.200 5.975 ( -0.051 -1.064 0.552) 1.200 8.251 ( 0.215 -0.160 -0.606) 0.663 8.251 ( -0.215 -0.160 0.606) 0.663 8.503 ( 0.139 0.627 -0.648) 0.912 8.503 ( -0.139 0.627 0.648) 0.912 8.528 ( 0.249 0.251 -0.429) 0.556 8.528 ( -0.249 0.251 0.429) 0.556 8.756 ( 0.660 0.959 -0.743) 1.381 8.756 ( -0.660 0.959 0.743) 1.381 9.100 ( -0.498 0.623 -1.232) 1.468 9.100 ( 0.498 0.623 1.232) 1.468 9.148 ( -0.694 -0.224 -0.402) 0.833 9.148 ( 0.694 -0.224 0.402) 0.833 9.391 ( -0.051 -0.296 -1.276) 1.311 9.391 ( 0.051 -0.296 1.276) 1.311 9.454 ( -1.281 -0.282 -0.392) 1.369 9.454 ( 1.281 -0.282 0.392) 1.369 9.571 ( 0.670 -0.816 -0.688) 1.260 9.571 ( -0.670 -0.816 0.688) 1.260 9.599 ( -0.648 0.023 -0.266) 0.701 9.599 ( 0.648 0.023 0.266) 0.701 9.755 ( 1.840 -2.244 -3.220) 4.334 9.755 ( -1.840 -2.244 3.220) 4.334 9.882 ( -0.148 0.088 -1.589) 1.598 9.882 ( 0.148 0.088 1.589) 1.598======================= Grid point 75 (35/40) =======================q-point: ( 0.00 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.936 ( -1.238 6.637 -7.619) 10.180 0.936 ( 1.238 6.637 7.619) 10.180 1.087 ( 1.943 9.953 -9.866) 14.148 1.087 ( -1.943 9.953 9.866) 14.148 1.306 ( -3.106 -0.626 -1.323) 3.434 1.306 ( 3.106 -0.626 1.323) 3.434 1.360 ( 0.807 2.857 -3.322) 4.455 1.360 ( -0.807 2.857 3.322) 4.455 1.410 ( -2.699 3.052 -1.549) 4.358 1.410 ( 2.699 3.052 1.549) 4.358 1.543 ( -3.595 -2.085 -3.239) 5.269 1.543 ( 3.595 -2.085 3.239) 5.269 1.600 ( 0.478 -0.819 -5.054) 5.142 1.600 ( -0.478 -0.819 5.054) 5.142 1.782 ( 0.286 -2.658 -2.756) 3.840 1.782 ( -0.286 -2.658 2.756) 3.840 1.859 ( -2.875 1.465 -3.849) 5.023 1.859 ( 2.875 1.465 3.849) 5.023 1.998 ( -2.542 -0.321 -3.533) 4.364 1.998 ( 2.542 -0.321 3.533) 4.364 2.053 ( -1.034 -0.352 -0.627) 1.259 2.053 ( 1.034 -0.352 0.627) 1.259 2.147 ( 0.962 4.428 -0.898) 4.619 2.147 ( -0.962 4.428 0.898) 4.619 2.213 ( -1.945 1.251 -2.612) 3.489 2.213 ( 1.945 1.251 2.612) 3.489 2.301 ( 2.313 2.730 -2.728) 4.499 2.301 ( -2.313 2.730 2.728) 4.499 2.425 ( 2.489 0.547 -0.975) 2.728 2.425 ( -2.489 0.547 0.975) 2.728 2.500 ( -1.503 -1.408 -0.711) 2.178 2.500 ( 1.503 -1.408 0.711) 2.178 2.595 ( -1.632 0.537 -3.398) 3.807 2.595 ( 1.632 0.537 3.398) 3.807 2.810 ( -1.223 -2.222 -4.116) 4.835 2.810 ( 1.223 -2.222 4.116) 4.835 2.872 ( 0.484 1.311 -0.847) 1.634 2.872 ( -0.484 1.311 0.847) 1.634 2.964 ( -0.018 -0.872 -1.443) 1.686 2.964 ( 0.018 -0.872 1.443) 1.686 3.028 ( 0.907 -2.552 -1.582) 3.137 3.028 ( -0.907 -2.552 1.582) 3.137 3.162 ( 0.310 -0.726 -4.273) 4.345 3.162 ( -0.310 -0.726 4.273) 4.345 3.226 ( -1.719 -1.306 -2.629) 3.402 3.226 ( 1.719 -1.306 2.629) 3.402 3.378 ( -2.661 -2.193 -4.949) 6.032 3.378 ( 2.661 -2.193 4.949) 6.032 3.446 ( -1.505 -3.144 -3.414) 4.879 3.446 ( 1.505 -3.144 3.414) 4.879 3.562 ( -3.022 0.477 0.191) 3.066 3.562 ( 3.022 0.477 -0.191) 3.066 3.747 ( -1.024 0.344 -5.507) 5.612 3.747 ( 1.024 0.344 5.507) 5.612 3.793 ( 0.093 -0.524 -2.291) 2.352 3.793 ( -0.093 -0.524 2.291) 2.352 3.948 ( -3.080 -0.560 -0.390) 3.154 3.948 ( 3.080 -0.560 0.390) 3.154 3.979 ( -5.509 -2.375 -1.029) 6.087 3.979 ( 5.509 -2.375 1.029) 6.087 4.123 ( -1.063 -0.550 -0.853) 1.470 4.123 ( 1.063 -0.550 0.853) 1.470 4.278 ( -0.843 0.359 -0.406) 1.003 4.278 ( 0.843 0.359 0.406) 1.003 4.328 ( 1.147 2.354 -1.552) 3.044 4.328 ( -1.147 2.354 1.552) 3.044 4.380 ( -0.867 -0.006 -0.205) 0.891 4.380 ( 0.867 -0.006 0.205) 0.891 4.482 ( -1.000 -0.085 -1.312) 1.652 4.482 ( 1.000 -0.085 1.312) 1.652 4.558 ( 0.035 1.152 -0.672) 1.334 4.558 ( -0.035 1.152 0.672) 1.334 4.626 ( 0.550 0.074 -1.964) 2.041 4.626 ( -0.550 0.074 1.964) 2.041 4.772 ( -0.027 -1.355 -1.049) 1.713 4.772 ( 0.027 -1.355 1.049) 1.713 4.966 ( -0.432 1.832 -0.726) 2.018 4.966 ( 0.432 1.832 0.726) 2.018 5.163 ( -1.247 1.254 -2.341) 2.934 5.163 ( 1.247 1.254 2.341) 2.934 5.201 ( -0.095 0.282 -0.975) 1.019 5.201 ( 0.095 0.282 0.975) 1.019 5.251 ( 0.840 0.229 -1.740) 1.945 5.251 ( -0.840 0.229 1.740) 1.945 5.353 ( -1.105 -2.093 -1.613) 2.864 5.353 ( 1.105 -2.093 1.613) 2.864 5.391 ( 0.085 -0.211 -2.610) 2.620 5.391 ( -0.085 -0.211 2.610) 2.620 5.538 ( 0.779 -0.909 -0.588) 1.333 5.538 ( -0.779 -0.909 0.588) 1.333 5.686 ( -1.656 1.435 -0.574) 2.265 5.686 ( 1.656 1.435 0.574) 2.265 5.735 ( -1.101 -0.339 -1.322) 1.754 5.735 ( 1.101 -0.339 1.322) 1.754 5.950 ( 0.016 -1.628 -0.571) 1.725 5.950 ( -0.016 -1.628 0.571) 1.725 8.256 ( 0.145 0.082 -0.451) 0.481 8.256 ( -0.145 0.082 0.451) 0.481 8.508 ( -0.443 -0.027 0.021) 0.444 8.508 ( 0.443 -0.027 -0.021) 0.444 8.526 ( 0.401 0.217 -0.689) 0.826 8.526 ( -0.401 0.217 0.689) 0.826 8.778 ( -0.388 1.345 -0.806) 1.615 8.778 ( 0.388 1.345 0.806) 1.615 9.103 ( 0.548 0.026 -0.400) 0.679 9.103 ( -0.548 0.026 0.400) 0.679 9.176 ( 0.868 -0.588 -1.153) 1.558 9.176 ( -0.868 -0.588 1.153) 1.558 9.375 ( -0.855 0.109 -0.210) 0.887 9.375 ( 0.855 0.109 0.210) 0.887 9.424 ( -1.911 1.183 -0.337) 2.273 9.424 ( 1.911 1.183 0.337) 2.273 9.523 ( -0.663 0.916 -0.998) 1.508 9.523 ( 0.663 0.916 0.998) 1.508 9.647 ( 0.138 -0.186 -0.620) 0.662 9.647 ( -0.138 -0.186 0.620) 0.662 9.714 ( -0.242 -2.938 -2.743) 4.027 9.714 ( 0.242 -2.938 2.743) 4.027 9.878 ( -0.842 -1.834 -1.544) 2.541 9.878 ( 0.842 -1.834 1.544) 2.541======================= Grid point 77 (36/40) =======================q-point: ( 0.25 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.870 ( 0.080 2.813 -6.768) 7.330 0.976 ( 0.174 2.094 -3.467) 4.054 1.049 ( 0.013 5.952 -2.653) 6.516 1.097 ( -0.492 11.053 9.367) 14.497 1.186 ( -7.587 3.101 1.612) 8.353 1.287 ( -3.025 2.160 -0.261) 3.726 1.324 ( -3.468 1.416 -0.392) 3.767 1.366 ( -0.800 0.967 1.326) 1.825 1.387 ( 0.100 3.421 -1.223) 3.634 1.423 ( -1.110 0.066 0.080) 1.115 1.503 ( 0.447 3.413 -2.047) 4.005 1.552 ( -3.826 -2.712 -4.927) 6.802 1.659 ( 3.196 -1.509 5.159) 6.253 1.676 ( 3.440 0.525 3.130) 4.680 1.722 ( -0.369 -5.344 1.806) 5.653 1.786 ( -2.678 -4.126 -1.440) 5.126 1.848 ( 5.154 10.518 -6.251) 13.276 1.917 ( 2.971 -1.419 -0.001) 3.292 1.966 ( -0.886 -2.265 0.487) 2.481 2.016 ( 0.183 -0.762 -1.858) 2.017 2.064 ( -0.001 -0.908 1.338) 1.618 2.097 ( 2.670 2.310 2.443) 4.293 2.136 ( -0.291 3.811 0.477) 3.852 2.159 ( -1.268 2.787 2.444) 3.918 2.162 ( -0.994 3.783 -1.317) 4.128 2.245 ( 0.368 0.801 0.364) 0.953 2.250 ( -2.608 1.325 2.472) 3.830 2.307 ( -1.024 3.975 -2.684) 4.904 2.398 ( -0.454 1.089 2.113) 2.420 2.425 ( -1.964 -0.232 -0.145) 1.983 2.477 ( -2.507 -1.931 -0.816) 3.269 2.485 ( -0.253 -1.288 -1.955) 2.355 2.581 ( 2.074 0.920 0.798) 2.405 2.654 ( 1.010 0.010 2.444) 2.644 2.755 ( -0.427 -1.543 -1.306) 2.066 2.809 ( -2.083 -0.382 -0.609) 2.204 2.867 ( 2.402 -1.944 2.105) 3.739 2.919 ( 2.308 -1.857 -2.033) 3.593 2.991 ( -0.489 2.424 2.740) 3.691 3.004 ( 2.393 -4.819 -0.803) 5.440 3.036 ( 0.595 -2.395 1.060) 2.685 3.070 ( 2.016 2.111 -0.095) 2.921 3.143 ( -0.314 0.244 -3.108) 3.133 3.178 ( -1.366 -0.624 -1.063) 1.840 3.219 ( 1.720 -2.369 2.719) 3.996 3.254 ( 0.291 -3.447 -0.935) 3.583 3.301 ( 0.687 -2.229 0.834) 2.477 3.395 ( -0.648 -2.966 -1.721) 3.490 3.425 ( -1.996 -3.483 1.720) 4.367 3.478 ( 0.447 -2.385 0.011) 2.427 3.537 ( 0.266 0.509 1.100) 1.241 3.604 ( 0.906 -0.300 -2.253) 2.447 3.703 ( -2.535 0.735 -0.903) 2.789 3.736 ( -3.006 4.256 -3.046) 6.035 3.772 ( -2.097 2.026 2.571) 3.887 3.800 ( 0.300 -0.293 -1.045) 1.126 3.880 ( 1.385 -1.098 1.503) 2.320 3.955 ( 1.700 -1.661 2.045) 3.135 4.022 ( 2.816 -2.524 0.110) 3.783 4.034 ( 0.201 -2.578 0.063) 2.587 4.086 ( -1.868 -0.476 -0.869) 2.114 4.153 ( 0.614 -2.154 -0.897) 2.413 4.273 ( 0.596 0.372 -0.434) 0.826 4.290 ( 0.097 -0.241 -0.223) 0.342 4.324 ( -0.178 1.902 1.101) 2.205 4.345 ( 0.140 1.790 -0.964) 2.038 4.373 ( 1.256 -0.112 0.340) 1.306 4.399 ( 0.712 1.752 0.384) 1.930 4.481 ( 1.260 -0.396 -0.299) 1.354 4.508 ( 0.150 -0.566 0.399) 0.709 4.542 ( -0.352 0.394 0.057) 0.531 4.553 ( -0.655 0.610 -0.497) 1.024 4.613 ( -0.426 0.847 -0.245) 0.979 4.633 ( -0.281 0.182 0.548) 0.642 4.766 ( 0.136 -1.209 -0.688) 1.397 4.775 ( -0.512 -0.927 1.147) 1.561 4.963 ( 0.678 2.396 -0.221) 2.500 4.988 ( 0.852 2.158 0.714) 2.427 5.123 ( -0.441 1.020 -2.149) 2.419 5.181 ( 0.112 0.248 0.065) 0.280 5.191 ( -0.738 -0.236 -0.646) 1.008 5.212 ( -1.466 -0.460 1.269) 1.993 5.237 ( 0.528 1.404 -0.082) 1.502 5.264 ( -0.866 -0.514 1.788) 2.052 5.330 ( 0.982 -0.378 -0.122) 1.060 5.369 ( 0.248 -0.071 -2.381) 2.395 5.395 ( -0.017 -0.888 1.825) 2.030 5.410 ( 0.755 -1.357 1.378) 2.076 5.532 ( -0.019 -0.634 0.385) 0.742 5.548 ( 0.382 -1.145 -0.699) 1.395 5.654 ( -0.896 1.114 -0.191) 1.442 5.695 ( -1.506 -0.347 -1.655) 2.264 5.723 ( 1.397 1.116 0.454) 1.845 5.755 ( 0.176 0.059 0.635) 0.662 5.947 ( 0.137 -1.541 -0.465) 1.616 5.951 ( -0.086 -1.558 0.226) 1.577 8.251 ( -0.294 0.062 -0.044) 0.304 8.253 ( -0.273 -0.092 -0.080) 0.299 8.508 ( 0.357 0.541 0.237) 0.690 8.521 ( -0.380 0.341 0.460) 0.687 8.525 ( 0.656 0.122 -0.284) 0.726 8.529 ( 0.461 0.030 -0.356) 0.583 8.772 ( 0.430 1.669 -0.548) 1.809 8.789 ( -0.044 1.492 0.850) 1.718 9.099 ( -0.036 0.295 0.678) 0.740 9.116 ( 0.893 -0.219 -0.190) 0.939 9.144 ( -1.548 -0.109 -0.708) 1.706 9.170 ( -0.890 -0.595 -1.722) 2.028 9.373 ( 0.417 0.092 0.874) 0.973 9.399 ( -0.463 0.526 -0.476) 0.847 9.401 ( 1.474 -0.666 0.251) 1.636 9.471 ( 0.949 -0.128 -0.445) 1.056 9.509 ( 1.011 0.325 -0.270) 1.096 9.541 ( 0.598 0.290 0.715) 0.977 9.618 ( -1.686 -0.775 -0.047) 1.856 9.640 ( -1.892 -0.007 -0.454) 1.946 9.686 ( 0.246 -3.127 -0.375) 3.159 9.734 ( -0.484 -2.587 0.126) 2.635 9.863 ( 0.352 -0.347 0.445) 0.665 9.900 ( 0.008 -0.774 0.832) 1.137======================= Grid point 78 (37/40) =======================q-point: (-0.50 0.29 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( -4.830 -2.400 1.260) 5.539 0.901 ( 4.830 -2.400 -1.260) 5.539 1.071 ( 4.795 5.098 -6.070) 9.264 1.071 ( -4.795 5.098 6.070) 9.264 1.208 ( -3.537 6.073 -6.306) 9.442 1.208 ( 3.537 6.073 6.306) 9.442 1.296 ( -1.513 3.244 -4.022) 5.385 1.296 ( 1.513 3.244 4.022) 5.385 1.424 ( -2.001 1.822 -2.087) 3.417 1.424 ( 2.001 1.822 2.087) 3.417 1.468 ( -1.939 0.145 -2.943) 3.527 1.468 ( 1.939 0.145 2.943) 3.527 1.712 ( -0.067 -0.702 -2.077) 2.193 1.712 ( 0.067 -0.702 2.077) 2.193 1.744 ( -0.376 -1.770 -2.077) 2.755 1.744 ( 0.376 -1.770 2.077) 2.755 1.921 ( 0.281 -2.317 -2.427) 3.367 1.921 ( -0.281 -2.317 2.427) 3.367 2.002 ( -1.318 4.398 -3.906) 6.028 2.002 ( 1.318 4.398 3.906) 6.028 2.071 ( 0.879 -0.105 -1.342) 1.607 2.071 ( -0.879 -0.105 1.342) 1.607 2.155 ( 0.111 2.624 -0.479) 2.670 2.155 ( -0.111 2.624 0.479) 2.670 2.212 ( -4.724 3.939 -1.502) 6.331 2.212 ( 4.724 3.939 1.502) 6.331 2.255 ( -0.280 1.506 -3.142) 3.495 2.255 ( 0.280 1.506 3.142) 3.495 2.403 ( 0.014 0.870 -1.356) 1.611 2.403 ( -0.014 0.870 1.356) 1.611 2.453 ( -0.582 -2.689 -2.658) 3.825 2.453 ( 0.582 -2.689 2.658) 3.825 2.639 ( -1.324 0.293 -1.018) 1.695 2.639 ( 1.324 0.293 1.018) 1.695 2.777 ( 0.330 -1.217 -2.438) 2.744 2.777 ( -0.330 -1.217 2.438) 2.744 2.926 ( -1.506 -1.064 -2.193) 2.865 2.926 ( 1.506 -1.064 2.193) 2.865 3.000 ( -1.382 -2.327 -2.143) 3.452 3.000 ( 1.382 -2.327 2.143) 3.452 3.056 ( 0.402 -0.606 -1.174) 1.381 3.056 ( -0.402 -0.606 1.174) 1.381 3.148 ( 1.239 -0.140 -0.617) 1.392 3.148 ( -1.239 -0.140 0.617) 1.392 3.257 ( -0.683 -2.847 -1.647) 3.359 3.257 ( 0.683 -2.847 1.647) 3.359 3.354 ( -1.216 -3.130 -1.414) 3.644 3.354 ( 1.216 -3.130 1.414) 3.644 3.436 ( -1.519 -2.337 -0.397) 2.815 3.436 ( 1.519 -2.337 0.397) 2.815 3.597 ( -3.377 1.543 -1.671) 4.072 3.597 ( 3.377 1.543 1.671) 4.072 3.642 ( -1.293 3.082 -1.697) 3.748 3.642 ( 1.293 3.082 1.697) 3.748 3.789 ( -0.105 1.577 -1.987) 2.539 3.789 ( 0.105 1.577 1.987) 2.539 3.962 ( -3.695 -2.244 -1.111) 4.464 3.962 ( 3.695 -2.244 1.111) 4.464 4.028 ( -2.259 -2.892 -2.717) 4.566 4.028 ( 2.259 -2.892 2.717) 4.566 4.115 ( -2.060 -1.607 -2.504) 3.619 4.115 ( 2.060 -1.607 2.504) 3.619 4.284 ( 0.304 -0.093 -0.406) 0.515 4.284 ( -0.304 -0.093 0.406) 0.515 4.334 ( -0.305 1.202 -0.906) 1.536 4.334 ( 0.305 1.202 0.906) 1.536 4.404 ( -0.455 1.649 -0.334) 1.742 4.404 ( 0.455 1.649 0.334) 1.742 4.496 ( -0.220 0.016 -0.295) 0.368 4.496 ( 0.220 0.016 0.295) 0.368 4.544 ( -0.109 -0.489 -0.237) 0.554 4.544 ( 0.109 -0.489 0.237) 0.554 4.619 ( 0.902 0.881 -2.476) 2.778 4.619 ( -0.902 0.881 2.476) 2.778 4.770 ( 0.545 -0.848 -0.735) 1.247 4.770 ( -0.545 -0.848 0.735) 1.247 4.987 ( -0.791 2.764 -0.183) 2.881 4.987 ( 0.791 2.764 0.183) 2.881 5.141 ( -1.601 -0.516 -0.268) 1.704 5.141 ( 1.601 -0.516 0.268) 1.704 5.190 ( 0.142 -0.150 -0.165) 0.265 5.190 ( -0.142 -0.150 0.165) 0.265 5.251 ( 1.156 0.680 -1.982) 2.393 5.251 ( -1.156 0.680 1.982) 2.393 5.357 ( -0.304 -0.257 -1.728) 1.774 5.357 ( 0.304 -0.257 1.728) 1.774 5.413 ( -0.718 -0.411 -0.974) 1.278 5.413 ( 0.718 -0.411 0.974) 1.278 5.541 ( -0.472 -1.206 -0.480) 1.381 5.541 ( 0.472 -1.206 0.480) 1.381 5.658 ( -0.866 0.324 -1.115) 1.449 5.658 ( 0.866 0.324 1.115) 1.449 5.749 ( -0.603 0.576 -0.208) 0.860 5.749 ( 0.603 0.576 0.208) 0.860 5.949 ( 0.156 -1.479 -0.414) 1.544 5.949 ( -0.156 -1.479 0.414) 1.544 8.248 ( 0.100 -0.114 -0.340) 0.373 8.248 ( -0.100 -0.114 0.340) 0.373 8.515 ( 0.149 0.598 -0.604) 0.863 8.515 ( -0.149 0.598 0.604) 0.863 8.533 ( 0.113 0.250 -0.342) 0.439 8.533 ( -0.113 0.250 0.342) 0.439 8.784 ( 0.751 1.814 -0.724) 2.092 8.784 ( -0.751 1.814 0.724) 2.092 9.112 ( -0.597 0.471 -1.319) 1.522 9.112 ( 0.597 0.471 1.319) 1.522 9.139 ( -1.040 -0.733 -0.718) 1.461 9.139 ( 1.040 -0.733 0.718) 1.461 9.387 ( -0.250 -0.028 -1.001) 1.032 9.387 ( 0.250 -0.028 1.001) 1.032 9.443 ( -2.120 -0.910 -0.367) 2.335 9.443 ( 2.120 -0.910 0.367) 2.335 9.549 ( -0.324 -1.463 -0.473) 1.572 9.549 ( 0.324 -1.463 0.473) 1.572 9.598 ( -0.035 -0.056 -0.054) 0.085 9.598 ( 0.035 -0.056 0.054) 0.085 9.707 ( 0.309 -2.235 -2.383) 3.282 9.707 ( -0.309 -2.235 2.383) 3.282 9.888 ( 0.007 0.451 -1.982) 2.033 9.888 ( -0.007 0.451 1.982) 2.033======================= Grid point 81 (38/40) =======================q-point: ( 0.00 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( 0.921 3.723 -4.191) 5.681 1.042 ( -0.921 3.723 4.191) 5.681 1.254 ( -2.079 0.172 -2.607) 3.339 1.254 ( 2.079 0.172 2.607) 3.339 1.292 ( -0.579 5.959 -5.745) 8.297 1.292 ( 0.579 5.959 5.745) 8.297 1.394 ( -2.843 0.189 -1.175) 3.082 1.394 ( 2.843 0.189 1.175) 3.082 1.465 ( -0.169 3.041 -2.265) 3.795 1.465 ( 0.169 3.041 2.265) 3.795 1.529 ( -1.799 -0.305 -3.404) 3.862 1.529 ( 1.799 -0.305 3.404) 3.862 1.597 ( 4.100 -0.663 -3.508) 5.437 1.597 ( -4.100 -0.663 3.508) 5.437 1.634 ( 5.493 -6.839 -4.236) 9.741 1.634 ( -5.493 -6.839 4.236) 9.741 1.880 ( -0.901 -0.772 -1.304) 1.763 1.880 ( 0.901 -0.772 1.304) 1.763 1.967 ( -0.969 -2.261 -1.894) 3.105 1.967 ( 0.969 -2.261 1.894) 3.105 2.121 ( -0.528 4.798 -2.183) 5.297 2.121 ( 0.528 4.798 2.183) 5.297 2.206 ( 0.613 0.704 -0.705) 1.170 2.206 ( -0.613 0.704 0.705) 1.170 2.250 ( -0.071 2.438 -1.195) 2.716 2.250 ( 0.071 2.438 1.195) 2.716 2.362 ( 2.475 2.573 -1.946) 4.066 2.362 ( -2.475 2.573 1.946) 4.066 2.422 ( 1.107 -0.694 -0.963) 1.623 2.422 ( -1.107 -0.694 0.963) 1.623 2.478 ( -0.088 -0.398 -0.281) 0.495 2.478 ( 0.088 -0.398 0.281) 0.495 2.624 ( -0.225 2.015 -3.290) 3.865 2.624 ( 0.225 2.015 3.290) 3.865 2.743 ( -1.647 -4.091 -3.094) 5.387 2.743 ( 1.647 -4.091 3.094) 5.387 2.897 ( 0.890 0.892 -0.710) 1.447 2.897 ( -0.890 0.892 0.710) 1.447 2.929 ( -0.707 -1.461 -0.213) 1.637 2.929 ( 0.707 -1.461 0.213) 1.637 3.005 ( -0.381 -0.178 -0.250) 0.489 3.005 ( 0.381 -0.178 0.250) 0.489 3.178 ( 0.333 0.104 -1.263) 1.311 3.178 ( -0.333 0.104 1.263) 1.311 3.211 ( 1.049 1.615 -2.678) 3.299 3.211 ( -1.049 1.615 2.678) 3.299 3.311 ( 0.821 -4.208 -1.025) 4.408 3.311 ( -0.821 -4.208 1.025) 4.408 3.399 ( -0.855 -1.263 -1.153) 1.913 3.399 ( 0.855 -1.263 1.153) 1.913 3.578 ( -1.187 0.763 -0.456) 1.483 3.578 ( 1.187 0.763 0.456) 1.483 3.723 ( -1.129 -1.267 -1.369) 2.181 3.723 ( 1.129 -1.267 1.369) 2.181 3.802 ( -0.604 0.226 -1.465) 1.600 3.802 ( 0.604 0.226 1.465) 1.600 3.933 ( 1.726 -0.319 -1.251) 2.155 3.933 ( -1.726 -0.319 1.251) 2.155 3.957 ( -1.405 -0.417 -0.834) 1.686 3.957 ( 1.405 -0.417 0.834) 1.686 4.117 ( -0.401 -0.110 -0.292) 0.508 4.117 ( 0.401 -0.110 0.292) 0.508 4.285 ( -0.254 0.222 -0.151) 0.370 4.285 ( 0.254 0.222 0.151) 0.370 4.354 ( 0.363 0.331 -0.988) 1.104 4.354 ( -0.363 0.331 0.988) 1.104 4.396 ( -0.475 1.212 -0.944) 1.608 4.396 ( 0.475 1.212 0.944) 1.608 4.478 ( -0.573 -0.226 -0.762) 0.980 4.478 ( 0.573 -0.226 0.762) 0.980 4.570 ( -0.230 0.162 -0.377) 0.471 4.570 ( 0.230 0.162 0.377) 0.471 4.626 ( 0.364 -0.021 -0.763) 0.845 4.626 ( -0.364 -0.021 0.763) 0.845 4.751 ( -0.119 -0.662 -0.398) 0.781 4.751 ( 0.119 -0.662 0.398) 0.781 4.990 ( -0.279 0.629 -0.060) 0.691 4.990 ( 0.279 0.629 0.060) 0.691 5.182 ( -0.317 0.523 -0.511) 0.797 5.182 ( 0.317 0.523 0.511) 0.797 5.208 ( -0.490 0.489 -1.140) 1.334 5.208 ( 0.490 0.489 1.140) 1.334 5.255 ( 0.161 0.144 -0.981) 1.005 5.255 ( -0.161 0.144 0.981) 1.005 5.322 ( -0.684 -0.934 -0.843) 1.433 5.322 ( 0.684 -0.934 0.843) 1.433 5.389 ( 0.154 -0.056 -1.083) 1.095 5.389 ( -0.154 -0.056 1.083) 1.095 5.527 ( 0.272 -0.298 -0.226) 0.463 5.527 ( -0.272 -0.298 0.226) 0.463 5.709 ( -1.426 0.942 -0.610) 1.814 5.709 ( 1.426 0.942 0.610) 1.814 5.727 ( -1.223 -0.453 -0.918) 1.595 5.727 ( 1.223 -0.453 0.918) 1.595 5.923 ( -0.017 -0.903 -0.252) 0.938 5.923 ( 0.017 -0.903 0.252) 0.938 8.257 ( 0.053 0.031 -0.165) 0.176 8.257 ( -0.053 0.031 0.165) 0.176 8.507 ( -0.155 -0.035 -0.017) 0.159 8.507 ( 0.155 -0.035 0.017) 0.159 8.529 ( 0.148 0.094 -0.272) 0.324 8.529 ( -0.148 0.094 0.272) 0.324 8.800 ( -0.175 0.765 -0.375) 0.869 8.800 ( 0.175 0.765 0.375) 0.869 9.100 ( 0.104 -0.211 -0.186) 0.300 9.100 ( -0.104 -0.211 0.186) 0.300 9.165 ( 0.194 -0.388 -0.341) 0.552 9.165 ( -0.194 -0.388 0.341) 0.552 9.374 ( -0.120 -0.136 -0.174) 0.251 9.374 ( 0.120 -0.136 0.174) 0.251 9.445 ( -1.085 0.740 0.001) 1.313 9.445 ( 1.085 0.740 -0.001) 1.313 9.537 ( -0.279 0.533 -0.478) 0.769 9.537 ( 0.279 0.533 0.478) 0.769 9.630 ( 0.017 -1.186 -0.616) 1.337 9.630 ( -0.017 -1.186 0.616) 1.337 9.682 ( -1.055 -0.403 -0.484) 1.228 9.682 ( 1.055 -0.403 0.484) 1.228 9.854 ( -0.431 -0.658 -0.755) 1.090 9.854 ( 0.431 -0.658 0.755) 1.090======================= Grid point 83 (39/40) =======================q-point: ( 0.25 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.931 ( -6.558 3.265 -3.261) 8.019 0.981 ( -6.529 -1.419 -1.583) 6.866 1.172 ( -1.035 5.859 -5.524) 8.119 1.230 ( -2.992 1.013 -3.096) 4.422 1.275 ( -0.800 1.012 1.310) 1.839 1.316 ( 0.024 -0.024 1.805) 1.805 1.322 ( -3.139 4.920 3.664) 6.891 1.387 ( -1.576 2.330 0.838) 2.935 1.431 ( -1.046 0.724 -0.193) 1.287 1.465 ( -1.418 2.079 0.410) 2.550 1.500 ( -0.161 -1.101 -0.139) 1.122 1.566 ( -2.270 2.009 -0.001) 3.031 1.603 ( 0.395 -4.770 3.974) 6.221 1.621 ( 2.281 -5.314 3.005) 6.517 1.696 ( 4.458 2.440 -0.191) 5.086 1.747 ( 5.675 1.052 -1.429) 5.946 1.805 ( -1.771 -3.823 -2.114) 4.714 1.860 ( -0.431 -5.476 -0.868) 5.562 2.010 ( 0.366 0.880 2.794) 2.952 2.029 ( 0.167 -1.682 3.224) 3.641 2.111 ( 2.882 6.500 -2.162) 7.432 2.144 ( 1.490 2.280 1.156) 2.959 2.191 ( -1.231 1.653 -0.599) 2.147 2.211 ( -0.865 0.964 -0.732) 1.488 2.234 ( 0.117 3.031 -0.264) 3.044 2.260 ( 0.746 0.186 1.260) 1.476 2.283 ( -3.104 2.891 0.716) 4.302 2.357 ( -0.959 -3.695 -0.311) 3.830 2.404 ( -2.049 2.165 -1.647) 3.405 2.415 ( -1.848 0.312 -2.327) 2.988 2.447 ( -1.142 2.463 0.485) 2.758 2.493 ( 0.541 -1.331 -1.358) 1.977 2.607 ( 0.399 1.634 -1.681) 2.378 2.644 ( 0.293 -1.701 0.689) 1.859 2.745 ( 2.708 1.517 1.104) 3.295 2.811 ( -0.590 -0.431 0.538) 0.907 2.823 ( 0.385 -2.153 2.129) 3.052 2.863 ( -0.621 -3.458 -1.356) 3.766 2.934 ( 0.966 -0.350 -1.469) 1.793 2.963 ( 1.647 -2.775 -0.792) 3.323 3.067 ( 2.380 3.615 0.981) 4.438 3.110 ( 4.045 0.272 1.813) 4.441 3.141 ( -2.939 0.444 0.356) 2.993 3.176 ( -3.709 -2.891 0.740) 4.760 3.208 ( 1.968 2.353 -3.020) 4.305 3.215 ( 0.872 0.546 1.606) 1.908 3.258 ( 0.450 -1.447 0.644) 1.646 3.307 ( -1.016 -4.930 -1.852) 5.363 3.385 ( -0.620 -0.761 0.357) 1.045 3.411 ( -0.743 -3.248 0.634) 3.392 3.568 ( 1.318 1.660 -0.442) 2.166 3.594 ( 0.630 -0.976 -0.386) 1.225 3.725 ( 0.415 1.388 -0.024) 1.449 3.749 ( 1.682 -1.204 -1.292) 2.439 3.798 ( 0.051 1.037 3.252) 3.414 3.819 ( -2.298 0.023 1.111) 2.553 3.901 ( 0.233 2.213 0.151) 2.231 3.929 ( -0.424 0.630 0.450) 0.882 3.963 ( 0.915 -2.084 -1.974) 3.013 3.994 ( 0.992 -2.667 -1.772) 3.352 4.088 ( -1.221 0.649 -0.385) 1.435 4.111 ( -0.462 -1.824 -0.045) 1.882 4.280 ( 0.075 0.254 -0.392) 0.473 4.285 ( -0.152 -0.257 -0.215) 0.368 4.349 ( -0.337 0.711 0.903) 1.198 4.356 ( -0.638 -0.127 0.754) 0.996 4.405 ( 2.122 2.427 -0.586) 3.277 4.430 ( 1.679 0.607 0.172) 1.794 4.474 ( 0.766 0.207 -0.227) 0.825 4.494 ( 0.424 -1.053 0.420) 1.210 4.542 ( -1.630 0.009 -0.415) 1.682 4.550 ( -1.817 -0.707 -0.142) 1.955 4.629 ( 0.138 0.663 0.233) 0.716 4.636 ( 0.287 -0.039 0.203) 0.354 4.752 ( 0.275 -0.171 0.163) 0.362 4.758 ( 0.041 -0.695 0.797) 1.059 5.001 ( 1.213 1.361 0.212) 1.835 5.012 ( 1.544 0.297 0.236) 1.590 5.150 ( -1.722 1.731 -1.493) 2.862 5.180 ( -1.558 -1.076 -0.729) 2.029 5.186 ( -0.514 0.378 0.139) 0.653 5.197 ( -1.021 -0.804 0.245) 1.323 5.258 ( 0.471 0.595 -0.464) 0.889 5.262 ( -0.239 0.085 0.937) 0.971 5.335 ( 1.614 0.950 0.710) 2.003 5.358 ( 1.187 -1.122 -0.329) 1.666 5.385 ( 0.376 0.006 0.131) 0.398 5.392 ( 0.240 -0.623 1.131) 1.313 5.525 ( -0.115 -0.026 0.158) 0.197 5.531 ( 0.067 -0.618 -0.217) 0.659 5.674 ( -1.258 0.907 -0.511) 1.633 5.687 ( -1.434 -0.504 -1.059) 1.853 5.742 ( 0.982 0.791 0.503) 1.357 5.752 ( 0.605 -0.318 0.539) 0.870 5.923 ( 0.227 -0.684 -0.223) 0.754 5.926 ( 0.113 -0.906 0.130) 0.922 8.251 ( -0.406 0.021 -0.009) 0.406 8.252 ( -0.384 -0.032 -0.053) 0.389 8.518 ( 0.847 0.430 0.167) 0.965 8.524 ( 0.835 -0.205 0.035) 0.860 8.526 ( -0.018 0.216 0.198) 0.294 8.529 ( 0.112 -0.072 -0.251) 0.284 8.804 ( 0.669 1.301 -0.227) 1.480 8.812 ( 0.443 0.556 0.483) 0.860 9.102 ( 0.194 -0.008 0.391) 0.436 9.106 ( 0.424 -0.551 0.138) 0.709 9.145 ( -0.978 0.225 -1.141) 1.519 9.154 ( -0.817 -0.748 -1.436) 1.813 9.377 ( 0.378 0.370 0.717) 0.891 9.387 ( 0.916 -0.700 0.417) 1.226 9.419 ( -1.260 1.529 -0.150) 1.987 9.452 ( -0.766 -1.618 -0.120) 1.794 9.522 ( -0.517 0.929 -0.244) 1.091 9.539 ( -0.442 -0.619 0.178) 0.781 9.607 ( -0.981 -0.174 0.039) 0.997 9.618 ( -1.684 -1.442 -0.049) 2.218 9.667 ( 0.658 0.727 -0.852) 1.299 9.692 ( -0.017 -1.756 -1.151) 2.099 9.868 ( 1.328 0.709 1.178) 1.912 9.884 ( 1.080 -0.863 1.231) 1.851======================= Grid point 84 (40/40) =======================q-point: (-0.50 0.43 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( 0.787 -1.393 -1.220) 2.013 0.859 ( -0.787 -1.393 1.220) 2.013 1.163 ( 2.513 3.510 -2.422) 4.950 1.163 ( -2.513 3.510 2.422) 4.950 1.282 ( -0.875 1.335 -0.270) 1.619 1.282 ( 0.875 1.335 0.270) 1.619 1.359 ( -1.085 3.520 -2.957) 4.724 1.359 ( 1.085 3.520 2.957) 4.724 1.427 ( -1.427 -2.586 -0.340) 2.973 1.427 ( 1.427 -2.586 0.340) 2.973 1.519 ( -0.394 5.824 -2.901) 6.519 1.519 ( 0.394 5.824 2.901) 6.519 1.639 ( -0.808 -5.648 -3.091) 6.489 1.639 ( 0.808 -5.648 3.091) 6.489 1.760 ( -1.432 1.875 -1.535) 2.815 1.760 ( 1.432 1.875 1.535) 2.815 1.833 ( -1.756 -4.080 -0.777) 4.509 1.833 ( 1.756 -4.080 0.777) 4.509 2.019 ( -0.080 -0.791 -1.399) 1.609 2.019 ( 0.080 -0.791 1.399) 1.609 2.155 ( 1.116 4.201 -2.126) 4.839 2.155 ( -1.116 4.201 2.126) 4.839 2.192 ( -0.490 0.996 -1.068) 1.541 2.192 ( 0.490 0.996 1.068) 1.541 2.271 ( -1.982 2.235 -1.739) 3.457 2.271 ( 1.982 2.235 1.739) 3.457 2.295 ( -3.330 0.930 -1.784) 3.890 2.295 ( 3.330 0.930 1.784) 3.890 2.360 ( 0.497 -2.038 -1.519) 2.590 2.360 ( -0.497 -2.038 1.519) 2.590 2.470 ( -1.252 2.018 -1.960) 3.079 2.470 ( 1.252 2.018 1.960) 3.079 2.628 ( -1.324 -1.420 -0.143) 1.947 2.628 ( 1.324 -1.420 0.143) 1.947 2.787 ( 0.120 2.438 -0.830) 2.578 2.787 ( -0.120 2.438 0.830) 2.578 2.872 ( -0.939 -4.206 -1.007) 4.425 2.872 ( 0.939 -4.206 1.007) 4.425 2.952 ( -0.578 -0.673 -1.570) 1.803 2.952 ( 0.578 -0.673 1.570) 1.803 3.080 ( -0.857 0.376 -1.132) 1.469 3.080 ( 0.857 0.376 1.132) 1.469 3.151 ( 1.047 1.465 -0.912) 2.019 3.151 ( -1.047 1.465 0.912) 2.019 3.232 ( 1.608 -0.376 -1.759) 2.413 3.232 ( -1.608 -0.376 1.759) 2.413 3.282 ( -0.332 -2.952 -0.857) 3.091 3.282 ( 0.332 -2.952 0.857) 3.091 3.390 ( -0.559 -2.368 -0.446) 2.474 3.390 ( 0.559 -2.368 0.446) 2.474 3.611 ( -1.050 0.222 -0.487) 1.179 3.611 ( 1.050 0.222 0.487) 1.179 3.713 ( -1.156 3.122 -2.413) 4.112 3.713 ( 1.156 3.122 2.413) 4.112 3.818 ( -0.215 1.166 -0.584) 1.322 3.818 ( 0.215 1.166 0.584) 1.322 3.933 ( -1.641 -0.630 -1.570) 2.356 3.933 ( 1.641 -0.630 1.570) 2.356 3.956 ( -1.948 -3.491 -3.223) 5.135 3.956 ( 1.948 -3.491 3.223) 5.135 4.097 ( -1.067 -0.398 -0.312) 1.181 4.097 ( 1.067 -0.398 0.312) 1.181 4.281 ( 0.183 -0.155 -0.214) 0.322 4.281 ( -0.183 -0.155 0.214) 0.322 4.351 ( -0.113 0.469 -0.185) 0.516 4.351 ( 0.113 0.469 0.185) 0.516 4.441 ( -0.915 1.820 -0.044) 2.038 4.441 ( 0.915 1.820 0.044) 2.038 4.498 ( -0.718 0.182 -0.080) 0.745 4.498 ( 0.718 0.182 0.080) 0.745 4.520 ( -0.371 -1.603 -0.067) 1.647 4.520 ( 0.371 -1.603 0.067) 1.647 4.634 ( 0.277 0.414 -0.897) 1.026 4.634 ( -0.277 0.414 0.897) 1.026 4.759 ( 0.229 -0.237 -0.173) 0.372 4.759 ( -0.229 -0.237 0.173) 0.372 5.029 ( -0.514 1.319 -0.356) 1.459 5.029 ( 0.514 1.319 0.356) 1.459 5.132 ( -0.785 -0.339 -0.199) 0.877 5.132 ( 0.785 -0.339 0.199) 0.877 5.187 ( -0.086 -0.103 -0.104) 0.169 5.187 ( 0.086 -0.103 0.104) 0.169 5.261 ( 0.354 0.300 -0.940) 1.048 5.261 ( -0.354 0.300 0.940) 1.048 5.357 ( -0.133 0.125 -0.985) 1.002 5.357 ( 0.133 0.125 0.985) 1.002 5.406 ( -0.374 -0.252 -0.214) 0.499 5.406 ( 0.374 -0.252 0.214) 0.499 5.525 ( -0.223 -0.457 -0.145) 0.529 5.525 ( 0.223 -0.457 0.145) 0.529 5.663 ( -0.262 0.180 -0.411) 0.519 5.663 ( 0.262 0.180 0.411) 0.519 5.757 ( -0.219 0.215 -0.119) 0.329 5.757 ( 0.219 0.215 0.119) 0.329 5.927 ( 0.132 -0.698 -0.128) 0.722 5.927 ( -0.132 -0.698 0.128) 0.722 8.247 ( 0.028 -0.042 -0.095) 0.107 8.247 ( -0.028 -0.042 0.095) 0.107 8.523 ( 0.057 0.195 -0.240) 0.314 8.523 ( -0.057 0.195 0.240) 0.314 8.537 ( -0.012 0.118 -0.157) 0.197 8.537 ( 0.012 0.118 0.157) 0.197 8.816 ( 0.404 1.118 -0.363) 1.243 8.816 ( -0.404 1.118 0.363) 1.243 9.112 ( -0.098 -0.409 -0.722) 0.836 9.112 ( 0.098 -0.409 0.722) 0.836 9.129 ( -0.484 -0.078 -0.271) 0.560 9.129 ( 0.484 -0.078 0.271) 0.560 9.394 ( -0.744 0.779 -0.706) 1.288 9.394 ( 0.744 0.779 0.706) 1.288 9.419 ( -1.672 -1.443 -0.368) 2.239 9.419 ( 1.672 -1.443 0.368) 2.239 9.525 ( -0.762 -0.734 0.070) 1.060 9.525 ( 0.762 -0.734 -0.070) 1.060 9.598 ( 0.098 -0.005 -0.203) 0.225 9.598 ( -0.098 -0.005 0.203) 0.225 9.680 ( -0.095 -0.665 -0.801) 1.046 9.680 ( 0.095 -0.665 0.801) 1.046 9.895 ( 0.010 0.242 -0.783) 0.820 9.895 ( -0.010 0.242 0.783) 0.820=================== 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 3/13440 10.0 34.417 47.555 44.747 0.000 -7.305 0.000 3/13440 20.0 5.561 7.025 7.474 0.000 -0.974 0.000 3/13440 30.0 2.356 2.949 3.154 0.000 -0.380 0.000 3/13440 40.0 1.414 1.763 1.881 0.000 -0.219 0.000 3/13440 50.0 0.999 1.241 1.322 0.000 -0.151 0.000 3/13440 60.0 0.772 0.957 1.017 0.000 -0.114 0.000 3/13440 70.0 0.630 0.780 0.828 0.000 -0.092 0.000 3/13440 80.0 0.533 0.659 0.699 0.000 -0.077 0.000 3/13440 90.0 0.463 0.572 0.607 0.000 -0.066 0.000 3/13440 100.0 0.410 0.506 0.536 0.000 -0.058 0.000 3/13440 110.0 0.368 0.455 0.481 0.000 -0.052 0.000 3/13440 120.0 0.335 0.413 0.437 0.000 -0.047 0.000 3/13440 130.0 0.307 0.379 0.400 0.000 -0.043 0.000 3/13440 140.0 0.283 0.350 0.370 0.000 -0.039 0.000 3/13440 150.0 0.263 0.325 0.343 0.000 -0.037 0.000 3/13440 160.0 0.246 0.304 0.321 0.000 -0.034 0.000 3/13440 170.0 0.231 0.285 0.301 0.000 -0.032 0.000 3/13440 180.0 0.218 0.269 0.284 0.000 -0.030 0.000 3/13440 190.0 0.206 0.255 0.268 0.000 -0.028 0.000 3/13440 200.0 0.196 0.242 0.255 0.000 -0.027 0.000 3/13440 210.0 0.186 0.230 0.242 0.000 -0.026 0.000 3/13440 220.0 0.178 0.219 0.231 0.000 -0.024 0.000 3/13440 230.0 0.170 0.210 0.221 0.000 -0.023 0.000 3/13440 240.0 0.163 0.201 0.212 0.000 -0.022 0.000 3/13440 250.0 0.156 0.193 0.203 0.000 -0.021 0.000 3/13440 260.0 0.150 0.185 0.195 0.000 -0.020 0.000 3/13440 270.0 0.145 0.179 0.188 0.000 -0.020 0.000 3/13440 280.0 0.139 0.172 0.181 0.000 -0.019 0.000 3/13440 290.0 0.135 0.166 0.175 0.000 -0.018 0.000 3/13440 300.0 0.130 0.161 0.169 0.000 -0.018 0.000 3/13440 310.0 0.126 0.156 0.164 0.000 -0.017 0.000 3/13440 320.0 0.122 0.151 0.158 0.000 -0.017 0.000 3/13440 330.0 0.118 0.146 0.154 0.000 -0.016 0.000 3/13440 340.0 0.115 0.142 0.149 0.000 -0.016 0.000 3/13440 350.0 0.112 0.138 0.145 0.000 -0.015 0.000 3/13440 360.0 0.108 0.134 0.141 0.000 -0.015 0.000 3/13440 370.0 0.106 0.130 0.137 0.000 -0.014 0.000 3/13440 380.0 0.103 0.127 0.133 0.000 -0.014 0.000 3/13440 390.0 0.100 0.124 0.130 0.000 -0.014 0.000 3/13440 400.0 0.098 0.121 0.127 0.000 -0.013 0.000 3/13440 410.0 0.095 0.118 0.124 0.000 -0.013 0.000 3/13440 420.0 0.093 0.115 0.121 0.000 -0.013 0.000 3/13440 430.0 0.091 0.112 0.118 0.000 -0.012 0.000 3/13440 440.0 0.089 0.110 0.115 0.000 -0.012 0.000 3/13440 450.0 0.087 0.107 0.113 0.000 -0.012 0.000 3/13440 460.0 0.085 0.105 0.110 0.000 -0.011 0.000 3/13440 470.0 0.083 0.103 0.108 0.000 -0.011 0.000 3/13440 480.0 0.082 0.101 0.106 0.000 -0.011 0.000 3/13440 490.0 0.080 0.099 0.104 0.000 -0.011 0.000 3/13440 500.0 0.078 0.097 0.102 0.000 -0.011 0.000 3/13440 510.0 0.077 0.095 0.100 0.000 -0.010 0.000 3/13440 520.0 0.075 0.093 0.098 0.000 -0.010 0.000 3/13440 530.0 0.074 0.091 0.096 0.000 -0.010 0.000 3/13440 540.0 0.073 0.090 0.094 0.000 -0.010 0.000 3/13440 550.0 0.071 0.088 0.092 0.000 -0.010 0.000 3/13440 560.0 0.070 0.087 0.091 0.000 -0.009 0.000 3/13440 570.0 0.069 0.085 0.089 0.000 -0.009 0.000 3/13440 580.0 0.068 0.084 0.088 0.000 -0.009 0.000 3/13440 590.0 0.066 0.082 0.086 0.000 -0.009 0.000 3/13440 600.0 0.065 0.081 0.085 0.000 -0.009 0.000 3/13440 610.0 0.064 0.080 0.083 0.000 -0.009 0.000 3/13440 620.0 0.063 0.078 0.082 0.000 -0.008 0.000 3/13440 630.0 0.062 0.077 0.081 0.000 -0.008 0.000 3/13440 640.0 0.061 0.076 0.080 0.000 -0.008 0.000 3/13440 650.0 0.060 0.075 0.078 0.000 -0.008 0.000 3/13440 660.0 0.059 0.074 0.077 0.000 -0.008 0.000 3/13440 670.0 0.059 0.073 0.076 0.000 -0.008 0.000 3/13440 680.0 0.058 0.071 0.075 0.000 -0.008 0.000 3/13440 690.0 0.057 0.070 0.074 0.000 -0.008 0.000 3/13440 700.0 0.056 0.069 0.073 0.000 -0.008 0.000 3/13440 710.0 0.055 0.068 0.072 0.000 -0.007 0.000 3/13440 720.0 0.055 0.068 0.071 0.000 -0.007 0.000 3/13440 730.0 0.054 0.067 0.070 0.000 -0.007 0.000 3/13440 740.0 0.053 0.066 0.069 0.000 -0.007 0.000 3/13440 750.0 0.052 0.065 0.068 0.000 -0.007 0.000 3/13440 760.0 0.052 0.064 0.067 0.000 -0.007 0.000 3/13440 770.0 0.051 0.063 0.066 0.000 -0.007 0.000 3/13440 780.0 0.050 0.062 0.065 0.000 -0.007 0.000 3/13440 790.0 0.050 0.062 0.065 0.000 -0.007 0.000 3/13440 800.0 0.049 0.061 0.064 0.000 -0.007 0.000 3/13440 810.0 0.049 0.060 0.063 0.000 -0.006 0.000 3/13440 820.0 0.048 0.059 0.062 0.000 -0.006 0.000 3/13440 830.0 0.047 0.059 0.061 0.000 -0.006 0.000 3/13440 840.0 0.047 0.058 0.061 0.000 -0.006 0.000 3/13440 850.0 0.046 0.057 0.060 0.000 -0.006 0.000 3/13440 860.0 0.046 0.057 0.059 0.000 -0.006 0.000 3/13440 870.0 0.045 0.056 0.059 0.000 -0.006 0.000 3/13440 880.0 0.045 0.055 0.058 0.000 -0.006 0.000 3/13440 890.0 0.044 0.055 0.057 0.000 -0.006 0.000 3/13440 900.0 0.044 0.054 0.057 0.000 -0.006 0.000 3/13440 910.0 0.043 0.054 0.056 0.000 -0.006 0.000 3/13440 920.0 0.043 0.053 0.055 0.000 -0.006 0.000 3/13440 930.0 0.042 0.052 0.055 0.000 -0.006 0.000 3/13440 940.0 0.042 0.052 0.054 0.000 -0.006 0.000 3/13440 950.0 0.041 0.051 0.054 0.000 -0.006 0.000 3/13440 960.0 0.041 0.051 0.053 0.000 -0.005 0.000 3/13440 970.0 0.041 0.050 0.053 0.000 -0.005 0.000 3/13440 980.0 0.040 0.050 0.052 0.000 -0.005 0.000 3/13440 990.0 0.040 0.049 0.052 0.000 -0.005 0.000 3/13440 1000.0 0.039 0.049 0.051 0.000 -0.005 0.000 3/13440Thermal conductivity related properties were written into "kappa-m474.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:45:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|