----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:59:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.424166380287439 0.000000000000000 0.000000000000000 b 0.000000000000000 7.194915149999999 0.000000000000000 c -7.228403047726097 0.000000000000000 13.118426563154976 Atomic positions (fractional): *1 Na 0.94146775042567 0.47195272867573 0.21550122730532 22.990 2 Na 0.05853224957433 0.97195272867573 0.28449877269468 22.990 3 Na 0.05853224957433 0.52804727132427 0.78449877269468 22.990 4 Na 0.94146775042567 0.02804727132428 0.71550122730532 22.990 *5 Na 0.72511836554979 0.50008676604903 0.39294652898161 22.990 6 Na 0.27488163445021 0.00008676604903 0.10705347101839 22.990 7 Na 0.27488163445021 0.49991323395097 0.60705347101839 22.990 8 Na 0.72511836554979 0.99991323395097 0.89294652898161 22.990 *9 Na 0.31730800431906 0.50061867814607 0.10103469405917 22.990 10 Na 0.68269199568094 0.00061867814607 0.39896530594083 22.990 11 Na 0.68269199568094 0.49938132185393 0.89896530594083 22.990 12 Na 0.31730800431906 0.99938132185393 0.60103469405917 22.990 *13 Ga 0.66819460384284 0.85725452564734 0.08292917078421 69.723 14 Ga 0.33180539615716 0.35725452564734 0.41707082921579 69.723 15 Ga 0.33180539615716 0.14274547435266 0.91707082921579 69.723 16 Ga 0.66819460384284 0.64274547435266 0.58292917078421 69.723 *17 Se 0.34744757696282 0.70065055127982 0.42784204037656 78.960 18 Se 0.65255242303718 0.20065055127982 0.07215795962344 78.960 19 Se 0.65255242303718 0.29934944872018 0.57215795962344 78.960 20 Se 0.34744757696282 0.79934944872018 0.92784204037656 78.960 *21 Se 0.34371007106618 0.25685201862231 0.26937539458041 78.960 22 Se 0.65628992893382 0.75685201862231 0.23062460541959 78.960 23 Se 0.65628992893382 0.74314798137769 0.73062460541959 78.960 24 Se 0.34371007106618 0.24314798137769 0.76937539458041 78.960 *25 Se 0.95481915147264 0.74021816033504 0.07232906524927 78.960 26 Se 0.04518084852736 0.24021816033504 0.42767093475073 78.960 27 Se 0.04518084852736 0.25978183966496 0.92767093475073 78.960 28 Se 0.95481915147264 0.75978183966496 0.57232906524927 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.424166380287439 0.000000000000000 0.000000000000000 b 0.000000000000000 7.194915149999999 0.000000000000000 c -7.228403047726097 0.000000000000000 13.118426563154976 Atomic positions (fractional): *1 Na 0.94146775042567 0.47195272867573 0.21550122730532 22.990 > 1 2 Na 0.05853224957433 0.97195272867573 0.28449877269468 22.990 > 2 3 Na 0.05853224957433 0.52804727132427 0.78449877269468 22.990 > 3 4 Na 0.94146775042567 0.02804727132428 0.71550122730532 22.990 > 4 *5 Na 0.72511836554979 0.50008676604903 0.39294652898161 22.990 > 5 6 Na 0.27488163445021 0.00008676604903 0.10705347101839 22.990 > 6 7 Na 0.27488163445021 0.49991323395097 0.60705347101839 22.990 > 7 8 Na 0.72511836554979 0.99991323395097 0.89294652898161 22.990 > 8 *9 Na 0.31730800431906 0.50061867814607 0.10103469405917 22.990 > 9 10 Na 0.68269199568094 0.00061867814607 0.39896530594083 22.990 > 10 11 Na 0.68269199568094 0.49938132185393 0.89896530594083 22.990 > 11 12 Na 0.31730800431906 0.99938132185393 0.60103469405917 22.990 > 12 *13 Ga 0.66819460384284 0.85725452564734 0.08292917078421 69.723 > 13 14 Ga 0.33180539615716 0.35725452564734 0.41707082921579 69.723 > 14 15 Ga 0.33180539615716 0.14274547435266 0.91707082921579 69.723 > 15 16 Ga 0.66819460384284 0.64274547435266 0.58292917078421 69.723 > 16 *17 Se 0.34744757696282 0.70065055127982 0.42784204037656 78.960 > 17 18 Se 0.65255242303718 0.20065055127982 0.07215795962344 78.960 > 18 19 Se 0.65255242303718 0.29934944872018 0.57215795962344 78.960 > 19 20 Se 0.34744757696282 0.79934944872018 0.92784204037656 78.960 > 20 *21 Se 0.34371007106618 0.25685201862231 0.26937539458041 78.960 > 21 22 Se 0.65628992893382 0.75685201862231 0.23062460541959 78.960 > 22 23 Se 0.65628992893382 0.74314798137769 0.73062460541959 78.960 > 23 24 Se 0.34371007106618 0.24314798137769 0.76937539458041 78.960 > 24 *25 Se 0.95481915147264 0.74021816033504 0.07232906524927 78.960 > 25 26 Se 0.04518084852736 0.24021816033504 0.42767093475073 78.960 > 26 27 Se 0.04518084852736 0.25978183966496 0.92767093475073 78.960 > 27 28 Se 0.95481915147264 0.75978183966496 0.57232906524927 78.960 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.848332760574879 0.000000000000000 0.000000000000000 b 0.000000000000000 14.389830299999998 0.000000000000000 c -7.228403047726097 0.000000000000000 13.118426563154976 Atomic positions (fractional): *1 Na 0.47073387521283 0.23597636433786 0.21550122730532 22.990 > 1 2 Na 0.97073387521283 0.23597636433786 0.21550122730532 22.990 > 1 3 Na 0.47073387521283 0.73597636433786 0.21550122730532 22.990 > 1 4 Na 0.97073387521283 0.73597636433786 0.21550122730532 22.990 > 1 5 Na 0.02926612478717 0.48597636433786 0.28449877269468 22.990 > 2 6 Na 0.52926612478717 0.48597636433786 0.28449877269468 22.990 > 2 7 Na 0.02926612478717 0.98597636433786 0.28449877269468 22.990 > 2 8 Na 0.52926612478717 0.98597636433786 0.28449877269468 22.990 > 2 9 Na 0.02926612478717 0.26402363566214 0.78449877269468 22.990 > 3 10 Na 0.52926612478717 0.26402363566214 0.78449877269468 22.990 > 3 11 Na 0.02926612478717 0.76402363566214 0.78449877269468 22.990 > 3 12 Na 0.52926612478717 0.76402363566214 0.78449877269468 22.990 > 3 13 Na 0.47073387521283 0.01402363566214 0.71550122730532 22.990 > 4 14 Na 0.97073387521283 0.01402363566214 0.71550122730532 22.990 > 4 15 Na 0.47073387521283 0.51402363566214 0.71550122730532 22.990 > 4 16 Na 0.97073387521283 0.51402363566214 0.71550122730532 22.990 > 4 *17 Na 0.36255918277490 0.25004338302451 0.39294652898161 22.990 > 5 18 Na 0.86255918277490 0.25004338302451 0.39294652898161 22.990 > 5 19 Na 0.36255918277490 0.75004338302451 0.39294652898161 22.990 > 5 20 Na 0.86255918277490 0.75004338302451 0.39294652898161 22.990 > 5 21 Na 0.13744081722510 0.00004338302451 0.10705347101839 22.990 > 6 22 Na 0.63744081722510 0.00004338302451 0.10705347101839 22.990 > 6 23 Na 0.13744081722510 0.50004338302451 0.10705347101839 22.990 > 6 24 Na 0.63744081722510 0.50004338302451 0.10705347101839 22.990 > 6 25 Na 0.13744081722510 0.24995661697549 0.60705347101839 22.990 > 7 26 Na 0.63744081722510 0.24995661697549 0.60705347101839 22.990 > 7 27 Na 0.13744081722510 0.74995661697549 0.60705347101839 22.990 > 7 28 Na 0.63744081722510 0.74995661697549 0.60705347101839 22.990 > 7 29 Na 0.36255918277490 0.49995661697549 0.89294652898161 22.990 > 8 30 Na 0.86255918277490 0.49995661697549 0.89294652898161 22.990 > 8 31 Na 0.36255918277490 0.99995661697549 0.89294652898161 22.990 > 8 32 Na 0.86255918277490 0.99995661697549 0.89294652898161 22.990 > 8 *33 Na 0.15865400215953 0.25030933907303 0.10103469405917 22.990 > 9 34 Na 0.65865400215953 0.25030933907303 0.10103469405917 22.990 > 9 35 Na 0.15865400215953 0.75030933907303 0.10103469405917 22.990 > 9 36 Na 0.65865400215953 0.75030933907303 0.10103469405917 22.990 > 9 37 Na 0.34134599784047 0.00030933907303 0.39896530594083 22.990 > 10 38 Na 0.84134599784047 0.00030933907303 0.39896530594083 22.990 > 10 39 Na 0.34134599784047 0.50030933907303 0.39896530594083 22.990 > 10 40 Na 0.84134599784047 0.50030933907303 0.39896530594083 22.990 > 10 41 Na 0.34134599784047 0.24969066092697 0.89896530594083 22.990 > 11 42 Na 0.84134599784047 0.24969066092697 0.89896530594083 22.990 > 11 43 Na 0.34134599784047 0.74969066092697 0.89896530594083 22.990 > 11 44 Na 0.84134599784047 0.74969066092697 0.89896530594083 22.990 > 11 45 Na 0.15865400215953 0.49969066092697 0.60103469405917 22.990 > 12 46 Na 0.65865400215953 0.49969066092697 0.60103469405917 22.990 > 12 47 Na 0.15865400215953 0.99969066092697 0.60103469405917 22.990 > 12 48 Na 0.65865400215953 0.99969066092697 0.60103469405917 22.990 > 12 *49 Ga 0.33409730192142 0.42862726282367 0.08292917078421 69.723 > 13 50 Ga 0.83409730192142 0.42862726282367 0.08292917078421 69.723 > 13 51 Ga 0.33409730192142 0.92862726282367 0.08292917078421 69.723 > 13 52 Ga 0.83409730192142 0.92862726282367 0.08292917078421 69.723 > 13 53 Ga 0.16590269807858 0.17862726282367 0.41707082921579 69.723 > 14 54 Ga 0.66590269807858 0.17862726282367 0.41707082921579 69.723 > 14 55 Ga 0.16590269807858 0.67862726282367 0.41707082921579 69.723 > 14 56 Ga 0.66590269807858 0.67862726282367 0.41707082921579 69.723 > 14 57 Ga 0.16590269807858 0.07137273717633 0.91707082921579 69.723 > 15 58 Ga 0.66590269807858 0.07137273717633 0.91707082921579 69.723 > 15 59 Ga 0.16590269807858 0.57137273717633 0.91707082921579 69.723 > 15 60 Ga 0.66590269807858 0.57137273717633 0.91707082921579 69.723 > 15 61 Ga 0.33409730192142 0.32137273717633 0.58292917078421 69.723 > 16 62 Ga 0.83409730192142 0.32137273717633 0.58292917078421 69.723 > 16 63 Ga 0.33409730192142 0.82137273717633 0.58292917078421 69.723 > 16 64 Ga 0.83409730192142 0.82137273717633 0.58292917078421 69.723 > 16 *65 Se 0.17372378848141 0.35032527563991 0.42784204037656 78.960 > 17 66 Se 0.67372378848141 0.35032527563991 0.42784204037656 78.960 > 17 67 Se 0.17372378848141 0.85032527563991 0.42784204037656 78.960 > 17 68 Se 0.67372378848141 0.85032527563991 0.42784204037656 78.960 > 17 69 Se 0.32627621151859 0.10032527563991 0.07215795962344 78.960 > 18 70 Se 0.82627621151859 0.10032527563991 0.07215795962344 78.960 > 18 71 Se 0.32627621151859 0.60032527563991 0.07215795962344 78.960 > 18 72 Se 0.82627621151859 0.60032527563991 0.07215795962344 78.960 > 18 73 Se 0.32627621151859 0.14967472436009 0.57215795962344 78.960 > 19 74 Se 0.82627621151859 0.14967472436009 0.57215795962344 78.960 > 19 75 Se 0.32627621151859 0.64967472436009 0.57215795962344 78.960 > 19 76 Se 0.82627621151859 0.64967472436009 0.57215795962344 78.960 > 19 77 Se 0.17372378848141 0.39967472436009 0.92784204037656 78.960 > 20 78 Se 0.67372378848141 0.39967472436009 0.92784204037656 78.960 > 20 79 Se 0.17372378848141 0.89967472436009 0.92784204037656 78.960 > 20 80 Se 0.67372378848141 0.89967472436009 0.92784204037656 78.960 > 20 *81 Se 0.17185503553309 0.12842600931115 0.26937539458041 78.960 > 21 82 Se 0.67185503553309 0.12842600931115 0.26937539458041 78.960 > 21 83 Se 0.17185503553309 0.62842600931115 0.26937539458041 78.960 > 21 84 Se 0.67185503553309 0.62842600931115 0.26937539458041 78.960 > 21 85 Se 0.32814496446691 0.37842600931115 0.23062460541959 78.960 > 22 86 Se 0.82814496446691 0.37842600931115 0.23062460541959 78.960 > 22 87 Se 0.32814496446691 0.87842600931115 0.23062460541959 78.960 > 22 88 Se 0.82814496446691 0.87842600931115 0.23062460541959 78.960 > 22 89 Se 0.32814496446691 0.37157399068885 0.73062460541959 78.960 > 23 90 Se 0.82814496446691 0.37157399068885 0.73062460541959 78.960 > 23 91 Se 0.32814496446691 0.87157399068885 0.73062460541959 78.960 > 23 92 Se 0.82814496446691 0.87157399068885 0.73062460541959 78.960 > 23 93 Se 0.17185503553309 0.12157399068885 0.76937539458041 78.960 > 24 94 Se 0.67185503553309 0.12157399068885 0.76937539458041 78.960 > 24 95 Se 0.17185503553309 0.62157399068885 0.76937539458041 78.960 > 24 96 Se 0.67185503553309 0.62157399068885 0.76937539458041 78.960 > 24 *97 Se 0.47740957573632 0.37010908016752 0.07232906524927 78.960 > 25 98 Se 0.97740957573632 0.37010908016752 0.07232906524927 78.960 > 25 99 Se 0.47740957573632 0.87010908016752 0.07232906524927 78.960 > 25 100 Se 0.97740957573632 0.87010908016752 0.07232906524927 78.960 > 25 101 Se 0.02259042426368 0.12010908016752 0.42767093475073 78.960 > 26 102 Se 0.52259042426368 0.12010908016752 0.42767093475073 78.960 > 26 103 Se 0.02259042426368 0.62010908016752 0.42767093475073 78.960 > 26 104 Se 0.52259042426368 0.62010908016752 0.42767093475073 78.960 > 26 105 Se 0.02259042426368 0.12989091983248 0.92767093475073 78.960 > 27 106 Se 0.52259042426368 0.12989091983248 0.92767093475073 78.960 > 27 107 Se 0.02259042426368 0.62989091983248 0.92767093475073 78.960 > 27 108 Se 0.52259042426368 0.62989091983248 0.92767093475073 78.960 > 27 109 Se 0.47740957573632 0.37989091983248 0.57232906524927 78.960 > 28 110 Se 0.97740957573632 0.37989091983248 0.57232906524927 78.960 > 28 111 Se 0.47740957573632 0.87989091983248 0.57232906524927 78.960 > 28 112 Se 0.97740957573632 0.87989091983248 0.57232906524927 78.960 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9116309 0.0000000 -0.0350788 0.0000000 4.7418816 0.0000000 -0.0350822 0.0000000 4.8786860 -------------------------- Born effective charges -------------------------- 1 Na 0.9642785 -0.0538788 0.2649673 -0.0254021 1.2226619 -0.0187337 0.2657371 -0.0839211 1.2769162 2 Na 0.9642785 0.0538788 0.2649673 0.0254021 1.2226619 0.0187337 0.2657371 0.0839211 1.2769162 3 Na 0.9642785 -0.0538788 0.2649673 -0.0254021 1.2226619 -0.0187337 0.2657371 -0.0839211 1.2769162 4 Na 0.9642785 0.0538788 0.2649673 0.0254021 1.2226619 0.0187337 0.2657371 0.0839211 1.2769162 5 Na 1.2845156 -0.0272054 -0.1318860 0.0644576 0.9502875 -0.0730257 -0.1202873 -0.1184960 1.1637511 6 Na 1.2845156 0.0272054 -0.1318860 -0.0644576 0.9502875 0.0730257 -0.1202873 0.1184960 1.1637511 7 Na 1.2845156 -0.0272054 -0.1318860 0.0644576 0.9502875 -0.0730257 -0.1202873 -0.1184960 1.1637511 8 Na 1.2845156 0.0272054 -0.1318860 -0.0644576 0.9502875 0.0730257 -0.1202873 0.1184960 1.1637511 9 Na 1.2651130 -0.0452830 -0.0998190 -0.0640153 1.3604120 0.0658338 -0.1076915 -0.0840487 1.1167192 10 Na 1.2651130 0.0452830 -0.0998190 0.0640153 1.3604120 -0.0658338 -0.1076915 0.0840487 1.1167192 11 Na 1.2651130 -0.0452830 -0.0998190 -0.0640153 1.3604120 0.0658338 -0.1076915 -0.0840487 1.1167192 12 Na 1.2651130 0.0452830 -0.0998190 0.0640153 1.3604120 -0.0658338 -0.1076915 0.0840487 1.1167192 13 Ga 2.2589995 -0.4081962 -0.0032679 -0.4220776 1.9259490 -0.6025362 -0.0335217 -0.6183120 2.3053247 14 Ga 2.2589995 0.4081962 -0.0032679 0.4220776 1.9259490 0.6025362 -0.0335217 0.6183120 2.3053247 15 Ga 2.2589995 -0.4081962 -0.0032679 -0.4220776 1.9259490 -0.6025362 -0.0335217 -0.6183120 2.3053247 16 Ga 2.2589995 0.4081962 -0.0032679 0.4220776 1.9259490 0.6025362 -0.0335217 0.6183120 2.3053247 17 Se -1.4704396 -0.0645464 -0.4400038 -0.0955972 -2.2330274 -0.0579243 -0.4242493 -0.1084148 -1.9419188 18 Se -1.4704396 0.0645464 -0.4400038 0.0955972 -2.2330274 0.0579243 -0.4242493 0.1084148 -1.9419188 19 Se -1.4704396 -0.0645464 -0.4400038 -0.0955972 -2.2330274 -0.0579243 -0.4242493 -0.1084148 -1.9419188 20 Se -1.4704396 0.0645464 -0.4400038 0.0955972 -2.2330274 0.0579243 -0.4242493 0.1084148 -1.9419188 21 Se -1.8009309 0.1087197 0.3465144 0.0492687 -1.6192096 -0.4403983 0.4765153 -0.3955659 -2.3571453 22 Se -1.8009309 -0.1087197 0.3465144 -0.0492687 -1.6192096 0.4403983 0.4765153 0.3955659 -2.3571453 23 Se -1.8009309 0.1087197 0.3465144 0.0492687 -1.6192096 -0.4403983 0.4765153 -0.3955659 -2.3571453 24 Se -1.8009309 -0.1087197 0.3465144 -0.0492687 -1.6192096 0.4403983 0.4765153 0.3955659 -2.3571453 25 Se -2.5015361 0.4364672 0.0634950 0.4433050 -1.6070733 -0.0019753 -0.0565026 0.0607353 -1.5636471 26 Se -2.5015361 -0.4364672 0.0634950 -0.4433050 -1.6070733 0.0019753 -0.0565026 -0.0607353 -1.5636471 27 Se -2.5015361 0.4364672 0.0634950 0.4433050 -1.6070733 -0.0019753 -0.0565026 0.0607353 -1.5636471 28 Se -2.5015361 -0.4364672 0.0634950 -0.4433050 -1.6070733 0.0019753 -0.0565026 -0.0607353 -1.5636471 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.029 Solver_block: 200 / 880 - Time: 0.962 Solver_block: 300 / 880 - Time: 0.964 Solver_block: 400 / 880 - Time: 0.973 Solver_block: 500 / 880 - Time: 0.960 Solver_block: 600 / 880 - Time: 0.950 Solver_block: 700 / 880 - Time: 0.968 Solver_block: 800 / 880 - Time: 0.966 Solver_block: 880 / 880 - Time: 0.777 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.725 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:00:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:00:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.424166380287439 0.000000000000000 0.000000000000000 b 0.000000000000000 7.194915149999999 0.000000000000000 c -7.228403047726097 0.000000000000000 13.118426563154976 Atomic positions (fractional): 1 Na 0.94146775042567 0.47195272867573 0.21550122730532 22.990 2 Na 0.05853224957433 0.97195272867573 0.28449877269468 22.990 3 Na 0.05853224957433 0.52804727132427 0.78449877269468 22.990 4 Na 0.94146775042567 0.02804727132428 0.71550122730532 22.990 5 Na 0.72511836554979 0.50008676604903 0.39294652898161 22.990 6 Na 0.27488163445021 0.00008676604903 0.10705347101839 22.990 7 Na 0.27488163445021 0.49991323395097 0.60705347101839 22.990 8 Na 0.72511836554979 0.99991323395097 0.89294652898161 22.990 9 Na 0.31730800431906 0.50061867814607 0.10103469405917 22.990 10 Na 0.68269199568094 0.00061867814607 0.39896530594083 22.990 11 Na 0.68269199568094 0.49938132185393 0.89896530594083 22.990 12 Na 0.31730800431906 0.99938132185393 0.60103469405917 22.990 13 Ga 0.66819460384284 0.85725452564734 0.08292917078421 69.723 14 Ga 0.33180539615716 0.35725452564734 0.41707082921579 69.723 15 Ga 0.33180539615716 0.14274547435266 0.91707082921579 69.723 16 Ga 0.66819460384284 0.64274547435266 0.58292917078421 69.723 17 Se 0.34744757696282 0.70065055127982 0.42784204037656 78.960 18 Se 0.65255242303718 0.20065055127982 0.07215795962344 78.960 19 Se 0.65255242303718 0.29934944872018 0.57215795962344 78.960 20 Se 0.34744757696282 0.79934944872018 0.92784204037656 78.960 21 Se 0.34371007106618 0.25685201862231 0.26937539458041 78.960 22 Se 0.65628992893382 0.75685201862231 0.23062460541959 78.960 23 Se 0.65628992893382 0.74314798137769 0.73062460541959 78.960 24 Se 0.34371007106618 0.24314798137769 0.76937539458041 78.960 25 Se 0.95481915147264 0.74021816033504 0.07232906524927 78.960 26 Se 0.04518084852736 0.24021816033504 0.42767093475073 78.960 27 Se 0.04518084852736 0.25978183966496 0.92767093475073 78.960 28 Se 0.95481915147264 0.75978183966496 0.57232906524927 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.848332760574879 0.000000000000000 0.000000000000000 b 0.000000000000000 14.389830299999998 0.000000000000000 c -7.228403047726097 0.000000000000000 13.118426563154976 Atomic positions (fractional): 1 Na 0.47073387521283 0.23597636433786 0.21550122730532 22.990 > 1 2 Na 0.97073387521283 0.23597636433786 0.21550122730532 22.990 > 1 3 Na 0.47073387521283 0.73597636433786 0.21550122730532 22.990 > 1 4 Na 0.97073387521283 0.73597636433786 0.21550122730532 22.990 > 1 5 Na 0.02926612478717 0.48597636433786 0.28449877269468 22.990 > 5 6 Na 0.52926612478717 0.48597636433786 0.28449877269468 22.990 > 5 7 Na 0.02926612478717 0.98597636433786 0.28449877269468 22.990 > 5 8 Na 0.52926612478717 0.98597636433786 0.28449877269468 22.990 > 5 9 Na 0.02926612478717 0.26402363566214 0.78449877269468 22.990 > 9 10 Na 0.52926612478717 0.26402363566214 0.78449877269468 22.990 > 9 11 Na 0.02926612478717 0.76402363566214 0.78449877269468 22.990 > 9 12 Na 0.52926612478717 0.76402363566214 0.78449877269468 22.990 > 9 13 Na 0.47073387521283 0.01402363566214 0.71550122730532 22.990 > 13 14 Na 0.97073387521283 0.01402363566214 0.71550122730532 22.990 > 13 15 Na 0.47073387521283 0.51402363566214 0.71550122730532 22.990 > 13 16 Na 0.97073387521283 0.51402363566214 0.71550122730532 22.990 > 13 17 Na 0.36255918277490 0.25004338302451 0.39294652898161 22.990 > 17 18 Na 0.86255918277490 0.25004338302451 0.39294652898161 22.990 > 17 19 Na 0.36255918277490 0.75004338302451 0.39294652898161 22.990 > 17 20 Na 0.86255918277490 0.75004338302451 0.39294652898161 22.990 > 17 21 Na 0.13744081722510 0.00004338302451 0.10705347101839 22.990 > 21 22 Na 0.63744081722510 0.00004338302451 0.10705347101839 22.990 > 21 23 Na 0.13744081722510 0.50004338302451 0.10705347101839 22.990 > 21 24 Na 0.63744081722510 0.50004338302451 0.10705347101839 22.990 > 21 25 Na 0.13744081722510 0.24995661697549 0.60705347101839 22.990 > 25 26 Na 0.63744081722510 0.24995661697549 0.60705347101839 22.990 > 25 27 Na 0.13744081722510 0.74995661697549 0.60705347101839 22.990 > 25 28 Na 0.63744081722510 0.74995661697549 0.60705347101839 22.990 > 25 29 Na 0.36255918277490 0.49995661697549 0.89294652898161 22.990 > 29 30 Na 0.86255918277490 0.49995661697549 0.89294652898161 22.990 > 29 31 Na 0.36255918277490 0.99995661697549 0.89294652898161 22.990 > 29 32 Na 0.86255918277490 0.99995661697549 0.89294652898161 22.990 > 29 33 Na 0.15865400215953 0.25030933907303 0.10103469405917 22.990 > 33 34 Na 0.65865400215953 0.25030933907303 0.10103469405917 22.990 > 33 35 Na 0.15865400215953 0.75030933907303 0.10103469405917 22.990 > 33 36 Na 0.65865400215953 0.75030933907303 0.10103469405917 22.990 > 33 37 Na 0.34134599784047 0.00030933907303 0.39896530594083 22.990 > 37 38 Na 0.84134599784047 0.00030933907303 0.39896530594083 22.990 > 37 39 Na 0.34134599784047 0.50030933907303 0.39896530594083 22.990 > 37 40 Na 0.84134599784047 0.50030933907303 0.39896530594083 22.990 > 37 41 Na 0.34134599784047 0.24969066092697 0.89896530594083 22.990 > 41 42 Na 0.84134599784047 0.24969066092697 0.89896530594083 22.990 > 41 43 Na 0.34134599784047 0.74969066092697 0.89896530594083 22.990 > 41 44 Na 0.84134599784047 0.74969066092697 0.89896530594083 22.990 > 41 45 Na 0.15865400215953 0.49969066092697 0.60103469405917 22.990 > 45 46 Na 0.65865400215953 0.49969066092697 0.60103469405917 22.990 > 45 47 Na 0.15865400215953 0.99969066092697 0.60103469405917 22.990 > 45 48 Na 0.65865400215953 0.99969066092697 0.60103469405917 22.990 > 45 49 Ga 0.33409730192142 0.42862726282367 0.08292917078421 69.723 > 49 50 Ga 0.83409730192142 0.42862726282367 0.08292917078421 69.723 > 49 51 Ga 0.33409730192142 0.92862726282367 0.08292917078421 69.723 > 49 52 Ga 0.83409730192142 0.92862726282367 0.08292917078421 69.723 > 49 53 Ga 0.16590269807858 0.17862726282367 0.41707082921579 69.723 > 53 54 Ga 0.66590269807858 0.17862726282367 0.41707082921579 69.723 > 53 55 Ga 0.16590269807858 0.67862726282367 0.41707082921579 69.723 > 53 56 Ga 0.66590269807858 0.67862726282367 0.41707082921579 69.723 > 53 57 Ga 0.16590269807858 0.07137273717633 0.91707082921579 69.723 > 57 58 Ga 0.66590269807858 0.07137273717633 0.91707082921579 69.723 > 57 59 Ga 0.16590269807858 0.57137273717633 0.91707082921579 69.723 > 57 60 Ga 0.66590269807858 0.57137273717633 0.91707082921579 69.723 > 57 61 Ga 0.33409730192142 0.32137273717633 0.58292917078421 69.723 > 61 62 Ga 0.83409730192142 0.32137273717633 0.58292917078421 69.723 > 61 63 Ga 0.33409730192142 0.82137273717633 0.58292917078421 69.723 > 61 64 Ga 0.83409730192142 0.82137273717633 0.58292917078421 69.723 > 61 65 Se 0.17372378848141 0.35032527563991 0.42784204037656 78.960 > 65 66 Se 0.67372378848141 0.35032527563991 0.42784204037656 78.960 > 65 67 Se 0.17372378848141 0.85032527563991 0.42784204037656 78.960 > 65 68 Se 0.67372378848141 0.85032527563991 0.42784204037656 78.960 > 65 69 Se 0.32627621151859 0.10032527563991 0.07215795962344 78.960 > 69 70 Se 0.82627621151859 0.10032527563991 0.07215795962344 78.960 > 69 71 Se 0.32627621151859 0.60032527563991 0.07215795962344 78.960 > 69 72 Se 0.82627621151859 0.60032527563991 0.07215795962344 78.960 > 69 73 Se 0.32627621151859 0.14967472436009 0.57215795962344 78.960 > 73 74 Se 0.82627621151859 0.14967472436009 0.57215795962344 78.960 > 73 75 Se 0.32627621151859 0.64967472436009 0.57215795962344 78.960 > 73 76 Se 0.82627621151859 0.64967472436009 0.57215795962344 78.960 > 73 77 Se 0.17372378848141 0.39967472436009 0.92784204037656 78.960 > 77 78 Se 0.67372378848141 0.39967472436009 0.92784204037656 78.960 > 77 79 Se 0.17372378848141 0.89967472436009 0.92784204037656 78.960 > 77 80 Se 0.67372378848141 0.89967472436009 0.92784204037656 78.960 > 77 81 Se 0.17185503553309 0.12842600931115 0.26937539458041 78.960 > 81 82 Se 0.67185503553309 0.12842600931115 0.26937539458041 78.960 > 81 83 Se 0.17185503553309 0.62842600931115 0.26937539458041 78.960 > 81 84 Se 0.67185503553309 0.62842600931115 0.26937539458041 78.960 > 81 85 Se 0.32814496446691 0.37842600931115 0.23062460541959 78.960 > 85 86 Se 0.82814496446691 0.37842600931115 0.23062460541959 78.960 > 85 87 Se 0.32814496446691 0.87842600931115 0.23062460541959 78.960 > 85 88 Se 0.82814496446691 0.87842600931115 0.23062460541959 78.960 > 85 89 Se 0.32814496446691 0.37157399068885 0.73062460541959 78.960 > 89 90 Se 0.82814496446691 0.37157399068885 0.73062460541959 78.960 > 89 91 Se 0.32814496446691 0.87157399068885 0.73062460541959 78.960 > 89 92 Se 0.82814496446691 0.87157399068885 0.73062460541959 78.960 > 89 93 Se 0.17185503553309 0.12157399068885 0.76937539458041 78.960 > 93 94 Se 0.67185503553309 0.12157399068885 0.76937539458041 78.960 > 93 95 Se 0.17185503553309 0.62157399068885 0.76937539458041 78.960 > 93 96 Se 0.67185503553309 0.62157399068885 0.76937539458041 78.960 > 93 97 Se 0.47740957573632 0.37010908016752 0.07232906524927 78.960 > 97 98 Se 0.97740957573632 0.37010908016752 0.07232906524927 78.960 > 97 99 Se 0.47740957573632 0.87010908016752 0.07232906524927 78.960 > 97 100 Se 0.97740957573632 0.87010908016752 0.07232906524927 78.960 > 97 101 Se 0.02259042426368 0.12010908016752 0.42767093475073 78.960 > 101 102 Se 0.52259042426368 0.12010908016752 0.42767093475073 78.960 > 101 103 Se 0.02259042426368 0.62010908016752 0.42767093475073 78.960 > 101 104 Se 0.52259042426368 0.62010908016752 0.42767093475073 78.960 > 101 105 Se 0.02259042426368 0.12989091983248 0.92767093475073 78.960 > 105 106 Se 0.52259042426368 0.12989091983248 0.92767093475073 78.960 > 105 107 Se 0.02259042426368 0.62989091983248 0.92767093475073 78.960 > 105 108 Se 0.52259042426368 0.62989091983248 0.92767093475073 78.960 > 105 109 Se 0.47740957573632 0.37989091983248 0.57232906524927 78.960 > 109 110 Se 0.97740957573632 0.37989091983248 0.57232906524927 78.960 > 109 111 Se 0.47740957573632 0.87989091983248 0.57232906524927 78.960 > 109 112 Se 0.97740957573632 0.87989091983248 0.57232906524927 78.960 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9116309 0.0000000 -0.0350788 0.0000000 4.7418816 0.0000000 -0.0350822 0.0000000 4.8786860 -------------------------- Born effective charges -------------------------- 1 Na 0.9642785 -0.0538788 0.2649673 -0.0254021 1.2226619 -0.0187337 0.2657371 -0.0839211 1.2769162 2 Na 0.9642785 0.0538788 0.2649673 0.0254021 1.2226619 0.0187337 0.2657371 0.0839211 1.2769162 3 Na 0.9642785 -0.0538788 0.2649673 -0.0254021 1.2226619 -0.0187337 0.2657371 -0.0839211 1.2769162 4 Na 0.9642785 0.0538788 0.2649673 0.0254021 1.2226619 0.0187337 0.2657371 0.0839211 1.2769162 5 Na 1.2845156 -0.0272054 -0.1318860 0.0644576 0.9502875 -0.0730257 -0.1202873 -0.1184960 1.1637511 6 Na 1.2845156 0.0272054 -0.1318860 -0.0644576 0.9502875 0.0730257 -0.1202873 0.1184960 1.1637511 7 Na 1.2845156 -0.0272054 -0.1318860 0.0644576 0.9502875 -0.0730257 -0.1202873 -0.1184960 1.1637511 8 Na 1.2845156 0.0272054 -0.1318860 -0.0644576 0.9502875 0.0730257 -0.1202873 0.1184960 1.1637511 9 Na 1.2651130 -0.0452830 -0.0998190 -0.0640153 1.3604120 0.0658338 -0.1076915 -0.0840487 1.1167192 10 Na 1.2651130 0.0452830 -0.0998190 0.0640153 1.3604120 -0.0658338 -0.1076915 0.0840487 1.1167192 11 Na 1.2651130 -0.0452830 -0.0998190 -0.0640153 1.3604120 0.0658338 -0.1076915 -0.0840487 1.1167192 12 Na 1.2651130 0.0452830 -0.0998190 0.0640153 1.3604120 -0.0658338 -0.1076915 0.0840487 1.1167192 13 Ga 2.2589995 -0.4081962 -0.0032679 -0.4220776 1.9259490 -0.6025362 -0.0335217 -0.6183120 2.3053247 14 Ga 2.2589995 0.4081962 -0.0032679 0.4220776 1.9259490 0.6025362 -0.0335217 0.6183120 2.3053247 15 Ga 2.2589995 -0.4081962 -0.0032679 -0.4220776 1.9259490 -0.6025362 -0.0335217 -0.6183120 2.3053247 16 Ga 2.2589995 0.4081962 -0.0032679 0.4220776 1.9259490 0.6025362 -0.0335217 0.6183120 2.3053247 17 Se -1.4704396 -0.0645464 -0.4400038 -0.0955972 -2.2330274 -0.0579243 -0.4242493 -0.1084148 -1.9419188 18 Se -1.4704396 0.0645464 -0.4400038 0.0955972 -2.2330274 0.0579243 -0.4242493 0.1084148 -1.9419188 19 Se -1.4704396 -0.0645464 -0.4400038 -0.0955972 -2.2330274 -0.0579243 -0.4242493 -0.1084148 -1.9419188 20 Se -1.4704396 0.0645464 -0.4400038 0.0955972 -2.2330274 0.0579243 -0.4242493 0.1084148 -1.9419188 21 Se -1.8009309 0.1087197 0.3465144 0.0492687 -1.6192096 -0.4403983 0.4765153 -0.3955659 -2.3571453 22 Se -1.8009309 -0.1087197 0.3465144 -0.0492687 -1.6192096 0.4403983 0.4765153 0.3955659 -2.3571453 23 Se -1.8009309 0.1087197 0.3465144 0.0492687 -1.6192096 -0.4403983 0.4765153 -0.3955659 -2.3571453 24 Se -1.8009309 -0.1087197 0.3465144 -0.0492687 -1.6192096 0.4403983 0.4765153 0.3955659 -2.3571453 25 Se -2.5015361 0.4364672 0.0634950 0.4433050 -1.6070733 -0.0019753 -0.0565026 0.0607353 -1.5636471 26 Se -2.5015361 -0.4364672 0.0634950 -0.4433050 -1.6070733 0.0019753 -0.0565026 -0.0607353 -1.5636471 27 Se -2.5015361 0.4364672 0.0634950 0.4433050 -1.6070733 -0.0019753 -0.0565026 0.0607353 -1.5636471 28 Se -2.5015361 -0.4364672 0.0634950 -0.4433050 -1.6070733 0.0019753 -0.0565026 -0.0607353 -1.5636471 ---------------------------------------------------------------------------- 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000111 (xxx) -0.00000111 (xxx) -0.00000111 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000058 (zy) 0.00000058 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:01:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:01:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.424166380287439 0.000000000000000 0.000000000000000 b 0.000000000000000 7.194915149999999 0.000000000000000 c -7.228403047726097 0.000000000000000 13.118426563154976 Atomic positions (fractional): 1 Na 0.94146775042567 0.47195272867573 0.21550122730532 22.990 2 Na 0.05853224957433 0.97195272867573 0.28449877269468 22.990 3 Na 0.05853224957433 0.52804727132427 0.78449877269468 22.990 4 Na 0.94146775042567 0.02804727132428 0.71550122730532 22.990 5 Na 0.72511836554979 0.50008676604903 0.39294652898161 22.990 6 Na 0.27488163445021 0.00008676604903 0.10705347101839 22.990 7 Na 0.27488163445021 0.49991323395097 0.60705347101839 22.990 8 Na 0.72511836554979 0.99991323395097 0.89294652898161 22.990 9 Na 0.31730800431906 0.50061867814607 0.10103469405917 22.990 10 Na 0.68269199568094 0.00061867814607 0.39896530594083 22.990 11 Na 0.68269199568094 0.49938132185393 0.89896530594083 22.990 12 Na 0.31730800431906 0.99938132185393 0.60103469405917 22.990 13 Ga 0.66819460384284 0.85725452564734 0.08292917078421 69.723 14 Ga 0.33180539615716 0.35725452564734 0.41707082921579 69.723 15 Ga 0.33180539615716 0.14274547435266 0.91707082921579 69.723 16 Ga 0.66819460384284 0.64274547435266 0.58292917078421 69.723 17 Se 0.34744757696282 0.70065055127982 0.42784204037656 78.960 18 Se 0.65255242303718 0.20065055127982 0.07215795962344 78.960 19 Se 0.65255242303718 0.29934944872018 0.57215795962344 78.960 20 Se 0.34744757696282 0.79934944872018 0.92784204037656 78.960 21 Se 0.34371007106618 0.25685201862231 0.26937539458041 78.960 22 Se 0.65628992893382 0.75685201862231 0.23062460541959 78.960 23 Se 0.65628992893382 0.74314798137769 0.73062460541959 78.960 24 Se 0.34371007106618 0.24314798137769 0.76937539458041 78.960 25 Se 0.95481915147264 0.74021816033504 0.07232906524927 78.960 26 Se 0.04518084852736 0.24021816033504 0.42767093475073 78.960 27 Se 0.04518084852736 0.25978183966496 0.92767093475073 78.960 28 Se 0.95481915147264 0.75978183966496 0.57232906524927 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.848332760574879 0.000000000000000 0.000000000000000 b 0.000000000000000 14.389830299999998 0.000000000000000 c -7.228403047726097 0.000000000000000 13.118426563154976 Atomic positions (fractional): 1 Na 0.47073387521283 0.23597636433786 0.21550122730532 22.990 > 1 2 Na 0.97073387521283 0.23597636433786 0.21550122730532 22.990 > 1 3 Na 0.47073387521283 0.73597636433786 0.21550122730532 22.990 > 1 4 Na 0.97073387521283 0.73597636433786 0.21550122730532 22.990 > 1 5 Na 0.02926612478717 0.48597636433786 0.28449877269468 22.990 > 5 6 Na 0.52926612478717 0.48597636433786 0.28449877269468 22.990 > 5 7 Na 0.02926612478717 0.98597636433786 0.28449877269468 22.990 > 5 8 Na 0.52926612478717 0.98597636433786 0.28449877269468 22.990 > 5 9 Na 0.02926612478717 0.26402363566214 0.78449877269468 22.990 > 9 10 Na 0.52926612478717 0.26402363566214 0.78449877269468 22.990 > 9 11 Na 0.02926612478717 0.76402363566214 0.78449877269468 22.990 > 9 12 Na 0.52926612478717 0.76402363566214 0.78449877269468 22.990 > 9 13 Na 0.47073387521283 0.01402363566214 0.71550122730532 22.990 > 13 14 Na 0.97073387521283 0.01402363566214 0.71550122730532 22.990 > 13 15 Na 0.47073387521283 0.51402363566214 0.71550122730532 22.990 > 13 16 Na 0.97073387521283 0.51402363566214 0.71550122730532 22.990 > 13 17 Na 0.36255918277490 0.25004338302451 0.39294652898161 22.990 > 17 18 Na 0.86255918277490 0.25004338302451 0.39294652898161 22.990 > 17 19 Na 0.36255918277490 0.75004338302451 0.39294652898161 22.990 > 17 20 Na 0.86255918277490 0.75004338302451 0.39294652898161 22.990 > 17 21 Na 0.13744081722510 0.00004338302451 0.10705347101839 22.990 > 21 22 Na 0.63744081722510 0.00004338302451 0.10705347101839 22.990 > 21 23 Na 0.13744081722510 0.50004338302451 0.10705347101839 22.990 > 21 24 Na 0.63744081722510 0.50004338302451 0.10705347101839 22.990 > 21 25 Na 0.13744081722510 0.24995661697549 0.60705347101839 22.990 > 25 26 Na 0.63744081722510 0.24995661697549 0.60705347101839 22.990 > 25 27 Na 0.13744081722510 0.74995661697549 0.60705347101839 22.990 > 25 28 Na 0.63744081722510 0.74995661697549 0.60705347101839 22.990 > 25 29 Na 0.36255918277490 0.49995661697549 0.89294652898161 22.990 > 29 30 Na 0.86255918277490 0.49995661697549 0.89294652898161 22.990 > 29 31 Na 0.36255918277490 0.99995661697549 0.89294652898161 22.990 > 29 32 Na 0.86255918277490 0.99995661697549 0.89294652898161 22.990 > 29 33 Na 0.15865400215953 0.25030933907303 0.10103469405917 22.990 > 33 34 Na 0.65865400215953 0.25030933907303 0.10103469405917 22.990 > 33 35 Na 0.15865400215953 0.75030933907303 0.10103469405917 22.990 > 33 36 Na 0.65865400215953 0.75030933907303 0.10103469405917 22.990 > 33 37 Na 0.34134599784047 0.00030933907303 0.39896530594083 22.990 > 37 38 Na 0.84134599784047 0.00030933907303 0.39896530594083 22.990 > 37 39 Na 0.34134599784047 0.50030933907303 0.39896530594083 22.990 > 37 40 Na 0.84134599784047 0.50030933907303 0.39896530594083 22.990 > 37 41 Na 0.34134599784047 0.24969066092697 0.89896530594083 22.990 > 41 42 Na 0.84134599784047 0.24969066092697 0.89896530594083 22.990 > 41 43 Na 0.34134599784047 0.74969066092697 0.89896530594083 22.990 > 41 44 Na 0.84134599784047 0.74969066092697 0.89896530594083 22.990 > 41 45 Na 0.15865400215953 0.49969066092697 0.60103469405917 22.990 > 45 46 Na 0.65865400215953 0.49969066092697 0.60103469405917 22.990 > 45 47 Na 0.15865400215953 0.99969066092697 0.60103469405917 22.990 > 45 48 Na 0.65865400215953 0.99969066092697 0.60103469405917 22.990 > 45 49 Ga 0.33409730192142 0.42862726282367 0.08292917078421 69.723 > 49 50 Ga 0.83409730192142 0.42862726282367 0.08292917078421 69.723 > 49 51 Ga 0.33409730192142 0.92862726282367 0.08292917078421 69.723 > 49 52 Ga 0.83409730192142 0.92862726282367 0.08292917078421 69.723 > 49 53 Ga 0.16590269807858 0.17862726282367 0.41707082921579 69.723 > 53 54 Ga 0.66590269807858 0.17862726282367 0.41707082921579 69.723 > 53 55 Ga 0.16590269807858 0.67862726282367 0.41707082921579 69.723 > 53 56 Ga 0.66590269807858 0.67862726282367 0.41707082921579 69.723 > 53 57 Ga 0.16590269807858 0.07137273717633 0.91707082921579 69.723 > 57 58 Ga 0.66590269807858 0.07137273717633 0.91707082921579 69.723 > 57 59 Ga 0.16590269807858 0.57137273717633 0.91707082921579 69.723 > 57 60 Ga 0.66590269807858 0.57137273717633 0.91707082921579 69.723 > 57 61 Ga 0.33409730192142 0.32137273717633 0.58292917078421 69.723 > 61 62 Ga 0.83409730192142 0.32137273717633 0.58292917078421 69.723 > 61 63 Ga 0.33409730192142 0.82137273717633 0.58292917078421 69.723 > 61 64 Ga 0.83409730192142 0.82137273717633 0.58292917078421 69.723 > 61 65 Se 0.17372378848141 0.35032527563991 0.42784204037656 78.960 > 65 66 Se 0.67372378848141 0.35032527563991 0.42784204037656 78.960 > 65 67 Se 0.17372378848141 0.85032527563991 0.42784204037656 78.960 > 65 68 Se 0.67372378848141 0.85032527563991 0.42784204037656 78.960 > 65 69 Se 0.32627621151859 0.10032527563991 0.07215795962344 78.960 > 69 70 Se 0.82627621151859 0.10032527563991 0.07215795962344 78.960 > 69 71 Se 0.32627621151859 0.60032527563991 0.07215795962344 78.960 > 69 72 Se 0.82627621151859 0.60032527563991 0.07215795962344 78.960 > 69 73 Se 0.32627621151859 0.14967472436009 0.57215795962344 78.960 > 73 74 Se 0.82627621151859 0.14967472436009 0.57215795962344 78.960 > 73 75 Se 0.32627621151859 0.64967472436009 0.57215795962344 78.960 > 73 76 Se 0.82627621151859 0.64967472436009 0.57215795962344 78.960 > 73 77 Se 0.17372378848141 0.39967472436009 0.92784204037656 78.960 > 77 78 Se 0.67372378848141 0.39967472436009 0.92784204037656 78.960 > 77 79 Se 0.17372378848141 0.89967472436009 0.92784204037656 78.960 > 77 80 Se 0.67372378848141 0.89967472436009 0.92784204037656 78.960 > 77 81 Se 0.17185503553309 0.12842600931115 0.26937539458041 78.960 > 81 82 Se 0.67185503553309 0.12842600931115 0.26937539458041 78.960 > 81 83 Se 0.17185503553309 0.62842600931115 0.26937539458041 78.960 > 81 84 Se 0.67185503553309 0.62842600931115 0.26937539458041 78.960 > 81 85 Se 0.32814496446691 0.37842600931115 0.23062460541959 78.960 > 85 86 Se 0.82814496446691 0.37842600931115 0.23062460541959 78.960 > 85 87 Se 0.32814496446691 0.87842600931115 0.23062460541959 78.960 > 85 88 Se 0.82814496446691 0.87842600931115 0.23062460541959 78.960 > 85 89 Se 0.32814496446691 0.37157399068885 0.73062460541959 78.960 > 89 90 Se 0.82814496446691 0.37157399068885 0.73062460541959 78.960 > 89 91 Se 0.32814496446691 0.87157399068885 0.73062460541959 78.960 > 89 92 Se 0.82814496446691 0.87157399068885 0.73062460541959 78.960 > 89 93 Se 0.17185503553309 0.12157399068885 0.76937539458041 78.960 > 93 94 Se 0.67185503553309 0.12157399068885 0.76937539458041 78.960 > 93 95 Se 0.17185503553309 0.62157399068885 0.76937539458041 78.960 > 93 96 Se 0.67185503553309 0.62157399068885 0.76937539458041 78.960 > 93 97 Se 0.47740957573632 0.37010908016752 0.07232906524927 78.960 > 97 98 Se 0.97740957573632 0.37010908016752 0.07232906524927 78.960 > 97 99 Se 0.47740957573632 0.87010908016752 0.07232906524927 78.960 > 97 100 Se 0.97740957573632 0.87010908016752 0.07232906524927 78.960 > 97 101 Se 0.02259042426368 0.12010908016752 0.42767093475073 78.960 > 101 102 Se 0.52259042426368 0.12010908016752 0.42767093475073 78.960 > 101 103 Se 0.02259042426368 0.62010908016752 0.42767093475073 78.960 > 101 104 Se 0.52259042426368 0.62010908016752 0.42767093475073 78.960 > 101 105 Se 0.02259042426368 0.12989091983248 0.92767093475073 78.960 > 105 106 Se 0.52259042426368 0.12989091983248 0.92767093475073 78.960 > 105 107 Se 0.02259042426368 0.62989091983248 0.92767093475073 78.960 > 105 108 Se 0.52259042426368 0.62989091983248 0.92767093475073 78.960 > 105 109 Se 0.47740957573632 0.37989091983248 0.57232906524927 78.960 > 109 110 Se 0.97740957573632 0.37989091983248 0.57232906524927 78.960 > 109 111 Se 0.47740957573632 0.87989091983248 0.57232906524927 78.960 > 109 112 Se 0.97740957573632 0.87989091983248 0.57232906524927 78.960 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9116309 0.0000000 -0.0350788 0.0000000 4.7418816 0.0000000 -0.0350822 0.0000000 4.8786860 -------------------------- Born effective charges -------------------------- 1 Na 0.9642785 -0.0538788 0.2649673 -0.0254021 1.2226619 -0.0187337 0.2657371 -0.0839211 1.2769162 2 Na 0.9642785 0.0538788 0.2649673 0.0254021 1.2226619 0.0187337 0.2657371 0.0839211 1.2769162 3 Na 0.9642785 -0.0538788 0.2649673 -0.0254021 1.2226619 -0.0187337 0.2657371 -0.0839211 1.2769162 4 Na 0.9642785 0.0538788 0.2649673 0.0254021 1.2226619 0.0187337 0.2657371 0.0839211 1.2769162 5 Na 1.2845156 -0.0272054 -0.1318860 0.0644576 0.9502875 -0.0730257 -0.1202873 -0.1184960 1.1637511 6 Na 1.2845156 0.0272054 -0.1318860 -0.0644576 0.9502875 0.0730257 -0.1202873 0.1184960 1.1637511 7 Na 1.2845156 -0.0272054 -0.1318860 0.0644576 0.9502875 -0.0730257 -0.1202873 -0.1184960 1.1637511 8 Na 1.2845156 0.0272054 -0.1318860 -0.0644576 0.9502875 0.0730257 -0.1202873 0.1184960 1.1637511 9 Na 1.2651130 -0.0452830 -0.0998190 -0.0640153 1.3604120 0.0658338 -0.1076915 -0.0840487 1.1167192 10 Na 1.2651130 0.0452830 -0.0998190 0.0640153 1.3604120 -0.0658338 -0.1076915 0.0840487 1.1167192 11 Na 1.2651130 -0.0452830 -0.0998190 -0.0640153 1.3604120 0.0658338 -0.1076915 -0.0840487 1.1167192 12 Na 1.2651130 0.0452830 -0.0998190 0.0640153 1.3604120 -0.0658338 -0.1076915 0.0840487 1.1167192 13 Ga 2.2589995 -0.4081962 -0.0032679 -0.4220776 1.9259490 -0.6025362 -0.0335217 -0.6183120 2.3053247 14 Ga 2.2589995 0.4081962 -0.0032679 0.4220776 1.9259490 0.6025362 -0.0335217 0.6183120 2.3053247 15 Ga 2.2589995 -0.4081962 -0.0032679 -0.4220776 1.9259490 -0.6025362 -0.0335217 -0.6183120 2.3053247 16 Ga 2.2589995 0.4081962 -0.0032679 0.4220776 1.9259490 0.6025362 -0.0335217 0.6183120 2.3053247 17 Se -1.4704396 -0.0645464 -0.4400038 -0.0955972 -2.2330274 -0.0579243 -0.4242493 -0.1084148 -1.9419188 18 Se -1.4704396 0.0645464 -0.4400038 0.0955972 -2.2330274 0.0579243 -0.4242493 0.1084148 -1.9419188 19 Se -1.4704396 -0.0645464 -0.4400038 -0.0955972 -2.2330274 -0.0579243 -0.4242493 -0.1084148 -1.9419188 20 Se -1.4704396 0.0645464 -0.4400038 0.0955972 -2.2330274 0.0579243 -0.4242493 0.1084148 -1.9419188 21 Se -1.8009309 0.1087197 0.3465144 0.0492687 -1.6192096 -0.4403983 0.4765153 -0.3955659 -2.3571453 22 Se -1.8009309 -0.1087197 0.3465144 -0.0492687 -1.6192096 0.4403983 0.4765153 0.3955659 -2.3571453 23 Se -1.8009309 0.1087197 0.3465144 0.0492687 -1.6192096 -0.4403983 0.4765153 -0.3955659 -2.3571453 24 Se -1.8009309 -0.1087197 0.3465144 -0.0492687 -1.6192096 0.4403983 0.4765153 0.3955659 -2.3571453 25 Se -2.5015361 0.4364672 0.0634950 0.4433050 -1.6070733 -0.0019753 -0.0565026 0.0607353 -1.5636471 26 Se -2.5015361 -0.4364672 0.0634950 -0.4433050 -1.6070733 0.0019753 -0.0565026 -0.0607353 -1.5636471 27 Se -2.5015361 0.4364672 0.0634950 0.4433050 -1.6070733 -0.0019753 -0.0565026 0.0607353 -1.5636471 28 Se -2.5015361 -0.4364672 0.0634950 -0.4433050 -1.6070733 0.0019753 -0.0565026 -0.0607353 -1.5636471 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000111 (xxx) -0.00000111 (xxx) -0.00000111 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 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: 0.47, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.055 ( 0.000 0.000 0.000) 0.000 1.055 ( 0.000 0.000 0.000) 0.000 1.061 ( 0.000 0.000 0.000) 0.000 1.141 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 7.174 ( 0.000 0.000 0.000) 0.000 7.424 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.091 ( 0.000 0.000 0.000) 0.000 8.109 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 16.852 0.000 1.483) 16.918 0.333 ( 12.510 0.000 12.594) 17.751 0.584 ( 23.517 0.000 15.556) 28.196 0.868 ( -1.849 0.000 -15.119) 15.232 0.978 ( -3.761 0.000 -4.779) 6.082 1.075 ( 0.846 0.000 2.022) 2.192 1.126 ( -1.849 0.000 0.156) 1.856 1.237 ( 2.612 0.000 -6.726) 7.215 1.248 ( 4.571 0.000 6.538) 7.978 1.307 ( -0.249 0.000 -5.388) 5.394 1.330 ( 1.388 0.000 6.750) 6.891 1.429 ( 2.327 0.000 6.308) 6.723 1.761 ( -5.510 0.000 -7.805) 9.554 1.889 ( -4.325 0.000 -4.138) 5.986 2.035 ( -5.206 0.000 -0.042) 5.206 2.103 ( 3.205 0.000 4.556) 5.570 2.116 ( -3.235 0.000 1.973) 3.789 2.218 ( 3.931 0.000 -6.050) 7.215 2.372 ( -6.083 0.000 1.301) 6.220 2.396 ( 1.044 0.000 1.714) 2.007 2.474 ( 3.843 0.000 1.826) 4.255 2.528 ( -1.208 0.000 -0.430) 1.282 2.555 ( 0.167 0.000 -1.069) 1.082 2.633 ( -0.110 0.000 0.760) 0.767 2.671 ( 5.618 0.000 1.472) 5.808 2.724 ( 1.068 0.000 -3.858) 4.003 2.807 ( 3.791 0.000 5.508) 6.687 2.814 ( 3.953 0.000 2.130) 4.490 2.870 ( -1.822 0.000 -0.451) 1.877 2.886 ( 1.531 0.000 -2.537) 2.963 2.902 ( -1.278 0.000 -0.171) 1.289 3.004 ( -3.732 0.000 -5.338) 6.513 3.039 ( 6.254 0.000 -10.354) 12.096 3.092 ( 1.701 0.000 -5.019) 5.299 3.107 ( 4.118 0.000 -5.265) 6.684 3.275 ( -3.206 0.000 -5.962) 6.770 3.359 ( 0.530 0.000 1.041) 1.168 3.394 ( -3.701 0.000 5.921) 6.982 3.453 ( -1.025 0.000 1.022) 1.448 3.544 ( 3.633 0.000 2.321) 4.311 3.604 ( 2.753 0.000 0.430) 2.786 3.698 ( 0.087 0.000 -5.998) 5.999 3.752 ( -2.018 0.000 1.448) 2.484 3.768 ( 1.522 0.000 8.299) 8.437 3.823 ( -1.004 0.000 -3.707) 3.841 3.845 ( 1.077 0.000 1.065) 1.515 3.895 ( -2.771 0.000 0.589) 2.832 3.999 ( 2.392 0.000 1.521) 2.834 4.079 ( 0.188 0.000 1.502) 1.514 4.214 ( -0.258 0.000 -2.115) 2.131 4.309 ( -0.031 0.000 1.364) 1.364 4.484 ( 2.358 0.000 0.200) 2.367 4.492 ( -2.019 0.000 -0.700) 2.137 4.547 ( 0.997 0.000 2.104) 2.328 4.617 ( -4.235 0.000 1.275) 4.422 4.647 ( 2.143 0.000 1.392) 2.555 4.649 ( 0.819 0.000 2.412) 2.547 4.906 ( -0.850 0.000 0.329) 0.911 4.963 ( -1.677 0.000 0.109) 1.681 4.993 ( -4.353 0.000 0.376) 4.369 5.038 ( -0.651 0.000 -2.101) 2.199 5.086 ( -2.947 0.000 -0.829) 3.061 5.106 ( 1.348 0.000 1.380) 1.929 5.255 ( 0.840 0.000 -0.557) 1.008 5.300 ( 0.391 0.000 0.724) 0.823 5.321 ( 1.189 0.000 -1.305) 1.765 5.408 ( -0.123 0.000 -2.107) 2.110 5.472 ( -2.471 0.000 -2.536) 3.541 5.601 ( -0.981 0.000 -0.754) 1.237 5.606 ( -1.909 0.000 3.582) 4.059 5.818 ( 0.413 0.000 6.498) 6.511 6.121 ( -3.611 0.000 -2.960) 4.669 6.325 ( 2.533 0.000 6.276) 6.768 6.433 ( -2.805 0.000 -2.153) 3.536 6.884 ( -1.321 0.000 1.085) 1.710 7.127 ( -5.591 0.000 -1.615) 5.820 7.711 ( -11.437 0.000 21.834) 24.648 7.761 ( 1.563 0.000 -3.615) 3.938 7.948 ( 3.038 0.000 2.692) 4.060 8.009 ( 1.235 0.000 1.169) 1.700 8.064 ( -2.307 0.000 -0.493) 2.359 8.118 ( 1.169 0.000 -0.499) 1.271 8.313 ( 12.355 0.000 -20.456) 23.898 8.451 ( 2.347 0.000 1.757) 2.932 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 15.554 0.000 1.542) 15.630 0.648 ( 10.620 0.000 12.207) 16.180 0.688 ( 1.034 0.000 -12.781) 12.822 0.850 ( -5.619 0.000 -2.672) 6.222 1.025 ( 3.383 0.000 -1.658) 3.767 1.115 ( 5.534 0.000 -6.092) 8.230 1.159 ( 9.716 0.000 9.858) 13.841 1.228 ( 2.260 0.000 -3.431) 4.108 1.237 ( -3.380 0.000 1.008) 3.527 1.346 ( 2.408 0.000 2.257) 3.300 1.445 ( 3.413 0.000 7.145) 7.918 1.549 ( 3.563 0.000 8.542) 9.255 1.597 ( -6.061 0.000 -3.296) 6.900 1.793 ( -1.917 0.000 -4.230) 4.644 1.937 ( -2.246 0.000 -2.034) 3.030 2.055 ( -5.256 0.000 0.929) 5.338 2.190 ( 1.178 0.000 -8.015) 8.101 2.248 ( 4.226 0.000 6.367) 7.641 2.291 ( -3.732 0.000 -2.449) 4.464 2.412 ( -1.502 0.000 3.546) 3.851 2.503 ( 1.422 0.000 -3.779) 4.038 2.510 ( -0.616 0.000 -1.198) 1.347 2.573 ( 0.264 0.000 2.009) 2.026 2.642 ( 0.727 0.000 0.843) 1.113 2.688 ( -0.678 0.000 -4.923) 4.969 2.753 ( 1.624 0.000 1.080) 1.950 2.784 ( -2.503 0.000 -1.730) 3.043 2.820 ( -5.818 0.000 -1.705) 6.063 2.832 ( -3.643 0.000 -4.177) 5.543 2.895 ( 2.355 0.000 -0.314) 2.376 2.948 ( 3.176 0.000 6.558) 7.287 3.008 ( 6.957 0.000 1.827) 7.193 3.061 ( 3.233 0.000 -2.542) 4.112 3.078 ( 1.370 0.000 -3.400) 3.665 3.159 ( 6.281 0.000 -2.038) 6.603 3.239 ( 1.873 0.000 -1.003) 2.125 3.380 ( -0.965 0.000 -0.433) 1.058 3.399 ( 1.982 0.000 2.598) 3.267 3.427 ( -2.441 0.000 0.130) 2.444 3.608 ( 1.377 0.000 0.389) 1.431 3.643 ( -1.147 0.000 -3.641) 3.817 3.647 ( 1.137 0.000 1.023) 1.529 3.713 ( -2.268 0.000 -0.610) 2.349 3.785 ( -3.549 0.000 0.055) 3.549 3.789 ( -0.482 0.000 -1.545) 1.618 3.892 ( 1.820 0.000 2.343) 2.967 3.922 ( 3.032 0.000 7.360) 7.960 3.999 ( -3.286 0.000 -0.938) 3.418 4.126 ( 3.021 0.000 2.415) 3.867 4.184 ( -0.473 0.000 -2.998) 3.035 4.338 ( 0.871 0.000 3.247) 3.362 4.443 ( -1.514 0.000 -3.492) 3.806 4.546 ( -4.172 0.000 0.366) 4.189 4.547 ( 3.998 0.000 0.771) 4.072 4.592 ( 0.728 0.000 3.224) 3.305 4.689 ( 0.975 0.000 1.648) 1.915 4.689 ( 2.079 0.000 0.312) 2.102 4.878 ( -1.331 0.000 -0.793) 1.549 4.925 ( -3.704 0.000 0.575) 3.748 4.962 ( -0.648 0.000 2.904) 2.975 5.002 ( -0.681 0.000 -2.884) 2.964 5.013 ( -3.004 0.000 -2.400) 3.845 5.145 ( 1.662 0.000 1.081) 1.983 5.269 ( -0.026 0.000 -0.028) 0.038 5.303 ( -0.071 0.000 -0.747) 0.750 5.311 ( 1.132 0.000 -3.955) 4.114 5.377 ( -0.989 0.000 -2.498) 2.687 5.411 ( -2.089 0.000 -1.460) 2.548 5.571 ( -1.433 0.000 -0.708) 1.598 5.601 ( -0.855 0.000 0.926) 1.260 5.884 ( -1.136 0.000 7.770) 7.853 6.024 ( -4.662 0.000 -3.835) 6.037 6.357 ( -2.801 0.000 -2.728) 3.910 6.409 ( 1.438 0.000 4.346) 4.578 6.867 ( -2.088 0.000 1.380) 2.503 7.001 ( -6.305 0.000 -2.235) 6.689 7.734 ( -3.235 0.000 9.359) 9.902 7.756 ( 2.835 0.000 -5.156) 5.883 8.021 ( -2.377 0.000 0.233) 2.388 8.026 ( 3.481 0.000 0.886) 3.592 8.048 ( 1.337 0.000 2.405) 2.752 8.139 ( 1.997 0.000 -0.894) 2.188 8.341 ( 6.151 0.000 -7.446) 9.658 8.509 ( 1.840 0.000 2.345) 2.981 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 4.580 0.000 -6.915) 8.295 0.721 ( -5.013 0.000 1.187) 5.152 0.836 ( 11.361 0.000 1.381) 11.445 0.958 ( 10.916 0.000 8.717) 13.970 0.980 ( -0.729 0.000 -3.585) 3.658 1.121 ( 4.417 0.000 -9.942) 10.879 1.145 ( -5.962 0.000 1.387) 6.121 1.219 ( -5.267 0.000 -1.596) 5.504 1.257 ( 1.508 0.000 1.071) 1.850 1.448 ( -5.308 0.000 -3.529) 6.374 1.531 ( 5.134 0.000 6.400) 8.205 1.589 ( 1.613 0.000 6.860) 7.047 1.742 ( 9.362 0.000 10.597) 14.140 1.779 ( 2.721 0.000 0.405) 2.751 1.928 ( 1.315 0.000 -0.436) 1.385 1.977 ( -4.944 0.000 2.370) 5.483 2.112 ( -1.048 0.000 -9.617) 9.674 2.201 ( -2.256 0.000 -4.288) 4.845 2.290 ( -1.898 0.000 1.656) 2.519 2.446 ( 0.131 0.000 -3.175) 3.177 2.475 ( -0.682 0.000 2.688) 2.773 2.497 ( 1.367 0.000 -2.878) 3.186 2.568 ( -1.313 0.000 1.064) 1.690 2.630 ( -0.503 0.000 -3.104) 3.144 2.676 ( 1.795 0.000 0.581) 1.886 2.707 ( -4.820 0.000 -2.384) 5.378 2.744 ( -2.420 0.000 0.616) 2.497 2.752 ( -0.172 0.000 -0.535) 0.562 2.770 ( -0.063 0.000 -2.161) 2.162 2.928 ( 1.580 0.000 -0.460) 1.646 3.014 ( -2.367 0.000 3.321) 4.078 3.088 ( 3.465 0.000 -2.163) 4.085 3.103 ( 2.431 0.000 0.869) 2.582 3.137 ( 4.646 0.000 2.595) 5.321 3.277 ( 6.518 0.000 3.822) 7.556 3.280 ( 2.831 0.000 -0.221) 2.840 3.358 ( 0.190 0.000 -2.119) 2.127 3.393 ( -1.099 0.000 -0.190) 1.115 3.461 ( 1.631 0.000 3.122) 3.523 3.583 ( -2.864 0.000 -2.506) 3.806 3.598 ( -0.922 0.000 -1.791) 2.014 3.641 ( -1.762 0.000 -0.270) 1.783 3.691 ( -0.420 0.000 1.442) 1.502 3.744 ( -1.016 0.000 0.091) 1.020 3.769 ( -0.871 0.000 -0.452) 0.982 3.884 ( -5.711 0.000 -5.950) 8.248 3.957 ( 2.565 0.000 3.747) 4.541 4.053 ( 2.832 0.000 5.378) 6.078 4.149 ( 0.542 0.000 -2.737) 2.790 4.202 ( 2.748 0.000 3.024) 4.086 4.376 ( -1.719 0.000 -4.828) 5.125 4.395 ( 1.602 0.000 4.004) 4.313 4.503 ( -1.638 0.000 1.071) 1.957 4.582 ( -2.101 0.000 0.592) 2.182 4.634 ( 3.636 0.000 0.183) 3.641 4.716 ( -0.662 0.000 2.906) 2.980 4.724 ( 1.548 0.000 0.496) 1.626 4.869 ( 0.533 0.000 0.436) 0.689 4.890 ( -0.709 0.000 0.167) 0.729 4.951 ( -1.704 0.000 -1.531) 2.291 4.964 ( -0.363 0.000 -1.202) 1.256 4.979 ( -0.630 0.000 0.109) 0.640 5.173 ( -5.781 0.000 -6.287) 8.541 5.173 ( 0.724 0.000 0.523) 0.893 5.305 ( 1.244 0.000 0.247) 1.268 5.343 ( 3.831 0.000 -1.092) 3.983 5.352 ( -0.139 0.000 -0.848) 0.859 5.375 ( -1.425 0.000 -0.620) 1.554 5.548 ( -0.848 0.000 0.083) 0.852 5.606 ( 0.845 0.000 0.656) 1.070 5.893 ( -5.918 0.000 -4.070) 7.182 5.910 ( -2.688 0.000 4.918) 5.605 6.306 ( -0.795 0.000 -1.382) 1.595 6.454 ( 0.448 0.000 2.253) 2.297 6.844 ( -1.668 0.000 0.815) 1.856 6.898 ( -3.585 0.000 -1.209) 3.783 7.762 ( 2.584 0.000 -3.608) 4.438 7.767 ( -0.664 0.000 4.233) 4.285 7.990 ( -1.622 0.000 0.518) 1.703 8.070 ( 1.566 0.000 0.011) 1.566 8.092 ( 1.251 0.000 1.422) 1.894 8.164 ( 1.637 0.000 -0.588) 1.739 8.376 ( 3.130 0.000 -2.383) 3.933 8.548 ( 0.576 0.000 1.564) 1.667 ======================= Grid point 4 (5/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 0.000 0.000) 0.000 0.681 ( 0.000 0.000 0.000) 0.000 0.919 ( 0.000 0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.101 ( -0.000 0.000 -0.000) 0.000 1.101 ( 0.000 0.000 0.000) 0.000 1.120 ( 0.000 0.000 0.000) 0.000 1.166 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.336 ( -0.000 0.000 -0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.932 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 -0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.423 ( -0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 -0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 -0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.410 ( -0.000 0.000 -0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.613 ( -0.000 0.000 0.000) 0.000 3.728 ( -0.000 0.000 -0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 -0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 -0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.497 ( -0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.705 ( -0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.905 ( -0.000 0.000 -0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 5.053 ( -0.000 0.000 -0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.336 ( -0.000 0.000 -0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 -0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 5.904 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.832 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 7.769 ( 0.000 0.000 0.000) 0.000 7.782 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.110 ( 0.000 0.000 -0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.392 ( 0.000 0.000 0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.148 ( 0.000 8.214 0.000) 8.214 0.349 ( 0.000 17.196 0.000) 17.196 0.625 ( 0.000 29.683 0.000) 29.683 0.984 ( 0.000 -3.039 0.000) 3.039 1.029 ( 0.000 -2.019 0.000) 2.019 1.044 ( 0.000 -0.915 0.000) 0.915 1.072 ( 0.000 -2.797 0.000) 2.797 1.145 ( 0.000 2.031 0.000) 2.031 1.267 ( 0.000 1.570 0.000) 1.570 1.288 ( 0.000 -0.437 0.000) 0.437 1.328 ( 0.000 -0.843 0.000) 0.843 1.370 ( 0.000 -0.710 0.000) 0.710 1.757 ( 0.000 -7.647 0.000) 7.647 1.939 ( 0.000 -7.851 0.000) 7.851 1.996 ( 0.000 0.312 0.000) 0.312 2.088 ( 0.000 1.598 0.000) 1.598 2.133 ( 0.000 0.510 0.000) 0.510 2.221 ( 0.000 3.057 0.000) 3.057 2.399 ( 0.000 -2.865 0.000) 2.865 2.475 ( 0.000 6.744 0.000) 6.744 2.491 ( 0.000 -3.981 0.000) 3.981 2.515 ( 0.000 1.941 0.000) 1.941 2.590 ( 0.000 -2.210 0.000) 2.210 2.658 ( 0.000 -1.286 0.000) 1.286 2.660 ( 0.000 2.538 0.000) 2.538 2.675 ( 0.000 2.850 0.000) 2.850 2.683 ( 0.000 -0.367 0.000) 0.367 2.821 ( 0.000 1.435 0.000) 1.435 2.869 ( 0.000 1.020 0.000) 1.020 2.916 ( 0.000 1.847 0.000) 1.847 2.917 ( 0.000 2.203 0.000) 2.203 2.932 ( 0.000 2.211 0.000) 2.211 2.985 ( 0.000 -4.175 0.000) 4.175 3.073 ( 0.000 0.033 0.000) 0.033 3.151 ( 0.000 1.428 0.000) 1.428 3.336 ( 0.000 -1.449 0.000) 1.449 3.371 ( 0.000 0.691 0.000) 0.691 3.373 ( 0.000 0.354 0.000) 0.354 3.410 ( 0.000 -0.594 0.000) 0.594 3.550 ( 0.000 2.136 0.000) 2.136 3.564 ( 0.000 2.963 0.000) 2.963 3.700 ( 0.000 -0.212 0.000) 0.212 3.755 ( 0.000 -0.148 0.000) 0.148 3.795 ( 0.000 4.343 0.000) 4.343 3.827 ( 0.000 -0.147 0.000) 0.147 3.904 ( 0.000 3.328 0.000) 3.328 3.927 ( 0.000 -0.074 0.000) 0.074 4.086 ( 0.000 0.246 0.000) 0.246 4.166 ( 0.000 0.243 0.000) 0.243 4.220 ( 0.000 -0.830 0.000) 0.830 4.271 ( 0.000 -3.213 0.000) 3.213 4.427 ( 0.000 -0.990 0.000) 0.990 4.463 ( 0.000 -0.022 0.000) 0.022 4.536 ( 0.000 0.373 0.000) 0.373 4.556 ( 0.000 2.692 0.000) 2.692 4.619 ( 0.000 -0.555 0.000) 0.555 4.752 ( 0.000 0.238 0.000) 0.238 4.908 ( 0.000 -0.241 0.000) 0.241 4.913 ( 0.000 -1.690 0.000) 1.690 4.945 ( 0.000 -4.127 0.000) 4.127 4.999 ( 0.000 1.366 0.000) 1.366 5.052 ( 0.000 -2.478 0.000) 2.478 5.107 ( 0.000 1.114 0.000) 1.114 5.241 ( 0.000 -3.984 0.000) 3.984 5.300 ( 0.000 2.431 0.000) 2.431 5.313 ( 0.000 -0.494 0.000) 0.494 5.422 ( 0.000 0.628 0.000) 0.628 5.497 ( 0.000 -1.420 0.000) 1.420 5.587 ( 0.000 -1.945 0.000) 1.945 5.689 ( 0.000 0.547 0.000) 0.547 5.831 ( 0.000 0.964 0.000) 0.964 6.141 ( 0.000 -1.711 0.000) 1.711 6.235 ( 0.000 0.682 0.000) 0.682 6.447 ( 0.000 -2.160 0.000) 2.160 7.213 ( 0.000 3.598 0.000) 3.598 7.439 ( 0.000 1.465 0.000) 1.465 7.497 ( 0.000 -0.185 0.000) 0.185 7.756 ( 0.000 -3.148 0.000) 3.148 7.930 ( 0.000 2.192 0.000) 2.192 7.982 ( 0.000 0.445 0.000) 0.445 7.990 ( 0.000 0.072 0.000) 0.072 8.102 ( 0.000 -0.654 0.000) 0.654 8.106 ( 0.000 1.128 0.000) 1.128 8.390 ( 0.000 -2.699 0.000) 2.699 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 16.288 3.911 -1.551) 16.822 0.429 ( 7.594 11.156 5.011) 14.396 0.810 ( 7.089 12.014 1.297) 14.010 0.927 ( 5.677 9.463 -0.821) 11.066 0.990 ( -1.891 0.606 -3.588) 4.100 1.028 ( 0.046 -2.606 0.997) 2.791 1.100 ( -0.514 -2.491 0.453) 2.583 1.222 ( -0.989 -0.027 -3.452) 3.591 1.240 ( 5.226 0.173 7.901) 9.474 1.319 ( 3.063 0.220 -5.573) 6.363 1.334 ( 1.049 0.108 6.843) 6.924 1.426 ( 2.597 0.167 3.396) 4.278 1.772 ( 0.391 -3.838 -0.401) 3.879 1.849 ( -7.524 -1.207 -4.780) 8.995 1.901 ( -4.662 -6.357 -3.258) 8.530 2.107 ( 0.559 -3.038 -1.414) 3.397 2.134 ( 0.646 2.050 -1.937) 2.893 2.237 ( 0.687 2.484 2.896) 3.877 2.368 ( -4.950 -2.225 -1.636) 5.669 2.449 ( 0.121 -0.008 1.410) 1.415 2.497 ( 0.660 1.262 -2.691) 3.044 2.508 ( 0.453 4.414 2.393) 5.041 2.597 ( 3.815 -0.031 0.109) 3.817 2.628 ( 0.419 0.551 1.228) 1.410 2.659 ( -0.763 0.297 -0.673) 1.060 2.706 ( 2.444 -1.356 -3.625) 4.577 2.757 ( 3.534 -0.217 2.983) 4.629 2.839 ( 0.402 -0.178 1.207) 1.285 2.856 ( -1.867 1.480 1.029) 2.595 2.903 ( -0.653 0.253 -2.810) 2.896 2.932 ( 0.770 0.663 1.019) 1.439 2.959 ( -0.196 -3.244 -1.718) 3.676 3.019 ( 5.411 0.012 -2.984) 6.179 3.096 ( 2.460 0.760 -2.556) 3.628 3.145 ( 0.636 2.750 -1.750) 3.322 3.231 ( -3.370 -3.477 -6.878) 8.411 3.380 ( -0.292 0.193 5.181) 5.192 3.392 ( 0.369 2.788 0.971) 2.975 3.455 ( 0.226 0.275 2.502) 2.527 3.556 ( 0.823 0.504 0.363) 1.031 3.618 ( 3.930 2.210 1.553) 4.769 3.695 ( -0.300 0.190 -2.371) 2.397 3.752 ( -2.846 0.484 2.185) 3.620 3.803 ( 0.708 1.579 1.826) 2.515 3.829 ( -1.341 1.927 -2.295) 3.283 3.849 ( 1.194 0.369 0.974) 1.585 4.010 ( -1.381 2.259 -2.097) 3.378 4.032 ( 1.343 3.772 1.156) 4.167 4.096 ( -1.792 1.846 0.200) 2.580 4.234 ( -0.106 1.056 -0.692) 1.267 4.285 ( 0.521 -1.835 -0.083) 1.910 4.453 ( 1.737 -2.124 -0.606) 2.810 4.481 ( -1.675 -1.271 -0.619) 2.192 4.515 ( 0.799 -2.832 2.473) 3.844 4.575 ( 0.250 1.108 2.484) 2.732 4.661 ( 2.831 1.076 1.951) 3.603 4.718 ( -2.360 2.016 0.856) 3.220 4.898 ( -0.746 -3.087 -0.528) 3.219 4.919 ( -2.356 -0.370 0.294) 2.403 4.978 ( -1.162 -1.875 3.117) 3.819 5.011 ( 1.470 -2.628 1.284) 3.273 5.063 ( 2.089 -1.973 -2.329) 3.699 5.076 ( -2.483 0.537 -0.665) 2.626 5.252 ( 0.200 -4.120 1.106) 4.270 5.274 ( -0.165 0.267 -1.061) 1.106 5.312 ( -2.635 -0.603 -1.306) 3.002 5.413 ( 1.360 1.795 -0.294) 2.271 5.493 ( -0.745 -0.511 -0.941) 1.305 5.566 ( -1.316 -2.031 -2.196) 3.268 5.633 ( -4.093 1.674 0.299) 4.432 5.856 ( 0.924 1.894 4.271) 4.763 6.106 ( -2.367 -1.442 -2.729) 3.890 6.297 ( 3.013 -1.195 4.591) 5.620 6.417 ( -2.233 -1.450 -1.738) 3.179 7.076 ( -9.441 11.214 -5.745) 15.744 7.170 ( -6.593 4.262 -1.720) 8.037 7.657 ( -4.530 -4.297 15.046) 16.290 7.736 ( -0.283 -2.425 -1.113) 2.683 7.961 ( 2.655 1.285 1.154) 3.168 7.992 ( 1.702 -0.825 -1.635) 2.500 8.072 ( 0.112 0.245 -1.452) 1.477 8.114 ( 1.838 0.179 0.401) 1.889 8.203 ( 12.600 -5.233 -6.165) 14.972 8.420 ( 2.397 -3.005 1.222) 4.033 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 11.615 1.471 3.418) 12.197 0.650 ( 11.545 2.357 3.886) 12.408 0.781 ( 2.616 7.722 -6.780) 10.603 0.895 ( -4.447 4.105 -1.658) 6.275 0.983 ( 0.874 -1.930 -3.888) 4.428 1.148 ( 3.501 -0.347 1.440) 3.801 1.177 ( 0.101 -0.224 1.222) 1.247 1.240 ( 3.169 2.609 5.314) 6.715 1.303 ( 3.956 3.621 -3.563) 6.438 1.396 ( 8.142 6.702 2.398) 10.815 1.447 ( 3.187 -0.149 5.854) 6.667 1.496 ( 0.884 -1.311 5.381) 5.609 1.677 ( -3.993 3.433 -1.594) 5.502 1.737 ( -2.132 -3.789 -3.970) 5.888 1.864 ( 0.979 -4.360 2.670) 5.205 2.027 ( -4.222 -3.185 -3.946) 6.599 2.175 ( 1.961 -0.736 -2.331) 3.134 2.246 ( -2.522 -1.610 -1.672) 3.428 2.307 ( 1.578 2.177 2.045) 3.378 2.459 ( -0.290 -2.348 -2.065) 3.140 2.488 ( -3.325 4.955 1.300) 6.107 2.517 ( 2.247 0.516 1.420) 2.708 2.599 ( -1.677 1.578 -0.693) 2.404 2.635 ( -0.392 -1.187 -2.993) 3.244 2.685 ( 1.791 1.738 -0.721) 2.597 2.735 ( 0.949 -0.488 0.221) 1.090 2.797 ( -2.479 -1.679 -2.164) 3.694 2.822 ( -1.083 -0.333 -0.072) 1.135 2.836 ( -0.110 -1.624 0.523) 1.710 2.884 ( 1.558 0.133 1.853) 2.425 2.917 ( 0.842 0.492 -2.834) 2.997 2.982 ( 2.836 -2.255 1.170) 3.807 3.062 ( 0.835 -0.215 0.188) 0.883 3.117 ( 4.245 2.611 -3.047) 5.841 3.162 ( 3.190 0.686 -0.798) 3.359 3.199 ( 2.093 -3.092 0.117) 3.736 3.392 ( -0.943 1.223 1.086) 1.888 3.419 ( 0.756 1.559 1.539) 2.317 3.448 ( -1.649 2.119 -0.200) 2.693 3.569 ( 0.390 -1.933 -0.473) 2.028 3.655 ( -0.530 0.255 -3.206) 3.260 3.688 ( 0.889 3.298 0.653) 3.478 3.715 ( -2.054 0.027 0.692) 2.168 3.794 ( -2.867 -0.575 0.258) 2.936 3.807 ( -1.326 1.846 0.560) 2.341 3.890 ( 2.113 0.141 2.318) 3.140 3.971 ( 0.292 4.103 0.533) 4.148 4.039 ( -2.402 3.338 0.686) 4.170 4.141 ( 3.879 1.538 2.774) 5.011 4.216 ( -1.056 2.792 -1.623) 3.398 4.301 ( 1.470 -2.897 0.685) 3.320 4.433 ( -1.094 -0.868 -2.454) 2.824 4.496 ( 2.173 -3.745 0.193) 4.334 4.534 ( -0.212 -1.282 1.331) 1.860 4.602 ( 0.208 0.750 1.435) 1.632 4.697 ( -0.798 0.931 0.495) 1.322 4.730 ( 1.905 2.428 3.313) 4.527 4.869 ( -1.589 -3.279 0.004) 3.644 4.888 ( -1.644 -0.420 -0.779) 1.868 4.970 ( -2.089 0.253 3.357) 3.961 5.006 ( -2.124 -0.185 -1.349) 2.523 5.008 ( -2.480 0.276 -2.431) 3.484 5.087 ( 2.375 -4.208 -2.994) 5.684 5.243 ( -2.130 -4.300 0.365) 4.813 5.265 ( -0.993 -2.700 0.170) 2.882 5.283 ( 2.280 -0.678 -1.389) 2.755 5.412 ( -0.646 2.121 -2.525) 3.361 5.474 ( -0.390 3.239 0.671) 3.330 5.526 ( -1.513 -2.986 -0.874) 3.459 5.586 ( -1.979 -0.392 -0.004) 2.018 5.913 ( -0.463 1.705 5.519) 5.795 6.020 ( -4.388 -0.652 -3.454) 5.622 6.351 ( -1.933 -0.527 -2.009) 2.837 6.385 ( 1.511 -1.776 3.536) 4.236 6.943 ( -4.561 6.531 -0.384) 7.975 7.038 ( -6.635 3.473 -2.002) 7.752 7.705 ( -1.171 -3.050 6.682) 7.438 7.727 ( 1.218 -2.599 -2.473) 3.789 8.004 ( 1.676 -1.454 -0.849) 2.376 8.016 ( 1.114 0.136 0.198) 1.139 8.062 ( 0.661 1.862 0.766) 2.119 8.159 ( 2.071 1.027 1.410) 2.708 8.302 ( 6.334 -3.314 -4.878) 8.655 8.475 ( 2.031 -3.350 1.676) 4.261 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.669 2.267 1.857) 3.006 0.763 ( 4.386 8.220 -4.708) 10.439 0.884 ( 7.630 3.747 1.579) 8.645 0.925 ( 8.596 -0.474 5.998) 10.493 1.005 ( 3.528 3.398 0.866) 4.974 1.129 ( -4.930 -0.320 2.426) 5.504 1.186 ( -2.888 -0.726 -4.246) 5.186 1.237 ( 2.670 0.413 -0.505) 2.748 1.273 ( -1.510 6.935 -7.972) 10.673 1.407 ( -4.229 -3.894 -5.464) 7.931 1.571 ( 3.051 2.773 4.712) 6.261 1.595 ( 1.634 1.066 7.419) 7.671 1.699 ( 2.549 -5.536 2.033) 6.425 1.796 ( 8.069 2.696 5.601) 10.186 1.909 ( -1.171 -2.407 -4.845) 5.536 1.948 ( -1.016 -0.124 6.778) 6.855 2.146 ( -0.633 2.759 -6.660) 7.236 2.188 ( 0.682 -0.033 -1.188) 1.370 2.354 ( -0.400 3.537 0.910) 3.674 2.433 ( 0.764 -2.555 -2.861) 3.911 2.464 ( -1.919 -0.329 2.899) 3.492 2.533 ( -2.005 2.501 -0.281) 3.218 2.567 ( -0.732 -0.124 -0.085) 0.748 2.596 ( -0.455 0.283 -2.936) 2.985 2.673 ( -2.933 1.542 -2.649) 4.243 2.722 ( 1.035 -0.655 -0.928) 1.537 2.725 ( -0.449 0.415 -0.375) 0.718 2.784 ( -1.489 0.879 -0.982) 1.988 2.858 ( -0.471 6.107 -0.551) 6.150 2.923 ( 1.178 -0.795 0.620) 1.550 2.978 ( 2.296 -4.652 4.395) 6.799 3.023 ( 1.930 -3.466 -1.404) 4.208 3.077 ( 1.660 -1.487 0.193) 2.237 3.172 ( 3.094 1.153 -0.466) 3.335 3.223 ( 3.096 -3.321 0.294) 4.550 3.265 ( 4.204 -1.456 3.511) 5.668 3.378 ( -0.867 1.378 -0.855) 1.839 3.407 ( -0.603 1.191 -1.022) 1.681 3.464 ( 1.149 0.475 2.654) 2.931 3.536 ( -3.866 -1.975 -1.191) 4.501 3.625 ( -0.214 0.037 -2.089) 2.100 3.642 ( -2.408 0.567 -1.768) 3.041 3.717 ( -0.061 1.043 -0.303) 1.088 3.740 ( -2.241 -0.925 0.696) 2.522 3.806 ( -0.973 3.373 2.006) 4.044 3.904 ( -2.580 2.240 -5.778) 6.713 3.977 ( 2.380 2.073 4.305) 5.338 4.081 ( 1.784 2.803 4.650) 5.715 4.172 ( -0.904 2.347 -2.617) 3.629 4.227 ( 3.293 1.916 2.251) 4.425 4.331 ( 0.393 -2.384 -0.704) 2.516 4.403 ( 0.061 -0.662 0.006) 0.665 4.508 ( -0.342 -0.653 -0.283) 0.790 4.538 ( -1.550 -2.599 1.093) 3.218 4.623 ( 2.304 -0.936 -0.663) 2.574 4.680 ( -1.287 -1.169 0.021) 1.739 4.793 ( 1.022 3.686 3.834) 5.415 4.854 ( -0.611 -3.983 -0.857) 4.120 4.861 ( 0.092 -0.528 0.051) 0.539 4.930 ( -2.789 -1.452 -1.865) 3.656 4.963 ( -1.208 0.412 -0.958) 1.596 4.977 ( -0.612 0.123 1.582) 1.701 5.082 ( 1.181 -4.348 -5.487) 7.100 5.190 ( -3.958 -2.441 0.601) 4.689 5.276 ( 1.029 -2.373 1.626) 3.055 5.324 ( 3.222 -1.679 -0.653) 3.691 5.393 ( 0.478 2.513 -0.573) 2.621 5.452 ( -1.676 5.900 -1.595) 6.338 5.514 ( -0.531 -3.124 2.020) 3.758 5.564 ( -0.326 -2.504 -0.809) 2.652 5.880 ( -5.025 -0.506 -3.698) 6.260 5.954 ( -2.140 2.269 3.593) 4.758 6.308 ( -0.758 0.178 -1.432) 1.630 6.432 ( 0.679 -1.983 2.070) 2.945 6.887 ( -2.312 4.080 0.349) 4.702 6.931 ( -3.906 3.122 -1.115) 5.123 7.724 ( 1.824 -3.490 -2.790) 4.826 7.748 ( -0.267 -2.162 3.843) 4.418 8.011 ( -0.666 2.154 0.248) 2.268 8.022 ( 1.145 -2.626 -0.757) 2.963 8.099 ( 1.593 0.822 0.767) 1.950 8.200 ( 1.334 1.785 0.778) 2.360 8.348 ( 3.089 -2.648 -2.051) 4.556 8.512 ( 0.799 -3.454 1.163) 3.731 ======================= Grid point 13 (10/72) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -0.000 3.306 0.000) 3.306 0.782 ( -0.000 10.025 0.000) 10.025 0.978 ( -0.000 1.654 0.000) 1.654 1.064 ( -0.000 9.203 0.000) 9.203 1.088 ( 0.000 -0.694 -0.000) 0.694 1.107 ( -0.000 -2.424 -0.000) 2.424 1.112 ( 0.000 -0.337 0.000) 0.337 1.179 ( 0.000 4.440 0.000) 4.440 1.242 ( 0.000 -1.486 0.000) 1.486 1.311 ( -0.000 -1.804 -0.000) 1.804 1.610 ( 0.000 0.439 0.000) 0.439 1.662 ( 0.000 0.763 0.000) 0.763 1.752 ( -0.000 -3.932 0.000) 3.932 1.860 ( 0.000 -4.469 -0.000) 4.469 1.892 ( -0.000 -3.445 -0.000) 3.445 1.999 ( -0.000 3.827 -0.000) 3.827 2.070 ( 0.000 3.925 0.000) 3.925 2.235 ( -0.000 5.743 -0.000) 5.743 2.342 ( 0.000 3.941 0.000) 3.941 2.422 ( 0.000 -1.158 0.000) 1.158 2.456 ( -0.000 -1.418 0.000) 1.418 2.508 ( 0.000 -0.402 -0.000) 0.402 2.552 ( 0.000 2.632 0.000) 2.632 2.583 ( 0.000 -4.955 0.000) 4.955 2.623 ( 0.000 5.132 0.000) 5.132 2.726 ( 0.000 -0.254 0.000) 0.254 2.748 ( -0.000 -0.414 0.000) 0.414 2.754 ( 0.000 0.737 0.000) 0.737 2.849 ( 0.000 7.386 0.000) 7.386 2.934 ( 0.000 -0.929 0.000) 0.929 2.995 ( 0.000 -0.747 0.000) 0.747 3.050 ( 0.000 -4.348 0.000) 4.348 3.098 ( 0.000 -2.746 0.000) 2.746 3.196 ( 0.000 -0.252 0.000) 0.252 3.250 ( 0.000 -4.374 0.000) 4.374 3.355 ( 0.000 1.440 0.000) 1.440 3.392 ( -0.000 -1.406 -0.000) 1.406 3.401 ( -0.000 0.998 0.000) 0.998 3.424 ( 0.000 -5.123 0.000) 5.123 3.510 ( 0.000 0.232 0.000) 0.232 3.604 ( 0.000 1.819 -0.000) 1.819 3.613 ( -0.000 0.061 0.000) 0.061 3.712 ( -0.000 -1.576 0.000) 1.576 3.734 ( 0.000 -2.171 -0.000) 2.171 3.813 ( 0.000 3.619 -0.000) 3.619 3.827 ( 0.000 7.306 0.000) 7.306 4.054 ( -0.000 3.108 -0.000) 3.108 4.074 ( 0.000 1.539 0.000) 1.539 4.179 ( 0.000 1.356 0.000) 1.356 4.285 ( 0.000 2.223 0.000) 2.223 4.294 ( -0.000 -1.641 -0.000) 1.641 4.428 ( 0.000 -2.046 0.000) 2.046 4.492 ( 0.000 -1.345 0.000) 1.345 4.522 ( -0.000 -0.794 0.000) 0.794 4.651 ( 0.000 -2.341 0.000) 2.341 4.662 ( 0.000 -2.391 0.000) 2.391 4.816 ( 0.000 4.144 0.000) 4.144 4.842 ( 0.000 -4.732 0.000) 4.732 4.880 ( -0.000 -1.503 -0.000) 1.503 4.885 ( 0.000 -0.872 0.000) 0.872 4.953 ( 0.000 0.206 0.000) 0.206 5.000 ( 0.000 -0.199 0.000) 0.199 5.030 ( 0.000 -2.114 -0.000) 2.114 5.161 ( 0.000 -2.000 0.000) 2.000 5.298 ( 0.000 -2.489 0.000) 2.489 5.354 ( 0.000 -1.894 0.000) 1.894 5.404 ( -0.000 3.579 -0.000) 3.579 5.422 ( 0.000 4.709 0.000) 4.709 5.525 ( 0.000 -0.913 0.000) 0.913 5.557 ( 0.000 -5.157 0.000) 5.157 5.802 ( 0.000 -0.017 0.000) 0.017 5.952 ( 0.000 2.843 0.000) 2.843 6.297 ( 0.000 0.114 0.000) 0.114 6.447 ( 0.000 -1.956 0.000) 1.956 6.870 ( 0.000 3.566 0.000) 3.566 6.892 ( 0.000 2.872 0.000) 2.872 7.728 ( 0.000 -3.732 0.000) 3.732 7.765 ( 0.000 -2.085 0.000) 2.085 8.006 ( 0.000 2.647 0.000) 2.647 8.029 ( 0.000 -2.816 0.000) 2.816 8.116 ( 0.000 0.561 0.000) 0.561 8.215 ( 0.000 2.017 0.000) 2.017 8.365 ( 0.000 -2.626 0.000) 2.626 8.524 ( 0.000 -3.432 0.000) 3.432 ======================= Grid point 18 (11/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 0.000 10.245 0.000) 10.245 0.672 ( 0.000 14.842 0.000) 14.842 0.915 ( 0.000 -4.417 0.000) 4.417 0.964 ( 0.000 -4.132 0.000) 4.132 0.995 ( 0.000 -0.708 0.000) 0.708 1.044 ( 0.000 1.306 0.000) 1.306 1.137 ( 0.000 13.028 0.000) 13.028 1.173 ( 0.000 1.821 0.000) 1.821 1.299 ( 0.000 0.919 0.000) 0.919 1.305 ( 0.000 4.510 0.000) 4.510 1.332 ( 0.000 2.059 0.000) 2.059 1.356 ( 0.000 -0.269 0.000) 0.269 1.595 ( 0.000 -7.602 0.000) 7.602 1.799 ( 0.000 -4.798 0.000) 4.798 2.000 ( 0.000 -5.761 0.000) 5.761 2.001 ( 0.000 -1.231 0.000) 1.231 2.262 ( 0.000 5.322 0.000) 5.322 2.264 ( 0.000 1.661 0.000) 1.661 2.313 ( 0.000 -2.883 0.000) 2.883 2.393 ( 0.000 -4.866 0.000) 4.866 2.512 ( 0.000 -1.126 0.000) 1.126 2.545 ( 0.000 0.708 0.000) 0.708 2.596 ( 0.000 0.689 0.000) 0.689 2.637 ( 0.000 -2.255 0.000) 2.255 2.717 ( 0.000 4.242 0.000) 4.242 2.741 ( 0.000 4.559 0.000) 4.559 2.748 ( 0.000 3.742 0.000) 3.742 2.829 ( 0.000 0.582 0.000) 0.582 2.885 ( 0.000 0.496 0.000) 0.496 2.922 ( 0.000 0.806 0.000) 0.806 2.928 ( 0.000 -0.604 0.000) 0.604 2.978 ( 0.000 2.329 0.000) 2.329 2.996 ( 0.000 1.955 0.000) 1.955 3.078 ( 0.000 0.677 0.000) 0.677 3.118 ( 0.000 -3.217 0.000) 3.217 3.269 ( 0.000 -4.181 0.000) 4.181 3.404 ( 0.000 2.136 0.000) 2.136 3.421 ( 0.000 4.595 0.000) 4.595 3.448 ( 0.000 2.645 0.000) 2.645 3.607 ( 0.000 2.776 0.000) 2.776 3.626 ( 0.000 3.109 0.000) 3.109 3.706 ( 0.000 0.891 0.000) 0.891 3.747 ( 0.000 -0.556 0.000) 0.556 3.812 ( 0.000 -1.696 0.000) 1.696 3.877 ( 0.000 3.358 0.000) 3.358 3.926 ( 0.000 0.029 0.000) 0.029 3.987 ( 0.000 4.554 0.000) 4.554 4.071 ( 0.000 -0.605 0.000) 0.605 4.171 ( 0.000 -3.977 0.000) 3.977 4.210 ( 0.000 3.339 0.000) 3.339 4.215 ( 0.000 -2.103 0.000) 2.103 4.410 ( 0.000 -1.017 0.000) 1.017 4.473 ( 0.000 0.989 0.000) 0.989 4.516 ( 0.000 -2.443 0.000) 2.443 4.602 ( 0.000 2.113 0.000) 2.113 4.617 ( 0.000 1.227 0.000) 1.227 4.761 ( 0.000 0.510 0.000) 0.510 4.838 ( 0.000 -4.419 0.000) 4.419 4.890 ( 0.000 -1.633 0.000) 1.633 4.908 ( 0.000 -1.181 0.000) 1.181 5.006 ( 0.000 -1.663 0.000) 1.663 5.033 ( 0.000 1.748 0.000) 1.748 5.114 ( 0.000 -0.219 0.000) 0.219 5.147 ( 0.000 -4.898 0.000) 4.898 5.279 ( 0.000 -2.738 0.000) 2.738 5.289 ( 0.000 -2.680 0.000) 2.680 5.443 ( 0.000 -0.046 0.000) 0.046 5.466 ( 0.000 -1.517 0.000) 1.517 5.583 ( 0.000 2.401 0.000) 2.401 5.700 ( 0.000 0.362 0.000) 0.362 5.863 ( 0.000 2.308 0.000) 2.308 6.088 ( 0.000 -3.605 0.000) 3.605 6.257 ( 0.000 1.553 0.000) 1.553 6.395 ( 0.000 -2.774 0.000) 2.774 7.302 ( 0.000 4.929 0.000) 4.929 7.479 ( 0.000 2.486 0.000) 2.486 7.488 ( 0.000 -0.816 0.000) 0.816 7.682 ( 0.000 -4.098 0.000) 4.098 7.971 ( 0.000 1.495 0.000) 1.495 7.992 ( 0.000 0.448 0.000) 0.448 8.007 ( 0.000 1.851 0.000) 1.851 8.088 ( 0.000 -0.681 0.000) 0.681 8.132 ( 0.000 1.545 0.000) 1.545 8.321 ( 0.000 -4.070 0.000) 4.070 ======================= Grid point 19 (12/72) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 12.649 6.840 -2.297) 14.562 0.699 ( 2.706 14.005 0.425) 14.271 0.924 ( -1.580 0.328 -0.835) 1.817 0.942 ( 3.387 -2.068 -1.132) 4.127 0.988 ( 0.443 0.542 -0.369) 0.791 1.053 ( 1.524 -1.038 -1.068) 2.131 1.206 ( 1.053 3.454 2.671) 4.492 1.250 ( 3.722 6.490 -0.204) 7.485 1.288 ( 2.150 0.630 5.113) 5.583 1.310 ( 1.435 -1.318 -1.819) 2.666 1.361 ( 3.260 6.279 5.871) 9.194 1.425 ( 5.585 0.677 0.114) 5.627 1.626 ( 1.279 -6.967 3.591) 7.942 1.780 ( -2.186 -2.055 0.799) 3.105 1.890 ( -4.817 -0.235 -5.866) 7.594 2.029 ( 1.683 -4.196 -3.808) 5.911 2.210 ( -1.788 3.977 -2.899) 5.236 2.265 ( -4.185 -1.827 2.149) 5.047 2.303 ( 0.997 0.128 -1.910) 2.158 2.409 ( 1.267 -3.428 1.392) 3.911 2.530 ( 0.873 0.504 0.511) 1.130 2.543 ( 2.182 -0.453 -1.225) 2.543 2.586 ( -0.828 -0.535 1.017) 1.416 2.640 ( 0.393 0.035 -2.512) 2.543 2.684 ( -1.245 3.122 -0.442) 3.390 2.739 ( 0.932 2.696 -0.690) 2.935 2.792 ( 0.838 2.771 0.583) 2.953 2.818 ( -0.144 -1.350 -1.796) 2.251 2.881 ( -1.735 -0.192 1.045) 2.034 2.900 ( -1.206 -0.362 -2.269) 2.595 2.932 ( 0.114 0.524 0.911) 1.057 2.948 ( -1.221 2.211 0.851) 2.665 3.032 ( 1.483 0.566 0.914) 1.832 3.116 ( 0.932 -3.014 -1.480) 3.485 3.120 ( 3.258 1.456 -0.647) 3.627 3.213 ( -1.447 -0.462 -4.200) 4.466 3.415 ( 0.092 3.261 3.885) 5.073 3.451 ( -0.257 2.438 1.317) 2.783 3.475 ( 1.766 2.048 2.555) 3.721 3.574 ( -1.968 1.508 -0.814) 2.610 3.672 ( 3.222 1.955 1.104) 3.928 3.702 ( -0.230 0.997 -1.120) 1.517 3.762 ( -0.212 -0.158 0.834) 0.875 3.794 ( -3.560 -1.848 0.675) 4.068 3.862 ( -0.253 1.006 0.021) 1.037 3.886 ( -0.721 2.506 -1.643) 3.083 4.041 ( -0.158 1.414 0.299) 1.454 4.073 ( 4.110 1.295 2.080) 4.785 4.143 ( -2.755 2.157 -0.552) 3.542 4.214 ( 1.568 -2.798 -0.128) 3.210 4.267 ( 2.177 0.533 0.805) 2.382 4.415 ( 1.801 -1.614 -1.956) 3.110 4.469 ( -2.585 -1.137 -2.106) 3.522 4.480 ( -0.136 0.034 2.246) 2.250 4.596 ( 0.209 0.944 0.470) 1.075 4.685 ( 3.405 1.605 3.200) 4.941 4.736 ( -2.254 -0.172 1.063) 2.498 4.828 ( -1.989 -3.081 -0.770) 3.748 4.905 ( 2.133 -2.475 0.939) 3.399 4.931 ( -0.205 -1.340 2.015) 2.428 4.998 ( -1.630 -1.119 1.850) 2.707 5.026 ( 0.317 0.518 -1.783) 1.884 5.098 ( -1.309 0.838 -1.615) 2.241 5.158 ( -0.223 -4.853 2.262) 5.360 5.242 ( -1.746 -2.969 -1.780) 3.877 5.285 ( -1.311 -2.383 -1.472) 3.093 5.426 ( -0.054 -0.768 -0.705) 1.044 5.456 ( -1.171 -2.548 -1.427) 3.146 5.581 ( -0.590 3.351 -0.064) 3.403 5.664 ( -3.734 1.313 0.476) 3.986 5.884 ( 1.222 1.386 2.382) 3.015 6.061 ( -1.695 -3.073 -2.272) 4.181 6.290 ( 1.896 0.425 2.516) 3.179 6.382 ( -0.990 -1.906 -0.812) 2.296 7.229 ( -6.413 5.368 -3.378) 9.019 7.278 ( -9.245 5.123 -4.274) 11.400 7.587 ( -0.347 -2.281 6.987) 7.358 7.673 ( -0.656 -3.550 0.019) 3.611 7.979 ( 1.840 0.823 -1.246) 2.369 8.015 ( 1.486 2.582 0.023) 2.980 8.063 ( 3.824 -0.867 -0.743) 3.991 8.135 ( 0.745 1.555 0.527) 1.803 8.138 ( 5.749 -1.933 0.040) 6.065 8.343 ( 2.119 -4.461 0.494) 4.963 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 11.869 3.784 -1.644) 12.566 0.775 ( 5.103 9.578 2.435) 11.122 0.911 ( -0.409 1.823 1.391) 2.330 0.989 ( -0.700 4.652 -0.037) 4.705 1.017 ( 6.949 6.361 -0.938) 9.467 1.111 ( 5.032 -2.068 1.788) 5.727 1.168 ( -1.556 -0.273 -2.591) 3.035 1.251 ( -2.554 0.403 -2.342) 3.489 1.345 ( 4.723 -0.083 -1.712) 5.024 1.439 ( 3.919 -1.023 6.792) 7.908 1.490 ( 3.266 -1.450 6.839) 7.717 1.511 ( 4.140 -0.450 -5.752) 7.102 1.667 ( -0.649 4.423 3.789) 5.860 1.770 ( -0.414 2.796 -3.562) 4.547 1.830 ( 4.451 0.616 6.213) 7.668 1.982 ( -1.957 -0.891 -5.671) 6.065 2.167 ( 0.115 0.949 -3.238) 3.376 2.216 ( -1.730 -1.103 1.531) 2.560 2.322 ( 2.219 -1.386 -0.518) 2.667 2.408 ( -2.337 -1.831 0.282) 2.982 2.536 ( -1.278 0.182 0.674) 1.456 2.562 ( 0.519 2.097 -0.424) 2.201 2.616 ( 0.588 0.134 -1.248) 1.386 2.645 ( -0.182 -0.579 1.948) 2.040 2.675 ( 4.776 0.422 -0.205) 4.799 2.744 ( 0.788 1.226 -2.081) 2.540 2.765 ( -2.286 -0.689 -1.600) 2.874 2.783 ( -2.219 -1.699 -2.561) 3.791 2.837 ( -1.250 -0.207 -2.467) 2.774 2.875 ( -1.159 -0.577 2.136) 2.498 2.945 ( 0.405 -0.688 1.761) 1.933 2.959 ( 1.121 2.042 -0.006) 2.330 3.055 ( -0.297 -0.280 1.491) 1.546 3.129 ( 1.778 -2.091 -0.034) 2.745 3.148 ( 2.897 0.903 -3.849) 4.901 3.209 ( 1.448 1.777 1.941) 3.004 3.434 ( -1.170 3.048 2.072) 3.867 3.456 ( -0.969 2.176 0.852) 2.530 3.499 ( -1.075 2.625 0.161) 2.841 3.551 ( 0.562 0.063 -0.668) 0.875 3.654 ( -1.398 -0.446 -2.734) 3.103 3.708 ( -4.894 -1.315 -1.488) 5.282 3.727 ( -1.007 -1.155 0.497) 1.611 3.769 ( 0.449 0.422 -0.445) 0.760 3.849 ( -1.093 1.859 1.697) 2.744 3.893 ( 1.007 -0.338 2.172) 2.418 4.049 ( 0.281 3.626 -0.786) 3.721 4.107 ( -0.593 3.201 2.208) 3.934 4.176 ( 3.859 1.288 3.099) 5.114 4.242 ( 2.613 -1.799 -0.642) 3.237 4.274 ( -0.661 1.852 -1.689) 2.592 4.409 ( -0.503 -1.567 -2.087) 2.657 4.445 ( 2.062 -0.763 -1.479) 2.649 4.509 ( 0.443 -0.809 2.592) 2.751 4.609 ( 0.288 -0.032 0.286) 0.407 4.709 ( -1.546 0.303 0.058) 1.576 4.765 ( 1.801 -0.201 2.848) 3.376 4.788 ( -0.818 -2.364 -1.014) 2.699 4.907 ( -2.365 0.777 1.208) 2.767 4.940 ( -1.487 -2.912 1.454) 3.579 4.992 ( -0.514 -1.723 -0.986) 2.051 5.019 ( -0.278 0.281 0.422) 0.578 5.041 ( -1.853 1.693 -3.329) 4.169 5.158 ( -2.304 -3.851 0.772) 4.553 5.205 ( -1.480 -3.672 0.991) 4.081 5.251 ( 0.851 -2.178 -2.048) 3.108 5.406 ( -1.643 -3.149 -2.007) 4.079 5.431 ( -0.206 -2.811 1.390) 3.142 5.569 ( -0.431 3.630 0.196) 3.660 5.610 ( -2.950 2.295 -0.142) 3.740 5.929 ( 0.034 0.042 3.157) 3.157 5.992 ( -3.467 -2.060 -2.646) 4.823 6.340 ( 0.307 -0.485 0.147) 0.593 6.357 ( 0.172 -0.935 0.557) 1.102 7.077 ( -6.683 6.054 -1.946) 9.225 7.119 ( -7.254 4.125 -1.722) 8.520 7.633 ( 0.652 -3.374 2.555) 4.282 7.664 ( -0.210 -3.421 0.085) 3.428 7.995 ( 1.361 0.967 -0.828) 1.863 8.053 ( 2.210 2.780 0.082) 3.552 8.091 ( 0.703 0.873 0.556) 1.251 8.173 ( 2.098 0.658 1.708) 2.784 8.231 ( 5.399 -3.481 -2.121) 6.765 8.388 ( 2.232 -5.015 0.660) 5.529 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 4.186 3.722 -0.560) 5.630 0.902 ( 3.730 4.070 5.273) 7.634 0.950 ( 4.705 2.945 1.038) 5.647 0.993 ( 2.601 6.060 -0.827) 6.646 1.128 ( -1.400 -0.817 0.519) 1.702 1.153 ( 3.666 8.648 0.576) 9.411 1.163 ( 0.858 2.171 0.824) 2.476 1.230 ( 1.929 0.852 1.488) 2.581 1.303 ( -1.727 -5.926 -8.175) 10.243 1.452 ( 0.734 8.130 -9.973) 12.888 1.565 ( -1.975 -4.756 3.657) 6.316 1.602 ( 2.873 0.263 7.309) 7.857 1.651 ( 2.911 1.779 1.923) 3.916 1.805 ( 2.676 -1.801 -2.254) 3.935 1.888 ( -2.611 1.236 -4.385) 5.251 1.988 ( 3.734 2.431 7.745) 8.935 2.181 ( -0.490 0.852 -2.230) 2.437 2.227 ( 4.752 3.676 3.149) 6.783 2.325 ( -0.116 -5.991 -1.788) 6.253 2.401 ( -0.231 0.927 1.287) 1.603 2.485 ( -2.762 1.329 -0.524) 3.110 2.560 ( -2.718 0.023 -1.444) 3.078 2.611 ( -1.266 2.569 1.246) 3.123 2.625 ( 0.652 3.615 0.743) 3.747 2.692 ( -2.044 -1.183 -2.346) 3.328 2.723 ( -0.510 1.545 -1.495) 2.209 2.747 ( 1.570 0.533 -1.881) 2.508 2.797 ( 0.674 0.520 -0.621) 1.053 2.841 ( 5.301 -5.279 2.005) 7.745 2.889 ( -0.079 -1.508 1.571) 2.179 2.959 ( -1.571 -1.624 2.855) 3.641 2.977 ( 2.269 1.569 -1.831) 3.311 3.055 ( -0.211 -0.831 0.114) 0.865 3.157 ( 1.598 -1.854 -1.029) 2.655 3.171 ( 1.676 -1.623 -0.493) 2.385 3.261 ( 1.905 0.545 3.246) 3.803 3.417 ( -1.519 2.654 -0.418) 3.086 3.434 ( -1.395 1.384 -0.271) 1.984 3.481 ( -2.352 0.810 -0.166) 2.493 3.513 ( -3.369 0.206 -0.243) 3.384 3.620 ( 0.114 0.059 -1.190) 1.196 3.647 ( 0.078 -0.814 -1.469) 1.681 3.700 ( -2.185 -2.596 0.570) 3.441 3.718 ( -2.472 -0.737 -4.210) 4.937 3.866 ( -0.745 1.982 2.608) 3.359 3.942 ( 1.570 0.894 1.029) 2.080 4.048 ( 0.660 4.720 2.219) 5.257 4.146 ( 0.528 2.732 2.452) 3.709 4.212 ( 0.047 0.973 -2.149) 2.359 4.272 ( 2.480 2.867 -0.102) 3.792 4.298 ( 2.287 -1.579 2.679) 3.860 4.378 ( -1.222 -0.810 -2.280) 2.710 4.461 ( 0.581 -1.772 -1.175) 2.204 4.538 ( 0.666 0.583 1.895) 2.092 4.603 ( 0.090 -0.753 -1.443) 1.630 4.669 ( -2.070 0.546 -1.528) 2.630 4.754 ( -0.381 -4.870 -1.761) 5.192 4.841 ( 2.174 0.780 2.439) 3.359 4.877 ( -2.633 1.670 2.119) 3.770 4.905 ( -2.431 -2.269 -0.537) 3.368 4.954 ( 0.091 -1.007 -2.714) 2.896 4.993 ( -1.713 1.681 -0.159) 2.405 5.013 ( -0.152 -1.461 -2.238) 2.677 5.125 ( -2.269 -3.305 1.313) 4.219 5.212 ( 0.150 -3.947 2.119) 4.483 5.269 ( 1.991 -3.878 -0.569) 4.396 5.400 ( 1.014 -2.012 1.825) 2.899 5.438 ( -0.480 -2.927 1.296) 3.236 5.550 ( -1.899 1.596 -2.225) 3.333 5.570 ( -0.792 3.957 0.125) 4.038 5.874 ( -4.243 0.082 -3.241) 5.340 5.968 ( -0.903 -0.922 2.783) 3.068 6.314 ( -0.574 0.481 -1.465) 1.646 6.389 ( 0.808 -2.092 1.199) 2.543 6.983 ( -3.289 4.856 -0.343) 5.875 7.006 ( -4.388 3.893 -0.882) 5.932 7.646 ( 0.795 -3.724 -1.459) 4.078 7.681 ( 0.249 -4.096 2.241) 4.675 8.010 ( 0.869 1.328 -0.266) 1.610 8.074 ( 0.628 3.953 -0.202) 4.007 8.114 ( 1.001 0.495 0.644) 1.289 8.219 ( 1.359 0.398 1.411) 2.000 8.281 ( 2.822 -3.735 -1.663) 4.968 8.423 ( 1.147 -5.224 0.484) 5.370 ======================= Grid point 22 (15/72) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -0.000 5.138 0.000) 5.138 0.960 ( -0.000 4.604 0.000) 4.604 1.023 ( -0.000 3.525 0.000) 3.525 1.040 ( 0.000 -2.864 0.000) 2.864 1.117 ( 0.000 1.463 0.000) 1.463 1.119 ( -0.000 4.450 -0.000) 4.450 1.178 ( -0.000 -3.064 -0.000) 3.064 1.284 ( -0.000 -0.074 -0.000) 0.074 1.314 ( -0.000 12.129 -0.000) 12.129 1.319 ( 0.000 8.432 0.000) 8.432 1.561 ( 0.000 -3.948 0.000) 3.948 1.680 ( -0.000 0.658 0.000) 0.658 1.708 ( 0.000 -1.434 -0.000) 1.434 1.807 ( 0.000 -5.032 -0.000) 5.032 1.836 ( -0.000 2.584 0.000) 2.584 2.078 ( -0.000 2.646 -0.000) 2.646 2.133 ( 0.000 2.279 0.000) 2.279 2.289 ( -0.000 -3.626 -0.000) 3.626 2.367 ( -0.000 0.018 -0.000) 0.018 2.378 ( 0.000 0.572 0.000) 0.572 2.453 ( 0.000 2.664 0.000) 2.664 2.507 ( 0.000 -1.312 0.000) 1.312 2.611 ( 0.000 3.666 -0.000) 3.666 2.634 ( 0.000 7.475 0.000) 7.475 2.679 ( 0.000 -4.101 0.000) 4.101 2.712 ( 0.000 2.337 0.000) 2.337 2.744 ( -0.000 0.173 0.000) 0.173 2.792 ( 0.000 2.652 0.000) 2.652 2.892 ( 0.000 -2.257 0.000) 2.257 2.924 ( 0.000 -2.477 0.000) 2.477 2.945 ( -0.000 -3.451 0.000) 3.451 3.010 ( 0.000 3.085 0.000) 3.085 3.039 ( -0.000 -4.131 0.000) 4.131 3.168 ( 0.000 -2.714 0.000) 2.714 3.177 ( 0.000 -2.145 -0.000) 2.145 3.346 ( -0.000 -3.511 -0.000) 3.511 3.356 ( 0.000 -0.329 0.000) 0.329 3.409 ( 0.000 3.773 0.000) 3.773 3.423 ( -0.000 1.376 0.000) 1.376 3.525 ( 0.000 1.367 0.000) 1.367 3.621 ( -0.000 0.718 -0.000) 0.718 3.642 ( 0.000 1.358 0.000) 1.358 3.660 ( 0.000 -3.793 -0.000) 3.793 3.683 ( 0.000 -2.668 -0.000) 2.668 3.870 ( 0.000 1.954 0.000) 1.954 3.953 ( 0.000 4.335 0.000) 4.335 4.099 ( -0.000 0.732 -0.000) 0.732 4.125 ( 0.000 3.269 0.000) 3.269 4.225 ( 0.000 2.626 0.000) 2.626 4.295 ( 0.000 2.221 0.000) 2.221 4.327 ( 0.000 1.917 0.000) 1.917 4.353 ( 0.000 -4.710 -0.000) 4.710 4.451 ( 0.000 -1.511 0.000) 1.511 4.557 ( 0.000 3.417 0.000) 3.417 4.600 ( 0.000 -3.910 -0.000) 3.910 4.635 ( 0.000 1.162 0.000) 1.162 4.741 ( 0.000 -4.917 0.000) 4.917 4.858 ( -0.000 -2.325 0.000) 2.325 4.862 ( 0.000 0.854 -0.000) 0.854 4.892 ( 0.000 2.327 0.000) 2.327 4.960 ( 0.000 -2.155 0.000) 2.155 4.978 ( 0.000 0.925 -0.000) 0.925 4.988 ( 0.000 -1.286 -0.000) 1.286 5.110 ( 0.000 -2.764 0.000) 2.764 5.227 ( 0.000 -4.567 0.000) 4.567 5.287 ( 0.000 -4.743 0.000) 4.743 5.438 ( -0.000 -1.993 -0.000) 1.993 5.439 ( 0.000 -1.537 0.000) 1.537 5.508 ( 0.000 1.890 0.000) 1.890 5.562 ( 0.000 3.038 0.000) 3.038 5.813 ( 0.000 1.431 0.000) 1.431 5.973 ( 0.000 -0.911 0.000) 0.911 6.303 ( 0.000 0.553 0.000) 0.553 6.401 ( 0.000 -2.447 0.000) 2.447 6.956 ( 0.000 4.458 0.000) 4.458 6.963 ( -0.000 3.741 0.000) 3.741 7.646 ( 0.000 -3.829 0.000) 3.829 7.695 ( 0.000 -4.442 0.000) 4.442 8.017 ( 0.000 1.480 0.000) 1.480 8.078 ( -0.000 4.387 0.000) 4.387 8.126 ( 0.000 0.283 0.000) 0.283 8.238 ( 0.000 0.477 0.000) 0.477 8.297 ( 0.000 -3.915 0.000) 3.915 8.435 ( 0.000 -5.243 0.000) 5.243 ======================= Grid point 27 (16/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.000 10.996 0.000) 10.996 0.757 ( 0.000 -9.982 0.000) 9.982 0.887 ( 0.000 5.187 0.000) 5.187 0.927 ( 0.000 -0.725 0.000) 0.725 1.028 ( 0.000 4.177 0.000) 4.177 1.111 ( 0.000 -3.713 0.000) 3.713 1.118 ( 0.000 6.890 0.000) 6.890 1.234 ( 0.000 -1.203 0.000) 1.203 1.293 ( 0.000 -0.679 0.000) 0.679 1.344 ( 0.000 -6.004 0.000) 6.004 1.354 ( 0.000 0.081 0.000) 0.081 1.360 ( 0.000 0.198 0.000) 0.198 1.669 ( 0.000 13.324 0.000) 13.324 1.771 ( 0.000 1.537 0.000) 1.537 1.883 ( 0.000 -5.303 0.000) 5.303 1.918 ( 0.000 -7.188 0.000) 7.188 2.236 ( 0.000 -0.929 0.000) 0.929 2.259 ( 0.000 -2.376 0.000) 2.376 2.355 ( 0.000 1.345 0.000) 1.345 2.370 ( 0.000 1.369 0.000) 1.369 2.523 ( 0.000 1.702 0.000) 1.702 2.549 ( 0.000 -0.355 0.000) 0.355 2.583 ( 0.000 -0.571 0.000) 0.571 2.593 ( 0.000 -1.793 0.000) 1.793 2.765 ( 0.000 2.030 0.000) 2.030 2.794 ( 0.000 0.359 0.000) 0.359 2.819 ( 0.000 2.982 0.000) 2.982 2.877 ( 0.000 2.327 0.000) 2.327 2.879 ( 0.000 -2.358 0.000) 2.358 2.895 ( 0.000 -1.038 0.000) 1.038 2.966 ( 0.000 2.030 0.000) 2.030 2.999 ( 0.000 -1.129 0.000) 1.129 3.030 ( 0.000 2.738 0.000) 2.738 3.076 ( 0.000 -1.440 0.000) 1.440 3.109 ( 0.000 3.440 0.000) 3.440 3.193 ( 0.000 -3.736 0.000) 3.736 3.442 ( 0.000 1.544 0.000) 1.544 3.463 ( 0.000 -0.263 0.000) 0.263 3.536 ( 0.000 5.433 0.000) 5.433 3.620 ( 0.000 -2.124 0.000) 2.124 3.682 ( 0.000 2.569 0.000) 2.569 3.729 ( 0.000 -1.755 0.000) 1.755 3.733 ( 0.000 1.594 0.000) 1.594 3.765 ( 0.000 -2.106 0.000) 2.106 3.920 ( 0.000 1.046 0.000) 1.046 3.927 ( 0.000 -0.006 0.000) 0.006 4.058 ( 0.000 2.043 0.000) 2.043 4.095 ( 0.000 3.294 0.000) 3.294 4.101 ( 0.000 -2.786 0.000) 2.786 4.164 ( 0.000 -3.183 0.000) 3.183 4.282 ( 0.000 3.886 0.000) 3.886 4.361 ( 0.000 -3.803 0.000) 3.803 4.495 ( 0.000 0.818 0.000) 0.818 4.495 ( 0.000 0.457 0.000) 0.457 4.655 ( 0.000 3.564 0.000) 3.564 4.663 ( 0.000 3.327 0.000) 3.327 4.740 ( 0.000 -3.362 0.000) 3.362 4.743 ( 0.000 -4.966 0.000) 4.966 4.869 ( 0.000 0.372 0.000) 0.372 4.888 ( 0.000 -0.976 0.000) 0.976 4.994 ( 0.000 0.538 0.000) 0.538 5.030 ( 0.000 -2.546 0.000) 2.546 5.096 ( 0.000 0.456 0.000) 0.456 5.107 ( 0.000 -0.369 0.000) 0.369 5.227 ( 0.000 -1.739 0.000) 1.739 5.233 ( 0.000 -2.223 0.000) 2.223 5.432 ( 0.000 -0.235 0.000) 0.235 5.440 ( 0.000 -0.957 0.000) 0.957 5.649 ( 0.000 3.198 0.000) 3.198 5.693 ( 0.000 -1.237 0.000) 1.237 5.923 ( 0.000 3.678 0.000) 3.678 6.005 ( 0.000 -4.429 0.000) 4.429 6.295 ( 0.000 2.215 0.000) 2.215 6.342 ( 0.000 -2.508 0.000) 2.508 7.394 ( 0.000 4.123 0.000) 4.123 7.459 ( 0.000 -2.314 0.000) 2.314 7.535 ( 0.000 3.085 0.000) 3.085 7.602 ( 0.000 -3.731 0.000) 3.731 7.990 ( 0.000 0.631 0.000) 0.631 7.997 ( 0.000 -0.038 0.000) 0.038 8.050 ( 0.000 1.875 0.000) 1.875 8.075 ( 0.000 -0.786 0.000) 0.786 8.172 ( 0.000 2.616 0.000) 2.616 8.238 ( 0.000 -3.963 0.000) 3.963 ======================= Grid point 28 (17/72) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 7.021 8.991 -0.582) 11.422 0.788 ( 2.441 -8.770 1.685) 9.258 0.911 ( 2.454 5.352 0.364) 5.899 0.956 ( 3.874 -0.702 -0.049) 3.937 1.049 ( 1.886 6.075 0.703) 6.400 1.101 ( 1.775 3.767 -0.833) 4.247 1.211 ( 3.891 -0.934 3.685) 5.440 1.256 ( 1.744 -1.884 0.021) 2.568 1.274 ( -0.849 -0.336 -1.562) 1.809 1.334 ( 0.083 -1.208 -1.696) 2.084 1.371 ( 0.468 -2.048 3.793) 4.336 1.403 ( 5.571 -3.059 -0.973) 6.430 1.694 ( 3.051 9.469 2.164) 10.181 1.805 ( 1.907 2.473 0.862) 3.240 1.850 ( -1.873 -2.247 -0.602) 2.986 1.933 ( 2.002 -5.543 -1.070) 5.990 2.229 ( -0.670 0.899 -0.672) 1.307 2.268 ( -3.339 0.762 2.972) 4.535 2.310 ( -0.042 -1.466 -3.793) 4.067 2.338 ( -1.141 -2.575 -1.834) 3.361 2.535 ( 1.392 0.622 -0.515) 1.609 2.542 ( -0.633 -0.274 0.847) 1.093 2.602 ( 2.431 2.313 1.010) 3.504 2.640 ( 1.814 -0.212 0.505) 1.895 2.723 ( -0.710 1.023 -2.386) 2.691 2.767 ( -1.707 -0.786 -2.241) 2.925 2.802 ( -2.574 0.811 -0.711) 2.791 2.837 ( -3.027 0.119 -1.832) 3.540 2.866 ( -1.623 -0.160 0.028) 1.631 2.886 ( -1.012 -0.654 -1.393) 1.841 2.958 ( -0.088 1.696 0.359) 1.736 2.981 ( -0.631 -0.026 0.485) 0.796 3.057 ( 1.322 2.217 -0.224) 2.591 3.090 ( 1.654 -0.586 -1.965) 2.634 3.145 ( 2.361 1.488 2.144) 3.519 3.185 ( -0.015 -1.966 -0.159) 1.972 3.469 ( 0.553 1.462 3.592) 3.918 3.479 ( 0.410 0.466 2.211) 2.297 3.539 ( 0.449 4.210 -0.141) 4.236 3.601 ( -1.484 -0.213 -0.872) 1.735 3.671 ( -1.231 -0.298 -0.687) 1.441 3.711 ( -2.799 -3.523 -0.958) 4.601 3.744 ( 1.303 2.184 0.382) 2.572 3.775 ( 0.166 -0.880 0.820) 1.214 3.887 ( -2.454 1.379 -0.097) 2.816 3.907 ( -1.942 -0.293 -0.909) 2.164 4.071 ( 1.267 1.573 0.031) 2.020 4.093 ( 3.082 0.047 1.146) 3.288 4.155 ( -0.389 -0.125 0.801) 0.899 4.173 ( 2.361 -1.176 1.261) 2.923 4.303 ( 1.957 2.813 -0.136) 3.430 4.364 ( 1.024 -3.140 -0.880) 3.418 4.478 ( -0.417 1.584 -1.887) 2.499 4.492 ( -0.137 0.439 -0.054) 0.463 4.618 ( -1.279 1.865 0.280) 2.279 4.686 ( -1.966 -4.259 -0.575) 4.726 4.730 ( 2.310 2.942 2.757) 4.646 4.791 ( -0.195 -2.208 2.076) 3.036 4.866 ( 1.112 -0.063 -0.914) 1.441 4.894 ( 0.007 -1.940 0.318) 1.966 5.000 ( -0.752 1.105 2.991) 3.276 5.031 ( -1.187 -1.294 2.767) 3.277 5.094 ( -0.333 -0.279 -0.175) 0.469 5.107 ( 0.314 -0.311 -0.448) 0.629 5.191 ( -2.490 -1.005 -2.056) 3.382 5.222 ( -0.718 -3.287 -1.379) 3.636 5.411 ( -1.313 -0.224 -2.061) 2.454 5.420 ( -1.381 -1.107 -1.881) 2.583 5.646 ( -1.196 2.599 1.329) 3.154 5.676 ( -2.520 -0.372 1.265) 2.844 5.924 ( 0.062 2.724 0.323) 2.744 5.990 ( -1.025 -3.765 -1.246) 4.096 6.310 ( 0.966 1.511 1.128) 2.119 6.345 ( 0.103 -1.858 0.127) 1.865 7.314 ( -6.698 3.038 -2.619) 7.807 7.339 ( -8.063 0.833 -3.566) 8.855 7.571 ( 0.164 0.627 2.912) 2.983 7.607 ( -0.272 -2.820 0.827) 2.951 8.004 ( 1.835 1.553 -0.454) 2.446 8.035 ( 2.409 -1.338 0.409) 2.786 8.071 ( 2.857 2.117 -0.282) 3.567 8.106 ( 3.217 -1.444 0.498) 3.561 8.180 ( 0.946 2.956 0.141) 3.107 8.254 ( 1.611 -4.322 0.101) 4.614 ======================= Grid point 29 (18/72) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 8.243 5.563 -0.105) 9.945 0.855 ( 2.644 -5.226 2.980) 6.571 0.971 ( 4.694 7.605 -1.299) 9.030 1.047 ( 5.401 -1.344 -0.079) 5.566 1.080 ( 3.629 4.148 -1.481) 5.707 1.164 ( 4.119 2.210 -0.261) 4.681 1.186 ( -2.582 2.374 -1.576) 3.845 1.240 ( 0.062 -2.591 -3.795) 4.595 1.324 ( 0.795 -0.761 -1.768) 2.082 1.385 ( 4.668 -3.686 8.616) 10.470 1.449 ( 4.509 1.145 3.129) 5.606 1.495 ( 5.875 -1.724 -0.764) 6.170 1.763 ( -1.018 2.926 -0.070) 3.099 1.796 ( -0.659 -0.474 -2.330) 2.467 1.881 ( 4.458 4.653 4.420) 7.814 1.963 ( 2.133 -2.321 -1.820) 3.640 2.209 ( -2.385 0.700 1.207) 2.763 2.234 ( 1.568 5.119 -0.974) 5.442 2.260 ( -1.639 -3.018 -0.289) 3.447 2.358 ( 1.150 -4.847 1.634) 5.242 2.539 ( -0.520 0.133 -0.689) 0.873 2.550 ( 1.310 -1.609 -2.006) 2.886 2.629 ( -0.569 3.380 -1.514) 3.747 2.664 ( 2.669 2.967 2.320) 4.616 2.720 ( -1.502 -3.362 -2.060) 4.219 2.736 ( -0.398 -2.730 0.660) 2.836 2.747 ( -0.002 3.325 -0.724) 3.403 2.774 ( -1.039 0.330 -2.119) 2.383 2.830 ( -1.751 -0.139 -1.344) 2.211 2.850 ( -1.721 -1.580 0.337) 2.360 2.958 ( -1.049 1.177 0.686) 1.720 2.976 ( -0.662 -0.411 0.152) 0.794 3.070 ( 0.252 1.916 0.361) 1.966 3.105 ( 1.872 -1.100 -0.500) 2.228 3.171 ( 0.445 1.827 -0.706) 2.009 3.213 ( 0.629 -1.531 2.865) 3.309 3.495 ( -1.098 2.151 1.845) 3.039 3.498 ( -1.185 1.604 1.401) 2.437 3.546 ( -0.835 2.380 0.278) 2.538 3.571 ( 0.387 1.645 -1.014) 1.971 3.623 ( -4.904 -2.804 -1.490) 5.842 3.638 ( -1.435 -3.414 -1.293) 3.922 3.733 ( -2.281 1.408 -2.540) 3.693 3.767 ( -0.822 -1.429 -2.823) 3.269 3.874 ( -0.551 0.707 1.961) 2.157 3.883 ( 0.289 -0.371 2.438) 2.483 4.112 ( 1.443 2.710 1.555) 3.442 4.154 ( -0.308 -0.012 3.295) 3.309 4.173 ( 3.774 0.243 0.783) 3.862 4.206 ( 1.763 -1.809 -1.403) 2.889 4.328 ( 1.696 3.155 -1.248) 3.793 4.378 ( 1.429 -1.711 -1.248) 2.555 4.461 ( 0.521 1.956 -1.658) 2.617 4.497 ( 0.514 -1.043 0.401) 1.230 4.614 ( -0.158 1.268 0.955) 1.595 4.669 ( 0.052 -3.741 0.190) 3.747 4.761 ( -0.887 1.683 -0.850) 2.083 4.789 ( -0.265 -0.294 2.403) 2.435 4.871 ( -0.453 -1.834 -1.697) 2.539 4.887 ( -0.547 -2.373 -0.172) 2.441 5.020 ( -1.387 3.293 2.320) 4.260 5.039 ( -1.211 1.037 3.800) 4.121 5.075 ( -2.169 0.105 0.505) 2.230 5.117 ( 0.612 -1.122 0.889) 1.557 5.121 ( -2.488 -1.467 -3.004) 4.167 5.193 ( -0.556 -3.925 -1.786) 4.348 5.359 ( -1.660 -0.488 -1.421) 2.239 5.381 ( -1.419 -2.245 -0.031) 2.656 5.629 ( -1.906 2.095 0.569) 2.889 5.644 ( -2.303 0.626 0.871) 2.541 5.928 ( -0.658 0.291 1.029) 1.256 5.950 ( -2.175 -1.857 -1.329) 3.154 6.336 ( 0.754 0.165 0.281) 0.822 6.344 ( 0.137 -0.518 -0.373) 0.653 7.165 ( -7.249 2.675 -1.964) 7.973 7.178 ( -7.513 1.366 -1.786) 7.842 7.591 ( 0.202 -0.664 1.094) 1.295 7.606 ( -0.293 -2.071 0.349) 2.120 8.032 ( 1.547 2.376 0.248) 2.847 8.075 ( 1.743 -1.431 0.950) 2.447 8.121 ( 2.735 2.569 -0.211) 3.758 8.169 ( 3.592 -2.493 -0.505) 4.401 8.206 ( 1.880 2.880 0.237) 3.447 8.287 ( 2.015 -4.879 0.125) 5.280 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 4.541 3.952 0.372) 6.032 0.925 ( 1.980 -2.673 3.204) 4.619 1.017 ( 2.955 5.899 -2.911) 7.211 1.115 ( 0.015 0.251 -2.159) 2.174 1.118 ( 3.993 3.384 -1.427) 5.424 1.149 ( -1.847 -1.815 -1.124) 2.823 1.170 ( 2.456 -2.973 -3.841) 5.442 1.245 ( 3.270 -2.661 -0.878) 4.307 1.388 ( 4.374 10.449 5.469) 12.579 1.526 ( 2.476 0.691 4.337) 5.041 1.560 ( 4.757 -1.482 3.724) 6.221 1.570 ( 3.961 0.028 -1.587) 4.268 1.690 ( -3.617 2.363 -1.462) 4.561 1.751 ( -1.464 -3.113 -3.737) 5.079 1.946 ( -0.280 3.826 -2.712) 4.698 2.004 ( 3.919 -1.205 2.690) 4.904 2.188 ( -2.197 0.176 1.424) 2.624 2.218 ( -2.319 -3.747 0.967) 4.511 2.319 ( 4.800 5.118 2.043) 7.309 2.397 ( 1.120 -1.948 1.006) 2.462 2.501 ( -0.725 1.050 -2.475) 2.785 2.563 ( 2.182 -5.122 -1.917) 5.888 2.602 ( -2.369 3.989 0.462) 4.662 2.678 ( -1.461 -2.155 0.297) 2.620 2.705 ( -0.321 2.352 0.276) 2.390 2.736 ( -1.449 0.928 1.743) 2.450 2.757 ( 2.395 1.885 -1.142) 3.255 2.782 ( 2.520 -0.971 -0.244) 2.711 2.815 ( 1.842 0.845 0.099) 2.029 2.853 ( 0.607 -2.448 1.130) 2.763 2.937 ( -1.976 -0.406 1.069) 2.283 2.961 ( -1.106 -2.340 0.006) 2.588 3.077 ( 0.267 2.831 0.489) 2.885 3.136 ( 0.952 -2.005 0.535) 2.283 3.164 ( -0.165 2.707 -1.269) 2.994 3.239 ( -0.040 -3.249 2.375) 4.024 3.454 ( -3.272 0.904 -1.696) 3.794 3.460 ( -2.345 0.826 -1.721) 3.024 3.514 ( -2.270 3.082 -0.220) 3.834 3.545 ( -1.553 1.571 1.267) 2.546 3.601 ( 0.515 -1.862 0.480) 1.990 3.621 ( -0.524 -2.046 0.963) 2.321 3.663 ( -2.017 0.219 -3.374) 3.937 3.692 ( -1.783 -1.856 -4.990) 5.615 3.897 ( 0.110 1.759 2.259) 2.865 3.934 ( 1.505 -1.553 3.251) 3.905 4.131 ( -0.266 3.131 0.811) 3.245 4.167 ( -0.574 -0.378 0.519) 0.862 4.226 ( 2.373 0.565 0.251) 2.452 4.248 ( 2.509 -2.202 1.217) 3.553 4.344 ( 1.951 3.520 -1.520) 4.302 4.383 ( 0.412 -0.038 -1.220) 1.288 4.454 ( -0.503 1.182 -0.652) 1.441 4.506 ( -0.128 -3.341 0.545) 3.387 4.626 ( 0.997 2.532 -0.187) 2.728 4.675 ( 0.623 -2.407 -0.825) 2.620 4.714 ( -1.803 3.162 -2.513) 4.423 4.805 ( -1.504 -5.354 -0.322) 5.571 4.847 ( 0.961 0.509 0.547) 1.217 4.882 ( -0.188 -2.784 0.943) 2.945 4.987 ( -1.837 5.002 -1.377) 5.504 5.027 ( -2.383 1.986 0.496) 3.141 5.046 ( -2.227 2.016 0.476) 3.042 5.070 ( -1.191 -2.466 -0.213) 2.747 5.131 ( -0.466 -2.802 1.424) 3.178 5.180 ( 0.276 -4.773 -0.767) 4.842 5.365 ( 1.394 -0.597 2.359) 2.804 5.384 ( 0.423 -2.292 2.074) 3.120 5.591 ( -2.001 1.977 -1.237) 3.073 5.612 ( -1.799 0.253 -0.393) 1.859 5.889 ( -2.412 1.522 -1.095) 3.055 5.930 ( -0.982 -2.357 1.235) 2.836 6.329 ( -0.158 0.977 -1.132) 1.503 6.353 ( 0.433 -1.515 -0.126) 1.581 7.057 ( -3.982 2.218 -0.652) 4.605 7.064 ( -4.414 1.491 -0.699) 4.711 7.597 ( 0.196 -0.951 -0.324) 1.024 7.612 ( 0.162 -2.354 0.809) 2.494 8.057 ( 0.943 2.959 0.454) 3.139 8.107 ( 0.960 -1.491 0.754) 1.927 8.154 ( 1.497 3.493 -0.227) 3.807 8.210 ( 1.843 -2.738 -0.364) 3.320 8.239 ( 1.547 1.989 -0.041) 2.520 8.317 ( 1.202 -5.148 0.115) 5.287 ======================= Grid point 31 (20/72) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.000 4.188 -0.000) 4.188 0.963 ( 0.000 -2.534 0.000) 2.534 1.030 ( 0.000 1.931 0.000) 1.931 1.095 ( -0.000 -2.447 -0.000) 2.447 1.099 ( -0.000 1.670 0.000) 1.670 1.153 ( 0.000 -1.667 -0.000) 1.667 1.187 ( -0.000 5.079 -0.000) 5.079 1.283 ( 0.000 -2.958 0.000) 2.958 1.496 ( -0.000 8.714 -0.000) 8.714 1.529 ( 0.000 8.280 0.000) 8.280 1.566 ( -0.000 5.391 0.000) 5.391 1.651 ( 0.000 -4.807 0.000) 4.807 1.669 ( -0.000 -2.901 0.000) 2.901 1.702 ( 0.000 -4.970 -0.000) 4.970 1.929 ( 0.000 6.058 0.000) 6.058 2.053 ( 0.000 -5.312 0.000) 5.312 2.168 ( 0.000 1.413 -0.000) 1.413 2.200 ( 0.000 -2.597 0.000) 2.597 2.383 ( -0.000 1.457 -0.000) 1.457 2.402 ( 0.000 0.002 0.000) 0.002 2.496 ( 0.000 2.353 0.000) 2.353 2.548 ( 0.000 2.162 -0.000) 2.162 2.591 ( -0.000 -1.795 0.000) 1.795 2.665 ( 0.000 -2.422 0.000) 2.422 2.702 ( 0.000 1.636 0.000) 1.636 2.731 ( 0.000 1.177 -0.000) 1.177 2.781 ( -0.000 2.396 0.000) 2.396 2.803 ( 0.000 -0.766 0.000) 0.766 2.857 ( 0.000 -0.977 0.000) 0.977 2.881 ( 0.000 -3.007 -0.000) 3.007 2.909 ( -0.000 1.254 0.000) 1.254 2.946 ( 0.000 -3.691 0.000) 3.691 3.085 ( -0.000 2.552 0.000) 2.552 3.141 ( 0.000 -2.618 -0.000) 2.618 3.151 ( -0.000 3.853 0.000) 3.853 3.256 ( 0.000 -5.169 -0.000) 5.169 3.395 ( 0.000 2.952 0.000) 2.952 3.438 ( 0.000 -0.645 0.000) 0.645 3.493 ( 0.000 4.382 0.000) 4.382 3.561 ( -0.000 2.099 0.000) 2.099 3.576 ( 0.000 -4.194 -0.000) 4.194 3.613 ( 0.000 -3.107 0.000) 3.107 3.639 ( 0.000 1.100 -0.000) 1.100 3.660 ( 0.000 -0.699 -0.000) 0.699 3.909 ( 0.000 2.510 0.000) 2.510 3.966 ( 0.000 -2.416 0.000) 2.416 4.129 ( 0.000 2.321 0.000) 2.321 4.161 ( 0.000 -0.080 0.000) 0.080 4.259 ( 0.000 0.579 -0.000) 0.579 4.273 ( 0.000 -2.097 0.000) 2.097 4.364 ( 0.000 2.863 -0.000) 2.863 4.370 ( -0.000 2.118 0.000) 2.118 4.441 ( -0.000 0.767 0.000) 0.767 4.506 ( 0.000 -5.103 0.000) 5.103 4.635 ( 0.000 3.706 -0.000) 3.706 4.674 ( 0.000 -1.611 0.000) 1.611 4.684 ( -0.000 3.311 0.000) 3.311 4.780 ( 0.000 -5.323 0.000) 5.323 4.868 ( 0.000 -0.438 -0.000) 0.438 4.892 ( 0.000 -3.028 -0.000) 3.028 4.960 ( -0.000 5.633 0.000) 5.633 5.005 ( 0.000 2.335 -0.000) 2.335 5.026 ( 0.000 1.794 0.000) 1.794 5.059 ( 0.000 -2.585 0.000) 2.585 5.133 ( 0.000 -3.465 0.000) 3.465 5.179 ( 0.000 -5.534 -0.000) 5.534 5.403 ( -0.000 -1.040 -0.000) 1.040 5.404 ( 0.000 -1.174 0.000) 1.174 5.560 ( 0.000 2.341 0.000) 2.341 5.589 ( 0.000 -0.334 0.000) 0.334 5.861 ( 0.000 3.171 0.000) 3.171 5.927 ( 0.000 -3.197 0.000) 3.197 6.321 ( 0.000 1.332 0.000) 1.332 6.355 ( 0.000 -2.084 0.000) 2.084 7.021 ( 0.000 1.752 0.000) 1.752 7.022 ( -0.000 1.787 -0.000) 1.787 7.597 ( 0.000 -0.774 0.000) 0.774 7.618 ( 0.000 -2.749 0.000) 2.749 8.068 ( 0.000 3.161 0.000) 3.161 8.119 ( 0.000 -1.412 0.000) 1.412 8.166 ( 0.000 3.845 0.000) 3.845 8.225 ( 0.000 -3.005 0.000) 3.005 8.252 ( 0.000 1.751 0.000) 1.751 8.328 ( 0.000 -5.208 0.000) 5.208 ======================= Grid point 63 (21/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( 9.538 0.000 14.466) 17.327 0.326 ( -3.116 0.000 17.064) 17.346 0.567 ( 0.407 0.000 27.017) 27.020 0.845 ( -8.809 0.000 -11.202) 14.251 0.909 ( 2.378 0.000 -10.234) 10.507 1.045 ( 0.767 0.000 -3.461) 3.545 1.151 ( -0.940 0.000 -2.989) 3.133 1.221 ( -1.537 0.000 2.721) 3.125 1.265 ( 0.127 0.000 7.382) 7.383 1.300 ( -2.295 0.000 2.930) 3.722 1.383 ( -1.122 0.000 2.664) 2.890 1.470 ( 0.819 0.000 5.197) 5.261 1.652 ( -0.339 0.000 -17.409) 17.412 1.850 ( 1.177 0.000 -11.041) 11.104 2.098 ( -1.171 0.000 -0.774) 1.404 2.113 ( 2.675 0.000 8.947) 9.339 2.135 ( 2.405 0.000 -2.453) 3.435 2.185 ( -2.795 0.000 2.169) 3.538 2.352 ( 2.918 0.000 -1.586) 3.321 2.456 ( -0.150 0.000 1.587) 1.594 2.492 ( -3.860 0.000 -0.926) 3.969 2.519 ( 0.082 0.000 -1.968) 1.969 2.551 ( 0.447 0.000 5.418) 5.437 2.603 ( 1.490 0.000 -0.470) 1.562 2.624 ( 1.229 0.000 -0.558) 1.350 2.720 ( -8.814 0.000 -0.607) 8.835 2.768 ( 0.598 0.000 2.157) 2.238 2.770 ( 5.018 0.000 2.788) 5.740 2.846 ( -0.567 0.000 -0.908) 1.070 2.865 ( -0.131 0.000 -1.144) 1.152 2.914 ( -1.701 0.000 -0.010) 1.701 2.921 ( 2.050 0.000 1.995) 2.861 3.016 ( 0.814 0.000 -3.106) 3.210 3.042 ( -4.275 0.000 -2.700) 5.056 3.129 ( -0.891 0.000 1.307) 1.582 3.272 ( -3.787 0.000 -6.743) 7.734 3.351 ( 1.194 0.000 -0.410) 1.263 3.441 ( 0.309 0.000 -2.527) 2.545 3.504 ( 4.025 0.000 2.010) 4.499 3.511 ( -3.866 0.000 -0.646) 3.920 3.553 ( 1.612 0.000 -0.607) 1.722 3.683 ( -6.062 0.000 -5.623) 8.268 3.806 ( -0.522 0.000 1.222) 1.329 3.818 ( 1.857 0.000 6.304) 6.572 3.850 ( 0.512 0.000 1.436) 1.524 3.883 ( -3.302 0.000 0.272) 3.313 3.945 ( -0.525 0.000 4.590) 4.620 4.023 ( -2.097 0.000 6.536) 6.864 4.077 ( 1.741 0.000 0.281) 1.764 4.201 ( -0.822 0.000 -2.580) 2.708 4.323 ( 0.718 0.000 1.743) 1.885 4.476 ( -1.861 0.000 1.200) 2.214 4.497 ( -0.756 0.000 -2.622) 2.728 4.554 ( 4.711 0.000 -3.103) 5.641 4.563 ( 0.824 0.000 3.347) 3.447 4.635 ( 0.739 0.000 2.204) 2.324 4.738 ( -2.344 0.000 -3.940) 4.585 4.819 ( 2.901 0.000 -6.808) 7.400 4.966 ( -0.188 0.000 0.461) 0.498 5.014 ( 1.327 0.000 -1.857) 2.282 5.024 ( 1.570 0.000 2.420) 2.885 5.100 ( 0.637 0.000 -1.406) 1.543 5.101 ( 1.456 0.000 2.326) 2.744 5.249 ( -1.664 0.000 -2.915) 3.357 5.303 ( -0.051 0.000 1.906) 1.907 5.315 ( 1.822 0.000 2.166) 2.831 5.405 ( -1.195 0.000 -1.402) 1.842 5.465 ( -0.668 0.000 -3.931) 3.988 5.602 ( 0.807 0.000 0.022) 0.807 5.616 ( 2.812 0.000 0.577) 2.870 5.876 ( 0.955 0.000 7.854) 7.912 6.121 ( -0.983 0.000 -4.677) 4.779 6.321 ( 4.417 0.000 5.229) 6.845 6.454 ( -1.778 0.000 -1.625) 2.409 6.924 ( -0.486 0.000 3.470) 3.504 7.137 ( 0.763 0.000 -5.370) 5.424 7.701 ( 24.173 0.000 0.488) 24.177 7.752 ( -3.832 0.000 -1.349) 4.063 7.940 ( -0.342 0.000 3.302) 3.320 8.017 ( 1.237 0.000 2.406) 2.706 8.066 ( 0.157 0.000 -2.358) 2.363 8.103 ( -0.090 0.000 -0.996) 1.000 8.345 ( -24.088 0.000 0.843) 24.103 8.403 ( 3.681 0.000 -1.518) 3.982 ======================= Grid point 64 (22/72) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 2.368 0.000 7.871) 8.219 0.585 ( 10.615 0.000 13.086) 16.850 0.585 ( -2.046 0.000 -7.609) 7.879 0.833 ( 1.646 0.000 -12.953) 13.057 0.985 ( 6.900 0.000 14.777) 16.308 1.027 ( -1.993 0.000 -0.518) 2.060 1.104 ( 4.701 0.000 2.068) 5.136 1.197 ( 0.812 0.000 -1.129) 1.391 1.320 ( -0.832 0.000 6.232) 6.288 1.344 ( 0.058 0.000 2.944) 2.944 1.434 ( 3.668 0.000 2.330) 4.346 1.520 ( 3.465 0.000 -14.681) 15.085 1.568 ( 3.205 0.000 7.718) 8.357 1.729 ( -1.420 0.000 -11.245) 11.334 2.004 ( -6.546 0.000 -0.797) 6.594 2.114 ( -1.197 0.000 -3.278) 3.489 2.173 ( -3.027 0.000 2.589) 3.983 2.241 ( 3.641 0.000 5.755) 6.810 2.352 ( -6.343 0.000 -4.652) 7.866 2.415 ( 3.381 0.000 1.317) 3.629 2.463 ( -0.533 0.000 -0.873) 1.023 2.511 ( -0.467 0.000 -1.384) 1.460 2.587 ( 0.300 0.000 1.945) 1.968 2.638 ( 0.728 0.000 -2.328) 2.439 2.658 ( -0.822 0.000 0.418) 0.922 2.705 ( 5.443 0.000 2.146) 5.851 2.795 ( -0.652 0.000 -3.925) 3.979 2.844 ( -1.299 0.000 -0.490) 1.388 2.848 ( 5.456 0.000 -0.185) 5.459 2.875 ( 0.699 0.000 -1.181) 1.372 2.907 ( -6.244 0.000 -2.473) 6.716 2.923 ( 5.481 0.000 3.867) 6.708 2.993 ( 2.859 0.000 1.663) 3.308 3.022 ( 2.339 0.000 0.374) 2.369 3.140 ( 0.735 0.000 2.675) 2.775 3.207 ( 0.291 0.000 -1.942) 1.964 3.386 ( 2.242 0.000 1.731) 2.833 3.388 ( -1.728 0.000 -3.209) 3.645 3.479 ( -2.945 0.000 0.683) 3.023 3.572 ( 2.036 0.000 -1.083) 2.306 3.584 ( 0.815 0.000 -4.322) 4.399 3.618 ( 4.373 0.000 3.252) 5.450 3.802 ( -2.419 0.000 1.653) 2.930 3.813 ( -4.578 0.000 1.172) 4.726 3.832 ( -2.215 0.000 -0.757) 2.341 3.889 ( 1.771 0.000 2.742) 3.265 3.972 ( -1.674 0.000 5.592) 5.837 4.050 ( -2.691 0.000 0.949) 2.854 4.109 ( 2.067 0.000 2.892) 3.555 4.161 ( -0.715 0.000 -3.204) 3.283 4.368 ( 0.507 0.000 4.927) 4.953 4.428 ( -1.780 0.000 -5.826) 6.092 4.485 ( 2.758 0.000 -0.113) 2.760 4.600 ( 0.936 0.000 -0.547) 1.084 4.622 ( 1.217 0.000 5.128) 5.270 4.646 ( -0.766 0.000 -2.762) 2.866 4.684 ( 1.769 0.000 2.717) 3.242 4.835 ( 6.025 0.000 -8.828) 10.688 4.918 ( -3.559 0.000 -0.543) 3.600 4.986 ( -2.483 0.000 -0.968) 2.665 5.031 ( -1.813 0.000 1.054) 2.097 5.051 ( -4.133 0.000 -2.436) 4.798 5.158 ( 1.645 0.000 3.989) 4.315 5.219 ( 1.972 0.000 -4.041) 4.497 5.304 ( -1.570 0.000 0.287) 1.596 5.345 ( -2.158 0.000 2.822) 3.553 5.385 ( -0.934 0.000 0.028) 0.934 5.409 ( -0.305 0.000 -3.272) 3.286 5.591 ( -1.785 0.000 -0.403) 1.829 5.606 ( -1.101 0.000 -1.528) 1.884 5.969 ( 0.775 0.000 8.019) 8.056 6.046 ( -2.552 0.000 -4.877) 5.505 6.382 ( -3.455 0.000 -3.179) 4.696 6.418 ( 2.169 0.000 3.517) 4.132 6.934 ( -2.561 0.000 4.106) 4.839 7.055 ( -3.696 0.000 -5.231) 6.405 7.678 ( -0.670 0.000 -5.098) 5.142 7.922 ( 0.998 0.000 -0.241) 1.027 7.952 ( 1.660 0.000 0.815) 1.849 8.041 ( -0.585 0.000 -1.831) 1.922 8.069 ( -0.619 0.000 1.219) 1.367 8.091 ( 1.156 0.000 -2.334) 2.605 8.179 ( 2.064 0.000 6.732) 7.041 8.481 ( 4.408 0.000 1.722) 4.733 ======================= Grid point 65 (23/72) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 6.778 0.000 -10.030) 12.106 0.719 ( 8.382 0.000 9.431) 12.617 0.747 ( 3.466 0.000 -9.858) 10.450 0.885 ( 9.215 0.000 11.878) 15.033 0.973 ( -1.234 0.000 -2.458) 2.751 0.984 ( -1.867 0.000 -1.180) 2.208 1.238 ( 2.617 0.000 0.421) 2.650 1.242 ( -4.657 0.000 0.299) 4.667 1.310 ( -3.548 0.000 1.778) 3.968 1.458 ( 1.703 0.000 -7.438) 7.630 1.504 ( 8.366 0.000 13.673) 16.029 1.550 ( 6.281 0.000 -0.793) 6.331 1.637 ( 3.740 0.000 -10.785) 11.415 1.699 ( 5.126 0.000 5.970) 7.869 1.930 ( -2.141 0.000 1.584) 2.663 2.040 ( -2.655 0.000 -4.720) 5.416 2.126 ( -4.831 0.000 2.859) 5.614 2.218 ( -4.234 0.000 -3.474) 5.477 2.331 ( 1.671 0.000 2.259) 2.810 2.435 ( -1.979 0.000 -1.495) 2.481 2.451 ( 0.469 0.000 -1.428) 1.503 2.476 ( 0.231 0.000 -1.430) 1.448 2.591 ( -0.905 0.000 0.420) 0.998 2.610 ( 0.184 0.000 -1.814) 1.823 2.675 ( 0.037 0.000 2.544) 2.544 2.750 ( -0.724 0.000 -1.960) 2.089 2.756 ( -0.812 0.000 -0.929) 1.234 2.793 ( -4.196 0.000 0.124) 4.198 2.809 ( -3.548 0.000 1.301) 3.779 2.882 ( 2.158 0.000 -0.732) 2.278 2.943 ( 6.757 0.000 -5.243) 8.552 3.039 ( 3.337 0.000 -0.674) 3.404 3.074 ( 0.531 0.000 2.725) 2.776 3.084 ( 6.187 0.000 5.228) 8.100 3.226 ( 2.716 0.000 -0.676) 2.799 3.247 ( 5.373 0.000 9.153) 10.613 3.343 ( -0.750 0.000 -1.881) 2.026 3.420 ( -2.319 0.000 -1.102) 2.567 3.450 ( 2.872 0.000 2.173) 3.602 3.579 ( 0.360 0.000 -2.564) 2.589 3.596 ( 1.294 0.000 -0.348) 1.340 3.659 ( -2.029 0.000 -0.674) 2.138 3.736 ( -4.000 0.000 1.563) 4.294 3.789 ( -1.679 0.000 1.835) 2.487 3.790 ( -1.584 0.000 0.742) 1.749 3.932 ( -7.243 0.000 -6.706) 9.871 3.956 ( 2.123 0.000 4.110) 4.626 4.034 ( 4.383 0.000 3.297) 5.484 4.115 ( -0.987 0.000 -3.818) 3.943 4.189 ( 2.804 0.000 3.936) 4.832 4.354 ( -1.023 0.000 -4.380) 4.498 4.416 ( 0.406 0.000 3.999) 4.020 4.554 ( 4.259 0.000 0.594) 4.300 4.555 ( -3.377 0.000 -0.094) 3.378 4.646 ( -2.380 0.000 0.083) 2.382 4.677 ( 3.651 0.000 -1.106) 3.815 4.755 ( 1.226 0.000 6.007) 6.131 4.847 ( 4.685 0.000 -8.600) 9.793 4.869 ( -0.407 0.000 -1.788) 1.834 4.931 ( -3.418 0.000 0.506) 3.455 4.958 ( -1.900 0.000 -3.003) 3.553 5.005 ( -2.198 0.000 1.232) 2.520 5.203 ( -1.463 0.000 -5.471) 5.663 5.217 ( -0.449 0.000 4.898) 4.919 5.273 ( 0.100 0.000 0.122) 0.158 5.316 ( -1.400 0.000 1.331) 1.931 5.358 ( -1.257 0.000 -0.215) 1.275 5.394 ( -0.973 0.000 0.306) 1.020 5.556 ( -1.064 0.000 -1.125) 1.548 5.584 ( 0.710 0.000 -1.680) 1.824 5.939 ( -4.521 0.000 -5.345) 7.001 6.029 ( -2.543 0.000 6.904) 7.358 6.307 ( -1.594 0.000 -2.495) 2.961 6.462 ( 0.549 0.000 1.118) 1.246 6.912 ( -4.017 0.000 3.287) 5.191 6.945 ( -4.003 0.000 -3.279) 5.175 7.654 ( 3.783 0.000 -5.374) 6.572 7.879 ( -5.765 0.000 5.675) 8.089 8.008 ( 4.383 0.000 -2.956) 5.287 8.017 ( -0.876 0.000 -0.541) 1.029 8.088 ( 1.055 0.000 1.452) 1.795 8.106 ( 3.098 0.000 -2.486) 3.972 8.299 ( 4.791 0.000 2.930) 5.616 8.552 ( 1.366 0.000 2.079) 2.487 ======================= Grid point 66 (24/72) ======================= q-point: ( 0.38 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 10.504 0.000 -2.343) 10.762 0.709 ( -1.775 0.000 -1.952) 2.638 0.932 ( 6.615 0.000 7.299) 9.851 0.958 ( -1.328 0.000 0.573) 1.447 0.995 ( 7.302 0.000 -2.997) 7.893 1.128 ( -2.870 0.000 -3.439) 4.479 1.142 ( 8.120 0.000 9.694) 12.646 1.242 ( -1.240 0.000 -1.976) 2.333 1.250 ( -8.526 0.000 6.009) 10.431 1.369 ( -4.443 0.000 -5.127) 6.784 1.612 ( 1.993 0.000 -8.149) 8.389 1.617 ( -1.669 0.000 2.321) 2.858 1.677 ( 11.780 0.000 -5.886) 13.168 1.843 ( 5.957 0.000 -2.453) 6.442 1.931 ( -0.934 0.000 0.765) 1.207 1.957 ( -3.365 0.000 -4.566) 5.672 2.099 ( -2.370 0.000 7.461) 7.829 2.159 ( -0.333 0.000 0.048) 0.337 2.344 ( -3.097 0.000 4.318) 5.314 2.384 ( 1.417 0.000 -2.570) 2.935 2.456 ( 1.679 0.000 -0.825) 1.871 2.487 ( -0.181 0.000 0.946) 0.963 2.579 ( -1.005 0.000 0.278) 1.043 2.636 ( 1.393 0.000 1.873) 2.334 2.690 ( -0.200 0.000 1.692) 1.704 2.695 ( -3.650 0.000 1.333) 3.885 2.732 ( 0.827 0.000 -1.910) 2.081 2.748 ( -2.155 0.000 0.125) 2.158 2.794 ( -1.418 0.000 3.757) 4.015 2.913 ( 1.960 0.000 -0.815) 2.123 2.956 ( 1.526 0.000 -5.121) 5.344 3.082 ( 2.942 0.000 -3.443) 4.528 3.107 ( 1.244 0.000 1.912) 2.281 3.195 ( 1.522 0.000 3.265) 3.603 3.268 ( 3.187 0.000 -0.966) 3.330 3.328 ( 0.353 0.000 -0.649) 0.739 3.395 ( 0.111 0.000 0.599) 0.609 3.430 ( 3.009 0.000 8.725) 9.230 3.494 ( -0.628 0.000 -1.026) 1.203 3.547 ( 2.011 0.000 -3.041) 3.646 3.577 ( -4.587 0.000 1.703) 4.893 3.612 ( -1.294 0.000 -1.194) 1.760 3.734 ( 0.348 0.000 -2.783) 2.804 3.744 ( -3.173 0.000 -2.218) 3.871 3.771 ( -1.060 0.000 1.053) 1.494 3.786 ( -2.310 0.000 3.325) 4.049 4.020 ( 0.793 0.000 1.237) 1.469 4.051 ( -0.959 0.000 -2.571) 2.744 4.140 ( 3.673 0.000 0.147) 3.676 4.254 ( 0.686 0.000 0.655) 0.948 4.319 ( 0.570 0.000 0.140) 0.587 4.443 ( -0.399 0.000 -0.445) 0.598 4.507 ( -1.780 0.000 -0.543) 1.861 4.569 ( -2.289 0.000 -1.438) 2.703 4.635 ( 3.178 0.000 0.605) 3.235 4.721 ( 2.120 0.000 -0.802) 2.267 4.768 ( -3.687 0.000 1.243) 3.891 4.840 ( 3.645 0.000 -7.695) 8.515 4.869 ( 1.779 0.000 -0.606) 1.880 4.893 ( -0.618 0.000 -0.584) 0.850 4.975 ( 1.565 0.000 2.865) 3.265 4.982 ( -1.652 0.000 0.465) 1.716 5.102 ( -4.085 0.000 1.117) 4.235 5.223 ( -2.378 0.000 3.509) 4.239 5.313 ( 3.612 0.000 -1.539) 3.926 5.331 ( 0.479 0.000 0.195) 0.517 5.354 ( 0.765 0.000 0.350) 0.841 5.381 ( -1.649 0.000 2.496) 2.992 5.534 ( -0.368 0.000 -1.389) 1.437 5.605 ( 2.276 0.000 -0.187) 2.284 5.818 ( -3.321 0.000 -3.735) 4.998 5.999 ( -6.479 0.000 3.804) 7.514 6.290 ( 0.589 0.000 -0.290) 0.656 6.462 ( -0.212 0.000 -1.412) 1.428 6.870 ( -3.441 0.000 1.801) 3.884 6.873 ( -1.819 0.000 -1.352) 2.266 7.697 ( 5.425 0.000 -2.989) 6.195 7.836 ( -4.334 0.000 2.781) 5.149 8.000 ( -1.169 0.000 0.563) 1.298 8.043 ( 2.895 0.000 -2.774) 4.009 8.115 ( 0.389 0.000 1.207) 1.268 8.140 ( 3.037 0.000 -1.830) 3.546 8.385 ( 2.245 0.000 2.783) 3.576 8.565 ( -0.573 0.000 0.031) 0.573 ======================= Grid point 67 (25/72) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -0.613 0.000 -0.444) 0.757 0.673 ( 4.582 0.000 0.755) 4.644 0.950 ( 0.422 0.000 1.090) 1.169 1.052 ( -6.962 0.000 -5.814) 9.070 1.054 ( 2.948 0.000 3.460) 4.546 1.125 ( -8.738 0.000 7.620) 11.593 1.167 ( 5.917 0.000 4.115) 7.207 1.172 ( 2.049 0.000 3.325) 3.905 1.272 ( -2.336 0.000 -3.071) 3.858 1.391 ( 7.983 0.000 6.798) 10.485 1.523 ( -0.699 0.000 -11.233) 11.255 1.560 ( -4.222 0.000 -2.814) 5.074 1.733 ( -0.371 0.000 -9.893) 9.900 1.776 ( -5.617 0.000 -11.203) 12.532 1.905 ( 2.957 0.000 1.351) 3.251 1.926 ( 1.087 0.000 0.039) 1.088 2.174 ( 2.086 0.000 7.533) 7.817 2.215 ( 2.571 0.000 5.538) 6.106 2.302 ( -3.736 0.000 -0.022) 3.736 2.414 ( 2.202 0.000 -1.781) 2.832 2.498 ( 3.153 0.000 0.850) 3.265 2.500 ( -1.680 0.000 2.975) 3.416 2.558 ( -1.297 0.000 0.421) 1.364 2.644 ( -0.217 0.000 0.042) 0.221 2.691 ( 0.235 0.000 2.911) 2.920 2.704 ( -0.873 0.000 1.381) 1.634 2.726 ( -0.369 0.000 0.472) 0.599 2.739 ( 1.615 0.000 -0.904) 1.851 2.818 ( -0.959 0.000 5.316) 5.401 2.931 ( 0.904 0.000 -0.632) 1.103 2.943 ( 1.573 0.000 -3.207) 3.572 3.066 ( 0.800 0.000 -5.856) 5.910 3.138 ( 0.241 0.000 1.549) 1.568 3.189 ( -3.211 0.000 -0.334) 3.228 3.299 ( 0.547 0.000 -0.789) 0.960 3.324 ( -0.171 0.000 -1.772) 1.780 3.398 ( -1.360 0.000 0.358) 1.407 3.426 ( -5.001 0.000 3.717) 6.231 3.450 ( -0.655 0.000 -2.928) 3.000 3.573 ( 2.679 0.000 -3.140) 4.128 3.585 ( 1.438 0.000 3.989) 4.241 3.608 ( 0.974 0.000 1.740) 1.994 3.681 ( -0.105 0.000 0.669) 0.677 3.766 ( -2.241 0.000 0.750) 2.363 3.767 ( 0.636 0.000 1.989) 2.088 3.849 ( 4.794 0.000 4.774) 6.765 3.964 ( -2.480 0.000 -3.728) 4.478 4.038 ( -1.522 0.000 -4.669) 4.911 4.162 ( 0.703 0.000 -0.200) 0.731 4.217 ( -2.078 0.000 -2.514) 3.262 4.385 ( 3.085 0.000 4.442) 5.408 4.395 ( -2.107 0.000 -2.288) 3.110 4.480 ( -0.642 0.000 -1.402) 1.542 4.555 ( 0.402 0.000 -0.517) 0.654 4.680 ( 1.563 0.000 -0.096) 1.566 4.705 ( -4.249 0.000 1.049) 4.377 4.725 ( 0.007 0.000 -1.577) 1.577 4.835 ( 2.421 0.000 -4.040) 4.710 4.886 ( -0.007 0.000 -0.632) 0.632 4.912 ( 3.722 0.000 -1.563) 4.037 4.955 ( -1.343 0.000 -0.360) 1.390 4.969 ( -0.779 0.000 -0.393) 0.872 5.168 ( 3.067 0.000 8.354) 8.899 5.216 ( -2.096 0.000 2.760) 3.466 5.329 ( -0.118 0.000 0.260) 0.286 5.337 ( 1.142 0.000 -0.939) 1.479 5.379 ( -1.314 0.000 1.732) 2.174 5.385 ( 1.188 0.000 0.776) 1.419 5.520 ( 0.724 0.000 -1.392) 1.569 5.602 ( -1.081 0.000 -2.824) 3.024 5.830 ( 5.299 0.000 2.568) 5.888 5.910 ( -5.512 0.000 -0.058) 5.512 6.307 ( 0.762 0.000 1.438) 1.627 6.433 ( -0.449 0.000 -3.421) 3.450 6.840 ( -1.316 0.000 0.710) 1.495 6.861 ( 1.294 0.000 -0.190) 1.308 7.767 ( 4.226 0.000 -0.140) 4.229 7.777 ( -4.046 0.000 -0.479) 4.074 7.987 ( -1.173 0.000 0.895) 1.475 8.055 ( 1.340 0.000 -2.381) 2.733 8.118 ( -1.355 0.000 0.791) 1.569 8.164 ( 1.326 0.000 -1.173) 1.770 8.430 ( -0.026 0.000 3.354) 3.354 8.544 ( -0.821 0.000 -1.648) 1.841 ======================= Grid point 68 (26/72) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -1.868 0.000 -5.043) 5.378 0.723 ( 0.131 0.000 0.457) 0.476 0.856 ( -5.810 0.000 -0.977) 5.891 0.888 ( -10.521 0.000 4.790) 11.560 1.086 ( -1.250 0.000 6.748) 6.862 1.169 ( 6.201 0.000 3.904) 7.327 1.189 ( -4.014 0.000 -4.153) 5.776 1.254 ( -1.428 0.000 3.510) 3.790 1.338 ( 1.716 0.000 4.054) 4.402 1.414 ( 2.281 0.000 -3.781) 4.416 1.416 ( -9.612 0.000 -3.476) 10.221 1.508 ( -0.586 0.000 0.625) 0.857 1.540 ( -7.384 0.000 -9.218) 11.811 1.684 ( 7.719 0.000 -4.695) 9.035 1.946 ( 0.455 0.000 0.988) 1.088 1.985 ( 4.420 0.000 0.098) 4.421 2.247 ( -1.479 0.000 -2.968) 3.317 2.262 ( 0.509 0.000 4.721) 4.748 2.305 ( 0.848 0.000 6.578) 6.633 2.359 ( -2.650 0.000 -7.373) 7.835 2.500 ( 0.650 0.000 0.772) 1.009 2.554 ( 1.269 0.000 0.535) 1.377 2.560 ( -0.480 0.000 3.000) 3.038 2.639 ( 0.582 0.000 -2.519) 2.585 2.711 ( 0.340 0.000 3.175) 3.193 2.737 ( 2.094 0.000 -0.130) 2.098 2.748 ( 3.102 0.000 0.975) 3.251 2.770 ( 1.671 0.000 0.962) 1.928 2.859 ( -0.523 0.000 6.335) 6.357 2.908 ( -1.322 0.000 -5.334) 5.496 2.925 ( -0.961 0.000 -0.980) 1.373 3.028 ( 1.296 0.000 -5.038) 5.202 3.108 ( -5.278 0.000 0.026) 5.278 3.154 ( -1.225 0.000 3.719) 3.916 3.275 ( -1.758 0.000 -0.570) 1.848 3.301 ( -2.208 0.000 2.283) 3.176 3.370 ( -1.175 0.000 -0.019) 1.176 3.411 ( -1.695 0.000 -1.548) 2.296 3.420 ( -0.884 0.000 2.543) 2.692 3.597 ( 2.234 0.000 -1.654) 2.780 3.632 ( 1.118 0.000 1.299) 1.714 3.635 ( 0.628 0.000 -0.644) 0.899 3.719 ( 1.809 0.000 4.045) 4.431 3.739 ( 0.389 0.000 -1.733) 1.776 3.822 ( 0.960 0.000 6.530) 6.600 3.894 ( -1.548 0.000 -3.605) 3.923 3.916 ( -4.397 0.000 -6.953) 8.227 3.961 ( 3.554 0.000 2.867) 4.567 4.157 ( -2.719 0.000 -1.943) 3.342 4.188 ( 1.503 0.000 1.167) 1.903 4.346 ( -2.446 0.000 -0.310) 2.465 4.453 ( -0.612 0.000 -1.256) 1.397 4.483 ( 3.704 0.000 2.815) 4.653 4.549 ( 0.448 0.000 -2.491) 2.531 4.642 ( -4.787 0.000 1.542) 5.029 4.688 ( -0.346 0.000 -0.325) 0.474 4.702 ( -0.885 0.000 -1.689) 1.907 4.848 ( 2.372 0.000 -1.617) 2.871 4.882 ( 0.617 0.000 -0.670) 0.911 4.907 ( 0.010 0.000 -4.155) 4.155 4.978 ( 2.761 0.000 0.534) 2.812 4.986 ( 2.210 0.000 0.780) 2.343 5.198 ( -2.813 0.000 2.052) 3.482 5.265 ( 1.424 0.000 2.439) 2.824 5.336 ( -0.759 0.000 2.045) 2.182 5.338 ( -0.172 0.000 -0.752) 0.771 5.377 ( 1.284 0.000 -0.987) 1.620 5.408 ( 0.207 0.000 3.336) 3.342 5.547 ( 2.473 0.000 1.141) 2.723 5.561 ( 0.269 0.000 -3.878) 3.887 5.824 ( -2.387 0.000 -4.079) 4.726 5.972 ( 6.406 0.000 4.024) 7.565 6.346 ( 1.641 0.000 2.903) 3.334 6.385 ( -0.931 0.000 -4.486) 4.581 6.839 ( 0.554 0.000 0.243) 0.605 6.913 ( 4.878 0.000 0.226) 4.884 7.690 ( -4.200 0.000 -3.249) 5.310 7.827 ( 1.109 0.000 3.031) 3.228 7.981 ( 0.392 0.000 -0.319) 0.505 8.043 ( -0.270 0.000 -2.002) 2.020 8.083 ( -3.388 0.000 0.464) 3.419 8.162 ( -0.447 0.000 -0.753) 0.876 8.457 ( -0.993 0.000 5.170) 5.264 8.509 ( -1.126 0.000 -2.587) 2.821 ======================= Grid point 69 (27/72) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -12.306 0.000 -8.967) 15.226 0.558 ( -15.106 0.000 -2.957) 15.393 0.881 ( -4.182 0.000 5.789) 7.141 0.919 ( 6.130 0.000 4.485) 7.595 1.040 ( -16.067 0.000 5.136) 16.868 1.075 ( -3.409 0.000 -4.754) 5.850 1.139 ( -1.621 0.000 7.987) 8.149 1.250 ( -1.496 0.000 -10.176) 10.285 1.268 ( -5.758 0.000 -6.308) 8.541 1.309 ( 4.883 0.000 3.646) 6.094 1.422 ( -5.727 0.000 7.480) 9.421 1.435 ( -1.553 0.000 -0.568) 1.654 1.641 ( 11.112 0.000 2.222) 11.332 1.797 ( 6.873 0.000 -2.531) 7.324 1.974 ( 2.038 0.000 0.507) 2.100 2.048 ( 3.841 0.000 -1.433) 4.099 2.135 ( -4.906 0.000 -3.256) 5.888 2.305 ( 1.577 0.000 1.597) 2.244 2.333 ( 4.041 0.000 -4.473) 6.028 2.343 ( -2.678 0.000 5.567) 6.178 2.502 ( 0.834 0.000 -2.028) 2.193 2.515 ( -3.520 0.000 -2.902) 4.562 2.589 ( -0.674 0.000 4.340) 4.392 2.626 ( -0.113 0.000 -0.938) 0.945 2.729 ( -2.097 0.000 -1.354) 2.496 2.763 ( 0.998 0.000 2.917) 3.083 2.786 ( -0.333 0.000 -5.567) 5.577 2.809 ( 1.787 0.000 -1.046) 2.070 2.829 ( -0.940 0.000 -3.347) 3.476 2.876 ( 0.694 0.000 0.199) 0.722 2.934 ( -0.316 0.000 3.567) 3.581 3.012 ( 2.189 0.000 -5.153) 5.599 3.055 ( -2.622 0.000 4.728) 5.406 3.156 ( -2.794 0.000 3.605) 4.561 3.274 ( 1.545 0.000 2.921) 3.304 3.289 ( -1.632 0.000 -1.537) 2.242 3.368 ( -0.452 0.000 7.407) 7.421 3.374 ( -1.511 0.000 0.301) 1.541 3.435 ( 0.388 0.000 1.058) 1.127 3.575 ( -2.407 0.000 -1.882) 3.055 3.623 ( -0.737 0.000 -2.120) 2.245 3.656 ( 2.006 0.000 -1.429) 2.463 3.722 ( -1.025 0.000 -5.398) 5.494 3.793 ( 1.248 0.000 5.015) 5.168 3.832 ( 1.107 0.000 -1.359) 1.752 3.854 ( 0.725 0.000 -2.647) 2.744 3.914 ( 0.165 0.000 10.713) 10.714 4.017 ( 0.939 0.000 2.069) 2.272 4.086 ( -3.244 0.000 -1.934) 3.776 4.226 ( 1.028 0.000 1.889) 2.150 4.307 ( -1.483 0.000 -0.497) 1.564 4.441 ( 1.555 0.000 -2.973) 3.355 4.526 ( -1.411 0.000 -0.380) 1.462 4.544 ( 1.312 0.000 -0.272) 1.340 4.578 ( -4.099 0.000 1.391) 4.328 4.664 ( -1.381 0.000 -1.947) 2.386 4.667 ( -1.544 0.000 -0.551) 1.639 4.868 ( 1.171 0.000 -2.653) 2.900 4.900 ( 3.222 0.000 -0.514) 3.263 4.905 ( 3.510 0.000 -1.481) 3.810 5.023 ( 1.918 0.000 0.234) 1.932 5.039 ( 3.027 0.000 0.197) 3.033 5.154 ( -3.973 0.000 0.388) 3.992 5.279 ( -0.582 0.000 1.038) 1.190 5.328 ( -1.632 0.000 0.831) 1.831 5.334 ( 0.186 0.000 -0.368) 0.412 5.408 ( 4.554 0.000 -4.107) 6.133 5.437 ( -0.285 0.000 1.946) 1.967 5.536 ( 0.653 0.000 -3.259) 3.324 5.593 ( 0.621 0.000 0.610) 0.871 5.769 ( 0.501 0.000 -2.415) 2.466 6.095 ( 3.894 0.000 3.518) 5.248 6.316 ( -2.352 0.000 -4.508) 5.085 6.411 ( 2.437 0.000 2.821) 3.728 6.860 ( 1.357 0.000 0.611) 1.488 7.019 ( 7.130 0.000 -0.526) 7.149 7.576 ( -4.710 0.000 -5.069) 6.919 7.849 ( -2.956 0.000 4.574) 5.446 8.000 ( -3.603 0.000 -0.620) 3.656 8.005 ( 3.520 0.000 -1.507) 3.829 8.032 ( -2.290 0.000 0.222) 2.301 8.140 ( -1.222 0.000 -0.707) 1.412 8.458 ( -1.647 0.000 -3.236) 3.631 8.507 ( 0.180 0.000 7.481) 7.483 ======================= Grid point 70 (28/72) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.164 ( -10.680 0.000 -1.493) 10.784 0.275 ( -14.399 0.000 4.749) 15.161 0.623 ( -25.162 0.000 16.548) 30.116 0.962 ( 0.852 0.000 -7.686) 7.733 1.053 ( -1.875 0.000 -5.259) 5.583 1.066 ( 1.302 0.000 -0.071) 1.304 1.120 ( 0.590 0.000 -1.948) 2.036 1.178 ( 2.148 0.000 -1.529) 2.636 1.207 ( -0.642 0.000 10.137) 10.157 1.360 ( -1.252 0.000 -1.739) 2.143 1.400 ( -3.951 0.000 4.889) 6.286 1.426 ( -0.758 0.000 4.856) 4.915 1.778 ( 2.800 0.000 -6.738) 7.296 1.848 ( 6.752 0.000 -6.444) 9.334 2.006 ( 2.235 0.000 1.910) 2.940 2.094 ( 3.967 0.000 -2.193) 4.533 2.109 ( 0.294 0.000 0.874) 0.922 2.265 ( -5.984 0.000 -0.659) 6.020 2.346 ( 1.648 0.000 -3.416) 3.793 2.402 ( 3.084 0.000 5.148) 6.001 2.453 ( -0.600 0.000 0.402) 0.723 2.511 ( 2.463 0.000 -1.998) 3.171 2.606 ( -2.005 0.000 2.646) 3.320 2.618 ( 0.223 0.000 -0.792) 0.823 2.642 ( -5.489 0.000 -1.830) 5.786 2.717 ( -0.252 0.000 -2.071) 2.086 2.756 ( -1.647 0.000 0.821) 1.841 2.798 ( 0.701 0.000 0.341) 0.779 2.871 ( 2.718 0.000 0.064) 2.719 2.879 ( 0.165 0.000 -1.878) 1.886 2.937 ( -1.832 0.000 2.088) 2.777 2.994 ( 1.179 0.000 -7.177) 7.273 3.074 ( -0.252 0.000 1.938) 1.954 3.133 ( -4.603 0.000 -1.063) 4.724 3.150 ( -7.228 0.000 -7.373) 10.325 3.333 ( 1.711 0.000 -0.253) 1.729 3.382 ( -0.019 0.000 0.365) 0.365 3.444 ( 0.247 0.000 -0.324) 0.408 3.495 ( -1.966 0.000 -6.820) 7.098 3.522 ( 4.345 0.000 8.213) 9.292 3.560 ( -2.929 0.000 -0.472) 2.967 3.687 ( 4.202 0.000 0.511) 4.233 3.706 ( 1.814 0.000 5.339) 5.639 3.839 ( 0.207 0.000 -0.046) 0.212 3.840 ( 0.353 0.000 1.587) 1.625 3.898 ( 3.321 0.000 0.869) 3.433 3.949 ( -5.184 0.000 1.562) 5.415 4.047 ( 1.134 0.000 -0.823) 1.401 4.075 ( 1.218 0.000 0.517) 1.323 4.234 ( -1.039 0.000 -0.534) 1.169 4.301 ( 0.832 0.000 0.321) 0.891 4.441 ( 1.384 0.000 2.450) 2.813 4.504 ( -3.016 0.000 3.088) 4.317 4.530 ( -0.885 0.000 1.117) 1.425 4.539 ( -1.139 0.000 0.973) 1.498 4.634 ( -1.664 0.000 0.236) 1.680 4.646 ( 2.134 0.000 0.620) 2.223 4.879 ( 2.228 0.000 -0.233) 2.240 4.943 ( 0.370 0.000 -2.395) 2.424 4.969 ( 5.331 0.000 -1.935) 5.672 5.021 ( -1.658 0.000 -3.607) 3.970 5.081 ( 2.408 0.000 -1.023) 2.616 5.083 ( -2.398 0.000 0.864) 2.549 5.280 ( -1.012 0.000 1.886) 2.140 5.300 ( -1.241 0.000 -0.892) 1.528 5.318 ( -1.401 0.000 -1.625) 2.146 5.434 ( -1.082 0.000 0.041) 1.083 5.449 ( 4.974 0.000 -2.594) 5.610 5.532 ( 0.678 0.000 1.177) 1.359 5.587 ( 1.134 0.000 -2.100) 2.387 5.800 ( 0.892 0.000 5.001) 5.080 6.160 ( 0.358 0.000 0.168) 0.396 6.244 ( -1.366 0.000 0.334) 1.407 6.463 ( 1.158 0.000 0.855) 1.439 6.892 ( 1.012 0.000 1.920) 2.170 7.114 ( 5.280 0.000 -2.496) 5.841 7.462 ( -3.477 0.000 1.634) 3.842 7.818 ( -4.370 0.000 2.411) 4.991 7.942 ( -3.098 0.000 1.827) 3.597 8.007 ( -1.156 0.000 0.796) 1.403 8.057 ( 3.306 0.000 -1.227) 3.527 8.113 ( -0.810 0.000 -0.863) 1.184 8.403 ( -0.518 0.000 -3.486) 3.524 8.585 ( 0.945 0.000 1.035) 1.402 ======================= Grid point 71 (29/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -7.161 8.042 9.955) 14.665 0.448 ( -3.506 7.900 13.673) 16.176 0.754 ( 0.566 10.015 0.149) 10.032 0.843 ( 3.644 8.554 1.752) 9.462 0.938 ( 1.573 2.117 -6.381) 6.905 1.057 ( -0.545 0.176 -0.213) 0.611 1.106 ( -1.103 -3.033 -2.311) 3.969 1.215 ( 1.185 -0.992 2.396) 2.851 1.255 ( -1.441 -1.291 2.474) 3.141 1.305 ( -2.115 1.438 5.677) 6.227 1.380 ( -0.460 -1.102 3.353) 3.559 1.428 ( 1.708 -2.190 4.158) 5.000 1.681 ( 1.760 0.715 -10.529) 10.700 1.841 ( -0.522 -0.093 -12.215) 12.226 1.964 ( -3.048 -8.166 2.339) 9.025 2.075 ( 0.598 -4.529 -2.951) 5.439 2.101 ( 2.206 0.497 2.067) 3.064 2.255 ( 0.932 2.454 0.920) 2.781 2.404 ( -1.672 -3.348 -1.830) 4.166 2.434 ( 0.647 4.186 -2.529) 4.933 2.483 ( 2.042 -3.056 1.820) 4.101 2.541 ( -2.906 2.462 -1.443) 4.073 2.578 ( 0.214 2.402 4.294) 4.925 2.649 ( -0.493 3.660 -0.440) 3.719 2.667 ( 0.590 3.386 -1.075) 3.601 2.687 ( -5.589 -2.558 -0.431) 6.162 2.714 ( 3.694 -1.564 3.453) 5.292 2.818 ( 0.711 0.804 -0.354) 1.130 2.877 ( 0.265 2.319 1.051) 2.559 2.892 ( 0.623 1.904 -1.240) 2.356 2.919 ( 0.084 1.468 0.368) 1.516 2.930 ( 1.094 0.944 0.348) 1.487 2.988 ( -2.699 -1.704 -0.511) 3.233 3.045 ( 0.525 -0.089 -2.442) 2.499 3.145 ( -0.546 0.603 -0.940) 1.243 3.225 ( -4.075 -3.002 -6.980) 8.622 3.385 ( 0.839 3.418 1.112) 3.691 3.451 ( -0.895 0.001 2.091) 2.274 3.489 ( -0.793 -0.255 3.696) 3.789 3.541 ( 3.428 3.261 0.537) 4.761 3.560 ( 0.427 0.862 -0.863) 1.292 3.671 ( -1.736 0.344 -4.082) 4.449 3.776 ( 1.562 -2.436 4.666) 5.491 3.829 ( 0.853 -0.285 0.473) 1.017 3.858 ( -0.828 1.525 1.560) 2.334 3.869 ( -3.367 2.109 1.004) 4.098 4.008 ( 1.721 2.163 4.619) 5.383 4.063 ( -1.701 1.018 1.361) 2.405 4.121 ( -0.730 3.296 -0.771) 3.463 4.225 ( -0.077 1.481 -1.672) 2.234 4.296 ( -0.930 -2.522 1.381) 3.023 4.426 ( 0.042 -3.174 -1.515) 3.517 4.479 ( 1.179 -2.546 -0.155) 2.810 4.519 ( -1.084 0.341 -1.661) 2.012 4.603 ( 0.479 -0.263 3.649) 3.690 4.616 ( 4.033 1.509 2.072) 4.779 4.744 ( 0.433 0.295 -1.955) 2.024 4.823 ( 0.540 0.320 -6.180) 6.212 4.955 ( 0.033 -1.262 1.372) 1.865 4.980 ( 2.795 -3.684 3.241) 5.647 5.007 ( 0.173 -1.188 1.816) 2.177 5.077 ( -1.082 0.950 -1.724) 2.246 5.088 ( -0.085 -1.837 1.020) 2.103 5.229 ( 0.368 -1.027 -3.043) 3.233 5.295 ( 0.494 -2.056 0.767) 2.250 5.334 ( -0.211 0.185 1.901) 1.922 5.401 ( -0.919 1.378 -0.966) 1.918 5.497 ( -1.066 -0.426 -1.414) 1.822 5.570 ( 0.064 -1.871 0.207) 1.884 5.651 ( 0.342 2.729 -3.955) 4.817 5.886 ( 1.150 0.511 6.457) 6.579 6.106 ( -1.422 -1.345 -3.598) 4.096 6.298 ( 2.586 -1.045 5.189) 5.891 6.434 ( -1.428 -1.890 -1.400) 2.752 7.104 ( -1.773 10.410 -6.747) 12.531 7.187 ( 0.676 4.940 -6.047) 7.838 7.661 ( 14.907 -3.209 3.107) 15.561 7.732 ( -0.670 -2.111 -1.431) 2.636 7.952 ( -0.154 1.248 2.164) 2.503 7.990 ( -2.112 -1.380 0.981) 2.707 8.083 ( -0.025 0.025 -0.229) 0.232 8.097 ( -0.881 0.417 -0.690) 1.194 8.206 ( -12.241 -6.635 9.092) 16.629 8.372 ( 2.950 -2.932 -1.924) 4.583 ======================= Grid point 72 (30/72) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 3.976 2.301 10.003) 11.008 0.613 ( 4.929 3.938 10.988) 12.671 0.661 ( 3.551 7.272 -5.339) 9.695 0.891 ( -0.415 5.107 -9.195) 10.526 0.976 ( -0.604 -0.083 0.452) 0.759 1.063 ( 2.547 -2.106 -5.153) 6.122 1.173 ( 6.201 7.606 11.477) 15.100 1.217 ( 1.738 1.831 -0.902) 2.681 1.307 ( 0.346 -2.479 4.987) 5.580 1.340 ( 1.283 2.277 5.917) 6.469 1.430 ( 3.049 -0.416 1.760) 3.545 1.511 ( 1.989 -0.540 1.032) 2.305 1.610 ( 4.379 4.041 -7.427) 9.522 1.702 ( -1.772 -2.348 -10.123) 10.542 1.915 ( -4.202 -5.468 2.660) 7.391 2.046 ( -1.759 -5.474 -2.589) 6.305 2.155 ( -0.650 -2.215 0.783) 2.438 2.271 ( 2.933 -0.149 -0.432) 2.968 2.313 ( -5.386 -0.785 -1.589) 5.670 2.462 ( 2.694 1.148 -0.203) 2.935 2.483 ( -2.233 2.391 0.630) 3.332 2.541 ( 0.999 1.703 1.282) 2.354 2.602 ( -1.265 -0.161 -0.783) 1.497 2.643 ( 0.264 2.018 -0.306) 2.058 2.658 ( 0.626 -0.313 2.250) 2.356 2.674 ( 2.555 0.223 -0.112) 2.567 2.787 ( 1.282 -1.337 -2.180) 2.861 2.799 ( -0.052 -2.299 -0.338) 2.325 2.873 ( -2.735 0.299 0.671) 2.832 2.898 ( -0.096 1.643 -0.302) 1.674 2.924 ( -3.419 2.011 -1.099) 4.116 2.955 ( 3.532 0.823 0.590) 3.674 2.992 ( 5.094 1.617 0.451) 5.363 3.037 ( 2.255 1.050 -1.032) 2.693 3.138 ( 0.722 0.096 0.762) 1.054 3.169 ( 1.177 -2.779 -0.802) 3.123 3.405 ( -0.508 2.703 -0.178) 2.757 3.434 ( -0.046 2.872 1.492) 3.237 3.491 ( -2.635 1.138 0.547) 2.922 3.547 ( 0.595 -0.659 -1.014) 1.348 3.612 ( 0.778 1.385 -4.104) 4.401 3.648 ( 4.820 2.332 1.865) 5.670 3.780 ( -3.161 -1.073 1.438) 3.635 3.835 ( -0.606 -1.219 1.750) 2.217 3.844 ( -2.248 1.677 0.374) 2.829 3.882 ( 0.749 1.188 1.325) 1.930 4.012 ( -3.054 2.892 2.418) 4.852 4.095 ( -2.249 3.408 1.918) 4.511 4.117 ( 2.495 0.657 3.467) 4.322 4.194 ( -0.242 2.716 -4.478) 5.243 4.312 ( 0.041 -4.144 3.847) 5.654 4.409 ( 0.729 -1.950 -3.343) 3.939 4.478 ( 0.163 -2.710 -0.014) 2.715 4.513 ( 1.774 -1.258 -0.957) 2.376 4.636 ( -0.976 -0.532 1.452) 1.829 4.702 ( 0.608 2.167 0.313) 2.272 4.721 ( 2.471 2.940 2.731) 4.713 4.810 ( 4.450 -2.545 -7.666) 9.222 4.926 ( -3.509 1.104 0.645) 3.735 4.990 ( -1.467 -0.375 -0.131) 1.520 5.020 ( -2.127 -1.424 -1.958) 3.222 5.043 ( -1.559 -0.482 -0.092) 1.635 5.097 ( -1.096 -3.587 3.149) 4.897 5.205 ( 1.833 -1.081 -3.942) 4.480 5.281 ( -3.238 -1.604 -1.383) 3.869 5.324 ( -0.737 -2.825 3.550) 4.596 5.414 ( -1.258 2.403 -0.469) 2.753 5.467 ( 1.406 2.531 -0.021) 2.895 5.548 ( -2.162 -2.194 -0.043) 3.081 5.609 ( -1.768 0.688 -2.034) 2.781 5.971 ( 0.828 -0.051 6.649) 6.700 6.039 ( -2.112 -0.884 -4.239) 4.818 6.369 ( -2.042 -1.317 -1.444) 2.827 6.392 ( 1.308 -1.830 2.595) 3.434 7.020 ( -4.319 7.087 0.434) 8.311 7.104 ( -4.131 4.470 -4.228) 7.410 7.663 ( -0.756 -1.478 -4.178) 4.496 7.844 ( 1.328 -8.660 0.564) 8.779 7.937 ( -0.212 1.414 0.653) 1.572 8.000 ( 1.462 -0.403 1.633) 2.228 8.072 ( -0.691 1.001 0.085) 1.219 8.140 ( 4.398 0.744 -2.230) 4.987 8.175 ( 0.434 -0.366 6.181) 6.207 8.434 ( 4.401 -4.309 0.287) 6.167 ======================= Grid point 73 (31/72) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 7.531 11.271 -0.162) 13.556 0.720 ( 3.838 3.902 4.060) 6.815 0.816 ( 4.960 5.231 -4.690) 8.600 0.863 ( 5.008 -1.000 10.027) 11.252 0.964 ( 1.622 2.441 1.762) 3.420 1.086 ( 4.304 4.287 -5.823) 8.415 1.196 ( -1.262 -2.866 -3.292) 4.544 1.263 ( -2.462 1.225 4.354) 5.149 1.287 ( -2.810 -1.503 0.391) 3.210 1.401 ( -1.222 -4.864 -6.463) 8.180 1.532 ( 5.598 1.948 3.006) 6.646 1.568 ( 6.759 0.061 -4.348) 8.037 1.647 ( 2.308 3.285 1.205) 4.192 1.713 ( 6.276 0.087 2.995) 6.955 1.890 ( -2.072 -2.150 -0.235) 2.995 2.002 ( 0.081 -3.088 1.845) 3.598 2.122 ( -0.438 -0.796 -0.363) 0.979 2.210 ( -4.260 0.879 -1.564) 4.622 2.345 ( 2.500 0.228 1.353) 2.852 2.422 ( -2.571 -0.475 -1.151) 2.856 2.515 ( -1.589 3.724 0.122) 4.051 2.539 ( 1.810 3.332 0.524) 3.827 2.564 ( -1.330 -0.624 -2.032) 2.508 2.634 ( -2.346 2.221 2.646) 4.176 2.670 ( 0.413 0.796 -0.161) 0.911 2.706 ( -1.217 -1.242 -2.185) 2.793 2.745 ( -0.708 -1.938 -2.601) 3.320 2.792 ( -1.882 -0.101 -0.378) 1.922 2.866 ( 0.395 0.732 -0.736) 1.110 2.882 ( 2.450 -0.216 0.447) 2.500 2.925 ( 2.199 -0.530 1.170) 2.547 3.020 ( 3.469 -0.597 -0.557) 3.564 3.043 ( -0.292 -1.134 0.610) 1.320 3.105 ( 5.008 0.669 2.041) 5.449 3.176 ( 2.430 -3.073 0.380) 3.936 3.243 ( 4.260 -0.835 5.441) 6.961 3.382 ( -0.657 3.398 -0.527) 3.501 3.422 ( -2.245 0.388 -1.835) 2.926 3.475 ( 0.722 1.910 2.567) 3.281 3.559 ( 0.553 -0.521 -0.552) 0.939 3.603 ( 0.575 0.243 -1.426) 1.557 3.683 ( -1.708 1.686 -1.216) 2.691 3.733 ( -3.171 -0.481 0.756) 3.296 3.776 ( -2.886 -2.729 -2.240) 4.560 3.849 ( -1.860 4.343 1.642) 5.002 3.905 ( -0.027 0.375 0.591) 0.701 3.991 ( -0.709 2.670 2.594) 3.789 4.092 ( 1.387 4.603 2.526) 5.431 4.135 ( -0.641 1.525 -5.693) 5.929 4.202 ( 2.827 1.097 3.245) 4.441 4.329 ( -0.350 -1.421 -0.596) 1.580 4.409 ( 0.377 -1.371 2.056) 2.500 4.501 ( 1.162 -5.232 -0.112) 5.360 4.547 ( 2.126 -0.500 0.820) 2.333 4.602 ( -1.281 -0.124 -1.999) 2.378 4.698 ( -0.817 0.130 -0.429) 0.932 4.795 ( 2.900 -0.741 -2.244) 3.741 4.823 ( 2.475 -0.933 -0.375) 2.671 4.871 ( -2.708 1.217 -1.099) 3.166 4.935 ( -3.032 0.640 -1.849) 3.609 4.954 ( -1.308 -0.600 -2.890) 3.228 5.018 ( -1.169 -0.248 0.236) 1.218 5.077 ( -3.303 -4.037 1.858) 5.537 5.222 ( 2.884 -1.425 -1.946) 3.760 5.272 ( 0.818 -2.387 2.140) 3.309 5.315 ( -3.207 -1.786 2.502) 4.442 5.392 ( -0.222 2.499 0.442) 2.547 5.479 ( -2.306 7.050 0.274) 7.423 5.522 ( 0.146 -3.319 -0.053) 3.322 5.559 ( -0.994 -1.461 -2.329) 2.924 5.929 ( -4.644 -0.710 -4.442) 6.466 6.038 ( -1.546 0.178 5.344) 5.566 6.307 ( -1.351 0.011 -2.351) 2.712 6.437 ( 0.678 -2.250 1.360) 2.715 6.957 ( -4.581 4.291 1.766) 6.521 6.993 ( -4.985 4.287 -2.057) 6.889 7.640 ( 2.994 -1.442 -4.584) 5.662 7.831 ( -3.350 -5.529 3.750) 7.473 7.969 ( 3.037 -0.500 -1.551) 3.447 8.020 ( 0.040 0.631 0.038) 0.634 8.088 ( 1.284 0.984 1.487) 2.198 8.161 ( 2.364 2.171 -2.374) 3.993 8.279 ( 4.259 -1.881 3.092) 5.589 8.499 ( 2.262 -4.835 0.766) 5.392 ======================= Grid point 74 (32/72) ======================= q-point: ( 0.38 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 4.519 12.389 -2.520) 13.426 0.737 ( -0.103 3.939 0.860) 4.034 0.938 ( 5.150 0.550 3.458) 6.227 1.010 ( 6.052 4.554 3.646) 8.406 1.067 ( 2.895 5.828 -3.692) 7.482 1.100 ( -0.002 -1.787 0.124) 1.791 1.146 ( 3.723 0.670 3.707) 5.296 1.229 ( -3.084 -1.073 0.337) 3.283 1.245 ( -5.769 -0.937 2.620) 6.405 1.318 ( -1.241 -3.255 -2.494) 4.284 1.589 ( 1.802 -1.017 -3.220) 3.828 1.619 ( 5.084 -1.101 -8.839) 10.257 1.689 ( 1.675 2.301 1.137) 3.065 1.821 ( 5.007 -4.234 -1.166) 6.660 1.859 ( -0.092 -2.580 -0.502) 2.630 2.023 ( -2.070 3.906 -4.413) 6.247 2.118 ( -2.207 1.913 8.278) 8.778 2.210 ( 3.036 4.497 0.610) 5.461 2.357 ( 0.729 -1.711 -2.576) 3.177 2.387 ( -1.504 1.709 1.302) 2.623 2.487 ( -1.552 3.526 2.771) 4.746 2.533 ( -0.879 -1.148 -0.697) 1.605 2.579 ( 0.632 1.119 1.143) 1.720 2.621 ( -1.271 2.037 2.108) 3.195 2.631 ( -3.881 -0.680 1.389) 4.178 2.704 ( 2.713 0.085 -0.760) 2.819 2.720 ( 0.222 -1.466 -0.709) 1.644 2.766 ( -1.417 0.358 -0.208) 1.476 2.855 ( 0.411 3.508 -0.405) 3.555 2.920 ( 0.922 0.657 -0.314) 1.174 2.970 ( 1.440 0.251 -3.331) 3.637 3.049 ( 0.993 -4.498 2.359) 5.176 3.063 ( 2.111 -1.407 -1.622) 3.011 3.192 ( 2.107 -0.982 2.310) 3.277 3.214 ( 2.426 -3.452 -0.789) 4.292 3.350 ( 2.976 -2.163 2.338) 4.359 3.368 ( -0.772 0.583 -1.008) 1.397 3.413 ( 0.460 0.134 2.990) 3.028 3.495 ( -0.678 -0.134 0.043) 0.693 3.532 ( -5.060 -1.133 0.084) 5.186 3.598 ( -0.171 1.497 -0.649) 1.640 3.625 ( -0.583 0.689 0.963) 1.320 3.704 ( -0.590 -1.627 -2.853) 3.337 3.716 ( 0.245 -1.495 -0.886) 1.755 3.804 ( -2.163 3.517 -0.932) 4.233 3.900 ( -2.376 6.686 4.525) 8.415 4.048 ( 1.482 2.715 1.776) 3.567 4.062 ( -1.068 0.421 -4.170) 4.325 4.150 ( 2.301 2.113 -1.072) 3.302 4.274 ( 2.063 0.916 2.011) 3.023 4.309 ( -0.444 0.153 0.020) 0.470 4.433 ( -0.352 -1.750 0.201) 1.796 4.496 ( -0.323 -1.792 -0.061) 1.822 4.535 ( -1.936 -1.497 -1.600) 2.925 4.618 ( 2.660 -1.337 0.807) 3.084 4.683 ( -0.599 -1.884 0.501) 2.039 4.792 ( 2.311 -3.311 -4.962) 6.398 4.819 ( -1.023 1.684 -2.205) 2.958 4.850 ( 0.814 -0.995 -0.814) 1.522 4.888 ( -0.598 -0.400 -1.566) 1.724 4.961 ( 1.136 -0.564 1.489) 1.956 5.000 ( -0.966 -0.510 -0.879) 1.402 5.053 ( -1.928 -1.509 4.605) 5.215 5.222 ( -3.047 -2.033 2.072) 4.208 5.301 ( -0.400 -2.035 0.369) 2.107 5.310 ( 2.941 -1.642 -0.788) 3.460 5.399 ( 0.186 3.693 -0.394) 3.718 5.444 ( -1.613 4.941 2.211) 5.649 5.513 ( -0.633 -1.560 -1.872) 2.518 5.560 ( 1.397 -3.538 0.800) 3.887 5.817 ( -3.066 0.296 -2.541) 3.993 6.019 ( -4.875 1.012 2.621) 5.627 6.291 ( 0.562 0.151 -0.280) 0.646 6.442 ( -0.097 -1.872 -1.041) 2.144 6.903 ( -2.749 3.293 0.511) 4.320 6.913 ( -3.269 3.617 -0.010) 4.875 7.673 ( 4.359 -2.332 -2.386) 5.489 7.805 ( -3.016 -3.551 1.758) 4.979 8.000 ( 2.005 -1.089 -1.067) 2.519 8.017 ( -0.308 1.200 0.213) 1.258 8.119 ( 0.570 0.562 1.266) 1.498 8.180 ( 2.437 2.039 -2.533) 4.063 8.360 ( 2.037 -2.372 2.804) 4.200 8.520 ( 0.311 -4.197 -0.444) 4.231 ======================= Grid point 75 (33/72) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -0.281 3.891 -0.383) 3.920 0.772 ( 2.142 8.405 -1.715) 8.841 0.980 ( -0.489 -0.417 -3.980) 4.032 1.018 ( -3.539 1.837 -3.279) 5.162 1.051 ( -3.944 0.104 5.327) 6.629 1.123 ( -5.315 1.284 4.469) 7.062 1.158 ( 3.437 -1.386 2.515) 4.479 1.266 ( 2.289 2.892 0.936) 3.805 1.287 ( 2.444 5.326 4.220) 7.222 1.377 ( 7.825 -1.548 8.049) 11.332 1.518 ( -0.578 -0.170 -11.573) 11.589 1.577 ( -2.648 1.208 -3.104) 4.255 1.695 ( -1.452 -2.222 -5.929) 6.496 1.834 ( -2.887 3.222 -7.162) 8.367 1.881 ( 2.534 -1.974 1.168) 3.418 1.917 ( -1.207 0.681 -2.468) 2.830 2.199 ( 1.442 1.863 5.705) 6.173 2.225 ( -0.562 1.916 3.910) 4.390 2.361 ( -1.540 0.147 -1.312) 2.028 2.375 ( 2.493 0.972 -2.003) 3.342 2.484 ( -2.101 -2.427 2.287) 3.941 2.532 ( 0.652 2.370 1.389) 2.824 2.580 ( -0.846 -2.853 0.988) 3.136 2.617 ( -0.426 2.584 2.129) 3.375 2.655 ( 1.531 1.747 3.072) 3.852 2.718 ( -0.423 -0.984 -0.228) 1.095 2.740 ( 2.271 0.953 -1.194) 2.737 2.751 ( 0.175 0.515 -0.247) 0.598 2.873 ( 0.681 3.215 1.907) 3.799 2.922 ( -0.170 -0.160 -0.248) 0.340 2.938 ( -0.404 -1.274 -3.749) 3.980 3.057 ( 0.707 -0.830 -3.587) 3.750 3.087 ( -0.201 -3.440 2.900) 4.503 3.206 ( -1.241 0.249 0.177) 1.278 3.242 ( 0.465 -4.541 -0.747) 4.625 3.309 ( -2.651 -1.217 -3.656) 4.677 3.395 ( -1.680 0.001 0.784) 1.854 3.427 ( -0.736 0.245 2.244) 2.374 3.452 ( -0.862 -1.052 -0.383) 1.413 3.502 ( 1.687 -2.278 2.186) 3.579 3.623 ( 1.912 1.719 0.745) 2.677 3.653 ( 0.318 2.057 2.100) 2.957 3.677 ( 0.930 -0.606 -1.332) 1.734 3.741 ( -0.375 -1.362 1.335) 1.944 3.785 ( 0.461 2.001 0.527) 2.120 3.922 ( 1.208 5.497 2.941) 6.350 3.975 ( -2.575 0.185 -3.888) 4.666 4.064 ( -1.314 3.015 -3.838) 5.054 4.161 ( 1.506 1.209 0.473) 1.989 4.251 ( -2.058 2.515 -2.860) 4.329 4.362 ( 0.279 -0.920 3.957) 4.072 4.406 ( -0.181 -0.557 0.217) 0.625 4.490 ( 0.009 1.165 -1.927) 2.251 4.520 ( 0.530 -2.965 0.159) 3.016 4.660 ( 1.275 -1.351 0.839) 2.038 4.674 ( -2.057 -1.817 1.941) 3.361 4.768 ( -0.559 2.146 -3.477) 4.125 4.817 ( 2.932 -1.799 -2.716) 4.383 4.857 ( 0.344 -2.666 -1.135) 2.918 4.881 ( 1.688 -1.404 -1.202) 2.503 4.964 ( -0.947 0.847 0.515) 1.371 4.974 ( -0.329 0.154 -0.622) 0.721 5.122 ( 2.657 -3.867 5.942) 7.571 5.192 ( -2.691 -2.543 2.301) 4.359 5.283 ( -1.229 -2.889 -0.416) 3.167 5.344 ( 1.385 -1.852 -1.141) 2.579 5.403 ( 0.587 1.683 0.353) 1.817 5.447 ( -0.273 4.621 -0.288) 4.638 5.485 ( -0.228 -2.496 -0.220) 2.516 5.569 ( -0.575 -1.937 -0.543) 2.092 5.835 ( 4.503 0.463 3.202) 5.545 5.945 ( -4.192 2.216 -1.021) 4.850 6.309 ( 0.831 0.219 1.442) 1.679 6.418 ( -0.547 -1.369 -2.842) 3.202 6.877 ( -1.022 3.488 0.628) 3.689 6.892 ( 1.164 2.998 -0.059) 3.217 7.729 ( 3.151 -3.523 0.177) 4.730 7.756 ( -3.355 -2.411 -0.882) 4.225 8.008 ( -0.352 2.094 0.174) 2.131 8.022 ( 0.889 -1.586 -0.593) 1.912 8.125 ( -1.153 0.615 0.895) 1.584 8.189 ( 1.005 1.433 -2.122) 2.751 8.402 ( -0.247 -2.710 3.144) 4.158 8.509 ( -0.407 -3.419 -1.619) 3.805 ======================= Grid point 76 (34/72) ======================= q-point: (-0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -5.093 2.669 -3.762) 6.871 0.797 ( 3.040 5.024 -1.253) 6.005 0.867 ( -5.255 1.837 1.361) 5.730 0.942 ( -8.889 4.238 5.537) 11.298 1.061 ( -0.822 -2.065 5.571) 5.998 1.135 ( 2.119 1.008 3.466) 4.186 1.184 ( -4.520 -0.567 -3.397) 5.683 1.251 ( 1.685 -0.933 3.325) 3.843 1.384 ( -1.707 1.188 -10.104) 10.316 1.436 ( -0.540 0.740 -4.148) 4.248 1.471 ( -4.561 3.174 -2.605) 6.137 1.530 ( -3.148 6.437 8.290) 10.957 1.615 ( 2.236 1.095 -1.112) 2.727 1.668 ( 0.154 2.792 -6.973) 7.513 1.880 ( -1.880 -3.573 -0.764) 4.109 1.972 ( 5.506 -1.406 1.028) 5.775 2.236 ( -3.628 -1.305 -0.619) 3.904 2.253 ( -0.233 -2.837 4.037) 4.940 2.322 ( -0.921 1.861 -0.004) 2.076 2.399 ( 3.314 3.944 -2.251) 5.622 2.498 ( 0.359 -1.197 3.384) 3.607 2.543 ( -1.503 0.253 0.911) 1.776 2.579 ( 0.922 0.297 0.417) 1.055 2.650 ( 2.624 -1.247 0.792) 3.011 2.693 ( -0.226 2.914 -0.361) 2.945 2.733 ( 1.330 0.124 0.548) 1.444 2.742 ( 1.846 0.036 0.404) 1.891 2.783 ( 2.739 0.179 -0.511) 2.792 2.859 ( -2.945 -1.758 -2.998) 4.555 2.900 ( -1.183 -1.836 -1.073) 2.434 2.925 ( 0.059 1.651 2.059) 2.639 3.037 ( 0.795 0.077 -2.343) 2.476 3.094 ( -3.850 -1.961 4.138) 5.983 3.159 ( -1.624 1.124 -0.778) 2.123 3.222 ( -1.502 -4.076 -0.209) 4.349 3.260 ( -2.470 -2.682 1.512) 3.947 3.375 ( -0.755 0.697 -0.767) 1.282 3.418 ( -1.298 0.325 -0.192) 1.352 3.448 ( 0.286 2.015 1.325) 2.429 3.566 ( 1.592 -1.517 1.124) 2.469 3.655 ( 1.224 1.156 -0.423) 1.736 3.669 ( 1.362 2.142 -1.293) 2.849 3.701 ( 0.754 -1.590 1.979) 2.649 3.748 ( 1.880 0.265 -0.186) 1.908 3.804 ( -0.080 0.462 2.530) 2.573 3.890 ( -1.490 -0.196 -4.664) 4.900 3.987 ( -0.668 4.722 0.562) 4.802 4.007 ( 1.477 3.719 0.759) 4.073 4.180 ( -3.108 2.082 -2.521) 4.511 4.202 ( 1.740 1.987 1.410) 2.994 4.343 ( -2.965 -0.441 1.196) 3.227 4.446 ( -0.318 -1.300 2.399) 2.747 4.481 ( 2.299 0.048 -2.559) 3.441 4.522 ( -0.182 -2.022 -0.751) 2.164 4.635 ( -3.351 -0.650 0.963) 3.547 4.686 ( -0.008 0.328 1.005) 1.058 4.720 ( -1.007 1.499 -3.542) 3.975 4.844 ( 1.923 -0.393 -1.271) 2.339 4.852 ( 1.314 -3.005 -0.781) 3.372 4.890 ( 1.447 -1.328 -3.920) 4.385 4.978 ( 2.103 0.360 0.812) 2.283 4.990 ( 1.779 0.354 0.840) 1.999 5.170 ( -2.523 -2.737 2.686) 4.590 5.208 ( 2.232 -4.841 2.086) 5.724 5.258 ( -0.923 -4.003 -0.513) 4.140 5.337 ( -1.636 -1.667 0.808) 2.472 5.428 ( 0.994 0.587 2.224) 2.505 5.432 ( 1.761 1.347 -3.340) 4.009 5.516 ( 1.256 -0.150 2.507) 2.808 5.556 ( 0.652 -0.311 -1.512) 1.676 5.868 ( -1.728 3.042 -4.044) 5.348 5.971 ( 5.897 -0.314 4.158) 7.222 6.346 ( 1.252 -0.061 2.377) 2.687 6.372 ( -1.102 -0.999 -3.593) 3.889 6.888 ( 1.965 4.538 0.262) 4.952 6.946 ( 5.005 3.077 0.251) 5.880 7.675 ( -3.846 -1.554 -3.137) 5.201 7.775 ( 0.720 -4.600 2.363) 5.221 8.003 ( 0.162 1.900 -0.622) 2.006 8.026 ( -0.020 -0.726 -0.213) 0.757 8.098 ( -2.842 1.168 0.777) 3.170 8.173 ( -0.790 0.728 -1.536) 1.875 8.415 ( -2.021 -3.790 4.155) 5.976 8.479 ( -0.931 -2.906 -2.204) 3.764 ======================= Grid point 77 (35/72) ======================= q-point: (-0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -7.578 9.271 -0.284) 11.977 0.685 ( -13.380 7.091 2.443) 15.338 0.906 ( 3.212 0.157 4.361) 5.418 0.939 ( -0.869 4.060 2.142) 4.672 1.051 ( -4.225 -1.701 -1.425) 4.772 1.089 ( -8.470 2.316 -1.399) 8.892 1.151 ( -6.245 1.760 6.082) 8.893 1.230 ( 3.136 -1.587 3.931) 5.274 1.261 ( -4.122 1.727 -9.339) 10.353 1.285 ( -4.923 1.332 -6.735) 8.448 1.390 ( 0.170 -3.040 -0.110) 3.046 1.482 ( -5.223 3.237 1.708) 6.378 1.731 ( 2.821 0.271 -1.405) 3.163 1.745 ( 7.626 0.941 2.298) 8.020 1.867 ( 2.286 -6.682 2.063) 7.357 2.075 ( 5.396 0.752 0.363) 5.460 2.140 ( -2.860 0.913 -2.972) 4.224 2.259 ( -1.898 -2.803 -0.687) 3.454 2.335 ( 1.323 0.331 3.074) 3.363 2.437 ( 2.328 4.032 -1.649) 4.939 2.496 ( -2.817 1.228 -0.383) 3.097 2.545 ( -0.098 -0.619 3.923) 3.973 2.596 ( 0.658 2.360 -1.136) 2.700 2.664 ( -1.263 3.618 -1.434) 4.092 2.698 ( -2.922 -1.858 0.732) 3.539 2.715 ( 1.892 -4.104 -0.245) 4.525 2.758 ( -1.100 -0.737 -4.349) 4.546 2.800 ( 0.805 -0.020 -2.817) 2.930 2.834 ( 2.202 1.092 0.105) 2.460 2.892 ( 0.883 0.061 1.671) 1.891 2.935 ( -0.392 -0.435 0.883) 1.060 3.034 ( -1.392 0.636 -2.068) 2.572 3.041 ( -2.284 -1.651 2.034) 3.476 3.151 ( -1.837 -1.713 1.621) 2.989 3.224 ( -0.706 -4.142 1.576) 4.487 3.251 ( 0.108 0.102 6.095) 6.097 3.346 ( -0.887 0.133 -1.603) 1.837 3.409 ( -0.616 1.152 1.406) 1.919 3.455 ( -0.987 1.933 0.451) 2.217 3.567 ( -0.599 -1.094 -0.206) 1.264 3.643 ( -1.471 2.468 -4.280) 5.155 3.674 ( 1.650 1.107 -1.373) 2.415 3.704 ( -0.963 -0.782 -1.694) 2.100 3.790 ( 2.756 -1.475 -0.668) 3.196 3.843 ( 0.901 1.911 2.255) 3.090 3.856 ( 0.488 1.402 2.203) 2.656 4.011 ( 2.237 2.242 4.000) 5.102 4.056 ( 1.012 4.834 2.088) 5.362 4.100 ( -3.920 2.024 -1.367) 4.619 4.240 ( 0.752 1.483 1.832) 2.474 4.303 ( -2.040 -0.648 -0.573) 2.216 4.445 ( 1.008 0.387 -2.174) 2.427 4.495 ( -0.121 -3.110 0.425) 3.142 4.500 ( -1.813 -2.122 -0.119) 2.794 4.588 ( -2.632 0.777 0.246) 2.755 4.668 ( -1.292 0.453 -3.292) 3.565 4.686 ( -0.057 0.975 -0.481) 1.089 4.861 ( 1.335 -2.103 -1.045) 2.702 4.868 ( 2.323 -0.677 -2.319) 3.351 4.905 ( 3.447 -0.578 -1.255) 3.713 5.009 ( 0.697 -2.671 -0.941) 2.916 5.034 ( 2.591 1.034 0.234) 2.800 5.145 ( -3.247 -0.839 2.152) 3.985 5.228 ( 0.440 -4.138 -1.983) 4.610 5.275 ( 2.403 -3.160 1.790) 4.355 5.321 ( -1.627 -0.693 1.976) 2.652 5.422 ( 0.588 0.629 -1.563) 1.784 5.486 ( 1.647 0.112 1.456) 2.202 5.548 ( 2.897 2.022 -1.011) 3.674 5.568 ( 0.668 -1.452 0.209) 1.612 5.818 ( 0.409 3.595 -3.362) 4.939 6.087 ( 3.589 -0.989 3.291) 4.969 6.305 ( -2.403 -0.658 -3.461) 4.265 6.400 ( 1.916 -0.980 2.291) 3.143 6.954 ( 5.984 7.802 0.168) 9.834 7.054 ( 7.266 3.278 -0.533) 7.989 7.571 ( -4.315 -0.491 -4.350) 6.147 7.791 ( -1.900 -4.927 2.985) 6.066 8.000 ( -0.320 0.650 -0.750) 1.042 8.012 ( -1.683 0.753 0.005) 1.844 8.065 ( -0.749 2.161 0.805) 2.425 8.140 ( -1.619 0.054 -0.885) 1.846 8.407 ( -3.436 -6.076 2.993) 7.595 8.441 ( -2.118 -3.717 -0.010) 4.278 ======================= Grid point 78 (36/72) ======================= q-point: (-0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -6.326 13.652 6.261) 16.298 0.508 ( -11.255 11.050 7.874) 17.629 0.716 ( -14.163 15.100 3.171) 20.944 0.940 ( -0.910 -2.059 -6.723) 7.090 1.026 ( 1.499 -2.286 -0.251) 2.745 1.067 ( -5.280 -0.682 -5.769) 7.850 1.090 ( -0.002 0.251 3.468) 3.477 1.165 ( 1.339 -0.146 0.031) 1.348 1.238 ( 0.045 1.115 5.619) 5.729 1.311 ( 1.487 -3.138 1.185) 3.669 1.376 ( -3.763 -1.303 2.492) 4.697 1.421 ( -3.156 -0.107 1.653) 3.565 1.710 ( 1.194 -6.078 -3.913) 7.327 1.870 ( 6.430 1.780 -3.973) 7.765 1.955 ( 2.543 -7.103 1.742) 7.743 2.088 ( -1.413 3.760 -1.380) 4.248 2.131 ( 1.446 0.426 -6.155) 6.337 2.212 ( -0.594 -2.006 2.335) 3.135 2.411 ( 4.219 -1.619 1.944) 4.919 2.434 ( -1.290 0.497 0.062) 1.384 2.458 ( -0.849 3.994 -1.407) 4.319 2.548 ( -1.267 3.751 0.948) 4.071 2.612 ( 2.471 2.490 0.802) 3.598 2.620 ( -4.606 -1.506 0.438) 4.866 2.658 ( 1.009 1.664 0.147) 1.951 2.687 ( -1.626 0.459 -2.296) 2.851 2.750 ( 0.515 -3.553 -0.492) 3.623 2.808 ( 0.446 2.662 0.507) 2.746 2.864 ( 1.940 0.252 0.304) 1.980 2.899 ( 0.361 0.686 -1.976) 2.122 2.931 ( -0.914 -0.642 -1.486) 1.859 2.979 ( -3.725 -1.015 0.793) 3.941 3.041 ( 0.011 -1.741 0.159) 1.748 3.095 ( -6.666 -2.598 -3.430) 7.934 3.167 ( -2.141 0.712 -1.187) 2.550 3.344 ( 0.481 -2.242 0.874) 2.454 3.354 ( 1.619 1.036 0.891) 2.118 3.404 ( -1.245 -0.122 0.143) 1.259 3.444 ( -0.433 -1.196 6.897) 7.014 3.557 ( -1.721 3.588 -4.259) 5.829 3.572 ( -1.262 0.397 1.730) 2.178 3.686 ( 2.356 -0.676 0.691) 2.547 3.697 ( 1.381 1.143 -1.130) 2.119 3.815 ( 0.772 -1.447 0.070) 1.642 3.856 ( -0.508 2.575 1.326) 2.940 3.925 ( 1.313 1.810 6.155) 6.548 3.975 ( -5.818 0.693 -2.344) 6.311 4.079 ( 0.762 1.623 -0.987) 2.047 4.134 ( 2.899 2.091 0.644) 3.632 4.234 ( -1.447 -0.292 -0.418) 1.534 4.286 ( -0.008 -1.457 1.778) 2.299 4.431 ( -0.320 -0.634 -0.778) 1.053 4.467 ( -1.254 -1.115 0.825) 1.870 4.524 ( 2.111 0.815 2.124) 3.104 4.555 ( -1.541 0.678 0.334) 1.716 4.616 ( -1.221 -0.249 -2.280) 2.598 4.703 ( 2.881 1.688 -0.005) 3.339 4.875 ( 1.385 -0.498 -0.805) 1.677 4.901 ( 1.588 -3.676 -1.700) 4.350 4.929 ( 1.174 -1.453 -0.025) 1.868 5.002 ( 0.201 -1.277 -0.106) 1.297 5.070 ( 2.111 0.461 -1.195) 2.470 5.109 ( -2.530 0.083 1.177) 2.791 5.222 ( 1.517 -2.590 -1.944) 3.576 5.311 ( -0.216 -1.007 1.088) 1.498 5.318 ( -0.913 -0.101 0.307) 0.969 5.424 ( 0.038 0.774 0.218) 0.805 5.503 ( -0.015 -1.472 0.807) 1.679 5.561 ( 1.143 -1.636 -2.426) 3.141 5.623 ( 5.708 4.964 -1.779) 7.771 5.827 ( 0.851 2.161 2.503) 3.415 6.143 ( 0.279 -1.741 0.138) 1.769 6.247 ( -1.108 0.511 0.472) 1.309 6.441 ( 0.896 -2.003 0.685) 2.299 7.104 ( 12.935 13.059 -5.847) 19.288 7.152 ( 5.703 3.606 -2.174) 7.089 7.473 ( -2.926 1.043 1.666) 3.525 7.770 ( -2.932 -4.057 1.872) 5.345 7.962 ( -2.755 1.686 1.027) 3.390 7.999 ( -0.553 -0.007 0.348) 0.654 8.085 ( 1.690 1.908 -0.176) 2.555 8.108 ( -1.068 -0.394 -0.718) 1.346 8.352 ( -7.228 -9.784 3.407) 12.633 8.391 ( -4.170 -5.753 0.236) 7.109 ======================= Grid point 79 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -9.267 5.372 11.923) 16.028 0.695 ( -0.266 13.412 2.814) 13.706 0.831 ( 0.971 2.637 -7.332) 7.852 0.962 ( -0.345 1.178 -1.049) 1.615 0.999 ( 2.045 -3.991 -1.875) 4.860 1.015 ( -1.856 -0.400 -0.005) 1.898 1.187 ( 4.556 2.483 -2.427) 5.728 1.228 ( 0.927 3.425 3.121) 4.725 1.267 ( -1.007 5.766 3.940) 7.056 1.325 ( 1.464 -1.194 5.919) 6.213 1.343 ( -0.793 0.947 1.789) 2.174 1.411 ( 0.476 1.197 2.670) 2.965 1.620 ( 2.558 -5.057 1.001) 5.756 1.831 ( -1.944 -3.669 -1.189) 4.319 1.871 ( -1.946 0.767 -6.671) 6.991 1.986 ( -0.051 -4.248 -1.668) 4.564 2.165 ( 0.557 4.754 -5.317) 7.154 2.249 ( 0.554 -2.418 -5.043) 5.620 2.354 ( -0.710 -0.382 1.199) 1.445 2.407 ( 1.124 -3.072 4.953) 5.936 2.474 ( -0.423 -1.021 -2.914) 3.116 2.565 ( -0.592 0.129 -0.831) 1.028 2.624 ( -2.241 -2.311 1.447) 3.530 2.642 ( -0.805 2.925 1.126) 3.236 2.686 ( -0.085 1.219 0.320) 1.263 2.745 ( -0.150 3.698 0.281) 3.711 2.764 ( 1.270 3.645 -0.706) 3.924 2.809 ( -1.293 -0.232 -1.868) 2.284 2.898 ( 0.159 -0.022 1.173) 1.184 2.918 ( 0.602 1.574 0.508) 1.760 2.938 ( -0.776 -0.982 0.572) 1.376 2.972 ( 1.066 3.124 0.081) 3.302 2.993 ( -0.681 1.009 -0.730) 1.419 3.038 ( 2.224 -0.384 -2.659) 3.487 3.121 ( -0.064 -1.101 -0.102) 1.107 3.207 ( -3.476 -0.077 -4.904) 6.011 3.460 ( 0.055 1.452 4.552) 4.778 3.465 ( 0.446 3.676 1.920) 4.171 3.498 ( 0.136 1.025 4.282) 4.405 3.597 ( -1.568 2.405 -1.436) 3.210 3.613 ( 3.347 3.557 -0.637) 4.926 3.682 ( -0.715 0.434 -3.642) 3.737 3.738 ( 3.226 -1.187 1.361) 3.697 3.798 ( 1.177 -2.620 -0.415) 2.902 3.900 ( -2.015 2.174 -0.594) 3.023 3.919 ( -2.676 2.207 1.651) 3.842 4.053 ( 1.897 2.316 5.088) 5.904 4.066 ( -1.138 0.115 1.642) 2.001 4.176 ( -1.384 1.423 -0.674) 2.097 4.225 ( 1.306 -1.374 -0.010) 1.896 4.240 ( -1.016 -1.659 2.290) 3.005 4.377 ( -0.185 -2.018 -3.432) 3.986 4.465 ( 0.129 0.580 -0.565) 0.820 4.508 ( -1.256 -1.261 -0.893) 1.991 4.603 ( -0.039 0.670 1.070) 1.263 4.655 ( 3.847 2.267 3.841) 5.890 4.745 ( 1.102 -0.675 -2.235) 2.582 4.825 ( -0.983 0.069 -4.242) 4.355 4.878 ( 1.075 -4.583 3.148) 5.663 4.935 ( 1.910 -2.123 2.343) 3.694 5.006 ( 0.165 0.330 -0.205) 0.422 5.067 ( -1.290 0.221 2.046) 2.429 5.089 ( -0.250 0.357 -1.758) 1.811 5.183 ( 0.512 -3.864 2.529) 4.647 5.249 ( -1.620 -2.143 -2.959) 3.996 5.288 ( 0.158 -3.638 -0.193) 3.646 5.421 ( -0.589 -0.510 -0.959) 1.235 5.458 ( -0.610 -2.688 -1.277) 3.038 5.588 ( 0.939 3.822 1.560) 4.234 5.700 ( -0.821 1.867 -1.917) 2.799 5.897 ( 0.756 0.836 4.156) 4.306 6.064 ( -1.375 -2.963 -2.532) 4.133 6.291 ( 1.304 0.338 3.223) 3.494 6.389 ( -0.621 -2.388 -0.784) 2.589 7.250 ( -0.547 5.492 -4.227) 6.952 7.301 ( -0.750 5.018 -7.762) 9.273 7.606 ( 5.546 -1.912 3.765) 6.971 7.675 ( 0.228 -3.233 -0.635) 3.303 7.979 ( -0.754 0.911 0.847) 1.455 7.992 ( -1.545 1.700 0.449) 2.341 8.069 ( -2.174 -0.561 2.153) 3.110 8.111 ( -0.552 -0.198 0.856) 1.037 8.139 ( -1.171 -0.579 3.485) 3.722 8.299 ( 1.913 -4.042 -2.217) 4.991 ======================= Grid point 80 (38/72) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 3.210 5.287 9.490) 11.328 0.749 ( 1.985 8.982 5.035) 10.487 0.849 ( 7.394 9.535 -3.238) 12.493 0.968 ( -1.732 0.338 0.052) 1.766 0.994 ( 5.826 0.258 -4.066) 7.109 1.006 ( -0.224 -0.707 -0.535) 0.914 1.179 ( -1.738 -1.426 -2.387) 3.279 1.243 ( 1.324 -0.480 -0.793) 1.616 1.322 ( 0.123 1.863 3.771) 4.208 1.380 ( 2.349 -1.361 -1.786) 3.249 1.438 ( 4.176 -0.491 3.902) 5.736 1.500 ( 3.587 -1.315 6.235) 7.312 1.666 ( 3.877 2.991 1.167) 5.034 1.712 ( -0.282 3.345 -9.705) 10.269 1.857 ( -1.359 0.028 5.419) 5.587 1.960 ( -1.188 -2.744 -3.405) 4.531 2.136 ( -0.707 1.222 -3.489) 3.764 2.205 ( 2.605 -2.531 -3.011) 4.718 2.334 ( -3.255 -0.746 0.904) 3.460 2.444 ( -1.048 -1.013 1.898) 2.393 2.514 ( 5.587 -3.257 -0.034) 6.467 2.531 ( -0.050 1.847 -1.718) 2.523 2.622 ( 0.060 1.357 1.668) 2.151 2.640 ( -1.957 -1.133 2.576) 3.428 2.690 ( -1.131 2.384 1.207) 2.901 2.722 ( -0.635 1.478 -0.808) 1.800 2.764 ( -0.474 -0.452 -2.999) 3.070 2.774 ( -0.008 1.072 -0.935) 1.423 2.868 ( -3.945 -0.733 -1.139) 4.172 2.914 ( -0.979 -0.479 1.813) 2.115 2.956 ( 0.950 0.269 1.590) 1.872 2.968 ( -1.218 2.068 0.594) 2.473 3.038 ( 4.129 0.931 -0.345) 4.246 3.054 ( 2.513 1.024 -3.634) 4.535 3.113 ( -0.100 -0.257 -0.443) 0.522 3.178 ( 3.004 2.232 0.613) 3.792 3.469 ( -1.299 3.271 1.133) 3.697 3.485 ( -1.019 2.136 1.622) 2.869 3.527 ( -0.897 2.221 1.744) 2.963 3.553 ( -1.268 1.074 -0.540) 1.747 3.636 ( -0.363 0.961 -3.467) 3.616 3.686 ( 4.418 1.258 -0.630) 4.637 3.766 ( -0.883 -3.380 -1.030) 3.642 3.774 ( -2.575 -0.804 -0.857) 2.831 3.889 ( -1.355 1.858 1.717) 2.870 3.907 ( 0.127 0.554 2.449) 2.514 4.070 ( -1.715 2.885 2.633) 4.266 4.124 ( 1.481 0.473 1.827) 2.399 4.160 ( 0.077 2.185 1.318) 2.553 4.216 ( 0.797 -1.252 -1.181) 1.897 4.268 ( 0.620 0.533 2.057) 2.214 4.354 ( 1.717 -2.568 -3.839) 4.927 4.447 ( -1.465 -0.321 0.086) 1.502 4.504 ( 1.156 -0.438 -0.418) 1.305 4.623 ( -0.287 -0.496 2.218) 2.291 4.723 ( 0.654 -0.579 -0.777) 1.169 4.750 ( 0.851 -1.383 -2.079) 2.638 4.772 ( 0.919 1.602 -0.845) 2.031 4.920 ( 0.908 -2.888 1.450) 3.357 4.955 ( -0.296 -4.529 -1.974) 4.950 4.989 ( -2.491 2.135 0.858) 3.391 5.047 ( -2.261 1.434 -3.461) 4.376 5.083 ( -0.920 0.899 5.334) 5.486 5.177 ( 0.143 -1.946 -2.162) 2.912 5.242 ( -2.551 -2.457 -2.204) 4.171 5.244 ( -0.499 -4.754 3.027) 5.658 5.417 ( -1.774 -2.943 -1.621) 3.800 5.436 ( 0.860 -2.176 1.115) 2.592 5.593 ( -1.776 4.601 0.936) 5.020 5.651 ( -2.021 2.834 -1.350) 3.733 5.961 ( 0.778 -0.844 4.783) 4.919 6.008 ( -1.694 -2.159 -3.138) 4.168 6.341 ( 0.230 -1.058 1.361) 1.739 6.361 ( -0.417 -1.290 -0.504) 1.446 7.161 ( -5.334 6.274 -1.919) 8.455 7.202 ( -4.815 4.683 -3.210) 7.444 7.626 ( -0.898 -1.952 -1.805) 2.806 7.699 ( 0.286 -5.495 1.170) 5.625 7.973 ( 0.428 2.071 1.037) 2.355 8.020 ( 2.108 2.109 0.439) 3.014 8.087 ( 0.716 0.059 1.325) 1.507 8.134 ( 3.457 -0.690 -0.733) 3.601 8.166 ( 0.812 -0.459 3.270) 3.401 8.334 ( 3.827 -5.212 -1.453) 6.627 ======================= Grid point 81 (39/72) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 6.346 3.488 6.333) 9.620 0.861 ( 4.826 2.735 6.257) 8.362 0.935 ( 2.547 6.235 -0.370) 6.746 0.945 ( 0.080 6.844 -1.462) 6.999 1.055 ( 7.896 6.613 2.437) 10.583 1.091 ( 7.230 -0.124 -2.460) 7.639 1.141 ( 0.742 -2.531 -3.262) 4.195 1.237 ( -1.832 -2.890 0.855) 3.527 1.287 ( -4.849 -3.909 -3.726) 7.258 1.352 ( 0.951 4.497 -4.096) 6.157 1.549 ( 5.406 -1.456 0.580) 5.629 1.588 ( 4.159 2.602 -0.832) 4.976 1.649 ( 0.215 -2.186 -1.720) 2.790 1.758 ( 0.757 3.381 0.598) 3.516 1.871 ( -1.357 0.208 -3.902) 4.137 1.974 ( 5.274 -0.103 6.796) 8.602 2.140 ( 3.398 3.466 1.596) 5.110 2.226 ( -0.401 0.210 -0.414) 0.613 2.306 ( 0.303 -3.306 -0.624) 3.378 2.424 ( -1.971 0.561 1.377) 2.469 2.537 ( -3.196 -0.422 -0.456) 3.255 2.545 ( 1.937 -0.370 -1.178) 2.297 2.622 ( 0.462 -0.554 0.335) 0.795 2.662 ( 0.440 0.775 -0.678) 1.119 2.689 ( -0.705 1.932 1.931) 2.821 2.712 ( -0.409 -0.121 -1.554) 1.612 2.732 ( -0.577 2.501 -0.332) 2.588 2.775 ( 0.666 -1.190 2.141) 2.539 2.813 ( -0.761 -1.446 0.901) 1.865 2.899 ( -0.501 -0.021 -0.877) 1.010 2.945 ( -0.748 2.227 -0.772) 2.473 2.998 ( 0.918 -1.497 2.824) 3.326 3.049 ( 0.222 0.578 -2.197) 2.282 3.112 ( 3.894 0.267 0.115) 3.905 3.125 ( 1.590 -1.566 -0.378) 2.264 3.254 ( 2.858 1.647 3.272) 4.647 3.433 ( -2.202 1.387 -2.617) 3.690 3.461 ( -1.073 3.417 1.145) 3.760 3.511 ( -1.857 1.356 -0.197) 2.308 3.561 ( -0.351 0.501 1.992) 2.084 3.612 ( 0.160 0.921 -1.115) 1.455 3.671 ( -4.038 -3.650 -2.795) 6.119 3.712 ( -0.723 -1.067 -2.349) 2.680 3.735 ( -2.768 -0.647 -0.986) 3.008 3.910 ( -1.932 1.440 1.148) 2.669 3.928 ( 2.363 0.894 3.279) 4.140 4.065 ( -0.413 4.393 2.245) 4.951 4.148 ( -0.126 0.551 -4.013) 4.053 4.174 ( 2.286 2.469 2.465) 4.171 4.240 ( 1.804 2.452 0.213) 3.051 4.314 ( 0.900 -0.981 4.342) 4.541 4.355 ( 1.359 -2.858 -2.568) 4.076 4.435 ( 0.194 -1.069 -0.043) 1.087 4.533 ( 2.099 -1.031 0.897) 2.505 4.608 ( -2.093 0.657 -1.110) 2.459 4.693 ( -1.706 -0.229 -2.212) 2.803 4.722 ( 0.967 -3.538 -3.251) 4.901 4.830 ( 1.699 0.301 1.964) 2.615 4.900 ( -1.610 -1.132 -3.574) 4.080 4.926 ( -0.785 -1.507 -3.108) 3.542 4.952 ( -3.074 -0.225 1.128) 3.283 4.976 ( -0.534 1.374 -1.616) 2.187 5.080 ( -4.098 1.129 2.691) 5.031 5.180 ( -0.256 -2.778 1.188) 3.032 5.217 ( 1.234 -2.485 -0.039) 2.774 5.251 ( -1.203 -4.238 2.084) 4.874 5.410 ( 0.573 -1.952 2.732) 3.406 5.448 ( -0.001 -2.881 0.145) 2.884 5.556 ( -1.893 2.700 -2.307) 4.025 5.606 ( -2.829 4.085 0.327) 4.980 5.918 ( -3.847 -0.293 -2.951) 4.858 6.019 ( -0.708 -2.051 3.778) 4.356 6.309 ( -0.822 0.256 -1.926) 2.110 6.387 ( 0.691 -2.478 1.063) 2.783 7.059 ( -5.679 5.214 0.409) 7.721 7.087 ( -6.043 4.539 -0.995) 7.623 7.605 ( 1.298 -1.684 -2.690) 3.429 7.707 ( -0.416 -5.768 1.388) 5.947 7.996 ( 0.838 2.542 1.012) 2.861 8.051 ( 1.457 2.451 -0.329) 2.870 8.110 ( 0.897 1.018 1.152) 1.780 8.177 ( 3.089 -0.438 -2.263) 3.854 8.233 ( 2.881 -2.371 3.114) 4.860 8.386 ( 3.230 -5.956 -0.933) 6.839 ======================= Grid point 82 (40/72) ======================= q-point: ( 0.38 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 1.119 4.332 1.882) 4.854 0.949 ( 0.756 1.925 -2.190) 3.012 0.981 ( 3.754 9.716 2.205) 10.647 1.014 ( 4.069 -2.213 4.192) 6.247 1.111 ( 0.690 -0.397 -0.603) 0.999 1.147 ( -2.819 -1.004 -4.410) 5.329 1.184 ( 3.151 -0.217 1.300) 3.416 1.230 ( 6.312 6.592 0.310) 9.132 1.272 ( 3.096 4.287 1.411) 5.473 1.308 ( -1.523 3.787 -1.022) 4.208 1.571 ( -0.467 0.092 -1.161) 1.255 1.619 ( 3.244 0.689 -5.491) 6.415 1.729 ( -2.349 0.299 -0.208) 2.377 1.737 ( 6.997 -2.824 1.343) 7.664 1.830 ( 0.204 0.792 -1.088) 1.361 2.097 ( 0.381 3.210 -3.092) 4.474 2.147 ( -0.816 -0.923 5.254) 5.396 2.284 ( 3.564 2.382 1.193) 4.450 2.307 ( 1.204 -2.999 -0.654) 3.297 2.391 ( -2.374 0.152 -1.747) 2.951 2.485 ( -2.530 -0.283 1.857) 3.151 2.562 ( -0.958 0.563 0.956) 1.466 2.621 ( 1.110 0.076 -2.334) 2.585 2.640 ( -2.179 1.232 -0.366) 2.530 2.659 ( -1.883 1.564 1.226) 2.738 2.711 ( 1.600 2.716 0.079) 3.153 2.742 ( 0.038 2.157 2.221) 3.096 2.782 ( 0.156 1.886 0.060) 1.893 2.880 ( 2.000 -0.895 -1.927) 2.917 2.900 ( 1.740 -4.893 1.900) 5.529 2.939 ( 1.171 1.118 -0.563) 1.714 3.009 ( -1.551 -0.373 1.001) 1.883 3.037 ( 0.705 -1.186 -1.549) 2.074 3.150 ( 1.659 -3.252 0.398) 3.672 3.158 ( 1.604 -1.472 -0.831) 2.330 3.320 ( 2.043 0.209 2.836) 3.502 3.387 ( -1.230 0.380 -3.025) 3.287 3.444 ( -2.582 0.839 -1.632) 3.167 3.459 ( -4.027 -0.888 2.308) 4.726 3.535 ( -1.767 1.364 -0.121) 2.236 3.623 ( 0.856 0.631 1.654) 1.966 3.638 ( 0.874 0.630 0.608) 1.238 3.674 ( -0.901 -2.301 0.420) 2.506 3.685 ( -1.531 -0.940 -1.266) 2.197 3.874 ( -1.808 2.842 -0.935) 3.496 3.976 ( -0.321 0.002 1.529) 1.563 4.079 ( -0.276 2.766 -3.520) 4.485 4.118 ( 1.106 3.643 0.896) 3.911 4.221 ( 0.718 3.426 0.010) 3.500 4.286 ( 2.254 0.971 2.999) 3.875 4.327 ( -0.318 0.446 -2.067) 2.138 4.370 ( -0.126 -3.547 2.613) 4.407 4.446 ( 1.081 -1.835 -0.327) 2.155 4.554 ( -1.439 2.516 -2.046) 3.548 4.589 ( 2.207 -1.687 2.154) 3.515 4.656 ( -1.184 -0.467 0.225) 1.293 4.714 ( 1.157 -3.450 -1.894) 4.102 4.819 ( -0.094 -0.848 -2.578) 2.716 4.865 ( -0.223 0.869 -2.933) 3.067 4.885 ( -0.966 0.116 -2.250) 2.451 4.943 ( 2.056 -0.972 0.585) 2.348 4.982 ( -0.427 -0.129 1.191) 1.272 5.040 ( -3.270 -0.632 3.174) 4.601 5.160 ( -3.228 -3.674 1.611) 5.149 5.239 ( -0.596 -3.730 0.099) 3.779 5.257 ( 1.820 -3.881 -0.607) 4.329 5.442 ( -0.915 -1.897 -0.487) 2.162 5.453 ( -0.371 -2.164 1.123) 2.467 5.504 ( -0.119 2.543 -0.363) 2.572 5.570 ( -1.172 3.073 -0.207) 3.296 5.837 ( -2.670 1.721 -0.534) 3.221 6.012 ( -2.964 -1.889 1.471) 3.810 6.298 ( 0.519 0.606 -0.133) 0.809 6.397 ( 0.210 -2.433 -0.366) 2.470 6.984 ( -3.252 4.315 0.242) 5.409 6.997 ( -4.011 4.259 0.298) 5.858 7.618 ( 2.247 -2.610 -1.284) 3.675 7.707 ( -0.760 -5.351 0.391) 5.418 8.015 ( 0.413 2.391 0.812) 2.559 8.065 ( 0.839 3.231 -0.685) 3.408 8.132 ( 0.290 0.677 1.150) 1.366 8.201 ( 2.381 0.123 -2.581) 3.514 8.299 ( 1.547 -3.407 2.713) 4.622 8.418 ( 1.565 -5.689 -1.045) 5.992 ======================= Grid point 83 (41/72) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -0.117 6.841 0.976) 6.911 0.893 ( -1.927 2.619 -4.368) 5.446 1.023 ( -3.759 2.436 -0.716) 4.536 1.050 ( 0.504 4.335 1.057) 4.490 1.101 ( -1.364 2.893 0.146) 3.202 1.131 ( 2.809 -0.012 1.407) 3.142 1.209 ( -2.188 6.507 -0.582) 6.889 1.284 ( -3.046 1.480 1.133) 3.571 1.322 ( 5.101 -3.076 8.904) 10.713 1.409 ( 7.978 1.988 -2.037) 8.470 1.533 ( -0.214 2.855 -5.436) 6.144 1.609 ( -2.639 2.867 0.921) 4.004 1.668 ( -1.430 -1.325 -3.234) 3.776 1.850 ( 0.641 -0.848 0.938) 1.418 1.860 ( 4.169 0.621 2.295) 4.800 1.979 ( -4.433 4.453 -6.222) 8.843 2.213 ( -0.775 -2.072 4.800) 5.285 2.271 ( -2.799 2.835 -2.152) 4.528 2.323 ( 1.287 -5.089 -1.534) 5.469 2.369 ( 1.599 0.468 -1.413) 2.184 2.471 ( -1.307 1.361 1.654) 2.509 2.549 ( -0.035 -0.050 2.226) 2.227 2.597 ( 0.053 2.680 -1.639) 3.142 2.638 ( -0.782 1.979 0.374) 2.160 2.673 ( 2.264 -2.314 0.617) 3.296 2.729 ( -1.026 -0.296 -0.298) 1.108 2.752 ( 1.784 3.410 0.941) 3.962 2.802 ( 0.312 3.253 0.370) 3.288 2.879 ( 0.774 -0.892 -1.387) 1.822 2.901 ( -3.065 -1.925 -2.658) 4.491 2.922 ( -0.429 -1.775 1.360) 2.277 3.018 ( -0.703 -2.727 -1.537) 3.209 3.047 ( 1.586 -0.588 2.371) 2.912 3.159 ( 0.198 -3.175 -1.893) 3.702 3.185 ( 1.229 -2.088 1.351) 2.774 3.284 ( -4.508 -1.507 -3.926) 6.164 3.400 ( 4.033 -0.851 1.976) 4.571 3.422 ( -0.573 1.456 -0.013) 1.564 3.441 ( -0.239 1.108 2.696) 2.924 3.503 ( -0.905 1.349 -0.351) 1.662 3.645 ( 1.416 -2.224 -1.625) 3.097 3.654 ( -0.311 1.109 2.963) 3.179 3.673 ( -0.569 -0.995 0.778) 1.386 3.720 ( 2.266 0.300 4.109) 4.702 3.840 ( -0.655 2.818 -1.591) 3.302 3.951 ( -1.465 -1.904 -3.404) 4.167 4.037 ( -0.142 5.438 -1.069) 5.543 4.134 ( -0.679 2.833 -1.971) 3.517 4.219 ( 0.188 3.529 1.086) 3.697 4.292 ( -1.258 0.928 -2.439) 2.897 4.350 ( -0.932 -0.025 3.812) 3.925 4.377 ( 0.330 -1.599 1.807) 2.435 4.465 ( 0.827 -1.867 0.617) 2.134 4.523 ( 0.227 1.236 -2.776) 3.047 4.629 ( -0.854 -0.856 2.641) 2.905 4.670 ( 0.865 1.610 3.328) 3.797 4.737 ( 2.813 -3.735 -0.431) 4.695 4.808 ( 0.906 -0.168 -2.915) 3.057 4.836 ( 0.263 0.003 -3.841) 3.850 4.864 ( 0.734 -0.135 -1.756) 1.908 4.975 ( -0.404 0.366 0.600) 0.811 4.980 ( 0.892 0.212 0.538) 1.063 5.041 ( -0.441 -3.186 4.002) 5.134 5.123 ( -1.652 -4.018 0.411) 4.364 5.212 ( -1.622 -4.121 -0.222) 4.434 5.278 ( 0.993 -4.452 -1.153) 4.705 5.403 ( -1.241 -1.747 -1.950) 2.898 5.418 ( -0.941 -2.567 -2.194) 3.505 5.539 ( 1.252 2.673 1.856) 3.487 5.569 ( 0.174 1.889 0.355) 1.930 5.849 ( 2.521 0.998 3.375) 4.329 5.961 ( -2.667 -0.755 -1.316) 3.068 6.317 ( 0.853 0.615 1.434) 1.778 6.387 ( -0.450 -1.562 -1.420) 2.158 6.961 ( -0.460 4.345 0.416) 4.389 6.965 ( 0.845 3.850 0.192) 3.947 7.649 ( 1.669 -3.867 0.348) 4.227 7.683 ( -1.752 -4.305 -1.067) 4.768 8.025 ( -0.260 1.793 0.827) 1.992 8.068 ( 0.549 3.663 -0.960) 3.826 8.137 ( -1.050 0.583 1.073) 1.610 8.206 ( 0.794 0.303 -2.320) 2.470 8.333 ( -0.586 -3.892 2.657) 4.749 8.421 ( 0.240 -5.111 -1.445) 5.317 ======================= Grid point 84 (42/72) ======================= q-point: (-0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -3.543 8.108 -0.679) 8.874 0.870 ( -0.429 2.297 1.558) 2.809 0.940 ( -6.121 5.282 0.731) 8.118 1.019 ( -3.993 3.343 3.064) 6.042 1.084 ( -0.484 4.592 -1.463) 4.844 1.151 ( -2.832 -0.916 -1.364) 3.274 1.202 ( -1.429 -1.281 1.897) 2.698 1.253 ( -0.155 5.814 6.376) 8.630 1.402 ( -1.077 0.158 -9.431) 9.493 1.424 ( -2.653 -0.953 -3.646) 4.609 1.486 ( -2.232 -3.411 -1.590) 4.375 1.563 ( 3.210 -0.649 0.383) 3.297 1.683 ( -2.967 5.944 5.866) 8.863 1.786 ( -2.787 4.696 -2.982) 6.222 1.856 ( -4.472 1.193 -4.507) 6.460 1.969 ( 5.061 1.580 2.798) 5.995 2.200 ( -2.627 -2.129 0.056) 3.382 2.218 ( -1.994 0.346 2.239) 3.018 2.341 ( -0.549 0.061 -2.613) 2.670 2.374 ( 2.293 -5.609 1.571) 6.260 2.495 ( 2.254 1.383 0.940) 2.806 2.581 ( -0.193 1.343 -1.510) 2.029 2.603 ( 2.200 2.359 1.386) 3.511 2.630 ( 0.405 -0.302 0.509) 0.717 2.725 ( 2.265 0.909 0.482) 2.488 2.746 ( 3.466 -1.875 0.538) 3.977 2.763 ( -3.257 0.847 -2.048) 3.940 2.779 ( -0.397 0.684 0.883) 1.185 2.831 ( -1.313 0.658 -0.871) 1.707 2.874 ( -1.299 -1.027 0.982) 1.926 2.936 ( 0.245 -0.407 0.984) 1.093 3.004 ( -0.659 -2.811 0.263) 2.900 3.053 ( -2.171 -1.279 0.785) 2.640 3.143 ( 0.047 -2.696 -1.085) 2.907 3.192 ( -1.256 0.669 -2.976) 3.298 3.220 ( -0.737 -1.555 2.783) 3.272 3.406 ( -0.375 2.456 -1.401) 2.853 3.430 ( 0.686 1.127 -0.744) 1.515 3.484 ( 1.580 1.557 0.836) 2.371 3.550 ( 2.979 -0.146 1.982) 3.581 3.651 ( -0.108 -2.491 -0.275) 2.508 3.672 ( 2.872 -2.071 -0.994) 3.677 3.688 ( 0.136 1.704 2.841) 3.316 3.770 ( 0.238 1.943 -1.348) 2.377 3.833 ( 0.718 1.663 1.954) 2.664 3.886 ( -1.004 -0.576 -3.436) 3.626 4.066 ( 1.070 3.460 3.125) 4.783 4.081 ( -0.912 3.343 -3.295) 4.782 4.215 ( -2.882 1.550 -0.691) 3.345 4.270 ( 1.033 2.493 0.671) 2.780 4.325 ( -4.222 -0.241 2.983) 5.175 4.408 ( 0.648 -1.886 0.940) 2.205 4.471 ( -0.075 -0.708 -1.412) 1.581 4.505 ( -0.498 0.013 -0.895) 1.025 4.619 ( -1.686 -0.680 0.571) 1.905 4.712 ( -0.426 2.167 2.465) 3.310 4.757 ( -1.471 1.707 -4.765) 5.271 4.777 ( 1.274 -3.477 0.651) 3.760 4.838 ( 3.477 -0.641 -1.601) 3.881 4.868 ( 2.336 -0.725 -4.084) 4.760 4.975 ( 0.017 -0.430 -0.827) 0.933 5.011 ( 2.131 1.548 1.320) 2.946 5.078 ( -0.087 -5.710 3.143) 6.518 5.131 ( 1.810 -2.417 1.636) 3.434 5.187 ( -1.139 -3.476 -0.078) 3.659 5.277 ( -0.138 -4.177 0.027) 4.179 5.393 ( 1.360 -3.058 0.224) 3.354 5.404 ( 1.089 -2.458 -0.711) 2.781 5.566 ( -0.123 2.649 -0.402) 2.682 5.574 ( 1.468 2.109 0.370) 2.596 5.906 ( -1.028 0.707 -2.684) 2.960 5.954 ( 4.482 -1.362 3.670) 5.951 6.345 ( 0.091 0.042 0.856) 0.862 6.356 ( -0.660 -0.497 -1.303) 1.543 6.992 ( 3.934 5.125 0.271) 6.466 7.019 ( 5.153 3.789 0.290) 6.403 7.630 ( -2.571 -2.635 -2.245) 4.311 7.676 ( 0.522 -4.725 1.330) 4.937 8.022 ( -0.908 1.293 0.821) 1.781 8.069 ( 0.425 3.554 -0.797) 3.667 8.117 ( -2.423 0.610 1.025) 2.700 8.185 ( -0.939 0.567 -1.704) 2.027 8.328 ( -2.972 -4.575 2.698) 6.087 8.401 ( -0.790 -4.676 -1.689) 5.034 ======================= Grid point 85 (43/72) ======================= q-point: (-0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -6.642 7.648 3.855) 10.838 0.802 ( -10.303 7.128 5.983) 13.883 0.896 ( 0.324 -0.422 0.032) 0.533 1.005 ( -1.200 1.706 2.501) 3.257 1.035 ( -5.267 0.035 -1.190) 5.400 1.089 ( -0.670 0.716 2.047) 2.270 1.213 ( -2.306 4.371 -3.162) 5.867 1.263 ( -0.821 -1.118 -3.381) 3.655 1.289 ( -2.493 1.438 -7.589) 8.117 1.337 ( 0.782 -0.242 3.204) 3.307 1.386 ( -7.201 4.952 -1.806) 8.924 1.549 ( -8.271 5.852 -2.068) 10.341 1.627 ( -1.313 -5.304 -0.715) 5.511 1.761 ( -0.509 -1.602 0.303) 1.708 1.840 ( 4.505 2.044 1.777) 5.256 2.081 ( 2.690 -0.773 5.025) 5.752 2.152 ( -0.303 -0.395 -3.345) 3.382 2.232 ( 0.333 -0.196 1.363) 1.417 2.320 ( 0.524 0.162 -0.438) 0.702 2.414 ( 0.059 -3.868 1.139) 4.032 2.524 ( 0.134 0.121 -0.674) 0.698 2.576 ( 0.801 1.084 0.637) 1.491 2.605 ( -2.226 -1.041 -1.174) 2.723 2.652 ( 1.463 -1.072 0.358) 1.849 2.694 ( -2.448 2.856 2.288) 4.403 2.755 ( 1.736 3.070 -1.879) 3.996 2.776 ( -0.934 1.768 -0.842) 2.169 2.813 ( 3.052 0.100 -0.963) 3.201 2.839 ( 1.317 -0.371 0.841) 1.606 2.889 ( 1.681 0.245 1.885) 2.537 2.937 ( -0.574 -0.778 0.890) 1.314 2.972 ( -3.134 -1.339 0.865) 3.517 3.028 ( -0.437 -0.478 -1.119) 1.293 3.127 ( -1.557 -1.776 -1.080) 2.597 3.166 ( 0.414 -0.891 -0.524) 1.114 3.250 ( -0.364 -1.392 5.784) 5.960 3.382 ( 0.161 3.168 -2.797) 4.229 3.440 ( 0.520 1.740 0.126) 1.820 3.499 ( -1.217 2.485 0.023) 2.767 3.558 ( -0.157 0.549 -0.425) 0.712 3.670 ( 1.870 -0.708 -2.041) 2.857 3.702 ( -2.198 2.419 -3.322) 4.660 3.718 ( 1.619 1.719 0.034) 2.362 3.734 ( 3.566 -3.689 -1.247) 5.280 3.872 ( 0.232 0.072 2.394) 2.406 3.891 ( 1.587 1.615 2.512) 3.381 4.044 ( -0.207 2.651 -0.403) 2.690 4.117 ( 0.096 2.236 1.046) 2.471 4.154 ( -3.611 1.617 2.634) 4.753 4.271 ( -3.298 -2.492 -0.617) 4.179 4.285 ( -1.334 2.726 1.155) 3.247 4.425 ( 0.789 -3.297 -1.441) 3.684 4.456 ( 1.287 0.335 -0.558) 1.442 4.485 ( -2.042 0.785 2.233) 3.126 4.592 ( -0.796 -0.542 -1.398) 1.698 4.684 ( -0.916 1.163 -3.793) 4.072 4.713 ( -1.183 1.757 -0.413) 2.158 4.806 ( 1.402 -2.865 1.123) 3.382 4.863 ( 2.019 -0.342 -4.771) 5.191 4.892 ( 2.996 -0.471 -0.569) 3.086 4.962 ( 0.568 -1.541 -1.403) 2.160 5.051 ( 1.124 0.007 0.146) 1.134 5.101 ( 0.500 -3.991 2.188) 4.578 5.150 ( -1.681 -2.174 0.657) 2.826 5.217 ( 3.451 -3.082 1.417) 4.839 5.282 ( 0.483 -2.952 0.789) 3.094 5.422 ( 1.606 -0.805 1.167) 2.142 5.447 ( 1.524 -2.853 1.207) 3.452 5.569 ( 0.516 2.020 -0.892) 2.268 5.598 ( 2.830 1.926 -0.319) 3.438 5.875 ( 0.015 2.119 -1.905) 2.850 6.049 ( 2.836 -2.902 2.610) 4.824 6.302 ( -1.959 0.401 -2.015) 2.839 6.376 ( 0.741 -1.355 1.077) 1.883 7.103 ( 9.248 6.268 -0.007) 11.172 7.132 ( 7.761 4.081 -0.610) 8.789 7.560 ( -2.929 -0.405 -2.560) 3.911 7.688 ( -0.629 -4.922 1.302) 5.130 8.013 ( -1.003 1.110 0.757) 1.677 8.054 ( -2.232 2.926 0.058) 3.681 8.093 ( -0.577 0.499 0.816) 1.117 8.148 ( -1.660 0.987 -0.961) 2.157 8.280 ( -5.952 -5.578 2.958) 8.677 8.363 ( -1.756 -4.395 -1.898) 5.099 ======================= Grid point 86 (44/72) ======================= q-point: (-0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -15.173 3.443 10.889) 18.990 0.719 ( -4.684 12.562 1.903) 13.541 0.893 ( -0.572 -2.653 -3.029) 4.067 0.966 ( -0.778 -1.178 0.134) 1.418 1.005 ( -0.427 2.195 -0.553) 2.303 1.060 ( -3.042 1.112 -1.834) 3.722 1.165 ( 0.141 0.468 -1.154) 1.253 1.202 ( -0.948 2.519 -2.161) 3.452 1.232 ( -0.864 8.787 1.262) 8.919 1.304 ( -0.162 0.679 0.380) 0.795 1.377 ( -2.781 1.209 3.829) 4.885 1.428 ( -4.978 2.448 0.254) 5.553 1.580 ( 0.290 -6.202 -0.446) 6.225 1.812 ( 1.437 -4.695 3.274) 5.901 1.904 ( 3.748 -0.298 -3.176) 4.922 2.065 ( -4.152 -4.309 -3.561) 6.963 2.183 ( 3.057 0.997 -0.405) 3.241 2.234 ( 1.804 4.057 -2.702) 5.198 2.345 ( 1.797 -2.551 0.301) 3.134 2.398 ( -2.917 -2.091 1.448) 3.870 2.516 ( -1.209 0.154 -0.971) 1.559 2.556 ( -0.098 -2.494 0.367) 2.523 2.613 ( 0.203 1.280 3.061) 3.324 2.660 ( -0.090 -2.194 -0.484) 2.249 2.717 ( 0.991 3.327 2.037) 4.025 2.728 ( -1.597 5.759 -3.943) 7.160 2.749 ( -0.075 3.554 -0.369) 3.574 2.834 ( -0.463 -0.779 -0.545) 1.058 2.869 ( 2.864 -0.061 0.001) 2.865 2.909 ( 1.456 1.087 -1.804) 2.560 2.945 ( 0.206 2.862 0.523) 2.917 2.957 ( -1.983 -1.228 3.016) 3.813 3.013 ( -0.332 -0.612 -0.801) 1.061 3.079 ( -2.243 -0.579 -2.688) 3.549 3.145 ( -2.074 -1.491 -0.874) 2.700 3.284 ( -1.393 -3.232 0.586) 3.568 3.402 ( 2.521 1.973 2.646) 4.153 3.452 ( -0.052 2.128 2.765) 3.490 3.455 ( -2.078 3.832 1.123) 4.501 3.584 ( 1.962 1.511 0.328) 2.498 3.632 ( -1.241 3.564 -2.757) 4.673 3.681 ( 1.630 -0.191 -1.216) 2.043 3.721 ( 0.595 0.800 -3.429) 3.571 3.777 ( 1.756 -2.487 -0.181) 3.050 3.904 ( 0.188 1.411 2.358) 2.755 3.937 ( 0.606 -0.126 2.939) 3.004 4.027 ( -2.760 4.367 0.402) 5.182 4.088 ( -1.817 0.097 0.562) 1.905 4.175 ( 1.314 1.690 2.439) 3.245 4.204 ( -2.341 -2.577 -0.625) 3.538 4.264 ( -2.368 -0.270 1.213) 2.674 4.409 ( -0.258 -2.107 -2.136) 3.011 4.464 ( -0.133 0.679 0.195) 0.719 4.524 ( 1.229 -1.176 2.594) 3.103 4.572 ( 1.165 1.704 -1.116) 2.347 4.626 ( -1.522 1.493 -2.187) 3.054 4.727 ( 2.350 0.690 -0.411) 2.484 4.830 ( 0.649 -3.314 0.194) 3.383 4.868 ( 1.663 -0.369 -0.332) 1.736 4.900 ( -0.169 -1.590 -1.261) 2.036 4.985 ( 2.215 -0.682 -0.161) 2.324 5.062 ( 0.467 -0.814 0.235) 0.967 5.113 ( -1.811 0.319 0.684) 1.962 5.145 ( 1.503 -4.381 0.882) 4.715 5.264 ( 1.380 -3.539 0.677) 3.858 5.293 ( -0.304 -2.111 -0.911) 2.320 5.444 ( -0.151 -0.501 -0.097) 0.532 5.468 ( 0.077 -1.804 0.428) 1.856 5.558 ( 1.410 2.711 -1.851) 3.573 5.675 ( 3.794 1.111 1.247) 4.146 5.871 ( -0.074 2.336 0.976) 2.533 6.089 ( 0.227 -3.645 0.150) 3.655 6.266 ( -0.733 1.310 0.353) 1.542 6.393 ( 0.361 -2.655 0.272) 2.694 7.236 ( 5.631 4.532 -2.376) 7.608 7.287 ( 12.634 5.431 -5.534) 14.823 7.502 ( -1.571 1.850 1.605) 2.910 7.682 ( -0.948 -4.389 0.832) 4.567 7.995 ( -2.005 1.472 0.533) 2.544 8.019 ( -1.634 1.858 0.526) 2.530 8.097 ( -0.556 -0.387 0.459) 0.818 8.123 ( -0.028 1.510 -0.778) 1.699 8.181 ( -9.592 -5.473 5.228) 12.219 8.316 ( -1.036 -3.927 -2.370) 4.703 ======================= Grid point 87 (45/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -4.253 8.682 6.837) 11.841 0.792 ( -0.044 -7.502 2.387) 7.873 0.885 ( 0.984 3.933 -0.420) 4.076 0.920 ( -0.296 -0.763 -0.838) 1.172 1.028 ( 1.389 4.234 -0.583) 4.494 1.064 ( -0.030 4.443 -2.382) 5.042 1.192 ( 2.608 -0.729 3.994) 4.826 1.234 ( 1.850 1.801 -0.555) 2.641 1.257 ( -0.633 -2.897 -1.439) 3.296 1.315 ( 0.364 -5.277 2.005) 5.657 1.364 ( -1.365 2.316 0.586) 2.751 1.418 ( -1.155 -3.462 1.474) 3.936 1.674 ( 1.048 8.921 0.857) 9.023 1.784 ( -0.971 -2.120 -2.363) 3.320 1.874 ( -0.246 -0.209 -0.209) 0.385 1.906 ( 0.723 -3.486 1.861) 4.017 2.208 ( 1.154 0.795 -2.554) 2.913 2.231 ( 1.856 -0.250 -5.623) 5.926 2.355 ( -1.634 -0.950 1.383) 2.342 2.363 ( -2.925 -1.341 2.907) 4.337 2.481 ( 1.433 3.154 -3.561) 4.968 2.546 ( 1.049 -2.136 -1.310) 2.716 2.618 ( -0.637 1.345 2.910) 3.268 2.649 ( -0.470 -1.287 3.665) 3.913 2.727 ( -2.286 1.967 -3.022) 4.269 2.759 ( -0.654 -1.230 -3.076) 3.377 2.820 ( 0.853 3.146 0.216) 3.267 2.858 ( -0.791 2.873 -0.995) 3.142 2.880 ( 0.116 -2.277 -0.379) 2.311 2.901 ( -2.710 -1.548 -0.125) 3.124 2.957 ( 0.445 1.224 -0.346) 1.347 2.982 ( 1.424 -1.458 -1.399) 2.472 3.027 ( 0.138 2.001 -0.536) 2.077 3.039 ( 0.540 0.608 -1.956) 2.119 3.139 ( 0.904 2.209 1.819) 3.001 3.187 ( -1.238 -1.959 -0.528) 2.377 3.482 ( 1.544 0.820 2.868) 3.359 3.493 ( 1.358 -0.111 3.354) 3.620 3.565 ( -1.598 4.337 2.253) 5.142 3.623 ( -1.935 -0.639 -0.403) 2.078 3.674 ( 1.059 2.332 -1.100) 2.788 3.692 ( 1.252 0.779 -3.506) 3.804 3.717 ( 1.378 -1.349 -0.860) 2.111 3.736 ( 2.355 -2.761 -1.023) 3.771 3.935 ( -1.682 1.167 0.084) 2.049 3.944 ( -1.762 0.290 0.953) 2.024 4.074 ( -0.230 1.060 2.369) 2.605 4.092 ( -0.430 0.308 2.341) 2.400 4.160 ( 0.337 -0.040 2.670) 2.692 4.192 ( -1.402 -2.152 1.723) 3.093 4.268 ( 1.252 3.025 -1.062) 3.442 4.329 ( 0.458 -2.875 -2.967) 4.157 4.482 ( -1.044 1.003 -0.594) 1.565 4.495 ( -0.296 -0.173 -0.292) 0.450 4.630 ( -0.365 2.157 -0.909) 2.369 4.690 ( 0.265 -2.573 -2.395) 3.525 4.720 ( 1.968 2.351 3.461) 4.624 4.792 ( 2.107 -4.009 3.139) 5.510 4.843 ( -0.356 1.883 -2.020) 2.785 4.890 ( 0.447 -2.447 -0.487) 2.535 5.026 ( 1.015 1.970 2.816) 3.583 5.075 ( 0.430 -0.897 3.251) 3.400 5.098 ( -0.267 0.093 -0.559) 0.626 5.104 ( 0.247 -2.134 1.587) 2.671 5.212 ( -2.281 -1.280 -2.371) 3.530 5.221 ( -0.625 -2.358 -0.960) 2.622 5.408 ( -0.639 -0.302 -1.873) 2.002 5.417 ( -0.452 -1.283 -1.946) 2.374 5.669 ( 0.676 3.501 1.935) 4.057 5.713 ( -0.106 -0.801 1.037) 1.314 5.929 ( -0.108 2.563 0.926) 2.728 5.994 ( -0.855 -3.724 -1.179) 3.999 6.310 ( 0.614 1.443 1.400) 2.102 6.345 ( 0.095 -2.030 0.098) 2.034 7.337 ( -0.105 3.053 -4.328) 5.297 7.361 ( -0.389 0.858 -6.016) 6.089 7.590 ( 1.646 0.326 2.600) 3.094 7.617 ( 0.416 -2.332 0.828) 2.509 8.000 ( -1.144 1.155 1.015) 1.917 8.015 ( -0.490 0.049 0.776) 0.919 8.072 ( -1.460 0.900 2.059) 2.680 8.093 ( -0.252 -1.060 2.096) 2.362 8.161 ( 0.694 2.157 -0.965) 2.463 8.220 ( 1.138 -3.703 -1.857) 4.296 ======================= Grid point 88 (46/72) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 2.685 8.613 6.758) 11.273 0.846 ( 3.034 -7.135 2.865) 8.266 0.909 ( 2.493 3.266 -0.562) 4.147 0.941 ( 4.174 -1.599 -1.855) 4.840 1.020 ( -0.040 5.303 -3.136) 6.161 1.081 ( 3.473 3.569 -1.998) 5.366 1.210 ( -0.577 3.095 0.577) 3.200 1.234 ( -1.080 -0.157 0.266) 1.124 1.306 ( -0.689 -3.437 -2.540) 4.330 1.346 ( 6.614 -2.935 -0.153) 7.237 1.391 ( 2.201 0.141 3.960) 4.533 1.441 ( 2.681 -3.238 2.602) 4.944 1.742 ( 4.793 2.089 1.899) 5.563 1.750 ( 1.326 0.704 -4.164) 4.426 1.887 ( -0.443 2.047 2.769) 3.472 1.925 ( 0.408 -1.491 -0.717) 1.704 2.192 ( 1.035 3.050 -2.853) 4.303 2.203 ( 1.254 1.018 -3.720) 4.055 2.310 ( -3.193 0.663 1.586) 3.627 2.390 ( -1.130 -4.993 5.341) 7.398 2.489 ( 3.075 1.588 -2.967) 4.558 2.537 ( 0.268 -1.942 -1.941) 2.759 2.637 ( -2.482 1.949 -0.502) 3.196 2.659 ( 0.548 1.694 2.932) 3.430 2.702 ( -0.035 -0.996 -1.365) 1.691 2.718 ( 1.074 -1.101 0.316) 1.570 2.784 ( -3.104 1.598 -0.690) 3.559 2.807 ( -3.171 0.391 -0.308) 3.209 2.855 ( -1.947 0.640 -0.900) 2.238 2.889 ( -1.325 -1.749 1.239) 2.520 2.966 ( 0.719 0.958 0.484) 1.292 2.989 ( -0.057 -0.571 0.443) 0.724 3.044 ( 2.431 0.497 -1.235) 2.772 3.054 ( 2.517 -0.425 -1.472) 2.947 3.160 ( 0.257 3.365 -0.111) 3.377 3.204 ( 2.509 -0.413 1.286) 2.850 3.518 ( -0.224 1.916 1.275) 2.312 3.531 ( -1.365 1.588 0.082) 2.096 3.555 ( -0.870 1.277 1.810) 2.380 3.582 ( -0.986 0.588 -0.001) 1.148 3.638 ( -1.424 -0.252 -1.990) 2.460 3.674 ( -2.571 -3.396 -1.920) 4.672 3.722 ( 1.088 1.529 -2.221) 2.908 3.760 ( 0.180 -1.581 -1.476) 2.171 3.911 ( -1.263 0.514 2.377) 2.740 3.915 ( -1.646 0.336 1.399) 2.187 4.119 ( 1.032 1.824 3.690) 4.244 4.135 ( 2.145 0.336 1.352) 2.557 4.174 ( 0.393 -0.013 -0.600) 0.717 4.192 ( -0.061 -1.288 2.720) 3.010 4.289 ( 1.571 1.435 -0.957) 2.334 4.318 ( 1.915 -1.395 -3.363) 4.114 4.457 ( -1.184 1.414 -0.028) 1.845 4.489 ( 0.038 -1.282 -0.319) 1.322 4.628 ( -0.070 1.225 0.763) 1.445 4.672 ( 0.273 -2.951 -1.136) 3.174 4.769 ( -0.408 2.456 0.667) 2.578 4.810 ( -0.241 1.187 -0.320) 1.253 4.850 ( 1.030 -2.802 0.248) 2.996 4.879 ( 0.085 -3.087 -1.894) 3.623 5.051 ( -1.311 3.612 0.416) 3.865 5.085 ( -0.621 2.016 -1.057) 2.359 5.107 ( 0.171 0.942 5.115) 5.204 5.135 ( -2.906 -1.536 -3.170) 4.566 5.146 ( -0.127 -4.020 4.148) 5.778 5.183 ( -0.834 -3.631 -2.148) 4.301 5.375 ( -1.570 -0.294 -1.019) 1.895 5.396 ( -0.377 -1.899 -0.253) 1.952 5.673 ( -2.200 2.870 0.947) 3.739 5.693 ( -2.243 0.872 0.226) 2.417 5.948 ( 0.183 -0.188 2.011) 2.028 5.965 ( -1.035 -1.849 -1.264) 2.467 6.332 ( 0.306 0.042 0.666) 0.734 6.340 ( -0.203 -0.784 -0.527) 0.966 7.253 ( -5.294 2.817 -2.338) 6.437 7.267 ( -5.140 1.448 -2.814) 6.036 7.602 ( -0.895 -0.212 -0.049) 0.921 7.622 ( -0.535 -2.359 0.517) 2.474 8.017 ( 1.388 2.291 1.536) 3.088 8.055 ( 3.457 -0.690 0.604) 3.577 8.081 ( 0.275 1.385 1.663) 2.182 8.117 ( 1.460 -1.370 0.553) 2.077 8.176 ( 1.852 1.894 -0.300) 2.666 8.239 ( 2.815 -4.209 -1.661) 5.329 ======================= Grid point 89 (47/72) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 4.478 6.116 5.239) 9.215 0.913 ( 2.803 -2.377 0.536) 3.715 0.958 ( 1.998 2.317 1.588) 3.447 1.015 ( 5.401 0.713 -1.939) 5.783 1.038 ( 7.306 -1.186 -2.650) 7.862 1.075 ( 0.189 -4.197 -4.176) 5.924 1.186 ( -2.754 1.327 -1.011) 3.220 1.230 ( -0.312 -1.383 0.873) 1.665 1.320 ( 5.964 10.019 0.538) 11.672 1.435 ( 4.894 2.461 -2.324) 5.951 1.499 ( 5.641 -3.240 2.658) 7.027 1.533 ( 4.454 -4.609 2.520) 6.887 1.717 ( -1.296 5.105 -2.733) 5.934 1.781 ( -2.332 -0.984 -0.161) 2.537 1.901 ( 1.365 2.574 -3.996) 4.945 1.958 ( 4.184 -2.247 2.521) 5.377 2.207 ( 2.953 1.862 0.089) 3.492 2.221 ( 0.656 -0.034 -0.521) 0.839 2.303 ( 0.172 3.222 2.966) 4.382 2.390 ( -1.515 -4.215 0.748) 4.541 2.505 ( -0.335 -1.252 -1.266) 1.812 2.521 ( -0.052 -2.443 -0.995) 2.639 2.611 ( 0.698 2.618 -0.187) 2.716 2.664 ( 0.232 -2.024 -0.973) 2.258 2.713 ( 0.702 2.277 -0.107) 2.385 2.753 ( 1.425 1.817 1.424) 2.713 2.761 ( -2.357 -1.009 1.614) 3.030 2.772 ( 0.360 0.556 1.896) 2.008 2.817 ( -1.948 2.134 0.340) 2.910 2.870 ( -1.461 -2.604 1.217) 3.224 2.976 ( -0.619 0.076 1.321) 1.460 2.989 ( -1.170 0.278 1.645) 2.038 3.063 ( 1.100 1.323 -1.277) 2.142 3.095 ( 3.086 -1.420 -0.957) 3.529 3.156 ( -0.146 4.374 -1.077) 4.507 3.250 ( 1.239 -3.146 1.155) 3.573 3.465 ( -2.276 1.746 -3.292) 4.367 3.492 ( -2.466 -0.680 -2.481) 3.564 3.544 ( -1.560 2.865 0.021) 3.262 3.587 ( -1.785 1.831 0.878) 2.703 3.605 ( -0.745 -2.533 -0.051) 2.641 3.630 ( -0.093 -0.660 1.794) 1.914 3.684 ( -2.504 -0.150 -2.851) 3.797 3.713 ( -3.384 -1.725 -1.079) 3.948 3.921 ( -0.544 0.445 1.751) 1.887 3.932 ( 1.206 -0.383 1.621) 2.056 4.144 ( 0.046 3.181 1.224) 3.409 4.168 ( 0.278 0.894 -1.558) 1.818 4.200 ( 2.541 0.574 3.097) 4.047 4.239 ( 1.376 -3.130 2.871) 4.464 4.299 ( 1.228 1.485 -1.058) 2.198 4.328 ( 2.872 -0.947 -3.455) 4.591 4.447 ( 0.007 1.849 -0.186) 1.859 4.496 ( 1.073 -2.623 -0.077) 2.835 4.631 ( -0.427 1.768 0.723) 1.958 4.672 ( -0.048 -1.959 0.104) 1.963 4.721 ( -2.235 3.329 -2.779) 4.878 4.813 ( -1.187 -5.327 -2.344) 5.940 4.840 ( 0.851 1.152 0.930) 1.708 4.881 ( 0.360 -2.580 -0.417) 2.638 5.006 ( -2.624 3.796 -1.604) 4.886 5.038 ( -0.975 3.662 -3.094) 4.892 5.077 ( -2.573 -1.625 -1.028) 3.212 5.131 ( -1.901 -3.275 1.436) 4.050 5.158 ( -0.091 -1.419 1.838) 2.324 5.184 ( -1.306 -2.299 2.525) 3.656 5.372 ( 0.594 -0.411 2.635) 2.732 5.397 ( 0.124 -2.352 1.267) 2.674 5.621 ( -2.982 2.898 -1.382) 4.382 5.650 ( -2.993 0.313 -0.305) 3.024 5.925 ( -2.179 1.224 -0.529) 2.555 5.967 ( -0.966 -2.795 2.006) 3.573 6.320 ( -0.240 0.864 -1.161) 1.467 6.345 ( 0.338 -1.669 -0.025) 1.703 7.140 ( -6.270 2.521 -0.180) 6.761 7.151 ( -6.349 1.496 -0.544) 6.546 7.588 ( 0.099 0.205 -0.920) 0.948 7.619 ( -0.183 -2.999 0.314) 3.021 8.055 ( 0.847 3.196 1.954) 3.840 8.104 ( 0.971 1.112 0.454) 1.545 8.115 ( 2.471 0.039 0.702) 2.569 8.150 ( 3.058 -1.725 -1.405) 3.782 8.214 ( 2.222 1.109 0.600) 2.555 8.277 ( 3.001 -4.738 -1.163) 5.727 ======================= Grid point 90 (48/72) ======================= q-point: ( 0.38 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 1.927 4.117 2.325) 5.105 0.951 ( 1.309 -1.705 -1.017) 2.378 1.002 ( 2.240 1.609 0.717) 2.850 1.067 ( 2.217 -4.070 -0.016) 4.635 1.114 ( 4.575 3.091 2.964) 6.267 1.119 ( 2.537 0.548 -0.032) 2.595 1.177 ( 1.572 0.783 -0.374) 1.796 1.240 ( 2.196 -3.445 0.600) 4.129 1.424 ( 5.183 7.831 -3.421) 9.995 1.455 ( 1.627 6.741 -4.738) 8.399 1.591 ( 2.687 -0.935 0.926) 2.992 1.609 ( 3.030 -2.258 -1.440) 4.044 1.694 ( -2.145 1.389 0.068) 2.556 1.737 ( -0.392 -0.588 4.818) 4.869 1.898 ( 2.034 5.501 -2.137) 6.242 2.036 ( 3.161 -7.494 1.144) 8.214 2.178 ( -2.957 3.905 -2.407) 5.458 2.252 ( -2.788 -3.187 1.610) 4.530 2.330 ( 3.945 3.371 -1.123) 5.309 2.395 ( 0.927 -1.414 -1.332) 2.153 2.481 ( -1.291 0.133 1.142) 1.729 2.520 ( 1.814 -4.258 -1.786) 4.961 2.613 ( -1.064 3.287 0.277) 3.466 2.666 ( 0.429 -1.329 -0.915) 1.670 2.723 ( -1.986 2.440 0.520) 3.189 2.746 ( 1.888 2.197 0.543) 2.948 2.768 ( -1.654 -0.621 1.113) 2.088 2.801 ( 1.778 -1.008 2.118) 2.943 2.834 ( 1.657 0.989 1.605) 2.510 2.863 ( -0.284 -1.654 -0.374) 1.719 2.964 ( -2.782 -0.367 0.676) 2.886 2.977 ( -1.994 -1.240 1.349) 2.708 3.060 ( 0.646 2.436 -2.071) 3.262 3.114 ( 1.341 -1.328 -1.951) 2.714 3.149 ( 0.401 3.097 -0.441) 3.153 3.267 ( -0.293 -5.940 0.099) 5.948 3.408 ( -1.735 2.037 -1.998) 3.340 3.432 ( -0.978 -0.148 -0.673) 1.197 3.516 ( -2.040 3.480 0.468) 4.061 3.564 ( 0.128 0.710 0.877) 1.136 3.604 ( -2.992 -2.524 -0.954) 4.028 3.617 ( -1.527 -1.657 -0.765) 2.379 3.658 ( 0.303 0.808 3.203) 3.318 3.675 ( -0.250 -0.559 2.401) 2.478 3.914 ( -0.881 1.700 -0.651) 2.022 3.950 ( 0.538 -1.772 -2.007) 2.730 4.140 ( -1.042 2.538 -0.140) 2.747 4.165 ( -0.136 0.572 0.551) 0.806 4.256 ( 1.107 0.444 0.899) 1.494 4.276 ( 0.800 -2.195 1.481) 2.766 4.323 ( 2.247 1.757 -0.217) 2.861 4.350 ( 2.448 -0.545 -1.331) 2.839 4.449 ( 0.173 2.110 0.083) 2.119 4.515 ( 0.285 -4.122 0.147) 4.134 4.631 ( 0.219 3.343 0.866) 3.460 4.672 ( -0.197 -0.819 0.637) 1.056 4.683 ( -0.008 2.837 0.027) 2.837 4.771 ( -0.389 -4.318 -1.597) 4.620 4.867 ( 0.467 -0.813 -0.240) 0.968 4.873 ( 0.135 -0.644 -1.769) 1.887 4.959 ( -0.484 3.072 -1.377) 3.401 5.019 ( 0.421 -0.649 -1.520) 1.705 5.025 ( -2.024 2.802 0.123) 3.459 5.097 ( -3.282 -2.529 1.189) 4.311 5.165 ( -2.229 -3.307 1.350) 4.210 5.171 ( 0.151 -3.522 0.012) 3.525 5.405 ( 0.005 -0.860 0.764) 1.150 5.412 ( -0.461 -1.445 0.420) 1.574 5.568 ( -1.286 2.738 -0.545) 3.074 5.599 ( -1.706 -0.207 -0.714) 1.861 5.885 ( -2.081 3.076 0.485) 3.745 5.953 ( -2.074 -3.561 0.907) 4.219 6.317 ( 0.512 1.345 0.057) 1.441 6.351 ( 0.456 -2.082 0.039) 2.131 7.052 ( -3.826 2.122 0.230) 4.381 7.059 ( -4.090 1.539 0.268) 4.378 7.588 ( 0.664 -0.084 -0.506) 0.839 7.619 ( -0.069 -3.147 -0.059) 3.148 8.076 ( -0.163 3.267 1.303) 3.521 8.117 ( 0.494 0.315 -0.379) 0.698 8.152 ( 1.391 1.871 0.461) 2.376 8.187 ( 2.671 -1.475 -1.560) 3.427 8.253 ( 1.222 -0.086 1.117) 1.657 8.309 ( 1.771 -4.861 -0.863) 5.245 ======================= Grid point 91 (49/72) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.979 2.421 2.042) 3.315 0.936 ( -1.655 0.920 -0.691) 2.016 1.060 ( 2.347 3.168 2.782) 4.825 1.108 ( 1.209 0.468 0.381) 1.351 1.130 ( -0.409 1.362 0.465) 1.496 1.177 ( -1.261 1.376 0.249) 1.883 1.232 ( 2.798 -2.217 6.319) 7.257 1.291 ( 0.944 -3.699 1.674) 4.168 1.368 ( -1.940 8.609 -6.587) 11.013 1.463 ( 2.048 3.257 -5.214) 6.480 1.566 ( -2.842 -0.569 -5.688) 6.384 1.614 ( 0.952 -2.986 -4.027) 5.103 1.702 ( -0.764 5.337 7.747) 9.438 1.798 ( -0.263 -3.837 4.409) 5.850 1.940 ( 3.294 6.436 1.377) 7.360 2.051 ( -4.258 -0.094 -1.802) 4.624 2.138 ( 3.016 -2.663 -0.279) 4.033 2.195 ( -2.494 -4.850 -0.955) 5.537 2.350 ( -0.935 3.240 -2.661) 4.296 2.385 ( 0.635 -0.031 -2.313) 2.399 2.490 ( 1.410 1.188 0.034) 1.844 2.539 ( 2.142 -2.999 -1.955) 4.172 2.614 ( -0.159 2.433 2.510) 3.499 2.662 ( 0.374 0.339 -0.281) 0.577 2.704 ( 0.231 1.666 0.072) 1.684 2.728 ( -3.392 0.144 -0.075) 3.396 2.793 ( 0.776 1.726 0.608) 1.987 2.824 ( -0.823 0.183 0.895) 1.229 2.841 ( -0.271 -2.610 -0.330) 2.645 2.863 ( -1.719 -2.674 -0.313) 3.194 2.917 ( -0.819 1.880 0.680) 2.160 2.955 ( -0.419 -2.689 0.105) 2.723 3.061 ( 1.079 1.614 -1.275) 2.323 3.115 ( 0.708 -2.536 -2.245) 3.460 3.164 ( 1.250 1.789 0.684) 2.287 3.231 ( -1.928 -3.636 -2.316) 4.723 3.414 ( 2.464 1.669 1.308) 3.251 3.435 ( 1.478 -0.168 0.033) 1.488 3.496 ( -0.777 3.535 -0.086) 3.620 3.534 ( -1.527 0.909 -1.248) 2.171 3.597 ( 0.759 -2.085 0.026) 2.219 3.611 ( 0.261 -2.944 1.704) 3.412 3.695 ( 0.012 1.814 4.477) 4.831 3.724 ( 1.155 -0.778 5.158) 5.343 3.885 ( -0.948 1.794 -2.015) 2.860 3.917 ( -0.742 -1.513 -4.053) 4.390 4.122 ( -0.246 2.899 -0.966) 3.065 4.157 ( -0.630 -0.521 -1.288) 1.525 4.261 ( -0.825 0.940 1.001) 1.602 4.280 ( -1.286 -1.068 0.114) 1.675 4.366 ( 1.873 1.109 0.350) 2.204 4.376 ( 0.746 0.561 0.452) 1.037 4.456 ( -0.007 1.164 1.416) 1.833 4.502 ( -0.787 -2.702 -0.397) 2.842 4.660 ( -0.924 2.661 2.544) 3.795 4.685 ( 1.452 -1.067 1.173) 2.150 4.712 ( 1.393 2.110 2.505) 3.559 4.772 ( 1.340 -3.356 -0.659) 3.673 4.842 ( 0.500 0.792 -4.219) 4.322 4.858 ( -0.581 -1.000 -1.667) 2.029 4.966 ( 1.275 0.647 0.180) 1.441 4.994 ( -0.029 0.245 -0.656) 0.701 5.042 ( 0.630 1.897 1.240) 2.352 5.058 ( -1.064 -1.502 0.208) 1.852 5.137 ( -1.395 -2.347 0.766) 2.836 5.179 ( 0.578 -5.034 -0.413) 5.084 5.370 ( -2.008 -0.883 -2.499) 3.325 5.377 ( -1.463 -1.449 -2.427) 3.183 5.578 ( 1.044 1.533 1.318) 2.275 5.594 ( 0.799 0.141 0.396) 0.903 5.878 ( 0.399 2.013 1.597) 2.601 5.925 ( -1.294 -2.452 -0.348) 2.794 6.334 ( 0.610 1.067 1.140) 1.676 6.358 ( 0.062 -1.350 0.138) 1.358 7.025 ( 0.396 1.761 0.294) 1.829 7.026 ( 0.100 1.762 0.284) 1.788 7.597 ( 0.499 -1.039 0.014) 1.152 7.611 ( -0.534 -2.438 -0.591) 2.565 8.076 ( -0.933 2.862 0.813) 3.118 8.114 ( -0.189 -0.314 -0.572) 0.679 8.167 ( -0.089 2.916 0.298) 2.932 8.206 ( 1.070 -0.489 -1.357) 1.797 8.270 ( -0.585 -1.167 1.353) 1.880 8.319 ( 0.345 -4.742 -0.893) 4.838 ======================= Grid point 92 (50/72) ======================= q-point: (-0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -5.022 1.913 1.895) 5.698 0.897 ( -3.535 0.408 1.813) 3.994 1.073 ( -4.632 6.393 0.924) 7.949 1.109 ( -0.847 2.569 -2.253) 3.520 1.122 ( -1.811 2.064 0.349) 2.768 1.156 ( 0.226 -0.585 0.238) 0.671 1.226 ( -3.625 5.433 -1.324) 6.665 1.293 ( -1.364 -2.728 3.081) 4.335 1.378 ( -0.896 -5.279 2.688) 5.991 1.382 ( -2.957 -3.361 -4.417) 6.289 1.473 ( -3.108 6.342 -3.356) 7.819 1.558 ( -1.848 -1.505 -3.379) 4.135 1.765 ( 0.032 2.826 4.313) 5.157 1.812 ( -0.585 -1.441 1.837) 2.407 1.921 ( -5.426 5.402 -4.122) 8.696 2.009 ( -0.225 -0.202 2.685) 2.702 2.144 ( 1.326 -0.958 -2.401) 2.906 2.228 ( 3.641 -6.991 1.639) 8.051 2.284 ( -3.689 5.322 -0.757) 6.520 2.362 ( -0.608 -1.033 -2.075) 2.396 2.521 ( 2.499 1.907 -0.505) 3.184 2.568 ( 1.564 -2.602 -1.446) 3.362 2.622 ( -0.039 1.667 1.665) 2.356 2.657 ( 0.306 0.420 -1.012) 1.138 2.707 ( -0.122 -0.915 0.029) 0.924 2.727 ( 1.203 -1.064 1.311) 2.074 2.782 ( -1.529 1.990 1.286) 2.820 2.793 ( -1.318 0.642 0.142) 1.472 2.843 ( 0.024 -0.733 3.064) 3.151 2.849 ( -1.440 -1.384 0.835) 2.164 2.931 ( 1.099 0.720 -0.107) 1.318 2.959 ( 0.996 -1.827 -0.548) 2.152 3.067 ( 0.351 2.622 0.149) 2.650 3.110 ( 0.834 -1.057 -1.761) 2.217 3.182 ( -0.636 -1.064 -3.243) 3.472 3.189 ( 0.223 -1.676 1.691) 2.391 3.454 ( 0.914 1.665 -2.206) 2.911 3.457 ( 1.844 1.133 -1.300) 2.525 3.515 ( 1.971 1.712 0.160) 2.616 3.546 ( 4.521 -0.890 1.314) 4.792 3.607 ( -1.399 -1.082 0.300) 1.794 3.621 ( 1.232 -2.092 0.806) 2.558 3.739 ( 0.224 2.866 3.419) 4.467 3.784 ( 0.194 -1.050 1.538) 1.872 3.857 ( 0.109 0.729 -0.366) 0.823 3.869 ( -0.541 -0.752 -2.155) 2.346 4.119 ( -0.050 1.540 -0.024) 1.541 4.127 ( -0.159 0.956 -1.898) 2.132 4.238 ( -3.421 0.787 0.620) 3.564 4.256 ( -1.947 -1.326 1.525) 2.806 4.366 ( -1.409 2.009 0.207) 2.462 4.387 ( 0.113 -0.455 -0.506) 0.690 4.471 ( 0.260 0.831 0.433) 0.972 4.495 ( 0.301 -1.196 -0.344) 1.281 4.635 ( -3.085 2.537 0.795) 4.072 4.697 ( -1.846 -3.272 1.108) 3.917 4.756 ( 0.782 0.865 1.404) 1.825 4.771 ( -0.626 -0.896 -1.727) 2.044 4.838 ( 3.412 0.871 -1.678) 3.900 4.854 ( 2.205 -0.903 -2.471) 3.432 4.975 ( 0.060 0.599 -2.065) 2.151 4.999 ( 0.752 -1.857 -1.199) 2.335 5.049 ( 1.001 2.110 0.994) 2.538 5.097 ( 2.518 -2.051 1.281) 3.491 5.133 ( -0.282 -0.123 1.412) 1.445 5.189 ( 1.124 -4.273 -0.007) 4.418 5.348 ( 1.034 -1.128 0.850) 1.751 5.356 ( 1.265 -1.845 -0.122) 2.240 5.602 ( 0.838 1.223 -0.198) 1.496 5.609 ( 0.959 0.700 -0.744) 1.401 5.910 ( 0.342 0.178 -0.541) 0.665 5.925 ( 2.438 -1.276 1.934) 3.363 6.347 ( -0.621 0.176 -0.042) 0.646 6.351 ( -0.300 -0.162 0.155) 0.374 7.068 ( 4.814 2.244 0.260) 5.318 7.076 ( 5.136 1.458 0.264) 5.345 7.591 ( -0.944 -0.862 -0.874) 1.548 7.604 ( 0.175 -2.238 0.277) 2.261 8.063 ( -1.539 2.434 0.987) 3.045 8.101 ( -1.098 -1.018 0.152) 1.505 8.154 ( -1.502 3.390 -0.175) 3.712 8.198 ( -0.568 0.054 -1.167) 1.299 8.256 ( -2.601 -1.380 1.263) 3.204 8.306 ( -0.851 -4.586 -0.975) 4.765 ======================= Grid point 93 (51/72) ======================= q-point: (-0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -8.938 2.484 4.351) 10.247 0.845 ( -4.200 -2.218 1.898) 5.115 0.977 ( -6.042 5.126 -0.248) 7.928 1.030 ( -4.439 -0.188 -1.434) 4.669 1.068 ( -2.415 3.306 -2.458) 4.776 1.130 ( -1.744 -0.078 -1.544) 2.331 1.218 ( -1.017 1.889 -4.798) 5.256 1.260 ( -0.213 0.457 1.030) 1.147 1.296 ( -1.935 -0.048 -1.024) 2.190 1.368 ( -4.186 -4.032 0.981) 5.894 1.409 ( -3.159 4.272 3.427) 6.323 1.508 ( -4.147 -5.501 0.918) 6.950 1.732 ( -3.831 8.066 -2.239) 9.206 1.813 ( -1.683 6.117 -2.473) 6.810 1.838 ( 0.455 -1.569 0.821) 1.829 1.984 ( -2.984 -8.081 0.882) 8.659 2.189 ( 3.567 3.804 -0.708) 5.263 2.237 ( -1.295 0.996 0.449) 1.694 2.303 ( 2.647 -2.507 2.374) 4.351 2.344 ( 0.151 -3.848 0.310) 3.863 2.533 ( -0.429 1.443 -1.082) 1.854 2.551 ( -1.222 -0.836 -1.727) 2.275 2.650 ( -0.500 2.782 1.006) 3.000 2.653 ( 0.208 3.097 0.316) 3.120 2.729 ( 3.073 -4.142 -1.110) 5.275 2.748 ( 0.874 -4.919 1.117) 5.120 2.767 ( -0.380 3.312 1.381) 3.609 2.814 ( 0.908 -1.005 0.863) 1.606 2.845 ( 0.774 2.318 1.048) 2.659 2.889 ( 1.011 -2.040 2.943) 3.721 2.940 ( 1.283 3.200 -0.722) 3.523 2.978 ( 0.391 -0.468 0.809) 1.013 3.072 ( -0.261 3.182 0.238) 3.202 3.112 ( 0.015 0.017 0.666) 0.667 3.141 ( -0.369 -0.165 -4.380) 4.398 3.205 ( -0.737 -3.329 2.773) 4.394 3.438 ( 0.395 2.067 -2.866) 3.556 3.459 ( 0.466 -0.016 -1.725) 1.787 3.555 ( 1.523 3.041 0.935) 3.527 3.585 ( -0.437 1.389 -0.111) 1.460 3.642 ( 4.160 -1.850 0.169) 4.556 3.658 ( 2.383 -3.012 0.693) 3.902 3.742 ( -1.582 1.271 -3.497) 4.043 3.748 ( 0.287 0.787 -2.120) 2.279 3.871 ( 0.876 0.416 1.791) 2.037 3.893 ( 1.483 -1.175 1.733) 2.566 4.105 ( -0.749 2.751 1.400) 3.176 4.144 ( 0.142 -0.902 2.798) 2.943 4.175 ( -4.449 2.085 0.576) 4.947 4.221 ( -3.539 -2.337 0.233) 4.247 4.333 ( -2.008 2.042 -1.010) 3.037 4.371 ( -0.556 -2.051 -1.774) 2.768 4.472 ( 0.935 1.517 -1.053) 2.070 4.503 ( 0.177 -0.622 0.830) 1.053 4.601 ( -0.769 2.842 0.436) 2.976 4.678 ( -0.590 -3.265 1.034) 3.475 4.731 ( -1.365 1.443 -3.066) 3.653 4.771 ( 0.131 -1.577 -0.383) 1.628 4.862 ( 1.102 0.747 -1.907) 2.325 4.880 ( 1.740 -0.797 -0.813) 2.079 4.957 ( 1.032 0.947 -1.638) 2.156 4.996 ( 0.715 -3.144 -0.309) 3.239 5.079 ( 1.644 0.993 -0.226) 1.934 5.119 ( -0.347 -2.349 0.446) 2.416 5.173 ( 2.073 0.187 1.998) 2.885 5.216 ( 1.510 -3.328 0.782) 3.738 5.403 ( 2.156 -0.662 2.373) 3.274 5.407 ( 2.411 -0.993 1.991) 3.281 5.610 ( 1.216 1.580 -1.553) 2.527 5.622 ( 2.281 0.370 -0.499) 2.365 5.918 ( 0.712 2.585 -0.037) 2.681 5.981 ( 1.841 -3.596 1.487) 4.305 6.319 ( -1.280 1.279 -1.055) 2.095 6.348 ( -0.411 -1.492 -0.123) 1.553 7.188 ( 8.735 2.262 -0.185) 9.025 7.194 ( 8.726 1.644 -0.560) 8.898 7.565 ( -1.175 1.070 -0.861) 1.807 7.606 ( -0.269 -3.143 0.248) 3.164 8.046 ( -1.789 2.025 1.513) 3.097 8.081 ( -2.248 -1.150 1.459) 2.916 8.118 ( -2.073 2.757 -0.548) 3.493 8.166 ( -2.237 -1.045 -0.811) 2.599 8.210 ( -3.585 0.400 0.810) 3.697 8.273 ( -1.626 -4.344 -1.243) 4.802 ======================= Grid point 94 (52/72) ======================= q-point: (-0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -9.622 5.508 6.223) 12.714 0.800 ( -3.214 -5.998 2.339) 7.195 0.897 ( -2.137 5.269 -0.942) 5.763 0.957 ( -3.231 -1.065 -0.247) 3.411 1.028 ( -0.295 2.182 -1.264) 2.539 1.090 ( 0.239 -3.715 -3.501) 5.110 1.152 ( -2.367 6.971 1.153) 7.452 1.244 ( -1.059 2.713 -2.248) 3.679 1.282 ( 0.483 -2.698 -1.464) 3.107 1.312 ( -2.726 -3.665 1.457) 4.795 1.401 ( -3.474 1.072 2.677) 4.515 1.437 ( -3.608 -3.444 1.816) 5.309 1.672 ( -0.960 13.102 -0.400) 13.143 1.795 ( -1.119 3.085 1.408) 3.572 1.850 ( 2.154 -4.681 -0.595) 5.187 1.944 ( -2.739 -7.955 -1.223) 8.501 2.200 ( 0.846 1.378 -1.681) 2.333 2.239 ( 1.066 -2.052 -1.526) 2.770 2.356 ( 1.597 1.111 0.666) 2.057 2.371 ( 0.033 -0.716 1.751) 1.892 2.508 ( -1.299 0.192 -2.117) 2.492 2.524 ( 1.352 -1.289 -0.744) 2.011 2.631 ( -2.312 1.235 1.473) 3.007 2.644 ( -2.212 0.800 1.712) 2.909 2.757 ( 1.976 -1.161 -0.200) 2.300 2.773 ( 0.866 -0.459 -1.233) 1.575 2.794 ( 1.198 2.721 -0.770) 3.072 2.838 ( 2.417 -1.266 -1.000) 2.906 2.877 ( 1.778 2.693 0.034) 3.227 2.920 ( 0.710 -1.297 1.329) 1.987 2.954 ( -0.476 1.394 0.443) 1.538 2.978 ( -0.706 -0.655 0.410) 1.046 3.054 ( -1.653 2.825 -0.693) 3.346 3.080 ( -1.535 2.032 -3.837) 4.605 3.123 ( -0.365 0.410 1.342) 1.449 3.211 ( -1.328 -4.452 1.551) 4.898 3.436 ( 1.130 1.498 0.604) 1.971 3.459 ( 0.651 -0.621 0.372) 0.973 3.560 ( -0.833 5.076 1.923) 5.491 3.617 ( 2.290 0.577 0.454) 2.405 3.668 ( 0.458 -0.135 -0.535) 0.717 3.696 ( 0.618 2.149 -3.582) 4.223 3.708 ( 2.753 -2.927 -1.456) 4.274 3.728 ( 0.063 -1.152 -2.448) 2.707 3.917 ( 1.744 0.576 2.310) 2.952 3.932 ( 1.234 -0.698 1.679) 2.197 4.102 ( -4.027 1.678 0.853) 4.445 4.119 ( -1.174 3.958 2.430) 4.791 4.144 ( -3.897 -2.566 0.753) 4.727 4.181 ( -0.131 -1.894 3.180) 3.704 4.286 ( -1.427 2.542 -1.963) 3.515 4.349 ( 0.086 -3.438 -2.130) 4.045 4.485 ( 1.036 1.320 -0.529) 1.759 4.507 ( -0.387 -0.711 -0.072) 0.813 4.627 ( 2.371 3.804 1.370) 4.687 4.673 ( -1.544 3.281 -1.783) 4.041 4.705 ( 1.919 -3.170 0.387) 3.726 4.754 ( -0.784 -4.385 -0.524) 4.485 4.866 ( -0.144 0.283 -0.786) 0.848 4.878 ( 0.606 -0.539 -0.598) 1.008 4.985 ( 1.894 1.054 1.008) 2.390 5.027 ( 1.669 -2.720 1.900) 3.714 5.096 ( 0.694 -0.181 -0.328) 0.788 5.111 ( -0.790 -0.881 0.062) 1.185 5.213 ( 1.252 -0.570 0.600) 1.501 5.241 ( 0.155 -2.634 0.316) 2.657 5.427 ( 0.182 -0.348 -0.666) 0.774 5.437 ( 0.002 -1.173 -0.786) 1.412 5.631 ( 2.084 3.404 0.245) 3.998 5.676 ( 2.760 -1.081 1.252) 3.218 5.927 ( 0.008 3.433 0.443) 3.462 6.006 ( 0.194 -4.376 0.217) 4.385 6.299 ( -0.352 1.969 0.070) 2.001 6.342 ( -0.032 -2.387 -0.023) 2.388 7.313 ( 6.740 2.918 -2.629) 7.801 7.341 ( 8.989 0.386 -3.807) 9.770 7.545 ( -0.409 2.556 1.144) 2.830 7.604 ( -0.149 -3.431 0.657) 3.497 8.025 ( -2.558 1.642 1.440) 3.363 8.048 ( -2.850 0.189 0.874) 2.986 8.090 ( -1.354 -0.046 1.228) 1.829 8.105 ( -4.469 -1.652 1.203) 4.914 8.170 ( -1.007 2.573 -0.659) 2.840 8.236 ( -0.901 -3.880 -1.675) 4.321 ======================= Grid point 119 (53/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -10.352 0.000 -13.067) 16.671 0.548 ( 10.352 0.000 13.067) 16.671 0.648 ( 2.010 0.000 -15.232) 15.364 0.648 ( -2.010 0.000 15.232) 15.364 1.054 ( -1.500 0.000 -2.704) 3.093 1.054 ( 1.500 0.000 2.704) 3.093 1.107 ( -2.724 0.000 -19.637) 19.825 1.107 ( 2.724 0.000 19.637) 19.825 1.342 ( 0.933 0.000 -2.852) 3.001 1.342 ( -0.933 0.000 2.852) 3.001 1.418 ( 0.152 0.000 -5.611) 5.613 1.418 ( -0.152 0.000 5.611) 5.613 1.623 ( -0.623 0.000 -11.172) 11.190 1.623 ( 0.623 0.000 11.172) 11.190 2.095 ( -2.874 0.000 0.918) 3.017 2.095 ( 2.874 0.000 -0.918) 3.017 2.223 ( -1.981 0.000 0.147) 1.987 2.223 ( 1.981 0.000 -0.147) 1.987 2.384 ( -4.512 0.000 -6.290) 7.741 2.384 ( 4.512 0.000 6.290) 7.741 2.494 ( 1.258 0.000 -0.600) 1.394 2.494 ( -1.258 0.000 0.600) 1.394 2.608 ( 1.177 0.000 -1.147) 1.643 2.608 ( -1.177 0.000 1.147) 1.643 2.668 ( -2.735 0.000 -4.982) 5.684 2.668 ( 2.735 0.000 4.982) 5.684 2.795 ( -4.356 0.000 0.195) 4.360 2.795 ( 4.356 0.000 -0.195) 4.360 2.840 ( 1.185 0.000 -0.928) 1.505 2.840 ( -1.185 0.000 0.928) 1.505 2.948 ( 2.584 0.000 -1.925) 3.223 2.948 ( -2.584 0.000 1.925) 3.223 2.978 ( -4.540 0.000 -1.905) 4.924 2.978 ( 4.540 0.000 1.905) 4.924 3.173 ( 0.552 0.000 -3.801) 3.841 3.173 ( -0.552 0.000 3.801) 3.841 3.375 ( -1.216 0.000 -2.983) 3.221 3.375 ( 1.216 0.000 2.983) 3.221 3.530 ( 1.652 0.000 -1.477) 2.216 3.530 ( -1.652 0.000 1.477) 2.216 3.576 ( -4.823 0.000 -4.940) 6.904 3.576 ( 4.823 0.000 4.940) 6.904 3.838 ( 0.435 0.000 -1.540) 1.600 3.838 ( -0.435 0.000 1.540) 1.600 3.877 ( -2.077 0.000 -1.121) 2.360 3.877 ( 2.077 0.000 1.121) 2.360 4.058 ( 1.696 0.000 -3.411) 3.809 4.058 ( -1.696 0.000 3.411) 3.809 4.133 ( 0.080 0.000 -4.652) 4.653 4.133 ( -0.080 0.000 4.652) 4.653 4.396 ( -2.289 0.000 -6.289) 6.692 4.396 ( 2.289 0.000 6.289) 6.692 4.508 ( 4.736 0.000 -1.892) 5.100 4.508 ( -4.736 0.000 1.892) 5.100 4.646 ( -1.840 0.000 -5.071) 5.394 4.646 ( 1.840 0.000 5.071) 5.394 4.702 ( 0.404 0.000 -4.891) 4.908 4.702 ( -0.404 0.000 4.891) 4.908 4.982 ( 1.772 0.000 -1.284) 2.188 4.982 ( -1.772 0.000 1.284) 2.188 5.065 ( 0.217 0.000 -2.006) 2.018 5.065 ( -0.217 0.000 2.006) 2.018 5.168 ( -1.290 0.000 -4.449) 4.632 5.168 ( 1.290 0.000 4.449) 4.632 5.347 ( -3.002 0.000 0.112) 3.004 5.347 ( 3.002 0.000 -0.112) 3.004 5.395 ( -1.313 0.000 -2.073) 2.453 5.395 ( 1.313 0.000 2.073) 2.453 5.613 ( -0.047 0.000 -0.714) 0.715 5.613 ( 0.047 0.000 0.714) 0.715 6.019 ( -1.309 0.000 -6.438) 6.570 6.019 ( 1.309 0.000 6.438) 6.570 6.406 ( -3.185 0.000 -3.512) 4.741 6.406 ( 3.185 0.000 3.512) 4.741 7.019 ( 0.778 0.000 -6.190) 6.239 7.019 ( -0.778 0.000 6.190) 6.239 7.722 ( -9.508 0.000 -1.564) 9.636 7.722 ( 9.508 0.000 1.564) 9.636 8.008 ( 0.566 0.000 -3.515) 3.561 8.008 ( -0.566 0.000 3.515) 3.561 8.068 ( -0.995 0.000 -2.516) 2.706 8.068 ( 0.995 0.000 2.516) 2.706 8.370 ( -9.642 0.000 1.689) 9.789 8.370 ( 9.642 0.000 -1.689) 9.789 ======================= Grid point 121 (54/72) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( -2.820 0.000 -11.447) 11.789 0.524 ( 3.615 0.000 -16.522) 16.913 0.759 ( 0.419 0.000 13.397) 13.403 0.834 ( 9.892 0.000 10.381) 14.339 0.992 ( 7.996 0.000 -13.215) 15.445 1.010 ( -1.342 0.000 0.566) 1.456 1.104 ( 0.985 0.000 0.175) 1.000 1.274 ( -1.304 0.000 -5.922) 6.064 1.317 ( 1.378 0.000 -3.283) 3.560 1.366 ( 1.641 0.000 10.124) 10.256 1.435 ( 6.088 0.000 -5.679) 8.326 1.515 ( -0.704 0.000 -8.060) 8.091 1.546 ( 4.804 0.000 13.899) 14.706 1.714 ( -1.042 0.000 7.510) 7.582 2.028 ( -5.649 0.000 3.211) 6.498 2.073 ( -4.134 0.000 -2.104) 4.639 2.161 ( -1.450 0.000 -5.564) 5.750 2.273 ( 4.801 0.000 -0.838) 4.873 2.283 ( -3.442 0.000 1.775) 3.873 2.459 ( -0.289 0.000 1.295) 1.327 2.473 ( -2.441 0.000 1.594) 2.916 2.475 ( -2.426 0.000 -2.257) 3.313 2.603 ( 0.179 0.000 -0.466) 0.500 2.606 ( -0.258 0.000 0.530) 0.589 2.659 ( 3.958 0.000 -1.299) 4.165 2.736 ( -0.880 0.000 -2.573) 2.719 2.749 ( 1.129 0.000 1.778) 2.106 2.831 ( 0.393 0.000 -2.544) 2.574 2.844 ( 0.892 0.000 1.094) 1.412 2.860 ( -1.482 0.000 1.351) 2.006 2.889 ( -1.615 0.000 1.763) 2.391 2.975 ( 3.010 0.000 -1.891) 3.555 3.025 ( 6.714 0.000 5.252) 8.524 3.074 ( 2.039 0.000 1.935) 2.811 3.171 ( 2.209 0.000 -1.874) 2.897 3.257 ( 4.278 0.000 9.510) 10.428 3.338 ( -0.535 0.000 -1.380) 1.480 3.424 ( 1.654 0.000 1.916) 2.531 3.452 ( -3.823 0.000 -2.172) 4.397 3.550 ( 1.461 0.000 -0.330) 1.498 3.558 ( 2.114 0.000 0.449) 2.161 3.694 ( 0.057 0.000 3.000) 3.001 3.813 ( -3.918 0.000 -1.901) 4.355 3.813 ( -0.209 0.000 0.246) 0.323 3.830 ( -1.661 0.000 0.997) 1.937 3.932 ( 4.247 0.000 1.448) 4.487 3.977 ( -4.985 0.000 -7.178) 8.740 4.028 ( -1.976 0.000 1.134) 2.279 4.098 ( -0.305 0.000 -3.450) 3.464 4.188 ( 1.700 0.000 3.933) 4.284 4.328 ( -0.695 0.000 -3.179) 3.254 4.461 ( -2.194 0.000 2.013) 2.978 4.503 ( 3.513 0.000 3.575) 5.012 4.579 ( 5.976 0.000 -2.930) 6.656 4.582 ( -1.233 0.000 -3.134) 3.367 4.678 ( 2.535 0.000 -5.698) 6.236 4.679 ( -2.380 0.000 0.054) 2.380 4.788 ( 3.149 0.000 7.855) 8.462 4.932 ( -4.923 0.000 1.620) 5.183 4.954 ( -2.245 0.000 -2.644) 3.468 5.009 ( -4.034 0.000 -1.434) 4.282 5.056 ( -2.196 0.000 1.455) 2.634 5.134 ( 1.750 0.000 -4.088) 4.447 5.245 ( 2.159 0.000 4.668) 5.143 5.301 ( -1.423 0.000 -0.674) 1.574 5.334 ( -0.644 0.000 -2.836) 2.908 5.409 ( 1.036 0.000 2.146) 2.383 5.410 ( -3.252 0.000 2.165) 3.907 5.572 ( -2.864 0.000 -1.867) 3.419 5.577 ( -1.886 0.000 -1.061) 2.164 5.931 ( -1.861 0.000 -7.158) 7.396 6.098 ( 1.298 0.000 5.339) 5.495 6.311 ( -2.715 0.000 -4.314) 5.097 6.461 ( 0.746 0.000 1.085) 1.317 6.956 ( -1.795 0.000 -4.581) 4.920 7.031 ( -4.321 0.000 5.518) 7.008 7.568 ( -1.852 0.000 -6.380) 6.643 7.862 ( 7.601 0.000 -2.638) 8.046 7.995 ( 1.663 0.000 -2.995) 3.425 8.016 ( -3.376 0.000 3.062) 4.558 8.040 ( 0.884 0.000 -2.546) 2.695 8.092 ( 0.081 0.000 1.273) 1.275 8.314 ( -1.124 0.000 5.986) 6.091 8.529 ( 5.446 0.000 3.456) 6.450 ======================= Grid point 122 (55/72) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( 11.601 0.000 0.537) 11.613 0.566 ( 12.561 0.000 -6.039) 13.937 0.903 ( 3.682 0.000 7.688) 8.524 0.954 ( -1.962 0.000 -1.192) 2.296 1.016 ( -1.450 0.000 4.122) 4.370 1.099 ( 7.959 0.000 8.708) 11.798 1.147 ( -3.924 0.000 -4.482) 5.957 1.194 ( 11.959 0.000 -6.276) 13.505 1.297 ( 1.455 0.000 -5.623) 5.809 1.407 ( 1.965 0.000 -11.233) 11.404 1.423 ( -2.752 0.000 5.794) 6.415 1.508 ( 3.187 0.000 -4.418) 5.447 1.694 ( -4.214 0.000 3.737) 5.632 1.736 ( 2.981 0.000 -0.179) 2.986 1.975 ( -2.509 0.000 -1.547) 2.947 1.989 ( -3.323 0.000 3.967) 5.175 2.133 ( 1.040 0.000 -1.213) 1.598 2.244 ( -5.224 0.000 4.511) 6.903 2.335 ( 2.107 0.000 -1.494) 2.583 2.409 ( -1.662 0.000 -1.120) 2.005 2.455 ( -1.008 0.000 1.932) 2.179 2.473 ( 2.446 0.000 1.166) 2.709 2.605 ( -0.748 0.000 1.086) 1.318 2.628 ( 1.085 0.000 2.759) 2.964 2.692 ( 1.295 0.000 -1.484) 1.970 2.728 ( 0.349 0.000 0.823) 0.894 2.751 ( -1.512 0.000 1.134) 1.890 2.807 ( -3.753 0.000 0.369) 3.771 2.820 ( 1.005 0.000 -0.799) 1.284 2.877 ( 2.278 0.000 -1.029) 2.499 2.910 ( -1.043 0.000 4.517) 4.635 3.000 ( 2.400 0.000 -3.184) 3.988 3.098 ( 1.046 0.000 -0.073) 1.049 3.188 ( 4.553 0.000 5.152) 6.876 3.205 ( 3.066 0.000 -1.228) 3.303 3.322 ( -0.413 0.000 -1.164) 1.235 3.386 ( 0.438 0.000 -0.240) 0.499 3.460 ( 2.123 0.000 -1.082) 2.382 3.463 ( 3.990 0.000 9.982) 10.750 3.521 ( -3.195 0.000 -4.978) 5.915 3.608 ( 2.303 0.000 0.162) 2.308 3.634 ( -2.251 0.000 -0.195) 2.260 3.722 ( -2.548 0.000 -4.820) 5.452 3.805 ( -2.875 0.000 0.985) 3.039 3.820 ( -5.776 0.000 -0.405) 5.791 3.840 ( -0.752 0.000 1.180) 1.399 4.026 ( 0.728 0.000 2.568) 2.670 4.040 ( 0.268 0.000 -3.514) 3.524 4.068 ( 3.194 0.000 0.755) 3.282 4.246 ( 1.194 0.000 1.006) 1.562 4.302 ( 0.520 0.000 -0.788) 0.944 4.443 ( -1.017 0.000 -1.976) 2.223 4.537 ( -1.737 0.000 -1.216) 2.120 4.562 ( 0.685 0.000 -2.161) 2.267 4.620 ( -0.158 0.000 1.309) 1.318 4.649 ( 5.922 0.000 -3.875) 7.077 4.682 ( 3.257 0.000 -4.331) 5.419 4.837 ( -2.335 0.000 1.500) 2.776 4.876 ( -2.617 0.000 1.235) 2.894 4.910 ( -2.687 0.000 -1.506) 3.081 4.992 ( 0.832 0.000 4.579) 4.654 5.028 ( -2.523 0.000 1.089) 2.748 5.143 ( 2.098 0.000 -0.078) 2.099 5.285 ( -1.262 0.000 2.204) 2.540 5.287 ( -1.127 0.000 1.582) 1.942 5.323 ( 0.522 0.000 -0.037) 0.524 5.358 ( -1.920 0.000 0.085) 1.922 5.431 ( -0.790 0.000 2.401) 2.528 5.531 ( -0.716 0.000 -1.179) 1.379 5.569 ( 1.524 0.000 0.845) 1.742 5.825 ( -2.942 0.000 -6.047) 6.724 6.123 ( -3.685 0.000 1.966) 4.177 6.271 ( 1.186 0.000 -0.448) 1.267 6.455 ( -0.931 0.000 -1.574) 1.829 6.889 ( -2.027 0.000 -2.360) 3.111 6.980 ( -6.233 0.000 3.290) 7.048 7.566 ( 5.754 0.000 -3.136) 6.553 7.932 ( 2.621 0.000 -3.997) 4.779 7.962 ( -3.211 0.000 2.844) 4.290 8.004 ( 1.172 0.000 -0.691) 1.361 8.056 ( 3.586 0.000 -2.282) 4.251 8.117 ( 0.968 0.000 1.513) 1.797 8.383 ( 2.072 0.000 4.600) 5.045 8.576 ( -0.767 0.000 -0.234) 0.802 ======================= Grid point 123 (56/72) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 9.833 0.000 4.009) 10.618 0.695 ( 1.470 0.000 1.314) 1.972 0.906 ( -0.677 0.000 -4.766) 4.814 0.960 ( 7.232 0.000 -2.301) 7.589 1.091 ( 3.871 0.000 6.589) 7.642 1.162 ( 0.769 0.000 8.859) 8.893 1.203 ( -4.145 0.000 -1.193) 4.313 1.238 ( -0.738 0.000 -7.299) 7.336 1.324 ( 8.374 0.000 6.398) 10.539 1.390 ( -9.322 0.000 7.370) 11.883 1.406 ( 2.504 0.000 -8.999) 9.341 1.525 ( 10.615 0.000 -8.646) 13.691 1.608 ( -2.350 0.000 -4.950) 5.479 1.700 ( -2.185 0.000 -7.584) 7.893 1.945 ( -2.616 0.000 1.127) 2.849 1.962 ( -3.535 0.000 1.946) 4.035 2.187 ( 3.662 0.000 2.656) 4.524 2.227 ( -0.176 0.000 6.326) 6.328 2.323 ( 0.055 0.000 -2.644) 2.644 2.394 ( -0.643 0.000 -1.554) 1.682 2.476 ( 0.901 0.000 2.330) 2.498 2.537 ( 1.246 0.000 2.248) 2.571 2.597 ( -1.791 0.000 1.671) 2.449 2.636 ( -0.142 0.000 -3.285) 3.288 2.715 ( -0.150 0.000 1.439) 1.447 2.733 ( -1.854 0.000 1.701) 2.516 2.738 ( -0.793 0.000 2.729) 2.842 2.758 ( -2.496 0.000 0.699) 2.592 2.857 ( 2.530 0.000 1.548) 2.966 2.896 ( 1.894 0.000 -0.822) 2.064 2.930 ( -1.236 0.000 3.958) 4.146 2.989 ( 0.979 0.000 -5.657) 5.741 3.123 ( 2.152 0.000 -0.372) 2.184 3.219 ( 0.006 0.000 -2.175) 2.175 3.275 ( 1.431 0.000 2.742) 3.093 3.296 ( 0.260 0.000 -2.986) 2.998 3.398 ( 1.083 0.000 0.248) 1.110 3.426 ( -0.645 0.000 -4.514) 4.560 3.482 ( 2.992 0.000 -3.704) 4.761 3.562 ( -5.095 0.000 3.041) 5.933 3.590 ( 1.692 0.000 2.401) 2.937 3.623 ( -0.530 0.000 1.431) 1.526 3.699 ( -0.097 0.000 1.675) 1.678 3.797 ( -0.421 0.000 5.000) 5.018 3.801 ( -2.480 0.000 -2.814) 3.751 3.822 ( 2.965 0.000 3.723) 4.760 3.964 ( -2.537 0.000 -5.493) 6.050 4.022 ( -1.288 0.000 -3.212) 3.460 4.130 ( 2.541 0.000 0.051) 2.542 4.223 ( -1.617 0.000 -2.435) 2.923 4.349 ( 3.557 0.000 0.733) 3.631 4.410 ( -0.723 0.000 0.253) 0.766 4.506 ( -1.761 0.000 1.263) 2.167 4.543 ( -0.440 0.000 -2.065) 2.112 4.665 ( 1.430 0.000 2.091) 2.533 4.696 ( 1.645 0.000 -1.985) 2.578 4.707 ( 5.754 0.000 -4.617) 7.377 4.800 ( -4.111 0.000 2.791) 4.969 4.870 ( 0.527 0.000 0.457) 0.698 4.873 ( 0.134 0.000 -0.605) 0.620 4.990 ( -2.582 0.000 0.263) 2.595 4.990 ( -2.217 0.000 -0.596) 2.296 5.210 ( 2.149 0.000 3.865) 4.422 5.275 ( -1.552 0.000 1.328) 2.042 5.305 ( 0.365 0.000 3.038) 3.060 5.324 ( 0.104 0.000 0.160) 0.190 5.359 ( 1.539 0.000 0.048) 1.540 5.427 ( -1.789 0.000 1.184) 2.145 5.515 ( -0.468 0.000 0.088) 0.476 5.594 ( -0.760 0.000 -1.925) 2.070 5.773 ( 2.490 0.000 0.171) 2.496 6.028 ( -7.110 0.000 -1.132) 7.200 6.310 ( 1.285 0.000 2.747) 3.033 6.411 ( -1.225 0.000 -3.493) 3.702 6.850 ( -0.600 0.000 -0.921) 1.099 6.903 ( -4.873 0.000 1.335) 5.053 7.661 ( 6.638 0.000 -0.397) 6.650 7.863 ( -5.147 0.000 -0.225) 5.152 7.991 ( 2.893 0.000 -1.817) 3.416 8.015 ( -0.234 0.000 1.028) 1.054 8.104 ( 3.770 0.000 -1.698) 4.135 8.141 ( 0.034 0.000 1.351) 1.351 8.450 ( 1.370 0.000 3.508) 3.766 8.540 ( -1.036 0.000 -2.935) 3.112 ======================= Grid point 124 (57/72) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -2.829 0.000 0.607) 2.893 0.677 ( 2.829 0.000 -0.607) 2.893 0.963 ( -6.706 0.000 -2.590) 7.188 0.963 ( 6.706 0.000 2.590) 7.188 1.181 ( 0.456 0.000 -6.428) 6.444 1.181 ( -0.456 0.000 6.428) 6.444 1.230 ( -10.217 0.000 0.358) 10.224 1.230 ( 10.217 0.000 -0.358) 10.224 1.290 ( -1.953 0.000 -10.295) 10.479 1.290 ( 1.953 0.000 10.295) 10.479 1.522 ( -7.794 0.000 -2.643) 8.230 1.522 ( 7.794 0.000 2.643) 8.230 1.602 ( -1.272 0.000 -2.267) 2.599 1.602 ( 1.272 0.000 2.267) 2.599 1.925 ( -0.599 0.000 -0.419) 0.731 1.925 ( 0.599 0.000 0.419) 0.731 2.271 ( -3.521 0.000 -2.989) 4.619 2.271 ( 3.521 0.000 2.989) 4.619 2.338 ( -2.242 0.000 -6.151) 6.547 2.338 ( 2.242 0.000 6.151) 6.547 2.521 ( -2.623 0.000 -0.757) 2.730 2.521 ( 2.623 0.000 0.757) 2.730 2.597 ( 0.291 0.000 -3.342) 3.355 2.597 ( -0.291 0.000 3.342) 3.355 2.726 ( -0.053 0.000 -0.721) 0.723 2.726 ( 0.053 0.000 0.721) 0.723 2.734 ( 1.041 0.000 -1.320) 1.681 2.734 ( -1.041 0.000 1.320) 1.681 2.912 ( -1.537 0.000 -0.407) 1.590 2.912 ( 1.537 0.000 0.407) 1.590 2.945 ( 1.821 0.000 -6.027) 6.296 2.945 ( -1.821 0.000 6.027) 6.296 3.170 ( -2.675 0.000 -1.693) 3.166 3.170 ( 2.675 0.000 1.693) 3.166 3.292 ( 0.721 0.000 -0.731) 1.027 3.292 ( -0.721 0.000 0.731) 1.027 3.411 ( 0.563 0.000 -1.112) 1.246 3.411 ( -0.563 0.000 1.112) 1.246 3.505 ( 4.389 0.000 -4.039) 5.964 3.505 ( -4.389 0.000 4.039) 5.964 3.630 ( -0.198 0.000 -0.190) 0.274 3.630 ( 0.198 0.000 0.190) 0.274 3.727 ( -1.657 0.000 -3.679) 4.035 3.727 ( 1.657 0.000 3.679) 4.035 3.868 ( -1.651 0.000 -6.961) 7.154 3.868 ( 1.651 0.000 6.961) 7.154 3.932 ( -4.148 0.000 -4.667) 6.244 3.932 ( 4.148 0.000 4.667) 6.244 4.173 ( -1.730 0.000 -1.803) 2.498 4.173 ( 1.730 0.000 1.803) 2.498 4.402 ( 2.707 0.000 -2.061) 3.402 4.402 ( -2.707 0.000 2.061) 3.402 4.508 ( 0.526 0.000 -3.825) 3.861 4.508 ( -0.526 0.000 3.825) 3.861 4.694 ( -0.129 0.000 -1.391) 1.397 4.694 ( 0.129 0.000 1.391) 1.397 4.757 ( 4.829 0.000 -3.938) 6.231 4.757 ( -4.829 0.000 3.938) 6.231 4.882 ( 0.284 0.000 -0.644) 0.704 4.882 ( -0.284 0.000 0.644) 0.704 4.961 ( 0.417 0.000 -0.494) 0.646 4.961 ( -0.417 0.000 0.494) 0.646 5.257 ( -1.774 0.000 0.373) 1.813 5.257 ( 1.774 0.000 -0.373) 1.813 5.329 ( 0.010 0.000 -0.489) 0.489 5.329 ( -0.010 0.000 0.489) 0.489 5.396 ( -2.354 0.000 0.016) 2.355 5.396 ( 2.354 0.000 -0.016) 2.355 5.534 ( -1.327 0.000 -3.252) 3.512 5.534 ( 1.327 0.000 3.252) 3.512 5.884 ( -7.210 0.000 -2.545) 7.646 5.884 ( 7.210 0.000 2.545) 7.646 6.358 ( -0.909 0.000 -3.785) 3.893 6.358 ( 0.909 0.000 3.785) 3.893 6.854 ( -1.871 0.000 0.583) 1.960 6.854 ( 1.871 0.000 -0.583) 1.960 7.768 ( -5.887 0.000 -0.316) 5.896 7.768 ( 5.887 0.000 0.316) 5.896 8.013 ( 1.629 0.000 -1.799) 2.427 8.013 ( -1.629 0.000 1.799) 2.427 8.139 ( 1.857 0.000 -1.350) 2.296 8.139 ( -1.857 0.000 1.350) 2.296 8.497 ( -0.691 0.000 -3.241) 3.314 8.497 ( 0.691 0.000 3.241) 3.314 ======================= Grid point 129 (58/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -3.355 4.212 -10.634) 11.919 0.561 ( 3.355 4.212 10.634) 11.919 0.735 ( 4.388 4.875 -13.541) 15.046 0.735 ( -4.388 4.875 13.541) 15.046 0.993 ( -3.203 -1.167 -6.027) 6.925 0.993 ( 3.203 -1.167 6.027) 6.925 1.201 ( -3.102 2.782 -7.753) 8.802 1.201 ( 3.102 2.782 7.753) 8.802 1.353 ( 0.068 1.920 -7.536) 7.777 1.353 ( -0.068 1.920 7.536) 7.777 1.422 ( -0.210 1.182 -7.264) 7.362 1.422 ( 0.210 1.182 7.264) 7.362 1.603 ( -1.095 -1.057 -11.367) 11.468 1.603 ( 1.095 -1.057 11.367) 11.468 2.014 ( 2.169 -5.377 -2.964) 6.512 2.014 ( -2.169 -5.377 2.964) 6.512 2.200 ( -1.713 -3.586 -5.923) 7.132 2.200 ( 1.713 -3.586 5.923) 7.132 2.395 ( -2.468 2.271 -0.731) 3.432 2.395 ( 2.468 2.271 0.731) 3.432 2.523 ( -2.228 -0.720 -1.754) 2.925 2.523 ( 2.228 -0.720 1.754) 2.925 2.644 ( 0.128 3.752 -0.437) 3.779 2.644 ( -0.128 3.752 0.437) 3.779 2.650 ( -1.114 0.078 -3.030) 3.229 2.650 ( 1.114 0.078 3.030) 3.229 2.787 ( -2.031 -1.491 -3.151) 4.034 2.787 ( 2.031 -1.491 3.151) 4.034 2.889 ( -1.155 4.173 -0.387) 4.347 2.889 ( 1.155 4.173 0.387) 4.347 2.940 ( 0.722 -0.418 -0.815) 1.166 2.940 ( -0.722 -0.418 0.815) 1.166 2.981 ( -2.790 0.216 -2.254) 3.593 2.981 ( 2.790 0.216 2.254) 3.593 3.145 ( -0.318 -1.796 -1.795) 2.559 3.145 ( 0.318 -1.796 1.795) 2.559 3.423 ( -1.394 3.951 -2.732) 5.002 3.423 ( 1.394 3.951 2.732) 5.002 3.534 ( 0.526 0.593 -1.623) 1.807 3.534 ( -0.526 0.593 1.623) 1.807 3.590 ( -4.013 1.406 -3.939) 5.796 3.590 ( 4.013 1.406 3.939) 5.796 3.830 ( 0.338 -2.340 -0.779) 2.490 3.830 ( -0.338 -2.340 0.779) 2.490 3.880 ( -0.929 1.872 -0.450) 2.138 3.880 ( 0.929 1.872 0.450) 2.138 4.088 ( 1.690 2.017 -2.423) 3.577 4.088 ( -1.690 2.017 2.423) 3.577 4.152 ( -0.126 1.596 -4.896) 5.151 4.152 ( 0.126 1.596 4.896) 5.151 4.360 ( -0.698 -3.402 -4.898) 6.004 4.360 ( 0.698 -3.402 4.898) 6.004 4.479 ( -0.988 -0.948 -0.974) 1.680 4.479 ( 0.988 -0.948 0.974) 1.680 4.670 ( -0.637 0.464 -1.788) 1.954 4.670 ( 0.637 0.464 1.788) 1.954 4.715 ( -1.587 1.566 -3.710) 4.328 4.715 ( 1.587 1.566 3.710) 4.328 4.986 ( -0.180 -0.109 -1.480) 1.495 4.986 ( 0.180 -0.109 1.480) 1.495 5.045 ( -0.765 -2.098 -1.021) 2.455 5.045 ( 0.765 -2.098 1.021) 2.455 5.144 ( 0.007 -1.029 -4.708) 4.819 5.144 ( -0.007 -1.029 4.708) 4.819 5.326 ( -3.244 -2.178 -1.986) 4.383 5.326 ( 3.244 -2.178 1.986) 4.383 5.439 ( -2.302 2.361 -3.743) 4.989 5.439 ( 2.302 2.361 3.743) 4.989 5.595 ( 0.115 -0.490 -1.880) 1.946 5.595 ( -0.115 -0.490 1.880) 1.946 6.014 ( -1.390 -0.583 -6.041) 6.227 6.014 ( 1.390 -0.583 6.041) 6.227 6.387 ( -2.477 -1.593 -3.657) 4.695 6.387 ( 2.477 -1.593 3.657) 4.695 7.089 ( 1.003 6.024 -3.511) 7.045 7.089 ( -1.003 6.024 3.511) 7.045 7.701 ( -7.586 -1.975 -1.694) 8.020 7.701 ( 7.586 -1.975 1.694) 8.020 7.991 ( -0.872 -0.814 -1.283) 1.752 7.991 ( 0.872 -0.814 1.283) 1.752 8.082 ( -1.412 0.846 -0.613) 1.757 8.082 ( 1.412 0.846 0.613) 1.757 8.318 ( 5.468 -4.192 -3.384) 7.676 8.318 ( -5.468 -4.192 3.384) 7.676 ======================= Grid point 131 (59/72) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 5.513 13.709 -2.080) 14.922 0.680 ( 0.364 13.474 -11.420) 17.666 0.739 ( 3.658 -0.522 11.128) 11.725 0.870 ( 6.031 2.737 12.216) 13.896 0.919 ( 7.223 -3.344 -8.547) 11.680 1.011 ( -3.657 -1.509 1.199) 4.134 1.156 ( 2.567 3.183 -4.170) 5.841 1.244 ( -1.098 -1.555 -8.049) 8.271 1.311 ( 2.355 -0.468 -1.766) 2.981 1.388 ( -0.547 1.356 4.590) 4.818 1.436 ( 5.368 -0.203 -3.033) 6.168 1.444 ( -1.091 -4.668 -8.817) 10.036 1.607 ( 4.840 3.966 7.400) 9.691 1.719 ( 0.003 0.836 9.300) 9.337 1.968 ( -4.446 -4.349 1.133) 6.322 2.027 ( -0.617 -3.929 2.287) 4.588 2.114 ( -0.291 -2.736 -3.520) 4.467 2.235 ( -1.245 -0.580 -0.667) 1.527 2.369 ( -0.991 1.806 4.193) 4.672 2.442 ( -0.212 -0.246 -1.162) 1.207 2.482 ( 1.056 0.484 -1.131) 1.621 2.555 ( -0.596 4.417 -0.164) 4.460 2.598 ( -2.610 1.082 0.313) 2.843 2.647 ( 1.803 2.452 -0.020) 3.043 2.660 ( 1.380 1.376 -0.633) 2.049 2.694 ( -0.485 -1.775 0.051) 1.841 2.733 ( -0.796 -1.974 -0.699) 2.240 2.836 ( -0.634 -0.956 2.100) 2.393 2.847 ( -0.620 1.461 -2.927) 3.330 2.882 ( -1.297 0.423 0.275) 1.392 2.905 ( 0.455 2.046 -0.337) 2.123 2.988 ( 2.800 1.311 0.420) 3.120 3.008 ( 3.913 -1.013 3.197) 5.153 3.056 ( 2.884 -1.396 0.764) 3.294 3.149 ( 1.199 -1.917 0.403) 2.297 3.229 ( 4.570 -1.295 7.070) 8.517 3.384 ( -0.757 3.927 -1.509) 4.275 3.449 ( -2.992 1.004 -2.165) 3.827 3.488 ( 0.079 3.666 2.469) 4.420 3.531 ( 0.615 -0.568 -2.145) 2.302 3.578 ( 1.944 1.360 0.701) 2.474 3.677 ( 1.157 -0.550 0.587) 1.409 3.787 ( -3.206 -3.057 -4.652) 6.424 3.804 ( -1.989 -1.307 0.830) 2.520 3.879 ( -0.555 2.211 -1.291) 2.620 3.906 ( 2.680 1.732 3.950) 5.078 4.038 ( -2.123 2.775 -2.664) 4.394 4.061 ( -0.910 2.601 -2.199) 3.526 4.126 ( -0.492 2.190 -1.111) 2.505 4.204 ( 0.944 1.335 3.933) 4.260 4.320 ( -0.208 -0.781 -2.134) 2.282 4.423 ( 1.123 -4.688 2.554) 5.455 4.471 ( 1.023 -1.793 -0.283) 2.083 4.522 ( 2.190 -1.006 2.319) 3.345 4.598 ( -1.859 1.212 -3.853) 4.447 4.661 ( 2.624 -1.104 -6.753) 7.329 4.705 ( -0.781 0.569 0.301) 1.012 4.813 ( 3.295 0.982 4.873) 5.963 4.933 ( -4.725 -0.356 -0.817) 4.808 4.954 ( -2.471 -0.367 -3.524) 4.320 5.000 ( -3.412 -1.407 -0.007) 3.691 5.042 ( -1.143 -1.787 0.905) 2.306 5.128 ( 1.077 0.869 -1.367) 1.945 5.178 ( -1.109 -2.119 2.398) 3.387 5.280 ( 0.205 -1.324 1.570) 2.064 5.359 ( -0.294 -2.316 -1.356) 2.700 5.403 ( 0.313 1.484 1.444) 2.094 5.500 ( 1.139 1.436 1.777) 2.553 5.550 ( -2.631 -0.984 -0.129) 2.812 5.579 ( -3.845 2.836 0.056) 4.778 5.930 ( -1.891 -0.125 -6.387) 6.663 6.090 ( 1.230 -0.960 4.831) 5.076 6.306 ( -2.051 -0.350 -4.017) 4.524 6.438 ( 0.682 -2.153 1.228) 2.571 7.044 ( -4.226 7.329 -0.445) 8.472 7.079 ( -4.528 4.393 4.253) 7.608 7.568 ( -1.783 -0.004 -5.661) 5.936 7.809 ( 5.033 -5.171 -2.183) 7.539 7.971 ( -0.705 -0.052 0.861) 1.114 8.010 ( 0.614 0.214 -0.483) 0.810 8.078 ( 0.855 1.465 0.611) 1.803 8.104 ( 0.935 0.977 -1.043) 1.708 8.293 ( -0.526 -2.002 5.360) 5.746 8.431 ( 6.727 -7.763 -0.832) 10.306 ======================= Grid point 132 (60/72) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 2.709 16.870 -6.362) 18.232 0.666 ( 10.302 10.318 1.280) 14.637 0.899 ( 4.761 0.343 6.853) 8.352 0.959 ( -0.371 0.076 -0.849) 0.929 1.033 ( 4.292 0.575 1.628) 4.626 1.093 ( 7.130 0.337 6.733) 9.813 1.117 ( -2.357 -2.509 -0.881) 3.553 1.210 ( 7.268 1.727 -5.081) 9.035 1.279 ( -3.885 -3.481 -3.397) 6.225 1.361 ( 3.359 -2.571 -7.932) 8.990 1.411 ( -0.700 0.474 0.508) 0.987 1.495 ( 4.247 0.390 -3.942) 5.807 1.706 ( 2.226 -2.410 0.845) 3.387 1.754 ( -1.469 2.792 2.208) 3.851 1.893 ( -4.303 -4.306 -0.352) 6.098 2.041 ( -1.751 1.360 2.520) 3.357 2.147 ( 3.419 3.008 -1.571) 4.817 2.209 ( -0.703 -1.926 3.481) 4.040 2.363 ( -2.538 -0.503 0.077) 2.589 2.419 ( -1.015 1.582 0.586) 1.968 2.508 ( 1.684 3.461 -1.164) 4.021 2.551 ( 0.931 6.051 2.123) 6.480 2.574 ( -1.500 -1.547 2.305) 3.156 2.659 ( -0.990 1.842 1.996) 2.891 2.662 ( 0.486 -1.699 -1.971) 2.647 2.707 ( 0.770 -0.622 0.665) 1.192 2.714 ( -0.937 -2.625 0.153) 2.791 2.808 ( -2.611 0.301 1.771) 3.170 2.816 ( 0.172 0.234 -2.876) 2.890 2.906 ( 1.635 0.627 0.347) 1.786 2.927 ( 0.958 1.097 1.160) 1.862 3.020 ( 1.028 1.610 -0.876) 2.102 3.054 ( 1.152 -3.721 0.724) 3.962 3.150 ( 3.947 -3.012 1.759) 5.267 3.190 ( 2.296 -1.620 2.121) 3.521 3.342 ( 0.812 -2.798 1.866) 3.460 3.355 ( -0.713 1.932 -3.334) 3.918 3.418 ( 1.842 0.556 1.855) 2.673 3.492 ( -0.739 -0.193 -2.264) 2.389 3.549 ( 2.279 3.032 2.647) 4.626 3.607 ( 0.135 -0.493 -1.661) 1.738 3.652 ( -1.811 0.038 -0.653) 1.926 3.692 ( -1.318 -1.036 -2.687) 3.168 3.758 ( -4.288 -2.004 1.711) 5.033 3.844 ( -2.323 3.214 -0.027) 3.966 3.954 ( -1.440 5.658 -2.138) 6.218 4.034 ( 2.410 -2.622 0.786) 3.647 4.052 ( -0.347 1.980 1.217) 2.350 4.108 ( 0.320 5.862 -0.620) 5.903 4.255 ( 2.020 0.210 1.360) 2.444 4.302 ( 0.190 0.411 -1.312) 1.388 4.434 ( -0.268 -1.694 -1.128) 2.053 4.492 ( 1.118 -3.290 0.155) 3.478 4.540 ( -1.239 -0.501 -3.066) 3.345 4.592 ( 2.708 -1.013 2.778) 4.009 4.658 ( 3.896 -1.413 -5.774) 7.107 4.686 ( 0.203 0.996 -0.804) 1.296 4.839 ( -2.918 -0.860 -0.801) 3.146 4.860 ( -1.001 -0.641 0.706) 1.383 4.904 ( -2.865 -0.561 -1.386) 3.232 4.970 ( -0.175 -1.920 3.107) 3.656 5.027 ( -1.818 -0.519 0.685) 2.011 5.135 ( -1.246 0.329 3.496) 3.726 5.200 ( 2.775 -2.041 -0.358) 3.463 5.300 ( -0.729 -2.456 0.026) 2.562 5.343 ( -0.856 -2.148 0.117) 2.315 5.404 ( -1.815 3.416 0.278) 3.878 5.507 ( -1.190 2.019 -0.316) 2.365 5.514 ( -2.882 3.095 1.513) 4.491 5.539 ( 1.209 -2.650 1.830) 3.440 5.835 ( -2.766 1.206 -4.410) 5.343 6.113 ( -2.935 -1.152 1.545) 3.511 6.273 ( 1.072 0.260 -0.544) 1.230 6.436 ( -0.684 -1.824 -1.210) 2.293 6.955 ( -4.727 5.903 -0.578) 7.584 7.018 ( -6.379 3.559 2.892) 7.856 7.563 ( 4.905 -0.299 -2.753) 5.633 7.839 ( 1.061 -6.802 -1.916) 7.146 7.975 ( -0.333 1.494 1.601) 2.215 8.017 ( 0.687 0.960 -0.303) 1.219 8.099 ( 2.630 2.450 -2.304) 4.269 8.120 ( 1.259 0.278 0.783) 1.509 8.359 ( 2.022 -2.313 4.183) 5.190 8.494 ( 2.144 -6.948 -1.652) 7.456 ======================= Grid point 133 (61/72) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 5.937 7.271 -2.340) 9.674 0.771 ( -1.054 6.578 1.645) 6.862 0.923 ( 0.485 1.147 -3.716) 3.920 1.019 ( 5.201 4.735 -2.470) 7.455 1.105 ( 5.384 1.472 4.591) 7.227 1.149 ( -2.578 -3.770 0.843) 4.644 1.165 ( 0.481 -0.557 4.154) 4.219 1.231 ( 0.314 1.111 -1.959) 2.274 1.315 ( 7.739 -0.914 6.429) 10.102 1.358 ( -3.300 -1.825 -0.435) 3.796 1.425 ( 3.185 1.795 -5.875) 6.919 1.537 ( 5.431 2.611 1.340) 6.173 1.663 ( -4.283 0.800 -2.779) 5.168 1.743 ( 1.404 5.016 -8.440) 9.918 1.869 ( 1.129 -5.086 1.101) 5.325 1.978 ( -6.078 1.156 -0.544) 6.211 2.179 ( 3.763 0.592 1.364) 4.046 2.274 ( 1.671 2.177 4.046) 4.889 2.325 ( -1.005 -0.481 -0.333) 1.163 2.399 ( -1.934 0.445 -1.285) 2.364 2.522 ( 0.942 3.764 0.284) 3.891 2.555 ( -2.783 -2.345 1.664) 4.002 2.595 ( 1.324 3.337 -0.180) 3.595 2.634 ( -2.684 -2.269 -0.583) 3.562 2.683 ( 1.590 -0.347 1.579) 2.267 2.706 ( -1.444 -1.007 3.189) 3.642 2.729 ( 0.639 0.441 1.139) 1.379 2.773 ( -3.231 0.366 0.634) 3.313 2.833 ( 3.502 -1.013 -1.022) 3.786 2.909 ( 0.207 -0.039 -1.838) 1.850 2.951 ( 0.416 1.187 1.831) 2.221 3.009 ( -0.350 1.546 -2.125) 2.651 3.097 ( 2.184 -2.575 2.178) 4.018 3.196 ( 1.686 -3.203 -1.358) 3.866 3.240 ( 0.736 -3.227 1.736) 3.738 3.287 ( -1.427 0.309 -5.781) 5.963 3.368 ( 2.381 -1.043 0.204) 2.608 3.440 ( 0.061 -0.614 -1.704) 1.812 3.480 ( 1.230 0.802 -1.330) 1.981 3.549 ( -3.671 -1.482 1.751) 4.328 3.603 ( 0.456 1.957 2.863) 3.498 3.654 ( -0.412 2.070 0.519) 2.174 3.693 ( -0.061 -0.591 2.372) 2.445 3.747 ( 0.520 -2.485 1.724) 3.069 3.812 ( -1.615 1.903 1.784) 3.068 3.898 ( -0.148 3.558 -5.050) 6.179 3.997 ( -2.456 0.887 -1.542) 3.033 4.056 ( -1.119 3.954 -2.055) 4.594 4.141 ( 2.146 2.563 1.397) 3.623 4.247 ( -1.192 1.991 -2.996) 3.790 4.349 ( 3.924 0.101 1.430) 4.178 4.421 ( -0.524 0.350 0.901) 1.099 4.499 ( -1.395 -0.408 0.176) 1.464 4.504 ( 0.151 -3.289 -1.396) 3.577 4.657 ( 1.503 -0.372 2.929) 3.313 4.678 ( 3.330 -1.737 -2.992) 4.802 4.710 ( 2.869 0.333 -1.282) 3.160 4.804 ( -3.259 0.069 1.448) 3.566 4.845 ( -0.351 -1.880 0.399) 1.953 4.858 ( -0.338 -1.433 -1.039) 1.802 4.982 ( -1.244 -1.107 0.400) 1.713 4.997 ( -1.973 0.752 0.091) 2.113 5.159 ( -0.258 -3.149 4.515) 5.510 5.231 ( 0.120 -2.753 -1.027) 2.941 5.279 ( 1.734 -3.025 -2.177) 4.110 5.328 ( -2.090 -2.102 2.287) 3.744 5.388 ( 0.450 2.299 0.098) 2.344 5.467 ( -2.338 1.309 -1.477) 3.059 5.507 ( -0.661 0.817 2.163) 2.405 5.568 ( -0.267 -1.813 -0.902) 2.043 5.803 ( 1.753 2.587 1.729) 3.572 6.031 ( -5.995 -0.049 -1.570) 6.197 6.308 ( 1.418 -0.050 2.323) 2.722 6.401 ( -1.003 -0.916 -2.854) 3.160 6.894 ( -1.812 4.081 -0.426) 4.485 6.937 ( -4.937 3.213 1.203) 6.012 7.646 ( 5.688 -1.575 -0.122) 5.904 7.810 ( -2.698 -4.969 -1.078) 5.756 7.992 ( 1.168 0.962 0.285) 1.540 8.021 ( -0.224 0.822 0.240) 0.885 8.129 ( 3.163 1.639 -2.347) 4.266 8.145 ( 0.302 0.401 1.355) 1.445 8.422 ( 1.323 -2.698 3.174) 4.370 8.490 ( 0.327 -4.495 -2.741) 5.275 ======================= Grid point 134 (62/72) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -1.978 4.165 -2.204) 5.110 0.720 ( 1.978 4.165 2.204) 5.110 0.960 ( -4.408 1.305 -1.189) 4.748 0.960 ( 4.408 1.305 1.189) 4.748 1.165 ( -1.238 -1.372 -1.995) 2.719 1.165 ( 1.238 -1.372 1.995) 2.719 1.277 ( 0.216 0.805 -8.308) 8.350 1.277 ( -0.216 0.805 8.308) 8.350 1.299 ( -2.627 3.224 -6.218) 7.481 1.299 ( 2.627 3.224 6.218) 7.481 1.520 ( -6.595 -0.176 -5.528) 8.607 1.520 ( 6.595 -0.176 5.528) 8.607 1.669 ( -1.940 5.825 -7.179) 9.446 1.669 ( 1.940 5.825 7.179) 9.446 1.894 ( -1.859 -1.716 -0.314) 2.550 1.894 ( 1.859 -1.716 0.314) 2.550 2.288 ( -2.549 -2.571 -4.976) 6.153 2.288 ( 2.549 -2.571 4.976) 6.153 2.333 ( -0.212 3.281 -3.966) 5.152 2.333 ( 0.212 3.281 3.966) 5.152 2.536 ( 1.389 -1.157 -2.517) 3.099 2.536 ( -1.389 -1.157 2.517) 3.099 2.594 ( 1.479 0.990 -2.051) 2.716 2.594 ( -1.479 0.990 2.051) 2.716 2.718 ( 0.357 0.992 -2.406) 2.627 2.718 ( -0.357 0.992 2.406) 2.627 2.731 ( 0.235 -0.755 -0.351) 0.865 2.731 ( -0.235 -0.755 0.351) 0.865 2.886 ( -1.605 -1.627 -1.244) 2.602 2.886 ( 1.605 -1.627 1.244) 2.602 2.978 ( 1.101 1.758 -4.348) 4.817 2.978 ( -1.101 1.758 4.348) 4.817 3.162 ( -1.741 -1.427 -4.195) 4.761 3.162 ( 1.741 -1.427 4.195) 4.761 3.251 ( 1.175 -2.735 -1.903) 3.533 3.251 ( -1.175 -2.735 1.903) 3.533 3.412 ( -1.022 0.080 -0.969) 1.411 3.412 ( 1.022 0.080 0.969) 1.411 3.505 ( 3.536 -0.405 -3.050) 4.687 3.505 ( -3.536 -0.405 3.050) 4.687 3.644 ( -0.518 1.065 -2.759) 3.002 3.644 ( 0.518 1.065 2.759) 3.002 3.719 ( -1.017 -0.396 -3.011) 3.203 3.719 ( 1.017 -0.396 3.011) 3.203 3.850 ( -0.331 -0.186 -5.711) 5.724 3.850 ( 0.331 -0.186 5.711) 5.724 3.997 ( -1.734 4.301 -2.871) 5.454 3.997 ( 1.734 4.301 2.871) 5.454 4.193 ( -1.740 2.256 -2.674) 3.907 4.193 ( 1.740 2.256 2.674) 3.907 4.413 ( 2.132 0.564 -2.054) 3.014 4.413 ( -2.132 0.564 2.054) 3.014 4.489 ( 1.293 -1.560 -2.804) 3.459 4.489 ( -1.293 -1.560 2.804) 3.459 4.691 ( 0.465 -0.257 -2.075) 2.142 4.691 ( -0.465 -0.257 2.075) 2.142 4.752 ( 3.060 -0.277 -3.167) 4.412 4.752 ( -3.060 -0.277 3.167) 4.412 4.854 ( 0.296 -2.314 -0.890) 2.497 4.854 ( -0.296 -2.314 0.890) 2.497 4.969 ( -0.321 0.741 -0.131) 0.818 4.969 ( 0.321 0.741 0.131) 0.818 5.201 ( -1.327 -4.519 -1.933) 5.091 5.201 ( 1.327 -4.519 1.933) 5.091 5.308 ( 3.078 -2.442 -2.420) 4.614 5.308 ( -3.078 -2.442 2.420) 4.614 5.415 ( -1.863 0.405 -1.172) 2.238 5.415 ( 1.863 0.405 1.172) 2.238 5.530 ( -0.619 0.535 -3.021) 3.130 5.530 ( 0.619 0.535 3.021) 3.130 5.903 ( -5.909 1.346 -3.296) 6.899 5.903 ( 5.909 1.346 3.296) 6.899 6.355 ( -1.013 -0.246 -3.240) 3.404 6.355 ( 1.013 -0.246 3.240) 3.404 6.888 ( -1.551 3.265 0.432) 3.640 6.888 ( 1.551 3.265 -0.432) 3.640 7.738 ( -4.630 -3.021 -0.804) 5.587 7.738 ( 4.630 -3.021 0.804) 5.587 8.012 ( -0.394 0.567 -0.170) 0.711 8.012 ( 0.394 0.567 0.170) 0.711 8.150 ( 1.493 0.862 -1.745) 2.453 8.150 ( -1.493 0.862 1.745) 2.453 8.463 ( -0.241 -3.181 -3.000) 4.379 8.463 ( 0.241 -3.181 3.000) 4.379 ======================= Grid point 139 (63/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 6.099 5.236 -8.029) 11.361 0.680 ( -6.099 5.236 8.029) 11.361 0.822 ( 2.521 5.967 -9.711) 11.674 0.822 ( -2.521 5.967 9.711) 11.674 1.003 ( -2.144 -0.245 -1.422) 2.584 1.003 ( 2.144 -0.245 1.422) 2.584 1.198 ( -3.947 0.082 -2.668) 4.765 1.198 ( 3.947 0.082 2.668) 4.765 1.355 ( -1.770 -2.052 -2.748) 3.860 1.355 ( 1.770 -2.052 2.748) 3.860 1.464 ( 0.640 -0.592 -3.215) 3.331 1.464 ( -0.640 -0.592 3.215) 3.331 1.636 ( -2.188 4.828 -7.113) 8.871 1.636 ( 2.188 4.828 7.113) 8.871 1.935 ( 0.427 -2.281 -3.939) 4.572 1.935 ( -0.427 -2.281 3.939) 4.572 2.139 ( -2.098 -1.032 -3.712) 4.387 2.139 ( 2.098 -1.032 3.712) 4.387 2.408 ( -3.363 -1.892 -3.369) 5.123 2.408 ( 3.363 -1.892 3.369) 5.123 2.502 ( -0.222 0.274 -4.502) 4.515 2.502 ( 0.222 0.274 4.502) 4.515 2.651 ( 0.963 0.102 -0.722) 1.208 2.651 ( -0.963 0.102 0.722) 1.208 2.726 ( -0.376 1.209 -2.048) 2.408 2.726 ( 0.376 1.209 2.048) 2.408 2.764 ( -1.149 1.719 -2.225) 3.037 2.764 ( 1.149 1.719 2.225) 3.037 2.923 ( -3.030 -0.957 -1.064) 3.351 2.923 ( 3.030 -0.957 1.064) 3.351 2.966 ( -1.918 1.185 -1.572) 2.749 2.966 ( 1.918 1.185 1.572) 2.749 2.990 ( -0.304 1.485 -2.032) 2.535 2.990 ( 0.304 1.485 2.032) 2.535 3.133 ( -2.373 1.058 -1.988) 3.271 3.133 ( 2.373 1.058 1.988) 3.271 3.500 ( -1.270 3.125 -0.926) 3.498 3.500 ( 1.270 3.125 0.926) 3.498 3.557 ( 0.043 1.773 -2.208) 2.832 3.557 ( -0.043 1.773 2.208) 2.832 3.621 ( -2.289 1.526 -1.814) 3.295 3.621 ( 2.289 1.526 1.814) 3.295 3.777 ( -0.743 -2.725 -1.784) 3.341 3.777 ( 0.743 -2.725 1.784) 3.341 3.917 ( -1.181 1.554 -1.396) 2.400 3.917 ( 1.181 1.554 1.396) 2.400 4.117 ( -0.676 0.773 -1.076) 1.487 4.117 ( 0.676 0.773 1.076) 1.487 4.179 ( -1.166 1.039 -3.055) 3.431 4.179 ( 1.166 1.039 3.055) 3.431 4.299 ( 0.246 -2.162 -3.979) 4.536 4.299 ( -0.246 -2.162 3.979) 4.536 4.476 ( -0.050 0.207 -1.676) 1.690 4.476 ( 0.050 0.207 1.676) 1.690 4.662 ( 0.770 -0.886 -3.736) 3.916 4.662 ( -0.770 -0.886 3.736) 3.916 4.750 ( -2.054 1.800 -3.698) 4.597 4.750 ( 2.054 1.800 3.698) 4.597 4.936 ( -0.212 -4.278 -2.545) 4.982 4.936 ( 0.212 -4.278 2.545) 4.982 5.036 ( -0.026 1.222 -2.857) 3.107 5.036 ( 0.026 1.222 2.857) 3.107 5.140 ( -0.075 0.245 -4.811) 4.818 5.140 ( 0.075 0.245 4.811) 4.818 5.261 ( -1.778 -4.263 -2.490) 5.247 5.261 ( 1.778 -4.263 2.490) 5.247 5.429 ( -1.381 -2.334 -1.501) 3.100 5.429 ( 1.381 -2.334 1.501) 3.100 5.639 ( -1.176 3.987 -3.421) 5.384 5.639 ( 1.176 3.987 3.421) 5.384 5.992 ( -1.361 -1.569 -4.854) 5.280 5.992 ( 1.361 -1.569 4.854) 5.280 6.355 ( -1.284 -1.379 -2.859) 3.424 6.355 ( 1.284 -1.379 2.859) 3.424 7.212 ( 0.630 5.596 -1.377) 5.797 7.212 ( -0.630 5.596 1.377) 5.797 7.654 ( -3.530 -2.382 -1.552) 4.533 7.654 ( 3.530 -2.382 1.552) 4.533 7.994 ( -1.065 0.983 -0.312) 1.482 7.994 ( 1.065 0.983 0.312) 1.482 8.095 ( 0.209 0.576 -1.219) 1.365 8.095 ( -0.209 0.576 1.219) 1.365 8.236 ( 3.339 -3.806 -4.455) 6.744 8.236 ( -3.339 -3.806 4.455) 6.744 ======================= Grid point 141 (64/72) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 1.461 5.572 5.735) 8.129 0.796 ( 12.618 3.551 -4.777) 13.952 0.834 ( 6.736 4.585 -4.576) 9.345 0.904 ( 0.424 0.783 8.507) 8.553 0.965 ( -0.734 3.296 0.375) 3.398 1.036 ( 1.308 5.841 1.826) 6.258 1.117 ( -2.243 -2.223 -2.741) 4.182 1.267 ( 1.624 -0.599 -2.021) 2.661 1.290 ( -2.950 -3.840 -1.718) 5.138 1.367 ( -2.014 0.514 -3.327) 3.923 1.437 ( 5.450 0.086 -2.879) 6.164 1.459 ( 4.134 5.844 -6.030) 9.360 1.604 ( 0.349 -2.941 -2.055) 3.605 1.781 ( 2.138 3.286 8.826) 9.657 1.880 ( -2.425 -3.179 -3.297) 5.182 1.972 ( 1.692 -2.048 4.313) 5.065 2.127 ( 1.559 3.961 3.779) 5.692 2.208 ( 0.590 -1.811 1.425) 2.379 2.323 ( -2.410 -2.778 -0.310) 3.691 2.464 ( 0.112 0.263 -2.699) 2.714 2.493 ( 2.483 0.256 0.808) 2.624 2.545 ( 0.746 -3.251 1.778) 3.780 2.636 ( -1.226 0.465 0.114) 1.316 2.657 ( 0.289 0.417 0.473) 0.694 2.700 ( -0.558 0.298 -2.235) 2.323 2.730 ( -1.188 3.029 0.462) 3.287 2.740 ( -0.734 3.872 1.946) 4.395 2.804 ( 0.219 -0.904 2.765) 2.917 2.862 ( -3.134 -1.287 0.468) 3.420 2.899 ( -1.908 2.678 -2.204) 3.959 2.960 ( -0.791 3.050 -0.802) 3.251 2.992 ( 2.797 -1.209 0.799) 3.150 3.010 ( 1.049 0.112 -1.020) 1.467 3.035 ( 4.135 -0.145 0.991) 4.255 3.117 ( 0.521 -0.518 1.061) 1.291 3.231 ( 4.160 0.910 4.199) 5.980 3.451 ( -2.854 1.802 -2.567) 4.240 3.486 ( -1.037 2.753 -0.753) 3.037 3.531 ( -1.850 1.043 -2.983) 3.662 3.567 ( 1.093 3.550 1.774) 4.116 3.609 ( 0.307 1.738 0.735) 1.912 3.667 ( 0.300 -0.735 -0.308) 0.851 3.712 ( -2.397 -3.435 -3.176) 5.257 3.778 ( -1.651 -1.487 0.101) 2.224 3.915 ( 0.918 1.603 0.911) 2.060 3.947 ( 0.345 1.052 1.396) 1.781 4.090 ( -0.703 2.416 -2.727) 3.710 4.099 ( 0.471 1.390 -3.016) 3.354 4.169 ( 0.454 2.291 1.871) 2.993 4.219 ( 1.340 0.194 0.442) 1.424 4.290 ( 1.650 -2.439 -1.986) 3.551 4.349 ( 1.039 -2.416 4.165) 4.926 4.456 ( -1.219 0.015 0.402) 1.284 4.510 ( 1.588 -0.786 1.927) 2.617 4.618 ( -1.351 0.436 -3.540) 3.814 4.651 ( -0.142 0.959 -3.994) 4.110 4.710 ( -0.649 0.087 0.182) 0.680 4.819 ( 1.948 0.115 2.601) 3.252 4.893 ( -1.257 -3.820 -3.206) 5.143 4.924 ( -2.042 -2.309 -2.483) 3.958 4.987 ( -2.225 0.906 -1.002) 2.603 5.028 ( -2.720 0.469 2.600) 3.791 5.134 ( 2.199 -0.734 -1.450) 2.735 5.165 ( -2.683 -0.277 0.343) 2.719 5.234 ( 0.254 -2.713 3.049) 4.089 5.281 ( -0.573 -4.438 0.115) 4.476 5.423 ( 1.051 -1.040 2.109) 2.576 5.451 ( -0.137 -3.106 0.663) 3.178 5.573 ( -2.728 3.760 -2.376) 5.218 5.664 ( -2.255 3.384 1.997) 4.530 5.927 ( -1.344 -0.055 -4.230) 4.439 6.054 ( 0.887 -2.658 3.612) 4.572 6.303 ( -1.116 0.168 -2.917) 3.128 6.388 ( 0.379 -2.579 0.988) 2.788 7.179 ( -5.171 5.004 2.956) 7.780 7.185 ( -5.542 5.866 2.465) 8.438 7.569 ( -1.587 0.178 -3.788) 4.111 7.699 ( 1.506 -5.034 -0.693) 5.300 7.996 ( 1.029 2.175 0.715) 2.510 8.024 ( 1.558 1.205 0.007) 1.970 8.101 ( 1.156 1.105 0.320) 1.631 8.115 ( 1.335 -0.011 -0.660) 1.489 8.240 ( 0.746 -3.218 2.905) 4.399 8.289 ( 5.559 -5.823 -2.672) 8.482 ======================= Grid point 142 (65/72) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 3.010 5.226 -0.956) 6.107 0.900 ( 2.415 -0.837 0.224) 2.566 0.932 ( 6.382 9.066 -5.183) 12.239 1.007 ( 5.280 1.661 5.376) 7.716 1.021 ( 6.551 -1.448 0.165) 6.711 1.076 ( 1.436 1.302 0.939) 2.154 1.141 ( 4.718 6.022 4.713) 8.985 1.174 ( -3.268 -4.420 -3.601) 6.572 1.275 ( -0.692 1.836 -1.345) 2.378 1.340 ( 0.229 1.786 0.518) 1.874 1.482 ( 5.049 4.791 -5.541) 8.897 1.522 ( 4.395 3.357 -2.250) 5.971 1.618 ( 5.120 -5.179 -0.534) 7.302 1.790 ( -3.619 -1.420 -0.703) 3.950 1.834 ( -1.442 0.698 0.977) 1.876 2.075 ( 2.615 0.737 4.117) 4.933 2.169 ( -1.598 -1.774 -2.086) 3.171 2.223 ( 4.208 2.461 1.527) 5.108 2.310 ( -1.023 -1.141 0.685) 1.679 2.438 ( -2.421 -1.488 -0.472) 2.881 2.517 ( 1.858 -0.944 -0.738) 2.210 2.556 ( -0.500 -2.444 1.701) 3.020 2.620 ( -2.239 1.354 -0.018) 2.617 2.643 ( -0.391 -0.212 -0.988) 1.083 2.694 ( -0.205 1.204 1.372) 1.837 2.736 ( -1.050 5.525 2.006) 5.970 2.745 ( 1.346 2.964 0.254) 3.265 2.806 ( -1.183 -0.237 0.269) 1.236 2.851 ( -2.165 2.673 -0.909) 3.558 2.872 ( 2.583 -4.136 2.964) 5.706 2.950 ( -0.590 2.459 0.386) 2.558 3.002 ( 0.404 -0.367 -2.381) 2.442 3.025 ( 0.690 -1.353 -0.518) 1.605 3.106 ( 3.034 -1.922 0.408) 3.614 3.148 ( 0.572 -1.724 1.819) 2.571 3.314 ( 2.042 -0.684 1.577) 2.670 3.382 ( -2.228 1.124 -3.006) 3.906 3.465 ( -1.933 1.178 -2.421) 3.314 3.494 ( 1.146 1.889 0.978) 2.417 3.569 ( -2.090 -1.040 -2.617) 3.507 3.613 ( 0.981 2.458 2.040) 3.341 3.651 ( -0.077 0.316 2.480) 2.501 3.694 ( -0.556 -0.425 0.959) 1.187 3.726 ( -3.964 -1.199 -0.204) 4.146 3.904 ( -1.926 2.190 -0.826) 3.030 3.963 ( 0.551 -3.456 -2.643) 4.386 4.059 ( -0.037 5.075 -1.731) 5.362 4.112 ( 1.017 3.379 1.163) 3.715 4.198 ( 1.774 2.100 0.015) 2.749 4.255 ( 3.466 0.293 -0.673) 3.543 4.304 ( 1.250 -0.878 -0.330) 1.562 4.391 ( 0.263 -2.589 2.050) 3.313 4.441 ( -1.232 -1.641 0.921) 2.249 4.546 ( -0.161 0.214 -3.011) 3.023 4.576 ( 1.837 0.289 1.025) 2.123 4.636 ( 1.112 0.099 -1.159) 1.610 4.705 ( -0.094 0.597 0.587) 0.843 4.817 ( -1.489 -1.263 -1.089) 2.236 4.850 ( -1.471 -0.193 -2.713) 3.092 4.890 ( -1.055 -1.043 -0.283) 1.511 4.937 ( -1.670 -0.584 0.660) 1.888 5.023 ( -1.378 -0.025 2.787) 3.109 5.111 ( -2.648 -3.019 0.630) 4.064 5.176 ( 3.147 -0.752 -1.144) 3.432 5.231 ( -2.620 -4.083 0.260) 4.858 5.281 ( -1.038 -3.378 0.867) 3.638 5.446 ( 0.057 -1.369 -0.072) 1.372 5.467 ( -0.638 -2.343 -0.374) 2.457 5.517 ( -0.932 3.053 1.555) 3.551 5.611 ( -3.934 2.862 -0.287) 4.873 5.870 ( -1.948 2.092 -1.501) 3.229 6.070 ( -1.933 -3.232 0.869) 3.865 6.283 ( 0.832 0.853 -0.362) 1.245 6.391 ( -0.116 -2.468 -0.422) 2.507 7.080 ( -7.616 5.692 1.536) 9.632 7.102 ( -6.656 4.288 2.100) 8.191 7.557 ( 2.785 -0.120 -1.808) 3.323 7.709 ( 0.569 -5.867 -0.788) 5.947 8.019 ( 0.603 2.806 0.574) 2.927 8.047 ( 0.940 2.066 0.286) 2.288 8.125 ( 2.053 0.101 -1.628) 2.622 8.133 ( 1.630 1.122 0.073) 1.981 8.296 ( 2.213 -3.801 2.670) 5.145 8.354 ( 4.242 -6.375 -2.053) 7.928 ======================= Grid point 143 (66/72) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 2.070 7.450 -1.662) 7.909 0.893 ( -1.806 3.195 -2.467) 4.422 0.987 ( 4.429 7.291 -2.485) 8.885 1.060 ( 1.637 -2.041 0.302) 2.634 1.090 ( -0.688 2.103 -1.706) 2.794 1.140 ( 3.385 -0.945 1.492) 3.818 1.219 ( 4.429 5.728 4.483) 8.516 1.255 ( 3.124 -1.491 -0.861) 3.567 1.284 ( 4.539 -0.154 5.515) 7.145 1.352 ( 0.037 1.635 1.032) 1.934 1.474 ( 0.767 2.678 -4.725) 5.485 1.631 ( 5.551 6.685 5.795) 10.444 1.646 ( -1.850 -2.581 -5.152) 6.052 1.799 ( 4.714 -1.044 2.047) 5.244 1.820 ( 0.779 2.325 -1.476) 2.862 2.022 ( -6.049 3.426 -3.346) 7.715 2.207 ( 4.612 -1.839 -0.633) 5.005 2.270 ( 1.708 -0.457 -2.182) 2.809 2.297 ( -0.613 -0.673 1.371) 1.646 2.388 ( -3.418 -2.451 0.778) 4.277 2.527 ( -1.361 -0.813 0.673) 1.722 2.550 ( -1.172 -1.492 -2.192) 2.899 2.604 ( -0.465 -0.193 3.003) 3.045 2.622 ( -0.174 2.149 -0.794) 2.298 2.695 ( -1.738 0.500 1.510) 2.356 2.734 ( 0.430 2.762 1.947) 3.406 2.778 ( -2.736 1.242 -0.283) 3.018 2.793 ( 0.356 2.648 -0.153) 2.676 2.820 ( 2.600 0.903 -1.614) 3.191 2.911 ( -0.596 0.144 -2.531) 2.604 2.946 ( 0.947 -2.484 1.989) 3.320 3.002 ( -0.368 -2.007 -1.574) 2.577 3.041 ( 2.278 -1.150 2.505) 3.576 3.144 ( -0.379 -2.107 -0.434) 2.184 3.159 ( 2.364 -3.484 0.054) 4.211 3.295 ( -2.088 -1.063 -5.136) 5.645 3.366 ( 1.822 1.278 2.260) 3.172 3.431 ( -0.883 0.326 -0.536) 1.083 3.500 ( -0.968 0.407 0.120) 1.057 3.536 ( -2.428 1.186 2.282) 3.537 3.631 ( -1.551 -0.696 0.089) 1.702 3.671 ( -0.425 -1.200 0.458) 1.353 3.694 ( 0.465 1.289 3.020) 3.316 3.717 ( 1.751 0.653 2.239) 2.916 3.860 ( -2.139 2.233 -0.335) 3.111 3.919 ( -0.548 -1.530 -5.602) 5.833 4.037 ( -0.434 4.141 0.025) 4.164 4.128 ( -0.372 3.023 -1.449) 3.373 4.218 ( 1.278 3.002 -0.275) 3.274 4.280 ( 0.049 0.825 -1.201) 1.457 4.352 ( 3.231 0.133 1.401) 3.525 4.406 ( -0.228 -2.459 1.546) 2.914 4.440 ( 1.120 -1.099 0.042) 1.569 4.507 ( -1.093 0.957 -1.616) 2.173 4.640 ( 4.165 -1.531 -0.752) 4.500 4.666 ( 1.102 1.368 3.622) 4.025 4.722 ( -0.098 0.604 2.238) 2.320 4.799 ( -1.281 -0.172 0.345) 1.338 4.808 ( -0.355 -2.109 -1.714) 2.741 4.840 ( -1.850 0.355 -1.828) 2.625 4.954 ( 1.218 -1.324 0.977) 2.047 5.014 ( -1.965 0.922 1.091) 2.430 5.092 ( -0.964 -4.331 1.715) 4.757 5.160 ( -3.838 -3.518 -1.515) 5.422 5.218 ( 2.920 -2.922 -2.226) 4.693 5.260 ( -1.951 -4.249 1.287) 4.849 5.406 ( -1.837 -0.708 -2.272) 3.006 5.429 ( -2.077 -2.889 -1.605) 3.903 5.549 ( -0.101 1.755 1.850) 2.552 5.570 ( -0.218 1.881 0.440) 1.944 5.854 ( 0.274 2.303 2.214) 3.206 6.011 ( -4.120 -2.116 -1.705) 4.936 6.313 ( 1.444 0.544 1.663) 2.269 6.379 ( -0.367 -1.200 -1.345) 1.839 6.989 ( -3.707 4.812 0.366) 6.085 7.013 ( -4.932 3.927 0.880) 6.366 7.606 ( 3.325 -2.042 0.192) 3.906 7.699 ( -0.863 -5.439 -0.995) 5.597 8.032 ( 0.622 2.792 0.311) 2.877 8.055 ( -0.182 2.438 0.054) 2.445 8.149 ( 2.386 0.367 -1.701) 2.953 8.158 ( 0.744 0.899 0.639) 1.330 8.351 ( 1.490 -4.226 2.069) 4.935 8.386 ( 1.752 -5.417 -1.790) 5.968 ======================= Grid point 144 (67/72) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -1.361 6.848 -1.427) 7.126 0.835 ( 1.361 6.848 1.427) 7.126 1.030 ( 1.550 4.879 -1.277) 5.276 1.030 ( -1.550 4.879 1.277) 5.276 1.135 ( 0.248 -1.162 -0.646) 1.352 1.135 ( -0.248 -1.162 0.646) 1.352 1.289 ( 3.676 0.197 -7.132) 8.026 1.289 ( -3.676 0.197 7.132) 8.026 1.363 ( 2.243 3.153 -6.796) 7.820 1.363 ( -2.243 3.153 6.796) 7.820 1.514 ( -4.179 -0.501 -7.560) 8.653 1.514 ( 4.179 -0.501 7.560) 8.653 1.780 ( -2.185 4.084 -8.154) 9.377 1.780 ( 2.185 4.084 8.154) 9.377 1.896 ( -4.487 2.300 -2.307) 5.545 1.896 ( 4.487 2.300 2.307) 5.545 2.258 ( -1.173 -0.275 -1.031) 1.585 2.258 ( 1.173 -0.275 1.031) 1.585 2.334 ( -1.829 -3.617 -2.363) 4.692 2.334 ( 1.829 -3.617 2.363) 4.692 2.514 ( 1.781 -0.012 -3.351) 3.795 2.514 ( -1.781 -0.012 3.351) 3.795 2.617 ( -0.145 1.082 -2.293) 2.539 2.617 ( 0.145 1.082 2.293) 2.539 2.707 ( -1.823 -0.389 -1.792) 2.585 2.707 ( 1.823 -0.389 1.792) 2.585 2.777 ( -1.364 3.007 -2.255) 3.998 2.777 ( 1.364 3.007 2.255) 3.998 2.871 ( -2.422 0.292 -0.622) 2.517 2.871 ( 2.422 0.292 0.622) 2.517 2.974 ( 0.781 -2.276 -2.878) 3.752 2.974 ( -0.781 -2.276 2.878) 3.752 3.106 ( -0.964 -3.245 -3.302) 4.729 3.106 ( 0.964 -3.245 3.302) 4.729 3.219 ( -2.468 -1.144 -2.449) 3.661 3.219 ( 2.468 -1.144 2.449) 3.661 3.417 ( -1.483 0.566 -0.334) 1.622 3.417 ( 1.483 0.566 0.334) 1.622 3.495 ( 0.886 -0.053 -2.022) 2.208 3.495 ( -0.886 -0.053 2.022) 2.208 3.645 ( -1.242 -1.090 -2.448) 2.954 3.645 ( 1.242 -1.090 2.448) 2.954 3.735 ( 0.580 1.970 -3.242) 3.838 3.735 ( -0.580 1.970 3.242) 3.838 3.858 ( -0.401 0.462 -4.127) 4.172 3.858 ( 0.401 0.462 4.127) 4.172 4.073 ( -1.942 3.256 -3.703) 5.299 4.073 ( 1.942 3.256 3.703) 5.299 4.251 ( -1.060 2.622 -1.833) 3.371 4.251 ( 1.060 2.622 1.833) 3.371 4.402 ( -1.207 -1.549 -0.024) 1.963 4.402 ( 1.207 -1.549 0.024) 1.963 4.473 ( -0.784 0.248 -1.347) 1.578 4.473 ( 0.784 0.248 1.347) 1.578 4.691 ( 3.533 0.523 -3.163) 4.771 4.691 ( -3.533 0.523 3.163) 4.771 4.752 ( -1.513 0.004 -3.197) 3.537 4.752 ( 1.513 0.004 3.197) 3.537 4.813 ( 0.316 -1.273 -2.221) 2.579 4.813 ( -0.316 -1.273 2.221) 2.579 4.984 ( -1.676 0.492 -0.332) 1.778 4.984 ( 1.676 0.492 0.332) 1.778 5.104 ( -0.167 -4.526 -2.238) 5.052 5.104 ( 0.167 -4.526 2.238) 5.052 5.241 ( 2.282 -4.039 -2.431) 5.237 5.241 ( -2.282 -4.039 2.431) 5.237 5.386 ( -0.636 -2.557 -0.507) 2.683 5.386 ( 0.636 -2.557 0.507) 2.683 5.564 ( -0.520 2.133 -0.862) 2.359 5.564 ( 0.520 2.133 0.862) 2.359 5.918 ( -3.585 -0.038 -3.248) 4.838 5.918 ( 3.585 -0.038 3.248) 4.838 6.352 ( -0.966 -0.000 -2.048) 2.265 6.352 ( 0.966 -0.000 2.048) 2.265 6.967 ( -0.885 4.094 0.115) 4.191 6.967 ( 0.885 4.094 -0.115) 4.191 7.661 ( -2.402 -4.036 -1.004) 4.803 7.661 ( 2.402 -4.036 1.004) 4.803 8.046 ( 0.352 2.589 -1.247) 2.895 8.046 ( -0.352 2.589 1.247) 2.895 8.165 ( 1.166 0.631 -1.830) 2.260 8.165 ( -1.166 0.631 1.830) 2.260 8.383 ( 0.432 -4.618 -2.416) 5.230 8.383 ( -0.432 -4.618 2.416) 5.230 ======================= Grid point 149 (68/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 3.625 3.532 -6.408) 8.166 0.760 ( -3.625 3.532 6.408) 8.166 0.894 ( -0.351 -2.422 -1.618) 2.934 0.894 ( 0.351 -2.422 1.618) 2.934 1.024 ( -2.432 5.161 -1.129) 5.816 1.024 ( 2.432 5.161 1.129) 5.816 1.232 ( -1.243 2.172 -1.511) 2.923 1.232 ( 1.243 2.172 1.511) 2.923 1.292 ( -2.716 -4.013 -3.807) 6.162 1.292 ( 2.716 -4.013 3.807) 6.162 1.413 ( -1.139 -2.431 -2.519) 3.682 1.413 ( 1.139 -2.431 2.519) 3.682 1.705 ( -1.303 1.327 -2.837) 3.392 1.705 ( 1.303 1.327 2.837) 3.392 1.917 ( -0.234 0.015 -1.686) 1.702 1.917 ( 0.234 0.015 1.686) 1.702 2.161 ( -0.313 1.505 -0.365) 1.580 2.161 ( 0.313 1.505 0.365) 1.580 2.393 ( 0.195 2.001 -3.632) 4.151 2.393 ( -0.195 2.001 3.632) 4.151 2.480 ( 1.218 -3.311 -5.373) 6.428 2.480 ( -1.218 -3.311 5.373) 6.428 2.670 ( -1.427 1.887 -2.348) 3.333 2.670 ( 1.427 1.887 2.348) 3.333 2.708 ( -0.865 -1.409 -2.172) 2.730 2.708 ( 0.865 -1.409 2.172) 2.730 2.829 ( -1.718 3.060 -1.067) 3.668 2.829 ( 1.718 3.060 1.067) 3.668 2.889 ( -3.169 -2.231 -0.890) 3.976 2.889 ( 3.169 -2.231 0.890) 3.976 2.962 ( 0.170 -0.410 -0.540) 0.699 2.962 ( -0.170 -0.410 0.540) 0.699 3.019 ( -0.589 0.695 -0.266) 0.949 3.019 ( 0.589 0.695 0.266) 0.949 3.170 ( -1.647 1.624 -1.305) 2.656 3.170 ( 1.647 1.624 1.305) 2.656 3.534 ( -0.127 0.632 -1.369) 1.513 3.534 ( 0.127 0.632 1.369) 1.513 3.591 ( -0.392 0.865 -1.565) 1.831 3.591 ( 0.392 0.865 1.565) 1.831 3.656 ( -1.371 2.161 0.069) 2.560 3.656 ( 1.371 2.161 -0.069) 2.560 3.721 ( -1.765 -2.701 -0.669) 3.295 3.721 ( 1.765 -2.701 0.669) 3.295 3.941 ( -0.280 0.753 -0.646) 1.031 3.941 ( 0.280 0.753 0.646) 1.031 4.123 ( -0.352 0.051 -0.801) 0.877 4.123 ( 0.352 0.051 0.801) 0.877 4.192 ( 0.346 0.167 -1.268) 1.325 4.192 ( -0.346 0.167 1.268) 1.325 4.274 ( -0.208 -0.455 -2.041) 2.101 4.274 ( 0.208 -0.455 2.041) 2.101 4.483 ( 0.429 0.437 -0.587) 0.849 4.483 ( -0.429 0.437 0.587) 0.849 4.641 ( -0.106 -0.896 -1.931) 2.132 4.641 ( 0.106 -0.896 1.931) 2.132 4.791 ( -1.128 2.401 -3.241) 4.189 4.791 ( 1.128 2.401 3.241) 4.189 4.856 ( -0.663 -3.421 -2.844) 4.498 4.856 ( 0.663 -3.421 2.844) 4.498 5.073 ( 0.164 2.324 -1.385) 2.710 5.073 ( -0.164 2.324 1.385) 2.710 5.141 ( -1.796 -0.677 -4.111) 4.537 5.141 ( 1.796 -0.677 4.111) 4.537 5.176 ( -1.859 -3.133 -3.603) 5.124 5.176 ( 1.859 -3.133 3.603) 5.124 5.390 ( -0.669 -1.150 -0.351) 1.376 5.390 ( 0.669 -1.150 0.351) 1.376 5.707 ( -0.621 2.168 -1.575) 2.751 5.707 ( 0.621 2.168 1.575) 2.751 5.961 ( -0.655 -1.155 -2.100) 2.484 5.961 ( 0.655 -1.155 2.100) 2.484 6.337 ( -0.371 -0.469 -1.069) 1.225 6.337 ( 0.371 -0.469 1.069) 1.225 7.291 ( 0.060 2.110 -0.543) 2.180 7.291 ( -0.060 2.110 0.543) 2.180 7.620 ( -0.893 -0.916 -0.617) 1.420 7.620 ( 0.893 -0.916 0.617) 1.420 8.017 ( 0.204 0.868 -0.447) 0.998 8.017 ( -0.204 0.868 0.447) 0.998 8.110 ( 0.743 0.874 -1.504) 1.891 8.110 ( -0.743 0.874 1.504) 1.891 8.173 ( 1.236 -2.299 -2.725) 3.773 8.173 ( -1.236 -2.299 2.725) 3.773 ======================= Grid point 151 (69/72) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 3.340 3.339 0.716) 4.776 0.815 ( 6.991 1.664 -2.354) 7.562 0.888 ( 1.850 -0.447 -0.838) 2.080 0.942 ( 3.377 -2.556 1.196) 4.401 0.986 ( -1.331 3.568 1.105) 3.966 1.059 ( 0.135 -0.677 -0.028) 0.691 1.202 ( -1.818 0.481 -4.371) 4.758 1.220 ( 1.617 4.319 0.314) 4.622 1.266 ( 0.803 0.901 0.706) 1.399 1.358 ( 2.799 -3.410 -0.485) 4.438 1.422 ( 4.805 -0.050 -0.213) 4.810 1.463 ( 3.473 -4.179 -1.151) 5.554 1.686 ( 0.785 8.193 -2.232) 8.527 1.789 ( 2.986 -2.185 3.894) 5.371 1.867 ( -2.110 1.536 -3.698) 4.526 1.926 ( 1.391 -3.163 0.156) 3.458 2.179 ( 0.977 0.855 2.053) 2.429 2.187 ( 1.458 -0.198 1.119) 1.848 2.349 ( -2.164 4.188 1.405) 4.919 2.429 ( -0.855 -3.720 -2.893) 4.789 2.471 ( 2.900 -0.225 0.892) 3.043 2.504 ( -0.054 -1.984 1.215) 2.327 2.630 ( -1.365 1.770 0.154) 2.240 2.682 ( -0.355 -2.021 -0.340) 2.080 2.716 ( -0.282 2.019 2.161) 2.971 2.741 ( 0.713 -0.083 1.409) 1.581 2.788 ( -1.409 1.756 0.922) 2.433 2.826 ( -3.365 -2.044 0.542) 3.974 2.852 ( -1.012 3.663 1.570) 4.112 2.916 ( -2.028 -2.158 1.246) 3.213 2.970 ( 2.582 0.445 -0.219) 2.629 2.994 ( 2.737 -1.256 -0.760) 3.106 3.028 ( 1.028 2.611 0.942) 2.960 3.041 ( 1.549 0.303 0.079) 1.580 3.145 ( -0.001 3.427 -1.152) 3.615 3.221 ( 2.694 -2.633 0.369) 3.785 3.476 ( -2.525 1.107 -3.090) 4.141 3.497 ( -1.742 -0.875 -3.086) 3.650 3.583 ( -1.949 3.031 0.913) 3.717 3.622 ( -1.925 1.081 -0.643) 2.299 3.632 ( 0.102 -0.168 3.281) 3.287 3.654 ( -1.612 -0.605 0.734) 1.872 3.679 ( -0.349 1.386 -1.420) 2.015 3.735 ( -0.281 -2.879 -1.260) 3.155 3.938 ( -0.520 0.715 0.447) 0.990 3.949 ( -0.974 -0.409 0.708) 1.271 4.123 ( 2.436 1.318 -1.387) 3.098 4.133 ( 1.818 1.075 -1.390) 2.529 4.198 ( 1.257 0.658 -0.681) 1.573 4.225 ( 1.771 -1.184 1.751) 2.758 4.255 ( 0.601 1.096 -2.648) 2.929 4.299 ( 0.231 -2.534 2.473) 3.548 4.469 ( -1.630 1.084 0.922) 2.164 4.491 ( -0.002 -1.042 0.837) 1.336 4.629 ( 0.342 1.503 -0.400) 1.593 4.669 ( 0.730 -1.186 1.281) 1.892 4.727 ( -1.946 2.705 -3.735) 5.005 4.803 ( -1.100 -4.531 -3.587) 5.883 4.834 ( 0.969 1.549 1.602) 2.430 4.877 ( -0.186 -2.429 0.487) 2.484 5.027 ( -2.279 2.968 -3.354) 5.025 5.055 ( -2.556 1.879 -0.049) 3.173 5.102 ( -1.520 -2.485 -1.039) 3.093 5.120 ( 0.532 -3.646 -1.874) 4.134 5.206 ( -0.172 -0.069 3.069) 3.075 5.219 ( 0.224 -1.597 1.860) 2.462 5.393 ( 0.257 -0.734 2.706) 2.816 5.405 ( 0.161 -1.667 1.075) 1.990 5.657 ( -2.807 3.630 -1.905) 4.968 5.697 ( -2.532 -0.165 -0.370) 2.564 5.940 ( -0.400 1.629 -0.946) 1.926 5.992 ( 0.330 -3.307 1.783) 3.772 6.314 ( -0.523 1.023 -1.383) 1.798 6.343 ( -0.072 -1.868 0.036) 1.870 7.255 ( -5.265 2.317 2.272) 6.185 7.262 ( -5.638 1.761 2.716) 6.501 7.581 ( -1.151 1.172 -1.824) 2.455 7.620 ( -0.230 -2.891 -0.668) 2.976 8.043 ( 2.788 2.022 0.569) 3.490 8.052 ( 2.902 1.178 -0.437) 3.163 8.108 ( 0.415 -0.077 -0.373) 0.563 8.120 ( 0.526 0.039 0.496) 0.724 8.181 ( 2.313 -1.524 -0.679) 2.852 8.204 ( 2.684 -2.955 0.024) 3.992 ======================= Grid point 152 (70/72) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 3.828 2.900 -1.147) 4.937 0.888 ( 4.173 -0.512 -1.740) 4.550 0.983 ( 8.260 0.868 -0.722) 8.337 0.996 ( 2.050 0.402 1.585) 2.622 1.032 ( 4.165 -1.055 1.971) 4.727 1.062 ( 1.306 -4.528 2.289) 5.239 1.170 ( -0.186 5.685 0.829) 5.748 1.254 ( -0.169 -1.899 1.206) 2.256 1.302 ( 4.633 6.352 -2.018) 8.117 1.390 ( 2.837 -0.318 -2.021) 3.498 1.506 ( 3.997 -0.364 -4.475) 6.011 1.528 ( 6.004 -2.878 -0.106) 6.660 1.694 ( 2.058 9.479 0.963) 9.748 1.792 ( -2.508 0.940 0.369) 2.703 1.845 ( 1.759 1.507 -1.060) 2.547 1.985 ( 3.483 -8.383 0.879) 9.120 2.196 ( -1.061 3.515 -1.333) 3.906 2.233 ( 3.241 0.375 1.223) 3.485 2.332 ( -1.516 -0.034 -0.164) 1.525 2.369 ( -2.013 -4.098 -2.111) 5.030 2.513 ( 0.172 0.463 0.953) 1.074 2.516 ( 0.706 -0.467 1.175) 1.448 2.629 ( -0.623 1.224 1.695) 2.182 2.679 ( -3.586 -1.290 1.825) 4.225 2.692 ( 1.652 1.991 -1.366) 2.925 2.767 ( 0.527 -3.934 -0.010) 3.969 2.790 ( -0.022 1.475 -0.396) 1.527 2.804 ( -0.588 0.480 1.732) 1.891 2.844 ( -0.661 2.721 1.634) 3.242 2.884 ( -1.987 -0.130 0.895) 2.183 2.989 ( -0.409 0.697 -2.759) 2.875 3.008 ( -0.260 -0.058 -0.919) 0.957 3.053 ( -0.126 2.416 1.924) 3.091 3.073 ( 1.805 -0.569 0.808) 2.058 3.136 ( 0.077 2.633 -1.248) 2.915 3.252 ( 1.232 -5.553 -1.336) 5.843 3.418 ( -1.656 1.994 -1.108) 2.819 3.450 ( -1.348 -1.220 -0.860) 2.011 3.560 ( -2.068 2.716 0.814) 3.509 3.573 ( -1.021 1.015 0.209) 1.455 3.641 ( -1.845 -0.154 0.228) 1.866 3.655 ( -2.113 -0.730 0.950) 2.429 3.679 ( 0.982 0.567 3.112) 3.312 3.705 ( -1.258 -1.203 0.466) 1.802 3.921 ( -0.493 -0.646 -2.257) 2.399 3.922 ( -1.057 -0.124 -1.567) 1.894 4.145 ( 0.109 3.000 -1.189) 3.229 4.168 ( 1.301 1.456 0.636) 2.054 4.211 ( 2.740 0.620 -2.326) 3.647 4.249 ( 3.178 -1.807 -3.184) 4.848 4.289 ( 2.263 0.736 2.941) 3.783 4.327 ( 0.407 -2.813 2.464) 3.762 4.450 ( -1.109 1.861 0.795) 2.308 4.502 ( 0.490 -3.084 0.449) 3.155 4.632 ( 0.245 3.668 -1.260) 3.886 4.678 ( 0.289 3.852 0.481) 3.893 4.694 ( -0.090 -2.004 0.801) 2.160 4.764 ( -0.173 -4.036 -1.311) 4.247 4.860 ( -1.100 0.417 -1.349) 1.789 4.865 ( 0.427 -0.719 1.028) 1.325 4.960 ( -2.109 2.396 -1.963) 3.747 5.012 ( -1.283 -2.062 -0.974) 2.617 5.066 ( -2.114 0.591 0.391) 2.230 5.126 ( 0.342 -4.202 -0.368) 4.232 5.190 ( -2.014 0.429 0.325) 2.085 5.221 ( -2.083 -2.513 0.716) 3.341 5.415 ( -0.226 -0.659 0.888) 1.128 5.426 ( -0.171 -1.526 1.066) 1.869 5.594 ( -2.471 3.346 -0.666) 4.213 5.633 ( -3.309 -0.487 -1.169) 3.543 5.920 ( -1.406 3.093 -0.126) 3.400 5.993 ( -1.447 -4.110 0.398) 4.375 6.307 ( 0.592 1.545 0.010) 1.654 6.344 ( 0.339 -2.172 0.090) 2.201 7.160 ( -7.798 2.237 1.944) 8.342 7.166 ( -7.245 1.694 1.786) 7.652 7.568 ( 0.884 1.334 -0.922) 1.847 7.615 ( 0.244 -3.530 -0.526) 3.578 8.080 ( 1.718 2.819 -1.611) 3.673 8.096 ( 0.862 2.834 1.637) 3.384 8.117 ( 2.682 -0.955 -1.979) 3.467 8.145 ( 1.298 -0.597 1.380) 1.986 8.227 ( 3.037 -1.855 0.041) 3.559 8.254 ( 3.044 -3.617 -0.276) 4.736 ======================= Grid point 153 (71/72) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 3.090 3.479 -0.617) 4.693 0.935 ( 2.180 0.983 -0.483) 2.440 1.041 ( 2.217 1.858 2.537) 3.848 1.097 ( 1.211 -2.172 1.935) 3.151 1.112 ( 5.178 1.785 -0.874) 5.546 1.141 ( 3.774 -0.606 -0.144) 3.825 1.213 ( 3.213 1.978 4.212) 5.655 1.267 ( 1.929 -1.899 1.330) 3.016 1.341 ( 1.387 5.908 -2.507) 6.566 1.412 ( 0.793 2.221 0.340) 2.382 1.516 ( 3.317 0.859 -4.878) 5.961 1.561 ( -0.182 -4.518 -4.187) 6.163 1.759 ( 1.773 4.758 4.102) 6.527 1.819 ( 1.575 -0.620 2.548) 3.059 1.872 ( 4.167 6.751 -0.036) 7.933 2.051 ( 3.602 -8.863 -0.546) 9.583 2.126 ( -3.657 5.257 -1.529) 6.584 2.257 ( -4.153 -6.333 -0.917) 7.629 2.299 ( 3.275 3.074 -1.674) 4.794 2.355 ( 0.226 -0.511 -1.791) 1.876 2.509 ( -1.124 -0.271 0.363) 1.212 2.523 ( -2.409 -1.077 2.676) 3.759 2.625 ( -0.129 1.727 0.988) 1.993 2.651 ( 0.207 0.027 -0.381) 0.434 2.716 ( 0.589 1.640 -0.818) 1.925 2.761 ( 0.412 -1.406 -0.620) 1.590 2.778 ( -1.311 1.159 0.679) 1.877 2.814 ( 0.140 -1.324 -1.769) 2.214 2.851 ( 0.819 1.287 1.237) 1.964 2.887 ( -0.445 -1.996 1.463) 2.514 2.932 ( -0.955 2.706 -2.726) 3.958 2.970 ( -2.089 -1.356 -1.815) 3.082 3.056 ( -0.791 0.715 1.608) 1.929 3.096 ( -0.516 -2.825 -0.149) 2.875 3.141 ( 1.822 3.117 0.326) 3.625 3.234 ( -0.880 -4.569 -2.799) 5.429 3.408 ( -0.020 2.037 1.776) 2.703 3.433 ( -0.721 -0.491 0.763) 1.159 3.526 ( -2.145 2.487 -0.330) 3.301 3.572 ( -4.113 0.771 -0.664) 4.237 3.592 ( 0.505 -1.356 0.735) 1.623 3.627 ( -0.887 -2.455 0.795) 2.729 3.729 ( 1.084 1.508 4.175) 4.569 3.740 ( 1.730 0.623 3.214) 3.703 3.884 ( -0.984 0.166 -2.833) 3.003 3.890 ( -0.693 -0.669 -2.296) 2.490 4.117 ( -0.613 3.176 -1.619) 3.618 4.158 ( -1.054 -0.595 -2.052) 2.383 4.251 ( 2.685 1.423 -0.639) 3.106 4.278 ( 1.569 -0.883 -0.847) 1.989 4.348 ( 1.890 -0.216 1.649) 2.518 4.359 ( 0.679 -1.402 2.135) 2.643 4.460 ( 1.044 2.100 0.962) 2.534 4.505 ( -0.141 -1.786 -0.973) 2.038 4.647 ( 2.845 2.435 0.092) 3.746 4.700 ( 1.371 -1.016 0.885) 1.922 4.717 ( -0.060 1.496 3.694) 3.986 4.767 ( 0.194 -2.125 0.924) 2.325 4.816 ( -2.321 1.839 -1.373) 3.264 4.847 ( -1.349 -0.634 -2.352) 2.784 4.948 ( 1.074 1.030 0.544) 1.584 4.996 ( -0.142 -4.021 -0.697) 4.083 5.044 ( -0.958 2.464 1.259) 2.928 5.108 ( -2.499 -2.707 0.033) 3.684 5.164 ( -0.376 -1.705 -1.132) 2.081 5.182 ( -2.459 -2.956 0.577) 3.888 5.384 ( -2.643 -0.819 -2.569) 3.776 5.387 ( -2.343 -1.127 -2.286) 3.462 5.583 ( -0.004 1.392 1.561) 2.092 5.595 ( -0.528 0.338 0.354) 0.720 5.898 ( -1.048 2.434 0.719) 2.746 5.955 ( -2.493 -3.138 -0.857) 4.099 6.330 ( 1.135 1.130 1.113) 1.950 6.355 ( 0.471 -1.286 0.161) 1.378 7.063 ( -4.603 2.221 0.680) 5.156 7.071 ( -4.848 1.438 0.696) 5.104 7.582 ( 1.120 0.015 -0.008) 1.120 7.613 ( -0.129 -3.050 -0.508) 3.095 8.089 ( 1.139 2.364 -1.240) 2.902 8.101 ( -0.301 1.441 0.228) 1.489 8.158 ( 2.601 1.010 -0.738) 2.886 8.175 ( 0.636 0.476 1.078) 1.339 8.273 ( 1.953 -2.649 0.375) 3.312 8.291 ( 1.518 -3.777 -0.388) 4.089 ======================= Grid point 154 (72/72) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.064 3.029 -0.377) 3.053 0.943 ( 0.064 3.029 0.377) 3.053 1.095 ( -1.101 0.467 -0.865) 1.476 1.095 ( 1.101 0.467 0.865) 1.476 1.156 ( 0.639 3.160 -2.223) 3.916 1.156 ( -0.639 3.160 2.223) 3.916 1.295 ( -1.712 1.738 -1.524) 2.876 1.295 ( 1.712 1.738 1.524) 2.876 1.379 ( -4.069 -2.854 -4.485) 6.694 1.379 ( 4.069 -2.854 4.485) 6.694 1.521 ( 1.293 1.433 -3.400) 3.910 1.521 ( -1.293 1.433 3.400) 3.910 1.816 ( -0.559 0.208 -3.055) 3.113 1.816 ( 0.559 0.208 3.055) 3.113 1.987 ( -5.225 6.225 -3.414) 8.815 1.987 ( 5.225 6.225 3.414) 8.815 2.169 ( -4.445 -7.508 -1.729) 8.895 2.169 ( 4.445 -7.508 1.729) 8.895 2.331 ( 0.409 2.306 -1.663) 2.872 2.331 ( -0.409 2.306 1.663) 2.872 2.502 ( 1.070 -1.085 -1.312) 2.011 2.502 ( -1.070 -1.085 1.312) 2.011 2.651 ( -0.479 2.089 -0.983) 2.358 2.651 ( 0.479 2.089 0.983) 2.358 2.717 ( -1.961 0.406 -1.191) 2.330 2.717 ( 1.961 0.406 1.191) 2.330 2.803 ( -0.369 0.152 -1.088) 1.159 2.803 ( 0.369 0.152 1.088) 1.159 2.870 ( -0.128 -1.084 -1.013) 1.489 2.870 ( 0.128 -1.084 1.013) 1.489 2.933 ( 0.000 -0.843 -1.619) 1.825 2.933 ( -0.000 -0.843 1.619) 1.825 3.071 ( -0.344 -0.029 -1.935) 1.966 3.071 ( 0.344 -0.029 1.935) 1.966 3.186 ( -1.886 -1.797 -1.898) 3.223 3.186 ( 1.886 -1.797 1.898) 3.223 3.433 ( -0.421 0.736 -0.618) 1.050 3.433 ( 0.421 0.736 0.618) 1.050 3.503 ( -0.591 0.481 -1.431) 1.621 3.503 ( 0.591 0.481 1.431) 1.621 3.619 ( -0.575 -1.020 -1.137) 1.632 3.619 ( 0.575 -1.020 1.137) 1.632 3.775 ( 0.514 1.471 -2.181) 2.680 3.775 ( -0.514 1.471 2.181) 2.680 3.859 ( -0.154 -0.268 -0.943) 0.992 3.859 ( 0.154 -0.268 0.943) 0.992 4.119 ( -0.882 1.144 -1.498) 2.081 4.119 ( 0.882 1.144 1.498) 2.081 4.279 ( -0.645 0.516 -0.399) 0.917 4.279 ( 0.645 0.516 0.399) 0.917 4.376 ( 0.377 -0.755 -0.529) 0.996 4.376 ( -0.377 -0.755 0.529) 0.996 4.485 ( -0.365 0.574 -1.360) 1.520 4.485 ( 0.365 0.574 1.360) 1.520 4.704 ( -2.470 0.157 0.334) 2.498 4.704 ( 2.470 0.157 -0.334) 2.498 4.757 ( -0.690 1.246 -2.990) 3.312 4.757 ( 0.690 1.246 2.990) 3.312 4.799 ( -0.221 -0.932 -3.416) 3.548 4.799 ( 0.221 -0.932 3.416) 3.548 4.978 ( -1.028 -0.820 -0.877) 1.581 4.978 ( 1.028 -0.820 0.877) 1.581 5.063 ( -1.904 0.654 -0.329) 2.040 5.063 ( 1.904 0.654 0.329) 2.040 5.159 ( 1.088 -3.633 -1.405) 4.045 5.159 ( -1.088 -3.633 1.405) 4.045 5.343 ( -0.078 -1.317 -0.294) 1.352 5.343 ( 0.078 -1.317 0.294) 1.352 5.596 ( -0.103 0.847 -0.398) 0.942 5.596 ( 0.103 0.847 0.398) 0.942 5.909 ( -1.240 -0.458 -1.345) 1.886 5.909 ( 1.240 -0.458 1.345) 1.886 6.354 ( -0.418 0.091 -0.710) 0.829 6.354 ( 0.418 0.091 0.710) 0.829 7.029 ( -0.274 1.753 -0.023) 1.774 7.029 ( 0.274 1.753 0.023) 1.774 7.600 ( -0.735 -1.716 -0.433) 1.916 7.600 ( 0.735 -1.716 0.433) 1.916 8.096 ( 0.787 1.784 -1.165) 2.271 8.096 ( -0.787 1.784 1.165) 2.271 8.181 ( 0.910 1.083 -1.106) 1.795 8.181 ( -0.910 1.083 1.106) 1.795 8.297 ( 0.435 -3.368 -1.315) 3.642 8.297 ( -0.435 -3.368 1.315) 3.642 =================== 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 3/18816 10.0 15.693 11.506 14.362 0.000 1.335 0.000 3/18816 20.0 5.266 4.640 5.222 0.000 0.527 0.000 3/18816 30.0 2.817 2.626 2.912 0.000 0.272 0.000 3/18816 40.0 1.829 1.752 1.932 0.000 0.172 0.000 3/18816 50.0 1.336 1.298 1.428 0.000 0.124 0.000 3/18816 60.0 1.052 1.031 1.132 0.000 0.097 0.000 3/18816 70.0 0.871 0.857 0.940 0.000 0.080 0.000 3/18816 80.0 0.747 0.737 0.806 0.000 0.067 0.000 3/18816 90.0 0.656 0.648 0.708 0.000 0.058 0.000 3/18816 100.0 0.586 0.580 0.632 0.000 0.052 0.000 3/18816 110.0 0.531 0.526 0.571 0.000 0.046 0.000 3/18816 120.0 0.486 0.481 0.522 0.000 0.042 0.000 3/18816 130.0 0.449 0.444 0.481 0.000 0.038 0.000 3/18816 140.0 0.417 0.413 0.446 0.000 0.035 0.000 3/18816 150.0 0.389 0.386 0.416 0.000 0.032 0.000 3/18816 160.0 0.366 0.362 0.389 0.000 0.030 0.000 3/18816 170.0 0.345 0.341 0.367 0.000 0.028 0.000 3/18816 180.0 0.326 0.322 0.346 0.000 0.026 0.000 3/18816 190.0 0.309 0.306 0.328 0.000 0.024 0.000 3/18816 200.0 0.294 0.291 0.312 0.000 0.023 0.000 3/18816 210.0 0.280 0.277 0.297 0.000 0.022 0.000 3/18816 220.0 0.268 0.265 0.283 0.000 0.021 0.000 3/18816 230.0 0.257 0.254 0.271 0.000 0.020 0.000 3/18816 240.0 0.246 0.244 0.260 0.000 0.019 0.000 3/18816 250.0 0.237 0.234 0.250 0.000 0.018 0.000 3/18816 260.0 0.228 0.225 0.240 0.000 0.017 0.000 3/18816 270.0 0.220 0.217 0.231 0.000 0.017 0.000 3/18816 280.0 0.212 0.209 0.223 0.000 0.016 0.000 3/18816 290.0 0.205 0.202 0.216 0.000 0.015 0.000 3/18816 300.0 0.198 0.196 0.208 0.000 0.015 0.000 3/18816 310.0 0.192 0.190 0.202 0.000 0.014 0.000 3/18816 320.0 0.186 0.184 0.195 0.000 0.014 0.000 3/18816 330.0 0.180 0.178 0.190 0.000 0.013 0.000 3/18816 340.0 0.175 0.173 0.184 0.000 0.013 0.000 3/18816 350.0 0.170 0.168 0.179 0.000 0.013 0.000 3/18816 360.0 0.166 0.164 0.174 0.000 0.012 0.000 3/18816 370.0 0.161 0.159 0.169 0.000 0.012 0.000 3/18816 380.0 0.157 0.155 0.165 0.000 0.011 0.000 3/18816 390.0 0.153 0.151 0.161 0.000 0.011 0.000 3/18816 400.0 0.149 0.148 0.157 0.000 0.011 0.000 3/18816 410.0 0.146 0.144 0.153 0.000 0.011 0.000 3/18816 420.0 0.142 0.141 0.149 0.000 0.010 0.000 3/18816 430.0 0.139 0.137 0.146 0.000 0.010 0.000 3/18816 440.0 0.136 0.134 0.142 0.000 0.010 0.000 3/18816 450.0 0.133 0.131 0.139 0.000 0.010 0.000 3/18816 460.0 0.130 0.129 0.136 0.000 0.009 0.000 3/18816 470.0 0.127 0.126 0.133 0.000 0.009 0.000 3/18816 480.0 0.125 0.123 0.131 0.000 0.009 0.000 3/18816 490.0 0.122 0.121 0.128 0.000 0.009 0.000 3/18816 500.0 0.120 0.118 0.125 0.000 0.009 0.000 3/18816 510.0 0.118 0.116 0.123 0.000 0.008 0.000 3/18816 520.0 0.115 0.114 0.121 0.000 0.008 0.000 3/18816 530.0 0.113 0.112 0.118 0.000 0.008 0.000 3/18816 540.0 0.111 0.110 0.116 0.000 0.008 0.000 3/18816 550.0 0.109 0.108 0.114 0.000 0.008 0.000 3/18816 560.0 0.107 0.106 0.112 0.000 0.008 0.000 3/18816 570.0 0.105 0.104 0.110 0.000 0.008 0.000 3/18816 580.0 0.103 0.102 0.108 0.000 0.007 0.000 3/18816 590.0 0.102 0.100 0.106 0.000 0.007 0.000 3/18816 600.0 0.100 0.099 0.105 0.000 0.007 0.000 3/18816 610.0 0.098 0.097 0.103 0.000 0.007 0.000 3/18816 620.0 0.097 0.096 0.101 0.000 0.007 0.000 3/18816 630.0 0.095 0.094 0.100 0.000 0.007 0.000 3/18816 640.0 0.094 0.093 0.098 0.000 0.007 0.000 3/18816 650.0 0.092 0.091 0.097 0.000 0.007 0.000 3/18816 660.0 0.091 0.090 0.095 0.000 0.006 0.000 3/18816 670.0 0.090 0.089 0.094 0.000 0.006 0.000 3/18816 680.0 0.088 0.087 0.092 0.000 0.006 0.000 3/18816 690.0 0.087 0.086 0.091 0.000 0.006 0.000 3/18816 700.0 0.086 0.085 0.090 0.000 0.006 0.000 3/18816 710.0 0.085 0.084 0.089 0.000 0.006 0.000 3/18816 720.0 0.084 0.082 0.087 0.000 0.006 0.000 3/18816 730.0 0.082 0.081 0.086 0.000 0.006 0.000 3/18816 740.0 0.081 0.080 0.085 0.000 0.006 0.000 3/18816 750.0 0.080 0.079 0.084 0.000 0.006 0.000 3/18816 760.0 0.079 0.078 0.083 0.000 0.006 0.000 3/18816 770.0 0.078 0.077 0.082 0.000 0.006 0.000 3/18816 780.0 0.077 0.076 0.081 0.000 0.005 0.000 3/18816 790.0 0.076 0.075 0.080 0.000 0.005 0.000 3/18816 800.0 0.075 0.074 0.079 0.000 0.005 0.000 3/18816 810.0 0.074 0.073 0.078 0.000 0.005 0.000 3/18816 820.0 0.073 0.072 0.077 0.000 0.005 0.000 3/18816 830.0 0.073 0.072 0.076 0.000 0.005 0.000 3/18816 840.0 0.072 0.071 0.075 0.000 0.005 0.000 3/18816 850.0 0.071 0.070 0.074 0.000 0.005 0.000 3/18816 860.0 0.070 0.069 0.073 0.000 0.005 0.000 3/18816 870.0 0.069 0.068 0.072 0.000 0.005 0.000 3/18816 880.0 0.068 0.068 0.071 0.000 0.005 0.000 3/18816 890.0 0.068 0.067 0.071 0.000 0.005 0.000 3/18816 900.0 0.067 0.066 0.070 0.000 0.005 0.000 3/18816 910.0 0.066 0.065 0.069 0.000 0.005 0.000 3/18816 920.0 0.065 0.065 0.068 0.000 0.005 0.000 3/18816 930.0 0.065 0.064 0.068 0.000 0.005 0.000 3/18816 940.0 0.064 0.063 0.067 0.000 0.005 0.000 3/18816 950.0 0.063 0.063 0.066 0.000 0.004 0.000 3/18816 960.0 0.063 0.062 0.066 0.000 0.004 0.000 3/18816 970.0 0.062 0.061 0.065 0.000 0.004 0.000 3/18816 980.0 0.061 0.061 0.064 0.000 0.004 0.000 3/18816 990.0 0.061 0.060 0.064 0.000 0.004 0.000 3/18816 1000.0 0.060 0.059 0.063 0.000 0.004 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m874.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:06:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|