----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:36:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.315084990089620 0.000000000000000 0.000000000000000 b 0.000000000000000 10.487670590000000 0.000000000000000 c -3.441135043223228 0.000000000000000 10.727817806358061 Atomic positions (fractional): *1 Y 0.59237155828976 0.36967918987753 0.44171612735354 88.906 2 Y 0.59237155828976 0.13032081012247 0.94171612735354 88.906 *3 Y 0.72619460392407 0.60067160502264 0.20156464069728 88.906 *4 Y 0.76312248700075 0.11971214245433 0.27842659869679 88.906 5 Y 0.72619460392407 0.89932839497736 0.70156464069728 88.906 *6 Y 0.91646725490937 0.88581282099286 0.09173126504787 88.906 7 Y 0.76312248700075 0.38028785754567 0.77842659869679 88.906 8 Y 0.08353274509063 0.38581282099287 0.40826873495213 88.906 9 Y 0.91646725490937 0.61418717900714 0.59173126504787 88.906 10 Y 0.23687751299925 0.61971214245433 0.22157340130321 88.906 11 Y 0.08353274509063 0.11418717900714 0.90826873495213 88.906 12 Y 0.27380539607593 0.10067160502264 0.29843535930271 88.906 13 Y 0.23687751299925 0.88028785754567 0.72157340130321 88.906 14 Y 0.27380539607593 0.39932839497736 0.79843535930272 88.906 15 Y 0.40762844171024 0.86967918987753 0.05828387264646 88.906 16 Y 0.40762844171024 0.63032081012247 0.55828387264646 88.906 *17 Ga 0.55568506537924 0.83327422538137 0.38016549330999 69.723 18 Ga 0.55568506537924 0.66672577461863 0.88016549330998 69.723 *19 Ga 0.91536467856498 0.32794924956661 0.10749419181107 69.723 20 Ga 0.08463532143502 0.82794924956661 0.39250580818893 69.723 21 Ga 0.91536467856498 0.17205075043339 0.60749419181107 69.723 22 Ga 0.08463532143502 0.67205075043339 0.89250580818893 69.723 23 Ga 0.44431493462076 0.33327422538137 0.11983450669001 69.723 24 Ga 0.44431493462076 0.16672577461863 0.61983450669002 69.723 *25 O 0.56699894629282 0.00385905071378 0.35894210543920 15.999 *26 O 0.52146107533164 0.74715586883389 0.23116460418046 15.999 *27 O 0.66516105075537 0.99899700387864 0.10817933240219 15.999 *28 O 0.67775102392308 0.26698047689282 0.11177374969145 15.999 *29 O 0.81195411421702 0.50623391249064 0.39541086397520 15.999 30 O 0.56699894629282 0.49614094928622 0.85894210543920 15.999 31 O 0.52146107533164 0.75284413116611 0.73116460418046 15.999 *32 O 0.88178261858370 0.23967708470499 0.45292068007886 15.999 *33 O 0.68842206342049 0.73526983241073 0.02980126505766 15.999 *34 O 0.96506549518728 0.73484840768467 0.25222694315652 15.999 35 O 0.66516105075537 0.50100299612136 0.60817933240219 15.999 36 O 0.67775102392308 0.23301952310718 0.61177374969145 15.999 *37 O 0.02392979774451 0.98604377959230 0.32487599465437 15.999 38 O 0.81195411421702 0.99376608750936 0.89541086397520 15.999 39 O 0.97607020225550 0.48604377959230 0.17512400534563 15.999 40 O 0.88178261858370 0.26032291529501 0.95292068007886 15.999 41 O 0.03493450481272 0.23484840768467 0.24777305684348 15.999 42 O 0.68842206342049 0.76473016758927 0.52980126505766 15.999 43 O 0.31157793657950 0.23526983241073 0.47019873494234 15.999 44 O 0.96506549518728 0.76515159231533 0.75222694315652 15.999 45 O 0.11821738141630 0.73967708470499 0.04707931992114 15.999 46 O 0.02392979774451 0.51395622040770 0.82487599465437 15.999 47 O 0.18804588578298 0.00623391249064 0.10458913602480 15.999 48 O 0.97607020225550 0.01395622040770 0.67512400534563 15.999 49 O 0.32224897607692 0.76698047689282 0.38822625030855 15.999 50 O 0.33483894924463 0.49899700387864 0.39182066759781 15.999 51 O 0.03493450481272 0.26515159231533 0.74777305684348 15.999 52 O 0.31157793657950 0.26473016758927 0.97019873494234 15.999 53 O 0.11821738141630 0.76032291529501 0.54707931992114 15.999 54 O 0.47853892466836 0.24715586883390 0.26883539581955 15.999 55 O 0.43300105370718 0.50385905071378 0.14105789456080 15.999 56 O 0.18804588578298 0.49376608750936 0.60458913602480 15.999 57 O 0.32224897607692 0.73301952310718 0.88822625030855 15.999 58 O 0.33483894924463 0.00100299612136 0.89182066759781 15.999 59 O 0.47853892466836 0.25284413116610 0.76883539581954 15.999 60 O 0.43300105370718 0.99614094928622 0.64105789456080 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.315084990089620 0.000000000000000 0.000000000000000 b 0.000000000000000 10.487670590000000 0.000000000000000 c -3.441135043223228 0.000000000000000 10.727817806358061 Atomic positions (fractional): *1 Y 0.59237155828976 0.36967918987753 0.44171612735354 88.906 > 1 2 Y 0.59237155828976 0.13032081012247 0.94171612735354 88.906 > 2 *3 Y 0.72619460392407 0.60067160502264 0.20156464069728 88.906 > 3 *4 Y 0.76312248700075 0.11971214245433 0.27842659869679 88.906 > 4 5 Y 0.72619460392407 0.89932839497736 0.70156464069728 88.906 > 5 *6 Y 0.91646725490937 0.88581282099286 0.09173126504787 88.906 > 6 7 Y 0.76312248700075 0.38028785754567 0.77842659869679 88.906 > 7 8 Y 0.08353274509063 0.38581282099287 0.40826873495213 88.906 > 8 9 Y 0.91646725490937 0.61418717900714 0.59173126504787 88.906 > 9 10 Y 0.23687751299925 0.61971214245433 0.22157340130321 88.906 > 10 11 Y 0.08353274509063 0.11418717900714 0.90826873495213 88.906 > 11 12 Y 0.27380539607593 0.10067160502264 0.29843535930271 88.906 > 12 13 Y 0.23687751299925 0.88028785754567 0.72157340130321 88.906 > 13 14 Y 0.27380539607593 0.39932839497736 0.79843535930272 88.906 > 14 15 Y 0.40762844171024 0.86967918987753 0.05828387264646 88.906 > 15 16 Y 0.40762844171024 0.63032081012247 0.55828387264646 88.906 > 16 *17 Ga 0.55568506537924 0.83327422538137 0.38016549330999 69.723 > 17 18 Ga 0.55568506537924 0.66672577461863 0.88016549330998 69.723 > 18 *19 Ga 0.91536467856498 0.32794924956661 0.10749419181107 69.723 > 19 20 Ga 0.08463532143502 0.82794924956661 0.39250580818893 69.723 > 20 21 Ga 0.91536467856498 0.17205075043339 0.60749419181107 69.723 > 21 22 Ga 0.08463532143502 0.67205075043339 0.89250580818893 69.723 > 22 23 Ga 0.44431493462076 0.33327422538137 0.11983450669001 69.723 > 23 24 Ga 0.44431493462076 0.16672577461863 0.61983450669002 69.723 > 24 *25 O 0.56699894629282 0.00385905071378 0.35894210543920 15.999 > 25 *26 O 0.52146107533164 0.74715586883389 0.23116460418046 15.999 > 26 *27 O 0.66516105075537 0.99899700387864 0.10817933240219 15.999 > 27 *28 O 0.67775102392308 0.26698047689282 0.11177374969145 15.999 > 28 *29 O 0.81195411421702 0.50623391249064 0.39541086397520 15.999 > 29 30 O 0.56699894629282 0.49614094928622 0.85894210543920 15.999 > 30 31 O 0.52146107533164 0.75284413116611 0.73116460418046 15.999 > 31 *32 O 0.88178261858370 0.23967708470499 0.45292068007886 15.999 > 32 *33 O 0.68842206342049 0.73526983241073 0.02980126505766 15.999 > 33 *34 O 0.96506549518728 0.73484840768467 0.25222694315652 15.999 > 34 35 O 0.66516105075537 0.50100299612136 0.60817933240219 15.999 > 35 36 O 0.67775102392308 0.23301952310718 0.61177374969145 15.999 > 36 *37 O 0.02392979774451 0.98604377959230 0.32487599465437 15.999 > 37 38 O 0.81195411421702 0.99376608750936 0.89541086397520 15.999 > 38 39 O 0.97607020225550 0.48604377959230 0.17512400534563 15.999 > 39 40 O 0.88178261858370 0.26032291529501 0.95292068007886 15.999 > 40 41 O 0.03493450481272 0.23484840768467 0.24777305684348 15.999 > 41 42 O 0.68842206342049 0.76473016758927 0.52980126505766 15.999 > 42 43 O 0.31157793657950 0.23526983241073 0.47019873494234 15.999 > 43 44 O 0.96506549518728 0.76515159231533 0.75222694315652 15.999 > 44 45 O 0.11821738141630 0.73967708470499 0.04707931992114 15.999 > 45 46 O 0.02392979774451 0.51395622040770 0.82487599465437 15.999 > 46 47 O 0.18804588578298 0.00623391249064 0.10458913602480 15.999 > 47 48 O 0.97607020225550 0.01395622040770 0.67512400534563 15.999 > 48 49 O 0.32224897607692 0.76698047689282 0.38822625030855 15.999 > 49 50 O 0.33483894924463 0.49899700387864 0.39182066759781 15.999 > 50 51 O 0.03493450481272 0.26515159231533 0.74777305684348 15.999 > 51 52 O 0.31157793657950 0.26473016758927 0.97019873494234 15.999 > 52 53 O 0.11821738141630 0.76032291529501 0.54707931992114 15.999 > 53 54 O 0.47853892466836 0.24715586883390 0.26883539581955 15.999 > 54 55 O 0.43300105370718 0.50385905071378 0.14105789456080 15.999 > 55 56 O 0.18804588578298 0.49376608750936 0.60458913602480 15.999 > 56 57 O 0.32224897607692 0.73301952310718 0.88822625030855 15.999 > 57 58 O 0.33483894924463 0.00100299612136 0.89182066759781 15.999 > 58 59 O 0.47853892466836 0.25284413116610 0.76883539581954 15.999 > 59 60 O 0.43300105370718 0.99614094928622 0.64105789456080 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.630169980179240 0.000000000000000 0.000000000000000 b 0.000000000000000 10.487670590000000 0.000000000000000 c -3.441135043223228 0.000000000000000 10.727817806358061 Atomic positions (fractional): *1 Y 0.29618577914488 0.36967918987753 0.44171612735354 88.906 > 1 2 Y 0.79618577914488 0.36967918987753 0.44171612735354 88.906 > 1 3 Y 0.29618577914488 0.13032081012247 0.94171612735354 88.906 > 2 4 Y 0.79618577914488 0.13032081012247 0.94171612735354 88.906 > 2 *5 Y 0.36309730196203 0.60067160502264 0.20156464069728 88.906 > 3 6 Y 0.86309730196203 0.60067160502264 0.20156464069728 88.906 > 3 *7 Y 0.38156124350038 0.11971214245433 0.27842659869679 88.906 > 4 8 Y 0.88156124350038 0.11971214245433 0.27842659869679 88.906 > 4 9 Y 0.36309730196203 0.89932839497736 0.70156464069728 88.906 > 5 10 Y 0.86309730196203 0.89932839497736 0.70156464069728 88.906 > 5 *11 Y 0.45823362745468 0.88581282099286 0.09173126504787 88.906 > 6 12 Y 0.95823362745468 0.88581282099286 0.09173126504787 88.906 > 6 13 Y 0.38156124350038 0.38028785754567 0.77842659869679 88.906 > 7 14 Y 0.88156124350038 0.38028785754567 0.77842659869679 88.906 > 7 15 Y 0.04176637254531 0.38581282099287 0.40826873495213 88.906 > 8 16 Y 0.54176637254532 0.38581282099287 0.40826873495213 88.906 > 8 17 Y 0.45823362745468 0.61418717900714 0.59173126504787 88.906 > 9 18 Y 0.95823362745468 0.61418717900714 0.59173126504787 88.906 > 9 19 Y 0.11843875649963 0.61971214245433 0.22157340130321 88.906 > 10 20 Y 0.61843875649962 0.61971214245433 0.22157340130321 88.906 > 10 21 Y 0.04176637254531 0.11418717900714 0.90826873495213 88.906 > 11 22 Y 0.54176637254532 0.11418717900714 0.90826873495213 88.906 > 11 23 Y 0.13690269803797 0.10067160502264 0.29843535930271 88.906 > 12 24 Y 0.63690269803797 0.10067160502264 0.29843535930271 88.906 > 12 25 Y 0.11843875649963 0.88028785754567 0.72157340130321 88.906 > 13 26 Y 0.61843875649962 0.88028785754567 0.72157340130321 88.906 > 13 27 Y 0.13690269803797 0.39932839497736 0.79843535930272 88.906 > 14 28 Y 0.63690269803797 0.39932839497736 0.79843535930272 88.906 > 14 29 Y 0.20381422085512 0.86967918987753 0.05828387264646 88.906 > 15 30 Y 0.70381422085512 0.86967918987753 0.05828387264646 88.906 > 15 31 Y 0.20381422085512 0.63032081012247 0.55828387264646 88.906 > 16 32 Y 0.70381422085512 0.63032081012247 0.55828387264646 88.906 > 16 *33 Ga 0.27784253268962 0.83327422538137 0.38016549330999 69.723 > 17 34 Ga 0.77784253268962 0.83327422538137 0.38016549330999 69.723 > 17 35 Ga 0.27784253268962 0.66672577461863 0.88016549330998 69.723 > 18 36 Ga 0.77784253268962 0.66672577461863 0.88016549330998 69.723 > 18 *37 Ga 0.45768233928249 0.32794924956661 0.10749419181107 69.723 > 19 38 Ga 0.95768233928249 0.32794924956661 0.10749419181107 69.723 > 19 39 Ga 0.04231766071751 0.82794924956661 0.39250580818893 69.723 > 20 40 Ga 0.54231766071751 0.82794924956661 0.39250580818893 69.723 > 20 41 Ga 0.45768233928249 0.17205075043339 0.60749419181107 69.723 > 21 42 Ga 0.95768233928249 0.17205075043339 0.60749419181107 69.723 > 21 43 Ga 0.04231766071751 0.67205075043339 0.89250580818893 69.723 > 22 44 Ga 0.54231766071751 0.67205075043339 0.89250580818893 69.723 > 22 45 Ga 0.22215746731038 0.33327422538137 0.11983450669001 69.723 > 23 46 Ga 0.72215746731038 0.33327422538137 0.11983450669001 69.723 > 23 47 Ga 0.22215746731038 0.16672577461863 0.61983450669002 69.723 > 24 48 Ga 0.72215746731038 0.16672577461863 0.61983450669002 69.723 > 24 *49 O 0.28349947314641 0.00385905071378 0.35894210543920 15.999 > 25 50 O 0.78349947314641 0.00385905071378 0.35894210543920 15.999 > 25 *51 O 0.26073053766582 0.74715586883389 0.23116460418046 15.999 > 26 52 O 0.76073053766582 0.74715586883389 0.23116460418046 15.999 > 26 *53 O 0.33258052537769 0.99899700387864 0.10817933240219 15.999 > 27 54 O 0.83258052537769 0.99899700387864 0.10817933240219 15.999 > 27 *55 O 0.33887551196154 0.26698047689282 0.11177374969145 15.999 > 28 56 O 0.83887551196154 0.26698047689282 0.11177374969145 15.999 > 28 *57 O 0.40597705710851 0.50623391249064 0.39541086397520 15.999 > 29 58 O 0.90597705710851 0.50623391249064 0.39541086397520 15.999 > 29 59 O 0.28349947314641 0.49614094928622 0.85894210543920 15.999 > 30 60 O 0.78349947314641 0.49614094928622 0.85894210543920 15.999 > 30 61 O 0.26073053766582 0.75284413116611 0.73116460418046 15.999 > 31 62 O 0.76073053766582 0.75284413116611 0.73116460418046 15.999 > 31 *63 O 0.44089130929185 0.23967708470499 0.45292068007886 15.999 > 32 64 O 0.94089130929185 0.23967708470499 0.45292068007886 15.999 > 32 *65 O 0.34421103171025 0.73526983241073 0.02980126505766 15.999 > 33 66 O 0.84421103171025 0.73526983241073 0.02980126505766 15.999 > 33 *67 O 0.48253274759364 0.73484840768467 0.25222694315652 15.999 > 34 68 O 0.98253274759364 0.73484840768467 0.25222694315652 15.999 > 34 69 O 0.33258052537769 0.50100299612136 0.60817933240219 15.999 > 35 70 O 0.83258052537769 0.50100299612136 0.60817933240219 15.999 > 35 71 O 0.33887551196154 0.23301952310718 0.61177374969145 15.999 > 36 72 O 0.83887551196154 0.23301952310718 0.61177374969145 15.999 > 36 *73 O 0.01196489887225 0.98604377959230 0.32487599465437 15.999 > 37 74 O 0.51196489887225 0.98604377959230 0.32487599465437 15.999 > 37 75 O 0.40597705710851 0.99376608750936 0.89541086397520 15.999 > 38 76 O 0.90597705710851 0.99376608750936 0.89541086397520 15.999 > 38 77 O 0.48803510112775 0.48604377959230 0.17512400534563 15.999 > 39 78 O 0.98803510112775 0.48604377959230 0.17512400534563 15.999 > 39 79 O 0.44089130929185 0.26032291529501 0.95292068007886 15.999 > 40 80 O 0.94089130929185 0.26032291529501 0.95292068007886 15.999 > 40 81 O 0.01746725240636 0.23484840768467 0.24777305684348 15.999 > 41 82 O 0.51746725240636 0.23484840768467 0.24777305684348 15.999 > 41 83 O 0.34421103171025 0.76473016758927 0.52980126505766 15.999 > 42 84 O 0.84421103171025 0.76473016758927 0.52980126505766 15.999 > 42 85 O 0.15578896828975 0.23526983241073 0.47019873494234 15.999 > 43 86 O 0.65578896828975 0.23526983241073 0.47019873494234 15.999 > 43 87 O 0.48253274759364 0.76515159231533 0.75222694315652 15.999 > 44 88 O 0.98253274759364 0.76515159231533 0.75222694315652 15.999 > 44 89 O 0.05910869070815 0.73967708470499 0.04707931992114 15.999 > 45 90 O 0.55910869070815 0.73967708470499 0.04707931992114 15.999 > 45 91 O 0.01196489887225 0.51395622040770 0.82487599465437 15.999 > 46 92 O 0.51196489887225 0.51395622040770 0.82487599465437 15.999 > 46 93 O 0.09402294289149 0.00623391249064 0.10458913602480 15.999 > 47 94 O 0.59402294289149 0.00623391249064 0.10458913602480 15.999 > 47 95 O 0.48803510112775 0.01395622040770 0.67512400534563 15.999 > 48 96 O 0.98803510112775 0.01395622040770 0.67512400534563 15.999 > 48 97 O 0.16112448803846 0.76698047689282 0.38822625030855 15.999 > 49 98 O 0.66112448803846 0.76698047689282 0.38822625030855 15.999 > 49 99 O 0.16741947462231 0.49899700387864 0.39182066759781 15.999 > 50 100 O 0.66741947462231 0.49899700387864 0.39182066759781 15.999 > 50 101 O 0.01746725240636 0.26515159231533 0.74777305684348 15.999 > 51 102 O 0.51746725240636 0.26515159231533 0.74777305684348 15.999 > 51 103 O 0.15578896828975 0.26473016758927 0.97019873494234 15.999 > 52 104 O 0.65578896828975 0.26473016758927 0.97019873494234 15.999 > 52 105 O 0.05910869070815 0.76032291529501 0.54707931992114 15.999 > 53 106 O 0.55910869070815 0.76032291529501 0.54707931992114 15.999 > 53 107 O 0.23926946233418 0.24715586883390 0.26883539581955 15.999 > 54 108 O 0.73926946233418 0.24715586883390 0.26883539581955 15.999 > 54 109 O 0.21650052685359 0.50385905071378 0.14105789456080 15.999 > 55 110 O 0.71650052685359 0.50385905071378 0.14105789456080 15.999 > 55 111 O 0.09402294289149 0.49376608750936 0.60458913602480 15.999 > 56 112 O 0.59402294289149 0.49376608750936 0.60458913602480 15.999 > 56 113 O 0.16112448803846 0.73301952310718 0.88822625030855 15.999 > 57 114 O 0.66112448803846 0.73301952310718 0.88822625030855 15.999 > 57 115 O 0.16741947462231 0.00100299612136 0.89182066759781 15.999 > 58 116 O 0.66741947462231 0.00100299612136 0.89182066759781 15.999 > 58 117 O 0.23926946233418 0.25284413116610 0.76883539581954 15.999 > 59 118 O 0.73926946233418 0.25284413116610 0.76883539581954 15.999 > 59 119 O 0.21650052685359 0.99614094928622 0.64105789456080 15.999 > 60 120 O 0.71650052685359 0.99614094928622 0.64105789456080 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9017516 0.0000000 0.0310880 0.0000000 4.0212207 0.0000000 0.0310896 0.0000000 3.9308876 -------------------------- Born effective charges -------------------------- 1 Y 3.6746665 -0.0173875 0.0879271 -0.0507603 3.8011941 0.2847340 0.0723956 0.1546501 3.5716161 2 Y 3.6746665 0.0173875 0.0879271 0.0507603 3.8011941 -0.2847340 0.0723956 -0.1546501 3.5716161 3 Y 4.2473932 0.0428569 0.1596991 0.0332591 3.8806245 -0.4383616 0.0925699 -0.5592121 3.4000643 4 Y 3.8431089 0.0476658 -0.1062370 0.0237039 3.7937708 0.2429860 0.0041646 0.4774280 3.7112667 5 Y 4.2473932 -0.0428569 0.1596991 -0.0332591 3.8806245 0.4383616 0.0925699 0.5592121 3.4000643 6 Y 4.0711658 0.0484825 0.0384555 0.0014269 3.7759351 -0.4042884 0.0452349 -0.2090161 3.2712852 7 Y 3.8431089 -0.0476658 -0.1062370 -0.0237039 3.7937708 -0.2429860 0.0041646 -0.4774280 3.7112667 8 Y 4.0711658 -0.0484825 0.0384555 -0.0014269 3.7759351 0.4042884 0.0452349 0.2090161 3.2712852 9 Y 4.0711658 -0.0484825 0.0384555 -0.0014269 3.7759351 0.4042884 0.0452349 0.2090161 3.2712852 10 Y 3.8431089 -0.0476658 -0.1062370 -0.0237039 3.7937708 -0.2429860 0.0041646 -0.4774280 3.7112667 11 Y 4.0711658 0.0484825 0.0384555 0.0014269 3.7759351 -0.4042884 0.0452349 -0.2090161 3.2712852 12 Y 4.2473932 -0.0428569 0.1596991 -0.0332591 3.8806245 0.4383616 0.0925699 0.5592121 3.4000643 13 Y 3.8431089 0.0476658 -0.1062370 0.0237039 3.7937708 0.2429860 0.0041646 0.4774280 3.7112667 14 Y 4.2473932 0.0428569 0.1596991 0.0332591 3.8806245 -0.4383616 0.0925699 -0.5592121 3.4000643 15 Y 3.6746665 0.0173875 0.0879271 0.0507603 3.8011941 -0.2847340 0.0723956 -0.1546501 3.5716161 16 Y 3.6746665 -0.0173875 0.0879271 -0.0507603 3.8011941 0.2847340 0.0723956 0.1546501 3.5716161 17 Ga 2.2524665 0.2247388 0.0013988 0.2473703 2.8762402 -0.1075035 0.0142780 -0.2137511 2.9818655 18 Ga 2.2524665 -0.2247388 0.0013988 -0.2473703 2.8762402 0.1075035 0.0142780 0.2137511 2.9818655 19 Ga 2.3101070 0.1999020 0.0979627 0.2223361 2.7234830 0.1817030 0.0666941 0.3486059 3.0815217 20 Ga 2.3101070 -0.1999020 0.0979627 -0.2223361 2.7234830 -0.1817030 0.0666941 -0.3486059 3.0815217 21 Ga 2.3101070 -0.1999020 0.0979627 -0.2223361 2.7234830 -0.1817030 0.0666941 -0.3486059 3.0815217 22 Ga 2.3101070 0.1999020 0.0979627 0.2223361 2.7234830 0.1817030 0.0666941 0.3486059 3.0815217 23 Ga 2.2524665 -0.2247388 0.0013988 -0.2473703 2.8762402 0.1075035 0.0142780 0.2137511 2.9818655 24 Ga 2.2524665 0.2247388 0.0013988 0.2473703 2.8762402 -0.1075035 0.0142780 -0.2137511 2.9818655 25 O -2.3079977 -0.1924971 0.0880325 -0.0990368 -2.6134660 0.3822402 0.0743031 0.3177668 -1.6642229 26 O -2.1521295 0.3412837 0.2536643 0.1998005 -2.3598713 0.0538004 0.0563930 0.1033388 -2.4074727 27 O -2.4783465 -0.0624162 -0.1765225 -0.0173052 -2.4819382 -0.1337227 -0.1304070 -0.2471021 -2.4846761 28 O -2.4172209 0.0069460 0.0189232 0.0289409 -1.9001076 -0.0604008 -0.0111878 -0.1760237 -2.0148421 29 O -2.4101188 -0.0478247 0.1351484 -0.0035035 -2.2130398 0.1227107 0.0730019 0.2048099 -2.5788358 30 O -2.3079977 0.1924971 0.0880325 0.0990368 -2.6134660 -0.3822402 0.0743031 -0.3177668 -1.6642229 31 O -2.1521295 -0.3412837 0.2536643 -0.1998005 -2.3598713 -0.0538004 0.0563930 -0.1033388 -2.4074727 32 O -2.0814728 -0.3065706 0.2996974 -0.1625450 -2.0717998 -0.1543056 0.0823056 0.0017977 -2.6110417 33 O -2.0430305 -0.3705916 -0.3789362 -0.2452084 -2.2013686 -0.0636886 -0.1751908 -0.0824131 -2.4114145 34 O -2.2930907 -0.4056118 -0.3453452 -0.2631008 -2.4205497 -0.1007379 -0.1507648 0.0339760 -2.1409728 35 O -2.4783465 0.0624162 -0.1765225 0.0173052 -2.4819382 0.1337227 -0.1304070 0.2471021 -2.4846761 36 O -2.4172209 -0.0069460 0.0189232 -0.0289409 -1.9001076 0.0604008 -0.0111878 0.1760237 -2.0148421 37 O -2.2155007 0.1760152 -0.1738682 0.0881565 -2.5891065 0.3656277 -0.1137903 0.1845444 -1.7041410 38 O -2.4101188 0.0478247 0.1351484 0.0035035 -2.2130398 -0.1227107 0.0730019 -0.2048099 -2.5788358 39 O -2.2155007 -0.1760152 -0.1738682 -0.0881565 -2.5891065 -0.3656277 -0.1137903 -0.1845444 -1.7041410 40 O -2.0814728 0.3065706 0.2996974 0.1625450 -2.0717998 0.1543056 0.0823056 -0.0017977 -2.6110417 41 O -2.2930907 0.4056118 -0.3453452 0.2631008 -2.4205497 0.1007379 -0.1507648 -0.0339760 -2.1409728 42 O -2.0430305 0.3705916 -0.3789362 0.2452084 -2.2013686 0.0636886 -0.1751908 0.0824131 -2.4114145 43 O -2.0430305 0.3705916 -0.3789362 0.2452084 -2.2013686 0.0636886 -0.1751908 0.0824131 -2.4114145 44 O -2.2930907 0.4056118 -0.3453452 0.2631008 -2.4205497 0.1007379 -0.1507648 -0.0339760 -2.1409728 45 O -2.0814728 0.3065706 0.2996974 0.1625450 -2.0717998 0.1543056 0.0823056 -0.0017977 -2.6110417 46 O -2.2155007 -0.1760152 -0.1738682 -0.0881565 -2.5891065 -0.3656277 -0.1137903 -0.1845444 -1.7041410 47 O -2.4101188 0.0478247 0.1351484 0.0035035 -2.2130398 -0.1227107 0.0730019 -0.2048099 -2.5788358 48 O -2.2155007 0.1760152 -0.1738682 0.0881565 -2.5891065 0.3656277 -0.1137903 0.1845444 -1.7041410 49 O -2.4172209 -0.0069460 0.0189232 -0.0289409 -1.9001076 0.0604008 -0.0111878 0.1760237 -2.0148421 50 O -2.4783465 0.0624162 -0.1765225 0.0173052 -2.4819382 0.1337227 -0.1304070 0.2471021 -2.4846761 51 O -2.2930907 -0.4056118 -0.3453452 -0.2631008 -2.4205497 -0.1007379 -0.1507648 0.0339760 -2.1409728 52 O -2.0430305 -0.3705916 -0.3789362 -0.2452084 -2.2013686 -0.0636886 -0.1751908 -0.0824131 -2.4114145 53 O -2.0814728 -0.3065706 0.2996974 -0.1625450 -2.0717998 -0.1543056 0.0823056 0.0017977 -2.6110417 54 O -2.1521295 -0.3412837 0.2536643 -0.1998005 -2.3598713 -0.0538004 0.0563930 -0.1033388 -2.4074727 55 O -2.3079977 0.1924971 0.0880325 0.0990368 -2.6134660 -0.3822402 0.0743031 -0.3177668 -1.6642229 56 O -2.4101188 -0.0478247 0.1351484 -0.0035035 -2.2130398 0.1227107 0.0730019 0.2048099 -2.5788358 57 O -2.4172209 0.0069460 0.0189232 0.0289409 -1.9001076 -0.0604008 -0.0111878 -0.1760237 -2.0148421 58 O -2.4783465 -0.0624162 -0.1765225 -0.0173052 -2.4819382 -0.1337227 -0.1304070 -0.2471021 -2.4846761 59 O -2.1521295 0.3412837 0.2536643 0.1998005 -2.3598713 0.0538004 0.0563930 0.1033388 -2.4074727 60 O -2.3079977 -0.1924971 0.0880325 -0.0990368 -2.6134660 0.3822402 0.0743031 0.3177668 -1.6642229 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.464 Solver_block: 200 / 1840 - Time: 2.139 Solver_block: 300 / 1840 - Time: 2.131 Solver_block: 400 / 1840 - Time: 2.137 Solver_block: 500 / 1840 - Time: 2.143 Solver_block: 600 / 1840 - Time: 2.142 Solver_block: 700 / 1840 - Time: 2.140 Solver_block: 800 / 1840 - Time: 2.140 Solver_block: 900 / 1840 - Time: 2.139 Solver_block: 1000 / 1840 - Time: 2.143 Solver_block: 1100 / 1840 - Time: 2.139 Solver_block: 1200 / 1840 - Time: 2.135 Solver_block: 1300 / 1840 - Time: 2.141 Solver_block: 1400 / 1840 - Time: 2.134 Solver_block: 1500 / 1840 - Time: 2.142 Solver_block: 1600 / 1840 - Time: 2.142 Solver_block: 1700 / 1840 - Time: 2.143 Solver_block: 1800 / 1840 - Time: 2.137 Solver_block: 1840 / 1840 - Time: 1.054 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 40.927 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:38:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:38:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.315084990089620 0.000000000000000 0.000000000000000 b 0.000000000000000 10.487670590000000 0.000000000000000 c -3.441135043223228 0.000000000000000 10.727817806358061 Atomic positions (fractional): 1 Y 0.59237155828976 0.36967918987753 0.44171612735354 88.906 2 Y 0.59237155828976 0.13032081012247 0.94171612735354 88.906 3 Y 0.72619460392407 0.60067160502264 0.20156464069728 88.906 4 Y 0.76312248700075 0.11971214245433 0.27842659869679 88.906 5 Y 0.72619460392407 0.89932839497736 0.70156464069728 88.906 6 Y 0.91646725490937 0.88581282099286 0.09173126504787 88.906 7 Y 0.76312248700075 0.38028785754567 0.77842659869679 88.906 8 Y 0.08353274509063 0.38581282099287 0.40826873495213 88.906 9 Y 0.91646725490937 0.61418717900714 0.59173126504787 88.906 10 Y 0.23687751299925 0.61971214245433 0.22157340130321 88.906 11 Y 0.08353274509063 0.11418717900714 0.90826873495213 88.906 12 Y 0.27380539607593 0.10067160502264 0.29843535930271 88.906 13 Y 0.23687751299925 0.88028785754567 0.72157340130321 88.906 14 Y 0.27380539607593 0.39932839497736 0.79843535930272 88.906 15 Y 0.40762844171024 0.86967918987753 0.05828387264646 88.906 16 Y 0.40762844171024 0.63032081012247 0.55828387264646 88.906 17 Ga 0.55568506537924 0.83327422538137 0.38016549330999 69.723 18 Ga 0.55568506537924 0.66672577461863 0.88016549330998 69.723 19 Ga 0.91536467856498 0.32794924956661 0.10749419181107 69.723 20 Ga 0.08463532143502 0.82794924956661 0.39250580818893 69.723 21 Ga 0.91536467856498 0.17205075043339 0.60749419181107 69.723 22 Ga 0.08463532143502 0.67205075043339 0.89250580818893 69.723 23 Ga 0.44431493462076 0.33327422538137 0.11983450669001 69.723 24 Ga 0.44431493462076 0.16672577461863 0.61983450669002 69.723 25 O 0.56699894629282 0.00385905071378 0.35894210543920 15.999 26 O 0.52146107533164 0.74715586883389 0.23116460418046 15.999 27 O 0.66516105075537 0.99899700387864 0.10817933240219 15.999 28 O 0.67775102392308 0.26698047689282 0.11177374969145 15.999 29 O 0.81195411421702 0.50623391249064 0.39541086397520 15.999 30 O 0.56699894629282 0.49614094928622 0.85894210543920 15.999 31 O 0.52146107533164 0.75284413116611 0.73116460418046 15.999 32 O 0.88178261858370 0.23967708470499 0.45292068007886 15.999 33 O 0.68842206342049 0.73526983241073 0.02980126505766 15.999 34 O 0.96506549518728 0.73484840768467 0.25222694315652 15.999 35 O 0.66516105075537 0.50100299612136 0.60817933240219 15.999 36 O 0.67775102392308 0.23301952310718 0.61177374969145 15.999 37 O 0.02392979774451 0.98604377959230 0.32487599465437 15.999 38 O 0.81195411421702 0.99376608750936 0.89541086397520 15.999 39 O 0.97607020225550 0.48604377959230 0.17512400534563 15.999 40 O 0.88178261858370 0.26032291529501 0.95292068007886 15.999 41 O 0.03493450481272 0.23484840768467 0.24777305684348 15.999 42 O 0.68842206342049 0.76473016758927 0.52980126505766 15.999 43 O 0.31157793657950 0.23526983241073 0.47019873494234 15.999 44 O 0.96506549518728 0.76515159231533 0.75222694315652 15.999 45 O 0.11821738141630 0.73967708470499 0.04707931992114 15.999 46 O 0.02392979774451 0.51395622040770 0.82487599465437 15.999 47 O 0.18804588578298 0.00623391249064 0.10458913602480 15.999 48 O 0.97607020225550 0.01395622040770 0.67512400534563 15.999 49 O 0.32224897607692 0.76698047689282 0.38822625030855 15.999 50 O 0.33483894924463 0.49899700387864 0.39182066759781 15.999 51 O 0.03493450481272 0.26515159231533 0.74777305684348 15.999 52 O 0.31157793657950 0.26473016758927 0.97019873494234 15.999 53 O 0.11821738141630 0.76032291529501 0.54707931992114 15.999 54 O 0.47853892466836 0.24715586883390 0.26883539581955 15.999 55 O 0.43300105370718 0.50385905071378 0.14105789456080 15.999 56 O 0.18804588578298 0.49376608750936 0.60458913602480 15.999 57 O 0.32224897607692 0.73301952310718 0.88822625030855 15.999 58 O 0.33483894924463 0.00100299612136 0.89182066759781 15.999 59 O 0.47853892466836 0.25284413116610 0.76883539581954 15.999 60 O 0.43300105370718 0.99614094928622 0.64105789456080 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.630169980179240 0.000000000000000 0.000000000000000 b 0.000000000000000 10.487670590000000 0.000000000000000 c -3.441135043223228 0.000000000000000 10.727817806358061 Atomic positions (fractional): 1 Y 0.29618577914488 0.36967918987753 0.44171612735354 88.906 > 1 2 Y 0.79618577914488 0.36967918987753 0.44171612735354 88.906 > 1 3 Y 0.29618577914488 0.13032081012247 0.94171612735354 88.906 > 3 4 Y 0.79618577914488 0.13032081012247 0.94171612735354 88.906 > 3 5 Y 0.36309730196203 0.60067160502264 0.20156464069728 88.906 > 5 6 Y 0.86309730196203 0.60067160502264 0.20156464069728 88.906 > 5 7 Y 0.38156124350038 0.11971214245433 0.27842659869679 88.906 > 7 8 Y 0.88156124350038 0.11971214245433 0.27842659869679 88.906 > 7 9 Y 0.36309730196203 0.89932839497736 0.70156464069728 88.906 > 9 10 Y 0.86309730196203 0.89932839497736 0.70156464069728 88.906 > 9 11 Y 0.45823362745468 0.88581282099286 0.09173126504787 88.906 > 11 12 Y 0.95823362745468 0.88581282099286 0.09173126504787 88.906 > 11 13 Y 0.38156124350038 0.38028785754567 0.77842659869679 88.906 > 13 14 Y 0.88156124350038 0.38028785754567 0.77842659869679 88.906 > 13 15 Y 0.04176637254531 0.38581282099287 0.40826873495213 88.906 > 15 16 Y 0.54176637254532 0.38581282099287 0.40826873495213 88.906 > 15 17 Y 0.45823362745468 0.61418717900714 0.59173126504787 88.906 > 17 18 Y 0.95823362745468 0.61418717900714 0.59173126504787 88.906 > 17 19 Y 0.11843875649963 0.61971214245433 0.22157340130321 88.906 > 19 20 Y 0.61843875649962 0.61971214245433 0.22157340130321 88.906 > 19 21 Y 0.04176637254531 0.11418717900714 0.90826873495213 88.906 > 21 22 Y 0.54176637254532 0.11418717900714 0.90826873495213 88.906 > 21 23 Y 0.13690269803797 0.10067160502264 0.29843535930271 88.906 > 23 24 Y 0.63690269803797 0.10067160502264 0.29843535930271 88.906 > 23 25 Y 0.11843875649963 0.88028785754567 0.72157340130321 88.906 > 25 26 Y 0.61843875649962 0.88028785754567 0.72157340130321 88.906 > 25 27 Y 0.13690269803797 0.39932839497736 0.79843535930272 88.906 > 27 28 Y 0.63690269803797 0.39932839497736 0.79843535930272 88.906 > 27 29 Y 0.20381422085512 0.86967918987753 0.05828387264646 88.906 > 29 30 Y 0.70381422085512 0.86967918987753 0.05828387264646 88.906 > 29 31 Y 0.20381422085512 0.63032081012247 0.55828387264646 88.906 > 31 32 Y 0.70381422085512 0.63032081012247 0.55828387264646 88.906 > 31 33 Ga 0.27784253268962 0.83327422538137 0.38016549330999 69.723 > 33 34 Ga 0.77784253268962 0.83327422538137 0.38016549330999 69.723 > 33 35 Ga 0.27784253268962 0.66672577461863 0.88016549330998 69.723 > 35 36 Ga 0.77784253268962 0.66672577461863 0.88016549330998 69.723 > 35 37 Ga 0.45768233928249 0.32794924956661 0.10749419181107 69.723 > 37 38 Ga 0.95768233928249 0.32794924956661 0.10749419181107 69.723 > 37 39 Ga 0.04231766071751 0.82794924956661 0.39250580818893 69.723 > 39 40 Ga 0.54231766071751 0.82794924956661 0.39250580818893 69.723 > 39 41 Ga 0.45768233928249 0.17205075043339 0.60749419181107 69.723 > 41 42 Ga 0.95768233928249 0.17205075043339 0.60749419181107 69.723 > 41 43 Ga 0.04231766071751 0.67205075043339 0.89250580818893 69.723 > 43 44 Ga 0.54231766071751 0.67205075043339 0.89250580818893 69.723 > 43 45 Ga 0.22215746731038 0.33327422538137 0.11983450669001 69.723 > 45 46 Ga 0.72215746731038 0.33327422538137 0.11983450669001 69.723 > 45 47 Ga 0.22215746731038 0.16672577461863 0.61983450669002 69.723 > 47 48 Ga 0.72215746731038 0.16672577461863 0.61983450669002 69.723 > 47 49 O 0.28349947314641 0.00385905071378 0.35894210543920 15.999 > 49 50 O 0.78349947314641 0.00385905071378 0.35894210543920 15.999 > 49 51 O 0.26073053766582 0.74715586883389 0.23116460418046 15.999 > 51 52 O 0.76073053766582 0.74715586883389 0.23116460418046 15.999 > 51 53 O 0.33258052537769 0.99899700387864 0.10817933240219 15.999 > 53 54 O 0.83258052537769 0.99899700387864 0.10817933240219 15.999 > 53 55 O 0.33887551196154 0.26698047689282 0.11177374969145 15.999 > 55 56 O 0.83887551196154 0.26698047689282 0.11177374969145 15.999 > 55 57 O 0.40597705710851 0.50623391249064 0.39541086397520 15.999 > 57 58 O 0.90597705710851 0.50623391249064 0.39541086397520 15.999 > 57 59 O 0.28349947314641 0.49614094928622 0.85894210543920 15.999 > 59 60 O 0.78349947314641 0.49614094928622 0.85894210543920 15.999 > 59 61 O 0.26073053766582 0.75284413116611 0.73116460418046 15.999 > 61 62 O 0.76073053766582 0.75284413116611 0.73116460418046 15.999 > 61 63 O 0.44089130929185 0.23967708470499 0.45292068007886 15.999 > 63 64 O 0.94089130929185 0.23967708470499 0.45292068007886 15.999 > 63 65 O 0.34421103171025 0.73526983241073 0.02980126505766 15.999 > 65 66 O 0.84421103171025 0.73526983241073 0.02980126505766 15.999 > 65 67 O 0.48253274759364 0.73484840768467 0.25222694315652 15.999 > 67 68 O 0.98253274759364 0.73484840768467 0.25222694315652 15.999 > 67 69 O 0.33258052537769 0.50100299612136 0.60817933240219 15.999 > 69 70 O 0.83258052537769 0.50100299612136 0.60817933240219 15.999 > 69 71 O 0.33887551196154 0.23301952310718 0.61177374969145 15.999 > 71 72 O 0.83887551196154 0.23301952310718 0.61177374969145 15.999 > 71 73 O 0.01196489887225 0.98604377959230 0.32487599465437 15.999 > 73 74 O 0.51196489887225 0.98604377959230 0.32487599465437 15.999 > 73 75 O 0.40597705710851 0.99376608750936 0.89541086397520 15.999 > 75 76 O 0.90597705710851 0.99376608750936 0.89541086397520 15.999 > 75 77 O 0.48803510112775 0.48604377959230 0.17512400534563 15.999 > 77 78 O 0.98803510112775 0.48604377959230 0.17512400534563 15.999 > 77 79 O 0.44089130929185 0.26032291529501 0.95292068007886 15.999 > 79 80 O 0.94089130929185 0.26032291529501 0.95292068007886 15.999 > 79 81 O 0.01746725240636 0.23484840768467 0.24777305684348 15.999 > 81 82 O 0.51746725240636 0.23484840768467 0.24777305684348 15.999 > 81 83 O 0.34421103171025 0.76473016758927 0.52980126505766 15.999 > 83 84 O 0.84421103171025 0.76473016758927 0.52980126505766 15.999 > 83 85 O 0.15578896828975 0.23526983241073 0.47019873494234 15.999 > 85 86 O 0.65578896828975 0.23526983241073 0.47019873494234 15.999 > 85 87 O 0.48253274759364 0.76515159231533 0.75222694315652 15.999 > 87 88 O 0.98253274759364 0.76515159231533 0.75222694315652 15.999 > 87 89 O 0.05910869070815 0.73967708470499 0.04707931992114 15.999 > 89 90 O 0.55910869070815 0.73967708470499 0.04707931992114 15.999 > 89 91 O 0.01196489887225 0.51395622040770 0.82487599465437 15.999 > 91 92 O 0.51196489887225 0.51395622040770 0.82487599465437 15.999 > 91 93 O 0.09402294289149 0.00623391249064 0.10458913602480 15.999 > 93 94 O 0.59402294289149 0.00623391249064 0.10458913602480 15.999 > 93 95 O 0.48803510112775 0.01395622040770 0.67512400534563 15.999 > 95 96 O 0.98803510112775 0.01395622040770 0.67512400534563 15.999 > 95 97 O 0.16112448803846 0.76698047689282 0.38822625030855 15.999 > 97 98 O 0.66112448803846 0.76698047689282 0.38822625030855 15.999 > 97 99 O 0.16741947462231 0.49899700387864 0.39182066759781 15.999 > 99 100 O 0.66741947462231 0.49899700387864 0.39182066759781 15.999 > 99 101 O 0.01746725240636 0.26515159231533 0.74777305684348 15.999 > 101 102 O 0.51746725240636 0.26515159231533 0.74777305684348 15.999 > 101 103 O 0.15578896828975 0.26473016758927 0.97019873494234 15.999 > 103 104 O 0.65578896828975 0.26473016758927 0.97019873494234 15.999 > 103 105 O 0.05910869070815 0.76032291529501 0.54707931992114 15.999 > 105 106 O 0.55910869070815 0.76032291529501 0.54707931992114 15.999 > 105 107 O 0.23926946233418 0.24715586883390 0.26883539581955 15.999 > 107 108 O 0.73926946233418 0.24715586883390 0.26883539581955 15.999 > 107 109 O 0.21650052685359 0.50385905071378 0.14105789456080 15.999 > 109 110 O 0.71650052685359 0.50385905071378 0.14105789456080 15.999 > 109 111 O 0.09402294289149 0.49376608750936 0.60458913602480 15.999 > 111 112 O 0.59402294289149 0.49376608750936 0.60458913602480 15.999 > 111 113 O 0.16112448803846 0.73301952310718 0.88822625030855 15.999 > 113 114 O 0.66112448803846 0.73301952310718 0.88822625030855 15.999 > 113 115 O 0.16741947462231 0.00100299612136 0.89182066759781 15.999 > 115 116 O 0.66741947462231 0.00100299612136 0.89182066759781 15.999 > 115 117 O 0.23926946233418 0.25284413116610 0.76883539581954 15.999 > 117 118 O 0.73926946233418 0.25284413116610 0.76883539581954 15.999 > 117 119 O 0.21650052685359 0.99614094928622 0.64105789456080 15.999 > 119 120 O 0.71650052685359 0.99614094928622 0.64105789456080 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9017516 0.0000000 0.0310880 0.0000000 4.0212207 0.0000000 0.0310896 0.0000000 3.9308876 -------------------------- Born effective charges -------------------------- 1 Y 3.6746665 -0.0173875 0.0879271 -0.0507603 3.8011941 0.2847340 0.0723956 0.1546501 3.5716161 2 Y 3.6746665 0.0173875 0.0879271 0.0507603 3.8011941 -0.2847340 0.0723956 -0.1546501 3.5716161 3 Y 4.2473932 0.0428569 0.1596991 0.0332591 3.8806245 -0.4383616 0.0925699 -0.5592121 3.4000643 4 Y 3.8431089 0.0476658 -0.1062370 0.0237039 3.7937708 0.2429860 0.0041646 0.4774280 3.7112667 5 Y 4.2473932 -0.0428569 0.1596991 -0.0332591 3.8806245 0.4383616 0.0925699 0.5592121 3.4000643 6 Y 4.0711658 0.0484825 0.0384555 0.0014269 3.7759351 -0.4042884 0.0452349 -0.2090161 3.2712852 7 Y 3.8431089 -0.0476658 -0.1062370 -0.0237039 3.7937708 -0.2429860 0.0041646 -0.4774280 3.7112667 8 Y 4.0711658 -0.0484825 0.0384555 -0.0014269 3.7759351 0.4042884 0.0452349 0.2090161 3.2712852 9 Y 4.0711658 -0.0484825 0.0384555 -0.0014269 3.7759351 0.4042884 0.0452349 0.2090161 3.2712852 10 Y 3.8431089 -0.0476658 -0.1062370 -0.0237039 3.7937708 -0.2429860 0.0041646 -0.4774280 3.7112667 11 Y 4.0711658 0.0484825 0.0384555 0.0014269 3.7759351 -0.4042884 0.0452349 -0.2090161 3.2712852 12 Y 4.2473932 -0.0428569 0.1596991 -0.0332591 3.8806245 0.4383616 0.0925699 0.5592121 3.4000643 13 Y 3.8431089 0.0476658 -0.1062370 0.0237039 3.7937708 0.2429860 0.0041646 0.4774280 3.7112667 14 Y 4.2473932 0.0428569 0.1596991 0.0332591 3.8806245 -0.4383616 0.0925699 -0.5592121 3.4000643 15 Y 3.6746665 0.0173875 0.0879271 0.0507603 3.8011941 -0.2847340 0.0723956 -0.1546501 3.5716161 16 Y 3.6746665 -0.0173875 0.0879271 -0.0507603 3.8011941 0.2847340 0.0723956 0.1546501 3.5716161 17 Ga 2.2524665 0.2247388 0.0013988 0.2473703 2.8762402 -0.1075035 0.0142780 -0.2137511 2.9818655 18 Ga 2.2524665 -0.2247388 0.0013988 -0.2473703 2.8762402 0.1075035 0.0142780 0.2137511 2.9818655 19 Ga 2.3101070 0.1999020 0.0979627 0.2223361 2.7234830 0.1817030 0.0666941 0.3486059 3.0815217 20 Ga 2.3101070 -0.1999020 0.0979627 -0.2223361 2.7234830 -0.1817030 0.0666941 -0.3486059 3.0815217 21 Ga 2.3101070 -0.1999020 0.0979627 -0.2223361 2.7234830 -0.1817030 0.0666941 -0.3486059 3.0815217 22 Ga 2.3101070 0.1999020 0.0979627 0.2223361 2.7234830 0.1817030 0.0666941 0.3486059 3.0815217 23 Ga 2.2524665 -0.2247388 0.0013988 -0.2473703 2.8762402 0.1075035 0.0142780 0.2137511 2.9818655 24 Ga 2.2524665 0.2247388 0.0013988 0.2473703 2.8762402 -0.1075035 0.0142780 -0.2137511 2.9818655 25 O -2.3079977 -0.1924971 0.0880325 -0.0990368 -2.6134660 0.3822402 0.0743031 0.3177668 -1.6642229 26 O -2.1521295 0.3412837 0.2536643 0.1998005 -2.3598713 0.0538004 0.0563930 0.1033388 -2.4074727 27 O -2.4783465 -0.0624162 -0.1765225 -0.0173052 -2.4819382 -0.1337227 -0.1304070 -0.2471021 -2.4846761 28 O -2.4172209 0.0069460 0.0189232 0.0289409 -1.9001076 -0.0604008 -0.0111878 -0.1760237 -2.0148421 29 O -2.4101188 -0.0478247 0.1351484 -0.0035035 -2.2130398 0.1227107 0.0730019 0.2048099 -2.5788358 30 O -2.3079977 0.1924971 0.0880325 0.0990368 -2.6134660 -0.3822402 0.0743031 -0.3177668 -1.6642229 31 O -2.1521295 -0.3412837 0.2536643 -0.1998005 -2.3598713 -0.0538004 0.0563930 -0.1033388 -2.4074727 32 O -2.0814728 -0.3065706 0.2996974 -0.1625450 -2.0717998 -0.1543056 0.0823056 0.0017977 -2.6110417 33 O -2.0430305 -0.3705916 -0.3789362 -0.2452084 -2.2013686 -0.0636886 -0.1751908 -0.0824131 -2.4114145 34 O -2.2930907 -0.4056118 -0.3453452 -0.2631008 -2.4205497 -0.1007379 -0.1507648 0.0339760 -2.1409728 35 O -2.4783465 0.0624162 -0.1765225 0.0173052 -2.4819382 0.1337227 -0.1304070 0.2471021 -2.4846761 36 O -2.4172209 -0.0069460 0.0189232 -0.0289409 -1.9001076 0.0604008 -0.0111878 0.1760237 -2.0148421 37 O -2.2155007 0.1760152 -0.1738682 0.0881565 -2.5891065 0.3656277 -0.1137903 0.1845444 -1.7041410 38 O -2.4101188 0.0478247 0.1351484 0.0035035 -2.2130398 -0.1227107 0.0730019 -0.2048099 -2.5788358 39 O -2.2155007 -0.1760152 -0.1738682 -0.0881565 -2.5891065 -0.3656277 -0.1137903 -0.1845444 -1.7041410 40 O -2.0814728 0.3065706 0.2996974 0.1625450 -2.0717998 0.1543056 0.0823056 -0.0017977 -2.6110417 41 O -2.2930907 0.4056118 -0.3453452 0.2631008 -2.4205497 0.1007379 -0.1507648 -0.0339760 -2.1409728 42 O -2.0430305 0.3705916 -0.3789362 0.2452084 -2.2013686 0.0636886 -0.1751908 0.0824131 -2.4114145 43 O -2.0430305 0.3705916 -0.3789362 0.2452084 -2.2013686 0.0636886 -0.1751908 0.0824131 -2.4114145 44 O -2.2930907 0.4056118 -0.3453452 0.2631008 -2.4205497 0.1007379 -0.1507648 -0.0339760 -2.1409728 45 O -2.0814728 0.3065706 0.2996974 0.1625450 -2.0717998 0.1543056 0.0823056 -0.0017977 -2.6110417 46 O -2.2155007 -0.1760152 -0.1738682 -0.0881565 -2.5891065 -0.3656277 -0.1137903 -0.1845444 -1.7041410 47 O -2.4101188 0.0478247 0.1351484 0.0035035 -2.2130398 -0.1227107 0.0730019 -0.2048099 -2.5788358 48 O -2.2155007 0.1760152 -0.1738682 0.0881565 -2.5891065 0.3656277 -0.1137903 0.1845444 -1.7041410 49 O -2.4172209 -0.0069460 0.0189232 -0.0289409 -1.9001076 0.0604008 -0.0111878 0.1760237 -2.0148421 50 O -2.4783465 0.0624162 -0.1765225 0.0173052 -2.4819382 0.1337227 -0.1304070 0.2471021 -2.4846761 51 O -2.2930907 -0.4056118 -0.3453452 -0.2631008 -2.4205497 -0.1007379 -0.1507648 0.0339760 -2.1409728 52 O -2.0430305 -0.3705916 -0.3789362 -0.2452084 -2.2013686 -0.0636886 -0.1751908 -0.0824131 -2.4114145 53 O -2.0814728 -0.3065706 0.2996974 -0.1625450 -2.0717998 -0.1543056 0.0823056 0.0017977 -2.6110417 54 O -2.1521295 -0.3412837 0.2536643 -0.1998005 -2.3598713 -0.0538004 0.0563930 -0.1033388 -2.4074727 55 O -2.3079977 0.1924971 0.0880325 0.0990368 -2.6134660 -0.3822402 0.0743031 -0.3177668 -1.6642229 56 O -2.4101188 -0.0478247 0.1351484 -0.0035035 -2.2130398 0.1227107 0.0730019 0.2048099 -2.5788358 57 O -2.4172209 0.0069460 0.0189232 0.0289409 -1.9001076 -0.0604008 -0.0111878 -0.1760237 -2.0148421 58 O -2.4783465 -0.0624162 -0.1765225 -0.0173052 -2.4819382 -0.1337227 -0.1304070 -0.2471021 -2.4846761 59 O -2.1521295 0.3412837 0.2536643 0.1998005 -2.3598713 0.0538004 0.0563930 0.1033388 -2.4074727 60 O -2.3079977 -0.1924971 0.0880325 -0.0990368 -2.6134660 0.3822402 0.0743031 0.3177668 -1.6642229 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 5, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 7, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 11, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 53, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 55, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 63, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 67, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:39:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:39:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.315084990089620 0.000000000000000 0.000000000000000 b 0.000000000000000 10.487670590000000 0.000000000000000 c -3.441135043223228 0.000000000000000 10.727817806358061 Atomic positions (fractional): 1 Y 0.59237155828976 0.36967918987753 0.44171612735354 88.906 2 Y 0.59237155828976 0.13032081012247 0.94171612735354 88.906 3 Y 0.72619460392407 0.60067160502264 0.20156464069728 88.906 4 Y 0.76312248700075 0.11971214245433 0.27842659869679 88.906 5 Y 0.72619460392407 0.89932839497736 0.70156464069728 88.906 6 Y 0.91646725490937 0.88581282099286 0.09173126504787 88.906 7 Y 0.76312248700075 0.38028785754567 0.77842659869679 88.906 8 Y 0.08353274509063 0.38581282099287 0.40826873495213 88.906 9 Y 0.91646725490937 0.61418717900714 0.59173126504787 88.906 10 Y 0.23687751299925 0.61971214245433 0.22157340130321 88.906 11 Y 0.08353274509063 0.11418717900714 0.90826873495213 88.906 12 Y 0.27380539607593 0.10067160502264 0.29843535930271 88.906 13 Y 0.23687751299925 0.88028785754567 0.72157340130321 88.906 14 Y 0.27380539607593 0.39932839497736 0.79843535930272 88.906 15 Y 0.40762844171024 0.86967918987753 0.05828387264646 88.906 16 Y 0.40762844171024 0.63032081012247 0.55828387264646 88.906 17 Ga 0.55568506537924 0.83327422538137 0.38016549330999 69.723 18 Ga 0.55568506537924 0.66672577461863 0.88016549330998 69.723 19 Ga 0.91536467856498 0.32794924956661 0.10749419181107 69.723 20 Ga 0.08463532143502 0.82794924956661 0.39250580818893 69.723 21 Ga 0.91536467856498 0.17205075043339 0.60749419181107 69.723 22 Ga 0.08463532143502 0.67205075043339 0.89250580818893 69.723 23 Ga 0.44431493462076 0.33327422538137 0.11983450669001 69.723 24 Ga 0.44431493462076 0.16672577461863 0.61983450669002 69.723 25 O 0.56699894629282 0.00385905071378 0.35894210543920 15.999 26 O 0.52146107533164 0.74715586883389 0.23116460418046 15.999 27 O 0.66516105075537 0.99899700387864 0.10817933240219 15.999 28 O 0.67775102392308 0.26698047689282 0.11177374969145 15.999 29 O 0.81195411421702 0.50623391249064 0.39541086397520 15.999 30 O 0.56699894629282 0.49614094928622 0.85894210543920 15.999 31 O 0.52146107533164 0.75284413116611 0.73116460418046 15.999 32 O 0.88178261858370 0.23967708470499 0.45292068007886 15.999 33 O 0.68842206342049 0.73526983241073 0.02980126505766 15.999 34 O 0.96506549518728 0.73484840768467 0.25222694315652 15.999 35 O 0.66516105075537 0.50100299612136 0.60817933240219 15.999 36 O 0.67775102392308 0.23301952310718 0.61177374969145 15.999 37 O 0.02392979774451 0.98604377959230 0.32487599465437 15.999 38 O 0.81195411421702 0.99376608750936 0.89541086397520 15.999 39 O 0.97607020225550 0.48604377959230 0.17512400534563 15.999 40 O 0.88178261858370 0.26032291529501 0.95292068007886 15.999 41 O 0.03493450481272 0.23484840768467 0.24777305684348 15.999 42 O 0.68842206342049 0.76473016758927 0.52980126505766 15.999 43 O 0.31157793657950 0.23526983241073 0.47019873494234 15.999 44 O 0.96506549518728 0.76515159231533 0.75222694315652 15.999 45 O 0.11821738141630 0.73967708470499 0.04707931992114 15.999 46 O 0.02392979774451 0.51395622040770 0.82487599465437 15.999 47 O 0.18804588578298 0.00623391249064 0.10458913602480 15.999 48 O 0.97607020225550 0.01395622040770 0.67512400534563 15.999 49 O 0.32224897607692 0.76698047689282 0.38822625030855 15.999 50 O 0.33483894924463 0.49899700387864 0.39182066759781 15.999 51 O 0.03493450481272 0.26515159231533 0.74777305684348 15.999 52 O 0.31157793657950 0.26473016758927 0.97019873494234 15.999 53 O 0.11821738141630 0.76032291529501 0.54707931992114 15.999 54 O 0.47853892466836 0.24715586883390 0.26883539581955 15.999 55 O 0.43300105370718 0.50385905071378 0.14105789456080 15.999 56 O 0.18804588578298 0.49376608750936 0.60458913602480 15.999 57 O 0.32224897607692 0.73301952310718 0.88822625030855 15.999 58 O 0.33483894924463 0.00100299612136 0.89182066759781 15.999 59 O 0.47853892466836 0.25284413116610 0.76883539581954 15.999 60 O 0.43300105370718 0.99614094928622 0.64105789456080 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.630169980179240 0.000000000000000 0.000000000000000 b 0.000000000000000 10.487670590000000 0.000000000000000 c -3.441135043223228 0.000000000000000 10.727817806358061 Atomic positions (fractional): 1 Y 0.29618577914488 0.36967918987753 0.44171612735354 88.906 > 1 2 Y 0.79618577914488 0.36967918987753 0.44171612735354 88.906 > 1 3 Y 0.29618577914488 0.13032081012247 0.94171612735354 88.906 > 3 4 Y 0.79618577914488 0.13032081012247 0.94171612735354 88.906 > 3 5 Y 0.36309730196203 0.60067160502264 0.20156464069728 88.906 > 5 6 Y 0.86309730196203 0.60067160502264 0.20156464069728 88.906 > 5 7 Y 0.38156124350038 0.11971214245433 0.27842659869679 88.906 > 7 8 Y 0.88156124350038 0.11971214245433 0.27842659869679 88.906 > 7 9 Y 0.36309730196203 0.89932839497736 0.70156464069728 88.906 > 9 10 Y 0.86309730196203 0.89932839497736 0.70156464069728 88.906 > 9 11 Y 0.45823362745468 0.88581282099286 0.09173126504787 88.906 > 11 12 Y 0.95823362745468 0.88581282099286 0.09173126504787 88.906 > 11 13 Y 0.38156124350038 0.38028785754567 0.77842659869679 88.906 > 13 14 Y 0.88156124350038 0.38028785754567 0.77842659869679 88.906 > 13 15 Y 0.04176637254531 0.38581282099287 0.40826873495213 88.906 > 15 16 Y 0.54176637254532 0.38581282099287 0.40826873495213 88.906 > 15 17 Y 0.45823362745468 0.61418717900714 0.59173126504787 88.906 > 17 18 Y 0.95823362745468 0.61418717900714 0.59173126504787 88.906 > 17 19 Y 0.11843875649963 0.61971214245433 0.22157340130321 88.906 > 19 20 Y 0.61843875649962 0.61971214245433 0.22157340130321 88.906 > 19 21 Y 0.04176637254531 0.11418717900714 0.90826873495213 88.906 > 21 22 Y 0.54176637254532 0.11418717900714 0.90826873495213 88.906 > 21 23 Y 0.13690269803797 0.10067160502264 0.29843535930271 88.906 > 23 24 Y 0.63690269803797 0.10067160502264 0.29843535930271 88.906 > 23 25 Y 0.11843875649963 0.88028785754567 0.72157340130321 88.906 > 25 26 Y 0.61843875649962 0.88028785754567 0.72157340130321 88.906 > 25 27 Y 0.13690269803797 0.39932839497736 0.79843535930272 88.906 > 27 28 Y 0.63690269803797 0.39932839497736 0.79843535930272 88.906 > 27 29 Y 0.20381422085512 0.86967918987753 0.05828387264646 88.906 > 29 30 Y 0.70381422085512 0.86967918987753 0.05828387264646 88.906 > 29 31 Y 0.20381422085512 0.63032081012247 0.55828387264646 88.906 > 31 32 Y 0.70381422085512 0.63032081012247 0.55828387264646 88.906 > 31 33 Ga 0.27784253268962 0.83327422538137 0.38016549330999 69.723 > 33 34 Ga 0.77784253268962 0.83327422538137 0.38016549330999 69.723 > 33 35 Ga 0.27784253268962 0.66672577461863 0.88016549330998 69.723 > 35 36 Ga 0.77784253268962 0.66672577461863 0.88016549330998 69.723 > 35 37 Ga 0.45768233928249 0.32794924956661 0.10749419181107 69.723 > 37 38 Ga 0.95768233928249 0.32794924956661 0.10749419181107 69.723 > 37 39 Ga 0.04231766071751 0.82794924956661 0.39250580818893 69.723 > 39 40 Ga 0.54231766071751 0.82794924956661 0.39250580818893 69.723 > 39 41 Ga 0.45768233928249 0.17205075043339 0.60749419181107 69.723 > 41 42 Ga 0.95768233928249 0.17205075043339 0.60749419181107 69.723 > 41 43 Ga 0.04231766071751 0.67205075043339 0.89250580818893 69.723 > 43 44 Ga 0.54231766071751 0.67205075043339 0.89250580818893 69.723 > 43 45 Ga 0.22215746731038 0.33327422538137 0.11983450669001 69.723 > 45 46 Ga 0.72215746731038 0.33327422538137 0.11983450669001 69.723 > 45 47 Ga 0.22215746731038 0.16672577461863 0.61983450669002 69.723 > 47 48 Ga 0.72215746731038 0.16672577461863 0.61983450669002 69.723 > 47 49 O 0.28349947314641 0.00385905071378 0.35894210543920 15.999 > 49 50 O 0.78349947314641 0.00385905071378 0.35894210543920 15.999 > 49 51 O 0.26073053766582 0.74715586883389 0.23116460418046 15.999 > 51 52 O 0.76073053766582 0.74715586883389 0.23116460418046 15.999 > 51 53 O 0.33258052537769 0.99899700387864 0.10817933240219 15.999 > 53 54 O 0.83258052537769 0.99899700387864 0.10817933240219 15.999 > 53 55 O 0.33887551196154 0.26698047689282 0.11177374969145 15.999 > 55 56 O 0.83887551196154 0.26698047689282 0.11177374969145 15.999 > 55 57 O 0.40597705710851 0.50623391249064 0.39541086397520 15.999 > 57 58 O 0.90597705710851 0.50623391249064 0.39541086397520 15.999 > 57 59 O 0.28349947314641 0.49614094928622 0.85894210543920 15.999 > 59 60 O 0.78349947314641 0.49614094928622 0.85894210543920 15.999 > 59 61 O 0.26073053766582 0.75284413116611 0.73116460418046 15.999 > 61 62 O 0.76073053766582 0.75284413116611 0.73116460418046 15.999 > 61 63 O 0.44089130929185 0.23967708470499 0.45292068007886 15.999 > 63 64 O 0.94089130929185 0.23967708470499 0.45292068007886 15.999 > 63 65 O 0.34421103171025 0.73526983241073 0.02980126505766 15.999 > 65 66 O 0.84421103171025 0.73526983241073 0.02980126505766 15.999 > 65 67 O 0.48253274759364 0.73484840768467 0.25222694315652 15.999 > 67 68 O 0.98253274759364 0.73484840768467 0.25222694315652 15.999 > 67 69 O 0.33258052537769 0.50100299612136 0.60817933240219 15.999 > 69 70 O 0.83258052537769 0.50100299612136 0.60817933240219 15.999 > 69 71 O 0.33887551196154 0.23301952310718 0.61177374969145 15.999 > 71 72 O 0.83887551196154 0.23301952310718 0.61177374969145 15.999 > 71 73 O 0.01196489887225 0.98604377959230 0.32487599465437 15.999 > 73 74 O 0.51196489887225 0.98604377959230 0.32487599465437 15.999 > 73 75 O 0.40597705710851 0.99376608750936 0.89541086397520 15.999 > 75 76 O 0.90597705710851 0.99376608750936 0.89541086397520 15.999 > 75 77 O 0.48803510112775 0.48604377959230 0.17512400534563 15.999 > 77 78 O 0.98803510112775 0.48604377959230 0.17512400534563 15.999 > 77 79 O 0.44089130929185 0.26032291529501 0.95292068007886 15.999 > 79 80 O 0.94089130929185 0.26032291529501 0.95292068007886 15.999 > 79 81 O 0.01746725240636 0.23484840768467 0.24777305684348 15.999 > 81 82 O 0.51746725240636 0.23484840768467 0.24777305684348 15.999 > 81 83 O 0.34421103171025 0.76473016758927 0.52980126505766 15.999 > 83 84 O 0.84421103171025 0.76473016758927 0.52980126505766 15.999 > 83 85 O 0.15578896828975 0.23526983241073 0.47019873494234 15.999 > 85 86 O 0.65578896828975 0.23526983241073 0.47019873494234 15.999 > 85 87 O 0.48253274759364 0.76515159231533 0.75222694315652 15.999 > 87 88 O 0.98253274759364 0.76515159231533 0.75222694315652 15.999 > 87 89 O 0.05910869070815 0.73967708470499 0.04707931992114 15.999 > 89 90 O 0.55910869070815 0.73967708470499 0.04707931992114 15.999 > 89 91 O 0.01196489887225 0.51395622040770 0.82487599465437 15.999 > 91 92 O 0.51196489887225 0.51395622040770 0.82487599465437 15.999 > 91 93 O 0.09402294289149 0.00623391249064 0.10458913602480 15.999 > 93 94 O 0.59402294289149 0.00623391249064 0.10458913602480 15.999 > 93 95 O 0.48803510112775 0.01395622040770 0.67512400534563 15.999 > 95 96 O 0.98803510112775 0.01395622040770 0.67512400534563 15.999 > 95 97 O 0.16112448803846 0.76698047689282 0.38822625030855 15.999 > 97 98 O 0.66112448803846 0.76698047689282 0.38822625030855 15.999 > 97 99 O 0.16741947462231 0.49899700387864 0.39182066759781 15.999 > 99 100 O 0.66741947462231 0.49899700387864 0.39182066759781 15.999 > 99 101 O 0.01746725240636 0.26515159231533 0.74777305684348 15.999 > 101 102 O 0.51746725240636 0.26515159231533 0.74777305684348 15.999 > 101 103 O 0.15578896828975 0.26473016758927 0.97019873494234 15.999 > 103 104 O 0.65578896828975 0.26473016758927 0.97019873494234 15.999 > 103 105 O 0.05910869070815 0.76032291529501 0.54707931992114 15.999 > 105 106 O 0.55910869070815 0.76032291529501 0.54707931992114 15.999 > 105 107 O 0.23926946233418 0.24715586883390 0.26883539581955 15.999 > 107 108 O 0.73926946233418 0.24715586883390 0.26883539581955 15.999 > 107 109 O 0.21650052685359 0.50385905071378 0.14105789456080 15.999 > 109 110 O 0.71650052685359 0.50385905071378 0.14105789456080 15.999 > 109 111 O 0.09402294289149 0.49376608750936 0.60458913602480 15.999 > 111 112 O 0.59402294289149 0.49376608750936 0.60458913602480 15.999 > 111 113 O 0.16112448803846 0.73301952310718 0.88822625030855 15.999 > 113 114 O 0.66112448803846 0.73301952310718 0.88822625030855 15.999 > 113 115 O 0.16741947462231 0.00100299612136 0.89182066759781 15.999 > 115 116 O 0.66741947462231 0.00100299612136 0.89182066759781 15.999 > 115 117 O 0.23926946233418 0.25284413116610 0.76883539581954 15.999 > 117 118 O 0.73926946233418 0.25284413116610 0.76883539581954 15.999 > 117 119 O 0.21650052685359 0.99614094928622 0.64105789456080 15.999 > 119 120 O 0.71650052685359 0.99614094928622 0.64105789456080 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9017516 0.0000000 0.0310880 0.0000000 4.0212207 0.0000000 0.0310896 0.0000000 3.9308876 -------------------------- Born effective charges -------------------------- 1 Y 3.6746665 -0.0173875 0.0879271 -0.0507603 3.8011941 0.2847340 0.0723956 0.1546501 3.5716161 2 Y 3.6746665 0.0173875 0.0879271 0.0507603 3.8011941 -0.2847340 0.0723956 -0.1546501 3.5716161 3 Y 4.2473932 0.0428569 0.1596991 0.0332591 3.8806245 -0.4383616 0.0925699 -0.5592121 3.4000643 4 Y 3.8431089 0.0476658 -0.1062370 0.0237039 3.7937708 0.2429860 0.0041646 0.4774280 3.7112667 5 Y 4.2473932 -0.0428569 0.1596991 -0.0332591 3.8806245 0.4383616 0.0925699 0.5592121 3.4000643 6 Y 4.0711658 0.0484825 0.0384555 0.0014269 3.7759351 -0.4042884 0.0452349 -0.2090161 3.2712852 7 Y 3.8431089 -0.0476658 -0.1062370 -0.0237039 3.7937708 -0.2429860 0.0041646 -0.4774280 3.7112667 8 Y 4.0711658 -0.0484825 0.0384555 -0.0014269 3.7759351 0.4042884 0.0452349 0.2090161 3.2712852 9 Y 4.0711658 -0.0484825 0.0384555 -0.0014269 3.7759351 0.4042884 0.0452349 0.2090161 3.2712852 10 Y 3.8431089 -0.0476658 -0.1062370 -0.0237039 3.7937708 -0.2429860 0.0041646 -0.4774280 3.7112667 11 Y 4.0711658 0.0484825 0.0384555 0.0014269 3.7759351 -0.4042884 0.0452349 -0.2090161 3.2712852 12 Y 4.2473932 -0.0428569 0.1596991 -0.0332591 3.8806245 0.4383616 0.0925699 0.5592121 3.4000643 13 Y 3.8431089 0.0476658 -0.1062370 0.0237039 3.7937708 0.2429860 0.0041646 0.4774280 3.7112667 14 Y 4.2473932 0.0428569 0.1596991 0.0332591 3.8806245 -0.4383616 0.0925699 -0.5592121 3.4000643 15 Y 3.6746665 0.0173875 0.0879271 0.0507603 3.8011941 -0.2847340 0.0723956 -0.1546501 3.5716161 16 Y 3.6746665 -0.0173875 0.0879271 -0.0507603 3.8011941 0.2847340 0.0723956 0.1546501 3.5716161 17 Ga 2.2524665 0.2247388 0.0013988 0.2473703 2.8762402 -0.1075035 0.0142780 -0.2137511 2.9818655 18 Ga 2.2524665 -0.2247388 0.0013988 -0.2473703 2.8762402 0.1075035 0.0142780 0.2137511 2.9818655 19 Ga 2.3101070 0.1999020 0.0979627 0.2223361 2.7234830 0.1817030 0.0666941 0.3486059 3.0815217 20 Ga 2.3101070 -0.1999020 0.0979627 -0.2223361 2.7234830 -0.1817030 0.0666941 -0.3486059 3.0815217 21 Ga 2.3101070 -0.1999020 0.0979627 -0.2223361 2.7234830 -0.1817030 0.0666941 -0.3486059 3.0815217 22 Ga 2.3101070 0.1999020 0.0979627 0.2223361 2.7234830 0.1817030 0.0666941 0.3486059 3.0815217 23 Ga 2.2524665 -0.2247388 0.0013988 -0.2473703 2.8762402 0.1075035 0.0142780 0.2137511 2.9818655 24 Ga 2.2524665 0.2247388 0.0013988 0.2473703 2.8762402 -0.1075035 0.0142780 -0.2137511 2.9818655 25 O -2.3079977 -0.1924971 0.0880325 -0.0990368 -2.6134660 0.3822402 0.0743031 0.3177668 -1.6642229 26 O -2.1521295 0.3412837 0.2536643 0.1998005 -2.3598713 0.0538004 0.0563930 0.1033388 -2.4074727 27 O -2.4783465 -0.0624162 -0.1765225 -0.0173052 -2.4819382 -0.1337227 -0.1304070 -0.2471021 -2.4846761 28 O -2.4172209 0.0069460 0.0189232 0.0289409 -1.9001076 -0.0604008 -0.0111878 -0.1760237 -2.0148421 29 O -2.4101188 -0.0478247 0.1351484 -0.0035035 -2.2130398 0.1227107 0.0730019 0.2048099 -2.5788358 30 O -2.3079977 0.1924971 0.0880325 0.0990368 -2.6134660 -0.3822402 0.0743031 -0.3177668 -1.6642229 31 O -2.1521295 -0.3412837 0.2536643 -0.1998005 -2.3598713 -0.0538004 0.0563930 -0.1033388 -2.4074727 32 O -2.0814728 -0.3065706 0.2996974 -0.1625450 -2.0717998 -0.1543056 0.0823056 0.0017977 -2.6110417 33 O -2.0430305 -0.3705916 -0.3789362 -0.2452084 -2.2013686 -0.0636886 -0.1751908 -0.0824131 -2.4114145 34 O -2.2930907 -0.4056118 -0.3453452 -0.2631008 -2.4205497 -0.1007379 -0.1507648 0.0339760 -2.1409728 35 O -2.4783465 0.0624162 -0.1765225 0.0173052 -2.4819382 0.1337227 -0.1304070 0.2471021 -2.4846761 36 O -2.4172209 -0.0069460 0.0189232 -0.0289409 -1.9001076 0.0604008 -0.0111878 0.1760237 -2.0148421 37 O -2.2155007 0.1760152 -0.1738682 0.0881565 -2.5891065 0.3656277 -0.1137903 0.1845444 -1.7041410 38 O -2.4101188 0.0478247 0.1351484 0.0035035 -2.2130398 -0.1227107 0.0730019 -0.2048099 -2.5788358 39 O -2.2155007 -0.1760152 -0.1738682 -0.0881565 -2.5891065 -0.3656277 -0.1137903 -0.1845444 -1.7041410 40 O -2.0814728 0.3065706 0.2996974 0.1625450 -2.0717998 0.1543056 0.0823056 -0.0017977 -2.6110417 41 O -2.2930907 0.4056118 -0.3453452 0.2631008 -2.4205497 0.1007379 -0.1507648 -0.0339760 -2.1409728 42 O -2.0430305 0.3705916 -0.3789362 0.2452084 -2.2013686 0.0636886 -0.1751908 0.0824131 -2.4114145 43 O -2.0430305 0.3705916 -0.3789362 0.2452084 -2.2013686 0.0636886 -0.1751908 0.0824131 -2.4114145 44 O -2.2930907 0.4056118 -0.3453452 0.2631008 -2.4205497 0.1007379 -0.1507648 -0.0339760 -2.1409728 45 O -2.0814728 0.3065706 0.2996974 0.1625450 -2.0717998 0.1543056 0.0823056 -0.0017977 -2.6110417 46 O -2.2155007 -0.1760152 -0.1738682 -0.0881565 -2.5891065 -0.3656277 -0.1137903 -0.1845444 -1.7041410 47 O -2.4101188 0.0478247 0.1351484 0.0035035 -2.2130398 -0.1227107 0.0730019 -0.2048099 -2.5788358 48 O -2.2155007 0.1760152 -0.1738682 0.0881565 -2.5891065 0.3656277 -0.1137903 0.1845444 -1.7041410 49 O -2.4172209 -0.0069460 0.0189232 -0.0289409 -1.9001076 0.0604008 -0.0111878 0.1760237 -2.0148421 50 O -2.4783465 0.0624162 -0.1765225 0.0173052 -2.4819382 0.1337227 -0.1304070 0.2471021 -2.4846761 51 O -2.2930907 -0.4056118 -0.3453452 -0.2631008 -2.4205497 -0.1007379 -0.1507648 0.0339760 -2.1409728 52 O -2.0430305 -0.3705916 -0.3789362 -0.2452084 -2.2013686 -0.0636886 -0.1751908 -0.0824131 -2.4114145 53 O -2.0814728 -0.3065706 0.2996974 -0.1625450 -2.0717998 -0.1543056 0.0823056 0.0017977 -2.6110417 54 O -2.1521295 -0.3412837 0.2536643 -0.1998005 -2.3598713 -0.0538004 0.0563930 -0.1033388 -2.4074727 55 O -2.3079977 0.1924971 0.0880325 0.0990368 -2.6134660 -0.3822402 0.0743031 -0.3177668 -1.6642229 56 O -2.4101188 -0.0478247 0.1351484 -0.0035035 -2.2130398 0.1227107 0.0730019 0.2048099 -2.5788358 57 O -2.4172209 0.0069460 0.0189232 0.0289409 -1.9001076 -0.0604008 -0.0111878 -0.1760237 -2.0148421 58 O -2.4783465 -0.0624162 -0.1765225 -0.0173052 -2.4819382 -0.1337227 -0.1304070 -0.2471021 -2.4846761 59 O -2.1521295 0.3412837 0.2536643 0.1998005 -2.3598713 0.0538004 0.0563930 0.1033388 -2.4074727 60 O -2.3079977 -0.1924971 0.0880325 -0.0990368 -2.6134660 0.3822402 0.0743031 0.3177668 -1.6642229 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 5 ] 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: 0.44, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.440 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.369 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.206 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.698 ( 0.000 0.000 0.000) 0.000 6.812 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 6.957 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.354 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.646 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 7.778 ( 0.000 0.000 0.000) 0.000 7.857 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.134 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 0.000) 0.000 8.351 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 8.946 ( 0.000 0.000 0.000) 0.000 9.048 ( 0.000 0.000 0.000) 0.000 9.057 ( 0.000 0.000 0.000) 0.000 9.058 ( 0.000 0.000 0.000) 0.000 9.183 ( 0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.202 ( 0.000 0.000 0.000) 0.000 9.355 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000 9.493 ( 0.000 0.000 0.000) 0.000 9.625 ( 0.000 0.000 0.000) 0.000 9.941 ( 0.000 0.000 0.000) 0.000 10.204 ( 0.000 0.000 0.000) 0.000 10.220 ( 0.000 0.000 0.000) 0.000 10.308 ( 0.000 0.000 0.000) 0.000 10.390 ( 0.000 0.000 0.000) 0.000 10.418 ( 0.000 0.000 0.000) 0.000 10.439 ( 0.000 0.000 0.000) 0.000 10.459 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 10.557 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.656 ( 0.000 0.000 0.000) 0.000 10.727 ( 0.000 0.000 0.000) 0.000 10.840 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 10.935 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.098 ( 0.000 0.000 0.000) 0.000 11.123 ( 0.000 0.000 0.000) 0.000 11.181 ( 0.000 0.000 0.000) 0.000 11.283 ( 0.000 0.000 0.000) 0.000 11.371 ( 0.000 0.000 0.000) 0.000 11.463 ( 0.000 0.000 0.000) 0.000 11.504 ( 0.000 0.000 0.000) 0.000 11.535 ( 0.000 0.000 0.000) 0.000 11.589 ( 0.000 0.000 0.000) 0.000 11.593 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 12.195 ( 0.000 0.000 0.000) 0.000 12.233 ( 0.000 0.000 0.000) 0.000 12.267 ( 0.000 0.000 0.000) 0.000 12.299 ( 0.000 0.000 0.000) 0.000 12.324 ( 0.000 0.000 0.000) 0.000 12.476 ( 0.000 0.000 0.000) 0.000 12.826 ( 0.000 0.000 0.000) 0.000 12.936 ( 0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 13.856 ( 0.000 0.000 0.000) 0.000 14.001 ( 0.000 0.000 0.000) 0.000 14.059 ( 0.000 0.000 0.000) 0.000 14.221 ( 0.000 0.000 0.000) 0.000 14.490 ( 0.000 0.000 0.000) 0.000 14.493 ( 0.000 0.000 0.000) 0.000 14.589 ( 0.000 0.000 0.000) 0.000 14.846 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.232 ( 0.000 0.000 0.000) 0.000 15.518 ( 0.000 0.000 0.000) 0.000 15.616 ( 0.000 0.000 0.000) 0.000 15.713 ( 0.000 0.000 0.000) 0.000 16.342 ( 0.000 0.000 0.000) 0.000 17.524 ( 0.000 0.000 0.000) 0.000 17.651 ( 0.000 0.000 0.000) 0.000 17.953 ( 0.000 0.000 0.000) 0.000 18.064 ( 0.000 0.000 0.000) 0.000 18.440 ( 0.000 0.000 0.000) 0.000 18.485 ( 0.000 0.000 0.000) 0.000 18.870 ( 0.000 0.000 0.000) 0.000 19.073 ( 0.000 0.000 0.000) 0.000 19.297 ( 0.000 0.000 0.000) 0.000 19.305 ( 0.000 0.000 0.000) 0.000 19.352 ( 0.000 0.000 0.000) 0.000 19.735 ( 0.000 0.000 0.000) 0.000 20.076 ( 0.000 0.000 0.000) 0.000 20.102 ( 0.000 0.000 0.000) 0.000 20.161 ( 0.000 0.000 0.000) 0.000 20.364 ( 0.000 0.000 0.000) 0.000 20.445 ( 0.000 0.000 0.000) 0.000 21.100 ( 0.000 0.000 0.000) 0.000 21.266 ( 0.000 0.000 0.000) 0.000 21.503 ( 0.000 0.000 0.000) 0.000 21.555 ( 0.000 0.000 0.000) 0.000 21.672 ( 0.000 0.000 0.000) 0.000 21.877 ( 0.000 0.000 0.000) 0.000 22.139 ( 0.000 0.000 0.000) 0.000 23.159 ( 0.000 0.000 0.000) 0.000 23.249 ( 0.000 0.000 0.000) 0.000 23.254 ( 0.000 0.000 0.000) 0.000 23.365 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 32.711 0.000 6.290) 33.310 0.726 ( 33.287 0.000 12.541) 35.571 1.303 ( 56.420 0.000 23.811) 61.239 2.152 ( 7.335 0.000 -1.304) 7.450 2.406 ( -2.617 0.000 -3.290) 4.204 2.490 ( -2.115 0.000 -1.689) 2.707 2.504 ( 4.539 0.000 3.504) 5.735 2.628 ( 3.993 0.000 -2.230) 4.574 2.809 ( 0.248 0.000 1.187) 1.213 2.956 ( -3.210 0.000 -0.612) 3.268 3.011 ( 2.494 0.000 5.622) 6.150 3.077 ( 8.383 0.000 2.804) 8.840 3.082 ( -1.348 0.000 -5.109) 5.284 3.213 ( -4.970 0.000 -8.011) 9.427 3.242 ( 3.044 0.000 -4.260) 5.236 3.321 ( 0.807 0.000 1.684) 1.868 3.344 ( -2.720 0.000 -7.371) 7.856 3.502 ( 3.100 0.000 13.901) 14.243 3.540 ( 1.123 0.000 -2.436) 2.683 3.635 ( -0.003 0.000 -1.043) 1.043 3.673 ( 2.006 0.000 1.313) 2.397 3.684 ( 0.812 0.000 -2.720) 2.839 3.744 ( 3.166 0.000 3.618) 4.808 3.849 ( -1.423 0.000 -4.738) 4.947 3.855 ( 0.799 0.000 -3.290) 3.386 3.971 ( -1.831 0.000 -0.526) 1.905 3.987 ( -0.889 0.000 -0.960) 1.308 4.067 ( -1.199 0.000 -0.429) 1.273 4.080 ( -0.958 0.000 -0.527) 1.093 4.214 ( 6.070 0.000 3.099) 6.815 4.272 ( -1.314 0.000 -4.572) 4.757 4.334 ( -4.371 0.000 2.979) 5.289 4.358 ( -4.275 0.000 -0.358) 4.290 4.451 ( 0.608 0.000 -2.896) 2.959 4.533 ( 4.080 0.000 8.689) 9.599 4.566 ( -1.166 0.000 -3.578) 3.763 4.618 ( -0.765 0.000 -6.179) 6.227 4.640 ( -6.477 0.000 6.843) 9.423 4.652 ( 8.199 0.000 1.745) 8.383 4.756 ( 5.073 0.000 -7.627) 9.160 4.923 ( 5.492 0.000 0.054) 5.493 4.934 ( -3.643 0.000 2.988) 4.712 5.061 ( -1.772 0.000 2.841) 3.348 5.077 ( 0.748 0.000 -0.528) 0.916 5.239 ( 3.918 0.000 0.270) 3.928 5.245 ( -0.090 0.000 -0.579) 0.586 5.359 ( 0.888 0.000 -4.239) 4.331 5.408 ( 9.521 0.000 0.781) 9.553 5.414 ( 9.560 0.000 -1.853) 9.738 5.500 ( 3.039 0.000 9.092) 9.586 5.690 ( 6.568 0.000 2.338) 6.972 5.706 ( -0.254 0.000 1.284) 1.309 5.870 ( -6.864 0.000 3.661) 7.779 5.980 ( -1.724 0.000 4.148) 4.492 6.057 ( -1.876 0.000 -6.337) 6.609 6.142 ( 1.954 0.000 -11.509) 11.674 6.263 ( -2.995 0.000 2.849) 4.134 6.354 ( -4.118 0.000 7.856) 8.870 6.396 ( -1.653 0.000 -1.261) 2.079 6.552 ( 0.118 0.000 -3.993) 3.995 6.639 ( -3.185 0.000 2.178) 3.858 6.726 ( -1.188 0.000 13.517) 13.569 6.764 ( -2.126 0.000 -7.016) 7.331 6.810 ( 0.019 0.000 -4.137) 4.137 6.971 ( -3.358 0.000 0.160) 3.362 6.988 ( -8.399 0.000 -5.129) 9.841 7.008 ( 0.705 0.000 -0.676) 0.977 7.031 ( -4.940 0.000 -4.595) 6.747 7.205 ( -6.131 0.000 2.929) 6.795 7.263 ( -4.848 0.000 0.178) 4.851 7.312 ( 4.493 0.000 -0.121) 4.495 7.324 ( 0.956 0.000 -6.827) 6.894 7.439 ( 0.994 0.000 5.382) 5.473 7.461 ( 0.319 0.000 4.069) 4.081 7.560 ( -8.579 0.000 7.691) 11.522 7.635 ( -7.554 0.000 -6.118) 9.720 7.702 ( -3.058 0.000 0.604) 3.117 7.833 ( -0.498 0.000 2.984) 3.026 7.919 ( 4.811 0.000 -1.237) 4.967 8.042 ( -0.276 0.000 -4.355) 4.364 8.200 ( -3.811 0.000 -2.522) 4.570 8.259 ( -4.329 0.000 0.923) 4.426 8.267 ( -5.727 0.000 1.602) 5.947 8.341 ( 0.681 0.000 2.853) 2.933 8.467 ( -11.785 0.000 -3.346) 12.251 8.502 ( 6.617 0.000 6.078) 8.985 8.564 ( -7.446 0.000 -5.931) 9.519 8.710 ( 5.152 0.000 -1.018) 5.251 8.871 ( 7.225 0.000 -3.584) 8.065 8.922 ( -7.022 0.000 -4.224) 8.194 9.024 ( -3.226 0.000 3.196) 4.541 9.078 ( -2.408 0.000 2.610) 3.551 9.171 ( 5.531 0.000 -7.076) 8.981 9.221 ( 4.196 0.000 1.271) 4.384 9.259 ( 5.451 0.000 12.677) 13.799 9.269 ( 2.888 0.000 4.174) 5.076 9.322 ( -2.191 0.000 -3.647) 4.255 9.419 ( 5.463 0.000 0.290) 5.471 9.496 ( 6.054 0.000 3.736) 7.114 9.589 ( -0.803 0.000 -1.062) 1.332 9.941 ( -0.301 0.000 2.303) 2.322 10.006 ( 12.573 0.000 -6.944) 14.363 10.105 ( -6.095 0.000 -8.228) 10.240 10.312 ( 0.410 0.000 -2.598) 2.631 10.330 ( -5.821 0.000 -0.766) 5.871 10.391 ( -1.401 0.000 3.350) 3.631 10.401 ( -2.046 0.000 -2.489) 3.222 10.425 ( -0.946 0.000 0.263) 0.982 10.480 ( 0.856 0.000 -1.222) 1.492 10.617 ( 4.268 0.000 -2.241) 4.820 10.660 ( 1.381 0.000 1.036) 1.727 10.686 ( 3.066 0.000 -0.381) 3.089 10.777 ( 2.692 0.000 -1.730) 3.200 10.835 ( 1.529 0.000 0.937) 1.793 10.884 ( -1.222 0.000 -4.042) 4.222 10.913 ( -0.697 0.000 1.227) 1.411 10.992 ( -0.701 0.000 7.088) 7.123 11.086 ( -1.386 0.000 0.283) 1.415 11.088 ( -0.212 0.000 -6.252) 6.256 11.221 ( 0.974 0.000 4.151) 4.263 11.221 ( -0.751 0.000 -6.658) 6.700 11.341 ( -3.880 0.000 2.655) 4.701 11.462 ( -3.702 0.000 -0.076) 3.703 11.531 ( 3.426 0.000 6.500) 7.348 11.576 ( 4.082 0.000 -3.059) 5.101 11.607 ( 3.275 0.000 0.363) 3.295 11.618 ( 3.364 0.000 -1.776) 3.804 11.864 ( 4.886 0.000 -10.860) 11.908 12.178 ( 0.499 0.000 -6.645) 6.663 12.191 ( -3.220 0.000 -3.677) 4.887 12.235 ( -3.055 0.000 0.578) 3.109 12.271 ( -1.395 0.000 -2.789) 3.118 12.311 ( -0.450 0.000 0.575) 0.730 12.475 ( -0.396 0.000 1.326) 1.384 12.769 ( -4.232 0.000 -3.588) 5.548 12.936 ( -0.406 0.000 -0.359) 0.542 13.408 ( 1.363 0.000 -1.792) 2.251 13.864 ( 2.634 0.000 -1.141) 2.870 13.954 ( -3.188 0.000 -0.103) 3.189 14.093 ( 0.703 0.000 3.937) 3.999 14.209 ( -0.217 0.000 -1.249) 1.268 14.362 ( -5.945 0.000 -5.275) 7.948 14.507 ( 0.923 0.000 2.502) 2.667 14.632 ( 3.774 0.000 -4.203) 5.649 14.849 ( -0.791 0.000 15.279) 15.299 14.995 ( 12.184 0.000 -27.357) 29.948 15.132 ( 0.728 0.000 -4.508) 4.566 15.268 ( 4.088 0.000 5.412) 6.783 15.575 ( -3.705 0.000 0.081) 3.706 15.698 ( -8.402 0.000 26.502) 27.802 15.750 ( 0.442 0.000 4.200) 4.223 16.326 ( -1.082 0.000 -1.325) 1.711 17.553 ( 3.240 0.000 -1.647) 3.634 17.693 ( 3.172 0.000 2.933) 4.320 18.100 ( 3.852 0.000 -1.502) 4.134 18.438 ( -1.322 0.000 -8.378) 8.482 18.449 ( 0.537 0.000 0.928) 1.072 18.645 ( 12.874 0.000 -35.226) 37.505 18.877 ( 3.756 0.000 -8.429) 9.228 19.185 ( 9.066 0.000 -9.480) 13.117 19.221 ( -1.118 0.000 -3.434) 3.612 19.438 ( 5.987 0.000 6.800) 9.060 19.598 ( 3.766 0.000 7.489) 8.383 19.768 ( 4.023 0.000 -2.990) 5.013 20.137 ( 3.863 0.000 -1.052) 4.004 20.202 ( 3.044 0.000 0.528) 3.089 20.342 ( -2.369 0.000 0.766) 2.490 20.389 ( -4.625 0.000 -0.683) 4.676 20.907 ( -18.831 0.000 56.864) 59.901 20.940 ( -12.903 0.000 -1.546) 12.995 21.209 ( -6.349 0.000 1.555) 6.537 21.428 ( -11.341 0.000 -2.972) 11.724 21.574 ( 4.812 0.000 2.631) 5.484 21.682 ( -5.934 0.000 5.249) 7.922 21.817 ( -5.070 0.000 -2.158) 5.510 22.144 ( -0.527 0.000 0.878) 1.024 23.256 ( 2.999 0.000 -1.130) 3.205 23.260 ( 0.837 0.000 -0.794) 1.154 23.306 ( 4.713 0.000 0.622) 4.753 23.367 ( 0.444 0.000 -1.192) 1.272 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 30.066 0.000 5.853) 30.631 1.455 ( 33.405 0.000 11.554) 35.347 2.300 ( 0.794 0.000 -10.807) 10.836 2.310 ( 17.416 0.000 2.642) 17.615 2.411 ( 28.325 0.000 11.469) 30.559 2.554 ( 3.434 0.000 7.578) 8.320 2.646 ( 8.293 0.000 -0.301) 8.299 2.670 ( 0.538 0.000 -1.510) 1.603 2.753 ( -5.950 0.000 0.288) 5.957 2.861 ( -3.781 0.000 -0.984) 3.907 2.981 ( -6.642 0.000 0.142) 6.643 2.991 ( -3.876 0.000 -6.831) 7.854 3.042 ( -3.011 0.000 4.234) 5.195 3.156 ( -7.279 0.000 -8.049) 10.852 3.322 ( -0.970 0.000 -2.606) 2.781 3.355 ( 7.484 0.000 -6.444) 9.876 3.436 ( 16.940 0.000 2.250) 17.089 3.535 ( -4.195 0.000 -7.342) 8.456 3.558 ( -3.547 0.000 -2.222) 4.186 3.624 ( 0.624 0.000 7.687) 7.713 3.653 ( -14.866 0.000 -3.350) 15.239 3.660 ( -10.004 0.000 1.823) 10.169 3.741 ( 3.945 0.000 -0.963) 4.061 3.796 ( 0.967 0.000 -1.730) 1.982 3.860 ( 5.340 0.000 -4.010) 6.678 3.914 ( 4.912 0.000 4.124) 6.414 3.928 ( 4.828 0.000 2.211) 5.310 4.051 ( 2.777 0.000 2.481) 3.724 4.173 ( 3.884 0.000 -0.943) 3.996 4.255 ( -1.262 0.000 1.386) 1.874 4.269 ( 1.353 0.000 0.356) 1.399 4.303 ( 3.145 0.000 -5.359) 6.214 4.468 ( 5.375 0.000 5.054) 7.378 4.498 ( 1.180 0.000 -2.617) 2.871 4.548 ( -1.522 0.000 -0.984) 1.812 4.562 ( 1.660 0.000 3.987) 4.319 4.626 ( 4.534 0.000 3.447) 5.695 4.662 ( 0.699 0.000 3.325) 3.398 4.806 ( 5.540 0.000 -0.224) 5.544 4.877 ( 10.642 0.000 -3.659) 11.253 4.934 ( 2.547 0.000 2.808) 3.791 5.019 ( 4.347 0.000 -1.803) 4.706 5.044 ( -0.801 0.000 2.467) 2.594 5.115 ( 5.053 0.000 -4.154) 6.541 5.219 ( 1.086 0.000 -9.702) 9.763 5.307 ( 4.221 0.000 -1.477) 4.472 5.342 ( 0.255 0.000 -5.206) 5.212 5.504 ( 0.883 0.000 -0.905) 1.264 5.532 ( 0.877 0.000 3.440) 3.550 5.599 ( -3.880 0.000 -0.864) 3.975 5.703 ( -3.193 0.000 5.972) 6.772 5.748 ( -1.515 0.000 18.385) 18.447 5.900 ( 9.867 0.000 4.660) 10.912 5.905 ( -8.087 0.000 -3.182) 8.690 5.975 ( -2.777 0.000 -1.829) 3.325 6.184 ( 1.376 0.000 -4.319) 4.533 6.252 ( 3.876 0.000 -3.088) 4.956 6.298 ( -9.762 0.000 -8.589) 13.003 6.378 ( 2.730 0.000 9.421) 9.809 6.510 ( -3.540 0.000 -4.351) 5.609 6.578 ( -4.441 0.000 1.304) 4.628 6.661 ( 0.969 0.000 -7.194) 7.259 6.784 ( -1.196 0.000 -10.673) 10.740 6.801 ( 5.643 0.000 -2.572) 6.201 6.842 ( -5.386 0.000 -0.539) 5.413 6.850 ( 3.154 0.000 10.086) 10.568 6.955 ( -5.525 0.000 1.778) 5.804 6.972 ( -4.279 0.000 4.665) 6.331 7.094 ( -6.923 0.000 -8.027) 10.600 7.181 ( 2.277 0.000 -1.644) 2.808 7.315 ( -0.730 0.000 2.304) 2.417 7.376 ( -2.734 0.000 -8.989) 9.396 7.385 ( -3.608 0.000 7.953) 8.733 7.457 ( -7.280 0.000 3.333) 8.007 7.470 ( -2.401 0.000 0.871) 2.554 7.535 ( -3.355 0.000 12.277) 12.728 7.643 ( -2.906 0.000 0.532) 2.954 7.738 ( -5.964 0.000 -5.727) 8.268 7.976 ( -0.342 0.000 -3.952) 3.967 7.991 ( -10.527 0.000 -0.436) 10.536 8.058 ( -4.519 0.000 -1.979) 4.933 8.145 ( -0.253 0.000 3.838) 3.846 8.181 ( -15.033 0.000 -1.544) 15.112 8.257 ( -3.092 0.000 4.994) 5.873 8.302 ( -0.959 0.000 3.516) 3.645 8.482 ( 1.310 0.000 -8.603) 8.702 8.607 ( -4.676 0.000 2.620) 5.360 8.781 ( -2.665 0.000 1.513) 3.064 8.802 ( 2.281 0.000 -0.802) 2.418 8.861 ( -4.882 0.000 -1.666) 5.159 9.024 ( -0.325 0.000 0.522) 0.615 9.138 ( 9.688 0.000 3.813) 10.412 9.174 ( -0.713 0.000 -3.359) 3.434 9.276 ( -1.465 0.000 -0.487) 1.544 9.324 ( 7.166 0.000 0.202) 7.169 9.357 ( 3.585 0.000 0.097) 3.586 9.432 ( 4.786 0.000 2.766) 5.528 9.542 ( 6.819 0.000 1.423) 6.966 9.615 ( 2.727 0.000 1.517) 3.121 9.641 ( 5.169 0.000 0.297) 5.178 9.947 ( -1.540 0.000 -8.672) 8.807 9.983 ( 0.949 0.000 3.519) 3.645 10.091 ( -6.463 0.000 6.781) 9.367 10.290 ( 2.084 0.000 -4.486) 4.946 10.320 ( 2.967 0.000 -4.559) 5.440 10.343 ( 0.821 0.000 -1.946) 2.112 10.379 ( -1.799 0.000 5.119) 5.426 10.471 ( 6.749 0.000 -1.299) 6.873 10.492 ( -0.203 0.000 0.533) 0.570 10.658 ( 2.715 0.000 -5.457) 6.095 10.664 ( 0.336 0.000 -3.440) 3.457 10.746 ( 2.977 0.000 -1.530) 3.347 10.758 ( -1.066 0.000 -2.776) 2.974 10.841 ( -2.293 0.000 0.408) 2.329 10.888 ( -0.164 0.000 2.190) 2.197 10.932 ( 2.607 0.000 -0.182) 2.613 10.972 ( -3.810 0.000 -1.086) 3.962 11.033 ( -0.720 0.000 -0.909) 1.160 11.094 ( 0.882 0.000 3.152) 3.273 11.199 ( -2.361 0.000 -1.939) 3.055 11.236 ( -5.557 0.000 0.946) 5.637 11.246 ( -1.525 0.000 4.326) 4.587 11.373 ( -3.077 0.000 -4.950) 5.828 11.626 ( 3.158 0.000 -3.863) 4.990 11.644 ( 2.490 0.000 13.703) 13.927 11.705 ( 4.854 0.000 1.368) 5.043 11.719 ( 6.230 0.000 -0.043) 6.230 11.898 ( 3.328 0.000 -4.001) 5.204 12.076 ( -5.022 0.000 -4.821) 6.961 12.138 ( -0.689 0.000 -4.990) 5.038 12.152 ( -4.711 0.000 0.062) 4.711 12.231 ( 0.352 0.000 -6.482) 6.492 12.344 ( 2.161 0.000 5.236) 5.664 12.480 ( 0.383 0.000 0.099) 0.396 12.641 ( -6.206 0.000 -2.844) 6.827 12.898 ( -2.502 0.000 -2.561) 3.580 13.441 ( 2.652 0.000 -1.057) 2.855 13.891 ( 1.022 0.000 -2.451) 2.656 13.897 ( -2.773 0.000 0.759) 2.875 14.123 ( 0.326 0.000 3.295) 3.311 14.185 ( -3.332 0.000 -3.711) 4.988 14.256 ( -0.593 0.000 2.129) 2.210 14.552 ( 1.191 0.000 4.120) 4.288 14.664 ( 0.849 0.000 -0.126) 0.859 14.924 ( 3.171 0.000 0.525) 3.214 15.059 ( -3.249 0.000 -7.063) 7.774 15.068 ( 6.077 0.000 -8.164) 10.178 15.421 ( 4.529 0.000 4.336) 6.270 15.515 ( -0.872 0.000 2.935) 3.062 15.719 ( -4.680 0.000 20.225) 20.759 15.778 ( 2.760 0.000 -5.495) 6.149 16.289 ( -1.424 0.000 -2.130) 2.562 17.617 ( 4.104 0.000 -2.059) 4.592 17.800 ( 4.964 0.000 4.545) 6.731 18.173 ( 3.941 0.000 -1.536) 4.230 18.344 ( -3.297 0.000 -6.710) 7.477 18.472 ( 1.095 0.000 1.262) 1.671 18.661 ( 2.829 0.000 -8.185) 8.660 18.912 ( 4.697 0.000 -8.213) 9.462 19.222 ( 3.106 0.000 -2.202) 3.808 19.331 ( 9.891 0.000 -5.733) 11.432 19.613 ( 7.428 0.000 6.453) 9.840 19.778 ( 9.494 0.000 7.862) 12.327 19.836 ( 4.320 0.000 -3.030) 5.277 20.166 ( -7.751 0.000 -0.586) 7.773 20.224 ( 4.206 0.000 -0.231) 4.212 20.298 ( -0.978 0.000 -0.679) 1.190 20.344 ( -0.310 0.000 -2.487) 2.507 20.693 ( -7.510 0.000 -0.308) 7.516 20.881 ( -10.336 0.000 23.964) 26.098 21.071 ( -8.741 0.000 2.924) 9.217 21.119 ( -16.723 0.000 -2.765) 16.950 21.582 ( -5.485 0.000 0.328) 5.495 21.677 ( -6.579 0.000 -3.307) 7.364 21.678 ( 3.467 0.000 3.342) 4.815 22.109 ( -3.388 0.000 0.341) 3.405 23.278 ( 1.530 0.000 -0.825) 1.738 23.318 ( 3.091 0.000 0.389) 3.115 23.364 ( 0.110 0.000 -1.723) 1.726 23.410 ( 4.620 0.000 1.424) 4.834 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 22.241 0.000 4.816) 22.756 2.150 ( 29.018 0.000 8.361) 30.198 2.345 ( 8.338 0.000 -4.438) 9.446 2.416 ( -14.484 0.000 -4.631) 15.206 2.561 ( 8.366 0.000 -1.317) 8.469 2.579 ( -7.746 0.000 0.566) 7.767 2.693 ( 4.997 0.000 4.673) 6.842 2.710 ( -3.202 0.000 1.286) 3.451 2.791 ( 8.094 0.000 -0.353) 8.102 2.833 ( -18.409 0.000 -6.793) 19.623 2.885 ( 4.801 0.000 3.214) 5.778 2.915 ( -1.443 0.000 -3.558) 3.839 2.999 ( -3.316 0.000 -0.023) 3.316 3.031 ( -0.375 0.000 -0.944) 1.015 3.120 ( -13.188 0.000 -4.418) 13.909 3.234 ( -6.204 0.000 -3.625) 7.185 3.354 ( -1.946 0.000 -1.542) 2.483 3.365 ( -12.787 0.000 3.506) 13.259 3.575 ( 1.183 0.000 -4.277) 4.438 3.589 ( 0.381 0.000 -0.994) 1.064 3.710 ( 6.676 0.000 1.540) 6.851 3.809 ( 2.000 0.000 -0.045) 2.001 3.824 ( 5.858 0.000 1.906) 6.161 3.990 ( 4.994 0.000 -0.852) 5.066 4.012 ( 19.533 0.000 6.619) 20.624 4.040 ( 2.317 0.000 2.825) 3.654 4.055 ( 1.788 0.000 -0.359) 1.824 4.077 ( 4.331 0.000 3.067) 5.306 4.214 ( -0.648 0.000 1.281) 1.435 4.219 ( 3.178 0.000 -4.568) 5.565 4.322 ( -3.207 0.000 0.668) 3.276 4.408 ( 0.735 0.000 1.981) 2.113 4.432 ( 8.175 0.000 2.859) 8.661 4.528 ( -1.695 0.000 1.438) 2.223 4.596 ( 3.125 0.000 -2.141) 3.788 4.605 ( 0.045 0.000 1.470) 1.470 4.650 ( 2.646 0.000 1.576) 3.080 4.754 ( 3.434 0.000 1.944) 3.946 4.840 ( -1.796 0.000 -4.433) 4.783 4.986 ( -6.342 0.000 3.078) 7.049 5.001 ( 0.751 0.000 0.092) 0.757 5.036 ( 0.851 0.000 -1.024) 1.331 5.136 ( 8.853 0.000 0.770) 8.886 5.199 ( 2.524 0.000 -8.820) 9.174 5.205 ( 4.456 0.000 -2.356) 5.040 5.304 ( -1.173 0.000 0.920) 1.491 5.382 ( -4.348 0.000 -5.916) 7.342 5.434 ( 6.115 0.000 -6.577) 8.980 5.495 ( -5.608 0.000 1.241) 5.743 5.552 ( -0.804 0.000 10.106) 10.138 5.568 ( -11.062 0.000 -3.075) 11.481 5.722 ( -2.995 0.000 0.795) 3.098 5.896 ( 0.502 0.000 6.274) 6.294 5.913 ( -3.223 0.000 2.020) 3.804 5.985 ( -2.820 0.000 1.573) 3.229 6.040 ( -3.312 0.000 -7.556) 8.250 6.202 ( 2.194 0.000 5.723) 6.129 6.313 ( 4.945 0.000 -5.895) 7.695 6.498 ( -4.431 0.000 8.430) 9.524 6.536 ( 2.607 0.000 -2.900) 3.900 6.554 ( 3.949 0.000 0.283) 3.959 6.621 ( 0.932 0.000 -4.175) 4.278 6.691 ( 3.511 0.000 -4.262) 5.522 6.813 ( -0.773 0.000 -2.238) 2.368 6.825 ( -9.243 0.000 -5.338) 10.674 6.864 ( 0.564 0.000 2.486) 2.549 6.908 ( -0.789 0.000 3.739) 3.821 7.046 ( 6.328 0.000 -3.496) 7.230 7.104 ( 9.806 0.000 10.621) 14.456 7.193 ( 0.242 0.000 -2.481) 2.492 7.266 ( -6.312 0.000 6.683) 9.193 7.292 ( -3.165 0.000 -4.103) 5.182 7.347 ( -4.344 0.000 3.580) 5.629 7.372 ( -2.671 0.000 -1.244) 2.947 7.430 ( -0.625 0.000 -4.389) 4.434 7.532 ( 3.429 0.000 3.285) 4.749 7.577 ( -3.251 0.000 1.205) 3.467 7.638 ( -1.008 0.000 -2.216) 2.434 7.788 ( -5.130 0.000 -1.993) 5.503 7.800 ( -15.091 0.000 -2.638) 15.320 7.936 ( -4.944 0.000 2.344) 5.471 8.041 ( 1.511 0.000 -4.366) 4.620 8.157 ( -5.227 0.000 4.776) 7.081 8.226 ( 3.651 0.000 3.439) 5.016 8.424 ( -6.426 0.000 -2.783) 7.003 8.430 ( 6.181 0.000 0.884) 6.244 8.455 ( -1.870 0.000 -3.922) 4.344 8.731 ( -4.727 0.000 -0.120) 4.729 8.763 ( -1.977 0.000 2.677) 3.328 8.824 ( -0.285 0.000 -0.448) 0.531 9.104 ( 6.729 0.000 -3.094) 7.406 9.149 ( -2.374 0.000 6.008) 6.460 9.224 ( -3.121 0.000 -2.624) 4.078 9.291 ( 3.863 0.000 2.946) 4.858 9.423 ( 3.122 0.000 -0.519) 3.165 9.442 ( 1.697 0.000 -2.628) 3.128 9.506 ( 1.847 0.000 1.571) 2.424 9.613 ( 3.754 0.000 -1.220) 3.947 9.682 ( 0.127 0.000 -0.161) 0.205 9.757 ( 7.394 0.000 0.717) 7.428 9.883 ( -0.374 0.000 -4.706) 4.721 9.963 ( -7.919 0.000 3.853) 8.806 10.046 ( 1.630 0.000 2.316) 2.832 10.244 ( -2.747 0.000 2.464) 3.690 10.355 ( 2.885 0.000 -1.845) 3.425 10.406 ( 1.214 0.000 1.021) 1.586 10.442 ( 5.437 0.000 -1.012) 5.530 10.464 ( -2.859 0.000 1.505) 3.231 10.545 ( 1.330 0.000 -5.108) 5.279 10.678 ( 2.165 0.000 -2.660) 3.430 10.718 ( 5.781 0.000 -0.185) 5.784 10.727 ( -1.048 0.000 -0.626) 1.220 10.756 ( 0.173 0.000 -2.724) 2.730 10.807 ( -0.613 0.000 2.808) 2.874 10.892 ( -0.451 0.000 1.818) 1.873 10.904 ( -3.300 0.000 -2.985) 4.450 10.949 ( 0.162 0.000 -1.241) 1.251 11.014 ( -0.692 0.000 -1.771) 1.902 11.048 ( -7.233 0.000 4.622) 8.584 11.144 ( 1.859 0.000 1.810) 2.595 11.218 ( -2.314 0.000 1.068) 2.548 11.219 ( 0.163 0.000 -0.871) 0.886 11.306 ( -1.082 0.000 -2.649) 2.862 11.651 ( 1.076 0.000 -1.401) 1.766 11.759 ( 0.883 0.000 7.651) 7.702 11.796 ( 2.960 0.000 1.227) 3.204 11.818 ( 3.157 0.000 0.801) 3.257 11.940 ( 2.962 0.000 -2.950) 4.180 11.965 ( -3.259 0.000 -2.487) 4.100 12.055 ( -4.316 0.000 1.457) 4.555 12.137 ( 1.605 0.000 0.981) 1.881 12.194 ( 0.364 0.000 -8.781) 8.789 12.439 ( 2.210 0.000 7.047) 7.385 12.485 ( 0.802 0.000 -3.330) 3.425 12.520 ( -4.074 0.000 -0.142) 4.077 12.826 ( -2.303 0.000 -2.306) 3.259 13.480 ( 1.286 0.000 -0.132) 1.293 13.859 ( -1.231 0.000 0.137) 1.239 13.887 ( 0.282 0.000 -1.597) 1.622 14.096 ( -2.459 0.000 -1.313) 2.788 14.150 ( 0.553 0.000 1.494) 1.593 14.294 ( 1.314 0.000 1.162) 1.754 14.592 ( 0.452 0.000 2.497) 2.538 14.668 ( -0.232 0.000 0.343) 0.414 14.960 ( -2.119 0.000 -3.934) 4.468 14.972 ( 1.504 0.000 -0.471) 1.576 15.116 ( 2.046 0.000 -2.258) 3.047 15.429 ( -0.928 0.000 0.091) 0.932 15.606 ( 3.010 0.000 3.317) 4.479 15.754 ( -2.637 0.000 12.412) 12.689 15.787 ( 2.420 0.000 -7.579) 7.956 16.253 ( -0.800 0.000 -1.257) 1.490 17.670 ( 1.871 0.000 -0.940) 2.094 17.917 ( 3.436 0.000 3.181) 4.683 18.218 ( 1.232 0.000 -0.477) 1.321 18.242 ( -2.801 0.000 -3.675) 4.621 18.500 ( 0.821 0.000 0.544) 0.985 18.661 ( 0.546 0.000 -1.760) 1.843 18.943 ( 1.814 0.000 -2.892) 3.414 19.293 ( 3.676 0.000 -0.871) 3.778 19.458 ( 4.611 0.000 -2.151) 5.088 19.785 ( 5.662 0.000 3.427) 6.618 19.869 ( -0.398 0.000 -0.898) 0.982 20.009 ( 6.632 0.000 4.442) 7.982 20.020 ( -4.121 0.000 -0.334) 4.134 20.222 ( -6.320 0.000 -3.054) 7.019 20.269 ( 4.353 0.000 1.275) 4.536 20.341 ( 2.482 0.000 -1.235) 2.773 20.702 ( -13.229 0.000 -2.540) 13.471 20.733 ( 8.202 0.000 -0.521) 8.218 20.903 ( -5.354 0.000 7.530) 9.239 20.908 ( -9.681 0.000 2.703) 10.052 21.499 ( -2.344 0.000 -0.460) 2.388 21.559 ( -2.989 0.000 -1.673) 3.425 21.744 ( 1.460 0.000 1.673) 2.220 22.041 ( -2.547 0.000 -0.248) 2.559 23.306 ( 1.329 0.000 -0.055) 1.330 23.349 ( -0.604 0.000 -1.096) 1.251 23.366 ( 1.270 0.000 0.249) 1.294 23.483 ( 1.840 0.000 0.653) 1.953 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.000 33.496 0.000) 33.496 0.674 ( 0.000 34.961 0.000) 34.961 1.218 ( 0.000 61.677 0.000) 61.677 2.114 ( 0.000 -1.727 0.000) 1.727 2.383 ( 0.000 -2.313 0.000) 2.313 2.410 ( 0.000 -17.966 0.000) 17.966 2.436 ( 0.000 -1.851 0.000) 1.851 2.607 ( 0.000 1.915 0.000) 1.915 2.763 ( 0.000 -0.996 0.000) 0.996 2.814 ( 0.000 -0.985 0.000) 0.985 2.933 ( 0.000 -0.931 0.000) 0.931 2.979 ( 0.000 -0.421 0.000) 0.421 3.114 ( 0.000 -2.310 0.000) 2.310 3.246 ( 0.000 1.678 0.000) 1.678 3.264 ( 0.000 -3.890 0.000) 3.890 3.326 ( 0.000 -8.098 0.000) 8.098 3.369 ( 0.000 -0.432 0.000) 0.432 3.374 ( 0.000 0.770 0.000) 0.770 3.548 ( 0.000 7.790 0.000) 7.790 3.597 ( 0.000 -11.289 0.000) 11.289 3.663 ( 0.000 8.545 0.000) 8.545 3.680 ( 0.000 1.760 0.000) 1.760 3.762 ( 0.000 3.088 0.000) 3.088 3.909 ( 0.000 10.641 0.000) 10.641 3.955 ( 0.000 7.170 0.000) 7.170 3.986 ( 0.000 0.685 0.000) 0.685 4.070 ( 0.000 6.076 0.000) 6.076 4.148 ( 0.000 1.889 0.000) 1.889 4.186 ( 0.000 6.540 0.000) 6.540 4.187 ( 0.000 12.656 0.000) 12.656 4.351 ( 0.000 0.794 0.000) 0.794 4.364 ( 0.000 -2.348 0.000) 2.348 4.390 ( 0.000 -2.408 0.000) 2.408 4.424 ( 0.000 -2.930 0.000) 2.930 4.478 ( 0.000 -2.435 0.000) 2.435 4.495 ( 0.000 -4.952 0.000) 4.952 4.559 ( 0.000 4.805 0.000) 4.805 4.638 ( 0.000 -7.552 0.000) 7.552 4.685 ( 0.000 -5.895 0.000) 5.895 4.704 ( 0.000 -0.316 0.000) 0.316 4.830 ( 0.000 -1.935 0.000) 1.935 4.947 ( 0.000 -5.850 0.000) 5.850 5.025 ( 0.000 2.964 0.000) 2.964 5.122 ( 0.000 -13.925 0.000) 13.925 5.138 ( 0.000 -1.697 0.000) 1.697 5.145 ( 0.000 -9.472 0.000) 9.472 5.208 ( 0.000 6.700 0.000) 6.700 5.314 ( 0.000 -3.514 0.000) 3.514 5.353 ( 0.000 3.889 0.000) 3.889 5.388 ( 0.000 -5.065 0.000) 5.065 5.442 ( 0.000 -1.778 0.000) 1.778 5.645 ( 0.000 -3.873 0.000) 3.873 5.929 ( 0.000 2.680 0.000) 2.680 6.025 ( 0.000 3.841 0.000) 3.841 6.074 ( 0.000 -1.160 0.000) 1.160 6.142 ( 0.000 2.188 0.000) 2.188 6.335 ( 0.000 3.628 0.000) 3.628 6.425 ( 0.000 -2.002 0.000) 2.002 6.432 ( 0.000 3.168 0.000) 3.168 6.594 ( 0.000 -0.580 0.000) 0.580 6.668 ( 0.000 1.523 0.000) 1.523 6.737 ( 0.000 -4.773 0.000) 4.773 6.815 ( 0.000 -1.722 0.000) 1.722 6.841 ( 0.000 -2.250 0.000) 2.250 6.881 ( 0.000 -1.180 0.000) 1.180 6.946 ( 0.000 1.755 0.000) 1.755 7.035 ( 0.000 -7.546 0.000) 7.546 7.179 ( 0.000 2.619 0.000) 2.619 7.284 ( 0.000 0.218 0.000) 0.218 7.319 ( 0.000 0.441 0.000) 0.441 7.353 ( 0.000 -0.171 0.000) 0.171 7.420 ( 0.000 1.410 0.000) 1.410 7.449 ( 0.000 1.852 0.000) 1.852 7.462 ( 0.000 6.804 0.000) 6.804 7.634 ( 0.000 -1.261 0.000) 1.261 7.749 ( 0.000 -4.013 0.000) 4.013 7.770 ( 0.000 3.587 0.000) 3.587 7.790 ( 0.000 -6.173 0.000) 6.173 7.908 ( 0.000 13.329 0.000) 13.329 8.079 ( 0.000 -7.207 0.000) 7.207 8.119 ( 0.000 -1.905 0.000) 1.905 8.331 ( 0.000 1.709 0.000) 1.709 8.417 ( 0.000 4.235 0.000) 4.235 8.456 ( 0.000 5.583 0.000) 5.583 8.530 ( 0.000 -1.616 0.000) 1.616 8.624 ( 0.000 -3.642 0.000) 3.642 8.688 ( 0.000 -4.338 0.000) 4.338 8.732 ( 0.000 0.367 0.000) 0.367 8.813 ( 0.000 1.746 0.000) 1.746 8.968 ( 0.000 -2.540 0.000) 2.540 9.031 ( 0.000 -3.068 0.000) 3.068 9.084 ( 0.000 1.322 0.000) 1.322 9.164 ( 0.000 -2.886 0.000) 2.886 9.199 ( 0.000 4.059 0.000) 4.059 9.252 ( 0.000 2.548 0.000) 2.548 9.348 ( 0.000 -1.834 0.000) 1.834 9.387 ( 0.000 -2.462 0.000) 2.462 9.390 ( 0.000 -1.509 0.000) 1.509 9.421 ( 0.000 6.662 0.000) 6.662 9.635 ( 0.000 0.690 0.000) 0.690 9.645 ( 0.000 11.714 0.000) 11.714 10.087 ( 0.000 -4.164 0.000) 4.164 10.142 ( 0.000 -3.692 0.000) 3.692 10.240 ( 0.000 -6.468 0.000) 6.468 10.258 ( 0.000 0.586 0.000) 0.586 10.331 ( 0.000 -6.321 0.000) 6.321 10.394 ( 0.000 2.676 0.000) 2.676 10.466 ( 0.000 0.805 0.000) 0.805 10.472 ( 0.000 2.657 0.000) 2.657 10.555 ( 0.000 4.776 0.000) 4.776 10.585 ( 0.000 -1.277 0.000) 1.277 10.628 ( 0.000 0.720 0.000) 0.720 10.647 ( 0.000 -0.873 0.000) 0.873 10.801 ( 0.000 -2.739 0.000) 2.739 10.883 ( 0.000 -3.300 0.000) 3.300 10.902 ( 0.000 1.151 0.000) 1.151 10.981 ( 0.000 3.212 0.000) 3.212 10.985 ( 0.000 1.609 0.000) 1.609 11.061 ( 0.000 -1.092 0.000) 1.092 11.210 ( 0.000 1.896 0.000) 1.896 11.233 ( 0.000 -4.268 0.000) 4.268 11.283 ( 0.000 -2.613 0.000) 2.613 11.357 ( 0.000 -1.233 0.000) 1.233 11.442 ( 0.000 -4.058 0.000) 4.058 11.514 ( 0.000 2.612 0.000) 2.612 11.590 ( 0.000 -0.231 0.000) 0.231 11.626 ( 0.000 4.301 0.000) 4.301 11.985 ( 0.000 6.193 0.000) 6.193 12.044 ( 0.000 -0.124 0.000) 0.124 12.141 ( 0.000 -4.921 0.000) 4.921 12.207 ( 0.000 -4.297 0.000) 4.297 12.266 ( 0.000 -2.428 0.000) 2.428 12.363 ( 0.000 4.438 0.000) 4.438 12.570 ( 0.000 7.208 0.000) 7.208 12.821 ( 0.000 -0.054 0.000) 0.054 12.883 ( 0.000 -5.169 0.000) 5.169 13.343 ( 0.000 7.634 0.000) 7.634 13.775 ( 0.000 -6.312 0.000) 6.312 13.989 ( 0.000 -2.413 0.000) 2.413 14.044 ( 0.000 -2.880 0.000) 2.880 14.183 ( 0.000 -1.435 0.000) 1.435 14.458 ( 0.000 -3.075 0.000) 3.075 14.511 ( 0.000 0.786 0.000) 0.786 14.528 ( 0.000 -1.107 0.000) 1.107 14.674 ( 0.000 5.278 0.000) 5.278 14.867 ( 0.000 1.591 0.000) 1.591 15.160 ( 0.000 -4.638 0.000) 4.638 15.282 ( 0.000 -1.472 0.000) 1.472 15.586 ( 0.000 5.012 0.000) 5.012 15.687 ( 0.000 -0.355 0.000) 0.355 15.836 ( 0.000 8.100 0.000) 8.100 16.301 ( 0.000 -4.235 0.000) 4.235 17.673 ( 0.000 2.375 0.000) 2.375 17.730 ( 0.000 3.908 0.000) 3.908 17.922 ( 0.000 -3.187 0.000) 3.187 18.027 ( 0.000 -3.654 0.000) 3.654 18.562 ( 0.000 7.585 0.000) 7.585 18.832 ( 0.000 2.733 0.000) 2.733 18.907 ( 0.000 4.438 0.000) 4.438 19.037 ( 0.000 -3.444 0.000) 3.444 19.141 ( 0.000 -10.419 0.000) 10.419 19.399 ( 0.000 -1.077 0.000) 1.077 19.783 ( 0.000 4.524 0.000) 4.524 20.032 ( 0.000 -3.712 0.000) 3.712 20.081 ( 0.000 0.586 0.000) 0.586 20.140 ( 0.000 1.150 0.000) 1.150 20.353 ( 0.000 -1.006 0.000) 1.006 20.405 ( 0.000 -3.432 0.000) 3.432 20.870 ( 0.000 3.506 0.000) 3.506 21.211 ( 0.000 0.570 0.000) 0.570 21.226 ( 0.000 -3.985 0.000) 3.985 21.323 ( 0.000 -8.606 0.000) 8.606 21.695 ( 0.000 5.461 0.000) 5.461 21.798 ( 0.000 11.666 0.000) 11.666 21.870 ( 0.000 -0.750 0.000) 0.750 22.384 ( 0.000 -5.749 0.000) 5.749 23.168 ( 0.000 0.888 0.000) 0.888 23.240 ( 0.000 -0.834 0.000) 0.834 23.265 ( 0.000 1.062 0.000) 1.062 23.358 ( 0.000 -1.207 0.000) 1.207 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 23.265 22.792 3.467) 32.753 1.082 ( 24.729 25.138 9.033) 36.401 1.677 ( 37.459 35.928 17.443) 54.756 2.180 ( 6.187 -0.148 1.506) 6.369 2.348 ( -1.957 -6.205 -6.436) 9.152 2.432 ( -0.378 -4.102 7.864) 8.877 2.552 ( 8.744 -1.066 -10.299) 13.552 2.581 ( 5.138 -1.427 6.402) 8.332 2.786 ( 0.142 -4.530 2.460) 5.157 2.861 ( 0.787 -5.666 -1.624) 5.947 2.907 ( -2.958 -1.921 1.178) 3.719 3.018 ( 3.411 0.208 0.263) 3.428 3.119 ( 1.609 -0.251 -4.117) 4.428 3.187 ( -4.095 -5.422 -3.204) 7.513 3.296 ( -2.804 4.949 -4.087) 7.004 3.316 ( 1.390 -0.541 -8.480) 8.610 3.366 ( 3.721 -0.946 -0.244) 3.847 3.476 ( 1.666 -3.016 9.740) 10.331 3.526 ( -0.100 -1.575 2.853) 3.261 3.597 ( 0.710 3.696 -0.646) 3.819 3.646 ( -3.164 -2.841 -2.238) 4.805 3.677 ( 1.382 -6.140 0.428) 6.308 3.785 ( 4.968 4.865 2.233) 7.303 3.832 ( 0.720 4.521 1.247) 4.745 3.944 ( -1.117 4.736 -2.613) 5.523 4.026 ( -2.989 9.454 -7.260) 12.289 4.064 ( -3.369 6.007 0.094) 6.888 4.168 ( -3.137 6.171 -0.439) 6.937 4.198 ( -4.886 1.621 -0.038) 5.148 4.222 ( 7.647 3.827 3.552) 9.259 4.271 ( 0.769 1.043 -5.808) 5.951 4.346 ( -3.166 2.040 2.180) 4.352 4.387 ( -4.070 3.274 0.272) 5.230 4.414 ( 3.379 -4.113 -2.413) 5.844 4.478 ( -2.057 -0.096 3.883) 4.396 4.510 ( 4.674 -4.471 -0.314) 6.476 4.593 ( 5.101 -3.502 -0.953) 6.260 4.633 ( 1.118 -4.079 -0.903) 4.324 4.665 ( 5.027 1.478 1.603) 5.479 4.781 ( 2.378 1.535 -2.308) 3.652 4.862 ( 2.042 -3.106 2.329) 4.387 4.953 ( 1.399 -2.739 1.771) 3.549 5.083 ( 0.563 1.923 2.177) 2.958 5.108 ( 0.056 -6.490 -0.580) 6.516 5.149 ( 4.101 0.118 0.303) 4.114 5.214 ( 1.103 -1.129 -1.820) 2.409 5.283 ( 5.232 -9.266 -3.343) 11.154 5.351 ( 4.717 -2.074 3.041) 5.983 5.410 ( 9.601 -8.492 1.231) 12.876 5.472 ( 3.599 -4.731 -2.697) 6.527 5.517 ( 6.049 1.267 -0.582) 6.207 5.705 ( 3.109 -0.528 10.235) 10.710 5.894 ( -3.232 2.624 1.705) 4.499 6.010 ( -3.254 1.856 5.492) 6.648 6.106 ( 0.314 -0.554 -4.228) 4.275 6.156 ( 2.301 3.200 -2.455) 4.644 6.277 ( -4.583 1.599 -4.213) 6.427 6.300 ( -6.751 -1.695 2.696) 7.465 6.416 ( -1.484 2.602 0.838) 3.110 6.532 ( -3.912 1.050 -11.208) 11.917 6.635 ( -0.060 -1.857 0.322) 1.885 6.697 ( -1.232 -5.410 -2.395) 6.043 6.804 ( -3.668 -5.642 1.622) 6.922 6.841 ( -0.783 -1.951 -3.830) 4.369 6.922 ( 1.367 -2.337 3.281) 4.254 6.937 ( -0.379 8.234 0.918) 8.294 6.999 ( -6.380 -2.849 2.484) 7.416 7.127 ( -6.170 2.246 0.573) 6.591 7.181 ( -2.965 4.875 -0.410) 5.720 7.305 ( -2.983 0.948 -10.162) 10.633 7.322 ( -1.274 1.917 -2.286) 3.244 7.376 ( -3.151 0.291 2.761) 4.200 7.482 ( 2.010 2.049 6.587) 7.185 7.482 ( -1.448 4.046 3.309) 5.424 7.570 ( -6.231 0.034 4.103) 7.461 7.602 ( -9.368 -5.072 -2.812) 11.018 7.737 ( -3.921 -0.219 4.508) 5.979 7.875 ( 3.176 3.643 1.306) 5.006 7.917 ( -1.493 3.509 -2.518) 4.570 8.026 ( -3.114 -2.255 -4.183) 5.681 8.146 ( 2.046 -1.771 2.678) 3.807 8.228 ( -5.762 -2.748 1.268) 6.508 8.331 ( -11.175 3.982 -4.013) 12.524 8.425 ( -5.931 0.436 3.316) 6.809 8.479 ( 0.076 6.659 -4.869) 8.250 8.569 ( -2.995 3.850 2.847) 5.647 8.635 ( 6.886 -3.538 -1.191) 7.833 8.698 ( -9.624 9.712 -4.927) 14.533 8.865 ( 6.015 1.366 -1.138) 6.272 8.893 ( -3.970 -5.375 -0.853) 6.736 8.981 ( -3.674 -2.694 2.476) 5.185 9.074 ( 1.142 1.368 -0.287) 1.805 9.165 ( 1.371 -0.756 0.931) 1.821 9.241 ( 1.250 -1.111 -3.414) 3.801 9.256 ( 3.629 0.555 -0.460) 3.700 9.290 ( 0.902 -0.173 4.408) 4.503 9.385 ( 2.218 6.441 7.182) 9.899 9.451 ( 4.250 3.081 1.224) 5.390 9.518 ( 7.342 1.687 1.929) 7.777 9.620 ( -0.489 2.861 -0.663) 2.978 9.902 ( 5.912 -0.877 0.011) 5.977 10.027 ( -2.777 -1.277 -1.113) 3.253 10.094 ( 3.606 -3.702 -11.404) 12.520 10.238 ( -1.155 -3.094 -1.852) 3.786 10.294 ( -1.929 -2.531 1.768) 3.641 10.334 ( 0.955 -3.475 -0.700) 3.671 10.419 ( -3.160 1.754 -0.077) 3.615 10.477 ( 1.115 0.320 2.000) 2.312 10.526 ( -1.429 3.710 -2.987) 4.973 10.572 ( 5.743 -2.698 -1.702) 6.569 10.654 ( 2.987 -1.802 0.384) 3.509 10.662 ( 2.664 -1.386 0.625) 3.067 10.735 ( 6.353 -2.490 4.377) 8.107 10.775 ( -0.098 -2.450 -2.561) 3.546 10.892 ( -1.489 -0.420 -4.428) 4.690 10.904 ( -0.124 -0.270 1.293) 1.326 11.026 ( -0.558 2.131 5.069) 5.527 11.040 ( 2.914 -4.194 -3.053) 5.950 11.107 ( 1.631 1.845 1.969) 3.153 11.194 ( 0.123 0.205 -3.626) 3.633 11.230 ( 0.414 -2.528 -0.506) 2.611 11.292 ( 1.251 -7.843 -1.338) 8.054 11.344 ( -0.995 -2.591 4.249) 5.075 11.463 ( 0.891 -6.104 1.051) 6.257 11.574 ( 1.633 1.642 4.840) 5.366 11.595 ( 3.502 -0.704 -1.564) 3.900 11.644 ( 3.658 3.526 -2.289) 5.572 11.942 ( 0.459 5.378 -4.889) 7.282 12.055 ( -2.222 -5.367 -0.735) 5.855 12.185 ( -1.376 -3.564 -1.662) 4.167 12.196 ( 2.893 -1.953 -3.843) 5.192 12.254 ( -0.589 -2.167 0.437) 2.288 12.362 ( -0.119 5.935 0.917) 6.007 12.558 ( -0.784 6.506 -0.184) 6.555 12.793 ( -2.783 -0.701 -3.293) 4.368 12.898 ( 0.920 -3.112 -1.531) 3.588 13.379 ( 2.755 2.372 0.508) 3.671 13.791 ( 0.546 -6.919 1.767) 7.162 13.961 ( -1.435 -1.014 -2.146) 2.773 14.046 ( -0.456 -5.279 2.002) 5.664 14.184 ( -0.196 -0.529 1.481) 1.584 14.371 ( -5.309 1.120 -7.000) 8.856 14.403 ( 0.207 -3.462 -3.899) 5.218 14.597 ( 2.191 -4.658 2.193) 5.595 14.871 ( 2.997 2.610 14.085) 14.635 14.956 ( 11.035 0.075 -4.721) 12.003 15.105 ( -1.688 -1.796 -4.805) 5.400 15.296 ( 1.696 -0.857 1.199) 2.247 15.601 ( -1.305 3.720 4.298) 5.832 15.718 ( -1.223 -0.590 9.077) 9.178 15.814 ( -0.549 8.291 -0.106) 8.310 16.293 ( -0.762 -3.972 -1.009) 4.169 17.663 ( 0.279 7.102 -0.663) 7.139 17.727 ( 2.866 3.818 2.362) 5.326 18.028 ( 4.532 -6.943 -2.203) 8.579 18.136 ( 8.890 -10.318 -3.227) 13.997 18.564 ( 0.235 8.341 -0.403) 8.354 18.845 ( 1.978 8.278 -6.481) 10.698 18.880 ( 1.422 0.727 -2.454) 2.928 19.138 ( 9.627 -3.377 -6.246) 11.962 19.231 ( 6.503 -10.307 4.386) 12.952 19.337 ( -3.121 1.606 -5.204) 6.277 19.813 ( 3.204 4.629 -0.537) 5.655 19.918 ( -3.146 16.275 -9.831) 19.272 20.087 ( 4.022 -4.901 -0.180) 6.343 20.186 ( 2.279 -1.129 0.830) 2.675 20.324 ( -2.410 -1.677 -0.183) 2.941 20.366 ( -1.886 -1.764 -1.101) 2.807 20.814 ( -11.782 -3.135 25.819) 28.553 20.941 ( -16.256 -1.832 0.248) 16.361 21.212 ( -7.350 -0.959 4.531) 8.687 21.328 ( -3.413 -6.016 0.373) 6.927 21.636 ( -3.949 5.035 -3.904) 7.496 21.779 ( -2.652 4.071 -1.210) 5.007 21.834 ( -3.840 4.747 3.170) 6.880 22.222 ( -8.210 2.084 1.647) 8.629 23.240 ( 4.221 -0.725 -0.232) 4.289 23.269 ( 1.147 0.536 -0.498) 1.360 23.292 ( 4.245 -0.722 0.965) 4.413 23.358 ( 0.465 -0.991 -1.229) 1.646 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 26.316 12.696 5.261) 29.688 1.643 ( 26.721 15.905 10.332) 32.768 2.287 ( 2.956 -1.517 -8.255) 8.898 2.321 ( 8.991 -1.235 0.121) 9.076 2.487 ( 18.099 6.965 10.418) 22.014 2.518 ( 3.427 -3.345 7.521) 8.916 2.649 ( 5.329 0.485 0.689) 5.396 2.719 ( 4.345 3.618 -7.785) 9.621 2.747 ( -0.519 -1.202 1.621) 2.084 2.838 ( -4.264 -2.447 0.734) 4.970 2.925 ( 6.699 -4.680 1.880) 8.385 3.041 ( -5.481 -0.942 -5.987) 8.171 3.061 ( -3.339 -3.179 1.385) 4.814 3.076 ( -2.249 -3.978 -2.467) 5.193 3.121 ( -7.198 2.004 -5.565) 9.316 3.305 ( 2.624 -4.504 -7.179) 8.873 3.426 ( -3.917 -3.751 -3.674) 6.551 3.510 ( 4.908 -2.279 1.035) 5.510 3.595 ( 4.024 3.528 -4.036) 6.703 3.612 ( -0.919 -0.145 4.478) 4.574 3.636 ( -3.498 -2.832 -0.985) 4.607 3.710 ( -6.457 1.873 0.858) 6.778 3.809 ( 2.777 0.945 4.477) 5.352 3.857 ( 7.167 1.983 1.658) 7.619 3.875 ( -5.798 6.080 0.037) 8.401 3.964 ( 3.747 3.602 8.208) 9.715 4.040 ( 4.182 11.327 -5.442) 13.244 4.128 ( 1.053 7.732 -1.691) 7.984 4.216 ( 3.330 -2.444 -2.413) 4.784 4.227 ( 4.999 3.925 -1.248) 6.477 4.278 ( -3.608 0.753 -3.890) 5.359 4.360 ( 1.239 5.809 1.519) 6.131 4.434 ( 1.186 -2.536 4.314) 5.142 4.505 ( 5.272 2.169 5.887) 8.195 4.510 ( 4.972 0.001 -1.932) 5.334 4.552 ( 3.840 -3.855 -1.583) 5.667 4.637 ( 1.714 0.487 -3.105) 3.580 4.715 ( 1.270 1.613 3.274) 3.864 4.802 ( 5.758 -0.680 0.339) 5.808 4.870 ( 4.197 -1.149 2.043) 4.808 4.900 ( 3.947 -4.658 2.626) 6.647 5.004 ( 3.750 5.991 -0.609) 7.094 5.110 ( 2.759 -2.935 -2.881) 4.953 5.126 ( 2.112 -2.953 -1.964) 4.127 5.218 ( 0.752 -2.016 -2.475) 3.280 5.238 ( 6.293 6.732 -6.141) 11.074 5.326 ( 2.099 -5.695 -0.958) 6.145 5.439 ( -0.792 -5.377 2.028) 5.801 5.474 ( 3.089 -5.002 -1.357) 6.034 5.602 ( 2.553 0.808 3.047) 4.057 5.680 ( 10.211 -8.473 -0.193) 13.270 5.817 ( -8.182 4.213 -2.694) 9.589 5.827 ( 0.864 6.452 16.369) 17.616 6.006 ( 4.593 -0.969 6.862) 8.314 6.059 ( -1.279 1.016 -2.720) 3.173 6.098 ( -7.577 6.133 -6.724) 11.842 6.217 ( -0.420 -0.253 -3.565) 3.598 6.296 ( 2.469 -5.818 4.227) 7.604 6.411 ( -1.216 2.099 -2.480) 3.469 6.425 ( -1.000 -6.351 0.621) 6.460 6.492 ( -11.014 -1.961 -7.290) 13.353 6.678 ( 1.845 -2.759 -8.276) 8.917 6.741 ( 2.518 -1.592 -3.539) 4.626 6.764 ( -5.670 -3.797 -4.834) 8.363 6.882 ( -1.563 1.209 0.428) 2.022 6.917 ( -1.989 4.265 -0.309) 4.716 6.972 ( -1.404 -0.656 7.194) 7.359 7.019 ( -4.232 6.209 6.703) 10.069 7.123 ( -7.466 0.975 -5.654) 9.416 7.172 ( -1.044 1.760 -1.871) 2.773 7.276 ( -4.013 -3.957 0.076) 5.636 7.326 ( -4.088 -4.598 3.164) 6.918 7.368 ( -3.050 -0.998 -5.688) 6.531 7.475 ( -3.424 1.929 3.712) 5.406 7.507 ( -5.780 0.982 8.961) 10.708 7.569 ( -1.482 2.231 5.664) 6.266 7.676 ( -3.408 2.274 1.135) 4.251 7.751 ( -5.673 3.416 -3.345) 7.419 7.900 ( -8.668 -6.881 -2.984) 11.462 8.011 ( 0.739 -0.683 1.847) 2.103 8.049 ( -7.103 2.553 -4.233) 8.654 8.119 ( -3.542 0.075 -0.105) 3.545 8.215 ( -11.419 2.288 -0.809) 11.674 8.282 ( -0.136 -1.216 2.249) 2.560 8.391 ( -4.037 8.609 3.489) 10.128 8.531 ( -2.168 4.984 -6.863) 8.754 8.584 ( -4.536 -3.072 -0.341) 5.489 8.748 ( -3.554 -1.668 3.175) 5.049 8.805 ( 4.387 1.462 -0.083) 4.625 8.880 ( -2.927 1.167 -0.444) 3.182 9.013 ( 0.476 -1.960 -1.161) 2.327 9.099 ( 4.165 -0.751 2.559) 4.946 9.191 ( 2.273 -3.012 -2.653) 4.612 9.231 ( 0.486 -2.868 2.433) 3.792 9.338 ( 4.310 2.286 -1.155) 5.013 9.388 ( 6.631 2.295 0.960) 7.082 9.480 ( 2.442 4.402 3.396) 6.073 9.590 ( 4.851 4.532 1.121) 6.732 9.622 ( 3.314 0.955 1.976) 3.975 9.661 ( 4.554 1.442 0.678) 4.825 9.904 ( -1.830 -2.680 -6.496) 7.262 9.986 ( 0.095 0.169 4.744) 4.748 10.156 ( 3.859 -7.655 -5.971) 10.447 10.183 ( -4.676 4.525 1.246) 6.625 10.280 ( -0.186 -2.745 3.083) 4.132 10.341 ( 1.457 -2.075 -1.049) 2.743 10.405 ( 1.512 2.224 0.320) 2.709 10.480 ( -0.761 0.517 -2.909) 3.051 10.536 ( 4.856 3.205 1.026) 5.908 10.637 ( -0.782 -1.713 -6.148) 6.430 10.670 ( 4.879 0.042 -3.173) 5.820 10.720 ( 2.592 -2.130 -1.123) 3.538 10.765 ( 1.302 0.325 -1.449) 1.975 10.834 ( -1.430 -1.258 2.242) 2.941 10.874 ( 0.938 -0.591 0.787) 1.360 10.916 ( 1.444 -0.307 1.363) 2.009 10.965 ( -2.950 -1.502 -6.860) 7.617 11.052 ( -1.006 2.332 2.735) 3.732 11.111 ( -0.708 1.880 2.537) 3.236 11.156 ( -4.162 -2.635 1.331) 5.103 11.228 ( -3.606 -0.282 -0.278) 3.628 11.276 ( 1.070 -0.941 1.522) 2.085 11.333 ( -2.091 -2.609 -1.150) 3.536 11.499 ( 1.888 -9.236 0.750) 9.456 11.633 ( 2.838 -2.204 2.477) 4.364 11.695 ( 5.763 -0.833 -0.574) 5.851 11.748 ( 5.610 2.001 2.371) 6.411 11.922 ( -0.443 -1.771 -3.508) 3.955 12.009 ( -0.723 1.035 -0.434) 1.335 12.139 ( -1.851 -1.117 -1.807) 2.818 12.169 ( -2.286 1.754 -0.612) 2.946 12.256 ( 1.436 -0.632 -4.451) 4.719 12.372 ( -0.500 4.615 3.647) 5.903 12.552 ( 0.910 6.233 -1.887) 6.576 12.681 ( -5.373 1.067 -2.816) 6.159 12.872 ( -1.619 -1.748 -4.691) 5.261 13.443 ( 3.025 1.753 0.940) 3.621 13.797 ( -0.732 -6.628 0.186) 6.671 13.921 ( -1.297 -1.068 -1.731) 2.412 14.060 ( 0.560 -6.971 3.420) 7.785 14.192 ( -0.297 -0.447 0.992) 1.128 14.241 ( -4.148 1.583 -2.985) 5.350 14.425 ( 2.581 -7.708 -0.060) 8.129 14.618 ( -0.927 -7.245 0.208) 7.307 14.965 ( 1.414 4.575 1.765) 5.104 15.032 ( 1.725 1.480 -5.047) 5.535 15.127 ( 3.377 2.309 -0.055) 4.091 15.386 ( 4.886 -3.925 4.938) 7.979 15.584 ( -1.225 5.951 0.458) 6.093 15.743 ( -2.725 1.319 13.571) 13.904 15.831 ( 2.580 5.846 -3.745) 7.407 16.262 ( -1.323 -3.243 -1.604) 3.852 17.698 ( 3.295 7.266 -1.826) 8.185 17.826 ( 4.547 2.690 4.211) 6.756 18.100 ( 3.839 -6.399 -1.405) 7.593 18.214 ( 1.911 -8.648 -4.285) 9.838 18.568 ( 0.382 9.349 0.203) 9.359 18.824 ( -1.275 10.131 0.726) 10.236 18.930 ( 5.857 2.438 -10.616) 12.367 19.233 ( 1.649 -0.522 -4.480) 4.802 19.311 ( 8.246 -0.978 -4.582) 9.484 19.446 ( 9.242 -11.762 6.637) 16.365 19.874 ( 3.598 4.279 -4.208) 6.997 19.926 ( 4.616 8.671 4.460) 10.788 20.115 ( -4.414 -4.656 -1.319) 6.550 20.204 ( 1.252 -1.747 -1.425) 2.579 20.296 ( 1.386 0.140 -1.892) 2.350 20.367 ( 0.536 1.789 -0.015) 1.868 20.656 ( -8.694 -3.600 0.622) 9.431 20.756 ( -8.853 -8.752 17.225) 21.252 21.063 ( -10.866 -0.746 4.319) 11.717 21.149 ( -12.781 0.450 0.095) 12.790 21.548 ( -3.293 0.496 -1.887) 3.828 21.667 ( -5.663 -0.635 -4.214) 7.087 21.802 ( -1.756 8.075 4.077) 9.215 22.110 ( -5.097 -0.625 0.490) 5.159 23.285 ( 1.433 0.658 -0.837) 1.786 23.317 ( 3.052 -0.058 0.367) 3.074 23.359 ( 0.604 -0.468 -1.481) 1.667 23.397 ( 4.619 -1.267 1.433) 5.000 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 19.002 6.309 5.085) 20.657 2.227 ( 24.603 5.301 8.657) 26.615 2.342 ( 4.489 -1.412 -1.610) 4.973 2.427 ( 3.001 0.125 -4.656) 5.541 2.446 ( -9.718 -2.230 -2.477) 10.273 2.618 ( -3.127 -1.147 -0.365) 3.351 2.673 ( 1.244 0.700 1.134) 1.824 2.743 ( -4.164 -2.724 -1.829) 5.301 2.777 ( -0.004 -2.416 -2.899) 3.774 2.827 ( 3.244 -0.840 0.211) 3.358 2.845 ( -0.056 -3.026 0.669) 3.099 2.943 ( -3.324 3.597 -3.304) 5.908 2.987 ( -8.271 -1.649 1.990) 8.666 3.032 ( -4.433 -1.448 0.201) 4.668 3.102 ( 2.405 0.458 -2.015) 3.171 3.158 ( -10.214 -4.450 -4.223) 11.914 3.281 ( -2.973 -2.030 -0.942) 3.721 3.458 ( -2.641 4.451 -1.811) 5.483 3.527 ( -2.529 1.776 -0.207) 3.097 3.652 ( -0.248 2.188 -0.951) 2.398 3.679 ( 2.676 -6.711 -1.817) 7.450 3.799 ( 2.125 3.487 0.867) 4.174 3.878 ( 9.479 -1.208 5.265) 10.910 4.007 ( 3.999 3.096 6.335) 8.106 4.033 ( -2.893 5.730 -0.084) 6.420 4.060 ( 5.795 1.924 3.505) 7.040 4.104 ( 1.962 3.514 -0.392) 4.044 4.160 ( 9.681 5.987 2.958) 11.760 4.218 ( 0.027 1.852 -5.508) 5.811 4.274 ( 7.376 4.904 -2.797) 9.289 4.341 ( -3.474 -3.778 1.839) 5.452 4.372 ( 4.545 -1.631 2.023) 5.235 4.493 ( 0.903 9.944 2.143) 10.212 4.531 ( 1.342 2.712 0.595) 3.084 4.612 ( 0.283 -1.064 -2.475) 2.708 4.619 ( 4.485 2.110 0.888) 5.035 4.689 ( 4.229 1.411 1.939) 4.861 4.748 ( 2.317 -1.218 0.981) 2.795 4.863 ( 0.412 0.386 -1.265) 1.386 4.928 ( 2.153 -4.536 1.314) 5.190 4.988 ( -0.705 -1.521 0.792) 1.854 5.040 ( -4.225 1.654 -0.190) 4.541 5.116 ( 5.791 2.265 -0.382) 6.230 5.158 ( 2.122 -5.723 -2.867) 6.744 5.238 ( 0.982 0.646 -0.209) 1.194 5.282 ( -3.223 -1.444 -4.493) 5.715 5.412 ( 10.200 5.250 -6.275) 13.076 5.441 ( -5.542 0.705 1.872) 5.892 5.530 ( 5.500 -0.095 3.172) 6.350 5.577 ( -4.938 3.787 -4.969) 7.964 5.631 ( -3.245 4.649 6.430) 8.572 5.763 ( -2.131 2.113 -2.490) 3.900 5.890 ( -6.041 -2.079 -1.481) 6.558 5.911 ( -5.680 0.996 -1.020) 5.856 6.052 ( 2.131 8.477 9.364) 12.810 6.066 ( -2.091 2.857 -4.607) 5.811 6.164 ( -0.120 -3.867 -0.156) 3.872 6.286 ( 3.823 -4.028 2.528) 6.101 6.379 ( 1.418 -7.731 1.594) 8.020 6.463 ( -1.797 -6.199 -9.871) 11.794 6.502 ( 2.635 -6.373 6.768) 9.663 6.574 ( 0.344 -1.491 -0.680) 1.675 6.719 ( 1.604 0.307 -8.395) 8.552 6.763 ( -1.339 -2.575 -1.759) 3.394 6.820 ( -8.050 -3.007 4.127) 9.533 6.902 ( 3.687 2.442 -1.973) 4.842 6.978 ( 0.613 4.840 -0.938) 4.968 7.032 ( 2.317 -4.322 -0.875) 4.981 7.076 ( 3.273 -2.640 8.207) 9.222 7.137 ( -0.471 -1.443 1.258) 1.971 7.219 ( -0.847 -5.629 -3.486) 6.675 7.264 ( -4.124 -1.004 -1.256) 4.426 7.326 ( -3.729 0.570 4.388) 5.787 7.383 ( -3.933 2.644 -0.373) 4.754 7.476 ( -0.433 -2.427 1.272) 2.774 7.526 ( -6.436 5.738 2.102) 8.875 7.627 ( -2.269 0.993 1.745) 3.030 7.647 ( 0.460 0.887 -2.921) 3.087 7.728 ( -5.010 -1.235 -0.608) 5.196 7.924 ( -3.808 8.069 -3.859) 9.721 7.963 ( -4.255 -2.041 0.205) 4.723 8.022 ( -4.193 2.496 1.212) 5.028 8.102 ( -0.318 -3.042 -0.285) 3.072 8.247 ( -2.387 -1.773 1.889) 3.522 8.414 ( -1.318 0.952 1.153) 1.993 8.468 ( -1.665 1.211 -2.608) 3.323 8.493 ( 1.881 4.287 -1.868) 5.040 8.684 ( -3.396 -2.010 0.739) 4.015 8.826 ( -1.014 0.863 -0.754) 1.530 8.832 ( -2.169 4.306 1.820) 5.154 9.075 ( 6.206 -2.838 -3.488) 7.663 9.142 ( -2.568 -1.995 5.981) 6.808 9.209 ( 0.352 -0.354 -0.162) 0.525 9.309 ( 4.884 -1.244 0.975) 5.133 9.389 ( -0.321 2.324 -1.469) 2.768 9.501 ( 2.876 2.673 -0.840) 4.015 9.515 ( 0.994 1.400 2.424) 2.971 9.632 ( 3.456 1.580 -0.685) 3.861 9.684 ( -0.565 0.275 -1.096) 1.264 9.775 ( 5.581 1.564 0.378) 5.808 9.832 ( -2.488 -1.714 -2.109) 3.685 10.014 ( 0.195 -3.926 1.533) 4.219 10.092 ( -4.100 8.592 1.914) 9.710 10.184 ( 1.389 -4.546 -0.985) 4.854 10.310 ( 0.764 -1.926 3.334) 3.925 10.364 ( 0.306 -4.970 -1.745) 5.277 10.422 ( -0.160 0.217 0.491) 0.560 10.499 ( 3.126 1.605 -0.767) 3.597 10.572 ( -0.020 0.997 -3.511) 3.650 10.669 ( 5.193 -0.606 -3.042) 6.049 10.707 ( -0.321 -0.634 0.739) 1.026 10.761 ( 2.720 -0.130 -0.229) 2.733 10.787 ( 1.893 3.138 -1.670) 4.027 10.805 ( -1.194 0.192 -0.176) 1.222 10.862 ( -1.966 -0.632 -0.388) 2.101 10.874 ( -2.030 -1.706 -0.264) 2.664 10.968 ( 1.309 -0.812 -0.728) 1.703 11.029 ( -3.014 2.962 0.179) 4.229 11.043 ( -4.427 -0.798 1.970) 4.910 11.134 ( 1.358 -0.331 1.800) 2.279 11.179 ( -2.053 -0.004 1.126) 2.342 11.284 ( -0.548 -2.340 -2.017) 3.138 11.299 ( -0.037 3.675 0.053) 3.676 11.528 ( 0.549 -9.090 0.449) 9.118 11.682 ( 0.679 -7.384 1.667) 7.601 11.770 ( 1.923 -3.741 -2.411) 4.848 11.848 ( 2.827 1.367 1.054) 3.312 11.912 ( 0.223 -0.112 1.642) 1.661 12.016 ( 1.384 4.799 -1.118) 5.118 12.084 ( -3.220 2.334 1.436) 4.228 12.170 ( 2.545 3.141 2.019) 4.519 12.246 ( 0.416 2.608 -6.175) 6.716 12.364 ( -2.499 -2.507 1.808) 3.975 12.540 ( -0.654 5.950 -2.019) 6.317 12.636 ( 1.302 5.298 2.782) 6.124 12.789 ( -2.997 -3.041 -4.579) 6.261 13.492 ( 1.224 2.415 0.527) 2.759 13.773 ( -0.966 -6.460 -0.587) 6.558 13.897 ( -0.253 -0.741 -0.797) 1.117 14.106 ( 1.527 -4.386 1.675) 4.937 14.157 ( -1.766 2.251 0.884) 2.994 14.199 ( -0.641 -4.680 -1.006) 4.830 14.487 ( 2.892 -9.022 1.790) 9.642 14.571 ( -2.792 -9.622 -1.802) 10.180 14.946 ( -1.068 3.495 -1.052) 3.803 15.079 ( 2.718 6.484 -0.958) 7.095 15.154 ( 0.044 2.996 0.032) 2.996 15.472 ( 1.111 -0.160 1.123) 1.588 15.593 ( 1.173 1.884 1.422) 2.636 15.777 ( -1.045 1.481 7.443) 7.661 15.848 ( 1.453 5.909 -3.625) 7.083 16.231 ( -0.721 -2.616 -0.910) 2.862 17.743 ( 1.682 6.986 -0.948) 7.248 17.931 ( 2.900 1.448 2.990) 4.410 18.147 ( 1.320 -6.010 -0.294) 6.160 18.190 ( -0.826 -4.713 -3.166) 5.737 18.580 ( 0.427 8.910 0.293) 8.925 18.809 ( -0.514 11.894 0.123) 11.906 18.956 ( 1.770 1.322 -4.048) 4.612 19.278 ( 3.350 -1.804 -0.433) 3.829 19.413 ( 3.019 -3.936 -1.771) 5.267 19.648 ( 6.443 -11.729 2.973) 13.709 19.908 ( 0.932 3.639 -1.024) 3.894 19.993 ( -3.117 -1.685 -0.491) 3.578 20.058 ( 2.868 2.046 2.175) 4.140 20.136 ( -4.120 -5.966 -4.038) 8.299 20.330 ( 0.086 3.713 1.830) 4.140 20.375 ( 3.904 3.394 0.152) 5.176 20.659 ( -4.455 -3.773 0.844) 5.899 20.703 ( 5.828 -3.758 0.557) 6.957 20.855 ( -9.603 -1.184 3.662) 10.346 20.941 ( -8.717 0.202 2.187) 8.990 21.485 ( -1.884 -0.209 -0.558) 1.976 21.556 ( -2.723 -0.382 -1.980) 3.388 21.807 ( 0.011 5.147 1.703) 5.422 22.026 ( -2.789 -1.566 -0.230) 3.207 23.308 ( 1.134 0.271 -0.150) 1.175 23.339 ( -0.200 -0.688 -0.826) 1.094 23.377 ( 1.159 1.003 0.127) 1.538 23.470 ( 1.831 -1.364 0.635) 2.370 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 0.000 31.167 0.000) 31.167 1.324 ( 0.000 32.991 0.000) 32.991 1.775 ( 0.000 -18.233 0.000) 18.233 1.923 ( 0.000 -29.474 0.000) 29.474 2.311 ( 0.000 12.032 0.000) 12.032 2.339 ( 0.000 -1.370 0.000) 1.370 2.506 ( 0.000 30.657 0.000) 30.657 2.681 ( 0.000 4.714 0.000) 4.714 2.784 ( 0.000 1.375 0.000) 1.375 2.898 ( 0.000 2.775 0.000) 2.775 2.909 ( 0.000 -0.965 0.000) 0.965 3.045 ( 0.000 10.917 0.000) 10.917 3.095 ( 0.000 3.476 0.000) 3.476 3.107 ( 0.000 -14.861 0.000) 14.861 3.173 ( 0.000 -6.524 0.000) 6.524 3.273 ( 0.000 4.699 0.000) 4.699 3.305 ( 0.000 -8.263 0.000) 8.263 3.396 ( 0.000 3.730 0.000) 3.730 3.406 ( 0.000 -7.233 0.000) 7.233 3.681 ( 0.000 -10.165 0.000) 10.165 3.767 ( 0.000 5.570 0.000) 5.570 3.817 ( 0.000 10.062 0.000) 10.062 3.853 ( 0.000 -14.608 0.000) 14.608 3.935 ( 0.000 15.646 0.000) 15.646 4.022 ( 0.000 -13.835 0.000) 13.835 4.060 ( 0.000 6.806 0.000) 6.806 4.137 ( 0.000 10.433 0.000) 10.433 4.190 ( 0.000 -4.523 0.000) 4.523 4.244 ( 0.000 6.975 0.000) 6.975 4.261 ( 0.000 -4.425 0.000) 4.425 4.272 ( 0.000 -15.739 0.000) 15.739 4.307 ( 0.000 -6.807 0.000) 6.807 4.345 ( 0.000 1.959 0.000) 1.959 4.389 ( 0.000 -2.108 0.000) 2.108 4.410 ( 0.000 4.050 0.000) 4.050 4.491 ( 0.000 10.284 0.000) 10.284 4.556 ( 0.000 -8.804 0.000) 8.804 4.573 ( 0.000 9.177 0.000) 9.177 4.654 ( 0.000 2.605 0.000) 2.605 4.735 ( 0.000 -12.039 0.000) 12.039 4.756 ( 0.000 7.066 0.000) 7.066 4.817 ( 0.000 -0.062 0.000) 0.062 4.933 ( 0.000 -8.906 0.000) 8.906 4.959 ( 0.000 -8.728 0.000) 8.728 5.056 ( 0.000 3.254 0.000) 3.254 5.182 ( 0.000 -5.889 0.000) 5.889 5.251 ( 0.000 5.610 0.000) 5.610 5.335 ( 0.000 -3.027 0.000) 3.027 5.350 ( 0.000 7.350 0.000) 7.350 5.432 ( 0.000 -0.359 0.000) 0.359 5.447 ( 0.000 4.891 0.000) 4.891 5.552 ( 0.000 -5.979 0.000) 5.979 5.992 ( 0.000 2.100 0.000) 2.100 6.015 ( 0.000 -2.049 0.000) 2.049 6.097 ( 0.000 5.454 0.000) 5.454 6.222 ( 0.000 -0.952 0.000) 0.952 6.355 ( 0.000 -0.683 0.000) 0.683 6.422 ( 0.000 -1.072 0.000) 1.072 6.498 ( 0.000 5.929 0.000) 5.929 6.551 ( 0.000 -0.940 0.000) 0.940 6.608 ( 0.000 -2.546 0.000) 2.546 6.630 ( 0.000 -6.212 0.000) 6.212 6.755 ( 0.000 -4.165 0.000) 4.165 6.758 ( 0.000 -5.494 0.000) 5.494 6.860 ( 0.000 5.870 0.000) 5.870 6.957 ( 0.000 -3.201 0.000) 3.201 7.143 ( 0.000 10.998 0.000) 10.998 7.268 ( 0.000 -2.613 0.000) 2.613 7.271 ( 0.000 5.969 0.000) 5.969 7.350 ( 0.000 -0.287 0.000) 0.287 7.351 ( 0.000 2.310 0.000) 2.310 7.441 ( 0.000 -0.376 0.000) 0.376 7.471 ( 0.000 0.168 0.000) 0.168 7.493 ( 0.000 -8.101 0.000) 8.101 7.593 ( 0.000 -2.071 0.000) 2.071 7.603 ( 0.000 -1.568 0.000) 1.568 7.765 ( 0.000 1.497 0.000) 1.497 7.796 ( 0.000 -0.796 0.000) 0.796 8.007 ( 0.000 -0.318 0.000) 0.318 8.054 ( 0.000 -4.234 0.000) 4.234 8.178 ( 0.000 12.974 0.000) 12.974 8.332 ( 0.000 -2.632 0.000) 2.632 8.453 ( 0.000 -0.200 0.000) 0.200 8.473 ( 0.000 -2.876 0.000) 2.876 8.546 ( 0.000 2.335 0.000) 2.335 8.574 ( 0.000 -1.560 0.000) 1.560 8.713 ( 0.000 4.605 0.000) 4.605 8.740 ( 0.000 0.401 0.000) 0.401 8.814 ( 0.000 2.049 0.000) 2.049 8.934 ( 0.000 -7.129 0.000) 7.129 9.003 ( 0.000 3.142 0.000) 3.142 9.078 ( 0.000 -5.068 0.000) 5.068 9.148 ( 0.000 6.001 0.000) 6.001 9.244 ( 0.000 -1.553 0.000) 1.553 9.289 ( 0.000 1.864 0.000) 1.864 9.311 ( 0.000 -0.761 0.000) 0.761 9.347 ( 0.000 -1.680 0.000) 1.680 9.354 ( 0.000 -1.965 0.000) 1.965 9.563 ( 0.000 6.435 0.000) 6.435 9.634 ( 0.000 -1.252 0.000) 1.252 9.844 ( 0.000 8.062 0.000) 8.062 9.972 ( 0.000 -6.624 0.000) 6.624 10.089 ( 0.000 -0.973 0.000) 0.973 10.127 ( 0.000 -4.623 0.000) 4.623 10.252 ( 0.000 -0.344 0.000) 0.344 10.259 ( 0.000 -1.449 0.000) 1.449 10.459 ( 0.000 2.302 0.000) 2.302 10.491 ( 0.000 -0.806 0.000) 0.806 10.533 ( 0.000 6.305 0.000) 6.305 10.565 ( 0.000 0.207 0.000) 0.207 10.593 ( 0.000 -0.505 0.000) 0.505 10.622 ( 0.000 -1.735 0.000) 1.735 10.662 ( 0.000 2.351 0.000) 2.351 10.770 ( 0.000 -7.938 0.000) 7.938 10.804 ( 0.000 4.329 0.000) 4.329 10.898 ( 0.000 -2.845 0.000) 2.845 10.974 ( 0.000 -1.037 0.000) 1.037 10.981 ( 0.000 -2.138 0.000) 2.138 11.113 ( 0.000 4.688 0.000) 4.688 11.190 ( 0.000 -1.844 0.000) 1.844 11.233 ( 0.000 -1.054 0.000) 1.054 11.236 ( 0.000 0.470 0.000) 0.470 11.343 ( 0.000 0.113 0.000) 0.113 11.369 ( 0.000 -2.808 0.000) 2.808 11.550 ( 0.000 1.329 0.000) 1.329 11.575 ( 0.000 -1.267 0.000) 1.267 11.762 ( 0.000 9.086 0.000) 9.086 11.945 ( 0.000 -9.312 0.000) 9.312 12.099 ( 0.000 0.580 0.000) 0.580 12.103 ( 0.000 4.929 0.000) 4.929 12.140 ( 0.000 -1.863 0.000) 1.863 12.206 ( 0.000 -4.047 0.000) 4.047 12.492 ( 0.000 8.618 0.000) 8.618 12.639 ( 0.000 -3.662 0.000) 3.662 12.802 ( 0.000 -0.087 0.000) 0.087 12.823 ( 0.000 -0.306 0.000) 0.306 13.513 ( 0.000 9.140 0.000) 9.140 13.659 ( 0.000 -6.099 0.000) 6.099 13.923 ( 0.000 -2.728 0.000) 2.728 13.946 ( 0.000 -4.968 0.000) 4.968 14.232 ( 0.000 5.694 0.000) 5.694 14.360 ( 0.000 -6.792 0.000) 6.792 14.519 ( 0.000 0.160 0.000) 0.160 14.520 ( 0.000 -0.018 0.000) 0.018 14.773 ( 0.000 5.035 0.000) 5.035 14.857 ( 0.000 -3.185 0.000) 3.185 15.145 ( 0.000 3.273 0.000) 3.273 15.228 ( 0.000 -4.153 0.000) 4.153 15.662 ( 0.000 2.628 0.000) 2.628 15.686 ( 0.000 -0.195 0.000) 0.195 16.012 ( 0.000 9.681 0.000) 9.681 16.184 ( 0.000 -7.875 0.000) 7.875 17.741 ( 0.000 4.656 0.000) 4.656 17.825 ( 0.000 5.710 0.000) 5.710 17.839 ( 0.000 -5.166 0.000) 5.166 17.936 ( 0.000 -5.585 0.000) 5.585 18.740 ( 0.000 10.213 0.000) 10.213 18.889 ( 0.000 3.302 0.000) 3.302 18.938 ( 0.000 -10.492 0.000) 10.492 18.961 ( 0.000 -4.235 0.000) 4.235 19.060 ( 0.000 11.209 0.000) 11.209 19.283 ( 0.000 -10.369 0.000) 10.369 19.877 ( 0.000 4.757 0.000) 4.757 19.959 ( 0.000 -3.956 0.000) 3.956 20.104 ( 0.000 1.844 0.000) 1.844 20.138 ( 0.000 -1.251 0.000) 1.251 20.336 ( 0.000 -0.423 0.000) 0.423 20.348 ( 0.000 -1.908 0.000) 1.908 20.964 ( 0.000 6.212 0.000) 6.212 21.100 ( 0.000 -7.864 0.000) 7.864 21.223 ( 0.000 0.627 0.000) 0.627 21.239 ( 0.000 -1.465 0.000) 1.465 21.786 ( 0.000 4.018 0.000) 4.018 21.844 ( 0.000 -2.102 0.000) 2.102 22.026 ( 0.000 11.661 0.000) 11.661 22.233 ( 0.000 -9.726 0.000) 9.726 23.191 ( 0.000 1.416 0.000) 1.416 23.219 ( 0.000 -1.381 0.000) 1.381 23.292 ( 0.000 1.753 0.000) 1.753 23.328 ( 0.000 -1.835 0.000) 1.835 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 13.581 26.163 2.600) 29.593 1.568 ( 17.661 25.134 5.776) 31.256 1.901 ( 10.539 -17.672 4.311) 21.022 2.080 ( 10.973 -23.453 1.974) 25.968 2.354 ( 4.446 1.280 -0.157) 4.630 2.394 ( 6.436 -2.589 2.722) 7.452 2.508 ( 2.995 25.423 2.952) 25.769 2.732 ( 2.664 0.809 -5.252) 5.944 2.798 ( -5.981 7.185 2.240) 9.613 2.831 ( 5.405 8.420 0.701) 10.030 2.878 ( -4.979 -2.753 0.203) 5.693 3.086 ( -2.320 -1.635 -3.657) 4.629 3.097 ( -0.253 0.284 -5.648) 5.661 3.117 ( 2.643 7.555 3.676) 8.807 3.207 ( 4.681 -13.207 0.791) 14.035 3.288 ( -1.118 -4.976 -5.159) 7.254 3.363 ( 6.937 1.868 0.583) 7.207 3.433 ( 4.417 -1.716 5.645) 7.370 3.487 ( 7.141 -2.245 1.579) 7.650 3.583 ( -4.715 0.469 -2.185) 5.218 3.638 ( -7.233 4.681 -4.849) 9.886 3.803 ( -7.019 7.210 2.557) 10.382 3.854 ( -1.498 -2.927 -0.306) 3.302 3.940 ( -0.738 5.143 -5.013) 7.220 3.979 ( 0.583 -4.728 5.473) 7.256 4.027 ( -6.170 -1.594 3.967) 7.507 4.145 ( 0.948 -7.225 -4.010) 8.317 4.185 ( 2.899 3.826 1.701) 5.093 4.225 ( -1.025 -4.889 0.328) 5.006 4.244 ( 0.628 -5.667 -4.629) 7.345 4.303 ( 1.095 6.179 -3.443) 7.158 4.347 ( 4.879 3.735 2.126) 6.502 4.398 ( -0.161 -1.975 -1.159) 2.296 4.433 ( 2.793 -3.441 0.729) 4.491 4.454 ( -1.080 2.196 1.512) 2.876 4.479 ( 3.518 -1.475 3.971) 5.507 4.515 ( 6.686 6.844 -3.991) 10.367 4.660 ( 0.829 4.768 -0.697) 4.889 4.671 ( 5.854 1.766 -1.997) 6.433 4.780 ( 5.477 -6.541 1.534) 8.668 4.822 ( 2.305 0.078 -0.304) 2.326 4.856 ( 1.636 -0.822 3.467) 3.921 4.994 ( 2.225 -0.912 2.323) 3.344 5.004 ( 8.003 -8.596 -0.502) 11.756 5.079 ( 3.648 -5.099 2.095) 6.611 5.126 ( -2.278 -6.036 -1.567) 6.639 5.298 ( 1.621 1.776 2.095) 3.189 5.338 ( 1.603 -2.486 -2.662) 3.979 5.364 ( 3.602 9.509 -4.778) 11.235 5.480 ( 4.490 0.390 -3.855) 5.930 5.566 ( 7.139 3.429 1.496) 8.060 5.648 ( 7.292 -4.621 7.523) 11.451 5.992 ( -3.085 6.515 2.416) 7.603 6.011 ( 0.191 1.629 0.486) 1.711 6.077 ( 2.050 -3.129 -0.682) 3.803 6.176 ( -3.790 -6.441 1.607) 7.644 6.283 ( -4.647 3.256 -5.244) 7.726 6.323 ( -6.645 2.133 -1.849) 7.219 6.462 ( -1.912 -0.479 -6.985) 7.258 6.508 ( -7.024 -6.298 -6.201) 11.290 6.618 ( 1.716 5.567 3.880) 7.000 6.638 ( 2.185 0.110 -3.489) 4.118 6.676 ( -1.414 -2.709 0.678) 3.130 6.774 ( 0.032 -4.557 2.225) 5.071 6.919 ( -1.555 1.497 2.988) 3.686 6.972 ( -1.616 -2.008 3.878) 4.656 7.110 ( -3.743 7.896 -0.012) 8.738 7.168 ( -6.984 1.612 -2.705) 7.661 7.248 ( -2.271 1.192 -2.113) 3.323 7.315 ( -4.004 -3.248 -2.773) 5.855 7.353 ( -2.133 2.226 -1.137) 3.286 7.372 ( -2.025 0.630 -1.521) 2.610 7.440 ( -5.731 -4.013 -3.594) 7.865 7.476 ( -1.908 -3.576 6.841) 7.951 7.553 ( -2.578 2.261 3.841) 5.148 7.577 ( -4.426 -0.508 5.605) 7.160 7.743 ( -2.159 2.313 3.253) 4.538 7.834 ( 0.931 -6.281 -1.428) 6.508 7.991 ( -1.033 2.095 -2.351) 3.314 8.038 ( -3.702 -0.752 0.326) 3.792 8.150 ( -1.032 6.305 -2.119) 6.731 8.235 ( -5.812 0.774 2.455) 6.357 8.381 ( -9.043 1.076 1.348) 9.206 8.415 ( -5.229 -2.093 0.133) 5.634 8.508 ( 0.944 -0.936 -2.135) 2.515 8.549 ( -1.040 -2.080 -4.997) 5.512 8.733 ( 1.527 7.585 3.421) 8.460 8.830 ( 1.419 3.590 -5.772) 6.944 8.846 ( -1.202 -1.056 3.607) 3.946 8.887 ( -2.225 0.084 -3.625) 4.254 8.974 ( -2.455 3.263 3.585) 5.434 9.061 ( 2.465 -2.643 -0.433) 3.640 9.145 ( -0.755 -2.870 -0.667) 3.042 9.159 ( -5.521 -2.549 -1.119) 6.183 9.282 ( 1.964 1.062 1.954) 2.967 9.299 ( 2.830 0.085 -0.500) 2.875 9.460 ( 7.475 2.063 5.687) 9.617 9.490 ( 7.782 -0.865 5.344) 9.480 9.587 ( 1.904 5.804 0.342) 6.118 9.656 ( 1.181 -0.438 0.724) 1.453 9.911 ( 2.767 1.039 -4.069) 5.029 9.970 ( 3.051 -5.868 -8.452) 10.732 10.022 ( -2.888 3.064 1.785) 4.573 10.132 ( -0.889 -7.120 1.514) 7.333 10.284 ( 2.293 1.097 1.589) 2.998 10.321 ( 3.394 -1.321 -1.207) 3.837 10.451 ( -1.966 1.560 -0.576) 2.575 10.466 ( -0.134 0.685 0.877) 1.121 10.538 ( 2.696 0.513 -1.168) 2.982 10.570 ( 1.345 -0.114 -0.452) 1.424 10.645 ( 2.380 -0.147 0.248) 2.397 10.662 ( 0.802 -1.073 0.148) 1.348 10.727 ( 5.740 2.286 1.481) 6.354 10.763 ( -0.357 1.442 -1.888) 2.403 10.845 ( 2.452 -1.657 -1.744) 3.435 10.920 ( 4.612 -4.581 -5.581) 8.567 10.944 ( 0.561 1.073 1.831) 2.195 11.027 ( 0.620 -5.605 2.703) 6.254 11.132 ( 0.731 3.330 1.240) 3.628 11.185 ( -3.823 0.805 2.084) 4.427 11.192 ( -0.937 -0.645 -1.898) 2.213 11.228 ( 0.635 -1.658 1.448) 2.291 11.331 ( -1.932 0.381 2.960) 3.555 11.367 ( -1.429 -3.685 1.037) 4.086 11.585 ( 2.100 0.180 0.016) 2.107 11.589 ( 3.532 -0.156 -1.236) 3.745 11.752 ( 0.661 7.278 -2.735) 7.803 11.902 ( -2.500 -7.630 -4.292) 9.104 12.074 ( -1.498 4.140 5.354) 6.932 12.127 ( -0.493 -2.319 1.416) 2.761 12.167 ( 4.179 0.081 -5.779) 7.132 12.207 ( 0.310 -2.906 -0.972) 3.080 12.505 ( -0.063 8.264 2.239) 8.562 12.627 ( -1.566 -2.122 0.942) 2.800 12.776 ( -0.845 1.361 -6.165) 6.370 12.831 ( 2.133 -3.436 -4.150) 5.795 13.505 ( -0.362 9.083 1.656) 9.240 13.667 ( -0.064 -6.800 2.859) 7.377 13.899 ( -1.822 -2.749 -1.089) 3.473 13.930 ( -1.678 -5.160 -0.147) 5.428 14.238 ( -0.163 5.665 1.873) 5.969 14.349 ( -1.685 -4.075 0.979) 4.517 14.411 ( -3.897 2.394 -8.973) 10.071 14.480 ( -1.851 -5.713 -2.606) 6.546 14.930 ( 7.174 2.744 10.923) 13.353 14.961 ( 7.898 -0.451 3.943) 8.839 15.126 ( -1.029 4.300 -1.775) 4.764 15.230 ( 0.154 -5.370 0.814) 5.434 15.674 ( 0.245 3.050 2.381) 3.877 15.708 ( 0.887 -0.758 2.948) 3.171 15.997 ( -0.873 10.093 -0.627) 10.150 16.175 ( -0.580 -8.097 -0.740) 8.151 17.773 ( 2.423 5.239 1.715) 6.022 17.832 ( 1.878 4.873 1.580) 5.456 17.901 ( 4.532 -4.282 -1.884) 6.514 17.986 ( 5.029 -7.135 -2.388) 9.050 18.753 ( 1.147 10.213 0.089) 10.278 18.884 ( 1.437 -1.621 -3.189) 3.855 18.982 ( 1.241 3.817 4.374) 5.937 19.043 ( 6.991 -7.098 5.021) 11.156 19.113 ( 6.944 3.717 -6.226) 10.040 19.270 ( -0.453 -8.248 -2.393) 8.600 19.902 ( 2.693 4.384 -1.051) 5.251 19.984 ( 2.095 -4.646 -0.106) 5.098 20.122 ( 2.010 5.420 -2.922) 6.477 20.169 ( 2.165 -0.807 -0.071) 2.311 20.301 ( -1.561 -0.098 -2.139) 2.649 20.327 ( -0.850 -2.223 -1.369) 2.745 20.816 ( -13.954 2.468 6.990) 15.801 20.882 ( -16.136 -3.859 -0.271) 16.593 21.204 ( -5.061 0.779 2.566) 5.728 21.243 ( -2.896 -3.167 2.026) 4.746 21.723 ( -4.766 3.776 -3.791) 7.166 21.777 ( -4.748 -1.817 -3.798) 6.346 22.005 ( -3.216 9.831 3.121) 10.804 22.169 ( -5.864 -6.622 1.891) 9.045 23.242 ( 3.965 0.761 0.790) 4.113 23.261 ( 3.337 -1.094 1.099) 3.679 23.301 ( 1.439 1.415 -0.834) 2.183 23.332 ( 0.793 -1.608 -1.126) 2.117 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 18.232 17.651 4.709) 25.810 1.945 ( 16.358 12.357 7.466) 21.818 2.146 ( 10.406 -9.976 2.328) 14.602 2.264 ( 8.398 -7.938 1.020) 11.601 2.456 ( 4.219 -1.341 1.719) 4.749 2.526 ( 1.926 -9.069 0.207) 9.273 2.622 ( 1.616 4.899 -2.905) 5.921 2.695 ( -1.425 4.138 2.274) 4.932 2.749 ( -1.032 -6.469 -4.194) 7.778 2.785 ( 2.738 -3.349 0.324) 4.338 2.968 ( -3.963 3.063 -6.150) 7.931 2.994 ( -1.853 8.379 -0.193) 8.584 3.032 ( 2.179 0.015 -1.513) 2.653 3.158 ( -2.013 2.142 -6.410) 7.052 3.200 ( -2.119 -5.189 -0.019) 5.605 3.229 ( -3.457 -0.506 -4.450) 5.658 3.363 ( -5.120 4.132 -5.282) 8.438 3.514 ( -4.750 -7.431 -4.146) 9.746 3.566 ( 10.503 8.368 3.511) 13.880 3.621 ( 2.357 1.488 3.542) 4.507 3.676 ( 2.719 0.938 1.644) 3.313 3.749 ( -0.505 4.353 4.526) 6.300 3.780 ( 1.735 -3.395 4.913) 6.219 3.856 ( -4.522 -5.510 1.990) 7.401 3.991 ( 9.033 11.018 2.032) 14.392 4.065 ( 1.462 5.245 7.289) 9.098 4.157 ( -0.954 -3.390 3.711) 5.116 4.213 ( 2.334 -0.406 -4.099) 4.734 4.264 ( 0.361 1.458 -3.576) 3.878 4.291 ( 5.258 3.687 -5.932) 8.743 4.328 ( 5.229 2.232 -2.513) 6.216 4.367 ( 0.192 0.550 -0.117) 0.595 4.434 ( 0.301 -2.200 -0.777) 2.353 4.489 ( 4.477 -2.338 0.241) 5.057 4.503 ( 5.165 2.254 3.608) 6.691 4.563 ( 4.928 0.636 4.126) 6.459 4.650 ( 6.832 0.566 -1.306) 6.979 4.702 ( 3.312 -3.074 -2.058) 4.965 4.756 ( -0.570 2.379 -1.619) 2.934 4.810 ( 6.125 -2.224 1.430) 6.671 4.933 ( 2.476 3.557 4.169) 6.014 4.999 ( 9.125 -3.740 -1.162) 9.930 5.054 ( 1.759 -1.481 1.481) 2.735 5.110 ( 1.423 -0.797 1.113) 1.974 5.149 ( 7.742 -4.589 -2.645) 9.380 5.204 ( 5.714 -4.571 2.741) 7.814 5.303 ( -0.091 -3.567 -0.951) 3.692 5.351 ( 1.367 -5.471 -1.596) 5.861 5.447 ( 6.902 9.918 -3.418) 12.557 5.561 ( 6.885 -2.042 -1.270) 7.293 5.685 ( 3.722 5.566 1.768) 6.925 5.835 ( 6.081 -9.327 3.426) 11.649 5.935 ( -6.755 7.027 -5.058) 10.982 5.992 ( -0.288 6.165 2.422) 6.630 6.105 ( -0.028 -0.741 1.825) 1.970 6.187 ( -2.236 0.565 -2.900) 3.705 6.190 ( 0.989 -2.824 5.081) 5.897 6.263 ( 3.174 -0.875 -0.079) 3.293 6.304 ( -4.873 -4.141 -9.398) 11.367 6.351 ( -6.237 -3.174 -0.254) 7.003 6.565 ( -7.380 9.032 -5.593) 12.935 6.666 ( -0.898 1.041 -4.623) 4.823 6.705 ( 1.362 -0.255 3.188) 3.476 6.746 ( 0.529 -0.438 -4.355) 4.408 6.838 ( -3.689 -3.226 -5.111) 7.081 6.887 ( -12.264 -8.760 -2.540) 15.283 6.989 ( -2.126 2.325 4.305) 5.334 7.037 ( -6.115 -1.464 4.478) 7.719 7.169 ( -5.842 2.054 2.632) 6.729 7.218 ( -7.014 -2.335 -0.093) 7.393 7.257 ( -3.559 5.481 0.729) 6.576 7.313 ( -1.644 2.037 -1.167) 2.866 7.349 ( -0.461 2.084 -2.325) 3.156 7.480 ( -3.575 -4.191 0.613) 5.543 7.506 ( -6.312 0.038 9.171) 11.133 7.527 ( -2.530 -3.561 4.729) 6.438 7.708 ( -3.020 1.583 1.493) 3.722 7.765 ( -5.801 -5.139 -0.467) 7.764 7.897 ( -6.116 8.100 -1.982) 10.341 7.986 ( -2.610 -2.088 0.234) 3.351 8.106 ( -3.325 1.799 -1.820) 4.196 8.139 ( -4.651 1.184 -0.683) 4.848 8.236 ( -7.021 0.028 -0.810) 7.068 8.264 ( -7.314 -1.210 -0.315) 7.420 8.491 ( -3.100 2.055 0.135) 3.722 8.519 ( -1.031 -2.199 -0.872) 2.580 8.655 ( -5.554 6.516 -4.524) 9.683 8.735 ( -6.017 -1.099 -0.929) 6.187 8.875 ( 5.963 3.854 1.277) 7.214 8.895 ( 0.930 1.581 0.861) 2.026 8.978 ( -2.190 -0.229 0.970) 2.406 9.068 ( -3.010 -6.246 1.421) 7.077 9.119 ( 3.693 -0.064 0.987) 3.823 9.157 ( 3.591 -3.558 -0.386) 5.070 9.398 ( 6.881 2.376 1.033) 7.353 9.416 ( 7.705 0.561 0.584) 7.747 9.590 ( -1.107 6.199 3.308) 7.112 9.647 ( 0.875 0.990 1.816) 2.246 9.664 ( 5.721 1.776 4.189) 7.310 9.677 ( 4.199 -0.203 2.101) 4.700 9.872 ( -0.391 0.169 -7.674) 7.686 9.938 ( -0.641 -5.748 -6.247) 8.513 10.069 ( 3.822 1.408 1.847) 4.472 10.147 ( 0.300 -5.560 4.663) 7.263 10.313 ( -0.601 1.821 2.206) 2.923 10.329 ( -1.092 0.811 -0.367) 1.409 10.448 ( 3.218 1.603 -2.818) 4.568 10.460 ( -0.919 -0.461 -1.571) 1.878 10.595 ( 3.639 1.604 -1.816) 4.372 10.628 ( -1.319 1.211 -4.035) 4.415 10.647 ( 3.620 -1.962 -0.986) 4.234 10.677 ( 2.493 -2.132 0.130) 3.283 10.771 ( 3.043 0.460 -0.189) 3.083 10.792 ( 0.337 -2.028 1.041) 2.304 10.885 ( 0.062 1.701 -3.799) 4.163 10.928 ( -0.366 -2.075 -7.524) 7.814 10.964 ( 2.407 5.515 4.275) 7.381 11.090 ( -1.792 1.152 1.442) 2.572 11.109 ( -4.332 -2.841 1.977) 5.545 11.128 ( 3.669 -7.978 -2.428) 9.110 11.183 ( -0.777 4.296 3.504) 5.598 11.248 ( -1.313 0.331 2.107) 2.505 11.323 ( -1.107 -0.670 3.386) 3.625 11.344 ( -0.328 -5.687 1.833) 5.984 11.616 ( 1.179 1.019 -3.546) 3.873 11.660 ( 3.503 -2.719 -3.737) 5.799 11.790 ( 3.747 2.486 2.062) 4.946 11.848 ( 0.296 -3.718 0.037) 3.730 12.096 ( 0.112 4.603 4.343) 6.330 12.134 ( 0.045 0.323 2.115) 2.140 12.185 ( 1.461 0.016 -4.226) 4.471 12.216 ( 1.385 -2.590 -1.759) 3.423 12.488 ( -3.210 6.318 2.012) 7.367 12.597 ( -2.252 -4.517 1.460) 5.254 12.713 ( 0.283 6.390 -9.063) 11.093 12.829 ( 0.568 -4.235 -6.941) 8.151 13.542 ( 2.154 8.205 3.343) 9.118 13.688 ( 0.192 -5.348 1.956) 5.698 13.852 ( -2.009 -3.481 -0.532) 4.055 13.897 ( -1.421 -7.608 2.204) 8.047 14.236 ( -1.335 4.890 1.312) 5.236 14.290 ( -3.181 2.430 -2.504) 4.722 14.333 ( -0.565 -2.161 -2.200) 3.135 14.432 ( -1.491 -9.986 -3.406) 10.656 15.086 ( -0.253 4.717 -0.453) 4.746 15.101 ( 4.871 7.107 1.575) 8.759 15.140 ( 4.279 -0.691 4.973) 6.597 15.270 ( 3.237 -8.062 4.560) 9.811 15.691 ( 0.202 4.554 1.075) 4.683 15.746 ( 0.443 -1.189 4.542) 4.716 15.986 ( 0.338 9.446 -0.881) 9.493 16.156 ( -0.671 -7.669 -0.877) 7.748 17.844 ( 3.606 6.888 0.565) 7.795 17.901 ( 3.046 4.649 3.446) 6.540 17.979 ( 4.391 -4.891 -2.010) 6.873 18.058 ( 3.755 -7.902 -3.975) 9.610 18.779 ( 1.272 11.056 0.136) 11.130 18.904 ( 1.671 -1.125 -0.047) 2.015 19.047 ( 2.700 7.751 0.776) 8.244 19.193 ( 0.980 -5.132 0.127) 5.226 19.235 ( 8.623 -5.023 1.059) 10.035 19.280 ( 7.010 -4.132 -5.205) 9.659 19.955 ( 3.225 3.832 -2.882) 5.778 20.021 ( 1.552 -3.128 -0.511) 3.529 20.071 ( -3.271 4.943 -5.249) 7.917 20.156 ( -3.427 -3.506 -5.106) 7.079 20.324 ( 5.818 3.122 0.086) 6.603 20.380 ( 5.247 -1.294 0.984) 5.493 20.592 ( -11.687 -1.582 4.866) 12.758 20.624 ( -10.085 -4.621 10.871) 15.532 21.071 ( -10.055 1.760 2.719) 10.564 21.119 ( -10.202 -2.774 1.484) 10.676 21.594 ( -5.123 3.127 -3.285) 6.842 21.644 ( -5.642 -1.908 -3.812) 7.072 21.949 ( -3.903 7.134 2.603) 8.538 22.063 ( -5.621 -4.438 1.178) 7.258 23.301 ( 1.247 0.955 -0.829) 1.776 23.315 ( 1.950 -0.373 -0.231) 1.999 23.353 ( 2.582 0.199 -0.259) 2.602 23.370 ( 4.199 -1.347 1.076) 4.539 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 9.151 7.050 4.729) 12.482 2.215 ( 3.411 -4.682 2.917) 6.485 2.358 ( 11.382 2.459 5.402) 12.836 2.409 ( 3.474 -2.258 -0.454) 4.168 2.493 ( 6.050 5.993 -3.807) 9.328 2.593 ( -1.338 -0.426 -2.913) 3.234 2.624 ( 7.828 -5.003 0.261) 9.294 2.685 ( 0.711 -7.246 -0.153) 7.283 2.752 ( -6.677 2.625 -0.714) 7.210 2.791 ( -3.558 -2.293 1.225) 4.406 2.816 ( -3.290 2.786 -0.931) 4.411 2.911 ( 1.609 -2.846 -2.742) 4.267 2.958 ( -7.872 -1.721 -6.501) 10.354 3.003 ( -5.772 -3.986 -4.734) 8.463 3.128 ( -3.191 5.434 3.162) 7.050 3.176 ( -5.415 0.837 -1.693) 5.735 3.321 ( 3.114 5.106 -2.276) 6.399 3.457 ( 2.021 -7.514 -2.072) 8.052 3.567 ( -4.434 0.998 0.676) 4.595 3.568 ( -2.005 0.844 -0.916) 2.360 3.743 ( -1.618 4.800 0.243) 5.071 3.811 ( -0.362 -2.195 2.310) 3.207 3.899 ( 10.035 3.878 4.200) 11.549 3.977 ( 3.772 -3.373 6.466) 8.211 4.094 ( 0.739 1.941 2.352) 3.138 4.141 ( -1.099 -1.991 -1.509) 2.729 4.204 ( 0.510 3.524 0.790) 3.647 4.223 ( -0.602 6.259 2.783) 6.876 4.254 ( -1.832 1.896 -4.490) 5.207 4.370 ( 11.318 8.323 4.014) 14.611 4.376 ( 4.232 -0.512 -3.052) 5.242 4.427 ( 0.395 4.435 0.457) 4.476 4.493 ( 5.104 1.123 -3.780) 6.450 4.586 ( 3.933 -3.512 0.358) 5.285 4.624 ( 4.376 -2.497 -0.665) 5.082 4.659 ( -1.608 -5.616 3.522) 6.821 4.673 ( 1.064 3.276 -0.404) 3.468 4.724 ( -0.345 -0.276 -0.515) 0.678 4.833 ( 6.760 3.591 0.870) 7.704 4.952 ( 2.295 5.884 1.251) 6.438 4.962 ( 3.078 -6.623 1.515) 7.459 5.057 ( -2.551 7.555 3.890) 8.872 5.095 ( 2.826 -2.406 -4.237) 5.633 5.131 ( -0.300 -1.521 -2.465) 2.912 5.207 ( -0.018 -4.271 -0.368) 4.287 5.309 ( 8.720 -6.487 -1.720) 11.003 5.400 ( 4.829 3.159 7.024) 9.091 5.480 ( 6.490 1.607 3.070) 7.357 5.524 ( 0.041 4.091 -2.875) 5.001 5.662 ( 2.397 -5.680 2.105) 6.514 5.721 ( -2.773 6.926 -7.678) 10.706 5.782 ( 1.762 7.872 2.411) 8.419 5.842 ( -11.149 -3.377 -6.054) 13.129 5.933 ( 3.309 -4.794 -3.170) 6.631 6.123 ( -5.571 0.690 -1.657) 5.853 6.127 ( -1.214 1.690 -0.554) 2.153 6.207 ( 2.509 0.891 6.430) 6.959 6.235 ( -2.634 0.121 -1.158) 2.880 6.295 ( -0.314 7.035 1.405) 7.181 6.336 ( 1.854 -5.305 5.132) 7.610 6.441 ( -1.269 -0.020 -1.331) 1.839 6.524 ( -2.298 -0.553 -6.684) 7.090 6.611 ( -9.489 -11.158 -3.339) 15.023 6.716 ( -4.416 -9.532 -1.278) 10.583 6.780 ( 5.152 2.920 -1.515) 6.112 6.839 ( 4.922 -3.275 -4.898) 7.678 6.976 ( -3.303 1.847 3.379) 5.073 7.021 ( 0.656 -1.691 4.669) 5.009 7.071 ( -2.089 0.712 -1.161) 2.494 7.115 ( -2.279 -4.311 -3.713) 6.129 7.195 ( -4.407 5.339 4.031) 8.011 7.256 ( -6.268 -1.078 3.000) 7.032 7.376 ( 2.595 4.494 0.615) 5.226 7.437 ( -1.577 2.627 4.069) 5.093 7.460 ( 3.337 -0.666 -1.688) 3.798 7.520 ( -2.695 -4.697 4.801) 7.237 7.648 ( -4.196 1.119 -1.240) 4.516 7.660 ( -2.483 -0.224 0.350) 2.517 7.780 ( -3.486 6.101 -2.040) 7.317 7.887 ( -5.597 -4.641 -0.421) 7.283 8.047 ( -0.627 3.312 -2.139) 3.992 8.054 ( -1.763 -0.034 -1.656) 2.419 8.103 ( -5.220 2.631 0.794) 5.899 8.161 ( -2.991 -5.080 -0.286) 5.902 8.444 ( -1.430 2.005 0.359) 2.489 8.476 ( -1.361 -0.816 -0.619) 1.703 8.585 ( -0.389 4.738 -1.383) 4.951 8.652 ( -2.088 -2.125 -0.517) 3.024 8.872 ( -1.211 3.984 -0.760) 4.233 8.911 ( -2.432 2.775 0.943) 3.809 9.013 ( 4.516 -2.657 -0.672) 5.283 9.056 ( -1.119 -5.467 2.254) 6.019 9.225 ( 4.261 1.468 3.407) 5.649 9.261 ( 5.126 -2.411 0.614) 5.698 9.474 ( -0.849 3.967 -1.414) 4.296 9.514 ( -0.112 -0.540 -1.339) 1.448 9.581 ( 1.707 4.567 4.019) 6.319 9.647 ( 1.618 -1.264 0.728) 2.179 9.711 ( -0.282 3.442 -1.528) 3.777 9.784 ( 1.917 -2.045 1.465) 3.162 9.832 ( -0.248 1.727 -3.667) 4.061 9.900 ( 0.030 -6.031 -2.374) 6.481 10.145 ( 1.866 0.485 1.918) 2.719 10.179 ( -0.046 -1.591 3.869) 4.184 10.306 ( -0.313 2.605 0.651) 2.703 10.320 ( -0.212 0.003 -0.559) 0.598 10.425 ( -1.098 1.234 -0.783) 1.828 10.490 ( 1.639 -3.000 -1.955) 3.938 10.592 ( 0.800 1.632 -2.527) 3.113 10.634 ( 1.805 -2.732 -2.227) 3.960 10.703 ( 1.895 0.413 0.571) 2.022 10.722 ( -0.287 -1.936 1.344) 2.374 10.822 ( 3.235 1.661 -0.420) 3.661 10.844 ( 2.261 1.772 -0.780) 2.977 10.852 ( 0.235 -0.783 -0.755) 1.113 10.869 ( -0.877 -0.520 -1.283) 1.639 10.962 ( -4.036 1.414 -0.623) 4.322 11.009 ( -3.688 -2.636 -1.149) 4.677 11.098 ( 1.319 4.453 0.444) 4.666 11.178 ( 0.247 3.322 1.783) 3.778 11.189 ( 0.114 -0.872 0.605) 1.067 11.227 ( -0.712 -1.358 -0.042) 1.534 11.324 ( -0.453 -1.199 1.671) 2.106 11.362 ( 0.156 -6.999 1.832) 7.236 11.598 ( -0.282 0.188 -1.821) 1.852 11.667 ( 0.477 -5.618 -2.473) 6.156 11.876 ( 2.583 1.513 0.827) 3.106 11.902 ( 2.224 -1.135 1.386) 2.856 12.119 ( 1.386 4.285 -1.233) 4.669 12.139 ( -1.840 3.016 3.784) 5.177 12.210 ( 3.200 -0.256 -2.763) 4.236 12.228 ( -0.671 -1.839 3.032) 3.609 12.425 ( -2.911 6.887 -0.586) 7.500 12.570 ( -0.474 -6.503 0.269) 6.526 12.696 ( 1.516 5.470 -2.153) 6.071 12.769 ( -1.905 -0.953 -5.354) 5.763 13.594 ( 1.096 7.376 1.035) 7.528 13.683 ( -0.817 -2.445 -0.195) 2.585 13.837 ( 0.316 -3.486 0.410) 3.524 13.912 ( 0.459 -10.852 2.989) 11.265 14.207 ( -1.469 4.308 0.015) 4.552 14.236 ( -1.033 3.721 -1.421) 4.115 14.330 ( 0.594 -6.078 1.283) 6.240 14.375 ( -1.806 -9.105 -3.438) 9.899 15.063 ( -0.554 7.256 -0.576) 7.300 15.161 ( 1.335 -1.608 -1.663) 2.671 15.222 ( 1.428 6.774 3.450) 7.735 15.369 ( 2.448 -7.959 2.754) 8.771 15.696 ( 0.028 6.026 0.186) 6.029 15.776 ( 0.265 -2.044 2.193) 3.009 15.992 ( 0.440 8.479 -0.573) 8.510 16.143 ( -0.271 -6.655 -0.368) 6.671 17.900 ( 1.686 8.464 -0.275) 8.634 17.974 ( 1.561 3.069 3.330) 4.790 18.034 ( 1.936 -5.322 -1.096) 5.769 18.079 ( 0.987 -6.604 -3.003) 7.321 18.798 ( 0.490 12.040 0.074) 12.050 18.944 ( 1.620 -1.773 1.081) 2.634 19.056 ( -0.756 10.322 -2.350) 10.613 19.210 ( 1.232 -5.666 1.409) 5.967 19.343 ( 2.847 -1.888 -1.573) 3.760 19.421 ( 5.248 -9.934 0.211) 11.237 19.959 ( -0.653 1.193 -2.495) 2.842 19.990 ( -1.039 0.837 -1.266) 1.839 20.035 ( -3.179 -2.603 -4.239) 5.903 20.061 ( 0.866 -1.610 0.039) 1.829 20.407 ( -1.231 4.102 2.888) 5.165 20.439 ( 1.903 1.948 1.466) 3.093 20.586 ( 2.955 -2.585 4.433) 5.922 20.613 ( 6.033 -4.519 1.680) 7.723 20.868 ( -9.905 2.100 0.634) 10.145 20.916 ( -9.401 -2.431 0.253) 9.714 21.506 ( -2.194 1.962 -0.996) 3.107 21.540 ( -2.529 -1.384 -1.599) 3.296 21.904 ( -1.572 4.660 1.025) 5.024 21.980 ( -2.665 -3.283 0.147) 4.232 23.316 ( 0.668 0.492 -0.382) 0.913 23.326 ( 0.173 -0.644 -0.630) 0.917 23.402 ( 1.465 1.609 0.320) 2.199 23.437 ( 1.723 -1.903 0.531) 2.622 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -0.886 0.000 32.883) 32.895 0.648 ( 2.377 0.000 34.042) 34.125 1.073 ( 7.359 0.000 53.589) 54.092 2.048 ( -0.853 0.000 -6.207) 6.265 2.173 ( 8.143 0.000 -20.201) 21.781 2.442 ( -7.985 0.000 -7.064) 10.661 2.501 ( 1.640 0.000 6.120) 6.336 2.721 ( -0.704 0.000 1.710) 1.849 2.756 ( 0.724 0.000 -0.158) 0.741 2.940 ( 0.316 0.000 -2.581) 2.601 2.980 ( 3.500 0.000 2.541) 4.325 3.006 ( 0.769 0.000 2.116) 2.252 3.122 ( -3.235 0.000 1.895) 3.749 3.195 ( -3.332 0.000 -0.855) 3.440 3.255 ( 2.789 0.000 -3.785) 4.702 3.258 ( 4.168 0.000 -3.759) 5.613 3.439 ( -10.605 0.000 1.040) 10.656 3.538 ( 1.878 0.000 -1.507) 2.408 3.538 ( -1.664 0.000 -1.045) 1.965 3.647 ( 2.262 0.000 -0.546) 2.327 3.671 ( 2.166 0.000 -0.618) 2.252 3.731 ( -4.613 0.000 -2.903) 5.451 3.770 ( 4.443 0.000 7.627) 8.826 3.840 ( -2.303 0.000 -2.449) 3.362 3.855 ( -6.375 0.000 -0.945) 6.444 3.910 ( 5.199 0.000 -2.872) 5.940 3.925 ( 5.782 0.000 -0.514) 5.805 4.043 ( 0.837 0.000 -0.487) 0.968 4.098 ( -8.497 0.000 -0.548) 8.514 4.165 ( 4.461 0.000 2.813) 5.274 4.312 ( -8.270 0.000 -3.179) 8.860 4.359 ( 4.724 0.000 -4.536) 6.549 4.371 ( 6.291 0.000 -0.444) 6.306 4.468 ( -4.480 0.000 -5.405) 7.020 4.506 ( 2.631 0.000 1.540) 3.048 4.544 ( -1.584 0.000 -2.469) 2.934 4.573 ( -3.608 0.000 -6.722) 7.628 4.616 ( -5.735 0.000 -3.970) 6.975 4.636 ( 4.311 0.000 2.202) 4.841 4.800 ( -0.251 0.000 2.872) 2.883 4.861 ( 3.752 0.000 2.601) 4.566 5.002 ( -2.866 0.000 -1.717) 3.341 5.014 ( 1.974 0.000 -3.553) 4.065 5.121 ( 2.575 0.000 -0.038) 2.575 5.135 ( 0.326 0.000 -3.358) 3.374 5.185 ( 4.229 0.000 -3.398) 5.425 5.281 ( 3.091 0.000 3.210) 4.456 5.310 ( -3.158 0.000 3.438) 4.668 5.395 ( -6.249 0.000 1.588) 6.447 5.469 ( 6.886 0.000 -2.570) 7.350 5.602 ( 1.837 0.000 2.430) 3.046 5.725 ( 1.212 0.000 0.071) 1.214 5.921 ( 3.011 0.000 -2.020) 3.626 6.012 ( -0.850 0.000 -3.772) 3.867 6.121 ( -2.740 0.000 6.495) 7.049 6.122 ( -3.091 0.000 4.596) 5.539 6.316 ( -2.540 0.000 5.734) 6.272 6.382 ( 1.774 0.000 -0.625) 1.881 6.503 ( 0.605 0.000 4.736) 4.774 6.534 ( 1.049 0.000 -1.835) 2.113 6.665 ( 4.813 0.000 0.497) 4.838 6.755 ( -2.901 0.000 2.783) 4.020 6.847 ( 5.230 0.000 1.622) 5.476 6.849 ( -3.132 0.000 0.289) 3.145 6.941 ( 1.860 0.000 -0.391) 1.900 6.997 ( -1.763 0.000 -3.812) 4.200 7.049 ( -3.482 0.000 3.503) 4.939 7.112 ( 0.352 0.000 -11.452) 11.458 7.139 ( -8.467 0.000 -0.791) 8.504 7.216 ( 5.648 0.000 0.036) 5.648 7.340 ( -1.096 0.000 1.170) 1.603 7.427 ( 5.451 0.000 1.805) 5.742 7.446 ( -5.421 0.000 3.600) 6.507 7.483 ( 10.661 0.000 3.492) 11.218 7.664 ( -13.525 0.000 -13.705) 19.255 7.717 ( 1.760 0.000 -2.294) 2.891 7.812 ( 3.051 0.000 9.431) 9.912 7.845 ( 3.737 0.000 -3.166) 4.898 7.868 ( -0.976 0.000 10.685) 10.730 8.053 ( -6.994 0.000 -0.550) 7.016 8.276 ( -1.091 0.000 -2.291) 2.538 8.305 ( 0.500 0.000 0.382) 0.630 8.307 ( 2.797 0.000 2.734) 3.911 8.479 ( -12.652 0.000 5.636) 13.850 8.480 ( 3.714 0.000 6.189) 7.218 8.554 ( 0.351 0.000 -3.832) 3.848 8.737 ( 3.008 0.000 -3.802) 4.848 8.769 ( -6.453 0.000 0.799) 6.502 8.774 ( -13.602 0.000 3.755) 14.110 8.925 ( 0.847 0.000 -1.865) 2.049 9.021 ( -5.105 0.000 -1.749) 5.396 9.026 ( 10.178 0.000 -3.139) 10.652 9.136 ( 13.958 0.000 -2.951) 14.266 9.162 ( -1.368 0.000 -0.638) 1.510 9.237 ( 0.847 0.000 -3.043) 3.159 9.343 ( -0.071 0.000 5.082) 5.082 9.401 ( 2.276 0.000 3.962) 4.569 9.453 ( 9.095 0.000 1.598) 9.234 9.496 ( 1.644 0.000 4.236) 4.544 9.610 ( -1.130 0.000 -1.292) 1.717 9.774 ( -50.348 0.000 1.814) 50.381 9.959 ( 1.777 0.000 1.343) 2.228 10.138 ( -6.504 0.000 -6.522) 9.211 10.252 ( 4.355 0.000 -10.108) 11.006 10.261 ( 2.401 0.000 -2.478) 3.450 10.421 ( -1.561 0.000 0.850) 1.777 10.445 ( 0.414 0.000 0.669) 0.787 10.482 ( 13.406 0.000 -4.230) 14.058 10.494 ( -3.477 0.000 0.959) 3.607 10.558 ( 0.855 0.000 2.629) 2.765 10.587 ( 0.088 0.000 1.359) 1.362 10.618 ( 0.243 0.000 -4.001) 4.009 10.719 ( 0.856 0.000 -1.018) 1.331 10.757 ( 6.379 0.000 -0.015) 6.379 10.814 ( -0.584 0.000 -1.731) 1.827 10.854 ( 4.337 0.000 -2.110) 4.823 10.922 ( 2.407 0.000 0.937) 2.583 10.955 ( 0.669 0.000 -8.372) 8.398 11.076 ( -0.778 0.000 -0.625) 0.998 11.162 ( -3.124 0.000 7.650) 8.264 11.276 ( 4.634 0.000 -2.215) 5.136 11.282 ( 1.459 0.000 5.651) 5.837 11.400 ( 0.241 0.000 2.878) 2.888 11.487 ( 1.691 0.000 0.031) 1.691 11.569 ( 0.015 0.000 -0.117) 0.118 11.591 ( -6.627 0.000 2.573) 7.109 11.629 ( 1.638 0.000 2.515) 3.001 11.656 ( 3.141 0.000 3.653) 4.818 12.154 ( 2.024 0.000 -1.251) 2.380 12.194 ( -2.201 0.000 -4.170) 4.715 12.196 ( -0.048 0.000 0.004) 0.048 12.306 ( -2.859 0.000 1.241) 3.117 12.308 ( -0.148 0.000 -1.044) 1.054 12.473 ( 1.444 0.000 -0.807) 1.654 12.758 ( -1.237 0.000 -5.378) 5.519 12.871 ( 2.159 0.000 -5.911) 6.293 13.472 ( -4.253 0.000 6.124) 7.456 13.706 ( 8.194 0.000 -0.347) 8.202 13.958 ( 2.932 0.000 1.561) 3.322 13.995 ( -1.509 0.000 -0.432) 1.570 14.096 ( 4.638 0.000 3.790) 5.990 14.268 ( 1.456 0.000 4.069) 4.322 14.505 ( 1.552 0.000 1.452) 2.126 14.554 ( -3.440 0.000 -2.188) 4.077 14.673 ( 5.525 0.000 1.481) 5.720 15.051 ( 0.333 0.000 -5.991) 6.000 15.187 ( -11.196 0.000 2.312) 11.432 15.234 ( 3.119 0.000 0.344) 3.138 15.633 ( -0.821 0.000 1.533) 1.739 15.702 ( -0.234 0.000 -0.965) 0.993 16.288 ( 6.552 0.000 1.235) 6.667 16.339 ( -1.251 0.000 -0.255) 1.277 17.538 ( -2.216 0.000 1.410) 2.627 17.645 ( 2.982 0.000 -0.792) 3.086 18.007 ( -19.582 0.000 -1.462) 19.636 18.044 ( -0.630 0.000 -1.915) 2.016 18.458 ( 0.174 0.000 1.706) 1.715 18.509 ( -3.807 0.000 1.883) 4.247 18.831 ( 2.131 0.000 -1.644) 2.691 19.159 ( -7.262 0.000 6.821) 9.963 19.169 ( -0.651 0.000 -8.454) 8.479 19.357 ( 6.572 0.000 0.943) 6.639 19.624 ( -0.639 0.000 2.287) 2.375 19.749 ( -3.520 0.000 0.898) 3.633 20.106 ( -0.398 0.000 0.346) 0.527 20.146 ( 1.528 0.000 -1.367) 2.050 20.364 ( 0.887 0.000 0.167) 0.903 20.436 ( -0.515 0.000 -0.990) 1.116 21.119 ( -3.666 0.000 1.914) 4.136 21.224 ( 20.597 0.000 -0.204) 20.598 21.296 ( 1.636 0.000 3.310) 3.693 21.511 ( 2.206 0.000 0.846) 2.362 21.603 ( -6.845 0.000 -3.059) 7.497 21.768 ( 7.286 0.000 -8.222) 10.986 22.028 ( 8.331 0.000 3.986) 9.236 22.136 ( 1.203 0.000 -0.395) 1.266 23.181 ( -2.835 0.000 0.934) 2.985 23.247 ( -0.573 0.000 -0.733) 0.930 23.260 ( 0.878 0.000 1.230) 1.511 23.355 ( -0.832 0.000 -1.075) 1.360 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 19.059 0.000 22.574) 29.544 1.123 ( 22.124 0.000 26.147) 34.251 1.943 ( 38.905 0.000 36.314) 53.220 2.055 ( 7.423 0.000 -10.987) 13.260 2.121 ( -0.734 0.000 -22.170) 22.183 2.384 ( 8.909 0.000 -5.361) 10.398 2.552 ( 1.272 0.000 0.892) 1.554 2.736 ( -1.118 0.000 3.945) 4.100 2.788 ( -0.562 0.000 -0.612) 0.831 2.928 ( 0.048 0.000 2.060) 2.060 2.978 ( -2.384 0.000 -4.746) 5.311 3.108 ( -0.869 0.000 -2.696) 2.833 3.143 ( 9.110 0.000 2.792) 9.528 3.148 ( -0.852 0.000 1.374) 1.617 3.194 ( -4.793 0.000 3.218) 5.773 3.292 ( -3.963 0.000 3.518) 5.299 3.319 ( 3.193 0.000 -1.411) 3.491 3.480 ( 0.244 0.000 -2.760) 2.770 3.528 ( -4.251 0.000 -4.290) 6.039 3.619 ( 1.054 0.000 -5.437) 5.538 3.681 ( 1.131 0.000 -0.670) 1.315 3.744 ( 1.277 0.000 -2.797) 3.074 3.767 ( -3.171 0.000 -2.092) 3.799 3.827 ( -2.601 0.000 9.464) 9.815 3.843 ( 10.335 0.000 2.311) 10.590 3.962 ( -4.769 0.000 -2.208) 5.255 3.967 ( -1.253 0.000 -0.146) 1.262 4.028 ( -9.169 0.000 -2.935) 9.627 4.089 ( 8.058 0.000 0.978) 8.118 4.180 ( -3.023 0.000 -2.528) 3.941 4.253 ( -0.340 0.000 0.946) 1.005 4.360 ( -4.380 0.000 -0.544) 4.413 4.364 ( 2.064 0.000 -3.999) 4.501 4.397 ( 7.102 0.000 -1.085) 7.184 4.505 ( 3.494 0.000 -3.351) 4.842 4.507 ( 2.129 0.000 -2.968) 3.652 4.574 ( 5.147 0.000 -8.570) 9.997 4.646 ( 3.740 0.000 2.701) 4.613 4.693 ( 5.149 0.000 2.354) 5.662 4.776 ( -4.991 0.000 4.993) 7.060 4.910 ( 2.707 0.000 -2.040) 3.390 4.962 ( -0.880 0.000 -1.109) 1.415 5.037 ( 1.458 0.000 0.596) 1.576 5.102 ( -1.706 0.000 2.181) 2.769 5.179 ( -3.892 0.000 -4.478) 5.932 5.183 ( 4.623 0.000 -3.604) 5.861 5.267 ( -1.205 0.000 -3.897) 4.079 5.411 ( 6.444 0.000 1.130) 6.543 5.433 ( 8.848 0.000 0.795) 8.884 5.669 ( 1.316 0.000 0.692) 1.487 5.678 ( 12.553 0.000 0.783) 12.577 5.787 ( 2.773 0.000 3.703) 4.626 5.939 ( -0.348 0.000 -2.276) 2.302 5.942 ( 0.268 0.000 -3.187) 3.199 6.051 ( -6.406 0.000 0.357) 6.416 6.136 ( -1.366 0.000 13.134) 13.205 6.261 ( -4.988 0.000 -0.012) 4.988 6.350 ( -5.770 0.000 -0.761) 5.820 6.488 ( -3.692 0.000 1.539) 4.000 6.546 ( 0.255 0.000 1.269) 1.294 6.637 ( -4.282 0.000 0.533) 4.315 6.652 ( -3.961 0.000 -1.046) 4.097 6.760 ( -12.165 0.000 -10.591) 16.130 6.796 ( -2.200 0.000 3.416) 4.064 6.933 ( -2.652 0.000 -2.179) 3.432 7.008 ( -3.841 0.000 9.799) 10.524 7.010 ( 3.861 0.000 0.801) 3.944 7.049 ( -1.310 0.000 -2.325) 2.668 7.118 ( 1.547 0.000 2.648) 3.067 7.222 ( -9.282 0.000 -2.856) 9.711 7.333 ( -4.539 0.000 -7.351) 8.639 7.334 ( 3.484 0.000 2.578) 4.334 7.386 ( -0.268 0.000 2.921) 2.934 7.568 ( 0.947 0.000 -4.686) 4.781 7.618 ( 3.764 0.000 4.172) 5.619 7.663 ( -4.550 0.000 -4.719) 6.555 7.756 ( -9.380 0.000 7.333) 11.906 7.857 ( -8.617 0.000 2.898) 9.091 7.892 ( 2.441 0.000 1.424) 2.827 8.067 ( 5.800 0.000 7.355) 9.367 8.241 ( -9.006 0.000 -4.546) 10.088 8.267 ( -4.569 0.000 4.014) 6.082 8.288 ( -2.816 0.000 -0.011) 2.816 8.335 ( -6.014 0.000 1.417) 6.178 8.486 ( -14.177 0.000 -1.865) 14.299 8.524 ( -0.048 0.000 7.546) 7.546 8.676 ( 7.036 0.000 10.538) 12.671 8.708 ( 1.739 0.000 0.304) 1.765 8.796 ( 4.944 0.000 -4.467) 6.663 8.817 ( -9.120 0.000 -6.334) 11.104 9.005 ( 4.085 0.000 -7.524) 8.561 9.044 ( 0.366 0.000 -0.664) 0.758 9.127 ( -1.500 0.000 -0.998) 1.802 9.237 ( 0.893 0.000 -1.538) 1.778 9.270 ( 2.800 0.000 2.525) 3.770 9.397 ( 0.121 0.000 6.423) 6.424 9.412 ( 2.471 0.000 3.040) 3.918 9.516 ( -2.506 0.000 -1.867) 3.125 9.560 ( 3.526 0.000 8.279) 8.999 9.597 ( 5.070 0.000 6.418) 8.179 9.855 ( 20.399 0.000 -7.451) 21.717 9.916 ( -6.602 0.000 -6.872) 9.529 10.029 ( 0.372 0.000 3.770) 3.788 10.234 ( 1.441 0.000 -8.834) 8.951 10.249 ( -1.825 0.000 -2.795) 3.338 10.349 ( -7.356 0.000 0.597) 7.381 10.429 ( 3.645 0.000 -2.297) 4.309 10.478 ( -1.087 0.000 2.404) 2.639 10.499 ( -0.060 0.000 2.442) 2.443 10.574 ( -0.346 0.000 -2.894) 2.914 10.597 ( 0.137 0.000 -4.276) 4.278 10.665 ( 3.819 0.000 -1.434) 4.080 10.717 ( 0.224 0.000 -2.749) 2.759 10.832 ( 0.439 0.000 -6.539) 6.554 10.842 ( 3.579 0.000 0.085) 3.580 10.919 ( 1.926 0.000 -5.690) 6.007 10.947 ( -0.457 0.000 2.025) 2.076 11.055 ( 8.252 0.000 -6.974) 10.804 11.113 ( 3.349 0.000 1.682) 3.748 11.137 ( -3.491 0.000 5.757) 6.733 11.317 ( -1.080 0.000 5.294) 5.403 11.394 ( -3.841 0.000 3.275) 5.048 11.430 ( -6.640 0.000 -3.088) 7.323 11.458 ( 12.729 0.000 -9.146) 15.674 11.532 ( 1.953 0.000 -0.585) 2.038 11.642 ( 4.449 0.000 3.761) 5.826 11.695 ( 3.965 0.000 4.991) 6.374 11.774 ( 5.569 0.000 2.237) 6.002 12.094 ( -4.149 0.000 -5.994) 7.290 12.126 ( -2.279 0.000 -1.246) 2.598 12.206 ( -1.732 0.000 0.414) 1.781 12.267 ( -2.349 0.000 0.439) 2.390 12.328 ( 2.550 0.000 0.342) 2.573 12.481 ( 0.071 0.000 -0.476) 0.481 12.676 ( -3.182 0.000 -4.444) 5.465 12.860 ( 0.322 0.000 -6.392) 6.400 13.453 ( -1.098 0.000 5.209) 5.323 13.864 ( 2.859 0.000 0.229) 2.868 13.962 ( -2.138 0.000 0.855) 2.302 14.042 ( 7.992 0.000 -10.451) 13.157 14.174 ( 0.512 0.000 4.506) 4.535 14.292 ( -2.113 0.000 -1.918) 2.854 14.537 ( 3.922 0.000 -0.443) 3.947 14.558 ( 2.512 0.000 2.626) 3.634 14.794 ( 6.304 0.000 -0.964) 6.377 15.001 ( -1.206 0.000 -8.892) 8.974 15.045 ( -4.365 0.000 4.433) 6.222 15.357 ( 7.078 0.000 3.728) 8.000 15.593 ( -3.405 0.000 1.659) 3.788 15.701 ( 0.391 0.000 -1.664) 1.709 16.160 ( -12.527 0.000 13.306) 18.275 16.293 ( -2.420 0.000 -2.281) 3.326 17.536 ( 1.642 0.000 -0.090) 1.644 17.729 ( 5.481 0.000 0.722) 5.529 18.072 ( 4.172 0.000 -0.949) 4.278 18.109 ( 14.658 0.000 -8.404) 16.896 18.469 ( -0.939 0.000 -0.372) 1.010 18.475 ( 0.438 0.000 1.670) 1.727 18.886 ( 2.565 0.000 0.669) 2.650 19.135 ( 2.392 0.000 2.144) 3.212 19.136 ( 1.841 0.000 -5.292) 5.603 19.518 ( 8.493 0.000 1.778) 8.677 19.715 ( 6.318 0.000 6.030) 8.734 19.732 ( 1.977 0.000 -1.118) 2.271 20.125 ( 2.636 0.000 -0.659) 2.717 20.195 ( 3.232 0.000 -1.001) 3.384 20.353 ( -2.274 0.000 0.602) 2.352 20.365 ( -5.128 0.000 -1.921) 5.476 20.921 ( -14.375 0.000 -0.856) 14.400 21.263 ( -7.359 0.000 1.524) 7.515 21.264 ( -6.163 0.000 4.461) 7.609 21.370 ( -12.943 0.000 -5.716) 14.149 21.624 ( 5.933 0.000 2.627) 6.488 21.698 ( -5.758 0.000 -5.767) 8.149 21.941 ( -13.166 0.000 9.309) 16.124 22.145 ( -0.620 0.000 -0.887) 1.082 23.242 ( 4.954 0.000 0.134) 4.956 23.244 ( 0.807 0.000 -0.847) 1.170 23.325 ( 4.622 0.000 1.480) 4.853 23.339 ( 0.057 0.000 -1.737) 1.738 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 24.490 0.000 14.430) 28.425 1.749 ( 26.460 0.000 18.083) 32.048 2.060 ( 8.789 0.000 -14.426) 16.893 2.205 ( 15.101 0.000 -11.646) 19.070 2.529 ( -2.674 0.000 -7.068) 7.557 2.554 ( 8.566 0.000 -2.054) 8.809 2.702 ( 16.631 0.000 10.948) 19.911 2.715 ( -2.459 0.000 0.683) 2.552 2.759 ( -0.858 0.000 0.905) 1.247 2.885 ( -1.980 0.000 -4.906) 5.290 2.890 ( -7.947 0.000 3.490) 8.680 2.989 ( -7.467 0.000 -6.949) 10.200 3.122 ( -3.763 0.000 12.432) 12.989 3.133 ( -4.943 0.000 4.343) 6.580 3.299 ( -3.921 0.000 0.591) 3.965 3.319 ( 6.827 0.000 3.014) 7.463 3.404 ( -2.974 0.000 -3.621) 4.686 3.506 ( 14.849 0.000 4.803) 15.606 3.516 ( -6.534 0.000 -1.296) 6.661 3.597 ( -13.870 0.000 -2.536) 14.100 3.660 ( 1.082 0.000 0.745) 1.314 3.687 ( 8.594 0.000 -4.737) 9.813 3.701 ( -5.289 0.000 0.406) 5.305 3.770 ( 7.747 0.000 -5.165) 9.311 3.889 ( 3.926 0.000 5.426) 6.697 3.970 ( 1.405 0.000 0.847) 1.641 4.003 ( 8.786 0.000 7.173) 11.342 4.101 ( -0.938 0.000 -4.249) 4.351 4.133 ( 9.100 0.000 4.848) 10.311 4.177 ( -0.593 0.000 -7.150) 7.174 4.251 ( 1.893 0.000 -1.887) 2.673 4.361 ( 5.949 0.000 7.767) 9.783 4.425 ( 5.493 0.000 -4.276) 6.962 4.535 ( -2.225 0.000 2.413) 3.282 4.542 ( 2.023 0.000 2.537) 3.245 4.598 ( 0.850 0.000 -2.231) 2.388 4.663 ( 12.740 0.000 -3.592) 13.236 4.718 ( -0.442 0.000 1.106) 1.191 4.761 ( 9.528 0.000 -6.378) 11.466 4.808 ( 3.177 0.000 0.431) 3.206 4.923 ( 1.108 0.000 -4.730) 4.858 4.980 ( 3.891 0.000 -1.637) 4.221 5.077 ( -1.357 0.000 -2.547) 2.886 5.088 ( 2.669 0.000 3.118) 4.104 5.129 ( 0.223 0.000 5.381) 5.386 5.222 ( 2.777 0.000 -4.264) 5.089 5.273 ( 3.170 0.000 -2.171) 3.842 5.448 ( -3.054 0.000 -5.230) 6.056 5.552 ( 2.042 0.000 -1.670) 2.638 5.652 ( 0.555 0.000 5.219) 5.249 5.829 ( -10.045 0.000 -2.874) 10.448 5.851 ( -1.812 0.000 7.370) 7.590 5.919 ( 7.391 0.000 3.262) 8.079 5.955 ( 0.426 0.000 -4.516) 4.536 6.027 ( 8.056 0.000 -6.591) 10.409 6.110 ( -20.781 0.000 -6.214) 21.690 6.130 ( -7.213 0.000 3.027) 7.822 6.197 ( -0.077 0.000 1.685) 1.687 6.376 ( -1.179 0.000 -9.472) 9.545 6.448 ( 1.223 0.000 -0.258) 1.250 6.606 ( 1.377 0.000 4.459) 4.667 6.608 ( 0.458 0.000 4.294) 4.318 6.780 ( 6.935 0.000 -1.427) 7.080 6.791 ( -3.329 0.000 10.324) 10.848 6.879 ( -4.054 0.000 3.236) 5.187 6.934 ( -4.234 0.000 -5.612) 7.030 6.994 ( -4.065 0.000 1.129) 4.219 7.062 ( 2.748 0.000 9.133) 9.538 7.116 ( -5.390 0.000 9.666) 11.067 7.145 ( 3.702 0.000 -2.233) 4.323 7.229 ( -2.669 0.000 -4.768) 5.464 7.376 ( -4.282 0.000 -4.806) 6.437 7.385 ( 0.072 0.000 1.625) 1.627 7.470 ( -8.153 0.000 -0.875) 8.199 7.511 ( -3.376 0.000 -6.536) 7.357 7.646 ( -5.297 0.000 6.214) 8.165 7.678 ( 1.782 0.000 -4.709) 5.035 7.725 ( -7.195 0.000 5.154) 8.851 7.908 ( -4.278 0.000 3.988) 5.848 7.995 ( -9.828 0.000 -4.817) 10.945 8.061 ( -17.308 0.000 6.148) 18.367 8.176 ( -10.373 0.000 0.757) 10.400 8.203 ( 2.475 0.000 2.610) 3.597 8.299 ( 5.203 0.000 0.873) 5.276 8.324 ( -0.220 0.000 -6.993) 6.996 8.433 ( -10.615 0.000 8.252) 13.445 8.590 ( -9.693 0.000 -4.687) 10.767 8.788 ( 0.694 0.000 -1.264) 1.442 8.806 ( -0.422 0.000 -3.253) 3.281 8.885 ( 1.687 0.000 7.590) 7.775 8.939 ( 0.261 0.000 -4.903) 4.910 9.157 ( 11.009 0.000 -2.141) 11.215 9.189 ( 6.348 0.000 1.584) 6.542 9.251 ( 0.722 0.000 -1.313) 1.498 9.337 ( 3.377 0.000 0.858) 3.484 9.410 ( -2.028 0.000 5.140) 5.526 9.469 ( 0.993 0.000 -0.993) 1.405 9.522 ( 4.557 0.000 -1.379) 4.762 9.662 ( 2.800 0.000 2.689) 3.882 9.712 ( 1.907 0.000 3.693) 4.156 9.797 ( -0.546 0.000 -2.231) 2.297 10.078 ( -0.172 0.000 5.861) 5.864 10.142 ( 8.322 0.000 -8.347) 11.787 10.181 ( -2.466 0.000 -1.458) 2.864 10.213 ( 2.914 0.000 -7.211) 7.778 10.266 ( 2.758 0.000 -2.029) 3.424 10.445 ( -2.147 0.000 0.758) 2.277 10.502 ( 2.320 0.000 1.120) 2.577 10.515 ( 0.249 0.000 5.064) 5.070 10.576 ( 3.184 0.000 -2.676) 4.159 10.596 ( 2.800 0.000 -1.576) 3.213 10.723 ( 1.019 0.000 0.862) 1.335 10.732 ( 0.080 0.000 -2.256) 2.258 10.771 ( 2.927 0.000 -6.898) 7.494 10.892 ( 1.236 0.000 -2.134) 2.466 10.912 ( -1.217 0.000 -1.615) 2.022 10.946 ( -0.732 0.000 1.181) 1.390 11.092 ( -3.671 0.000 2.738) 4.579 11.141 ( 3.891 0.000 -2.608) 4.684 11.181 ( 0.893 0.000 5.315) 5.389 11.274 ( -4.967 0.000 -4.365) 6.612 11.287 ( -8.354 0.000 2.904) 8.844 11.335 ( -1.192 0.000 4.892) 5.035 11.584 ( 7.096 0.000 -11.392) 13.421 11.600 ( 4.393 0.000 0.801) 4.466 11.750 ( 3.789 0.000 3.323) 5.040 11.831 ( 5.131 0.000 3.620) 6.280 11.899 ( 6.553 0.000 2.308) 6.948 11.976 ( -3.830 0.000 -5.613) 6.796 12.067 ( -3.969 0.000 0.637) 4.020 12.152 ( -3.601 0.000 0.296) 3.613 12.216 ( -2.124 0.000 3.294) 3.920 12.389 ( 3.142 0.000 -3.235) 4.510 12.494 ( 0.949 0.000 4.267) 4.372 12.592 ( -3.604 0.000 -1.406) 3.868 12.807 ( -1.170 0.000 -6.273) 6.381 13.486 ( 0.699 0.000 4.848) 4.899 13.872 ( -0.332 0.000 0.295) 0.444 13.923 ( -2.604 0.000 2.107) 3.350 14.092 ( 1.424 0.000 -5.612) 5.790 14.188 ( -1.088 0.000 3.238) 3.416 14.242 ( 1.177 0.000 -3.996) 4.166 14.605 ( 2.809 0.000 -4.142) 5.004 14.615 ( 0.790 0.000 2.091) 2.235 14.900 ( 4.872 0.000 0.043) 4.872 14.915 ( -0.952 0.000 -7.714) 7.773 15.057 ( 2.283 0.000 2.823) 3.631 15.449 ( -0.450 0.000 -0.400) 0.602 15.597 ( 2.520 0.000 4.484) 5.144 15.679 ( -0.906 0.000 -4.449) 4.541 16.055 ( -7.536 0.000 13.811) 15.733 16.234 ( -1.101 0.000 -3.809) 3.965 17.592 ( 3.862 0.000 -0.671) 3.920 17.847 ( 5.581 0.000 0.044) 5.581 18.167 ( 4.479 0.000 1.399) 4.693 18.232 ( 1.994 0.000 -3.473) 4.005 18.494 ( 0.563 0.000 1.012) 1.158 18.496 ( 5.407 0.000 -5.443) 7.672 18.945 ( 2.013 0.000 5.531) 5.886 19.183 ( 5.290 0.000 -1.630) 5.535 19.261 ( 9.214 0.000 -1.655) 9.361 19.692 ( 7.654 0.000 1.955) 7.900 19.801 ( 5.017 0.000 -0.740) 5.071 19.922 ( 9.508 0.000 7.794) 12.295 20.157 ( -7.435 0.000 -0.242) 7.439 20.197 ( 5.617 0.000 -2.613) 6.195 20.275 ( -3.081 0.000 -4.817) 5.718 20.291 ( -3.566 0.000 -0.093) 3.567 20.672 ( -5.829 0.000 -2.316) 6.272 20.991 ( -17.871 0.000 -4.479) 18.424 21.131 ( -10.112 0.000 -0.632) 10.132 21.139 ( -9.378 0.000 4.255) 10.298 21.550 ( -5.293 0.000 -3.099) 6.134 21.725 ( 2.712 0.000 1.507) 3.103 21.766 ( -10.436 0.000 9.845) 14.346 22.088 ( -3.666 0.000 -2.655) 4.527 23.270 ( 2.101 0.000 0.102) 2.103 23.324 ( 3.240 0.000 0.149) 3.244 23.334 ( 0.423 0.000 -1.398) 1.460 23.428 ( 4.353 0.000 0.519) 4.384 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 18.467 0.000 12.468) 22.282 2.228 ( 16.852 0.000 -1.718) 16.939 2.332 ( -12.201 0.000 -3.485) 12.689 2.388 ( 19.883 0.000 9.290) 21.947 2.468 ( 16.550 0.000 -8.905) 18.793 2.591 ( -1.768 0.000 -3.600) 4.011 2.662 ( -5.493 0.000 -1.236) 5.630 2.699 ( -17.607 0.000 -0.855) 17.628 2.729 ( 2.231 0.000 0.032) 2.231 2.891 ( 5.019 0.000 -0.006) 5.019 2.902 ( -1.552 0.000 0.532) 1.641 2.950 ( 4.396 0.000 5.697) 7.196 2.986 ( -6.250 0.000 -1.679) 6.472 3.034 ( -8.100 0.000 5.315) 9.688 3.068 ( -5.494 0.000 -1.545) 5.707 3.171 ( -5.846 0.000 -2.983) 6.563 3.390 ( -0.269 0.000 5.407) 5.414 3.391 ( -11.543 0.000 0.842) 11.574 3.591 ( 5.329 0.000 5.314) 7.526 3.591 ( 1.587 0.000 1.345) 2.081 3.743 ( 4.199 0.000 1.756) 4.551 3.771 ( 3.147 0.000 -3.967) 5.063 3.857 ( -0.243 0.000 1.179) 1.204 3.964 ( 6.299 0.000 -2.366) 6.729 4.012 ( -0.974 0.000 -4.984) 5.078 4.018 ( 5.905 0.000 -2.186) 6.297 4.074 ( 9.480 0.000 -1.025) 9.535 4.125 ( 2.378 0.000 -5.136) 5.660 4.173 ( -1.851 0.000 6.119) 6.393 4.270 ( 7.103 0.000 7.101) 10.044 4.306 ( -4.217 0.000 -2.905) 5.120 4.390 ( -2.057 0.000 -3.291) 3.881 4.558 ( -1.182 0.000 -6.597) 6.702 4.566 ( -2.420 0.000 2.587) 3.542 4.570 ( -3.738 0.000 3.956) 5.443 4.596 ( 7.678 0.000 1.987) 7.931 4.740 ( 2.873 0.000 2.322) 3.694 4.765 ( 4.000 0.000 3.347) 5.215 4.787 ( -0.399 0.000 1.586) 1.636 4.998 ( 2.671 0.000 -3.943) 4.762 5.011 ( 7.747 0.000 1.428) 7.878 5.054 ( -11.980 0.000 4.319) 12.735 5.070 ( 20.724 0.000 -6.882) 21.836 5.129 ( 4.366 0.000 -0.603) 4.408 5.175 ( 3.898 0.000 -0.113) 3.899 5.225 ( -1.393 0.000 -6.640) 6.784 5.335 ( 2.921 0.000 2.712) 3.986 5.362 ( 1.026 0.000 -3.755) 3.893 5.501 ( -6.403 0.000 1.880) 6.673 5.534 ( -8.233 0.000 -0.273) 8.238 5.712 ( -1.361 0.000 4.361) 4.568 5.793 ( 1.285 0.000 -7.218) 7.332 5.839 ( -7.119 0.000 5.427) 8.952 5.878 ( -8.893 0.000 -1.029) 8.953 5.972 ( -6.014 0.000 -4.417) 7.461 6.023 ( 4.927 0.000 2.304) 5.439 6.129 ( 3.299 0.000 -6.022) 6.866 6.260 ( 7.528 0.000 -1.119) 7.611 6.419 ( 9.478 0.000 -10.362) 14.043 6.435 ( -4.503 0.000 0.347) 4.517 6.652 ( -1.162 0.000 0.811) 1.417 6.698 ( 1.291 0.000 -1.255) 1.801 6.756 ( -8.373 0.000 8.990) 12.285 6.818 ( -1.535 0.000 10.434) 10.546 6.835 ( 2.976 0.000 2.124) 3.656 6.906 ( 3.308 0.000 1.528) 3.644 6.965 ( -3.463 0.000 0.978) 3.599 7.081 ( -1.486 0.000 -7.161) 7.314 7.111 ( -0.370 0.000 10.886) 10.892 7.197 ( -0.182 0.000 -4.448) 4.452 7.201 ( -4.941 0.000 -8.057) 9.451 7.308 ( 0.550 0.000 -3.141) 3.189 7.364 ( -5.067 0.000 0.534) 5.095 7.378 ( 10.036 0.000 13.235) 16.610 7.456 ( 0.406 0.000 -4.427) 4.446 7.580 ( -6.629 0.000 -2.962) 7.260 7.609 ( -3.214 0.000 6.930) 7.639 7.645 ( -2.942 0.000 3.078) 4.258 7.777 ( -11.749 0.000 3.827) 12.357 7.851 ( -5.456 0.000 7.883) 9.587 7.881 ( 2.446 0.000 -9.704) 10.007 7.988 ( -6.635 0.000 1.912) 6.905 8.231 ( -1.218 0.000 -3.658) 3.855 8.287 ( -8.102 0.000 6.010) 10.088 8.316 ( 3.192 0.000 -4.419) 5.451 8.423 ( 4.773 0.000 -1.753) 5.085 8.427 ( -1.471 0.000 -0.913) 1.731 8.704 ( -3.695 0.000 -2.850) 4.666 8.808 ( -3.542 0.000 -0.557) 3.585 8.809 ( 0.606 0.000 -1.035) 1.199 9.036 ( 2.183 0.000 2.818) 3.565 9.191 ( -2.570 0.000 -0.063) 2.571 9.280 ( 1.996 0.000 -3.572) 4.092 9.329 ( -0.377 0.000 7.575) 7.585 9.411 ( 3.929 0.000 -1.877) 4.354 9.439 ( 3.251 0.000 1.636) 3.640 9.497 ( 1.090 0.000 -1.049) 1.513 9.602 ( 4.290 0.000 -1.403) 4.513 9.717 ( -1.708 0.000 1.163) 2.066 9.718 ( 4.304 0.000 -3.086) 5.296 9.858 ( 4.953 0.000 4.535) 6.716 10.016 ( -9.597 0.000 0.081) 9.597 10.062 ( -1.991 0.000 -1.661) 2.592 10.150 ( -0.263 0.000 -7.894) 7.898 10.285 ( 5.578 0.000 -2.395) 6.070 10.409 ( -1.105 0.000 -1.660) 1.995 10.415 ( 6.704 0.000 -0.880) 6.762 10.510 ( -2.314 0.000 3.472) 4.172 10.579 ( 2.322 0.000 2.971) 3.771 10.664 ( 4.329 0.000 1.174) 4.485 10.675 ( 1.747 0.000 -1.946) 2.615 10.716 ( 7.775 0.000 -0.861) 7.823 10.748 ( 0.043 0.000 2.997) 2.997 10.812 ( -1.225 0.000 -6.186) 6.306 10.874 ( -0.688 0.000 -3.897) 3.957 10.887 ( 1.853 0.000 4.869) 5.210 10.939 ( 0.406 0.000 -0.139) 0.429 11.006 ( -6.303 0.000 1.104) 6.399 11.144 ( -6.197 0.000 4.550) 7.688 11.188 ( -1.302 0.000 -1.168) 1.749 11.192 ( 1.739 0.000 -2.496) 3.042 11.206 ( -1.900 0.000 4.138) 4.553 11.348 ( -0.514 0.000 4.205) 4.236 11.593 ( 1.634 0.000 -13.018) 13.120 11.691 ( 2.295 0.000 5.220) 5.702 11.816 ( 0.179 0.000 1.350) 1.362 11.897 ( 0.161 0.000 -2.767) 2.771 11.903 ( 1.436 0.000 -4.083) 4.328 11.964 ( -3.070 0.000 4.196) 5.199 12.037 ( 2.607 0.000 -0.952) 2.775 12.114 ( -0.625 0.000 1.363) 1.500 12.277 ( 5.011 0.000 8.839) 10.161 12.377 ( -0.480 0.000 -7.260) 7.276 12.518 ( -3.683 0.000 1.291) 3.903 12.535 ( -1.188 0.000 2.445) 2.718 12.784 ( 2.457 0.000 -1.804) 3.048 13.522 ( -0.217 0.000 4.592) 4.597 13.891 ( 1.853 0.000 1.655) 2.485 13.896 ( -1.911 0.000 3.745) 4.204 14.072 ( 0.233 0.000 -1.545) 1.563 14.173 ( -1.978 0.000 0.788) 2.129 14.257 ( 1.613 0.000 -4.826) 5.088 14.587 ( -2.625 0.000 -3.018) 4.000 14.602 ( 1.122 0.000 -6.738) 6.831 14.922 ( 4.218 0.000 -0.024) 4.218 14.973 ( 1.772 0.000 1.019) 2.044 15.137 ( 3.318 0.000 3.825) 5.064 15.421 ( -0.728 0.000 -0.992) 1.231 15.610 ( -2.123 0.000 -7.787) 8.071 15.629 ( -1.957 0.000 -0.982) 2.189 16.011 ( -5.641 0.000 11.307) 12.636 16.222 ( 1.869 0.000 -2.098) 2.810 17.662 ( 3.072 0.000 0.166) 3.077 17.904 ( 0.319 0.000 -3.846) 3.859 18.235 ( 1.072 0.000 2.345) 2.578 18.242 ( 1.405 0.000 2.800) 3.133 18.505 ( -0.039 0.000 0.025) 0.046 18.566 ( 4.801 0.000 -5.696) 7.450 19.037 ( 2.376 0.000 10.012) 10.290 19.300 ( 4.930 0.000 1.816) 5.254 19.425 ( 7.335 0.000 -1.312) 7.451 19.806 ( 1.642 0.000 -1.094) 1.973 19.870 ( 0.335 0.000 0.997) 1.052 20.019 ( -4.018 0.000 -0.385) 4.037 20.060 ( -1.759 0.000 0.431) 1.811 20.158 ( -0.664 0.000 -3.207) 3.275 20.276 ( 3.203 0.000 -1.706) 3.629 20.330 ( 7.114 0.000 1.624) 7.297 20.632 ( -11.027 0.000 -4.475) 11.900 20.701 ( 7.325 0.000 -2.811) 7.846 20.902 ( -11.348 0.000 -5.275) 12.514 20.948 ( -11.833 0.000 1.366) 11.911 21.484 ( -0.546 0.000 0.884) 1.039 21.670 ( -5.325 0.000 9.366) 10.774 21.745 ( -0.706 0.000 -1.574) 1.725 22.010 ( -1.271 0.000 -3.018) 3.275 23.314 ( 1.201 0.000 0.881) 1.490 23.340 ( 1.051 0.000 0.250) 1.081 23.365 ( 0.970 0.000 -0.310) 1.018 23.482 ( 1.051 0.000 -0.782) 1.310 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -26.440 0.000 4.309) 26.789 2.043 ( -32.684 0.000 -1.968) 32.744 2.451 ( -4.177 0.000 4.553) 6.179 2.477 ( 4.715 0.000 0.479) 4.739 2.561 ( -10.075 0.000 -7.331) 12.459 2.593 ( 7.845 0.000 4.047) 8.828 2.602 ( 11.194 0.000 2.738) 11.524 2.643 ( -5.204 0.000 -1.529) 5.424 2.806 ( -6.738 0.000 -2.096) 7.056 2.878 ( -5.429 0.000 0.600) 5.462 2.881 ( 13.918 0.000 0.954) 13.951 2.923 ( 2.180 0.000 -3.519) 4.140 3.046 ( -4.205 0.000 1.137) 4.356 3.111 ( 6.834 0.000 6.832) 9.663 3.196 ( 19.517 0.000 4.644) 20.062 3.236 ( 11.243 0.000 -8.301) 13.976 3.342 ( 9.669 0.000 7.720) 12.373 3.437 ( 0.443 0.000 7.058) 7.072 3.613 ( -0.030 0.000 0.810) 0.810 3.661 ( -5.218 0.000 0.661) 5.260 3.708 ( -6.924 0.000 2.954) 7.528 3.778 ( -0.027 0.000 -2.921) 2.922 3.799 ( -3.891 0.000 -0.798) 3.972 3.916 ( -11.064 0.000 -3.191) 11.515 3.981 ( -3.159 0.000 -0.970) 3.304 3.995 ( -9.803 0.000 1.272) 9.885 4.036 ( -0.755 0.000 0.713) 1.039 4.099 ( -8.713 0.000 2.060) 8.954 4.170 ( 0.837 0.000 -1.830) 2.012 4.283 ( -2.394 0.000 -5.595) 6.086 4.331 ( -5.323 0.000 3.988) 6.652 4.337 ( 4.952 0.000 -3.611) 6.128 4.444 ( -4.205 0.000 3.869) 5.715 4.469 ( -1.167 0.000 -7.928) 8.014 4.481 ( 0.307 0.000 -3.087) 3.102 4.636 ( -1.746 0.000 -0.353) 1.782 4.705 ( -8.121 0.000 -1.840) 8.327 4.723 ( -0.161 0.000 6.091) 6.093 4.891 ( -0.094 0.000 -4.238) 4.239 4.968 ( -1.865 0.000 5.543) 5.848 5.003 ( -0.650 0.000 0.262) 0.701 5.056 ( -3.165 0.000 1.035) 3.330 5.077 ( -4.177 0.000 -5.594) 6.981 5.242 ( -0.401 0.000 1.075) 1.148 5.258 ( 5.956 0.000 -4.568) 7.506 5.362 ( 1.482 0.000 -11.283) 11.380 5.415 ( 10.185 0.000 -1.178) 10.253 5.433 ( 1.683 0.000 6.101) 6.329 5.463 ( 0.214 0.000 7.992) 7.995 5.531 ( -8.706 0.000 -2.381) 9.025 5.635 ( 4.155 0.000 4.104) 5.840 5.738 ( -6.507 0.000 2.416) 6.941 5.784 ( 4.096 0.000 -0.446) 4.120 5.899 ( 9.963 0.000 8.801) 13.293 5.947 ( 7.187 0.000 -6.987) 10.024 6.059 ( -9.177 0.000 -3.168) 9.708 6.190 ( 10.287 0.000 6.685) 12.269 6.362 ( 5.320 0.000 -4.642) 7.060 6.409 ( -2.642 0.000 -0.438) 2.678 6.486 ( -5.494 0.000 -0.916) 5.570 6.509 ( 1.468 0.000 -4.126) 4.379 6.609 ( 0.800 0.000 -6.733) 6.781 6.819 ( 0.028 0.000 -0.212) 0.214 6.846 ( -2.233 0.000 -1.986) 2.989 6.858 ( 2.676 0.000 8.875) 9.269 6.909 ( -1.867 0.000 -3.339) 3.825 6.939 ( -2.269 0.000 -5.117) 5.598 7.006 ( -2.315 0.000 5.180) 5.674 7.135 ( -1.288 0.000 11.922) 11.992 7.182 ( 2.273 0.000 -5.224) 5.697 7.182 ( 2.170 0.000 -0.048) 2.170 7.319 ( 2.555 0.000 2.823) 3.807 7.351 ( 2.775 0.000 -0.253) 2.787 7.355 ( -5.141 0.000 1.646) 5.398 7.458 ( 0.862 0.000 -3.135) 3.251 7.550 ( -10.696 0.000 3.114) 11.140 7.600 ( -1.185 0.000 2.898) 3.131 7.697 ( 6.174 0.000 5.935) 8.564 7.814 ( 19.113 0.000 -0.019) 19.113 7.898 ( 4.596 0.000 -3.841) 5.990 7.917 ( 4.285 0.000 11.105) 11.904 7.998 ( 5.750 0.000 -1.361) 5.909 8.123 ( -3.773 0.000 -6.802) 7.779 8.188 ( -4.316 0.000 2.296) 4.888 8.380 ( -6.311 0.000 -4.848) 7.958 8.430 ( 9.016 0.000 -0.360) 9.024 8.515 ( 7.234 0.000 1.201) 7.333 8.696 ( 5.039 0.000 -4.290) 6.618 8.766 ( -1.718 0.000 1.530) 2.301 8.825 ( 1.616 0.000 -0.424) 1.671 9.007 ( -3.632 0.000 -1.040) 3.778 9.203 ( 1.566 0.000 2.326) 2.804 9.238 ( -3.741 0.000 -1.410) 3.998 9.333 ( -2.618 0.000 7.896) 8.319 9.440 ( -5.010 0.000 -2.189) 5.468 9.442 ( -3.806 0.000 0.797) 3.889 9.478 ( 2.715 0.000 -2.089) 3.425 9.613 ( -2.036 0.000 -3.929) 4.425 9.713 ( -8.515 0.000 -0.153) 8.516 9.716 ( 0.616 0.000 1.779) 1.883 9.889 ( 2.751 0.000 -4.580) 5.343 9.974 ( -1.054 0.000 -0.103) 1.059 10.013 ( 1.218 0.000 2.816) 3.068 10.138 ( 4.027 0.000 -5.625) 6.918 10.318 ( -0.222 0.000 -0.331) 0.399 10.430 ( 3.293 0.000 -0.517) 3.333 10.463 ( -4.367 0.000 3.146) 5.382 10.474 ( 0.016 0.000 2.588) 2.588 10.600 ( -0.663 0.000 -2.605) 2.688 10.659 ( -2.790 0.000 -5.827) 6.461 10.717 ( 1.584 0.000 -1.480) 2.168 10.768 ( -0.848 0.000 5.245) 5.313 10.783 ( 3.720 0.000 0.663) 3.779 10.832 ( -3.879 0.000 2.967) 4.883 10.842 ( 0.751 0.000 -2.390) 2.505 10.913 ( 3.048 0.000 -4.113) 5.119 10.973 ( 1.376 0.000 1.042) 1.726 11.013 ( 4.336 0.000 6.150) 7.525 11.100 ( 0.318 0.000 4.947) 4.957 11.146 ( -3.924 0.000 1.902) 4.360 11.190 ( -0.697 0.000 -0.785) 1.050 11.216 ( 2.380 0.000 -1.688) 2.918 11.379 ( 1.525 0.000 2.799) 3.188 11.501 ( -1.830 0.000 -12.618) 12.750 11.741 ( -1.391 0.000 7.676) 7.801 11.772 ( -2.906 0.000 -0.802) 3.015 11.803 ( -5.230 0.000 -2.943) 6.001 11.992 ( -1.260 0.000 -0.242) 1.283 11.996 ( 7.091 0.000 1.060) 7.170 12.024 ( 1.491 0.000 -0.823) 1.703 12.156 ( 3.058 0.000 2.288) 3.819 12.303 ( -1.834 0.000 -6.783) 7.027 12.429 ( -2.375 0.000 13.244) 13.455 12.489 ( -2.164 0.000 -2.457) 3.274 12.511 ( 6.887 0.000 -0.786) 6.931 12.845 ( 3.277 0.000 -0.979) 3.420 13.541 ( -1.342 0.000 6.802) 6.933 13.888 ( -1.338 0.000 3.003) 3.287 13.946 ( 1.025 0.000 4.004) 4.133 14.104 ( 4.092 0.000 -2.071) 4.586 14.124 ( -2.447 0.000 -1.169) 2.712 14.226 ( -1.171 0.000 -4.988) 5.123 14.519 ( -1.440 0.000 -4.590) 4.810 14.586 ( 1.945 0.000 -7.341) 7.594 14.967 ( -2.787 0.000 -1.109) 3.000 15.040 ( 5.606 0.000 3.698) 6.716 15.228 ( 2.152 0.000 8.680) 8.943 15.419 ( 0.671 0.000 -1.144) 1.326 15.512 ( -1.902 0.000 -9.309) 9.501 15.516 ( -5.952 0.000 -5.715) 8.252 15.963 ( -5.806 0.000 8.505) 10.298 16.265 ( 2.738 0.000 -0.043) 2.738 17.698 ( -0.461 0.000 2.088) 2.138 17.824 ( -4.227 0.000 -5.552) 6.978 18.245 ( -1.323 0.000 2.037) 2.429 18.327 ( 4.176 0.000 3.751) 5.613 18.486 ( -1.521 0.000 -0.851) 1.743 18.611 ( 3.358 0.000 -4.691) 5.769 19.166 ( 2.176 0.000 17.986) 18.117 19.325 ( -3.692 0.000 2.370) 4.387 19.495 ( -0.400 0.000 1.236) 1.299 19.678 ( -8.601 0.000 -7.941) 11.706 19.904 ( 2.626 0.000 2.804) 3.841 19.920 ( -11.318 0.000 -4.590) 12.214 20.039 ( 3.955 0.000 1.824) 4.355 20.213 ( -4.318 0.000 -5.633) 7.097 20.273 ( 9.474 0.000 2.677) 9.845 20.338 ( 0.958 0.000 -3.018) 3.166 20.623 ( -9.998 0.000 -10.036) 14.166 20.715 ( -9.927 0.000 -2.470) 10.230 20.809 ( 17.752 0.000 2.811) 17.973 20.855 ( 9.531 0.000 -2.840) 9.945 21.527 ( 2.990 0.000 3.287) 4.444 21.678 ( 0.519 0.000 7.981) 7.998 21.689 ( -2.609 0.000 -3.907) 4.699 22.019 ( 3.444 0.000 -2.536) 4.276 23.316 ( -0.953 0.000 0.920) 1.325 23.357 ( -1.420 0.000 -0.663) 1.567 23.378 ( 1.163 0.000 1.949) 2.270 23.458 ( -2.460 0.000 -2.027) 3.188 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -32.824 0.000 4.602) 33.145 1.370 ( -34.963 0.000 3.083) 35.099 2.213 ( -37.387 0.000 2.660) 37.481 2.327 ( -4.900 0.000 -13.784) 14.629 2.378 ( -15.142 0.000 0.972) 15.173 2.459 ( 0.260 0.000 6.105) 6.111 2.561 ( -8.073 0.000 -5.249) 9.630 2.740 ( 2.485 0.000 3.110) 3.981 2.745 ( 1.247 0.000 -1.458) 1.918 2.929 ( 7.114 0.000 4.623) 8.484 2.944 ( 2.295 0.000 -6.049) 6.470 3.036 ( 4.743 0.000 3.704) 6.018 3.118 ( 5.589 0.000 6.029) 8.221 3.246 ( 3.754 0.000 0.863) 3.852 3.386 ( -2.980 0.000 4.243) 5.185 3.388 ( -8.687 0.000 -5.838) 10.466 3.460 ( -8.134 0.000 -2.403) 8.481 3.495 ( 0.811 0.000 3.953) 4.036 3.558 ( 1.014 0.000 -1.836) 2.098 3.631 ( 9.980 0.000 2.582) 10.309 3.675 ( -2.317 0.000 3.393) 4.109 3.704 ( 10.819 0.000 1.034) 10.868 3.757 ( 0.644 0.000 1.214) 1.374 3.833 ( -5.599 0.000 -3.439) 6.570 3.857 ( -6.760 0.000 -0.824) 6.810 3.910 ( 3.207 0.000 6.209) 6.988 3.982 ( -2.948 0.000 3.127) 4.297 4.041 ( -0.128 0.000 0.428) 0.447 4.148 ( -1.768 0.000 1.271) 2.177 4.248 ( 2.510 0.000 -2.742) 3.717 4.260 ( -2.698 0.000 -0.745) 2.799 4.298 ( -1.455 0.000 -8.304) 8.431 4.415 ( -3.750 0.000 2.790) 4.674 4.452 ( -9.253 0.000 -7.968) 12.211 4.469 ( -0.711 0.000 -2.785) 2.874 4.505 ( 0.769 0.000 0.601) 0.976 4.670 ( 4.248 0.000 1.350) 4.457 4.688 ( -4.942 0.000 6.645) 8.281 4.805 ( -7.052 0.000 -2.600) 7.516 4.890 ( -5.285 0.000 0.570) 5.315 4.918 ( -5.222 0.000 0.969) 5.311 5.022 ( 0.052 0.000 0.120) 0.130 5.025 ( -3.685 0.000 -2.084) 4.234 5.157 ( -8.259 0.000 -0.343) 8.266 5.246 ( -1.524 0.000 -4.273) 4.537 5.324 ( 0.750 0.000 -0.149) 0.764 5.378 ( -4.535 0.000 -10.116) 11.086 5.480 ( -4.309 0.000 9.905) 10.802 5.504 ( 1.872 0.000 0.981) 2.113 5.530 ( 2.178 0.000 -5.220) 5.656 5.637 ( 1.234 0.000 -1.177) 1.706 5.739 ( -0.437 0.000 9.282) 9.292 5.846 ( -5.075 0.000 -1.944) 5.434 5.881 ( 3.336 0.000 -1.819) 3.800 6.083 ( 7.179 0.000 -10.953) 13.096 6.139 ( 3.664 0.000 11.463) 12.034 6.245 ( -1.476 0.000 0.667) 1.619 6.317 ( 2.065 0.000 -4.063) 4.557 6.408 ( -7.868 0.000 6.804) 10.402 6.519 ( 8.348 0.000 -4.911) 9.686 6.568 ( 0.482 0.000 -8.908) 8.921 6.667 ( 2.533 0.000 7.795) 8.196 6.789 ( 8.507 0.000 2.573) 8.888 6.820 ( -2.371 0.000 -3.347) 4.102 6.909 ( 6.281 0.000 0.685) 6.319 6.915 ( 2.386 0.000 3.820) 4.504 6.969 ( 3.900 0.000 1.843) 4.314 6.991 ( -3.369 0.000 6.143) 7.006 7.168 ( -1.808 0.000 -5.623) 5.906 7.171 ( 1.600 0.000 -3.696) 4.027 7.294 ( 5.050 0.000 11.868) 12.898 7.320 ( 4.349 0.000 -5.261) 6.826 7.380 ( -1.455 0.000 -8.716) 8.837 7.411 ( -0.043 0.000 -2.194) 2.194 7.434 ( 2.944 0.000 3.880) 4.870 7.539 ( 7.913 0.000 6.784) 10.423 7.661 ( 3.788 0.000 6.547) 7.563 7.835 ( 0.338 0.000 3.428) 3.444 7.963 ( 1.731 0.000 -4.242) 4.582 8.048 ( 7.083 0.000 -3.486) 7.895 8.072 ( 2.860 0.000 -0.319) 2.878 8.102 ( 7.388 0.000 7.925) 10.835 8.178 ( 6.746 0.000 -1.242) 6.859 8.235 ( 6.451 0.000 1.007) 6.529 8.241 ( 5.009 0.000 -2.815) 5.746 8.540 ( 0.640 0.000 -0.515) 0.822 8.658 ( -0.584 0.000 6.778) 6.803 8.768 ( 6.858 0.000 -0.918) 6.919 8.773 ( 5.080 0.000 -6.383) 8.158 8.874 ( 2.904 0.000 1.460) 3.250 8.978 ( 2.274 0.000 -1.612) 2.788 9.093 ( -11.538 0.000 -0.072) 11.539 9.223 ( -0.598 0.000 0.809) 1.006 9.290 ( -7.219 0.000 -2.980) 7.810 9.350 ( -2.638 0.000 1.851) 3.223 9.361 ( -1.678 0.000 4.817) 5.101 9.394 ( -9.524 0.000 -1.948) 9.721 9.531 ( -3.738 0.000 -1.019) 3.874 9.588 ( -2.184 0.000 1.292) 2.537 9.696 ( -8.241 0.000 5.425) 9.866 9.892 ( -0.464 0.000 -4.834) 4.857 9.954 ( 6.462 0.000 -7.661) 10.022 10.077 ( 2.762 0.000 1.218) 3.019 10.224 ( 7.208 0.000 -5.209) 8.893 10.341 ( 0.276 0.000 3.358) 3.369 10.397 ( -2.625 0.000 3.865) 4.672 10.461 ( -9.216 0.000 1.824) 9.395 10.483 ( 1.735 0.000 -0.183) 1.745 10.507 ( 0.141 0.000 5.753) 5.755 10.620 ( 0.931 0.000 -5.648) 5.724 10.716 ( -3.680 0.000 -5.233) 6.397 10.754 ( 0.325 0.000 1.951) 1.978 10.755 ( -0.607 0.000 -0.318) 0.685 10.847 ( -1.008 0.000 -2.855) 3.028 10.899 ( 4.214 0.000 0.896) 4.308 10.916 ( -1.678 0.000 -0.852) 1.882 10.957 ( -3.697 0.000 2.995) 4.758 11.081 ( 4.543 0.000 -4.315) 6.266 11.086 ( -2.346 0.000 2.396) 3.353 11.180 ( 1.145 0.000 -2.613) 2.853 11.195 ( 3.155 0.000 0.030) 3.155 11.283 ( 1.174 0.000 6.014) 6.128 11.423 ( 2.491 0.000 -6.103) 6.592 11.423 ( 1.661 0.000 0.171) 1.670 11.678 ( -5.368 0.000 -3.310) 6.306 11.694 ( -4.576 0.000 1.848) 4.935 11.747 ( -3.595 0.000 6.751) 7.649 11.910 ( -3.523 0.000 -4.230) 5.505 12.096 ( 4.806 0.000 -2.961) 5.645 12.146 ( 5.834 0.000 2.488) 6.343 12.234 ( 2.998 0.000 1.434) 3.324 12.259 ( 1.702 0.000 -3.459) 3.855 12.414 ( -4.756 0.000 10.423) 11.456 12.444 ( -0.406 0.000 -3.423) 3.447 12.674 ( 7.160 0.000 0.498) 7.177 12.878 ( 1.810 0.000 -4.506) 4.856 13.549 ( -3.555 0.000 9.999) 10.612 13.893 ( 1.548 0.000 0.451) 1.612 13.954 ( -2.627 0.000 3.491) 4.369 14.075 ( -1.639 0.000 -1.772) 2.414 14.141 ( 2.117 0.000 -12.985) 13.157 14.213 ( 2.464 0.000 0.004) 2.464 14.479 ( -0.088 0.000 -3.285) 3.286 14.580 ( 1.495 0.000 -5.909) 6.095 14.836 ( -8.227 0.000 -5.647) 9.979 15.153 ( 3.507 0.000 2.027) 4.051 15.295 ( -7.811 0.000 -7.657) 10.939 15.343 ( 2.559 0.000 11.491) 11.773 15.450 ( 0.851 0.000 -0.964) 1.286 15.502 ( 4.088 0.000 1.018) 4.213 15.891 ( -6.155 0.000 6.266) 8.783 16.314 ( 1.909 0.000 0.515) 1.977 17.668 ( -4.087 0.000 3.379) 5.303 17.707 ( -3.787 0.000 -4.860) 6.161 18.204 ( -4.149 0.000 1.253) 4.334 18.420 ( 3.289 0.000 1.062) 3.456 18.453 ( -0.858 0.000 -0.636) 1.068 18.645 ( 3.397 0.000 -5.173) 6.189 19.254 ( -3.068 0.000 0.868) 3.188 19.348 ( -0.591 0.000 21.968) 21.976 19.461 ( -7.350 0.000 -9.487) 12.001 19.478 ( -1.398 0.000 13.322) 13.395 19.616 ( -11.613 0.000 -7.627) 13.894 19.913 ( -3.999 0.000 5.155) 6.524 20.170 ( 1.501 0.000 -11.488) 11.585 20.176 ( 6.429 0.000 0.281) 6.435 20.312 ( -1.299 0.000 -14.390) 14.449 20.343 ( -9.769 0.000 -2.643) 10.120 20.361 ( -3.035 0.000 -0.861) 3.155 20.703 ( 11.808 0.000 1.372) 11.888 21.033 ( 9.689 0.000 -1.119) 9.754 21.197 ( 17.540 0.000 4.470) 18.100 21.610 ( -2.956 0.000 -3.693) 4.730 21.615 ( 3.284 0.000 3.266) 4.632 21.773 ( 4.007 0.000 5.821) 7.067 22.081 ( 3.777 0.000 -2.517) 4.539 23.297 ( -1.569 0.000 1.064) 1.896 23.310 ( -2.637 0.000 -0.416) 2.670 23.373 ( -4.344 0.000 -2.548) 5.036 23.395 ( -0.536 0.000 1.564) 1.653 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -30.250 0.000 12.478) 32.723 0.779 ( -29.142 0.000 16.916) 33.696 1.361 ( -49.028 0.000 27.259) 56.096 2.158 ( -7.985 0.000 -1.295) 8.089 2.192 ( 1.544 0.000 -17.578) 17.646 2.458 ( -1.487 0.000 0.732) 1.658 2.525 ( 1.683 0.000 1.853) 2.503 2.768 ( -1.879 0.000 0.993) 2.125 2.773 ( 1.897 0.000 -1.667) 2.526 2.923 ( -0.375 0.000 -1.059) 1.124 2.930 ( -4.064 0.000 -0.372) 4.081 3.061 ( -5.956 0.000 1.022) 6.043 3.160 ( -2.091 0.000 4.102) 4.605 3.259 ( -0.175 0.000 -4.715) 4.718 3.261 ( -2.273 0.000 -6.045) 6.459 3.306 ( -7.121 0.000 2.609) 7.584 3.416 ( 8.381 0.000 4.218) 9.383 3.540 ( 0.118 0.000 -1.564) 1.569 3.559 ( -0.452 0.000 12.397) 12.406 3.618 ( -3.817 0.000 -1.864) 4.248 3.661 ( 0.350 0.000 -2.246) 2.273 3.693 ( -5.273 0.000 -1.322) 5.437 3.757 ( 1.587 0.000 4.150) 4.443 3.861 ( 1.180 0.000 -3.811) 3.990 3.866 ( -1.520 0.000 -0.151) 1.527 3.977 ( -3.390 0.000 -1.126) 3.572 4.027 ( -0.111 0.000 -4.620) 4.622 4.063 ( 3.038 0.000 -3.050) 4.305 4.117 ( -0.231 0.000 8.537) 8.540 4.160 ( -5.678 0.000 -2.126) 6.063 4.214 ( 4.101 0.000 -4.921) 6.406 4.279 ( 4.263 0.000 -2.432) 4.908 4.378 ( 1.240 0.000 0.758) 1.454 4.455 ( -0.887 0.000 1.004) 1.340 4.492 ( 12.428 0.000 0.341) 12.432 4.536 ( 1.768 0.000 -2.615) 3.157 4.624 ( -7.745 0.000 -2.068) 8.016 4.668 ( -1.032 0.000 5.301) 5.401 4.693 ( -5.056 0.000 0.321) 5.066 4.832 ( -7.718 0.000 -0.286) 7.723 4.880 ( -2.900 0.000 -5.042) 5.816 4.909 ( 9.451 0.000 0.171) 9.452 5.032 ( -3.393 0.000 -0.955) 3.525 5.034 ( -0.093 0.000 1.128) 1.132 5.189 ( -2.243 0.000 -3.819) 4.429 5.262 ( -6.861 0.000 2.149) 7.189 5.288 ( -1.928 0.000 -1.793) 2.633 5.401 ( -7.140 0.000 2.957) 7.728 5.462 ( -2.397 0.000 -6.722) 7.137 5.487 ( -4.352 0.000 3.555) 5.619 5.627 ( -5.040 0.000 -1.139) 5.167 5.704 ( 4.913 0.000 -4.058) 6.372 5.894 ( 0.326 0.000 -1.045) 1.095 5.995 ( 4.511 0.000 11.165) 12.042 6.071 ( 4.032 0.000 -9.856) 10.649 6.186 ( -3.919 0.000 4.142) 5.702 6.332 ( -4.433 0.000 8.675) 9.741 6.369 ( 8.220 0.000 3.916) 9.105 6.384 ( 5.836 0.000 -1.801) 6.108 6.487 ( -2.442 0.000 -4.445) 5.071 6.585 ( 1.337 0.000 -1.088) 1.724 6.668 ( 0.328 0.000 5.799) 5.808 6.824 ( 4.313 0.000 -2.998) 5.252 6.891 ( -4.535 0.000 3.534) 5.749 6.981 ( -0.238 0.000 -0.592) 0.638 7.033 ( 0.987 0.000 0.323) 1.039 7.051 ( 1.364 0.000 3.631) 3.879 7.123 ( 6.411 0.000 -2.309) 6.814 7.151 ( 1.620 0.000 -7.873) 8.038 7.161 ( 12.427 0.000 7.531) 14.531 7.245 ( -4.814 0.000 -7.399) 8.827 7.373 ( -1.646 0.000 -2.693) 3.156 7.386 ( 3.234 0.000 -1.857) 3.730 7.477 ( 0.713 0.000 9.056) 9.084 7.548 ( 10.065 0.000 -0.400) 10.073 7.745 ( 6.993 0.000 1.309) 7.114 7.784 ( -2.820 0.000 9.568) 9.975 7.796 ( 2.529 0.000 2.965) 3.897 7.880 ( -4.013 0.000 -5.664) 6.942 8.137 ( -1.303 0.000 4.587) 4.768 8.213 ( 7.126 0.000 -3.029) 7.743 8.252 ( 5.757 0.000 -0.635) 5.792 8.255 ( 4.746 0.000 0.330) 4.758 8.327 ( 11.028 0.000 2.482) 11.304 8.471 ( -5.011 0.000 2.571) 5.632 8.545 ( 14.435 0.000 3.658) 14.892 8.694 ( 3.028 0.000 7.222) 7.831 8.740 ( -10.233 0.000 -0.234) 10.235 8.852 ( 1.834 0.000 -12.151) 12.289 8.951 ( 9.158 0.000 -1.720) 9.318 8.976 ( -2.352 0.000 4.457) 5.039 9.018 ( 0.170 0.000 -2.791) 2.796 9.124 ( -7.648 0.000 -0.829) 7.693 9.212 ( -1.236 0.000 0.700) 1.420 9.237 ( -1.849 0.000 1.189) 2.198 9.255 ( -3.223 0.000 -1.541) 3.572 9.413 ( -2.186 0.000 6.273) 6.642 9.467 ( -3.733 0.000 4.137) 5.572 9.486 ( -9.857 0.000 2.921) 10.281 9.600 ( 1.736 0.000 1.890) 2.566 9.910 ( 2.722 0.000 -1.193) 2.972 10.045 ( 7.985 0.000 -3.014) 8.535 10.160 ( 5.350 0.000 -2.824) 6.050 10.289 ( -1.336 0.000 -2.626) 2.946 10.307 ( -4.108 0.000 -0.834) 4.191 10.352 ( 2.725 0.000 -3.255) 4.245 10.422 ( 0.300 0.000 4.509) 4.519 10.512 ( 0.890 0.000 2.181) 2.356 10.553 ( -2.909 0.000 -4.347) 5.231 10.583 ( 0.557 0.000 3.505) 3.549 10.644 ( -0.909 0.000 -2.989) 3.124 10.656 ( -7.483 0.000 1.744) 7.684 10.748 ( -3.293 0.000 -3.534) 4.830 10.820 ( 2.407 0.000 -0.785) 2.531 10.853 ( -0.397 0.000 -6.563) 6.575 10.901 ( -2.086 0.000 -0.014) 2.086 10.965 ( 0.676 0.000 -0.357) 0.765 11.101 ( 0.005 0.000 1.049) 1.049 11.105 ( 1.745 0.000 -11.861) 11.989 11.204 ( 2.271 0.000 2.857) 3.650 11.234 ( -1.182 0.000 0.529) 1.295 11.280 ( -0.645 0.000 -0.932) 1.133 11.450 ( 1.696 0.000 -0.916) 1.927 11.503 ( -2.032 0.000 2.933) 3.568 11.560 ( -1.425 0.000 -5.623) 5.801 11.616 ( -4.458 0.000 2.013) 4.891 11.691 ( -5.483 0.000 4.300) 6.968 11.765 ( -8.262 0.000 -15.265) 17.357 12.144 ( 1.372 0.000 -3.336) 3.607 12.217 ( 1.338 0.000 -0.661) 1.493 12.247 ( -1.946 0.000 -4.245) 4.669 12.309 ( 1.859 0.000 -0.321) 1.887 12.366 ( -5.924 0.000 6.709) 8.950 12.440 ( 2.065 0.000 -2.160) 2.988 12.768 ( 3.159 0.000 -3.322) 4.584 12.871 ( 1.509 0.000 -6.197) 6.378 13.522 ( -5.193 0.000 9.061) 10.443 13.920 ( -5.403 0.000 -0.266) 5.410 13.941 ( -10.080 0.000 -23.647) 25.705 13.970 ( 5.374 0.000 1.668) 5.627 14.033 ( -1.378 0.000 -2.203) 2.598 14.238 ( 0.246 0.000 1.266) 1.290 14.476 ( 1.024 0.000 -0.564) 1.169 14.585 ( 1.783 0.000 1.072) 2.080 14.650 ( -5.883 0.000 -2.326) 6.326 15.121 ( -4.600 0.000 -5.984) 7.548 15.202 ( 1.668 0.000 -1.084) 1.989 15.347 ( -3.559 0.000 -2.565) 4.388 15.595 ( 3.396 0.000 2.044) 3.963 15.669 ( 9.731 0.000 10.907) 14.617 15.859 ( 4.057 0.000 17.346) 17.814 16.343 ( 0.654 0.000 0.505) 0.826 17.596 ( -4.779 0.000 2.967) 5.625 17.634 ( -0.766 0.000 -3.082) 3.176 18.111 ( -4.783 0.000 -0.557) 4.815 18.448 ( 0.041 0.000 0.829) 0.830 18.450 ( -0.162 0.000 -5.484) 5.486 18.668 ( 1.978 0.000 -10.617) 10.799 19.162 ( -24.777 0.000 -24.434) 34.798 19.237 ( 1.162 0.000 -4.803) 4.941 19.292 ( -9.059 0.000 6.337) 11.055 19.298 ( -2.889 0.000 -4.626) 5.454 19.794 ( -10.614 0.000 -11.379) 15.561 19.837 ( -6.219 0.000 3.938) 7.361 20.050 ( 13.660 0.000 14.649) 20.029 20.170 ( -2.510 0.000 -2.834) 3.786 20.262 ( 11.714 0.000 18.250) 21.686 20.357 ( 6.094 0.000 11.500) 13.015 20.394 ( 4.621 0.000 -0.113) 4.622 20.989 ( 12.415 0.000 3.930) 13.022 21.200 ( 6.786 0.000 0.497) 6.804 21.516 ( 12.663 0.000 3.627) 13.172 21.533 ( -2.854 0.000 -1.502) 3.225 21.670 ( 0.263 0.000 1.023) 1.056 21.879 ( 3.038 0.000 5.151) 5.980 22.119 ( 1.510 0.000 -1.643) 2.232 23.266 ( -1.549 0.000 0.313) 1.580 23.270 ( -1.472 0.000 0.256) 1.494 23.275 ( -3.763 0.000 -2.553) 4.548 23.381 ( -1.338 0.000 0.267) 1.365 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -4.780 22.456 20.357) 30.684 0.923 ( 8.160 24.165 22.765) 34.188 1.614 ( 3.624 43.508 34.155) 55.431 2.127 ( 0.322 6.779 -5.661) 8.838 2.188 ( 6.904 -2.310 -13.363) 15.217 2.335 ( -5.751 -9.137 -7.460) 13.123 2.511 ( -0.264 -3.279 3.956) 5.145 2.578 ( 1.101 -9.988 2.849) 10.444 2.776 ( 1.258 -0.008 -4.009) 4.202 2.825 ( 3.643 -4.648 4.055) 7.163 2.920 ( -1.598 -0.995 -0.885) 2.080 3.023 ( -0.967 -3.208 -0.041) 3.351 3.113 ( -0.918 -0.916 1.959) 2.349 3.207 ( -0.613 2.818 -3.478) 4.518 3.230 ( 4.106 -2.912 -3.831) 6.326 3.254 ( -4.892 2.522 -1.152) 5.623 3.392 ( -3.171 -5.155 3.005) 6.757 3.523 ( 0.873 1.357 0.444) 1.673 3.610 ( 1.040 -4.121 8.250) 9.281 3.620 ( -1.358 -8.255 0.849) 8.409 3.668 ( -3.841 6.228 0.668) 7.347 3.705 ( 4.056 1.745 1.592) 4.694 3.748 ( -1.455 1.557 0.300) 2.152 3.859 ( -3.946 9.051 -4.385) 10.804 3.921 ( -2.562 9.464 -1.091) 9.865 3.992 ( -2.323 6.117 -6.822) 9.453 4.011 ( 4.611 -0.433 0.183) 4.635 4.085 ( 2.522 5.686 -3.384) 7.081 4.174 ( 2.397 5.679 -1.015) 6.247 4.201 ( 0.590 4.333 0.921) 4.469 4.330 ( -5.204 1.658 -1.406) 5.640 4.348 ( 3.591 -1.566 -3.593) 5.316 4.385 ( 4.236 0.021 -0.325) 4.249 4.449 ( -1.067 -5.076 -0.644) 5.227 4.466 ( 0.924 -3.673 1.672) 4.140 4.528 ( -5.605 4.397 -0.034) 7.124 4.579 ( -6.500 -0.836 0.862) 6.610 4.630 ( 1.494 1.526 0.538) 2.202 4.653 ( -0.108 0.122 -5.910) 5.913 4.748 ( -4.530 -7.856 5.078) 10.393 4.853 ( 3.491 -0.890 2.499) 4.385 4.923 ( 7.920 -0.734 -5.449) 9.642 4.976 ( -0.683 -10.450 0.531) 10.486 5.082 ( 4.714 -3.439 -3.623) 6.868 5.149 ( -0.689 1.923 -6.020) 6.357 5.178 ( -0.603 -2.611 2.054) 3.377 5.189 ( -0.018 -5.495 3.236) 6.377 5.304 ( 1.487 -5.533 -1.045) 5.824 5.337 ( -0.849 -1.129 3.409) 3.690 5.412 ( -3.348 -0.424 1.220) 3.589 5.508 ( 1.276 -4.836 5.452) 7.399 5.670 ( 3.297 -4.583 1.497) 5.841 5.961 ( 6.371 4.069 -3.678) 8.407 6.003 ( -0.703 -0.951 -0.348) 1.233 6.106 ( 0.316 -3.197 2.456) 4.044 6.187 ( 0.238 -6.666 2.011) 6.966 6.243 ( -4.833 8.777 -4.549) 11.005 6.394 ( -1.107 0.383 -0.240) 1.196 6.463 ( -3.832 3.090 -0.078) 4.924 6.535 ( -3.292 -2.033 -1.854) 4.290 6.697 ( -0.668 -5.103 4.995) 7.173 6.751 ( -0.880 -4.720 -3.032) 5.679 6.791 ( 2.195 -9.857 0.497) 10.111 6.868 ( -3.908 0.508 2.751) 4.806 6.931 ( 3.806 1.007 -3.451) 5.235 6.970 ( 0.466 3.380 2.557) 4.264 7.056 ( 0.733 -0.040 2.095) 2.219 7.167 ( -1.040 3.572 -1.076) 3.873 7.192 ( -0.005 2.944 -0.970) 3.100 7.216 ( 0.706 5.147 -4.683) 6.994 7.343 ( -0.443 2.105 -2.788) 3.521 7.429 ( 3.886 0.744 4.697) 6.142 7.485 ( -1.562 5.615 1.406) 5.996 7.538 ( 3.844 2.073 4.293) 6.124 7.674 ( -7.410 -5.784 -3.855) 10.160 7.719 ( 1.731 0.944 -0.767) 2.115 7.804 ( 1.238 -0.944 6.404) 6.591 7.848 ( -1.112 3.791 3.485) 5.268 7.937 ( 0.461 6.945 2.829) 7.513 8.035 ( -3.047 -4.310 0.169) 5.281 8.210 ( 3.947 -2.802 4.416) 6.552 8.365 ( 3.784 3.794 -0.206) 5.362 8.369 ( -2.902 3.249 -4.020) 5.928 8.456 ( -8.324 -0.743 0.029) 8.357 8.512 ( -1.848 -0.966 -0.446) 2.133 8.592 ( 2.263 4.043 4.203) 6.255 8.682 ( -1.352 -3.495 -1.771) 4.145 8.769 ( -2.044 1.014 2.151) 3.135 8.805 ( -4.584 1.923 -0.400) 4.987 8.961 ( -0.999 0.517 -0.958) 1.478 9.010 ( -6.315 -0.690 -3.212) 7.118 9.046 ( 8.792 -0.987 -4.605) 9.974 9.088 ( 1.435 -0.040 -2.453) 2.842 9.172 ( 2.172 -2.819 2.738) 4.490 9.214 ( 5.194 0.021 -8.007) 9.544 9.360 ( -2.122 2.194 6.127) 6.845 9.451 ( 2.830 1.698 1.859) 3.788 9.477 ( 2.049 1.877 3.740) 4.659 9.505 ( 7.677 0.196 3.451) 8.419 9.612 ( -2.337 0.885 -1.184) 2.765 9.722 ( -17.325 2.827 6.979) 18.891 10.036 ( -4.245 1.654 -3.190) 5.562 10.105 ( -3.354 -2.395 -2.058) 4.606 10.177 ( -0.279 -5.503 -4.166) 6.907 10.274 ( 0.038 -0.322 -6.229) 6.237 10.337 ( 2.446 -7.340 2.964) 8.285 10.433 ( 1.864 -0.876 1.242) 2.405 10.452 ( 0.869 -0.024 3.552) 3.657 10.507 ( 1.769 -0.465 -0.536) 1.906 10.552 ( -1.086 2.605 -3.574) 4.554 10.583 ( 2.694 0.805 -0.066) 2.812 10.625 ( 0.869 -1.698 1.385) 2.357 10.667 ( 2.153 0.712 2.566) 3.424 10.713 ( -0.926 -0.863 -5.949) 6.082 10.858 ( -1.051 -3.199 -7.110) 7.867 10.868 ( -0.354 1.404 -2.737) 3.097 10.936 ( 1.172 -0.583 -0.291) 1.340 10.968 ( 5.343 3.305 -2.436) 6.738 11.110 ( -0.462 2.427 1.786) 3.049 11.162 ( -1.215 -0.779 1.904) 2.390 11.219 ( 0.072 -0.419 0.067) 0.431 11.334 ( 0.776 -0.505 1.833) 2.053 11.383 ( -0.292 -1.857 2.829) 3.397 11.426 ( 2.694 -4.747 1.295) 5.610 11.541 ( 0.511 -0.805 0.682) 1.172 11.619 ( 0.388 -1.073 1.682) 2.032 11.628 ( -3.833 3.669 0.806) 5.367 11.829 ( 0.819 9.856 -6.493) 11.831 12.069 ( 0.168 -3.476 -1.055) 3.637 12.125 ( 0.590 -5.216 -5.771) 7.801 12.176 ( -2.366 -1.975 3.532) 4.687 12.331 ( -1.027 -0.232 3.142) 3.313 12.378 ( -0.857 5.566 0.621) 5.666 12.558 ( -0.309 7.806 -1.325) 7.923 12.788 ( -1.442 0.059 -3.602) 3.880 12.816 ( 2.009 -4.436 -5.566) 7.395 13.455 ( -3.322 3.727 9.228) 10.492 13.827 ( 0.168 -6.781 4.256) 8.008 13.932 ( 0.848 5.506 -8.353) 10.040 14.006 ( 1.872 -0.100 -3.982) 4.401 14.144 ( 3.104 4.088 0.517) 5.159 14.249 ( -0.983 0.253 -0.858) 1.329 14.445 ( 0.690 -4.057 -1.384) 4.342 14.547 ( -0.118 -2.565 -2.062) 3.293 14.763 ( 5.949 6.549 2.736) 9.261 14.983 ( 0.953 -5.258 1.001) 5.437 15.147 ( -5.335 -0.692 3.000) 6.159 15.280 ( -0.490 1.272 -0.913) 1.640 15.664 ( -0.898 2.545 1.982) 3.349 15.732 ( 2.066 2.083 1.289) 3.205 16.027 ( 0.722 -8.954 15.072) 17.546 16.297 ( -0.867 -4.352 -0.476) 4.463 17.640 ( 1.219 4.491 -2.800) 5.431 17.689 ( 1.886 4.581 -2.058) 5.364 17.934 ( -3.698 -4.379 0.419) 5.747 18.008 ( -0.673 -3.700 -1.922) 4.223 18.581 ( -0.748 8.590 1.762) 8.801 18.740 ( -4.699 11.714 -4.830) 13.514 18.848 ( 2.954 1.893 -2.322) 4.208 19.132 ( -7.585 -2.021 6.863) 10.426 19.168 ( 1.381 -7.994 -2.284) 8.428 19.350 ( -0.976 4.461 -3.524) 5.768 19.717 ( 0.618 5.839 -4.658) 7.495 19.852 ( -1.021 8.457 -4.410) 9.592 20.087 ( -2.094 -1.673 0.486) 2.725 20.141 ( 1.522 -0.412 -0.869) 1.800 20.349 ( 2.058 -3.805 -1.481) 4.572 20.356 ( -0.100 -3.960 0.001) 3.961 21.050 ( 6.123 -4.840 7.324) 10.703 21.171 ( -2.953 -1.781 -1.436) 3.735 21.273 ( 7.976 -3.707 1.948) 9.008 21.353 ( 1.552 -10.206 1.479) 10.428 21.679 ( -3.897 5.406 -1.455) 6.821 21.778 ( 0.558 3.861 -3.443) 5.203 21.946 ( 0.045 1.186 6.963) 7.063 22.273 ( 4.811 0.757 -7.479) 8.924 23.184 ( -0.817 0.570 1.302) 1.640 23.251 ( 0.966 -0.835 1.105) 1.689 23.258 ( -0.563 0.998 -0.692) 1.339 23.346 ( -0.891 -1.044 -1.156) 1.794 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 17.817 16.233 16.798) 29.379 1.377 ( 19.803 19.507 20.674) 34.642 2.075 ( 2.437 2.538 -16.016) 16.398 2.148 ( 15.716 11.278 14.123) 23.951 2.244 ( 15.996 16.960 1.219) 23.346 2.331 ( 9.956 -5.088 -4.075) 11.901 2.546 ( 1.696 -2.546 3.572) 4.703 2.695 ( 1.345 -2.341 4.256) 5.040 2.806 ( -1.280 -0.479 -2.484) 2.835 2.843 ( 4.707 -15.977 3.340) 16.987 2.904 ( -0.238 -1.326 0.276) 1.375 3.004 ( -0.271 -1.544 -2.047) 2.578 3.079 ( -4.584 -3.024 -6.804) 8.743 3.156 ( -2.345 2.027 4.183) 5.206 3.216 ( 2.213 -1.009 0.727) 2.538 3.239 ( -5.808 3.316 -1.735) 6.909 3.339 ( 0.713 -5.129 -1.680) 5.444 3.539 ( -3.465 -0.844 -1.609) 3.913 3.547 ( -3.636 6.822 -0.659) 7.758 3.610 ( 6.148 -2.066 2.294) 6.879 3.675 ( -3.161 -2.788 -0.180) 4.219 3.729 ( 0.979 -3.064 2.351) 3.985 3.779 ( 2.981 3.103 1.314) 4.499 3.859 ( 0.750 0.751 -0.704) 1.273 3.923 ( 5.128 8.344 0.348) 9.800 3.943 ( 3.098 7.405 1.362) 8.142 4.044 ( -3.046 5.634 -1.730) 6.634 4.102 ( -2.119 7.355 -5.978) 9.712 4.133 ( -7.812 -0.576 -5.256) 9.433 4.216 ( -4.237 2.745 0.733) 5.101 4.282 ( 4.244 2.501 0.078) 4.927 4.357 ( 4.848 -2.158 -0.278) 5.314 4.374 ( 0.957 2.584 0.384) 2.782 4.423 ( 0.521 -3.728 -2.619) 4.586 4.449 ( 0.091 4.318 1.407) 4.543 4.534 ( 3.828 -3.880 -1.695) 5.708 4.600 ( 3.813 2.430 3.672) 5.825 4.662 ( 6.423 4.554 -5.063) 9.361 4.689 ( 4.920 -0.033 -0.640) 4.961 4.722 ( -0.869 -3.961 3.185) 5.157 4.888 ( 0.317 -2.868 -0.431) 2.917 4.978 ( 0.680 -0.387 -0.830) 1.140 5.033 ( 5.658 0.583 -2.067) 6.051 5.096 ( -1.908 -1.760 -1.071) 2.808 5.143 ( -2.344 -0.908 0.303) 2.532 5.193 ( 3.705 -7.539 -5.538) 10.062 5.212 ( 0.788 0.281 -0.076) 0.840 5.385 ( 10.668 -5.465 -1.801) 12.121 5.407 ( 4.535 -2.274 2.636) 5.717 5.475 ( 4.678 -11.388 3.943) 12.928 5.615 ( 4.136 -2.260 7.655) 8.990 5.800 ( 8.228 -3.082 0.074) 8.786 5.959 ( -4.390 3.848 -7.922) 9.840 5.981 ( -0.965 -3.119 -0.694) 3.338 6.088 ( -3.775 7.600 -3.815) 9.304 6.148 ( 1.278 -0.782 0.383) 1.547 6.189 ( -1.405 -10.201 4.468) 11.225 6.296 ( -4.668 -1.381 -2.092) 5.299 6.426 ( -5.846 -4.214 0.724) 7.243 6.435 ( 0.388 2.231 -0.448) 2.308 6.639 ( -8.100 -5.125 1.176) 9.658 6.689 ( -5.736 1.405 -5.136) 7.826 6.730 ( -3.020 -5.309 0.109) 6.109 6.815 ( -4.137 -1.785 2.666) 5.236 6.922 ( -2.046 1.635 -2.920) 3.922 7.005 ( -4.617 1.744 0.738) 4.991 7.081 ( 2.483 5.639 7.787) 9.930 7.121 ( -1.559 2.869 -3.965) 5.136 7.160 ( -3.486 0.345 1.344) 3.752 7.201 ( -0.570 5.810 3.281) 6.696 7.329 ( -0.302 1.727 -1.273) 2.167 7.414 ( -7.784 3.347 -3.788) 9.282 7.447 ( -0.861 3.849 2.146) 4.490 7.549 ( -1.377 -4.365 1.655) 4.867 7.622 ( 1.235 1.247 5.261) 5.546 7.699 ( -3.827 -1.441 0.304) 4.101 7.756 ( -4.991 4.849 -3.202) 7.660 7.904 ( -6.875 2.865 3.811) 8.367 7.928 ( -0.335 2.329 3.279) 4.036 8.028 ( 4.013 -1.000 7.167) 8.275 8.124 ( -7.645 -6.421 -6.276) 11.793 8.283 ( -9.039 -0.412 4.911) 10.296 8.336 ( -1.893 2.581 2.284) 3.932 8.388 ( -4.209 3.662 -2.820) 6.252 8.531 ( -0.127 0.640 7.260) 7.290 8.549 ( -11.205 4.983 -3.154) 12.662 8.649 ( -0.770 -2.585 0.527) 2.748 8.729 ( 4.236 4.263 7.114) 9.312 8.775 ( -1.636 -1.330 -7.175) 7.478 8.884 ( 1.730 3.301 -0.507) 3.761 8.962 ( 0.691 -0.200 -4.827) 4.881 9.061 ( -2.248 -1.477 -3.659) 4.541 9.113 ( 2.207 -3.219 -1.486) 4.176 9.223 ( 2.001 2.219 -1.312) 3.263 9.250 ( 2.337 -2.316 2.087) 3.896 9.375 ( -1.228 -1.274 4.543) 4.875 9.460 ( 5.631 2.647 0.438) 6.238 9.575 ( 1.207 3.837 5.063) 6.466 9.587 ( 1.571 4.064 1.206) 4.521 9.626 ( 2.322 1.811 7.588) 8.139 9.824 ( 12.854 -1.688 -7.119) 14.791 9.918 ( -4.302 -1.429 -5.561) 7.175 10.059 ( -0.232 1.881 5.151) 5.489 10.170 ( 1.769 -2.943 -3.880) 5.182 10.270 ( 1.773 2.037 -5.622) 6.237 10.348 ( -2.153 -2.256 3.749) 4.877 10.403 ( -0.985 -1.095 -3.308) 3.621 10.491 ( -2.059 1.779 -1.285) 3.010 10.516 ( 3.168 0.309 -0.515) 3.224 10.541 ( 1.636 -1.926 0.607) 2.599 10.589 ( -0.933 -0.733 -5.068) 5.205 10.660 ( 1.499 -1.028 -0.576) 1.906 10.705 ( 2.193 -0.700 -2.825) 3.644 10.800 ( 3.142 -3.233 -0.962) 4.609 10.845 ( 3.571 -0.315 -5.865) 6.874 10.857 ( 1.825 -4.259 -2.263) 5.157 10.954 ( -0.128 0.384 1.165) 1.233 11.056 ( 4.475 0.981 -6.062) 7.598 11.141 ( -1.923 0.450 2.935) 3.538 11.164 ( 3.116 3.702 1.894) 5.197 11.263 ( 1.940 -4.997 4.138) 6.772 11.330 ( -3.011 -4.951 2.866) 6.465 11.424 ( 2.346 -0.551 3.680) 4.399 11.433 ( -3.212 -2.171 -2.227) 4.471 11.529 ( 1.529 0.198 -4.851) 5.090 11.611 ( 3.422 -3.088 0.766) 4.672 11.700 ( 4.883 0.905 5.415) 7.348 11.844 ( 2.886 3.661 -3.799) 6.014 12.026 ( -1.838 -1.437 -3.231) 3.985 12.097 ( -0.190 -3.335 -4.192) 5.360 12.193 ( -0.188 -1.182 4.105) 4.276 12.306 ( -3.103 1.650 2.879) 4.543 12.390 ( 1.415 6.540 1.140) 6.788 12.529 ( -1.018 4.556 -2.796) 5.441 12.719 ( -3.044 0.434 -3.658) 4.779 12.809 ( 0.549 -3.720 -5.866) 6.968 13.471 ( -0.549 3.505 7.394) 8.201 13.835 ( -1.521 -6.183 2.252) 6.754 13.933 ( 0.270 -0.317 -0.816) 0.916 14.030 ( 4.258 -1.087 -6.187) 7.589 14.186 ( 0.628 1.398 1.484) 2.134 14.237 ( -0.795 -3.565 -0.745) 3.727 14.408 ( -1.188 -3.510 0.303) 3.718 14.579 ( 2.429 -7.152 -3.355) 8.265 14.872 ( 5.157 7.429 -0.136) 9.045 15.012 ( -1.447 1.752 -5.412) 5.870 15.088 ( 0.645 2.985 5.557) 6.341 15.337 ( 5.353 -2.148 2.787) 6.406 15.637 ( -2.783 4.098 1.354) 5.136 15.756 ( 0.785 4.713 -1.338) 4.961 16.041 ( -6.225 -7.061 13.464) 16.429 16.269 ( -1.608 -3.493 -1.463) 4.114 17.622 ( 0.774 6.514 -2.769) 7.120 17.758 ( 5.285 2.883 0.415) 6.035 17.997 ( 4.831 -5.129 -0.676) 7.078 18.059 ( 7.419 -5.236 -3.490) 9.728 18.582 ( -0.459 9.777 2.225) 10.038 18.680 ( 1.209 14.997 -4.316) 15.653 18.907 ( 2.299 2.617 -0.161) 3.487 19.096 ( 2.431 -3.416 1.920) 4.611 19.168 ( 1.716 1.259 -5.643) 6.031 19.403 ( 4.924 -7.181 5.502) 10.300 19.742 ( 4.019 4.154 -2.783) 6.415 19.876 ( 4.376 9.024 0.381) 10.037 20.084 ( 1.545 -4.117 -0.136) 4.400 20.189 ( 2.659 -0.811 -0.404) 2.809 20.308 ( -4.053 -3.706 -1.592) 5.718 20.350 ( -0.433 -1.924 -0.665) 2.081 20.905 ( -14.359 -1.424 -0.599) 14.442 21.079 ( -8.215 -9.635 4.335) 13.383 21.293 ( -6.301 -2.327 -0.148) 6.719 21.343 ( -6.152 -5.640 0.435) 8.357 21.598 ( -1.916 2.934 0.388) 3.525 21.726 ( -3.471 0.901 -2.750) 4.519 21.944 ( -4.600 3.186 6.168) 8.328 22.206 ( -5.163 1.601 -3.061) 6.212 23.244 ( 4.217 0.503 0.743) 4.312 23.252 ( 1.009 0.786 -0.983) 1.613 23.316 ( 4.322 -0.869 1.489) 4.653 23.329 ( 0.289 -0.929 -1.663) 1.926 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 23.222 10.512 12.553) 28.414 1.908 ( 22.140 13.531 16.114) 30.544 2.095 ( 10.617 3.881 -11.367) 16.031 2.270 ( 8.389 4.789 -7.526) 12.246 2.454 ( 4.372 -4.349 -9.555) 11.372 2.573 ( 4.389 -2.440 -0.810) 5.086 2.657 ( -3.038 -1.966 -2.222) 4.246 2.716 ( -0.990 -4.310 6.563) 7.914 2.796 ( 2.248 0.660 -2.141) 3.174 2.826 ( 1.599 0.414 2.429) 2.937 2.933 ( -5.233 3.346 -3.757) 7.259 3.004 ( -4.760 -0.771 -0.454) 4.843 3.069 ( 7.283 -15.545 5.276) 17.959 3.082 ( -3.045 -2.420 5.505) 6.740 3.144 ( -3.740 0.854 4.513) 5.923 3.267 ( 0.742 -2.314 3.821) 4.528 3.338 ( -5.186 -6.529 -3.698) 9.121 3.465 ( -0.326 1.820 -7.451) 7.677 3.534 ( -1.539 0.078 -1.444) 2.111 3.607 ( -7.086 0.194 -2.340) 7.465 3.678 ( 0.834 2.285 2.997) 3.860 3.732 ( 5.573 -0.693 4.423) 7.148 3.833 ( -0.233 9.611 -0.882) 9.654 3.898 ( 6.678 5.677 1.697) 8.928 3.939 ( 5.741 8.168 -1.674) 10.123 3.994 ( 6.581 4.178 4.276) 8.891 4.067 ( 2.816 1.539 -2.875) 4.308 4.115 ( 4.952 3.102 0.189) 5.847 4.136 ( -3.383 2.081 0.853) 4.062 4.226 ( 4.093 7.289 1.585) 8.509 4.269 ( 5.641 0.177 2.017) 5.993 4.395 ( 1.209 2.059 0.160) 2.393 4.442 ( 2.692 4.496 0.968) 5.329 4.503 ( 3.704 -4.551 -0.127) 5.869 4.560 ( 2.082 -1.326 1.104) 2.704 4.589 ( 6.248 -1.548 4.898) 8.089 4.627 ( 1.014 0.486 -0.026) 1.124 4.744 ( 1.786 -0.025 -1.404) 2.272 4.806 ( 8.361 2.874 -3.013) 9.340 4.828 ( 8.711 4.040 -4.254) 10.502 4.945 ( 0.007 3.185 -3.597) 4.804 4.956 ( 5.652 -2.689 1.808) 6.515 5.066 ( -1.389 -0.248 -3.730) 3.988 5.075 ( -0.601 -3.430 0.920) 3.602 5.162 ( 6.247 4.571 0.373) 7.750 5.200 ( 0.798 -1.078 0.739) 1.531 5.261 ( 1.960 -1.370 -4.307) 4.927 5.471 ( 0.494 -6.059 -0.436) 6.094 5.505 ( 3.163 0.278 2.523) 4.055 5.628 ( 3.436 -4.294 -1.856) 5.804 5.690 ( 3.559 -4.920 -0.333) 6.081 5.835 ( -5.797 -0.271 4.308) 7.227 5.899 ( 0.983 -4.085 -4.099) 5.870 5.963 ( -1.859 -7.314 -1.915) 7.785 6.024 ( 0.795 1.456 -5.729) 5.965 6.090 ( -0.816 2.068 -6.049) 6.445 6.238 ( -5.736 1.836 -2.544) 6.538 6.260 ( -2.674 3.313 4.302) 6.053 6.310 ( -10.009 4.681 -3.096) 11.475 6.376 ( 3.943 -5.114 -0.784) 6.505 6.520 ( 7.264 -8.572 -0.871) 11.269 6.567 ( -4.551 -4.615 3.816) 7.522 6.728 ( -1.380 -3.161 3.988) 5.273 6.776 ( -0.800 -1.400 2.863) 3.286 6.847 ( -3.228 -4.566 -3.594) 6.647 6.931 ( -1.566 5.687 2.881) 6.564 7.067 ( -4.566 4.805 4.053) 7.770 7.103 ( -6.003 1.004 4.687) 7.682 7.114 ( -2.627 -2.332 -3.414) 4.898 7.201 ( -1.466 5.208 4.997) 7.365 7.244 ( -0.311 2.322 -0.776) 2.468 7.336 ( -4.159 -2.421 4.059) 6.296 7.458 ( -4.528 -4.563 1.918) 6.709 7.467 ( -3.590 -0.052 -3.843) 5.260 7.524 ( -5.857 10.655 -4.479) 12.957 7.649 ( -2.448 -0.617 5.654) 6.192 7.685 ( -3.184 1.812 0.949) 3.784 7.809 ( -7.219 3.084 2.391) 8.206 7.873 ( -6.801 -5.135 -0.578) 8.541 7.943 ( -4.298 3.189 -1.969) 5.703 8.090 ( -11.815 0.949 4.049) 12.526 8.117 ( -1.183 -4.347 3.159) 5.502 8.219 ( -10.278 2.087 0.049) 10.488 8.336 ( -0.976 -1.253 2.596) 3.043 8.390 ( -1.812 6.665 -6.654) 9.590 8.458 ( -4.425 3.289 2.831) 6.197 8.553 ( -6.676 -2.703 -1.871) 7.442 8.753 ( -2.409 -2.835 -1.583) 4.043 8.848 ( -3.237 2.399 -2.844) 4.932 8.905 ( 3.180 2.633 7.396) 8.470 8.932 ( 1.377 -0.463 -4.633) 4.856 9.112 ( 9.342 -2.304 -1.664) 9.765 9.183 ( 4.080 -2.045 1.125) 4.700 9.268 ( 0.854 -5.398 1.234) 5.603 9.320 ( 4.945 5.925 -0.863) 7.766 9.413 ( 3.679 0.105 1.609) 4.017 9.532 ( -0.572 4.883 0.139) 4.919 9.555 ( 2.512 3.001 -1.957) 4.375 9.669 ( 1.195 0.614 -0.096) 1.347 9.729 ( 1.952 1.498 3.673) 4.421 9.810 ( 0.270 1.052 1.732) 2.044 9.993 ( 4.197 -9.404 -6.656) 12.261 10.106 ( 1.782 2.120 5.858) 6.479 10.225 ( 0.548 3.921 -2.968) 4.948 10.277 ( -1.710 1.056 -2.681) 3.351 10.288 ( 4.785 2.790 -2.956) 6.278 10.416 ( 1.953 -4.059 3.059) 5.445 10.452 ( -1.100 0.042 -0.152) 1.112 10.541 ( 0.420 -1.841 -3.112) 3.640 10.563 ( 1.198 1.179 1.681) 2.377 10.618 ( 6.153 1.448 -1.633) 6.528 10.706 ( 2.961 -1.201 0.312) 3.211 10.731 ( -0.344 -0.379 -4.258) 4.289 10.784 ( 3.388 -0.102 -4.083) 5.307 10.844 ( -0.488 -3.626 -3.886) 5.337 10.907 ( -0.573 -1.915 1.501) 2.500 10.950 ( 0.529 2.348 0.765) 2.526 11.084 ( -0.582 -1.523 -0.757) 1.798 11.127 ( 0.877 0.120 0.869) 1.241 11.225 ( -0.630 0.556 -0.304) 0.893 11.254 ( -5.595 0.002 6.753) 8.770 11.267 ( -3.311 -1.744 -1.825) 4.164 11.329 ( -1.971 -0.697 1.070) 2.348 11.511 ( 2.520 -6.144 0.338) 6.649 11.557 ( 4.174 -2.957 -6.928) 8.612 11.704 ( 4.160 -4.641 1.018) 6.315 11.831 ( 3.947 -0.147 4.572) 6.042 11.884 ( 3.506 -1.778 -1.317) 4.146 12.001 ( 0.859 4.719 -2.375) 5.352 12.078 ( 0.919 -1.264 -2.246) 2.736 12.175 ( -4.075 2.896 2.564) 5.619 12.269 ( -1.918 4.253 3.737) 5.977 12.421 ( 0.279 3.015 0.589) 3.084 12.501 ( -0.342 1.905 -1.874) 2.694 12.661 ( -0.514 3.204 0.922) 3.373 12.762 ( -1.279 -3.288 -5.716) 6.717 13.513 ( 0.187 3.506 5.575) 6.588 13.804 ( -2.099 -5.714 0.626) 6.119 13.918 ( -1.157 -1.494 1.344) 2.319 14.079 ( 3.081 -1.984 -3.247) 4.896 14.195 ( -1.703 -1.373 -1.857) 2.869 14.198 ( -0.468 -1.234 1.344) 1.884 14.438 ( 2.765 -7.544 1.336) 8.145 14.565 ( -1.022 -9.932 -4.979) 11.157 14.937 ( -0.823 3.686 -4.926) 6.207 14.977 ( 4.570 6.163 -0.001) 7.673 15.146 ( 1.975 5.963 1.685) 6.504 15.455 ( 2.951 -1.763 1.803) 3.882 15.602 ( -0.759 2.896 1.628) 3.408 15.744 ( -0.563 5.228 -3.812) 6.495 16.012 ( -4.294 -2.970 11.243) 12.396 16.225 ( -1.294 -1.881 -2.150) 3.136 17.655 ( 3.714 5.851 -2.320) 7.308 17.867 ( 5.068 1.902 -0.494) 5.436 18.089 ( 4.567 -5.909 0.299) 7.474 18.155 ( 3.193 -5.864 -0.757) 6.720 18.590 ( -0.179 10.060 2.025) 10.263 18.699 ( 3.247 15.134 -6.118) 16.644 18.953 ( 1.729 0.740 5.077) 5.414 19.191 ( 4.354 0.141 -0.397) 4.374 19.236 ( 9.175 -1.830 -2.955) 9.811 19.563 ( 7.115 -10.522 5.010) 13.654 19.826 ( 5.276 2.803 -0.879) 6.039 19.995 ( 5.321 3.625 3.252) 7.213 20.106 ( -2.254 -4.774 0.153) 5.282 20.148 ( -5.065 -5.213 -4.454) 8.524 20.249 ( 2.812 1.981 -2.642) 4.337 20.365 ( 1.082 3.237 -0.467) 3.445 20.657 ( -6.950 -1.057 -0.899) 7.087 20.897 ( -12.649 -7.430 0.555) 14.680 21.099 ( -11.257 -2.007 -0.793) 11.461 21.151 ( -11.244 -1.383 -1.339) 11.408 21.553 ( -4.114 1.168 0.746) 4.341 21.660 ( -3.279 -2.144 4.203) 5.746 21.872 ( -4.757 5.951 3.395) 8.340 22.087 ( -5.004 -0.603 -3.002) 5.866 23.275 ( 1.935 0.462 -0.093) 1.992 23.317 ( 1.694 -0.586 -0.542) 1.873 23.339 ( 2.271 0.543 -0.422) 2.373 23.416 ( 4.205 -1.177 0.633) 4.412 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 14.855 5.683 11.697) 19.743 2.300 ( 14.016 5.392 -0.726) 15.035 2.316 ( -3.324 -0.271 -3.837) 5.084 2.409 ( 3.416 -3.256 -2.422) 5.304 2.457 ( 17.058 4.162 9.633) 20.027 2.561 ( -0.068 -2.254 -4.950) 5.440 2.608 ( -4.969 -0.480 -4.777) 6.910 2.716 ( -9.189 0.368 1.282) 9.286 2.797 ( 6.766 -6.852 1.906) 9.817 2.826 ( 2.363 -0.590 0.068) 2.437 2.886 ( -4.527 -1.190 -1.899) 5.051 2.931 ( 1.928 0.634 4.393) 4.839 2.996 ( -9.522 -2.982 2.399) 10.262 3.015 ( -5.894 2.674 -3.202) 7.221 3.084 ( -2.121 3.012 -0.006) 3.684 3.144 ( -6.672 -5.768 0.523) 8.835 3.304 ( -0.739 -2.545 3.432) 4.336 3.432 ( 3.748 -2.110 1.827) 4.672 3.534 ( 0.008 2.269 1.474) 2.706 3.610 ( 3.448 -6.999 -4.510) 9.012 3.653 ( -0.198 1.758 -0.320) 1.798 3.830 ( 0.682 2.897 2.210) 3.707 3.936 ( 0.449 -1.634 -1.562) 2.305 3.975 ( 0.617 3.519 -4.934) 6.092 3.995 ( 1.453 3.750 -4.646) 6.145 4.052 ( -0.571 3.333 -2.721) 4.340 4.141 ( 2.791 4.494 -2.231) 5.741 4.169 ( 1.698 1.494 5.231) 5.699 4.204 ( 5.695 4.071 2.936) 7.591 4.319 ( 7.574 6.127 6.091) 11.489 4.332 ( -3.499 2.097 -2.112) 4.593 4.478 ( 0.855 -2.725 5.617) 6.301 4.501 ( 1.928 8.865 -3.524) 9.733 4.537 ( -1.205 -0.291 0.616) 1.384 4.615 ( 0.445 2.347 -2.750) 3.643 4.647 ( 2.470 0.403 4.804) 5.417 4.735 ( -0.413 -1.355 -2.913) 3.240 4.776 ( 3.275 -0.340 5.202) 6.157 4.863 ( 0.551 7.202 2.110) 7.525 4.929 ( 1.756 -2.495 -2.019) 3.659 4.975 ( 4.399 -4.268 3.521) 7.069 5.052 ( -0.894 -0.220 2.544) 2.705 5.110 ( 4.588 2.743 -2.699) 5.988 5.138 ( 8.540 -3.274 -1.126) 9.215 5.191 ( -3.194 0.133 -4.971) 5.910 5.239 ( 7.565 5.349 -0.945) 9.313 5.297 ( 6.814 3.218 -1.657) 7.716 5.455 ( -7.835 2.950 -0.703) 8.401 5.520 ( -1.740 -0.907 0.107) 1.965 5.572 ( 0.828 7.282 0.025) 7.329 5.741 ( 1.347 0.771 1.384) 2.079 5.767 ( 2.720 -1.164 -5.935) 6.631 5.833 ( -8.297 -3.390 2.775) 9.383 5.835 ( -5.995 -1.640 1.741) 6.455 5.997 ( 2.414 -2.257 -9.044) 9.629 6.049 ( 0.859 4.696 -2.945) 5.609 6.119 ( -1.653 0.963 -0.080) 1.915 6.264 ( 0.440 -1.301 -2.347) 2.720 6.301 ( 5.458 -5.081 -5.890) 9.503 6.419 ( -0.233 -5.880 0.592) 5.914 6.607 ( -3.624 0.257 1.124) 3.803 6.616 ( 2.355 -9.438 6.726) 11.826 6.721 ( 1.371 -7.448 4.606) 8.864 6.766 ( -2.302 -1.960 2.144) 3.707 6.846 ( 5.720 -1.810 -4.332) 7.400 6.931 ( -2.432 2.016 -1.013) 3.317 6.973 ( -3.436 2.122 1.895) 4.461 7.041 ( -2.017 -3.265 3.282) 5.050 7.101 ( 0.029 -2.761 -0.560) 2.818 7.191 ( -0.177 -3.005 -3.136) 4.346 7.210 ( -2.994 3.310 6.067) 7.532 7.297 ( -2.911 -0.967 4.362) 5.333 7.346 ( -4.203 0.670 -0.104) 4.257 7.376 ( -0.479 3.669 -0.168) 3.704 7.460 ( -4.100 -1.304 -1.248) 4.480 7.610 ( -6.940 1.883 1.554) 7.357 7.620 ( -3.008 -0.948 1.740) 3.602 7.682 ( 1.163 3.901 3.532) 5.389 7.777 ( -8.017 -1.172 4.073) 9.068 7.892 ( 0.644 7.846 1.480) 8.010 7.931 ( -1.762 1.303 -2.036) 2.991 8.030 ( -6.320 3.923 0.473) 7.454 8.123 ( -1.316 -6.979 1.905) 7.353 8.257 ( -5.407 -3.486 -0.717) 6.473 8.358 ( 1.819 3.546 -5.019) 6.408 8.453 ( -1.280 1.860 0.881) 2.424 8.489 ( 2.910 4.495 0.288) 5.362 8.670 ( -3.437 -2.640 -2.088) 4.811 8.782 ( -0.707 0.166 -3.012) 3.098 8.863 ( -2.010 2.192 -1.121) 3.179 9.039 ( 3.018 -0.123 2.452) 3.891 9.189 ( -3.077 -1.114 0.544) 3.317 9.216 ( 0.523 -5.296 0.333) 5.332 9.340 ( 4.535 2.095 -0.984) 5.091 9.387 ( 1.261 0.073 1.650) 2.078 9.482 ( 1.935 1.466 -0.603) 2.501 9.530 ( -1.509 2.476 -0.816) 3.012 9.613 ( 4.846 0.768 -2.380) 5.453 9.703 ( 3.552 0.007 1.132) 3.729 9.737 ( 0.007 1.688 -0.614) 1.796 9.868 ( 1.496 0.387 5.018) 5.251 9.991 ( -0.497 -3.747 -3.860) 5.403 10.089 ( -5.088 2.610 -1.976) 6.050 10.181 ( -0.630 4.065 -3.368) 5.316 10.259 ( 2.835 -1.989 0.208) 3.469 10.394 ( 0.754 0.539 -1.388) 1.669 10.406 ( -0.629 -3.326 2.413) 4.157 10.503 ( 2.541 -0.027 0.158) 2.546 10.594 ( 2.197 0.324 3.503) 4.148 10.619 ( 5.280 -1.966 -1.357) 5.795 10.706 ( 2.689 1.070 -3.630) 4.642 10.739 ( 5.494 1.048 1.333) 5.749 10.748 ( 1.645 -0.742 -1.651) 2.446 10.801 ( -1.403 -0.067 -1.582) 2.116 10.851 ( 2.673 -0.798 0.706) 2.878 10.878 ( -1.883 -0.471 0.674) 2.055 10.958 ( 0.077 1.255 -0.381) 1.314 11.031 ( -3.897 2.509 -0.001) 4.635 11.103 ( -4.737 -3.803 3.038) 6.792 11.166 ( -1.442 -0.206 1.348) 1.985 11.201 ( -1.302 0.262 -0.642) 1.475 11.246 ( -0.628 1.579 1.825) 2.493 11.336 ( 0.007 -0.761 1.577) 1.750 11.493 ( -0.397 -8.048 -8.227) 11.515 11.622 ( 3.281 -5.207 2.181) 6.529 11.776 ( 2.969 -5.294 0.787) 6.121 11.872 ( 0.433 -0.321 -1.408) 1.507 11.970 ( -4.937 1.506 1.848) 5.482 11.972 ( 4.077 2.662 -0.406) 4.886 12.068 ( -0.349 3.369 -4.048) 5.278 12.145 ( 0.524 2.736 0.960) 2.947 12.286 ( 1.517 3.088 1.792) 3.879 12.402 ( -3.379 -3.177 4.997) 6.817 12.493 ( 2.290 5.494 -3.114) 6.718 12.662 ( -2.664 5.490 -0.769) 6.150 12.762 ( 4.147 -1.035 2.625) 5.016 13.536 ( -0.983 2.177 4.283) 4.904 13.785 ( -0.223 -6.449 1.707) 6.675 13.921 ( -0.096 -1.051 2.934) 3.118 14.110 ( 1.713 0.803 -0.400) 1.934 14.131 ( -2.886 -5.336 -4.410) 7.500 14.200 ( -0.338 -1.016 0.421) 1.150 14.498 ( -1.704 -8.694 -3.009) 9.357 14.506 ( 3.055 -8.035 -2.055) 8.839 14.920 ( 1.645 2.904 -1.454) 3.640 15.054 ( 2.994 4.869 -1.290) 5.860 15.180 ( 0.258 3.865 2.405) 4.559 15.471 ( -0.123 1.938 -1.173) 2.269 15.601 ( -1.304 -0.105 -0.711) 1.489 15.683 ( -2.174 5.711 -6.570) 8.973 16.008 ( -3.300 0.023 9.490) 10.047 16.208 ( 1.009 -1.822 -1.553) 2.598 17.717 ( 3.341 5.287 -1.317) 6.391 17.910 ( 0.264 0.539 -4.236) 4.278 18.168 ( 2.090 -4.651 2.526) 5.691 18.198 ( 1.579 -4.098 2.787) 5.202 18.595 ( -0.530 9.571 1.274) 9.670 18.720 ( 2.739 12.424 -5.527) 13.871 19.042 ( 2.715 0.184 8.878) 9.285 19.290 ( 3.873 -1.191 1.849) 4.453 19.382 ( 5.846 -3.874 -1.300) 7.133 19.692 ( 1.581 -10.381 1.103) 10.559 19.907 ( 1.702 3.521 0.949) 4.024 19.979 ( -2.649 -3.388 -2.024) 4.753 20.048 ( 0.296 -2.957 -1.626) 3.387 20.110 ( 0.616 -2.692 0.646) 2.836 20.329 ( -0.493 4.560 -1.836) 4.941 20.382 ( 5.005 4.048 0.629) 6.468 20.619 ( -6.256 -0.900 -4.165) 7.569 20.686 ( 4.542 -1.669 -2.058) 5.258 20.880 ( -10.029 -2.145 -3.668) 10.892 20.909 ( -11.757 -3.499 -1.565) 12.366 21.500 ( -1.388 1.778 2.504) 3.370 21.633 ( -2.891 -2.131 7.709) 8.504 21.811 ( -2.644 4.652 -1.149) 5.472 21.995 ( -1.465 -1.502 -3.006) 3.666 23.315 ( 1.193 0.066 0.784) 1.429 23.332 ( 1.053 -0.544 0.193) 1.201 23.377 ( 1.004 1.062 -0.216) 1.477 23.469 ( 1.025 -1.276 -0.667) 1.767 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -23.044 5.724 4.154) 24.105 2.118 ( -27.556 6.082 -2.048) 28.294 2.379 ( -2.500 -6.122 1.116) 6.706 2.468 ( -4.279 -2.323 0.131) 4.871 2.521 ( 3.967 2.241 3.751) 5.902 2.614 ( -1.119 1.781 -2.428) 3.212 2.645 ( 8.460 3.567 4.138) 10.070 2.726 ( -6.649 0.080 -3.479) 7.505 2.750 ( -4.468 -4.065 -1.636) 6.259 2.888 ( 13.136 -0.684 2.269) 13.348 2.901 ( 1.254 4.595 2.017) 5.172 2.953 ( 1.467 -0.641 -0.973) 1.873 3.013 ( 4.570 -9.736 -1.213) 10.823 3.031 ( 4.535 -2.851 5.407) 7.611 3.154 ( 2.204 1.905 4.694) 5.525 3.242 ( 11.038 -2.593 -1.117) 11.394 3.276 ( 7.267 5.258 1.113) 9.038 3.516 ( 1.977 1.746 5.871) 6.436 3.547 ( 1.243 -4.094 2.012) 4.728 3.624 ( -0.740 -2.730 -3.778) 4.719 3.708 ( 2.381 -7.280 -0.260) 7.664 3.777 ( -9.293 1.964 -4.268) 10.413 3.822 ( -1.800 0.107 1.275) 2.208 3.859 ( -9.805 -1.267 -4.681) 10.939 3.962 ( -4.960 2.606 -4.987) 7.501 4.029 ( -5.514 5.143 1.476) 7.683 4.089 ( 0.741 0.836 -2.485) 2.724 4.188 ( -2.065 6.501 2.661) 7.322 4.273 ( -6.138 7.025 1.541) 9.455 4.302 ( 1.313 1.206 -1.460) 2.304 4.347 ( -4.192 3.047 4.441) 6.825 4.409 ( -4.262 3.736 1.360) 5.829 4.474 ( -5.293 5.024 -1.172) 7.391 4.498 ( -1.229 5.226 -4.620) 7.083 4.551 ( -0.157 6.537 -0.568) 6.563 4.668 ( -1.765 1.588 0.856) 2.524 4.727 ( -3.604 -1.364 3.001) 4.884 4.760 ( -3.862 5.032 4.618) 7.846 4.882 ( -2.884 -3.595 0.356) 4.623 4.896 ( -2.041 -3.592 -2.932) 5.066 4.937 ( -0.717 -4.786 -1.661) 5.116 5.014 ( -2.063 0.694 -2.114) 3.034 5.096 ( 0.952 -1.731 -2.403) 3.111 5.228 ( 3.409 -1.563 -1.511) 4.043 5.258 ( 1.451 -0.698 3.464) 3.820 5.347 ( -2.249 -1.186 -6.527) 7.005 5.368 ( -3.132 -6.639 3.987) 8.353 5.465 ( 0.633 5.460 -1.404) 5.673 5.531 ( 2.765 6.702 -0.100) 7.251 5.616 ( -4.310 5.265 -0.680) 6.838 5.634 ( 1.207 -0.096 4.339) 4.504 5.769 ( 2.578 -0.411 -1.921) 3.241 5.823 ( -3.211 4.734 -0.571) 5.749 5.915 ( 11.520 4.816 3.885) 13.077 5.982 ( 5.292 1.424 2.024) 5.842 6.067 ( -3.508 -0.520 -5.062) 6.181 6.165 ( 4.485 -0.499 2.631) 5.224 6.280 ( 7.650 -4.946 0.651) 9.133 6.307 ( -4.634 -8.565 -5.223) 11.050 6.406 ( 5.227 -4.650 -2.210) 7.336 6.517 ( -6.806 -1.020 0.690) 6.916 6.667 ( 3.798 -3.741 1.366) 5.503 6.723 ( -0.576 -3.033 -2.174) 3.776 6.830 ( 2.020 -0.995 2.572) 3.419 6.877 ( 0.481 1.636 -4.575) 4.883 6.907 ( 2.124 -1.097 -2.433) 3.411 6.939 ( -2.653 -0.802 -5.496) 6.156 6.972 ( -2.427 -3.515 4.191) 5.985 7.065 ( 1.362 -2.475 -1.090) 3.028 7.176 ( -2.991 3.405 10.514) 11.449 7.267 ( 2.428 -1.519 1.957) 3.468 7.319 ( 2.985 0.189 3.370) 4.506 7.336 ( 2.011 -1.414 -1.325) 2.793 7.380 ( -4.104 1.689 5.725) 7.244 7.440 ( 3.962 -0.671 -1.373) 4.247 7.479 ( -4.816 -3.333 -1.450) 6.034 7.622 ( 1.189 1.559 0.258) 1.978 7.706 ( 2.880 0.682 2.882) 4.131 7.798 ( 5.963 0.031 4.540) 7.495 7.951 ( 3.827 1.646 -3.768) 5.617 7.985 ( 3.414 3.348 2.605) 5.445 8.024 ( 7.486 6.464 6.102) 11.622 8.119 ( -1.843 -4.277 1.336) 4.845 8.192 ( 2.570 3.498 -3.723) 5.719 8.362 ( -0.823 0.433 -3.699) 3.814 8.491 ( 2.008 2.540 -0.761) 3.326 8.525 ( 4.719 1.606 1.175) 5.121 8.653 ( 2.658 -1.894 -2.607) 4.178 8.795 ( 3.274 1.033 -1.789) 3.871 8.842 ( 0.495 2.062 -0.323) 2.145 9.039 ( -3.707 2.486 -0.739) 4.524 9.131 ( -2.246 -5.098 1.246) 5.709 9.211 ( -0.817 -6.008 0.042) 6.064 9.333 ( -4.771 1.189 3.113) 5.820 9.394 ( -1.105 -0.899 -1.956) 2.420 9.473 ( -2.340 2.319 -0.432) 3.323 9.508 ( 0.288 1.602 -1.206) 2.026 9.639 ( -2.193 1.189 -1.148) 2.746 9.694 ( -1.309 -0.410 -1.191) 1.816 9.748 ( -5.787 1.866 0.483) 6.099 9.898 ( 2.934 1.362 0.768) 3.325 9.966 ( -2.021 -0.892 -1.921) 2.928 10.035 ( 2.896 0.984 -2.271) 3.809 10.177 ( 2.229 4.507 -2.721) 5.717 10.302 ( 0.168 -4.591 3.265) 5.637 10.361 ( -0.658 -1.878 1.499) 2.492 10.434 ( -0.364 -1.511 2.278) 2.757 10.512 ( -0.766 1.233 0.160) 1.461 10.615 ( -0.154 1.156 -3.198) 3.404 10.682 ( -1.786 1.109 -2.161) 3.015 10.704 ( -0.074 -0.482 -1.779) 1.845 10.755 ( -1.053 -1.187 -0.967) 1.858 10.778 ( 3.924 -1.734 2.643) 5.039 10.836 ( -1.906 1.255 0.840) 2.432 10.852 ( -0.835 0.829 0.712) 1.376 10.912 ( 0.266 -2.393 1.955) 3.102 10.953 ( 5.137 2.070 -1.409) 5.715 11.036 ( 1.094 1.332 1.630) 2.373 11.072 ( -0.002 -2.434 3.069) 3.917 11.144 ( -1.920 -0.282 2.247) 2.969 11.172 ( -0.224 0.811 1.355) 1.595 11.251 ( 0.960 0.878 -3.285) 3.533 11.341 ( 0.070 -3.934 0.905) 4.037 11.431 ( -0.231 -6.348 -8.473) 10.590 11.689 ( 0.589 -3.569 5.529) 6.607 11.787 ( -3.481 0.632 -0.807) 3.629 11.839 ( -6.812 1.885 -2.083) 7.369 11.903 ( 4.484 -7.004 0.919) 8.367 12.025 ( -0.222 2.442 -0.605) 2.526 12.047 ( 1.347 2.075 -1.894) 3.116 12.175 ( 2.078 2.073 2.151) 3.639 12.303 ( 0.974 2.486 -4.019) 4.825 12.367 ( -2.665 -4.093 4.278) 6.493 12.574 ( 4.013 2.019 -2.580) 5.181 12.621 ( 0.230 10.432 5.833) 11.954 12.857 ( 3.162 1.843 1.340) 3.898 13.536 ( -2.298 0.400 5.915) 6.359 13.806 ( 0.006 -6.249 2.708) 6.810 13.944 ( 0.268 -2.211 3.405) 4.069 14.043 ( -2.123 -8.637 -3.983) 9.745 14.159 ( 3.393 3.304 -0.328) 4.747 14.177 ( -1.000 -0.878 -3.778) 4.006 14.450 ( -0.797 -6.333 -1.367) 6.528 14.550 ( 2.467 -4.716 -3.908) 6.603 14.962 ( 0.989 1.476 0.449) 1.833 15.062 ( -0.185 2.099 -2.378) 3.177 15.203 ( -0.138 -0.611 5.078) 5.116 15.421 ( -4.472 -3.466 -4.404) 7.170 15.566 ( 0.484 6.410 -0.893) 6.490 15.598 ( -1.637 7.099 -6.952) 10.070 15.983 ( -4.710 1.935 7.024) 8.675 16.239 ( 2.290 -2.926 -0.141) 3.718 17.750 ( -0.051 4.855 0.136) 4.857 17.843 ( -3.217 1.785 -5.147) 6.327 18.176 ( -2.018 -5.501 2.379) 6.324 18.262 ( 1.505 -4.774 2.899) 5.785 18.584 ( -0.968 9.749 0.715) 9.823 18.739 ( 2.361 9.927 -4.374) 11.102 19.163 ( 1.298 -0.872 14.190) 14.276 19.300 ( -2.325 -3.253 1.727) 4.356 19.431 ( -1.356 -4.891 -0.242) 5.082 19.601 ( -7.788 -6.908 -1.884) 10.580 19.935 ( 0.702 3.560 0.662) 3.688 19.980 ( -4.628 3.692 -3.388) 6.821 20.035 ( 3.860 -0.087 2.416) 4.554 20.203 ( 2.524 -2.353 0.747) 3.531 20.268 ( 3.536 0.944 -2.711) 4.555 20.354 ( 0.349 1.476 -3.729) 4.026 20.555 ( -9.876 -5.155 -6.714) 13.007 20.677 ( -10.011 -4.021 -2.318) 11.034 20.795 ( 12.922 -0.030 -1.543) 13.013 20.885 ( 11.745 0.994 -2.162) 11.984 21.534 ( 2.231 1.327 4.447) 5.149 21.663 ( 1.361 -1.092 7.231) 7.438 21.753 ( -1.307 5.167 -3.599) 6.431 22.003 ( 3.550 -1.772 -2.689) 4.793 23.319 ( -0.757 0.392 0.953) 1.279 23.353 ( -0.702 -0.395 0.102) 0.812 23.381 ( 0.087 0.377 0.989) 1.062 23.446 ( -2.443 -1.152 -1.827) 3.261 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -28.555 12.451 4.270) 31.442 1.563 ( -27.742 16.338 2.017) 32.259 2.271 ( -7.665 -5.430 -5.660) 10.967 2.342 ( -17.943 8.352 -0.544) 19.799 2.391 ( -11.419 1.076 -2.918) 11.835 2.447 ( -8.647 1.883 6.228) 10.821 2.592 ( -4.263 2.764 -3.283) 6.049 2.707 ( -2.868 1.120 -3.372) 4.566 2.822 ( 2.227 1.497 1.129) 2.911 2.846 ( 0.295 -12.821 3.468) 13.285 2.918 ( -7.338 -1.115 -1.276) 7.531 3.017 ( 2.297 1.987 -1.043) 3.211 3.131 ( 6.025 -6.085 2.568) 8.940 3.187 ( 6.738 -0.415 3.624) 7.662 3.216 ( 6.945 2.110 6.388) 9.669 3.406 ( 0.745 -2.193 -4.769) 5.301 3.478 ( -2.337 -2.269 6.355) 7.141 3.500 ( -2.160 -4.710 -3.142) 6.060 3.538 ( -6.796 1.104 0.782) 6.929 3.595 ( 3.626 -3.360 -2.764) 5.663 3.656 ( -2.219 -2.855 3.376) 4.947 3.691 ( 2.864 -2.233 -0.815) 3.722 3.764 ( 4.945 0.989 -0.141) 5.045 3.820 ( 2.990 1.769 -1.727) 3.879 3.856 ( -5.277 3.718 -1.353) 6.595 3.945 ( 4.319 2.244 3.285) 5.872 4.118 ( -6.385 10.292 1.352) 12.187 4.170 ( 1.218 -0.131 -1.117) 1.658 4.188 ( -3.454 9.172 0.260) 9.804 4.278 ( -0.530 2.647 -2.246) 3.511 4.300 ( -2.617 3.437 -1.337) 4.522 4.336 ( -1.235 0.914 -0.281) 1.562 4.353 ( -4.125 4.223 -3.306) 6.766 4.410 ( -1.346 0.497 2.344) 2.749 4.572 ( -5.301 0.003 -0.093) 5.302 4.581 ( -4.909 6.217 3.191) 8.540 4.654 ( -0.701 4.287 -1.056) 4.471 4.739 ( -2.715 -0.128 3.621) 4.528 4.810 ( -4.506 -4.248 -3.001) 6.882 4.829 ( -6.996 -1.193 4.848) 8.595 4.885 ( -1.313 -3.757 1.416) 4.224 4.987 ( -2.049 1.574 -1.904) 3.210 5.072 ( -2.397 -2.282 -5.857) 6.727 5.142 ( -5.248 -2.573 0.035) 5.845 5.245 ( -2.717 -1.007 0.579) 2.955 5.279 ( -3.011 -1.303 -2.265) 3.987 5.353 ( -4.133 -6.359 -0.359) 7.593 5.442 ( -2.738 -3.183 3.540) 5.493 5.460 ( 1.025 0.513 -14.805) 14.849 5.559 ( -4.194 5.598 6.223) 9.363 5.642 ( -4.505 -8.267 4.884) 10.606 5.715 ( -5.816 2.041 -0.348) 6.173 5.870 ( 6.042 2.742 2.756) 7.185 5.879 ( -4.111 0.673 -7.712) 8.766 6.089 ( -0.975 -1.229 -2.580) 3.019 6.142 ( 7.528 2.510 -0.838) 7.980 6.243 ( 8.819 4.363 7.533) 12.391 6.307 ( -0.641 -4.138 -5.264) 6.726 6.323 ( -4.310 -4.413 3.159) 6.930 6.497 ( 7.675 -1.850 1.650) 8.066 6.606 ( 5.012 0.464 -4.166) 6.534 6.698 ( 3.925 -0.360 -0.042) 3.942 6.783 ( 7.578 -2.616 0.984) 8.077 6.812 ( 1.916 -2.938 -1.831) 3.957 6.858 ( -3.979 -6.454 1.714) 7.774 6.894 ( -0.500 1.296 -1.185) 1.826 6.963 ( 1.094 2.224 3.522) 4.307 7.012 ( 6.349 4.551 3.271) 8.468 7.136 ( 4.109 -1.610 -3.200) 5.452 7.236 ( 1.154 3.675 0.788) 3.931 7.288 ( 2.699 -1.025 -3.951) 4.893 7.327 ( 1.177 1.747 6.346) 6.686 7.372 ( 1.666 -1.474 -2.870) 3.631 7.434 ( 3.786 2.005 -0.616) 4.329 7.496 ( 3.686 2.840 3.250) 5.676 7.513 ( 5.420 -2.015 4.552) 7.359 7.645 ( 2.386 -0.234 3.492) 4.236 7.822 ( 4.324 0.694 2.056) 4.838 7.961 ( -0.797 0.056 -4.082) 4.160 7.983 ( 7.217 -5.956 3.073) 9.849 8.094 ( 3.897 2.969 1.031) 5.006 8.137 ( 7.876 0.484 3.826) 8.769 8.231 ( 0.365 2.340 -2.703) 3.594 8.264 ( 5.841 4.936 2.271) 7.977 8.338 ( 10.050 7.820 -1.320) 12.803 8.560 ( 2.419 1.046 -0.542) 2.691 8.643 ( 4.112 -1.634 2.875) 5.277 8.687 ( 3.533 -0.781 -3.711) 5.183 8.839 ( -1.107 1.763 2.419) 3.191 8.879 ( 3.331 1.034 -0.249) 3.496 8.978 ( 0.523 -0.077 -2.468) 2.524 9.070 ( -4.310 -2.530 -0.425) 5.015 9.196 ( -0.662 -4.174 -1.087) 4.363 9.234 ( -5.509 -4.142 0.015) 6.892 9.353 ( -2.949 0.972 0.707) 3.185 9.374 ( -6.601 2.336 0.168) 7.004 9.443 ( -6.608 3.749 -0.323) 7.604 9.557 ( -3.854 2.352 -1.354) 4.714 9.619 ( -2.152 2.057 1.270) 3.237 9.688 ( -5.322 -0.999 2.754) 6.075 9.895 ( 0.021 0.702 -4.568) 4.621 9.953 ( 1.905 0.853 -1.470) 2.553 10.103 ( 5.356 -0.181 -4.665) 7.105 10.224 ( 3.497 1.802 -1.180) 4.107 10.316 ( -2.799 -6.078 5.126) 8.429 10.374 ( -0.946 0.505 5.554) 5.656 10.423 ( -1.372 -0.139 -0.112) 1.383 10.503 ( -0.837 -2.037 3.055) 3.766 10.544 ( -1.643 3.662 0.050) 4.014 10.641 ( -0.151 2.115 -5.155) 5.574 10.692 ( -1.591 -1.672 -4.119) 4.722 10.725 ( -4.521 -1.984 1.213) 5.084 10.764 ( 0.844 -0.040 -0.938) 1.263 10.798 ( -5.118 -4.148 -1.387) 6.732 10.888 ( 0.418 0.180 0.703) 0.837 10.925 ( 2.505 0.391 0.633) 2.613 10.961 ( -2.340 0.111 0.158) 2.348 11.075 ( -1.453 -1.084 -0.800) 1.982 11.094 ( 4.261 1.328 -0.479) 4.488 11.148 ( 2.553 -1.355 -0.888) 3.023 11.203 ( 1.370 -0.234 -4.561) 4.768 11.279 ( 0.363 -0.893 5.813) 5.892 11.349 ( 0.202 -7.293 0.193) 7.299 11.400 ( 2.725 -3.004 -3.510) 5.364 11.652 ( -6.328 -1.666 -0.319) 6.552 11.690 ( -6.248 -0.364 -2.166) 6.623 11.739 ( -1.942 0.913 4.581) 5.059 11.959 ( -1.596 2.862 -1.406) 3.566 12.032 ( 2.959 -6.747 1.868) 7.600 12.080 ( 3.406 -2.157 -4.097) 5.748 12.237 ( 2.499 1.017 2.155) 3.453 12.312 ( 1.630 4.001 -1.490) 4.570 12.356 ( -1.072 -2.303 3.313) 4.174 12.569 ( -0.995 5.978 1.064) 6.153 12.734 ( 4.809 4.903 1.455) 7.020 12.889 ( 0.571 1.739 -2.889) 3.420 13.518 ( -4.216 -1.469 8.819) 9.885 13.799 ( -1.159 -7.136 0.702) 7.263 13.974 ( 0.860 -2.229 3.190) 3.986 14.016 ( 0.102 -5.609 -1.209) 5.739 14.125 ( -0.069 -0.044 -7.998) 7.998 14.228 ( 4.174 2.429 -2.865) 5.615 14.462 ( 1.657 -1.848 2.868) 3.793 14.546 ( 0.434 -3.669 -6.170) 7.191 14.864 ( -7.746 3.046 -6.899) 10.811 15.091 ( 2.157 -4.582 0.385) 5.079 15.190 ( -5.735 -4.461 3.579) 8.099 15.321 ( -1.060 -2.165 0.703) 2.511 15.546 ( 0.207 7.390 -2.007) 7.660 15.617 ( 3.518 6.660 0.729) 7.567 15.922 ( -4.942 3.416 5.322) 8.026 16.281 ( 1.710 -3.673 0.369) 4.068 17.707 ( -3.290 3.258 -1.858) 4.989 17.756 ( -3.198 4.917 -1.414) 6.033 18.132 ( -3.726 -6.893 1.472) 7.972 18.258 ( -3.095 -8.164 -0.083) 8.731 18.578 ( -0.106 9.476 0.980) 9.527 18.755 ( 1.955 7.401 -3.932) 8.606 19.155 ( -6.610 -5.798 6.733) 11.075 19.287 ( -7.352 -8.273 -6.411) 12.791 19.406 ( 2.437 -3.100 13.129) 13.709 19.440 ( -9.626 -2.474 5.447) 11.334 19.815 ( -2.310 11.812 -7.175) 14.012 19.973 ( -0.215 4.826 5.248) 7.133 20.147 ( 3.880 -0.035 -0.609) 3.927 20.197 ( 2.045 0.578 -3.488) 4.084 20.281 ( -7.061 -2.365 -9.650) 12.189 20.329 ( -0.770 0.909 -3.136) 3.355 20.408 ( -0.996 2.365 -3.117) 4.037 20.659 ( 13.444 -4.470 1.577) 14.255 21.010 ( 10.226 -1.297 -1.299) 10.389 21.156 ( 13.205 -3.623 0.567) 13.704 21.621 ( 3.243 2.953 4.939) 6.606 21.726 ( 1.249 7.906 -3.929) 8.916 21.766 ( 4.053 -0.740 5.839) 7.146 22.074 ( 5.066 -1.270 -3.088) 6.068 23.300 ( -2.061 0.258 0.504) 2.137 23.311 ( -2.485 0.135 -0.089) 2.490 23.362 ( -4.342 -0.849 -2.048) 4.875 23.388 ( -0.728 -0.754 1.439) 1.780 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -22.170 22.268 8.225) 32.481 1.092 ( -23.910 22.660 10.272) 34.506 1.726 ( -31.792 33.858 20.128) 50.619 2.184 ( 0.153 -3.138 -8.132) 8.718 2.191 ( -5.266 2.407 -3.409) 6.719 2.472 ( -3.230 1.953 -5.428) 6.611 2.480 ( -0.269 -4.032 4.612) 6.132 2.655 ( -6.067 -11.980 1.112) 13.474 2.738 ( 1.097 -3.479 -2.448) 4.393 2.822 ( -3.418 -4.893 -2.105) 6.329 2.930 ( 2.140 1.473 0.523) 2.650 3.020 ( -0.898 -0.038 0.543) 1.051 3.184 ( -1.181 -5.043 -1.131) 5.302 3.201 ( -3.419 -2.411 0.423) 4.205 3.268 ( -3.606 1.657 -6.111) 7.287 3.364 ( -5.342 1.933 -1.157) 5.798 3.398 ( 3.003 -2.396 3.952) 5.511 3.488 ( -0.586 -1.571 5.937) 6.169 3.557 ( 2.860 0.231 6.082) 6.725 3.596 ( -1.372 -0.629 0.013) 1.509 3.679 ( -1.239 -0.880 0.957) 1.796 3.705 ( -0.676 2.581 2.017) 3.344 3.745 ( -0.096 -2.786 -0.838) 2.911 3.845 ( 3.156 6.531 2.556) 7.691 3.951 ( -0.955 4.943 -2.997) 5.859 4.020 ( -0.092 -0.404 -2.851) 2.881 4.069 ( 4.165 3.276 -6.499) 8.386 4.097 ( 3.625 3.492 -4.210) 6.562 4.178 ( -3.408 5.026 0.825) 6.128 4.211 ( -2.638 6.064 0.535) 6.635 4.276 ( 0.728 3.905 -5.564) 6.836 4.334 ( -0.746 5.556 0.209) 5.610 4.406 ( 0.330 2.931 1.673) 3.391 4.436 ( 2.111 0.225 0.880) 2.298 4.465 ( 4.055 -3.378 3.043) 6.092 4.538 ( -2.918 -4.792 0.852) 5.675 4.614 ( -3.611 3.023 3.962) 6.154 4.634 ( -4.861 2.834 -1.021) 5.719 4.738 ( -4.963 -7.071 5.028) 9.995 4.793 ( 3.231 -0.950 0.615) 3.424 4.853 ( -7.479 -2.849 0.676) 8.032 4.916 ( 0.266 -1.213 -3.516) 3.729 4.950 ( -3.179 -2.322 -7.308) 8.300 5.105 ( -0.248 -1.176 -0.765) 1.424 5.171 ( -3.539 -3.545 2.708) 5.695 5.214 ( -1.965 2.282 -5.435) 6.214 5.254 ( -2.643 -2.950 -2.187) 4.525 5.302 ( -6.455 -13.453 -1.582) 15.005 5.447 ( -8.198 -1.623 4.545) 9.513 5.468 ( -1.485 2.087 0.340) 2.584 5.559 ( -7.512 -1.939 -0.349) 7.766 5.638 ( -0.140 -5.493 1.977) 5.839 5.863 ( 5.600 1.262 -6.717) 8.836 6.000 ( 1.053 -0.576 6.675) 6.782 6.082 ( 3.955 2.123 -5.360) 6.992 6.188 ( -3.630 -7.408 1.929) 8.473 6.253 ( 3.308 3.630 -1.616) 5.170 6.363 ( 1.554 2.066 6.613) 7.101 6.451 ( 7.633 3.602 3.585) 9.170 6.549 ( -0.978 3.811 -8.639) 9.492 6.670 ( 7.469 0.325 0.605) 7.501 6.735 ( -2.094 -1.326 3.535) 4.317 6.773 ( -2.834 -9.346 -1.364) 9.861 6.885 ( 0.855 2.623 -3.110) 4.157 6.891 ( 5.410 -8.258 -0.155) 9.874 6.935 ( 0.617 -4.731 4.121) 6.304 7.034 ( 1.801 0.735 6.386) 6.676 7.146 ( 5.754 6.967 -3.707) 9.767 7.159 ( 2.229 3.889 -4.193) 6.138 7.215 ( 0.596 2.747 -3.597) 4.565 7.338 ( 2.443 3.545 -4.199) 6.014 7.377 ( 2.563 1.935 -0.738) 3.295 7.454 ( 1.953 -0.046 8.595) 8.814 7.456 ( 0.153 4.453 1.813) 4.811 7.590 ( 6.737 1.275 0.069) 6.857 7.686 ( 5.755 -4.248 2.397) 7.544 7.791 ( 4.888 -4.209 10.206) 12.074 7.861 ( -3.504 5.208 0.457) 6.294 7.903 ( 1.601 5.496 -3.417) 6.667 8.070 ( -0.334 -5.316 0.560) 5.356 8.132 ( 0.819 -1.117 1.268) 1.878 8.237 ( 5.335 -0.160 1.928) 5.675 8.378 ( 5.168 1.637 -1.058) 5.523 8.408 ( 11.558 5.212 2.698) 12.962 8.535 ( -2.917 6.122 2.061) 7.088 8.586 ( 11.328 4.580 2.638) 12.500 8.660 ( -6.348 -6.949 0.701) 9.438 8.769 ( 0.609 4.793 0.598) 4.869 8.781 ( 6.195 0.331 -7.926) 10.065 8.929 ( -1.044 -1.830 0.736) 2.232 8.987 ( 2.495 -2.481 3.009) 4.630 9.075 ( 2.315 2.413 -1.248) 3.569 9.120 ( -4.118 -1.350 -2.137) 4.832 9.158 ( -1.380 -1.016 -1.494) 2.274 9.235 ( -5.462 -0.975 -2.605) 6.129 9.295 ( -0.048 1.673 -1.589) 2.308 9.401 ( -2.921 0.544 5.714) 6.441 9.461 ( -4.703 1.055 3.222) 5.798 9.541 ( -5.178 3.175 2.124) 6.434 9.638 ( -0.915 2.617 2.123) 3.492 9.895 ( -1.211 0.029 0.288) 1.245 10.002 ( 6.215 -2.272 -3.557) 7.513 10.182 ( 5.823 -2.276 -6.459) 8.989 10.239 ( -3.234 -3.070 0.788) 4.529 10.265 ( -2.678 -3.008 0.858) 4.118 10.386 ( 0.379 1.762 3.525) 3.959 10.431 ( 1.516 0.780 1.138) 2.049 10.493 ( -5.879 -8.003 0.866) 9.968 10.566 ( -1.999 2.941 -4.255) 5.546 10.581 ( -5.918 -2.468 0.087) 6.412 10.598 ( 0.408 0.676 1.775) 1.943 10.617 ( -4.541 -2.108 -3.077) 5.876 10.665 ( -3.057 -3.704 -1.988) 5.197 10.798 ( -0.412 -1.886 -1.249) 2.299 10.864 ( 0.590 1.041 -3.508) 3.706 10.917 ( -1.059 1.579 -1.886) 2.678 10.959 ( -0.177 -0.361 -2.632) 2.662 11.028 ( -6.116 -5.117 -1.581) 8.129 11.121 ( 0.324 1.621 -4.920) 5.190 11.174 ( 0.740 -1.016 -2.220) 2.551 11.217 ( 0.293 -1.754 1.105) 2.093 11.279 ( 1.437 -0.989 1.457) 2.273 11.368 ( 0.416 -5.748 3.705) 6.851 11.441 ( -3.292 -5.555 0.050) 6.457 11.542 ( -2.024 0.132 1.317) 2.418 11.594 ( -0.490 1.418 -1.483) 2.109 11.703 ( -4.334 3.265 2.984) 6.192 11.898 ( -1.672 6.466 -7.138) 9.776 12.063 ( 0.574 -3.969 -0.386) 4.028 12.131 ( 2.406 -6.180 -3.435) 7.469 12.244 ( -4.259 -1.633 -0.016) 4.561 12.315 ( 0.066 -1.032 3.385) 3.539 12.381 ( 0.624 3.395 1.691) 3.844 12.562 ( -0.393 8.901 1.044) 8.971 12.794 ( 2.581 -0.109 -4.037) 4.792 12.850 ( -1.582 -0.537 -4.514) 4.814 13.484 ( -5.248 0.921 10.040) 11.367 13.797 ( 0.178 -7.667 2.345) 8.019 13.998 ( -0.936 -2.842 -0.350) 3.012 14.007 ( 0.350 -1.115 -4.360) 4.514 14.089 ( 3.078 6.048 -8.306) 10.726 14.271 ( 1.851 4.900 -3.900) 6.530 14.450 ( -1.904 -2.795 -5.308) 6.294 14.580 ( 3.319 -2.281 2.047) 4.518 14.675 ( -4.812 4.077 -0.846) 6.363 15.033 ( -4.816 -7.660 -2.137) 9.297 15.169 ( 0.201 -1.112 3.376) 3.560 15.325 ( -1.956 -2.107 2.015) 3.511 15.608 ( 4.151 3.154 6.603) 8.413 15.680 ( 1.651 1.097 1.001) 2.221 15.900 ( 0.065 4.743 8.782) 9.981 16.305 ( 0.392 -4.232 0.256) 4.258 17.644 ( -1.166 3.282 -2.044) 4.038 17.695 ( -1.961 5.894 -0.772) 6.260 18.054 ( -4.457 -7.266 0.189) 8.526 18.137 ( -8.541 -10.812 -2.947) 14.091 18.583 ( -0.302 8.409 1.287) 8.512 18.773 ( 2.846 5.685 -4.815) 7.975 18.991 ( -12.416 -3.285 -1.500) 12.931 19.154 ( -1.813 -9.420 0.719) 9.620 19.279 ( -10.382 -2.888 7.095) 12.903 19.434 ( -3.014 1.321 -2.808) 4.326 19.772 ( -2.128 4.315 -3.564) 5.988 19.966 ( -4.160 1.230 -10.749) 11.592 20.144 ( -1.889 -0.776 1.370) 2.459 20.151 ( -1.959 3.056 -2.063) 4.175 20.258 ( 8.694 0.477 -4.613) 9.854 20.330 ( 1.905 -1.068 -0.018) 2.184 20.581 ( 20.199 13.238 13.118) 27.483 20.984 ( 15.166 -1.281 3.696) 15.662 21.177 ( 6.222 -1.538 -0.296) 6.416 21.321 ( 3.422 -8.792 -0.742) 9.464 21.709 ( 1.403 4.293 2.766) 5.296 21.746 ( 3.282 10.050 -2.429) 10.848 21.873 ( 3.045 -0.286 5.234) 6.062 22.161 ( 6.677 1.139 -3.976) 7.854 23.244 ( -3.569 -1.384 -0.148) 3.831 23.262 ( -2.381 -0.669 -0.595) 2.544 23.286 ( -2.036 1.020 -0.029) 2.278 23.372 ( -1.318 -0.982 0.253) 1.663 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -1.158 26.979 8.225) 28.229 1.447 ( 3.704 28.919 12.044) 31.545 1.831 ( 2.504 -20.382 4.069) 20.934 1.985 ( 1.364 -25.109 5.398) 25.719 2.242 ( 0.417 4.931 -7.708) 9.160 2.366 ( 1.065 -6.991 3.258) 7.787 2.526 ( -1.366 9.844 -9.882) 14.015 2.634 ( 2.372 36.269 8.456) 37.317 2.708 ( 0.017 -8.907 -7.005) 11.332 2.891 ( 3.280 2.870 0.383) 4.375 2.912 ( 0.186 0.115 0.903) 0.929 3.016 ( -1.367 9.018 -2.843) 9.554 3.109 ( 3.352 -7.199 2.253) 8.255 3.175 ( -1.722 3.464 3.569) 5.263 3.239 ( -5.129 -4.854 3.311) 7.800 3.296 ( -1.781 4.004 1.176) 4.537 3.302 ( -2.329 -2.199 3.121) 4.473 3.405 ( 2.231 -6.745 0.577) 7.127 3.497 ( -0.789 -1.998 8.274) 8.548 3.677 ( -3.363 -3.285 0.170) 4.704 3.712 ( -3.581 6.041 -4.422) 8.299 3.811 ( 1.273 5.793 -1.111) 6.034 3.877 ( 8.024 -11.364 2.395) 14.117 3.918 ( 0.013 7.045 -3.472) 7.854 3.972 ( -6.341 -1.798 -1.419) 6.742 4.035 ( -0.361 2.601 -1.572) 3.061 4.110 ( 4.384 -0.144 -3.255) 5.462 4.179 ( -0.467 -1.543 -0.209) 1.625 4.209 ( -0.806 5.997 -2.354) 6.493 4.266 ( 3.051 -1.230 -0.852) 3.398 4.291 ( 1.478 -3.471 -2.219) 4.377 4.306 ( -1.983 1.057 2.054) 3.044 4.332 ( -2.320 -6.180 -0.559) 6.625 4.385 ( 0.674 -4.814 0.136) 4.863 4.400 ( 0.905 0.346 -0.977) 1.376 4.491 ( -2.095 3.996 0.669) 4.561 4.558 ( -0.386 -5.846 1.510) 6.050 4.628 ( -4.111 6.938 5.311) 9.657 4.669 ( 2.511 -0.491 -0.335) 2.581 4.707 ( -4.372 -2.644 -2.694) 5.776 4.798 ( 4.240 2.198 2.286) 5.295 4.836 ( 1.629 -1.394 1.607) 2.679 4.935 ( -0.754 -2.958 -0.954) 3.198 5.003 ( 0.618 -5.731 3.939) 6.982 5.088 ( -1.858 0.359 2.961) 3.514 5.171 ( 0.199 0.737 -1.506) 1.689 5.215 ( -3.371 1.092 -4.268) 5.547 5.252 ( 2.393 1.896 -3.934) 4.979 5.355 ( -4.022 -1.502 -5.099) 6.666 5.367 ( 6.310 -1.158 -0.015) 6.416 5.498 ( 0.537 2.880 4.467) 5.342 5.581 ( 3.956 -4.948 2.103) 6.675 5.976 ( 1.636 -2.135 -4.776) 5.481 5.991 ( -0.536 -4.576 -4.293) 6.297 6.041 ( 1.581 5.413 -2.821) 6.306 6.168 ( 2.578 -3.373 -4.154) 5.940 6.279 ( -4.145 0.743 -7.266) 8.399 6.385 ( -1.130 -4.900 -4.384) 6.671 6.515 ( -5.061 2.928 -0.308) 5.855 6.571 ( -4.833 6.144 -4.587) 9.063 6.607 ( -4.447 -5.272 -0.229) 6.901 6.654 ( 2.873 3.443 7.172) 8.459 6.690 ( 0.850 -3.868 3.392) 5.215 6.794 ( 2.621 -7.274 2.103) 8.013 6.925 ( 4.593 0.140 4.362) 6.335 6.952 ( 4.773 -1.085 -0.016) 4.895 7.185 ( -1.093 5.051 2.093) 5.576 7.241 ( -4.408 6.421 -1.951) 8.029 7.250 ( -0.704 1.635 -1.148) 2.118 7.336 ( -0.645 6.211 0.589) 6.273 7.382 ( 1.183 0.499 0.316) 1.322 7.442 ( -3.315 -2.204 3.676) 5.419 7.489 ( 0.512 -5.842 -0.122) 5.865 7.531 ( 0.622 -3.117 2.982) 4.358 7.600 ( 0.917 5.025 3.645) 6.275 7.707 ( 1.510 -4.945 2.891) 5.924 7.808 ( 0.413 2.446 5.808) 6.316 7.857 ( -2.448 -2.131 5.540) 6.421 8.012 ( -1.493 3.550 1.820) 4.259 8.109 ( 0.804 -1.116 1.525) 2.054 8.156 ( -3.197 6.899 1.731) 7.798 8.336 ( -1.799 -7.124 0.121) 7.349 8.441 ( 6.167 3.116 0.088) 6.910 8.461 ( -3.281 1.703 -5.185) 6.368 8.514 ( -2.737 1.547 -0.497) 3.183 8.564 ( 0.543 -3.836 2.558) 4.643 8.746 ( -0.491 4.591 1.218) 4.776 8.781 ( -3.617 0.170 0.990) 3.754 8.846 ( -1.493 3.219 1.205) 3.747 8.917 ( 2.476 -2.972 2.811) 4.781 9.000 ( 2.112 -1.407 -2.955) 3.895 9.018 ( 1.066 -2.428 -6.211) 6.753 9.090 ( -0.157 0.057 -7.279) 7.280 9.110 ( -1.561 -1.475 -3.073) 3.749 9.265 ( 7.849 5.462 -1.317) 9.652 9.391 ( 4.877 -5.040 1.896) 7.265 9.412 ( -0.397 1.078 6.260) 6.364 9.451 ( -5.251 -2.113 6.065) 8.296 9.582 ( 1.626 4.551 1.131) 4.963 9.628 ( 0.769 -0.415 -1.201) 1.486 9.848 ( -5.208 7.669 2.210) 9.530 9.985 ( -6.250 -6.577 2.141) 9.323 10.062 ( 2.722 0.295 -2.509) 3.714 10.100 ( 0.467 -3.057 -2.124) 3.751 10.251 ( 1.868 -0.956 1.056) 2.349 10.261 ( 0.685 -1.227 -1.288) 1.906 10.442 ( 1.159 1.375 -1.191) 2.157 10.462 ( -0.145 -0.316 -1.695) 1.731 10.521 ( -2.368 3.108 -0.998) 4.033 10.571 ( -0.923 -0.870 -2.017) 2.383 10.603 ( 1.183 -0.735 0.021) 1.393 10.628 ( 2.781 -3.355 2.266) 4.911 10.648 ( 1.829 4.975 -1.226) 5.441 10.751 ( -1.857 5.128 -4.811) 7.272 10.766 ( -0.497 -6.188 -3.904) 7.334 10.851 ( -2.556 -4.062 -4.109) 6.318 10.941 ( 1.775 2.070 1.118) 2.947 10.985 ( 3.428 -1.934 -0.099) 3.937 11.147 ( 0.183 2.288 1.021) 2.513 11.172 ( 0.409 0.496 -0.620) 0.893 11.232 ( -0.633 1.441 0.413) 1.628 11.281 ( -1.491 -3.679 1.744) 4.336 11.354 ( 3.156 -0.873 1.688) 3.684 11.360 ( 2.457 -1.669 1.308) 3.245 11.548 ( -0.703 1.365 0.175) 1.545 11.584 ( -1.515 -2.119 0.814) 2.729 11.734 ( -2.576 7.134 -2.538) 7.998 11.875 ( -1.909 -5.739 -6.494) 8.875 12.036 ( 2.231 0.244 -3.632) 4.269 12.052 ( 2.197 -1.598 -4.733) 5.457 12.201 ( -3.079 4.392 6.566) 8.478 12.290 ( -1.723 -3.845 5.385) 6.837 12.511 ( 1.238 8.102 1.006) 8.257 12.653 ( 0.828 -3.396 1.316) 3.735 12.732 ( -1.897 0.786 -6.642) 6.952 12.776 ( -2.612 -1.529 -4.228) 5.199 13.584 ( -1.712 8.211 6.906) 10.865 13.717 ( 0.479 -5.241 4.904) 7.193 13.919 ( -1.138 -1.559 -0.401) 1.972 13.955 ( -0.161 -4.527 0.744) 4.591 14.230 ( 2.285 4.961 -0.230) 5.467 14.319 ( -0.985 0.676 -6.874) 6.977 14.370 ( 0.564 0.259 -4.633) 4.675 14.467 ( -2.621 -5.392 -6.182) 8.612 14.856 ( 6.722 3.113 4.464) 8.649 14.905 ( 4.342 -2.802 4.158) 6.633 15.182 ( -3.168 3.891 3.061) 5.878 15.259 ( -1.446 -3.206 1.221) 3.723 15.710 ( 0.173 2.097 3.302) 3.915 15.740 ( 2.045 -0.942 5.770) 6.194 16.038 ( -1.152 6.555 2.878) 7.251 16.182 ( -0.695 -7.385 -0.308) 7.424 17.724 ( 2.255 4.756 -1.585) 5.497 17.778 ( 1.884 2.873 -3.271) 4.743 17.854 ( -1.095 -2.405 0.496) 2.689 17.918 ( -1.545 -5.325 -1.680) 5.794 18.762 ( -0.813 9.116 1.941) 9.356 18.854 ( -2.706 1.254 -0.438) 3.014 18.906 ( 4.113 2.453 -3.232) 5.778 18.991 ( 2.429 -8.425 1.866) 8.964 19.153 ( -5.760 6.445 7.180) 11.237 19.323 ( -2.944 -7.632 3.715) 8.984 19.831 ( 0.758 5.708 -4.837) 7.520 19.916 ( 1.389 -2.412 -4.398) 5.205 20.092 ( -0.814 2.592 -0.823) 2.839 20.131 ( 0.739 -1.014 -0.763) 1.469 20.279 ( 0.450 -0.511 -3.865) 3.924 20.311 ( -0.184 -2.714 -2.773) 3.884 21.018 ( 1.425 1.523 3.790) 4.326 21.093 ( -3.938 -5.716 -0.662) 6.973 21.225 ( 4.506 0.213 0.422) 4.531 21.252 ( 2.410 -2.478 1.107) 3.629 21.768 ( -3.013 3.707 -1.671) 5.061 21.813 ( -2.708 -0.748 -2.893) 4.033 22.048 ( 2.053 8.000 2.066) 8.514 22.199 ( 3.058 -6.917 -2.981) 8.129 23.203 ( 0.514 1.304 1.214) 1.854 23.230 ( 0.954 -1.343 1.135) 2.001 23.284 ( -0.757 1.690 -0.848) 2.036 23.318 ( -0.866 -1.738 -1.002) 2.185 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 13.029 22.901 8.262) 27.613 1.751 ( 15.981 17.802 13.114) 27.281 1.966 ( 8.141 -15.415 -0.399) 17.437 2.105 ( 8.563 -10.506 1.140) 13.601 2.330 ( 11.765 2.380 -3.310) 12.451 2.430 ( 3.717 -5.257 -1.760) 6.674 2.525 ( 2.982 -2.068 -3.934) 5.352 2.641 ( 0.834 -3.429 -3.002) 4.633 2.787 ( -3.755 9.334 -1.656) 10.196 2.826 ( 1.725 5.267 -1.077) 5.646 2.939 ( -0.817 6.261 4.821) 7.944 2.982 ( -2.190 3.655 -2.767) 5.080 3.056 ( -4.717 -1.149 -0.323) 4.866 3.190 ( -3.659 1.923 2.872) 5.033 3.212 ( 2.819 -7.132 0.379) 7.678 3.266 ( -1.838 -3.277 2.741) 4.651 3.345 ( 2.465 9.544 -1.292) 9.942 3.493 ( -2.983 -1.016 1.083) 3.332 3.557 ( 1.844 -2.133 0.220) 2.828 3.570 ( 1.481 1.551 2.226) 3.091 3.630 ( 1.785 0.240 6.873) 7.105 3.794 ( -3.191 -0.843 -2.771) 4.310 3.863 ( -4.001 4.111 -2.725) 6.351 3.902 ( 2.387 8.914 5.549) 10.768 4.025 ( -10.531 -5.816 -3.509) 12.531 4.064 ( 5.905 6.669 0.954) 8.959 4.097 ( 5.911 -2.672 0.033) 6.487 4.139 ( 3.380 -6.336 -2.736) 7.685 4.211 ( 3.511 6.425 -0.396) 7.333 4.240 ( -2.689 3.405 -1.726) 4.669 4.276 ( 3.092 -5.011 1.195) 6.008 4.303 ( -4.913 -0.351 -1.931) 5.291 4.400 ( 4.770 3.054 1.822) 5.950 4.444 ( 3.867 -3.019 -0.543) 4.936 4.449 ( 3.990 5.510 -0.736) 6.843 4.519 ( 4.283 -0.700 3.652) 5.671 4.586 ( 4.661 -4.610 4.964) 8.223 4.634 ( -0.947 -6.973 0.119) 7.038 4.701 ( 1.671 4.102 1.383) 4.640 4.751 ( 9.547 2.369 -3.637) 10.487 4.838 ( -1.474 0.058 -0.921) 1.739 4.905 ( 4.500 1.123 2.637) 5.335 4.997 ( 3.078 -10.394 0.226) 10.842 5.027 ( 2.950 -3.538 -0.031) 4.607 5.085 ( 1.949 -2.630 0.043) 3.273 5.157 ( 0.309 -2.971 2.519) 3.907 5.219 ( 2.962 6.410 -6.000) 9.266 5.293 ( 3.538 3.309 -4.137) 6.370 5.317 ( 4.098 -2.864 0.799) 5.063 5.442 ( 3.794 -2.419 -0.266) 4.507 5.652 ( 6.780 4.645 6.478) 10.464 5.724 ( 6.815 -3.227 -0.370) 7.549 5.931 ( -0.807 -3.576 -7.059) 7.954 5.952 ( -1.049 -3.977 -11.149) 11.883 6.039 ( 3.015 -1.321 -0.842) 3.398 6.119 ( -2.697 -4.700 -9.451) 10.895 6.174 ( -2.054 3.724 -0.963) 4.360 6.295 ( -5.591 -7.086 -3.709) 9.759 6.362 ( -7.101 5.645 -3.089) 9.583 6.450 ( -2.836 -1.974 -2.244) 4.120 6.563 ( -3.464 1.041 4.021) 5.409 6.642 ( -2.461 -5.169 1.171) 5.844 6.780 ( 1.679 6.245 4.981) 8.163 6.815 ( -2.612 1.799 4.359) 5.391 6.940 ( -6.570 2.485 -2.240) 7.372 7.030 ( -1.406 -4.519 1.544) 4.978 7.125 ( -4.489 4.173 -0.895) 6.194 7.158 ( -3.107 2.668 2.979) 5.064 7.240 ( 1.364 1.049 0.337) 1.754 7.290 ( -3.182 1.086 0.873) 3.473 7.352 ( -5.903 -1.898 -0.526) 6.223 7.382 ( -3.357 -2.199 5.234) 6.596 7.453 ( -5.872 2.920 3.643) 7.502 7.514 ( -1.940 -1.416 0.549) 2.464 7.644 ( -0.211 1.447 2.921) 3.266 7.690 ( -2.673 -2.182 2.192) 4.088 7.809 ( -4.102 1.840 2.395) 5.094 7.870 ( -1.311 -4.326 4.691) 6.514 7.990 ( -3.354 4.260 3.411) 6.405 8.046 ( -5.416 -1.684 1.923) 5.989 8.119 ( -1.220 7.468 -1.097) 7.647 8.251 ( -5.213 -4.247 -0.983) 6.796 8.377 ( -4.005 2.755 1.227) 5.014 8.423 ( -6.616 -0.772 -0.667) 6.695 8.527 ( -2.718 -0.984 3.359) 4.431 8.541 ( -3.593 -2.453 3.170) 5.383 8.702 ( -0.197 4.768 -4.734) 6.721 8.771 ( -0.193 -1.353 -5.253) 5.428 8.826 ( 0.310 7.048 0.603) 7.081 8.922 ( -3.470 -0.421 2.570) 4.338 9.004 ( 0.062 3.592 -1.084) 3.753 9.027 ( 4.045 -0.022 -2.984) 5.027 9.039 ( 1.260 -3.219 -7.456) 8.219 9.140 ( 2.259 -7.081 2.531) 7.852 9.308 ( 0.835 3.701 1.178) 3.973 9.356 ( -1.886 -1.303 3.162) 3.906 9.508 ( 8.623 3.125 -0.257) 9.175 9.587 ( 8.744 -4.191 1.924) 9.886 9.654 ( 2.414 2.539 1.938) 4.004 9.665 ( 2.111 2.400 -0.298) 3.210 9.825 ( 0.314 1.533 -0.971) 1.842 9.864 ( -5.717 -2.723 -0.484) 6.351 10.088 ( 1.335 1.997 5.477) 5.981 10.142 ( 4.004 -2.536 -0.316) 4.750 10.305 ( 2.776 0.113 0.693) 2.864 10.307 ( 2.114 0.965 0.013) 2.324 10.413 ( -2.292 0.955 -2.857) 3.786 10.446 ( -0.308 -2.812 -2.894) 4.047 10.525 ( 2.106 0.932 -0.272) 2.320 10.553 ( 1.870 -0.852 -2.441) 3.191 10.614 ( -0.578 3.982 -2.393) 4.681 10.653 ( 0.633 0.141 -0.263) 0.699 10.707 ( 2.506 1.429 -2.356) 3.725 10.740 ( 3.675 -2.123 -3.786) 5.687 10.769 ( 2.911 -3.108 -8.489) 9.498 10.800 ( 1.055 -5.026 -1.028) 5.237 10.990 ( 1.447 3.066 2.625) 4.287 11.050 ( 1.970 -2.464 -1.378) 3.442 11.151 ( -1.470 0.824 0.323) 1.716 11.174 ( -0.112 -2.371 1.542) 2.830 11.242 ( 2.371 2.388 0.367) 3.385 11.264 ( -0.470 -1.272 3.244) 3.516 11.378 ( -2.145 -0.917 2.881) 3.707 11.411 ( -1.089 -2.536 4.374) 5.172 11.539 ( 0.452 0.831 -4.059) 4.168 11.560 ( 1.561 -1.597 -2.793) 3.576 11.738 ( 3.548 3.212 1.479) 5.009 11.818 ( 0.257 -4.516 -3.888) 5.965 12.049 ( 2.272 0.713 -5.543) 6.033 12.060 ( 2.001 -0.476 -5.034) 5.438 12.209 ( -1.171 3.933 8.785) 9.696 12.291 ( -1.712 -3.124 6.495) 7.407 12.542 ( 0.567 8.183 0.366) 8.210 12.620 ( -2.332 4.881 -5.579) 7.771 12.663 ( -3.050 -4.506 -1.073) 5.546 12.729 ( 1.220 -5.708 -4.937) 7.645 13.599 ( -0.988 8.726 7.045) 11.258 13.738 ( -1.125 -4.742 3.641) 6.084 13.890 ( -1.683 -1.392 0.220) 2.195 13.950 ( -0.740 -6.250 2.062) 6.623 14.244 ( -1.123 5.105 -6.506) 8.345 14.266 ( 0.689 4.816 0.123) 4.866 14.351 ( -1.518 -3.487 -1.561) 4.111 14.398 ( -0.361 -9.756 -4.564) 10.777 14.993 ( 5.331 4.596 0.563) 7.061 15.040 ( 3.854 -0.166 -1.618) 4.183 15.158 ( 0.777 5.144 5.205) 7.359 15.268 ( 2.147 -5.237 2.348) 6.128 15.724 ( -1.143 4.481 2.743) 5.377 15.794 ( 0.170 -2.113 3.589) 4.168 16.024 ( -1.993 5.667 3.778) 7.097 16.163 ( -0.835 -7.213 -0.557) 7.282 17.747 ( 2.122 6.517 -3.760) 7.817 17.825 ( 4.632 2.576 -2.322) 5.787 17.896 ( 3.451 -4.108 0.784) 5.423 17.950 ( 5.077 -5.602 -0.420) 7.572 18.768 ( 0.545 8.452 1.083) 8.538 18.851 ( 1.828 1.278 0.566) 2.301 19.003 ( 7.094 3.558 -4.166) 8.963 19.056 ( 2.352 -0.118 0.876) 2.513 19.137 ( 1.432 1.804 5.012) 5.515 19.293 ( -2.193 -7.129 4.936) 8.945 19.844 ( 3.314 5.849 -4.472) 8.075 19.948 ( 3.814 -4.404 -3.761) 6.934 20.063 ( -1.329 5.518 -1.390) 5.843 20.158 ( 0.358 -3.114 -1.443) 3.451 20.256 ( -0.440 -0.565 -2.430) 2.533 20.293 ( 2.209 -3.488 -1.337) 4.340 20.888 ( -12.837 0.294 1.311) 12.907 20.935 ( -10.221 -4.990 4.010) 12.061 21.245 ( -4.512 -0.980 0.704) 4.670 21.263 ( -3.262 -2.484 -0.396) 4.119 21.673 ( -4.779 3.542 -0.769) 5.998 21.721 ( -4.679 -1.381 -1.559) 5.122 22.050 ( -2.863 6.755 1.526) 7.493 22.168 ( -4.072 -4.878 -1.873) 6.625 23.261 ( 3.570 1.157 1.216) 3.945 23.270 ( 0.886 0.810 -0.751) 1.416 23.297 ( 3.762 -0.853 0.968) 3.978 23.307 ( 0.865 -1.311 -1.402) 2.105 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 18.497 14.901 8.155) 25.113 2.117 ( 13.467 -1.300 3.661) 14.016 2.186 ( 13.947 9.098 7.750) 18.367 2.290 ( 7.397 -0.860 -0.264) 7.452 2.453 ( -0.803 -0.437 -5.953) 6.023 2.489 ( 5.913 1.280 -6.436) 8.833 2.539 ( -0.117 -9.744 3.144) 10.239 2.677 ( -4.078 -6.884 -3.543) 8.750 2.695 ( 6.851 -2.066 -2.878) 7.713 2.786 ( 4.086 -5.177 -1.053) 6.678 2.877 ( -4.181 1.483 -1.325) 4.630 2.946 ( -4.813 -3.668 -3.950) 7.227 3.031 ( -5.170 4.276 0.978) 6.780 3.120 ( -7.026 -3.195 1.952) 7.961 3.201 ( -0.335 5.682 4.003) 6.958 3.229 ( -1.665 1.530 -0.078) 2.262 3.285 ( -5.024 0.847 -1.835) 5.416 3.417 ( -2.448 -6.799 -5.085) 8.837 3.592 ( -3.862 2.895 -4.454) 6.568 3.599 ( -4.202 0.664 -2.774) 5.079 3.745 ( 9.559 4.543 5.596) 11.972 3.778 ( 3.066 6.559 3.661) 8.113 3.893 ( -0.197 -3.785 0.968) 3.912 3.911 ( 7.294 -4.439 6.362) 10.648 4.074 ( -0.001 4.120 -3.903) 5.675 4.082 ( 0.364 4.942 -2.330) 5.476 4.147 ( 3.477 7.816 -2.108) 8.811 4.197 ( 6.181 4.741 2.510) 8.184 4.225 ( 4.456 2.399 2.111) 5.483 4.304 ( 0.251 1.842 4.826) 5.172 4.338 ( 5.106 -0.899 2.609) 5.804 4.371 ( 3.714 -2.667 1.563) 4.832 4.439 ( 2.262 2.121 0.965) 3.247 4.511 ( 5.963 3.374 2.783) 7.394 4.571 ( 1.921 1.276 2.000) 3.053 4.616 ( 3.034 1.131 1.713) 3.663 4.645 ( 5.820 2.427 0.688) 6.344 4.727 ( 5.112 -3.272 1.660) 6.292 4.759 ( 1.121 -2.888 4.940) 5.831 4.849 ( 5.795 -5.096 2.165) 8.015 4.929 ( 8.797 2.995 -5.406) 10.750 4.979 ( 1.824 1.516 -1.500) 2.806 5.032 ( 2.099 -3.603 -0.889) 4.263 5.088 ( 2.916 -2.712 -2.295) 4.596 5.147 ( -0.221 -1.582 0.793) 1.783 5.220 ( 5.979 -3.069 1.743) 6.943 5.262 ( 8.299 3.743 0.069) 9.105 5.390 ( 5.021 -3.414 2.392) 6.527 5.449 ( 6.137 4.286 2.246) 7.815 5.537 ( 6.713 0.454 -3.151) 7.429 5.737 ( 1.236 1.010 -4.911) 5.164 5.757 ( 2.507 -3.617 -10.571) 11.451 5.862 ( -5.565 -0.769 1.991) 5.960 5.881 ( 0.099 -3.656 -5.843) 6.893 6.008 ( 0.022 -0.972 -11.823) 11.863 6.083 ( 0.229 -6.062 -10.198) 11.866 6.164 ( -1.614 -1.407 -0.252) 2.156 6.235 ( 3.331 -5.329 -0.479) 6.302 6.304 ( 2.572 3.141 0.970) 4.174 6.423 ( -1.302 -5.532 4.645) 7.340 6.471 ( -5.991 6.925 -1.447) 9.270 6.584 ( -6.552 3.477 3.729) 8.302 6.694 ( -7.648 0.419 -5.169) 9.241 6.759 ( -4.593 3.379 4.097) 7.021 6.821 ( -2.579 1.370 2.851) 4.082 6.927 ( -8.638 -10.317 4.000) 14.038 7.056 ( -2.770 3.925 1.074) 4.923 7.112 ( -2.959 -0.411 -0.283) 3.001 7.195 ( -7.360 0.488 -1.205) 7.473 7.206 ( -6.653 -2.496 2.722) 7.609 7.284 ( 1.354 4.337 2.382) 5.130 7.368 ( -3.325 -1.443 4.407) 5.706 7.392 ( -1.181 3.364 4.590) 5.812 7.454 ( -5.042 -1.020 2.041) 5.534 7.609 ( -3.380 -2.668 1.367) 4.518 7.618 ( -6.362 -2.343 0.580) 6.805 7.750 ( -3.078 4.508 2.709) 6.094 7.804 ( -7.003 -0.268 3.038) 7.638 7.885 ( -6.293 5.331 1.173) 8.331 8.016 ( -2.979 -3.899 4.243) 6.487 8.051 ( -5.118 3.208 -1.484) 6.220 8.108 ( -6.409 -0.550 -2.711) 6.981 8.240 ( -8.586 0.602 0.104) 8.608 8.281 ( -8.239 -3.047 0.835) 8.824 8.485 ( -2.408 0.881 -1.135) 2.804 8.499 ( 0.273 0.208 -1.038) 1.093 8.577 ( -5.608 7.338 -1.117) 9.302 8.699 ( -4.249 -3.938 -1.891) 6.094 8.874 ( -2.446 1.728 -2.905) 4.172 8.914 ( 1.004 -1.642 -2.815) 3.411 8.986 ( 0.575 4.536 3.223) 5.594 9.062 ( 3.800 -3.298 -1.093) 5.149 9.149 ( 6.373 -0.896 2.429) 6.878 9.174 ( 4.471 -3.631 1.824) 6.041 9.409 ( 5.876 2.475 -0.190) 6.378 9.421 ( 5.448 0.642 -0.058) 5.486 9.619 ( -0.302 3.305 -2.220) 3.993 9.628 ( -0.576 4.333 -1.478) 4.615 9.675 ( 0.976 0.318 -5.329) 5.427 9.740 ( 4.878 -2.258 -0.246) 5.381 9.824 ( 0.403 0.187 6.237) 6.253 9.846 ( 1.794 -3.959 -0.357) 4.361 10.161 ( 0.884 3.295 6.519) 7.358 10.233 ( 2.084 -4.108 4.061) 6.141 10.299 ( -0.157 2.998 -3.652) 4.728 10.332 ( -2.164 0.783 -0.662) 2.395 10.397 ( 4.239 1.094 -0.908) 4.471 10.423 ( -0.255 -1.931 -0.690) 2.066 10.545 ( 0.352 1.411 -2.781) 3.139 10.568 ( 1.905 -0.691 -0.562) 2.103 10.641 ( 3.888 1.500 -1.549) 4.446 10.681 ( 1.910 -1.821 -1.157) 2.882 10.738 ( 3.643 1.969 -7.463) 8.535 10.778 ( 3.400 -0.998 -2.134) 4.136 10.781 ( 3.427 -0.581 -0.920) 3.595 10.846 ( 1.243 -4.528 0.053) 4.696 11.003 ( -0.743 1.710 -1.106) 2.168 11.048 ( -0.059 -2.466 -2.330) 3.393 11.122 ( -1.474 0.871 0.814) 1.896 11.175 ( -0.866 -3.403 2.518) 4.321 11.250 ( -2.378 1.485 1.179) 3.042 11.281 ( -2.559 -0.222 1.064) 2.780 11.343 ( -0.774 2.471 2.028) 3.289 11.412 ( -1.218 -4.208 3.886) 5.856 11.525 ( 1.780 0.756 -5.854) 6.165 11.596 ( 3.025 -5.712 -2.428) 6.905 11.837 ( 3.625 0.915 2.808) 4.675 11.860 ( 4.350 -1.221 1.640) 4.807 12.058 ( 1.360 1.229 -4.146) 4.533 12.077 ( 3.591 0.296 -5.657) 6.707 12.245 ( -1.481 4.587 7.398) 8.830 12.310 ( -0.659 -0.863 7.183) 7.265 12.488 ( -4.671 3.511 -2.603) 6.396 12.543 ( -0.795 -0.380 -6.489) 6.549 12.656 ( 1.856 1.471 2.934) 3.771 12.727 ( 0.850 -2.800 -2.000) 3.544 13.620 ( -0.951 6.696 4.123) 7.921 13.722 ( -1.969 -3.347 1.848) 4.300 13.865 ( -1.115 -0.906 1.823) 2.321 13.961 ( -0.362 -8.557 3.189) 9.140 14.196 ( -0.446 4.368 -4.376) 6.199 14.257 ( -1.159 4.023 0.333) 4.200 14.330 ( 0.549 -6.001 -1.328) 6.170 14.361 ( -1.448 -8.373 -2.169) 8.770 15.028 ( 0.326 4.770 -4.990) 6.911 15.066 ( 3.187 1.748 -3.467) 5.023 15.245 ( 2.442 5.148 4.238) 7.101 15.363 ( 3.471 -6.608 4.201) 8.565 15.704 ( -1.305 6.139 0.096) 6.277 15.793 ( -1.074 -1.931 -0.517) 2.269 16.022 ( -0.745 5.164 4.249) 6.729 16.146 ( -0.585 -6.143 -0.136) 6.172 17.783 ( 4.112 7.030 -4.711) 9.409 17.889 ( 3.878 -1.969 -4.868) 6.528 17.998 ( 5.048 -1.269 3.367) 6.199 18.050 ( 3.751 -4.793 2.566) 6.606 18.793 ( 1.028 9.728 1.107) 9.844 18.907 ( 2.871 -0.407 0.782) 3.003 19.029 ( 0.235 11.378 -2.600) 11.674 19.186 ( 8.253 -2.815 -3.368) 9.348 19.205 ( 2.553 1.438 3.263) 4.386 19.352 ( 4.388 -10.975 7.384) 13.937 19.889 ( 3.348 3.712 -3.062) 5.862 19.979 ( 0.814 -5.244 -3.695) 6.466 20.040 ( -0.801 -0.481 -0.487) 1.054 20.063 ( -4.878 -2.846 -2.666) 6.245 20.319 ( 6.825 4.417 -0.691) 8.159 20.384 ( 6.272 -1.593 -0.616) 6.500 20.666 ( -9.470 2.737 2.480) 10.165 20.758 ( -9.900 -6.487 3.420) 12.320 21.076 ( -11.083 0.100 -2.308) 11.321 21.104 ( -10.795 -2.557 -3.371) 11.595 21.594 ( -4.353 2.464 2.925) 5.794 21.632 ( -4.383 -1.436 3.039) 5.523 21.974 ( -4.673 4.805 0.066) 6.703 22.052 ( -5.586 -3.101 -2.328) 6.800 23.287 ( 1.535 0.783 -0.502) 1.794 23.303 ( 1.191 -0.846 -0.766) 1.650 23.357 ( 3.419 1.342 0.399) 3.694 23.387 ( 3.864 -1.677 0.692) 4.269 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.537 2.574 6.739) 7.234 2.266 ( 0.159 -2.526 1.671) 3.033 2.394 ( 2.215 2.752 0.568) 3.577 2.436 ( 10.383 1.521 1.527) 10.604 2.487 ( 8.197 3.677 0.846) 9.024 2.584 ( 4.220 3.568 1.730) 5.791 2.611 ( 6.075 -1.848 0.109) 6.351 2.652 ( 1.856 -3.466 -0.703) 3.994 2.756 ( -7.160 2.140 0.354) 7.481 2.823 ( 2.795 -0.346 1.427) 3.157 2.836 ( -4.122 -0.877 -3.316) 5.362 2.875 ( 2.455 -6.088 3.946) 7.659 2.917 ( -1.663 -6.072 2.380) 6.730 2.939 ( -2.369 -4.567 -0.711) 5.194 3.141 ( -7.405 3.832 -1.710) 8.511 3.173 ( -4.565 2.261 0.936) 5.179 3.291 ( 6.028 2.197 -1.211) 6.529 3.380 ( 4.090 -5.173 -4.764) 8.135 3.532 ( 1.162 1.481 -1.821) 2.619 3.560 ( -0.540 -0.480 -0.860) 1.124 3.739 ( -3.863 5.056 -0.541) 6.386 3.819 ( -3.600 -3.065 -1.475) 4.953 3.937 ( 0.481 2.025 -2.330) 3.124 3.996 ( -0.446 -2.577 -7.114) 7.579 4.063 ( -0.323 4.416 0.128) 4.430 4.119 ( 0.151 0.374 -0.160) 0.434 4.198 ( 1.943 4.870 2.547) 5.829 4.222 ( -1.320 2.230 3.076) 4.022 4.318 ( 4.694 4.423 3.395) 7.288 4.373 ( 0.695 -2.980 2.072) 3.695 4.387 ( 1.139 4.100 -1.786) 4.615 4.470 ( 4.362 1.388 0.607) 4.617 4.534 ( 5.161 0.174 2.670) 5.814 4.597 ( 0.632 -0.679 -0.629) 1.121 4.662 ( 2.223 0.816 1.887) 3.028 4.679 ( 3.948 -1.617 -0.499) 4.295 4.702 ( -0.733 6.158 7.756) 9.930 4.815 ( -3.373 0.820 5.793) 6.753 4.866 ( 4.359 -0.726 5.235) 6.851 4.930 ( -2.127 1.843 -3.281) 4.323 4.972 ( 2.010 2.351 -1.633) 3.498 5.021 ( 2.464 -2.283 -0.656) 3.422 5.035 ( 0.240 -5.667 -6.483) 8.614 5.141 ( 5.647 -3.251 0.679) 6.551 5.196 ( 3.826 4.960 7.547) 9.808 5.381 ( -2.690 8.178 -7.360) 11.326 5.411 ( 4.233 -8.609 5.943) 11.286 5.488 ( 7.782 5.936 -1.683) 9.931 5.559 ( 3.726 4.906 2.816) 6.774 5.597 ( 2.582 4.490 -4.337) 6.755 5.706 ( -1.615 -2.739 -0.399) 3.205 5.753 ( 1.700 -4.793 -0.851) 5.157 5.804 ( 3.090 3.676 -5.729) 7.476 5.880 ( 1.163 2.683 1.200) 3.161 5.946 ( 4.718 -2.213 -9.847) 11.141 6.036 ( 0.962 -6.006 -5.317) 8.078 6.143 ( -0.521 -3.539 -7.433) 8.249 6.217 ( -0.002 2.688 -0.461) 2.727 6.280 ( -4.021 -2.569 -1.230) 4.927 6.366 ( -6.352 9.078 0.212) 11.081 6.464 ( 2.964 -8.666 1.874) 9.348 6.568 ( -2.982 -6.924 6.026) 9.651 6.583 ( -0.784 -2.888 0.909) 3.127 6.678 ( -2.822 -4.915 0.962) 5.749 6.831 ( 4.256 1.134 -1.555) 4.671 6.871 ( 1.353 -4.155 3.795) 5.788 7.027 ( -0.356 2.461 -2.811) 3.753 7.049 ( -1.977 -1.032 -1.968) 2.974 7.062 ( -7.235 2.340 4.824) 9.005 7.122 ( -3.409 -3.585 1.041) 5.056 7.274 ( -4.807 2.499 6.256) 8.276 7.307 ( -3.077 0.213 3.570) 4.718 7.383 ( -4.909 2.102 3.218) 6.235 7.407 ( -0.901 -0.962 -1.204) 1.786 7.482 ( -4.385 4.654 -0.692) 6.431 7.570 ( -2.565 -3.858 -0.121) 4.635 7.666 ( -5.418 3.550 0.512) 6.497 7.735 ( -5.451 -2.471 4.145) 7.279 7.781 ( -0.155 5.479 1.640) 5.721 7.897 ( -4.710 -5.087 2.334) 7.315 8.036 ( -0.364 4.203 0.678) 4.273 8.038 ( 0.676 1.260 2.785) 3.131 8.110 ( -4.102 1.825 -0.604) 4.530 8.157 ( -2.694 -5.227 -0.051) 5.880 8.443 ( -1.043 4.046 -0.824) 4.258 8.492 ( -1.605 0.177 2.265) 2.782 8.539 ( 1.796 3.263 -2.501) 4.486 8.621 ( -1.462 -3.322 -2.381) 4.341 8.814 ( -0.004 3.159 -4.315) 5.348 8.873 ( -0.416 -1.698 -4.495) 4.823 9.031 ( 0.702 0.104 1.845) 1.977 9.076 ( -0.596 -4.929 -0.079) 4.966 9.247 ( -0.522 3.597 1.335) 3.872 9.315 ( 3.744 -3.093 2.465) 5.446 9.446 ( 0.903 3.345 -1.732) 3.873 9.484 ( 0.904 -0.946 -1.492) 1.985 9.571 ( -1.359 2.059 -3.676) 4.427 9.609 ( 2.272 -1.398 -4.155) 4.938 9.745 ( 4.518 3.791 1.683) 6.133 9.775 ( -0.374 1.477 -0.167) 1.533 9.864 ( 0.135 -0.521 5.257) 5.285 9.899 ( 3.195 -4.712 1.660) 5.930 10.140 ( -4.080 3.129 -2.709) 5.812 10.207 ( -2.127 -3.385 -2.199) 4.563 10.287 ( -0.654 4.675 0.302) 4.730 10.341 ( -0.283 -2.395 3.022) 3.866 10.421 ( 0.106 2.337 1.835) 2.973 10.480 ( 3.478 -2.638 0.142) 4.368 10.586 ( 4.045 0.449 1.332) 4.282 10.607 ( 2.604 -0.880 -1.434) 3.100 10.683 ( 1.657 -1.575 -2.902) 3.694 10.697 ( 1.907 -2.146 -3.676) 4.664 10.804 ( 3.731 3.331 -0.573) 5.035 10.821 ( 2.327 1.346 1.192) 2.941 10.853 ( 1.520 0.995 0.989) 2.068 10.879 ( 2.637 -0.306 1.219) 2.921 10.959 ( -2.776 -0.336 -0.426) 2.829 11.013 ( -2.208 -5.026 1.388) 5.662 11.106 ( 0.207 5.014 -1.201) 5.160 11.189 ( 1.580 -2.602 -2.234) 3.776 11.196 ( -2.509 3.047 0.823) 4.032 11.238 ( -2.604 -0.875 3.828) 4.712 11.325 ( -1.811 -1.070 -2.602) 3.346 11.355 ( -3.524 -5.243 -3.353) 7.152 11.568 ( 3.506 0.998 1.205) 3.840 11.650 ( 3.384 -6.481 0.072) 7.311 11.893 ( 0.512 1.988 0.169) 2.060 11.936 ( 0.241 -2.312 2.016) 3.077 12.057 ( 1.514 3.593 -3.693) 5.370 12.101 ( 1.409 -0.674 -4.690) 4.944 12.227 ( -2.252 5.602 2.660) 6.598 12.326 ( -3.269 -4.285 4.324) 6.909 12.397 ( -0.905 7.147 -1.883) 7.446 12.525 ( 1.290 -4.484 -4.029) 6.165 12.723 ( 2.408 4.435 3.947) 6.407 12.782 ( 3.872 -0.063 6.231) 7.336 13.616 ( -0.988 5.660 1.684) 5.987 13.702 ( -0.997 -2.483 2.162) 3.440 13.859 ( -1.043 -2.853 1.166) 3.254 13.936 ( -3.635 -9.517 -0.845) 10.223 14.173 ( 0.706 4.052 -1.813) 4.495 14.241 ( -0.596 1.923 -0.277) 2.032 14.322 ( 0.250 -6.081 -0.827) 6.142 14.369 ( 1.843 -6.118 2.301) 6.791 15.019 ( 1.703 6.161 -3.663) 7.367 15.100 ( 2.831 -1.108 -4.263) 5.236 15.271 ( -1.892 5.850 1.538) 6.337 15.398 ( -1.615 -6.935 0.044) 7.120 15.687 ( -0.071 6.159 -1.035) 6.246 15.756 ( -1.299 0.161 -3.117) 3.381 16.040 ( -0.528 4.042 4.258) 5.894 16.140 ( 0.086 -5.164 0.010) 5.165 17.832 ( 3.407 5.840 -4.481) 8.111 17.908 ( 1.320 -1.604 -5.763) 6.126 18.101 ( 1.609 -1.523 4.809) 5.295 18.122 ( 1.917 -3.239 4.280) 5.699 18.813 ( 0.059 11.639 1.426) 11.726 18.941 ( 0.218 4.390 -1.578) 4.671 19.045 ( 2.481 4.199 1.537) 5.114 19.219 ( 0.037 -7.794 -0.940) 7.851 19.341 ( 4.743 2.127 2.526) 5.780 19.474 ( 2.201 -10.786 4.431) 11.866 19.927 ( 2.065 -0.652 -1.828) 2.834 19.960 ( 3.302 -3.024 -2.450) 5.104 19.994 ( -0.095 3.045 0.873) 3.169 20.061 ( 0.655 -3.044 0.472) 3.149 20.419 ( -2.555 3.954 -1.204) 4.859 20.443 ( 0.476 1.589 -0.949) 1.911 20.610 ( 0.811 0.251 -1.088) 1.380 20.641 ( 2.552 -2.670 -0.057) 3.694 20.837 ( -9.919 -1.294 -2.749) 10.374 20.850 ( -10.467 -2.232 -6.049) 12.293 21.547 ( -2.264 2.795 4.732) 5.944 21.595 ( -2.300 -2.130 6.409) 7.134 21.893 ( -2.598 3.765 -2.201) 5.076 21.954 ( -1.967 -2.734 -2.799) 4.379 23.317 ( 1.160 0.198 0.547) 1.298 23.323 ( 1.092 -0.401 0.301) 1.202 23.403 ( 1.010 1.661 -0.246) 1.959 23.438 ( 0.995 -1.859 -0.430) 2.152 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -14.164 7.125 3.509) 16.239 2.197 ( -10.978 -1.612 1.629) 11.214 2.304 ( -10.315 2.930 -0.058) 10.723 2.435 ( -6.931 -4.804 2.891) 8.915 2.552 ( -4.867 0.506 0.623) 4.933 2.605 ( -5.792 -4.782 -1.359) 7.633 2.617 ( 1.772 0.500 -0.568) 1.927 2.683 ( -2.665 -3.618 0.697) 4.547 2.751 ( -0.090 1.758 -1.170) 2.114 2.807 ( 6.114 -4.278 2.239) 7.791 2.884 ( 8.934 4.672 4.345) 10.978 2.972 ( 2.084 -0.630 2.569) 3.367 3.010 ( 4.123 2.537 -1.753) 5.148 3.093 ( 9.905 6.100 0.817) 11.661 3.124 ( 8.763 -5.722 5.250) 11.709 3.210 ( 8.188 -1.562 3.726) 9.130 3.367 ( 0.099 3.623 1.353) 3.869 3.444 ( 1.452 -5.731 -2.190) 6.305 3.554 ( 3.641 1.569 0.540) 4.001 3.568 ( 4.425 -0.775 -0.777) 4.559 3.665 ( -3.045 0.651 -8.533) 9.084 3.712 ( -4.906 -4.511 -7.618) 10.121 3.855 ( -7.293 2.167 -3.138) 8.230 3.876 ( -6.752 2.572 0.233) 7.229 4.023 ( -0.088 2.701 -3.205) 4.193 4.069 ( -0.428 -2.271 -5.306) 5.788 4.186 ( -6.879 7.680 2.408) 10.588 4.257 ( -0.154 -0.590 3.789) 3.838 4.352 ( -2.426 5.619 1.619) 6.331 4.366 ( -0.600 4.348 3.511) 5.620 4.431 ( 1.136 0.760 1.758) 2.226 4.470 ( -3.653 3.582 3.163) 6.015 4.537 ( -5.193 -0.422 -2.048) 5.598 4.576 ( -2.883 0.511 -4.867) 5.680 4.629 ( -9.401 0.124 4.502) 10.424 4.674 ( -7.794 -2.268 2.791) 8.584 4.724 ( -1.603 1.832 5.036) 5.594 4.774 ( 0.049 -2.195 4.367) 4.888 4.850 ( -3.822 -0.173 2.326) 4.477 4.913 ( -1.630 0.903 -3.317) 3.804 4.933 ( -5.550 5.823 0.598) 8.066 4.967 ( 4.742 4.372 -3.720) 7.446 5.115 ( 1.414 -3.207 -1.736) 3.911 5.171 ( -4.490 -9.983 4.378) 11.789 5.229 ( -1.844 2.448 -3.916) 4.973 5.238 ( -1.384 -0.038 -3.817) 4.061 5.342 ( -6.542 0.065 -2.460) 6.989 5.464 ( -7.973 -10.588 4.349) 13.949 5.625 ( -2.926 7.277 1.632) 8.011 5.642 ( -0.087 2.914 -0.453) 2.950 5.730 ( 0.519 2.097 -4.321) 4.831 5.803 ( 1.889 5.829 -3.050) 6.845 5.901 ( 6.332 1.345 1.365) 6.616 5.957 ( 2.017 -2.906 2.866) 4.553 6.011 ( 6.440 0.048 -5.524) 8.485 6.065 ( 3.193 3.181 -0.615) 4.549 6.165 ( 0.580 -2.252 -2.176) 3.185 6.204 ( 7.822 -2.555 0.747) 8.263 6.270 ( -2.295 1.330 -1.916) 3.273 6.321 ( 4.311 3.253 1.978) 5.751 6.441 ( 0.650 -5.292 0.762) 5.386 6.557 ( 4.098 -7.776 -3.561) 9.484 6.682 ( 4.962 -0.083 2.194) 5.426 6.737 ( 7.120 -5.476 3.836) 9.767 6.877 ( -2.145 1.019 -4.113) 4.750 6.908 ( 3.167 -1.840 -1.348) 3.903 6.944 ( -6.039 1.421 -1.217) 6.322 6.962 ( -4.280 -0.664 -2.152) 4.836 7.054 ( 4.761 3.168 1.040) 5.812 7.162 ( 5.524 -6.604 -0.119) 8.611 7.249 ( -2.455 2.732 10.672) 11.287 7.311 ( -1.400 -2.925 8.103) 8.727 7.341 ( 1.732 4.070 1.672) 4.729 7.402 ( -2.070 2.434 -1.820) 3.677 7.423 ( 3.405 -2.608 2.044) 4.751 7.448 ( -4.554 -1.451 -4.058) 6.270 7.655 ( 2.131 1.908 -1.954) 3.464 7.696 ( 0.986 -1.888 0.529) 2.195 7.850 ( 3.128 4.249 3.766) 6.482 7.918 ( 3.129 -2.803 2.370) 4.823 8.066 ( 2.257 0.887 -0.631) 2.506 8.085 ( 3.608 1.068 2.572) 4.558 8.120 ( 4.115 4.098 2.457) 6.306 8.191 ( 3.667 -2.800 4.237) 6.264 8.429 ( 0.670 4.998 -1.760) 5.341 8.497 ( 0.918 -1.675 0.722) 2.042 8.573 ( 4.382 3.512 -1.788) 5.894 8.633 ( 3.661 -1.674 -2.505) 4.741 8.832 ( 3.759 3.272 -3.354) 6.007 8.876 ( 3.228 0.430 -3.592) 4.848 9.021 ( -2.442 -3.583 0.238) 4.343 9.037 ( -3.964 -4.303 1.004) 5.936 9.171 ( -4.442 3.478 -0.838) 5.703 9.263 ( -5.974 -5.304 0.285) 7.994 9.480 ( -1.028 5.691 -1.803) 6.058 9.517 ( -0.213 2.317 -1.388) 2.709 9.524 ( 0.325 -0.014 -0.408) 0.522 9.600 ( 1.154 -4.525 -3.633) 5.917 9.727 ( -3.854 2.740 -0.353) 4.741 9.764 ( -4.223 -0.660 -0.595) 4.315 9.940 ( 1.243 2.156 4.842) 5.444 9.959 ( 1.657 -0.050 3.677) 4.033 10.051 ( -0.841 2.593 -5.698) 6.317 10.161 ( -0.932 -7.608 0.395) 7.675 10.276 ( -0.415 3.877 0.003) 3.899 10.333 ( -0.603 -2.347 1.285) 2.743 10.455 ( 1.228 3.781 2.387) 4.637 10.515 ( 0.193 -1.283 -0.513) 1.395 10.638 ( 0.981 1.456 -1.949) 2.623 10.664 ( 1.100 -1.200 1.193) 2.019 10.685 ( -1.965 -1.743 0.524) 2.679 10.705 ( 1.303 -4.222 1.465) 4.655 10.790 ( -2.208 3.736 -3.230) 5.410 10.845 ( -3.402 -1.744 0.455) 3.850 10.874 ( 2.119 1.664 1.412) 3.042 10.893 ( 0.728 0.258 0.801) 1.113 11.004 ( 4.669 2.302 2.603) 5.820 11.028 ( 1.301 -1.412 0.504) 1.985 11.090 ( -1.979 4.306 -2.317) 5.275 11.156 ( -1.646 2.541 0.379) 3.051 11.195 ( 1.008 -3.447 -1.554) 3.913 11.219 ( -1.498 -1.114 3.436) 3.910 11.254 ( -1.631 -3.300 -7.414) 8.278 11.306 ( 0.712 -5.499 -1.792) 5.827 11.658 ( 3.168 1.214 5.194) 6.204 11.732 ( 3.307 -5.650 3.848) 7.594 11.840 ( -3.858 0.447 -4.207) 5.726 11.852 ( -6.645 -0.319 -3.783) 7.653 12.070 ( 0.223 1.839 -2.132) 2.824 12.082 ( -0.248 0.877 -2.958) 3.095 12.229 ( 0.591 3.353 2.810) 4.414 12.295 ( -1.313 -3.455 4.057) 5.488 12.402 ( 2.109 6.827 -2.718) 7.645 12.530 ( 1.913 -5.638 -3.161) 6.741 12.811 ( 1.897 8.125 7.756) 11.392 12.893 ( 2.309 -0.097 5.731) 6.179 13.592 ( -3.117 5.831 1.867) 6.871 13.707 ( -1.113 -4.204 2.234) 4.889 13.844 ( -1.787 -6.361 -1.058) 6.691 13.855 ( 0.715 -7.516 -0.777) 7.590 14.194 ( 1.321 3.328 -0.768) 3.662 14.235 ( 1.121 1.562 -2.278) 2.981 14.351 ( 1.768 -1.782 3.177) 4.049 14.422 ( 2.037 -7.067 0.984) 7.420 15.039 ( 1.620 5.372 -2.793) 6.267 15.100 ( -0.854 0.276 -6.428) 6.491 15.215 ( -3.385 2.433 2.086) 4.661 15.312 ( -5.127 -6.713 -2.722) 8.874 15.687 ( 0.283 4.726 -0.543) 4.765 15.709 ( -1.170 2.923 -3.391) 4.628 16.041 ( -1.779 4.644 3.428) 6.040 16.152 ( 0.871 -5.955 0.415) 6.032 17.842 ( -0.233 3.819 -4.095) 5.605 17.875 ( -0.461 0.671 -5.115) 5.179 18.107 ( -3.374 -0.197 4.555) 5.672 18.167 ( -0.984 -4.992 4.061) 6.510 18.812 ( -1.067 12.588 1.560) 12.729 18.916 ( -1.134 6.264 -1.738) 6.598 19.103 ( -0.245 -4.132 2.173) 4.675 19.184 ( -1.395 -8.551 -1.265) 8.756 19.385 ( -2.668 1.302 3.635) 4.693 19.466 ( -4.434 -6.336 3.705) 8.576 20.002 ( 3.849 3.067 0.472) 4.944 20.035 ( 0.552 0.281 -2.433) 2.510 20.045 ( 4.324 2.823 4.543) 6.878 20.126 ( 7.629 -4.876 4.723) 10.212 20.313 ( -1.804 3.081 -6.055) 7.029 20.365 ( -1.204 -1.511 -6.734) 7.006 20.503 ( -10.893 1.328 -2.050) 11.164 20.581 ( -10.094 -5.422 -1.833) 11.604 20.820 ( 11.140 2.434 -3.370) 11.891 20.870 ( 11.225 -2.278 -3.209) 11.895 21.579 ( 2.075 2.959 5.914) 6.931 21.631 ( 1.863 -2.292 6.820) 7.432 21.858 ( 1.106 5.395 -3.668) 6.617 21.949 ( 2.972 -3.915 -3.122) 5.823 23.330 ( -0.316 0.653 1.017) 1.249 23.343 ( -0.096 -0.659 0.885) 1.108 23.394 ( -1.407 1.046 -0.369) 1.792 23.419 ( -2.189 -1.490 -1.268) 2.936 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -19.720 16.253 2.794) 25.707 1.888 ( -17.720 14.491 1.285) 22.927 2.107 ( -12.252 -8.587 -0.591) 14.973 2.283 ( -10.431 -12.340 1.435) 16.221 2.409 ( -4.235 1.530 -2.127) 4.980 2.500 ( -4.975 -10.533 -1.695) 11.771 2.648 ( -1.371 3.524 -2.184) 4.366 2.665 ( -5.053 9.502 2.088) 10.963 2.710 ( 4.202 -1.414 -3.200) 5.468 2.863 ( -0.418 -8.152 2.839) 8.643 2.972 ( -6.029 10.763 -0.854) 12.366 3.052 ( 4.477 2.459 0.701) 5.156 3.077 ( 2.868 -0.413 2.347) 3.729 3.180 ( -0.353 -4.549 1.063) 4.685 3.291 ( -0.908 3.200 2.906) 4.417 3.371 ( 3.354 -0.690 8.638) 9.292 3.433 ( 3.335 3.057 -4.063) 6.081 3.467 ( -1.600 0.154 -1.676) 2.322 3.494 ( -5.561 -2.545 -6.426) 8.871 3.552 ( 9.192 -3.287 0.526) 9.776 3.662 ( 0.553 3.279 -0.127) 3.328 3.677 ( -2.803 3.210 -0.162) 4.265 3.750 ( 6.693 -2.046 1.145) 7.092 3.848 ( 1.597 -4.361 -2.237) 5.155 3.958 ( -5.755 3.148 -2.688) 7.089 3.997 ( -2.244 6.589 1.997) 7.242 4.084 ( 0.489 0.433 -0.610) 0.894 4.261 ( -0.137 -7.675 -0.138) 7.677 4.317 ( -5.356 6.242 -0.692) 8.254 4.347 ( -7.234 3.164 -4.265) 8.974 4.366 ( -4.627 3.289 1.597) 5.897 4.411 ( -1.451 8.195 4.158) 9.304 4.436 ( -7.447 -4.062 4.692) 9.693 4.467 ( -1.161 0.423 0.231) 1.257 4.497 ( -3.858 -0.810 -1.269) 4.141 4.544 ( -4.147 -3.801 2.403) 6.117 4.690 ( -6.017 -2.725 2.451) 7.046 4.757 ( -0.862 -4.083 -0.935) 4.277 4.794 ( -3.859 3.976 1.714) 5.800 4.827 ( -6.192 7.079 3.838) 10.158 4.871 ( -3.664 1.048 2.016) 4.312 4.956 ( -5.792 -1.194 -4.261) 7.289 5.039 ( -6.004 -3.732 2.129) 7.383 5.084 ( -1.382 -0.728 -2.695) 3.115 5.172 ( -4.794 -5.572 0.853) 7.400 5.181 ( -5.324 -7.005 1.153) 8.874 5.275 ( 1.308 2.878 -2.884) 4.279 5.402 ( -0.509 -7.590 1.899) 7.840 5.527 ( -9.210 7.263 -0.298) 11.733 5.579 ( -1.778 1.864 -4.879) 5.517 5.656 ( -6.032 3.170 -0.427) 6.828 5.711 ( -6.640 -2.288 -1.650) 7.215 5.907 ( 0.295 4.178 -4.463) 6.121 5.972 ( 2.871 5.835 -3.114) 7.211 6.059 ( -0.264 -3.708 -3.724) 5.262 6.124 ( -1.465 -5.629 2.047) 6.166 6.243 ( 2.699 1.395 -0.477) 3.076 6.265 ( 3.618 -1.054 3.704) 5.284 6.379 ( 10.063 4.827 1.202) 11.226 6.436 ( 10.309 -2.596 2.689) 10.965 6.576 ( 4.578 -3.176 -3.197) 6.424 6.589 ( 1.665 -5.931 -3.521) 7.096 6.739 ( -1.167 -0.091 -2.308) 2.588 6.762 ( -3.721 -2.467 -2.880) 5.313 6.853 ( 0.958 4.235 -0.476) 4.368 6.912 ( 1.242 -0.292 -4.251) 4.439 6.992 ( 7.689 1.257 4.523) 9.009 7.037 ( 12.349 -2.940 5.912) 14.003 7.180 ( 5.864 4.598 -0.728) 7.487 7.242 ( 3.851 -2.776 -3.144) 5.694 7.315 ( 3.304 3.538 6.907) 8.435 7.362 ( -1.868 1.557 0.530) 2.489 7.369 ( 2.920 0.673 1.633) 3.412 7.421 ( 3.897 -4.845 5.908) 8.577 7.453 ( 4.632 1.376 3.514) 5.975 7.505 ( 1.775 -2.588 1.830) 3.632 7.682 ( 2.537 4.200 -1.351) 5.090 7.807 ( 8.203 -7.898 1.581) 11.496 7.937 ( 4.068 4.842 1.397) 6.476 7.972 ( 1.563 0.279 -1.560) 2.226 8.108 ( 2.746 1.907 1.009) 3.492 8.179 ( 2.510 -0.940 2.451) 3.632 8.247 ( 5.338 2.063 0.746) 5.771 8.309 ( 6.244 -1.871 3.807) 7.549 8.474 ( 5.194 5.623 -1.829) 7.870 8.542 ( 3.839 -1.999 0.307) 4.339 8.672 ( 4.578 4.266 -0.782) 6.306 8.725 ( 7.161 1.188 -1.903) 7.504 8.864 ( -0.065 2.961 -2.052) 3.603 8.922 ( -2.121 2.792 3.915) 5.256 8.953 ( 1.568 -2.220 -1.769) 3.243 9.002 ( 1.756 -6.247 -3.365) 7.309 9.115 ( -1.897 -0.088 0.610) 1.995 9.164 ( -4.374 -3.845 0.444) 5.841 9.382 ( -6.223 1.508 -0.641) 6.435 9.399 ( -7.741 0.042 -1.154) 7.826 9.538 ( -3.953 5.321 -1.382) 6.771 9.607 ( -4.606 2.310 -1.433) 5.348 9.619 ( -2.304 -2.103 -1.251) 3.361 9.656 ( -1.409 -2.300 -0.992) 2.874 9.941 ( 0.862 4.415 -1.948) 4.902 10.009 ( -0.899 3.814 5.419) 6.687 10.047 ( 2.843 -3.298 -4.822) 6.497 10.159 ( -2.784 -8.716 5.890) 10.881 10.285 ( 0.741 3.207 0.788) 3.385 10.351 ( 0.961 -3.409 2.016) 4.075 10.464 ( -1.857 2.657 -0.565) 3.290 10.476 ( -2.937 0.834 -0.069) 3.054 10.592 ( -2.517 1.605 -1.452) 3.320 10.653 ( -1.668 -1.533 -2.817) 3.615 10.654 ( -4.153 -3.430 -0.751) 5.438 10.665 ( -1.422 -1.897 -1.818) 2.988 10.783 ( 1.018 3.319 2.768) 4.440 10.814 ( -3.714 2.982 0.855) 4.839 10.886 ( -0.442 -0.418 -1.282) 1.419 10.916 ( 1.706 0.864 0.105) 1.916 10.974 ( -2.217 0.420 -3.880) 4.488 11.040 ( -2.915 -4.409 -1.849) 5.600 11.116 ( 3.316 1.230 1.938) 4.032 11.133 ( 0.736 -0.389 -1.480) 1.698 11.181 ( 0.254 -2.261 -7.119) 7.474 11.207 ( 0.517 -3.622 2.141) 4.239 11.274 ( 1.759 0.676 4.106) 4.517 11.323 ( 1.477 -3.877 -0.058) 4.149 11.659 ( -6.050 1.787 -1.206) 6.423 11.685 ( -5.658 -0.652 -1.542) 5.900 11.776 ( 2.023 3.297 2.763) 4.754 11.876 ( 5.124 -6.819 3.263) 9.132 12.029 ( -1.964 1.888 -2.825) 3.924 12.052 ( -0.500 -0.949 -4.574) 4.698 12.263 ( 0.345 1.588 3.550) 3.904 12.298 ( -2.017 -2.133 3.750) 4.762 12.441 ( 3.291 7.241 -2.399) 8.308 12.567 ( 3.160 -4.931 -1.769) 6.118 12.857 ( -1.532 6.298 4.207) 7.727 12.919 ( -1.989 -0.055 1.631) 2.573 13.544 ( -2.482 4.533 4.272) 6.705 13.666 ( -1.969 -6.985 0.633) 7.285 13.871 ( 2.905 -3.477 1.606) 4.807 13.904 ( 2.460 -5.452 2.114) 6.344 14.192 ( 0.426 5.612 -3.488) 6.621 14.265 ( 3.158 -0.176 -2.626) 4.111 14.425 ( 3.194 -1.395 4.160) 5.427 14.451 ( 1.262 -4.661 -1.857) 5.174 14.942 ( -7.114 4.432 -8.965) 12.273 15.015 ( -4.259 -3.398 -6.109) 8.186 15.181 ( -1.717 2.563 4.820) 5.723 15.256 ( -0.430 -4.408 3.093) 5.402 15.666 ( -0.784 4.397 -1.090) 4.597 15.697 ( 0.243 1.331 -0.431) 1.420 16.025 ( -1.367 7.263 2.645) 7.850 16.173 ( 0.813 -7.330 0.698) 7.408 17.779 ( -2.489 4.154 -4.235) 6.433 17.833 ( -1.473 0.553 -3.452) 3.794 18.038 ( -5.830 0.131 2.979) 6.548 18.125 ( -5.261 -6.514 2.164) 8.648 18.794 ( -1.719 11.679 1.791) 11.940 18.888 ( -0.441 5.480 -1.792) 5.782 19.040 ( -4.608 -5.175 0.096) 6.929 19.126 ( -5.762 -9.329 -3.087) 11.391 19.339 ( -4.438 -0.667 7.229) 8.509 19.383 ( -6.059 -3.930 5.361) 8.994 19.966 ( -4.210 4.736 -2.574) 6.839 20.019 ( -2.090 -0.687 -0.518) 2.260 20.182 ( 3.087 1.722 1.360) 3.787 20.199 ( 0.568 -0.321 -1.739) 1.857 20.283 ( -3.684 3.102 -4.720) 6.743 20.335 ( -3.488 -1.021 -3.354) 4.946 20.458 ( 9.848 3.371 -0.352) 10.415 20.550 ( 16.292 -6.088 2.031) 17.511 21.016 ( 10.162 2.095 -2.360) 10.641 21.079 ( 10.267 -4.082 -2.186) 11.263 21.687 ( 4.560 3.372 5.680) 8.027 21.739 ( 4.463 -2.028 5.526) 7.387 21.884 ( 3.786 8.011 -3.913) 9.686 22.014 ( 5.502 -5.171 -3.716) 8.416 23.306 ( -3.109 0.407 -0.529) 3.180 23.313 ( -2.615 -0.156 -0.302) 2.637 23.353 ( -3.021 0.244 -0.285) 3.044 23.369 ( -1.369 -1.112 1.066) 2.061 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -12.511 24.444 4.892) 27.892 1.558 ( -17.351 25.917 5.202) 31.620 1.870 ( -8.856 -16.477 1.289) 18.751 2.064 ( -10.732 -21.579 0.815) 24.114 2.330 ( -5.070 -0.833 -2.800) 5.852 2.380 ( -3.216 -4.851 0.363) 5.831 2.569 ( -3.074 29.742 8.600) 31.112 2.674 ( -2.166 6.445 -11.093) 13.011 2.719 ( 3.699 0.464 -3.207) 4.917 2.814 ( -1.420 -1.791 -0.365) 2.315 2.908 ( -0.213 0.937 0.390) 1.037 3.070 ( -0.385 3.556 -0.720) 3.648 3.110 ( -4.056 -2.919 -3.072) 5.866 3.158 ( 0.105 6.180 0.305) 6.189 3.233 ( 0.198 -9.692 5.126) 10.965 3.357 ( -4.898 5.059 3.890) 8.045 3.369 ( -0.294 -4.772 -2.082) 5.215 3.428 ( -6.241 -2.739 7.343) 10.019 3.537 ( -8.308 -2.865 5.354) 10.291 3.635 ( 2.789 -3.436 3.774) 5.817 3.714 ( 7.700 9.648 1.962) 12.499 3.732 ( 5.670 3.046 -3.932) 7.543 3.820 ( 1.797 -3.124 -5.801) 6.829 3.873 ( 4.215 -4.196 -3.195) 6.751 3.947 ( 5.588 3.471 -2.266) 6.958 4.043 ( 2.389 1.449 3.289) 4.316 4.137 ( -2.027 3.689 -3.679) 5.590 4.191 ( 1.989 3.560 0.088) 4.079 4.228 ( -3.426 -10.746 1.145) 11.337 4.257 ( -2.347 -7.568 -1.300) 8.030 4.308 ( -2.510 3.880 -3.668) 5.900 4.353 ( -4.814 -1.741 -0.670) 5.163 4.364 ( 1.128 -4.299 -0.750) 4.507 4.414 ( -5.344 -4.539 -1.215) 7.116 4.440 ( -1.979 6.309 4.588) 8.048 4.520 ( -0.626 1.115 2.983) 3.245 4.573 ( -7.519 4.602 1.479) 8.939 4.676 ( -3.339 1.273 -0.835) 3.670 4.722 ( -3.156 2.983 3.419) 5.527 4.776 ( -3.023 1.366 -1.871) 3.809 4.812 ( -3.117 -0.450 4.298) 5.328 4.849 ( -5.357 -3.681 1.661) 6.708 4.972 ( -1.497 3.140 -0.333) 3.495 5.036 ( -7.728 -4.610 2.513) 9.343 5.067 ( -0.208 -6.257 1.790) 6.511 5.160 ( 3.765 -5.375 1.150) 6.662 5.232 ( -2.498 4.579 -3.783) 6.444 5.338 ( -3.770 0.096 -3.174) 4.929 5.375 ( -6.776 3.018 -3.035) 8.015 5.494 ( -4.374 -4.023 -6.767) 9.006 5.534 ( -4.377 2.760 0.656) 5.216 5.587 ( -5.235 -2.153 2.084) 6.032 5.935 ( 5.067 5.272 -4.428) 8.549 6.003 ( 0.708 2.556 -0.240) 2.663 6.047 ( -2.261 -6.333 -2.422) 7.147 6.097 ( 5.793 -3.156 -4.367) 7.911 6.336 ( 4.120 3.732 -2.375) 6.045 6.387 ( 3.988 -0.533 -1.997) 4.491 6.496 ( 4.091 1.659 1.938) 4.821 6.547 ( 2.645 -2.053 0.160) 3.352 6.638 ( -3.746 -1.708 2.318) 4.725 6.655 ( 1.981 -1.637 2.983) 3.937 6.677 ( 4.927 -3.068 -3.404) 6.728 6.714 ( -0.406 -6.699 0.562) 6.734 6.878 ( 0.285 0.587 -0.934) 1.140 6.914 ( 1.021 -1.094 -2.983) 3.338 7.143 ( 3.644 8.009 4.162) 9.734 7.223 ( 3.158 1.028 1.656) 3.711 7.282 ( 4.057 5.488 -0.411) 6.838 7.298 ( 2.782 4.950 -2.395) 6.162 7.351 ( 2.301 -0.944 -2.013) 3.199 7.399 ( 3.146 -1.116 1.317) 3.589 7.463 ( 2.953 1.025 6.165) 6.913 7.498 ( -0.012 -1.853 0.085) 1.855 7.548 ( 2.613 -3.556 3.173) 5.435 7.600 ( 4.908 -6.045 8.231) 11.331 7.752 ( 2.919 6.114 4.185) 7.963 7.892 ( -2.416 -4.784 3.157) 6.220 7.995 ( 2.818 1.561 -2.187) 3.894 8.030 ( 5.273 1.354 0.248) 5.449 8.187 ( -1.100 5.085 1.025) 5.303 8.228 ( 7.648 1.170 3.920) 8.674 8.346 ( 4.666 -1.219 -1.617) 5.086 8.435 ( 4.318 -6.414 1.815) 7.942 8.563 ( 1.555 2.868 1.264) 3.499 8.620 ( -0.631 -0.772 0.867) 1.322 8.708 ( 1.573 7.575 0.968) 7.797 8.817 ( 0.281 -1.893 -1.327) 2.329 8.875 ( 3.408 6.503 -3.197) 8.008 8.905 ( -1.944 -0.034 -1.065) 2.217 8.925 ( -0.868 -0.684 2.015) 2.298 9.037 ( 2.566 -7.283 -4.590) 8.983 9.111 ( 1.955 1.279 -1.283) 2.665 9.137 ( 1.375 -1.624 -0.446) 2.174 9.231 ( -5.873 2.347 -2.745) 6.895 9.295 ( -0.764 -2.313 -2.135) 3.239 9.442 ( -3.794 2.490 3.793) 5.914 9.475 ( -4.286 -0.575 2.306) 4.901 9.603 ( -1.791 3.590 1.090) 4.157 9.656 ( -1.387 -1.188 0.471) 1.886 9.950 ( -2.266 5.571 0.656) 6.050 10.002 ( 1.311 2.668 -0.197) 2.979 10.082 ( 2.066 -6.788 -2.632) 7.568 10.107 ( -5.676 -8.012 4.745) 10.905 10.257 ( -3.293 2.373 -1.194) 4.231 10.341 ( -4.620 -6.043 -0.313) 7.613 10.427 ( 0.685 1.586 -0.041) 1.728 10.449 ( 1.150 0.049 -2.130) 2.421 10.559 ( -1.102 0.465 0.944) 1.523 10.587 ( -1.156 -0.064 0.331) 1.204 10.602 ( -0.748 0.046 -3.677) 3.752 10.626 ( -1.106 -1.419 -1.820) 2.560 10.688 ( -5.607 6.846 -2.097) 9.094 10.803 ( -1.878 1.723 0.919) 2.710 10.855 ( -3.307 -3.585 -2.178) 5.341 10.906 ( -1.206 -4.793 -2.896) 5.728 10.933 ( -0.713 1.161 -3.172) 3.452 10.961 ( -0.689 -1.378 -1.609) 2.228 11.148 ( 0.300 0.907 -0.469) 1.064 11.167 ( 1.094 -1.075 -1.744) 2.323 11.198 ( 2.580 1.546 2.291) 3.781 11.244 ( 2.687 -2.455 2.318) 4.315 11.309 ( 0.390 -0.546 2.010) 2.119 11.342 ( 0.054 -3.878 -0.795) 3.959 11.574 ( -2.139 2.249 -0.142) 3.107 11.603 ( -1.704 -0.579 -0.247) 1.817 11.800 ( -2.138 6.808 1.425) 7.277 11.944 ( -1.374 -6.089 -1.553) 6.432 12.000 ( 2.692 0.638 -1.912) 3.363 12.034 ( 2.247 -2.489 -5.401) 6.358 12.247 ( -4.315 1.712 3.350) 5.725 12.286 ( -1.019 -1.922 4.498) 4.997 12.484 ( 1.686 7.061 -0.210) 7.263 12.616 ( 2.370 -4.851 -0.372) 5.412 12.810 ( -2.910 3.867 -2.798) 5.590 12.857 ( -3.638 -0.383 -1.493) 3.951 13.560 ( -0.293 5.831 6.873) 9.018 13.671 ( 0.850 -5.677 3.412) 6.677 13.924 ( 0.898 -2.603 1.375) 3.078 13.944 ( 0.615 -3.953 0.838) 4.087 14.194 ( 2.024 6.263 -2.717) 7.120 14.313 ( 3.046 -4.468 -2.483) 5.951 14.429 ( -0.323 3.654 -7.635) 8.471 14.514 ( 2.315 -4.266 -0.940) 4.944 14.774 ( -3.144 5.734 -1.277) 6.663 14.891 ( -3.481 -6.726 -2.023) 7.839 15.197 ( -1.053 3.606 5.319) 6.511 15.273 ( -1.054 -3.567 4.146) 5.570 15.673 ( 1.249 2.637 2.712) 3.983 15.696 ( -0.193 0.126 0.862) 0.892 16.030 ( -0.059 8.222 2.533) 8.604 16.187 ( 0.167 -7.717 0.425) 7.731 17.720 ( -0.705 4.611 -3.047) 5.572 17.784 ( -0.936 0.681 -2.807) 3.036 17.933 ( -5.728 -0.980 0.745) 5.859 18.008 ( -6.362 -5.844 -0.098) 8.639 18.773 ( -1.591 10.258 2.197) 10.610 18.880 ( 1.211 4.822 -3.172) 5.898 18.964 ( -7.246 -1.737 -1.570) 7.615 18.973 ( -2.178 -8.311 1.259) 8.683 19.245 ( -8.033 1.230 7.330) 10.944 19.349 ( -2.546 -7.699 5.128) 9.595 19.876 ( -2.463 5.278 -3.917) 7.020 19.953 ( -2.172 -2.477 -3.734) 4.979 20.130 ( -3.032 0.696 -1.390) 3.407 20.157 ( -2.469 -1.460 -1.524) 3.248 20.280 ( 2.669 1.300 -5.490) 6.241 20.306 ( 1.685 -1.413 -1.834) 2.864 20.781 ( 17.108 8.272 4.304) 19.484 20.916 ( 16.381 -5.751 3.096) 17.635 21.167 ( 5.596 0.718 -1.363) 5.804 21.205 ( 3.710 -3.533 -1.732) 5.408 21.784 ( 1.733 3.471 1.918) 4.328 21.833 ( 1.899 -1.396 0.762) 2.478 21.959 ( 5.250 9.079 -0.125) 10.488 22.111 ( 6.613 -5.997 -3.507) 9.592 23.233 ( -3.359 0.248 -0.125) 3.370 23.246 ( -2.702 -0.893 -0.374) 2.871 23.312 ( -1.739 1.672 0.224) 2.423 23.345 ( -1.513 -1.690 0.280) 2.285 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -3.559 0.000 29.555) 29.768 1.252 ( 2.826 0.000 29.976) 30.109 1.743 ( 4.912 0.000 -25.237) 25.711 1.744 ( 1.422 0.000 -13.916) 13.988 1.935 ( 6.176 0.000 23.952) 24.736 2.281 ( -8.942 0.000 -11.265) 14.383 2.618 ( -3.033 0.000 5.153) 5.980 2.696 ( 4.683 0.000 -3.318) 5.739 2.826 ( 1.887 0.000 8.682) 8.885 2.953 ( 0.994 0.000 2.801) 2.972 2.970 ( -0.171 0.000 -2.220) 2.226 3.032 ( -2.062 0.000 -8.984) 9.217 3.079 ( -1.081 0.000 5.516) 5.621 3.177 ( 1.256 0.000 -3.865) 4.064 3.265 ( 2.143 0.000 6.831) 7.160 3.308 ( -4.096 0.000 8.121) 9.095 3.431 ( -0.476 0.000 -3.650) 3.681 3.489 ( -1.143 0.000 -8.163) 8.243 3.536 ( -0.616 0.000 2.600) 2.672 3.601 ( -7.029 0.000 -6.316) 9.450 3.636 ( 2.288 0.000 -1.585) 2.783 3.647 ( 4.888 0.000 -1.593) 5.141 3.794 ( -5.442 0.000 -1.678) 5.695 3.794 ( 0.838 0.000 -1.759) 1.948 3.876 ( -3.449 0.000 2.119) 4.048 3.923 ( 1.093 0.000 -0.960) 1.455 3.927 ( 7.977 0.000 3.934) 8.895 4.056 ( 7.119 0.000 0.706) 7.154 4.065 ( 3.643 0.000 -10.899) 11.492 4.113 ( -7.069 0.000 -0.985) 7.137 4.257 ( -5.714 0.000 -0.684) 5.755 4.274 ( 2.417 0.000 -1.396) 2.791 4.376 ( 5.616 0.000 1.994) 5.960 4.390 ( -3.305 0.000 0.603) 3.360 4.457 ( -3.913 0.000 -3.886) 5.514 4.473 ( 0.237 0.000 -5.652) 5.657 4.581 ( -11.460 0.000 -0.131) 11.461 4.584 ( 5.734 0.000 1.382) 5.898 4.680 ( 3.743 0.000 4.913) 6.177 4.791 ( 1.419 0.000 -4.175) 4.409 4.928 ( 2.895 0.000 0.912) 3.035 4.960 ( -5.261 0.000 -2.387) 5.777 4.983 ( 1.950 0.000 3.631) 4.122 5.073 ( 5.246 0.000 -4.687) 7.034 5.133 ( -0.928 0.000 2.373) 2.548 5.162 ( -2.682 0.000 -0.294) 2.698 5.338 ( 2.190 0.000 2.020) 2.980 5.349 ( -4.507 0.000 0.586) 4.545 5.409 ( -6.968 0.000 0.093) 6.968 5.413 ( 9.636 0.000 -1.422) 9.740 5.681 ( 2.921 0.000 5.293) 6.046 5.744 ( 3.027 0.000 0.559) 3.078 5.892 ( 0.624 0.000 -1.214) 1.365 5.923 ( -2.926 0.000 -3.383) 4.473 6.149 ( -2.218 0.000 0.339) 2.243 6.178 ( 3.337 0.000 -1.719) 3.754 6.385 ( 5.071 0.000 1.510) 5.291 6.431 ( -6.678 0.000 -0.973) 6.748 6.561 ( -4.981 0.000 3.319) 5.986 6.569 ( 2.713 0.000 5.367) 6.014 6.718 ( 2.177 0.000 3.596) 4.204 6.785 ( -2.855 0.000 0.272) 2.868 6.794 ( -1.555 0.000 -2.056) 2.578 6.841 ( -0.325 0.000 -4.546) 4.558 6.917 ( -0.799 0.000 -1.495) 1.695 6.945 ( -1.548 0.000 -2.000) 2.529 7.030 ( 4.692 0.000 6.966) 8.399 7.148 ( -2.080 0.000 -1.610) 2.630 7.172 ( 1.302 0.000 7.912) 8.019 7.268 ( 3.850 0.000 4.631) 6.023 7.328 ( -2.833 0.000 -6.292) 6.901 7.383 ( 0.994 0.000 -4.304) 4.417 7.433 ( -8.693 0.000 -5.473) 10.273 7.453 ( 1.092 0.000 -2.019) 2.295 7.563 ( 5.590 0.000 2.956) 6.324 7.648 ( -2.522 0.000 -5.097) 5.687 7.829 ( 7.946 0.000 2.973) 8.483 7.898 ( -6.429 0.000 -2.342) 6.842 8.029 ( 2.321 0.000 9.767) 10.039 8.200 ( -0.080 0.000 -6.950) 6.951 8.228 ( -5.879 0.000 14.983) 16.095 8.329 ( -0.443 0.000 3.402) 3.431 8.347 ( 5.689 0.000 -0.541) 5.714 8.450 ( -9.041 0.000 -2.316) 9.333 8.522 ( 3.148 0.000 -2.133) 3.803 8.554 ( 4.167 0.000 -8.078) 9.089 8.672 ( 1.640 0.000 5.669) 5.901 8.777 ( -2.854 0.000 -1.794) 3.371 8.877 ( -10.687 0.000 6.224) 12.368 8.929 ( -4.372 0.000 2.751) 5.165 8.975 ( 12.017 0.000 -1.951) 12.174 9.000 ( 0.162 0.000 -2.739) 2.744 9.033 ( -6.825 0.000 -5.626) 8.845 9.073 ( 11.117 0.000 -4.114) 11.854 9.300 ( -3.530 0.000 5.555) 6.582 9.386 ( 7.533 0.000 -3.460) 8.289 9.461 ( 0.483 0.000 6.681) 6.699 9.519 ( -5.219 0.000 2.996) 6.018 9.544 ( 4.441 0.000 0.585) 4.480 9.569 ( -2.436 0.000 -3.979) 4.665 9.835 ( -13.377 0.000 4.791) 14.209 9.935 ( 2.086 0.000 -4.808) 5.241 10.058 ( -2.884 0.000 -0.596) 2.945 10.100 ( 2.572 0.000 -5.284) 5.877 10.283 ( 2.502 0.000 5.086) 5.668 10.391 ( 2.813 0.000 -5.236) 5.944 10.436 ( -7.660 0.000 1.907) 7.894 10.466 ( 3.733 0.000 1.330) 3.963 10.514 ( -2.604 0.000 1.138) 2.842 10.541 ( 2.993 0.000 -3.864) 4.888 10.549 ( 1.072 0.000 -2.780) 2.979 10.556 ( -1.164 0.000 -3.769) 3.945 10.689 ( 0.005 0.000 -1.738) 1.738 10.696 ( 1.824 0.000 -3.563) 4.003 10.820 ( -0.353 0.000 1.966) 1.997 10.846 ( 1.796 0.000 -0.669) 1.917 10.889 ( -0.332 0.000 1.569) 1.604 10.922 ( 3.041 0.000 -1.150) 3.251 11.115 ( -2.546 0.000 4.122) 4.845 11.204 ( 3.748 0.000 -4.809) 6.097 11.275 ( -2.955 0.000 4.052) 5.015 11.323 ( 3.087 0.000 -1.001) 3.245 11.464 ( 1.488 0.000 3.649) 3.941 11.528 ( -2.896 0.000 -3.049) 4.205 11.543 ( -1.145 0.000 5.214) 5.338 11.628 ( 2.906 0.000 -2.830) 4.057 11.684 ( -3.885 0.000 5.517) 6.748 11.727 ( 3.138 0.000 2.088) 3.769 12.089 ( 2.020 0.000 -3.487) 4.030 12.102 ( -3.380 0.000 -4.415) 5.561 12.240 ( 1.871 0.000 3.627) 4.081 12.288 ( 0.228 0.000 -1.455) 1.473 12.351 ( -5.626 0.000 3.622) 6.691 12.430 ( 2.718 0.000 -3.890) 4.745 12.699 ( -1.805 0.000 0.008) 1.805 12.756 ( 2.302 0.000 -5.493) 5.956 13.590 ( -5.715 0.000 5.773) 8.123 13.674 ( 6.382 0.000 -3.135) 7.110 13.979 ( -1.299 0.000 0.689) 1.470 13.988 ( 0.285 0.000 -0.351) 0.452 14.192 ( 3.799 0.000 6.011) 7.111 14.289 ( -0.672 0.000 -3.106) 3.178 14.535 ( 1.769 0.000 1.466) 2.297 14.546 ( -1.778 0.000 0.535) 1.857 14.736 ( 2.407 0.000 6.554) 6.982 14.900 ( -0.810 0.000 -9.539) 9.574 15.227 ( -9.016 0.000 1.592) 9.155 15.241 ( 6.917 0.000 0.044) 6.918 15.662 ( -1.231 0.000 1.348) 1.826 15.683 ( 0.648 0.000 -1.032) 1.219 16.313 ( 3.885 0.000 1.249) 4.080 16.331 ( -2.509 0.000 -0.694) 2.604 17.574 ( -3.967 0.000 2.384) 4.628 17.618 ( 4.496 0.000 -2.042) 4.938 17.988 ( -4.560 0.000 -0.132) 4.562 18.005 ( 0.355 0.000 -1.809) 1.843 18.495 ( 0.226 0.000 2.026) 2.039 18.523 ( -1.576 0.000 -0.630) 1.697 18.864 ( -1.775 0.000 5.291) 5.581 19.003 ( 2.029 0.000 -8.824) 9.054 19.276 ( -8.338 0.000 5.117) 9.783 19.344 ( 7.676 0.000 -2.218) 7.990 19.683 ( 2.793 0.000 3.758) 4.683 19.743 ( -4.282 0.000 -1.967) 4.712 20.112 ( -1.224 0.000 0.352) 1.274 20.122 ( 2.076 0.000 -0.911) 2.267 20.377 ( 1.335 0.000 1.257) 1.834 20.408 ( -1.143 0.000 -1.842) 2.168 21.165 ( -7.467 0.000 2.749) 7.957 21.209 ( 11.622 0.000 -1.646) 11.738 21.392 ( 3.446 0.000 6.777) 7.603 21.521 ( -8.154 0.000 -5.938) 10.087 21.539 ( 2.699 0.000 2.425) 3.628 21.618 ( 3.169 0.000 -6.646) 7.363 22.088 ( 0.710 0.000 2.461) 2.561 22.122 ( 1.291 0.000 -1.214) 1.772 23.204 ( -0.052 0.000 1.352) 1.353 23.229 ( -0.712 0.000 -1.237) 1.427 23.291 ( 1.396 0.000 1.929) 2.381 23.327 ( -1.369 0.000 -1.828) 2.283 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 9.200 0.000 17.798) 20.035 1.601 ( 11.180 0.000 13.377) 17.433 1.670 ( 8.824 0.000 -15.298) 17.661 1.739 ( 11.099 0.000 -18.701) 21.747 2.270 ( 13.734 0.000 -8.423) 16.111 2.424 ( 19.434 0.000 12.643) 23.185 2.564 ( -2.741 0.000 2.138) 3.476 2.722 ( -0.026 0.000 -4.470) 4.470 2.868 ( -2.811 0.000 6.723) 7.287 2.876 ( -5.791 0.000 -8.995) 10.698 2.981 ( 1.453 0.000 -3.085) 3.410 3.004 ( 1.856 0.000 4.401) 4.776 3.226 ( 9.646 0.000 4.207) 10.523 3.237 ( 0.565 0.000 -0.369) 0.675 3.281 ( 3.271 0.000 -2.076) 3.874 3.320 ( -0.321 0.000 13.409) 13.413 3.430 ( 0.634 0.000 3.254) 3.315 3.457 ( 2.780 0.000 -1.162) 3.014 3.498 ( -5.605 0.000 6.670) 8.712 3.499 ( 0.771 0.000 -3.225) 3.316 3.652 ( -1.155 0.000 -1.243) 1.697 3.684 ( -3.821 0.000 -7.562) 8.473 3.724 ( 1.121 0.000 1.738) 2.068 3.845 ( 10.784 0.000 -1.354) 10.869 3.873 ( 6.039 0.000 0.588) 6.067 3.926 ( -2.521 0.000 -4.052) 4.773 3.954 ( -6.537 0.000 -3.097) 7.234 4.023 ( -13.638 0.000 1.581) 13.730 4.072 ( 1.750 0.000 -1.461) 2.280 4.129 ( 7.405 0.000 -10.627) 12.952 4.211 ( -0.516 0.000 5.418) 5.442 4.281 ( 0.607 0.000 -0.054) 0.609 4.385 ( -1.321 0.000 2.888) 3.175 4.398 ( 6.996 0.000 1.285) 7.113 4.478 ( 3.666 0.000 -0.952) 3.788 4.489 ( 1.414 0.000 -0.376) 1.463 4.526 ( 6.874 0.000 2.247) 7.232 4.684 ( 0.225 0.000 1.769) 1.784 4.746 ( 6.256 0.000 3.942) 7.394 4.805 ( 5.797 0.000 -7.450) 9.439 4.826 ( -9.449 0.000 1.984) 9.655 4.912 ( -1.574 0.000 -3.082) 3.461 5.072 ( 1.645 0.000 -6.133) 6.350 5.138 ( 2.572 0.000 -1.785) 3.131 5.158 ( 1.050 0.000 2.341) 2.566 5.167 ( 4.157 0.000 8.850) 9.778 5.241 ( -5.171 0.000 0.961) 5.259 5.413 ( 5.495 0.000 -3.095) 6.307 5.421 ( 2.737 0.000 1.206) 2.992 5.610 ( 9.621 0.000 -4.184) 10.491 5.701 ( 0.004 0.000 -1.562) 1.562 5.753 ( 2.393 0.000 -7.046) 7.441 5.931 ( 4.611 0.000 0.591) 4.649 5.948 ( 1.990 0.000 2.651) 3.315 6.022 ( -9.151 0.000 -0.250) 9.155 6.168 ( -1.352 0.000 -3.087) 3.370 6.313 ( -4.597 0.000 0.191) 4.601 6.394 ( -7.271 0.000 3.560) 8.096 6.539 ( -11.497 0.000 -2.922) 11.863 6.559 ( -5.645 0.000 7.896) 9.706 6.633 ( -0.078 0.000 -0.556) 0.561 6.717 ( -3.976 0.000 6.007) 7.203 6.736 ( -4.224 0.000 7.687) 8.771 6.782 ( 2.671 0.000 -5.724) 6.317 6.944 ( 0.503 0.000 3.705) 3.739 7.010 ( 5.798 0.000 -1.131) 5.908 7.059 ( -6.290 0.000 -9.072) 11.039 7.074 ( -2.701 0.000 6.227) 6.788 7.167 ( -2.723 0.000 3.635) 4.542 7.271 ( -0.340 0.000 6.978) 6.987 7.298 ( -5.681 0.000 -3.624) 6.739 7.333 ( 0.787 0.000 -1.708) 1.881 7.385 ( 4.104 0.000 -8.084) 9.066 7.424 ( -2.678 0.000 -0.302) 2.695 7.577 ( -5.335 0.000 -0.503) 5.358 7.647 ( -0.876 0.000 2.645) 2.786 7.721 ( -3.539 0.000 -3.825) 5.211 7.975 ( 1.062 0.000 -0.579) 1.210 8.053 ( -8.582 0.000 9.508) 12.809 8.099 ( -2.842 0.000 -5.194) 5.921 8.257 ( -3.065 0.000 12.276) 12.653 8.271 ( -1.983 0.000 -0.467) 2.037 8.271 ( -5.128 0.000 -1.347) 5.302 8.373 ( -3.763 0.000 -2.292) 4.406 8.472 ( -12.692 0.000 -1.006) 12.731 8.647 ( 6.704 0.000 -6.503) 9.340 8.695 ( -10.431 0.000 -5.174) 11.643 8.705 ( -3.097 0.000 10.811) 11.246 8.779 ( -2.459 0.000 2.689) 3.644 8.807 ( 9.519 0.000 -1.681) 9.666 8.932 ( -0.760 0.000 3.735) 3.811 9.011 ( 0.623 0.000 -2.444) 2.522 9.102 ( 4.650 0.000 -0.261) 4.658 9.227 ( -3.184 0.000 -0.562) 3.234 9.252 ( 5.874 0.000 -4.313) 7.287 9.398 ( 0.467 0.000 -4.787) 4.810 9.484 ( -0.787 0.000 1.420) 1.623 9.526 ( 0.160 0.000 7.167) 7.169 9.642 ( 2.078 0.000 -3.098) 3.730 9.693 ( 11.189 0.000 -2.217) 11.406 9.784 ( 3.039 0.000 4.564) 5.483 9.918 ( -1.798 0.000 9.213) 9.387 10.064 ( 3.188 0.000 -2.648) 4.145 10.093 ( 0.812 0.000 -4.626) 4.697 10.242 ( -8.850 0.000 2.122) 9.101 10.351 ( -1.726 0.000 -1.561) 2.328 10.408 ( 5.673 0.000 2.154) 6.068 10.490 ( -2.676 0.000 -1.444) 3.041 10.500 ( 1.324 0.000 -0.983) 1.649 10.542 ( 1.260 0.000 1.871) 2.256 10.567 ( 4.131 0.000 -0.945) 4.238 10.650 ( 0.764 0.000 1.420) 1.612 10.696 ( 1.428 0.000 -4.451) 4.674 10.710 ( 2.737 0.000 1.723) 3.234 10.839 ( 1.393 0.000 -0.742) 1.579 10.866 ( 1.884 0.000 -2.982) 3.527 10.961 ( 6.497 0.000 -3.299) 7.287 10.962 ( 0.891 0.000 -0.898) 1.265 11.146 ( 3.668 0.000 2.472) 4.423 11.208 ( -2.835 0.000 1.115) 3.046 11.311 ( 6.482 0.000 -6.093) 8.896 11.373 ( 0.930 0.000 -1.502) 1.767 11.395 ( -5.370 0.000 1.404) 5.551 11.447 ( -5.021 0.000 1.736) 5.313 11.553 ( 0.060 0.000 2.742) 2.742 11.704 ( 7.172 0.000 -2.659) 7.649 11.722 ( 2.896 0.000 2.489) 3.819 11.814 ( 4.188 0.000 -0.065) 4.189 12.007 ( -4.214 0.000 -1.562) 4.494 12.113 ( 1.061 0.000 1.378) 1.739 12.273 ( -1.557 0.000 1.507) 2.167 12.292 ( 1.707 0.000 -4.168) 4.504 12.293 ( -3.550 0.000 5.646) 6.670 12.482 ( 4.390 0.000 0.704) 4.446 12.651 ( -2.949 0.000 2.154) 3.652 12.742 ( -0.477 0.000 -5.393) 5.414 13.560 ( -1.022 0.000 5.724) 5.815 13.824 ( 9.811 0.000 -5.325) 11.163 13.945 ( -1.755 0.000 -0.300) 1.780 13.982 ( -1.057 0.000 1.058) 1.496 14.204 ( -3.243 0.000 -6.897) 7.621 14.249 ( -0.659 0.000 3.167) 3.235 14.538 ( 0.199 0.000 -1.769) 1.780 14.594 ( 3.114 0.000 1.052) 3.287 14.821 ( -0.846 0.000 -9.800) 9.837 14.839 ( 3.982 0.000 6.212) 7.379 15.112 ( -3.424 0.000 3.238) 4.713 15.394 ( 6.166 0.000 -0.014) 6.166 15.636 ( -1.346 0.000 2.855) 3.157 15.674 ( -1.299 0.000 -1.487) 1.974 16.236 ( -4.880 0.000 -4.084) 6.364 16.302 ( -4.504 0.000 3.884) 5.947 17.548 ( 0.204 0.000 1.321) 1.337 17.716 ( 6.293 0.000 -2.164) 6.655 18.057 ( 8.210 0.000 0.369) 8.218 18.087 ( 6.625 0.000 3.296) 7.400 18.479 ( -2.660 0.000 0.522) 2.710 18.507 ( -0.154 0.000 1.777) 1.784 18.926 ( 4.214 0.000 4.794) 6.383 19.036 ( 5.967 0.000 -4.997) 7.783 19.203 ( -1.694 0.000 3.972) 4.318 19.514 ( 10.325 0.000 -2.022) 10.521 19.710 ( 2.253 0.000 -1.470) 2.690 19.827 ( 8.533 0.000 5.475) 10.138 20.108 ( 0.996 0.000 -0.922) 1.357 20.170 ( 2.795 0.000 -1.638) 3.240 20.327 ( -5.547 0.000 -1.775) 5.825 20.369 ( -2.943 0.000 0.998) 3.107 20.890 ( -18.060 0.000 -3.077) 18.321 21.231 ( -9.305 0.000 -7.749) 12.109 21.261 ( -9.381 0.000 -1.645) 9.524 21.372 ( -7.221 0.000 6.802) 9.920 21.585 ( -2.323 0.000 -5.191) 5.687 21.665 ( 5.492 0.000 1.656) 5.736 22.042 ( -6.402 0.000 3.058) 7.095 22.104 ( -1.930 0.000 -3.661) 4.139 23.232 ( 1.604 0.000 -0.247) 1.623 23.254 ( 3.616 0.000 0.916) 3.730 23.305 ( 0.279 0.000 -1.713) 1.736 23.354 ( 3.662 0.000 1.482) 3.951 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 20.100 0.000 -15.780) 25.554 1.777 ( 21.657 0.000 3.077) 21.875 1.952 ( 18.218 0.000 -7.936) 19.872 2.111 ( 20.170 0.000 16.428) 26.014 2.470 ( -4.026 0.000 1.314) 4.235 2.530 ( 10.790 0.000 -1.207) 10.857 2.688 ( -4.908 0.000 -3.820) 6.220 2.704 ( 2.498 0.000 -0.965) 2.678 2.736 ( 5.597 0.000 -8.245) 9.966 2.843 ( -1.120 0.000 0.889) 1.430 2.960 ( -3.498 0.000 2.027) 4.043 3.035 ( -2.746 0.000 10.098) 10.464 3.156 ( -6.597 0.000 -3.067) 7.275 3.298 ( -6.610 0.000 6.511) 9.278 3.336 ( -7.181 0.000 1.051) 7.257 3.343 ( -7.316 0.000 3.395) 8.066 3.511 ( -10.325 0.000 -0.180) 10.326 3.534 ( 7.180 0.000 10.575) 12.782 3.562 ( 1.010 0.000 -0.022) 1.010 3.576 ( 3.462 0.000 1.125) 3.640 3.604 ( 3.891 0.000 -11.733) 12.362 3.641 ( 8.419 0.000 0.289) 8.424 3.654 ( -0.395 0.000 1.860) 1.902 3.778 ( 11.730 0.000 6.465) 13.393 3.881 ( 0.681 0.000 -4.371) 4.424 3.956 ( 1.114 0.000 -2.920) 3.125 4.032 ( -0.843 0.000 -1.377) 1.614 4.105 ( 0.855 0.000 1.210) 1.481 4.119 ( 18.158 0.000 -9.572) 20.526 4.183 ( 3.535 0.000 7.082) 7.915 4.208 ( 3.889 0.000 -3.222) 5.050 4.315 ( 1.557 0.000 -0.608) 1.671 4.472 ( 9.514 0.000 0.653) 9.537 4.496 ( 0.376 0.000 -4.094) 4.112 4.556 ( 7.268 0.000 1.156) 7.360 4.584 ( 4.641 0.000 0.133) 4.642 4.638 ( -7.163 0.000 -0.948) 7.226 4.713 ( 7.940 0.000 -0.114) 7.941 4.733 ( 2.160 0.000 -0.134) 2.164 4.796 ( -2.809 0.000 0.326) 2.828 4.926 ( 6.017 0.000 9.381) 11.145 4.934 ( 9.601 0.000 -2.959) 10.047 5.070 ( 2.359 0.000 -0.398) 2.392 5.131 ( -0.847 0.000 -1.237) 1.499 5.216 ( -0.716 0.000 3.969) 4.033 5.239 ( -3.272 0.000 4.759) 5.775 5.259 ( 4.603 0.000 0.640) 4.647 5.386 ( -4.216 0.000 -0.586) 4.257 5.465 ( 5.398 0.000 -8.267) 9.873 5.676 ( 4.965 0.000 -2.093) 5.388 5.768 ( -6.275 0.000 -1.446) 6.440 5.811 ( 2.076 0.000 -5.755) 6.118 5.848 ( 9.285 0.000 -6.834) 11.529 5.982 ( 0.961 0.000 -1.113) 1.471 6.028 ( -24.038 0.000 3.194) 24.250 6.056 ( -1.269 0.000 5.272) 5.423 6.107 ( -4.928 0.000 0.785) 4.990 6.242 ( -2.069 0.000 1.426) 2.512 6.324 ( -5.385 0.000 2.813) 6.076 6.538 ( -3.599 0.000 5.542) 6.608 6.689 ( -0.177 0.000 -0.752) 0.772 6.707 ( -2.509 0.000 4.733) 5.357 6.778 ( 4.804 0.000 5.670) 7.432 6.792 ( 5.155 0.000 -4.320) 6.726 6.918 ( -0.890 0.000 -9.855) 9.895 7.001 ( -0.926 0.000 10.058) 10.101 7.028 ( -7.290 0.000 7.252) 10.282 7.106 ( 2.744 0.000 -1.028) 2.930 7.135 ( -3.824 0.000 0.648) 3.878 7.155 ( -7.219 0.000 -8.543) 11.184 7.192 ( 0.369 0.000 -4.046) 4.063 7.281 ( -0.223 0.000 -7.761) 7.764 7.423 ( 2.663 0.000 -4.249) 5.014 7.429 ( -3.194 0.000 6.218) 6.990 7.436 ( -4.641 0.000 2.342) 5.198 7.609 ( -2.824 0.000 5.202) 5.919 7.727 ( 0.884 0.000 5.375) 5.448 7.823 ( -6.481 0.000 -10.823) 12.615 7.885 ( -12.637 0.000 7.327) 14.607 8.039 ( -5.433 0.000 2.359) 5.923 8.121 ( -12.510 0.000 -0.518) 12.521 8.169 ( -10.963 0.000 -2.713) 11.294 8.214 ( -0.896 0.000 -0.048) 0.897 8.303 ( -6.104 0.000 1.303) 6.241 8.309 ( 2.832 0.000 -0.208) 2.840 8.504 ( -6.567 0.000 -0.703) 6.604 8.552 ( -10.050 0.000 3.577) 10.668 8.723 ( -1.421 0.000 -2.854) 3.188 8.791 ( 0.226 0.000 0.045) 0.230 8.877 ( -4.745 0.000 -0.071) 4.746 9.033 ( 6.466 0.000 5.873) 8.735 9.092 ( 9.212 0.000 -4.634) 10.312 9.196 ( 9.602 0.000 -0.028) 9.602 9.265 ( 2.299 0.000 2.669) 3.523 9.303 ( 2.908 0.000 -4.133) 5.053 9.400 ( 3.387 0.000 -4.146) 5.353 9.518 ( -5.084 0.000 5.095) 7.198 9.522 ( 3.538 0.000 -0.509) 3.575 9.641 ( 4.053 0.000 -3.717) 5.500 9.710 ( -4.119 0.000 3.115) 5.164 9.955 ( -1.890 0.000 5.776) 6.078 9.971 ( 8.328 0.000 -8.508) 11.905 10.038 ( -1.560 0.000 -4.445) 4.711 10.100 ( 2.470 0.000 -3.743) 4.485 10.233 ( 2.326 0.000 8.850) 9.151 10.323 ( -0.617 0.000 3.821) 3.870 10.428 ( -1.689 0.000 -0.312) 1.718 10.545 ( 3.642 0.000 -4.128) 5.505 10.549 ( 4.208 0.000 3.710) 5.610 10.594 ( 3.629 0.000 4.744) 5.972 10.621 ( -0.131 0.000 2.785) 2.788 10.667 ( 2.769 0.000 0.020) 2.769 10.697 ( 1.782 0.000 -1.885) 2.594 10.776 ( 1.811 0.000 2.456) 3.051 10.825 ( -1.626 0.000 -3.278) 3.660 10.880 ( 1.597 0.000 -2.244) 2.754 10.951 ( -1.068 0.000 -0.616) 1.233 11.074 ( 5.768 0.000 -2.547) 6.306 11.143 ( -4.211 0.000 0.701) 4.269 11.208 ( -0.443 0.000 -0.529) 0.689 11.297 ( -2.126 0.000 4.550) 5.022 11.308 ( -5.588 0.000 -3.030) 6.356 11.393 ( 3.222 0.000 -5.661) 6.514 11.420 ( -0.719 0.000 3.984) 4.048 11.643 ( 6.891 0.000 3.816) 7.877 11.774 ( 2.881 0.000 -4.500) 5.344 11.824 ( 4.250 0.000 -3.229) 5.338 11.898 ( 6.333 0.000 -1.039) 6.418 11.926 ( -4.421 0.000 3.616) 5.711 12.128 ( -2.725 0.000 3.453) 4.399 12.181 ( -5.982 0.000 1.866) 6.266 12.290 ( 0.859 0.000 -5.473) 5.540 12.299 ( 0.497 0.000 4.469) 4.497 12.591 ( 1.880 0.000 4.895) 5.243 12.625 ( -2.276 0.000 5.300) 5.767 12.685 ( 0.842 0.000 -6.533) 6.587 13.604 ( 0.422 0.000 8.049) 8.060 13.886 ( -0.403 0.000 0.107) 0.417 13.972 ( -0.771 0.000 2.888) 2.989 13.980 ( 5.867 0.000 -6.473) 8.736 14.137 ( 1.324 0.000 -6.061) 6.204 14.230 ( -2.277 0.000 0.990) 2.482 14.509 ( -0.609 0.000 -5.568) 5.601 14.606 ( -2.666 0.000 -3.228) 4.187 14.805 ( 5.162 0.000 -3.286) 6.120 14.956 ( 3.558 0.000 5.730) 6.745 15.128 ( 2.066 0.000 4.305) 4.775 15.423 ( -0.850 0.000 -2.210) 2.368 15.608 ( -3.740 0.000 -3.498) 5.121 15.656 ( -0.640 0.000 1.346) 1.491 16.144 ( 0.138 0.000 -5.884) 5.885 16.235 ( -5.218 0.000 6.069) 8.004 17.594 ( 3.430 0.000 0.999) 3.572 17.812 ( 4.493 0.000 -3.289) 5.568 18.206 ( 5.635 0.000 -0.161) 5.638 18.237 ( 4.005 0.000 6.128) 7.321 18.451 ( 0.534 0.000 -0.363) 0.646 18.512 ( -0.254 0.000 1.185) 1.212 19.070 ( 6.084 0.000 7.931) 9.996 19.179 ( 9.266 0.000 1.820) 9.443 19.261 ( 5.667 0.000 1.206) 5.794 19.687 ( 8.301 0.000 -2.532) 8.679 19.809 ( 6.734 0.000 1.738) 6.955 20.063 ( 9.537 0.000 6.658) 11.631 20.128 ( 2.769 0.000 -4.446) 5.238 20.158 ( -3.526 0.000 -5.269) 6.340 20.165 ( -9.973 0.000 -1.651) 10.109 20.294 ( -3.332 0.000 0.487) 3.367 20.596 ( -4.047 0.000 -6.113) 7.331 20.877 ( -17.420 0.000 -6.871) 18.726 21.078 ( -10.939 0.000 -3.470) 11.476 21.217 ( -12.136 0.000 3.600) 12.659 21.520 ( -1.689 0.000 0.152) 1.696 21.728 ( 0.760 0.000 -1.215) 1.434 21.922 ( -8.071 0.000 6.534) 10.384 22.009 ( -3.810 0.000 -5.683) 6.842 23.284 ( 3.041 0.000 1.393) 3.345 23.314 ( 1.288 0.000 -0.707) 1.469 23.323 ( 2.791 0.000 -0.231) 2.801 23.431 ( 3.106 0.000 -0.207) 3.113 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 26.013 0.000 -5.327) 26.553 2.250 ( 24.433 0.000 -0.791) 24.446 2.261 ( 12.305 0.000 -4.550) 13.119 2.407 ( -6.015 0.000 10.165) 11.812 2.480 ( -6.463 0.000 -4.443) 7.843 2.555 ( 9.971 0.000 6.960) 12.160 2.668 ( -1.680 0.000 1.780) 2.448 2.701 ( -0.924 0.000 -0.763) 1.198 2.804 ( -3.735 0.000 7.368) 8.260 2.816 ( 0.070 0.000 -5.593) 5.593 2.907 ( -14.561 0.000 -0.541) 14.571 2.974 ( -2.103 0.000 -6.360) 6.698 2.988 ( -7.109 0.000 -0.356) 7.117 3.031 ( 6.469 0.000 4.325) 7.782 3.102 ( -11.419 0.000 -1.392) 11.504 3.272 ( -6.857 0.000 10.238) 12.322 3.434 ( -4.475 0.000 5.605) 7.172 3.523 ( 1.668 0.000 5.288) 5.545 3.615 ( 1.540 0.000 0.773) 1.723 3.698 ( 4.676 0.000 1.873) 5.038 3.700 ( 4.660 0.000 -0.622) 4.701 3.786 ( 5.462 0.000 1.554) 5.679 3.859 ( -2.084 0.000 2.754) 3.454 3.896 ( -7.842 0.000 -4.285) 8.936 3.900 ( 11.217 0.000 -4.144) 11.958 3.960 ( 3.746 0.000 -5.169) 6.384 4.037 ( 7.108 0.000 0.321) 7.115 4.121 ( 6.601 0.000 0.981) 6.673 4.215 ( -2.154 0.000 -4.954) 5.402 4.280 ( -1.228 0.000 -9.541) 9.620 4.300 ( -1.694 0.000 6.164) 6.393 4.367 ( 3.557 0.000 1.481) 3.853 4.441 ( -2.981 0.000 -3.198) 4.372 4.536 ( -5.520 0.000 -6.636) 8.632 4.606 ( 1.930 0.000 3.037) 3.598 4.612 ( 11.051 0.000 -1.542) 11.158 4.754 ( -1.565 0.000 5.654) 5.866 4.779 ( -0.450 0.000 -2.267) 2.311 4.790 ( -0.172 0.000 -1.956) 1.963 4.807 ( 17.393 0.000 -9.573) 19.854 5.056 ( 1.877 0.000 1.385) 2.332 5.083 ( -6.691 0.000 1.935) 6.965 5.105 ( -3.863 0.000 -4.847) 6.198 5.111 ( 1.510 0.000 -2.083) 2.573 5.184 ( 3.687 0.000 -0.991) 3.818 5.214 ( -2.367 0.000 6.495) 6.913 5.326 ( -1.273 0.000 2.087) 2.444 5.418 ( 13.651 0.000 5.742) 14.810 5.526 ( -11.252 0.000 3.871) 11.899 5.608 ( 9.058 0.000 -0.862) 9.099 5.692 ( 0.175 0.000 6.881) 6.884 5.716 ( -6.049 0.000 -0.553) 6.074 5.858 ( -1.428 0.000 -4.635) 4.850 5.901 ( -3.858 0.000 -4.437) 5.880 5.942 ( 4.602 0.000 2.566) 5.269 6.100 ( 0.336 0.000 7.512) 7.520 6.115 ( 2.516 0.000 4.003) 4.728 6.278 ( 1.080 0.000 1.114) 1.552 6.323 ( 4.652 0.000 0.605) 4.691 6.441 ( -4.148 0.000 -0.412) 4.168 6.601 ( -10.105 0.000 -4.104) 10.906 6.632 ( -3.763 0.000 -2.979) 4.799 6.836 ( -5.458 0.000 -3.140) 6.296 6.851 ( 0.389 0.000 -7.715) 7.725 6.893 ( -2.163 0.000 0.479) 2.215 6.905 ( 2.562 0.000 -1.131) 2.801 6.984 ( -5.919 0.000 -1.446) 6.094 7.014 ( -2.422 0.000 6.867) 7.282 7.081 ( 3.458 0.000 -6.561) 7.416 7.113 ( 0.655 0.000 -3.583) 3.642 7.278 ( 5.558 0.000 0.689) 5.601 7.285 ( 2.688 0.000 1.795) 3.232 7.384 ( -2.207 0.000 6.519) 6.882 7.426 ( -0.570 0.000 4.670) 4.705 7.461 ( 1.307 0.000 -5.169) 5.331 7.606 ( 0.028 0.000 3.685) 3.685 7.697 ( -7.445 0.000 2.619) 7.892 7.727 ( 4.212 0.000 -3.206) 5.294 7.780 ( -2.229 0.000 8.230) 8.526 7.857 ( -15.225 0.000 0.797) 15.246 7.988 ( -2.649 0.000 -1.144) 2.886 8.001 ( 0.195 0.000 7.045) 7.048 8.135 ( -6.192 0.000 -4.549) 7.684 8.274 ( 5.380 0.000 -1.207) 5.514 8.309 ( -3.668 0.000 -5.207) 6.369 8.402 ( -5.378 0.000 1.197) 5.509 8.449 ( -0.088 0.000 4.517) 4.518 8.627 ( -4.016 0.000 -5.079) 6.475 8.788 ( -1.243 0.000 -0.641) 1.399 8.788 ( -1.385 0.000 -0.589) 1.505 9.154 ( 1.169 0.000 6.656) 6.758 9.205 ( 5.276 0.000 -4.843) 7.162 9.237 ( -4.859 0.000 5.422) 7.280 9.334 ( 2.631 0.000 -5.156) 5.788 9.410 ( 7.534 0.000 1.329) 7.650 9.474 ( 4.817 0.000 -2.513) 5.433 9.475 ( -1.573 0.000 2.335) 2.816 9.563 ( -1.492 0.000 -1.700) 2.262 9.676 ( 3.019 0.000 -1.224) 3.258 9.699 ( 0.927 0.000 -0.567) 1.086 9.948 ( 2.678 0.000 -6.428) 6.963 9.953 ( -4.729 0.000 -3.333) 5.786 10.016 ( -0.473 0.000 5.145) 5.167 10.084 ( -1.199 0.000 -1.356) 1.810 10.342 ( 2.705 0.000 7.258) 7.746 10.404 ( -1.246 0.000 3.131) 3.369 10.405 ( 5.452 0.000 -0.352) 5.463 10.551 ( -0.797 0.000 -3.298) 3.392 10.578 ( -2.667 0.000 2.854) 3.906 10.645 ( -2.037 0.000 -4.912) 5.318 10.666 ( 6.105 0.000 -3.624) 7.099 10.707 ( 0.239 0.000 3.152) 3.161 10.771 ( 2.882 0.000 2.192) 3.621 10.793 ( 2.526 0.000 -2.652) 3.662 10.825 ( 1.739 0.000 4.804) 5.109 10.923 ( 0.288 0.000 -1.441) 1.469 10.961 ( 2.875 0.000 0.993) 3.042 11.058 ( -0.677 0.000 2.666) 2.751 11.096 ( -2.228 0.000 -4.829) 5.319 11.199 ( 0.319 0.000 1.563) 1.595 11.218 ( -2.322 0.000 2.413) 3.349 11.270 ( -4.508 0.000 1.965) 4.918 11.403 ( 1.338 0.000 -5.628) 5.785 11.406 ( -1.809 0.000 1.202) 2.172 11.774 ( 1.807 0.000 -0.796) 1.975 11.835 ( -0.591 0.000 -3.431) 3.481 11.838 ( 7.903 0.000 1.717) 8.087 11.889 ( -2.546 0.000 6.321) 6.815 11.964 ( -0.914 0.000 -1.816) 2.033 12.053 ( -1.813 0.000 -0.442) 1.866 12.147 ( -0.514 0.000 2.098) 2.160 12.252 ( -0.997 0.000 -5.300) 5.393 12.374 ( 5.159 0.000 2.135) 5.583 12.529 ( -5.134 0.000 -2.092) 5.544 12.625 ( -2.276 0.000 8.993) 9.276 12.749 ( 4.344 0.000 -2.897) 5.221 13.663 ( -0.387 0.000 10.832) 10.839 13.901 ( 2.821 0.000 -3.544) 4.530 13.983 ( -1.340 0.000 4.899) 5.079 14.019 ( 2.194 0.000 -3.557) 4.179 14.154 ( 2.523 0.000 -4.770) 5.396 14.175 ( -3.345 0.000 -0.527) 3.386 14.468 ( 0.560 0.000 -5.373) 5.402 14.508 ( -3.348 0.000 -4.258) 5.416 14.937 ( 7.589 0.000 0.895) 7.641 15.016 ( -1.010 0.000 3.385) 3.532 15.236 ( 5.261 0.000 6.245) 8.165 15.395 ( -0.139 0.000 -1.579) 1.585 15.501 ( -4.030 0.000 -4.091) 5.742 15.571 ( -6.030 0.000 -5.095) 7.894 16.171 ( -5.430 0.000 6.026) 8.112 16.173 ( 4.597 0.000 -3.249) 5.630 17.680 ( 3.969 0.000 1.860) 4.383 17.822 ( -1.171 0.000 -4.338) 4.494 18.285 ( 3.212 0.000 0.986) 3.360 18.297 ( -0.703 0.000 3.800) 3.864 18.492 ( 3.504 0.000 -2.146) 4.109 18.507 ( -1.038 0.000 0.539) 1.170 19.259 ( 6.839 0.000 12.918) 14.617 19.365 ( 5.018 0.000 5.104) 7.158 19.404 ( 7.451 0.000 -1.247) 7.555 19.739 ( -5.351 0.000 -6.792) 8.647 19.891 ( -1.942 0.000 -0.232) 1.956 19.983 ( 5.646 0.000 -1.160) 5.764 20.032 ( -6.458 0.000 -2.845) 7.057 20.149 ( 3.422 0.000 2.594) 4.294 20.197 ( 0.901 0.000 -5.886) 5.955 20.372 ( -1.473 0.000 0.264) 1.497 20.578 ( 1.086 0.000 0.457) 1.178 20.635 ( 8.122 0.000 -4.028) 9.067 20.815 ( -13.177 0.000 -2.574) 13.426 20.948 ( -15.411 0.000 -1.588) 15.492 21.531 ( 1.328 0.000 3.662) 3.896 21.689 ( -2.491 0.000 -4.128) 4.822 21.832 ( -5.278 0.000 7.552) 9.214 21.932 ( 0.156 0.000 -5.195) 5.197 23.329 ( 0.713 0.000 0.682) 0.987 23.354 ( 0.719 0.000 -0.835) 1.102 23.364 ( 2.885 0.000 2.236) 3.650 23.457 ( 0.052 0.000 -1.821) 1.822 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -27.785 0.000 8.251) 28.984 2.089 ( -30.046 0.000 6.530) 30.748 2.367 ( -10.167 0.000 -7.849) 12.844 2.454 ( 2.659 0.000 -1.117) 2.884 2.542 ( 0.529 0.000 -1.394) 1.491 2.618 ( -1.355 0.000 -0.449) 1.427 2.679 ( 3.458 0.000 4.683) 5.821 2.721 ( 1.615 0.000 0.480) 1.685 2.792 ( 3.731 0.000 -7.046) 7.973 2.793 ( -4.581 0.000 6.283) 7.775 2.870 ( -1.465 0.000 0.400) 1.519 2.940 ( 11.003 0.000 3.547) 11.560 2.998 ( 16.039 0.000 -8.198) 18.012 3.122 ( 11.076 0.000 -2.399) 11.333 3.123 ( -6.207 0.000 -3.136) 6.954 3.309 ( 15.303 0.000 4.036) 15.826 3.469 ( -2.187 0.000 4.911) 5.376 3.557 ( 0.367 0.000 -1.505) 1.549 3.624 ( -3.827 0.000 5.940) 7.066 3.676 ( -4.397 0.000 0.648) 4.445 3.750 ( 0.649 0.000 0.648) 0.917 3.768 ( -7.354 0.000 -5.089) 8.943 3.795 ( -7.229 0.000 5.660) 9.181 3.857 ( 0.769 0.000 2.454) 2.572 3.953 ( 5.073 0.000 -5.476) 7.465 4.001 ( -2.138 0.000 -5.869) 6.246 4.092 ( -6.262 0.000 -8.337) 10.427 4.107 ( -5.304 0.000 7.659) 9.317 4.124 ( -6.161 0.000 0.782) 6.211 4.160 ( -1.107 0.000 1.211) 1.640 4.349 ( -3.504 0.000 0.077) 3.505 4.363 ( -3.647 0.000 0.493) 3.680 4.395 ( 4.997 0.000 5.011) 7.077 4.438 ( -0.961 0.000 -1.014) 1.397 4.565 ( -3.184 0.000 4.145) 5.227 4.642 ( -7.812 0.000 3.919) 8.740 4.664 ( -9.097 0.000 -2.159) 9.349 4.789 ( 3.677 0.000 -0.434) 3.703 4.805 ( 1.199 0.000 -3.277) 3.490 4.921 ( -0.493 0.000 -10.709) 10.720 5.036 ( -0.853 0.000 3.698) 3.795 5.057 ( 0.982 0.000 2.338) 2.536 5.071 ( -5.105 0.000 0.592) 5.139 5.147 ( 7.380 0.000 -5.775) 9.370 5.173 ( 0.978 0.000 -2.264) 2.466 5.263 ( 1.789 0.000 -1.022) 2.060 5.401 ( 3.554 0.000 -3.760) 5.174 5.413 ( 1.251 0.000 1.698) 2.109 5.511 ( -3.931 0.000 1.902) 4.367 5.713 ( 1.509 0.000 2.288) 2.741 5.734 ( 1.851 0.000 10.542) 10.704 5.763 ( 0.247 0.000 4.746) 4.753 5.764 ( -2.265 0.000 -9.345) 9.615 5.825 ( -3.049 0.000 -2.890) 4.201 6.009 ( -13.240 0.000 -4.315) 13.926 6.125 ( 8.797 0.000 8.146) 11.989 6.251 ( 4.481 0.000 -7.320) 8.583 6.259 ( 5.419 0.000 1.101) 5.530 6.359 ( -5.047 0.000 -1.401) 5.237 6.441 ( 6.228 0.000 -0.867) 6.288 6.546 ( 3.928 0.000 0.418) 3.950 6.556 ( 3.770 0.000 5.206) 6.428 6.769 ( -1.553 0.000 -4.836) 5.080 6.811 ( -1.010 0.000 -1.517) 1.822 6.848 ( 2.263 0.000 3.229) 3.943 6.889 ( 3.213 0.000 2.138) 3.859 6.978 ( -3.226 0.000 3.683) 4.896 7.012 ( 1.522 0.000 -4.500) 4.751 7.097 ( 0.864 0.000 -1.579) 1.800 7.117 ( 2.281 0.000 -4.772) 5.289 7.309 ( -3.705 0.000 -0.981) 3.833 7.332 ( -6.867 0.000 -2.006) 7.154 7.398 ( 4.503 0.000 2.111) 4.974 7.404 ( 3.297 0.000 2.327) 4.036 7.463 ( -2.490 0.000 10.361) 10.656 7.560 ( -7.240 0.000 -4.202) 8.371 7.711 ( 2.238 0.000 7.429) 7.759 7.765 ( 8.751 0.000 -4.105) 9.666 7.805 ( 5.487 0.000 3.552) 6.536 7.854 ( 6.552 0.000 -1.509) 6.724 8.009 ( -1.836 0.000 -4.298) 4.673 8.028 ( 7.335 0.000 3.917) 8.315 8.147 ( 4.639 0.000 11.659) 12.548 8.169 ( -4.929 0.000 -5.846) 7.646 8.280 ( -6.028 0.000 -3.103) 6.780 8.422 ( 9.139 0.000 -0.628) 9.161 8.541 ( 6.234 0.000 2.971) 6.906 8.577 ( 2.924 0.000 -7.746) 8.279 8.776 ( 1.024 0.000 0.082) 1.028 8.806 ( 3.123 0.000 -1.438) 3.438 9.084 ( -8.583 0.000 7.091) 11.133 9.230 ( -1.954 0.000 -1.065) 2.225 9.256 ( 0.417 0.000 3.471) 3.496 9.368 ( 4.998 0.000 -7.384) 8.916 9.428 ( -8.410 0.000 -0.958) 8.464 9.433 ( -4.025 0.000 1.498) 4.295 9.491 ( -1.692 0.000 5.869) 6.108 9.516 ( -0.550 0.000 -3.721) 3.762 9.701 ( 2.770 0.000 -2.903) 4.013 9.730 ( -0.605 0.000 -1.722) 1.825 9.836 ( -3.768 0.000 2.346) 4.438 9.940 ( -1.545 0.000 -1.294) 2.015 10.058 ( 0.496 0.000 1.281) 1.374 10.074 ( 1.963 0.000 -1.863) 2.706 10.396 ( -0.522 0.000 2.104) 2.168 10.451 ( 2.744 0.000 6.974) 7.495 10.473 ( 2.533 0.000 -5.846) 6.371 10.522 ( -1.298 0.000 -6.538) 6.665 10.529 ( -4.201 0.000 3.795) 5.661 10.570 ( 0.790 0.000 1.323) 1.541 10.669 ( -0.403 0.000 -2.063) 2.102 10.768 ( 1.617 0.000 -1.901) 2.496 10.804 ( -0.334 0.000 -1.341) 1.382 10.825 ( 1.349 0.000 -4.702) 4.892 10.875 ( -2.175 0.000 1.201) 2.484 10.894 ( -0.995 0.000 6.911) 6.983 10.972 ( -3.479 0.000 -8.868) 9.526 10.991 ( 4.486 0.000 1.430) 4.709 11.159 ( -4.433 0.000 -2.715) 5.199 11.202 ( -0.891 0.000 1.944) 2.139 11.206 ( -2.217 0.000 2.923) 3.668 11.253 ( 9.515 0.000 5.639) 11.060 11.384 ( -0.965 0.000 0.199) 0.986 11.386 ( 0.204 0.000 -1.479) 1.493 11.751 ( -5.338 0.000 -1.409) 5.521 11.782 ( -1.182 0.000 1.970) 2.298 11.891 ( -1.752 0.000 6.729) 6.954 11.929 ( -3.443 0.000 -5.342) 6.355 11.996 ( 0.887 0.000 -3.572) 3.681 12.018 ( 8.432 0.000 1.831) 8.628 12.190 ( 2.451 0.000 1.759) 3.017 12.202 ( -0.641 0.000 -3.997) 4.048 12.423 ( -3.146 0.000 -3.641) 4.812 12.499 ( 5.796 0.000 0.474) 5.815 12.644 ( -1.800 0.000 8.688) 8.872 12.777 ( 1.782 0.000 -6.264) 6.513 13.725 ( -0.702 0.000 11.939) 11.960 13.905 ( 1.792 0.000 -12.755) 12.880 13.959 ( -3.985 0.000 4.030) 5.667 14.037 ( 0.369 0.000 -0.322) 0.489 14.110 ( -2.812 0.000 0.061) 2.813 14.172 ( 2.080 0.000 -1.059) 2.334 14.446 ( -0.769 0.000 -2.395) 2.515 14.477 ( 2.856 0.000 -2.192) 3.600 14.948 ( -6.694 0.000 -0.595) 6.720 15.068 ( 4.959 0.000 -1.109) 5.082 15.355 ( -5.757 0.000 -6.009) 8.322 15.363 ( 1.729 0.000 3.164) 3.605 15.455 ( 1.041 0.000 0.379) 1.108 15.461 ( 2.957 0.000 4.497) 5.383 16.093 ( -6.207 0.000 5.497) 8.291 16.246 ( 4.202 0.000 -2.271) 4.777 17.734 ( -4.363 0.000 -3.926) 5.869 17.749 ( 0.799 0.000 3.411) 3.503 18.279 ( -2.433 0.000 1.312) 2.764 18.351 ( 3.248 0.000 -1.256) 3.482 18.475 ( -2.120 0.000 -0.058) 2.121 18.536 ( 2.461 0.000 -2.841) 3.759 19.371 ( -5.708 0.000 2.244) 6.133 19.458 ( -0.430 0.000 -1.172) 1.249 19.494 ( -9.245 0.000 -11.591) 14.826 19.525 ( 9.687 0.000 13.673) 16.757 19.866 ( -10.221 0.000 -0.327) 10.227 19.968 ( 5.753 0.000 3.791) 6.890 20.063 ( -6.467 0.000 -8.252) 10.484 20.094 ( 2.229 0.000 4.353) 4.891 20.232 ( -2.679 0.000 -5.929) 6.506 20.329 ( 10.326 0.000 3.355) 10.857 20.568 ( -11.039 0.000 2.280) 11.272 20.644 ( -10.469 0.000 -4.787) 11.511 20.811 ( 11.138 0.000 -1.552) 11.246 20.889 ( 18.357 0.000 4.462) 18.891 21.604 ( 3.029 0.000 4.650) 5.549 21.609 ( -2.441 0.000 -4.471) 5.094 21.819 ( -0.622 0.000 6.888) 6.916 21.949 ( 4.333 0.000 -4.992) 6.610 23.336 ( -0.698 0.000 1.124) 1.323 23.343 ( -1.236 0.000 -0.789) 1.466 23.412 ( -2.919 0.000 -2.703) 3.979 23.418 ( 0.843 0.000 2.239) 2.392 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -30.714 0.000 10.970) 32.614 1.551 ( -29.442 0.000 14.743) 32.927 2.083 ( -10.549 0.000 -11.902) 15.905 2.332 ( -14.007 0.000 -4.657) 14.760 2.441 ( -27.263 0.000 12.064) 29.813 2.516 ( 0.583 0.000 -0.530) 0.788 2.523 ( -2.076 0.000 3.392) 3.977 2.714 ( -2.059 0.000 -1.558) 2.582 2.731 ( 0.983 0.000 -3.594) 3.726 2.856 ( 4.081 0.000 -1.778) 4.452 3.000 ( 0.532 0.000 1.278) 1.384 3.073 ( 6.303 0.000 1.613) 6.507 3.164 ( 5.349 0.000 -3.575) 6.434 3.261 ( 5.027 0.000 3.657) 6.217 3.344 ( -6.568 0.000 4.255) 7.826 3.444 ( 8.207 0.000 -0.630) 8.231 3.454 ( -7.056 0.000 1.070) 7.136 3.503 ( 2.299 0.000 0.353) 2.326 3.549 ( -2.637 0.000 1.681) 3.127 3.624 ( 11.616 0.000 -9.702) 15.135 3.638 ( -2.946 0.000 -3.237) 4.377 3.697 ( -3.383 0.000 -2.555) 4.239 3.768 ( 2.017 0.000 -0.921) 2.218 3.836 ( -9.630 0.000 -1.413) 9.733 3.851 ( -4.972 0.000 5.554) 7.455 3.918 ( -3.662 0.000 -9.342) 10.034 3.982 ( -4.325 0.000 3.934) 5.846 4.028 ( -3.184 0.000 0.048) 3.184 4.153 ( 14.462 0.000 -3.960) 14.994 4.185 ( -1.965 0.000 -0.119) 1.968 4.276 ( -7.816 0.000 -2.441) 8.188 4.304 ( -3.667 0.000 3.640) 5.167 4.386 ( -9.080 0.000 4.707) 10.227 4.419 ( 0.583 0.000 5.407) 5.439 4.512 ( -6.143 0.000 2.492) 6.629 4.546 ( 0.194 0.000 3.559) 3.565 4.656 ( 5.907 0.000 -3.378) 6.805 4.746 ( -2.822 0.000 -2.104) 3.520 4.760 ( -3.687 0.000 -0.702) 3.754 4.855 ( -1.209 0.000 -6.184) 6.301 4.904 ( -11.112 0.000 0.277) 11.115 5.000 ( -6.136 0.000 2.653) 6.685 5.071 ( -0.270 0.000 4.469) 4.477 5.135 ( -8.629 0.000 -5.515) 10.241 5.254 ( 2.286 0.000 4.857) 5.368 5.287 ( 7.431 0.000 -2.246) 7.763 5.294 ( -6.579 0.000 0.355) 6.589 5.386 ( -4.985 0.000 -10.194) 11.347 5.455 ( 3.110 0.000 -5.617) 6.420 5.632 ( -6.672 0.000 3.817) 7.687 5.716 ( -7.278 0.000 8.451) 11.153 5.763 ( -9.052 0.000 -1.218) 9.134 5.796 ( 6.930 0.000 -3.588) 7.804 5.895 ( 3.268 0.000 3.998) 5.164 6.012 ( 17.144 0.000 0.776) 17.162 6.200 ( 2.570 0.000 -6.365) 6.864 6.262 ( -1.482 0.000 -7.684) 7.825 6.273 ( 0.381 0.000 -0.501) 0.630 6.356 ( 7.505 0.000 -0.996) 7.571 6.516 ( 3.310 0.000 4.431) 5.531 6.616 ( 0.108 0.000 8.964) 8.965 6.724 ( -2.680 0.000 1.284) 2.972 6.738 ( -0.103 0.000 0.749) 0.756 6.868 ( 6.573 0.000 -5.243) 8.408 6.918 ( -0.535 0.000 -6.329) 6.352 6.984 ( 6.589 0.000 2.868) 7.186 7.015 ( 5.427 0.000 8.246) 9.872 7.032 ( 6.157 0.000 9.495) 11.317 7.119 ( -1.590 0.000 -1.216) 2.002 7.126 ( -0.379 0.000 0.007) 0.379 7.206 ( -2.199 0.000 -7.308) 7.632 7.223 ( 0.859 0.000 -5.278) 5.347 7.416 ( 0.172 0.000 -2.010) 2.017 7.427 ( -1.004 0.000 1.585) 1.876 7.578 ( 7.648 0.000 -3.931) 8.599 7.584 ( 4.340 0.000 14.408) 15.047 7.732 ( 1.696 0.000 -4.077) 4.415 7.857 ( -0.748 0.000 -6.786) 6.827 7.954 ( 0.850 0.000 10.318) 10.353 7.967 ( 10.259 0.000 -3.794) 10.938 8.092 ( 10.093 0.000 3.357) 10.637 8.136 ( 8.785 0.000 -2.843) 9.233 8.209 ( 0.179 0.000 0.956) 0.973 8.264 ( 0.488 0.000 5.802) 5.822 8.273 ( 12.402 0.000 1.836) 12.537 8.558 ( 2.899 0.000 1.772) 3.398 8.609 ( 5.051 0.000 -9.134) 10.437 8.707 ( 9.251 0.000 -0.219) 9.253 8.789 ( -0.623 0.000 1.399) 1.532 8.891 ( 4.539 0.000 -0.345) 4.552 8.993 ( -3.396 0.000 4.064) 5.296 9.098 ( -11.145 0.000 -0.743) 11.170 9.228 ( -6.806 0.000 -3.571) 7.686 9.246 ( -2.408 0.000 1.703) 2.949 9.334 ( -6.351 0.000 -4.402) 7.727 9.346 ( -5.009 0.000 1.141) 5.138 9.477 ( -1.699 0.000 4.469) 4.781 9.514 ( 1.410 0.000 1.995) 2.443 9.660 ( -2.730 0.000 0.523) 2.780 9.782 ( 6.145 0.000 -2.700) 6.712 9.835 ( -11.295 0.000 4.882) 12.305 9.857 ( 3.577 0.000 1.181) 3.767 10.062 ( 0.633 0.000 -0.025) 0.633 10.140 ( 5.783 0.000 -4.665) 7.430 10.380 ( -1.003 0.000 -1.754) 2.021 10.395 ( -3.878 0.000 -7.290) 8.258 10.466 ( -2.190 0.000 3.614) 4.226 10.487 ( 0.087 0.000 -5.753) 5.753 10.544 ( 0.261 0.000 6.726) 6.731 10.624 ( -1.940 0.000 -3.773) 4.243 10.664 ( -1.854 0.000 5.630) 5.927 10.706 ( 3.458 0.000 -2.185) 4.090 10.761 ( -3.182 0.000 -5.340) 6.216 10.784 ( -2.059 0.000 -9.989) 10.199 10.827 ( -5.010 0.000 3.113) 5.899 10.896 ( 3.151 0.000 -7.222) 7.879 10.938 ( 1.564 0.000 0.169) 1.573 11.022 ( -5.105 0.000 3.277) 6.066 11.145 ( 2.096 0.000 0.206) 2.106 11.181 ( -0.101 0.000 6.182) 6.182 11.214 ( 1.298 0.000 -0.016) 1.299 11.344 ( -0.516 0.000 -0.473) 0.700 11.396 ( 1.924 0.000 -2.234) 2.948 11.458 ( 5.038 0.000 2.783) 5.756 11.645 ( -5.542 0.000 3.196) 6.397 11.751 ( -4.191 0.000 3.973) 5.775 11.767 ( -6.825 0.000 -8.581) 10.964 11.856 ( -5.555 0.000 4.002) 6.847 12.034 ( 4.013 0.000 -4.960) 6.380 12.165 ( 3.683 0.000 -0.496) 3.716 12.214 ( 5.603 0.000 -1.771) 5.876 12.230 ( 0.378 0.000 0.358) 0.520 12.372 ( 0.165 0.000 -3.833) 3.836 12.566 ( -3.015 0.000 6.532) 7.194 12.659 ( 2.210 0.000 -2.191) 3.112 12.757 ( 1.139 0.000 -7.659) 7.744 13.767 ( -3.918 0.000 11.791) 12.425 13.813 ( -2.062 0.000 -15.160) 15.299 13.914 ( -0.554 0.000 1.484) 1.584 14.008 ( -2.370 0.000 -0.283) 2.387 14.063 ( -2.226 0.000 1.124) 2.494 14.224 ( 2.524 0.000 1.132) 2.766 14.447 ( 1.346 0.000 0.499) 1.436 14.544 ( 3.651 0.000 1.680) 4.019 14.782 ( -8.493 0.000 -0.470) 8.506 15.089 ( -0.916 0.000 -7.511) 7.567 15.200 ( -4.003 0.000 -3.236) 5.147 15.379 ( 0.083 0.000 1.843) 1.844 15.544 ( 4.744 0.000 3.185) 5.714 15.619 ( 6.340 0.000 6.370) 8.987 16.018 ( -4.063 0.000 7.286) 8.342 16.304 ( 3.068 0.000 -1.778) 3.546 17.631 ( -3.292 0.000 -3.068) 4.500 17.740 ( -4.092 0.000 4.130) 5.814 18.211 ( -5.243 0.000 -0.331) 5.254 18.370 ( 0.213 0.000 -6.435) 6.438 18.449 ( 0.035 0.000 0.092) 0.099 18.552 ( 1.298 0.000 -3.622) 3.848 19.224 ( -7.385 0.000 -6.279) 9.693 19.287 ( -11.895 0.000 -10.477) 15.851 19.302 ( -3.943 0.000 -4.721) 6.151 19.604 ( -11.022 0.000 5.856) 12.481 19.870 ( -4.033 0.000 0.078) 4.034 19.957 ( 10.598 0.000 9.572) 14.281 20.020 ( -4.765 0.000 5.954) 7.626 20.162 ( 0.876 0.000 -2.502) 2.650 20.196 ( 3.041 0.000 -2.633) 4.022 20.321 ( -1.485 0.000 -2.520) 2.925 20.453 ( -2.394 0.000 8.195) 8.538 20.761 ( 15.708 0.000 4.971) 16.476 21.032 ( 10.996 0.000 1.217) 11.063 21.250 ( 15.979 0.000 0.558) 15.988 21.549 ( -1.286 0.000 -2.626) 2.924 21.682 ( 1.596 0.000 3.477) 3.826 21.889 ( 3.145 0.000 6.670) 7.374 22.019 ( 5.261 0.000 -4.130) 6.688 23.306 ( -2.007 0.000 -0.100) 2.010 23.314 ( -2.086 0.000 0.742) 2.214 23.324 ( -4.041 0.000 -2.400) 4.700 23.420 ( -1.639 0.000 0.981) 1.910 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -12.983 0.000 26.930) 29.896 1.205 ( -16.693 0.000 25.282) 30.296 1.849 ( -2.901 0.000 -18.673) 18.898 1.932 ( -28.008 0.000 19.499) 34.127 2.033 ( -11.612 0.000 -6.990) 13.553 2.528 ( -3.900 0.000 -1.678) 4.246 2.571 ( 1.257 0.000 10.161) 10.238 2.660 ( -1.157 0.000 -7.500) 7.589 2.753 ( 3.606 0.000 1.404) 3.870 2.934 ( 4.129 0.000 -0.762) 4.199 2.948 ( -3.538 0.000 1.862) 3.998 3.127 ( -2.465 0.000 -7.889) 8.265 3.129 ( -2.974 0.000 6.658) 7.292 3.214 ( -4.428 0.000 1.629) 4.718 3.251 ( -6.577 0.000 2.222) 6.942 3.353 ( -4.111 0.000 3.599) 5.464 3.459 ( 0.992 0.000 -0.429) 1.081 3.516 ( -0.129 0.000 -2.044) 2.048 3.555 ( -2.160 0.000 -4.351) 4.857 3.595 ( 2.040 0.000 -0.615) 2.131 3.660 ( -4.664 0.000 -1.949) 5.055 3.719 ( 5.321 0.000 -11.263) 12.457 3.767 ( 1.949 0.000 8.598) 8.816 3.829 ( -2.064 0.000 -4.027) 4.525 3.862 ( 2.141 0.000 0.400) 2.178 3.864 ( -0.876 0.000 -0.056) 0.877 3.974 ( -1.347 0.000 -6.113) 6.259 4.017 ( -1.111 0.000 -0.323) 1.157 4.071 ( -0.065 0.000 -3.767) 3.767 4.111 ( 8.657 0.000 -3.127) 9.204 4.239 ( -4.646 0.000 2.900) 5.477 4.283 ( -2.862 0.000 0.281) 2.876 4.433 ( -5.272 0.000 -1.652) 5.524 4.440 ( 9.821 0.000 -3.562) 10.447 4.493 ( -5.445 0.000 -3.246) 6.339 4.512 ( 1.591 0.000 6.573) 6.763 4.549 ( -2.880 0.000 -4.870) 5.658 4.680 ( -10.471 0.000 1.666) 10.602 4.705 ( 0.709 0.000 -0.293) 0.767 4.828 ( -8.131 0.000 -3.419) 8.821 4.847 ( -0.302 0.000 4.607) 4.617 4.884 ( 11.191 0.000 -2.966) 11.578 5.012 ( -1.877 0.000 -1.755) 2.570 5.087 ( -1.935 0.000 3.457) 3.962 5.173 ( -4.793 0.000 1.035) 4.904 5.273 ( -6.801 0.000 -1.705) 7.012 5.308 ( 2.703 0.000 -6.672) 7.199 5.320 ( -0.375 0.000 5.041) 5.055 5.456 ( -3.935 0.000 -0.296) 3.946 5.533 ( -5.050 0.000 2.356) 5.573 5.641 ( -3.164 0.000 3.024) 4.377 5.650 ( 1.183 0.000 1.568) 1.964 5.925 ( -1.742 0.000 2.435) 2.994 5.960 ( 5.643 0.000 -1.321) 5.796 6.094 ( 1.096 0.000 -2.923) 3.122 6.165 ( -1.083 0.000 -3.308) 3.481 6.330 ( 2.680 0.000 -2.190) 3.462 6.399 ( 10.765 0.000 2.571) 11.068 6.490 ( 3.043 0.000 3.425) 4.581 6.584 ( -0.213 0.000 8.650) 8.652 6.661 ( 0.823 0.000 1.379) 1.606 6.707 ( 4.477 0.000 -1.700) 4.789 6.811 ( 3.303 0.000 7.253) 7.970 6.858 ( 1.663 0.000 -5.422) 5.671 6.868 ( -0.081 0.000 -5.479) 5.480 7.003 ( -4.450 0.000 -0.801) 4.521 7.050 ( -3.623 0.000 -5.352) 6.463 7.157 ( 2.271 0.000 5.706) 6.142 7.161 ( -0.115 0.000 1.700) 1.704 7.184 ( 2.678 0.000 -1.470) 3.054 7.241 ( 9.088 0.000 4.532) 10.156 7.310 ( 9.098 0.000 -0.010) 9.098 7.408 ( -0.869 0.000 1.117) 1.415 7.426 ( 3.397 0.000 -5.752) 6.680 7.692 ( 6.766 0.000 -4.238) 7.983 7.714 ( -1.012 0.000 0.137) 1.021 7.724 ( -6.897 0.000 -9.366) 11.631 7.791 ( 6.363 0.000 10.077) 11.918 8.044 ( -0.146 0.000 8.458) 8.459 8.145 ( 8.022 0.000 -2.742) 8.478 8.237 ( -3.597 0.000 7.147) 8.001 8.258 ( 3.292 0.000 0.645) 3.354 8.260 ( 3.609 0.000 0.993) 3.743 8.407 ( 13.963 0.000 4.489) 14.667 8.527 ( 13.813 0.000 -11.524) 17.989 8.549 ( -4.224 0.000 4.388) 6.091 8.642 ( 5.697 0.000 -0.921) 5.771 8.755 ( -13.955 0.000 1.198) 14.006 8.791 ( 0.428 0.000 1.685) 1.738 8.883 ( 9.817 0.000 -5.492) 11.249 8.983 ( -0.662 0.000 -0.528) 0.847 9.004 ( -0.480 0.000 -1.573) 1.645 9.127 ( -11.166 0.000 -1.119) 11.222 9.194 ( -4.495 0.000 -0.526) 4.525 9.223 ( 7.713 0.000 -1.164) 7.800 9.290 ( -1.277 0.000 5.818) 5.956 9.494 ( 1.135 0.000 1.224) 1.669 9.548 ( -0.609 0.000 4.542) 4.583 9.585 ( -15.731 0.000 6.832) 17.151 9.637 ( -0.924 0.000 -1.277) 1.577 9.879 ( 5.299 0.000 -2.948) 6.064 9.990 ( 8.221 0.000 0.892) 8.269 10.087 ( 2.184 0.000 -3.295) 3.953 10.170 ( -2.651 0.000 -14.659) 14.897 10.279 ( -0.966 0.000 -0.981) 1.377 10.305 ( -5.682 0.000 1.600) 5.903 10.428 ( -0.380 0.000 -2.550) 2.578 10.484 ( -1.315 0.000 1.583) 2.058 10.546 ( 0.435 0.000 1.226) 1.301 10.572 ( -0.061 0.000 -4.708) 4.709 10.620 ( -2.528 0.000 -6.828) 7.281 10.668 ( -5.215 0.000 -0.399) 5.231 10.696 ( -1.695 0.000 -2.112) 2.708 10.759 ( -0.501 0.000 -1.655) 1.729 10.815 ( 0.821 0.000 1.277) 1.519 10.845 ( -3.217 0.000 -5.940) 6.755 10.916 ( -4.100 0.000 1.675) 4.429 10.939 ( -2.871 0.000 0.013) 2.871 11.153 ( -2.850 0.000 4.654) 5.457 11.211 ( -1.296 0.000 -4.051) 4.253 11.260 ( 3.396 0.000 1.667) 3.784 11.324 ( -3.768 0.000 3.866) 5.399 11.426 ( -2.204 0.000 -2.875) 3.623 11.448 ( 4.165 0.000 0.869) 4.255 11.606 ( 0.278 0.000 -0.691) 0.744 11.655 ( -7.027 0.000 2.209) 7.366 11.675 ( -0.093 0.000 4.459) 4.460 11.766 ( -5.784 0.000 3.827) 6.935 12.071 ( 3.182 0.000 -6.075) 6.858 12.174 ( -0.700 0.000 -3.722) 3.787 12.215 ( -1.607 0.000 2.494) 2.967 12.293 ( 1.070 0.000 -1.095) 1.531 12.389 ( 3.933 0.000 -3.726) 5.418 12.466 ( -8.041 0.000 3.456) 8.752 12.702 ( 2.149 0.000 -1.804) 2.806 12.743 ( 2.309 0.000 -6.750) 7.134 13.669 ( -3.043 0.000 -6.940) 7.578 13.694 ( -8.622 0.000 8.423) 12.054 13.968 ( 3.314 0.000 -1.842) 3.791 13.984 ( -0.428 0.000 1.366) 1.432 14.071 ( 2.158 0.000 6.185) 6.551 14.273 ( 1.827 0.000 0.915) 2.043 14.491 ( 1.836 0.000 2.145) 2.824 14.598 ( -1.335 0.000 0.271) 1.363 14.673 ( -1.617 0.000 5.034) 5.287 14.984 ( -2.583 0.000 -8.157) 8.556 15.169 ( 1.594 0.000 -2.630) 3.075 15.365 ( -4.418 0.000 2.429) 5.042 15.639 ( 2.545 0.000 2.324) 3.447 15.688 ( 0.047 0.000 -2.292) 2.293 16.123 ( 9.029 0.000 8.822) 12.623 16.342 ( 1.401 0.000 -0.822) 1.624 17.583 ( 0.337 0.000 -2.339) 2.363 17.659 ( -5.999 0.000 3.531) 6.961 18.084 ( -5.963 0.000 -1.957) 6.276 18.223 ( -9.991 0.000 -11.976) 15.596 18.471 ( 1.136 0.000 1.235) 1.677 18.546 ( 0.238 0.000 -2.784) 2.794 18.974 ( -12.595 0.000 0.411) 12.602 19.067 ( -2.723 0.000 -9.659) 10.036 19.262 ( 1.841 0.000 -2.155) 2.835 19.437 ( -10.738 0.000 6.369) 12.484 19.694 ( -5.648 0.000 -0.730) 5.695 19.885 ( -8.907 0.000 0.103) 8.908 20.114 ( -0.503 0.000 -2.147) 2.205 20.136 ( -0.751 0.000 1.973) 2.111 20.307 ( 5.313 0.000 0.274) 5.320 20.386 ( 4.042 0.000 -0.724) 4.106 20.763 ( 25.458 0.000 12.602) 28.407 21.089 ( 11.832 0.000 6.741) 13.617 21.225 ( 7.393 0.000 2.018) 7.663 21.493 ( 10.175 0.000 -5.185) 11.419 21.527 ( -0.649 0.000 1.102) 1.279 21.682 ( -3.199 0.000 -0.085) 3.200 22.005 ( 3.696 0.000 6.873) 7.804 22.086 ( 3.302 0.000 -1.926) 3.823 23.239 ( -3.064 0.000 -1.093) 3.253 23.268 ( -2.433 0.000 -0.463) 2.476 23.278 ( -0.935 0.000 1.101) 1.444 23.376 ( -2.502 0.000 -0.750) 2.612 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -5.975 9.731 25.070) 27.548 1.396 ( 7.368 13.586 25.867) 30.133 1.767 ( 7.783 4.258 -22.252) 23.955 1.875 ( -6.188 8.428 -22.746) 25.034 2.182 ( 4.794 18.697 18.545) 26.767 2.324 ( -4.449 2.356 0.306) 5.044 2.576 ( -0.317 -4.471 4.324) 6.228 2.655 ( 2.433 1.540 -1.890) 3.444 2.746 ( 3.667 -13.827 6.523) 15.722 2.860 ( -2.069 -9.458 -1.958) 9.878 2.949 ( -0.356 0.460 3.421) 3.470 2.988 ( 0.499 -3.140 -1.709) 3.609 3.080 ( -4.853 3.119 -2.402) 6.249 3.116 ( 4.959 -0.047 -5.716) 7.568 3.232 ( -0.703 1.631 6.735) 6.966 3.348 ( -1.371 -0.034 6.607) 6.748 3.393 ( -2.491 -0.517 -2.542) 3.597 3.498 ( -0.265 0.400 -4.506) 4.532 3.616 ( -3.310 2.311 1.607) 4.345 3.684 ( -5.440 0.767 -0.488) 5.515 3.693 ( 2.065 -0.165 -0.414) 2.113 3.710 ( 3.708 -0.123 1.203) 3.900 3.753 ( 1.362 6.564 -0.452) 6.719 3.806 ( 1.315 7.153 -4.091) 8.345 3.887 ( -9.696 3.657 -0.073) 10.363 3.931 ( 5.170 2.425 1.081) 5.812 4.004 ( 4.236 3.478 -3.521) 6.514 4.037 ( -0.711 1.401 1.316) 2.049 4.141 ( -1.227 4.746 -3.336) 5.929 4.144 ( 5.696 4.701 -7.052) 10.212 4.279 ( -3.857 0.873 -0.736) 4.022 4.303 ( 2.444 0.539 -4.059) 4.769 4.362 ( 3.252 1.563 1.036) 3.754 4.404 ( -4.227 -1.058 -2.943) 5.258 4.452 ( 1.409 0.686 2.052) 2.582 4.534 ( -6.807 -0.692 -5.225) 8.609 4.609 ( 0.006 0.415 8.955) 8.964 4.639 ( -2.832 3.244 2.102) 4.792 4.650 ( 1.334 4.654 0.625) 4.881 4.779 ( 2.514 1.998 -6.490) 7.241 4.837 ( -5.274 -8.603 0.801) 10.122 4.883 ( 7.305 -5.036 -1.268) 8.963 4.982 ( -0.562 -4.495 0.416) 4.549 5.019 ( 2.178 -4.433 -3.141) 5.853 5.096 ( 3.619 -3.102 3.933) 6.180 5.185 ( -3.503 -0.193 -2.803) 4.490 5.258 ( -0.951 -4.787 3.758) 6.160 5.301 ( 1.559 -4.450 -0.413) 4.733 5.400 ( 0.673 -1.821 2.534) 3.192 5.425 ( -3.115 -0.563 -0.021) 3.165 5.627 ( 3.114 -3.998 7.599) 9.133 5.714 ( 2.691 -5.206 2.113) 6.229 5.902 ( -0.378 -3.285 -5.526) 6.440 5.923 ( 0.147 0.265 -3.058) 3.073 6.085 ( 5.356 -5.178 -1.947) 7.700 6.136 ( -4.632 1.907 -4.687) 6.860 6.241 ( 0.714 -7.554 2.161) 7.889 6.323 ( -3.044 -11.225 -5.752) 12.975 6.522 ( -4.603 2.207 5.514) 7.514 6.611 ( -1.849 -0.962 6.960) 7.265 6.667 ( 1.987 -5.843 -5.281) 8.123 6.712 ( 1.939 -5.845 -6.863) 9.221 6.825 ( -3.214 1.148 4.539) 5.679 6.864 ( -0.101 4.662 1.498) 4.898 6.932 ( -1.475 -1.530 3.530) 4.121 7.009 ( 5.647 3.597 -2.822) 7.266 7.129 ( -2.861 -2.495 4.354) 5.776 7.153 ( -0.480 9.443 2.928) 9.898 7.199 ( 2.789 -0.457 -0.647) 2.900 7.212 ( -1.360 2.811 0.803) 3.224 7.307 ( 2.295 3.448 0.585) 4.183 7.410 ( -0.486 3.813 -6.041) 7.161 7.538 ( -3.102 7.992 2.895) 9.048 7.597 ( -3.728 4.774 -2.290) 6.476 7.611 ( 4.706 1.957 3.212) 6.024 7.688 ( -0.034 1.249 -3.380) 3.603 7.846 ( 2.045 4.559 2.198) 5.459 7.917 ( -4.921 0.347 -3.384) 5.982 8.004 ( 8.216 -0.073 9.910) 12.873 8.168 ( -4.546 -2.679 2.674) 5.916 8.188 ( -6.768 -2.434 0.381) 7.203 8.293 ( 3.293 0.215 -1.724) 3.723 8.406 ( 1.736 2.776 3.301) 4.649 8.470 ( -2.703 0.475 -1.929) 3.354 8.510 ( -1.291 0.943 1.707) 2.339 8.607 ( 3.385 2.177 -6.031) 7.250 8.695 ( 2.914 2.681 4.520) 6.009 8.759 ( -0.698 -0.657 -1.514) 1.791 8.847 ( -7.383 -3.179 4.128) 9.037 8.959 ( 9.149 -2.452 -1.155) 9.542 8.966 ( -8.943 -3.892 -3.488) 10.358 8.983 ( -3.998 2.971 2.290) 5.482 8.997 ( 3.092 -3.532 -5.344) 7.113 9.089 ( 5.230 5.685 -4.812) 9.101 9.277 ( -1.022 -3.275 6.669) 7.500 9.393 ( 6.368 -0.238 -5.095) 8.159 9.485 ( 1.142 1.972 5.766) 6.200 9.535 ( -5.803 1.327 2.554) 6.478 9.555 ( 4.993 1.136 0.772) 5.178 9.576 ( -1.576 0.605 -3.248) 3.661 9.840 ( -8.922 1.922 5.525) 10.669 9.943 ( 2.502 1.233 -5.724) 6.368 10.102 ( -4.850 2.069 0.360) 5.285 10.150 ( 4.158 4.110 -4.213) 7.207 10.207 ( -1.681 -6.224 7.138) 9.618 10.371 ( -0.748 -4.742 -4.392) 6.507 10.421 ( 3.064 0.533 -0.448) 3.143 10.439 ( -3.331 1.620 -2.043) 4.230 10.477 ( 0.528 -2.004 -1.439) 2.523 10.506 ( 1.618 -2.294 -0.860) 2.936 10.559 ( 0.116 0.448 -0.303) 0.553 10.609 ( -0.300 0.388 -3.934) 3.965 10.654 ( 2.041 -1.946 0.420) 2.851 10.688 ( -1.581 -1.476 -4.756) 5.225 10.766 ( 3.620 -2.676 4.197) 6.155 10.834 ( -1.991 -0.461 -2.368) 3.128 10.939 ( 0.162 2.650 0.315) 2.674 10.950 ( 2.905 2.517 -0.278) 3.853 11.151 ( -2.048 2.855 3.753) 5.141 11.209 ( 3.833 -1.546 -0.474) 4.160 11.247 ( -3.007 -1.599 2.337) 4.131 11.298 ( 2.411 -2.121 -3.100) 4.463 11.438 ( 0.707 -2.360 3.600) 4.362 11.495 ( 1.100 -4.006 -0.521) 4.187 11.545 ( -4.368 0.739 3.465) 5.624 11.617 ( 3.006 -0.599 -2.332) 3.851 11.679 ( -2.476 -0.178 4.457) 5.102 11.756 ( 0.732 1.806 -3.017) 3.592 12.022 ( -0.325 -4.601 -3.177) 5.601 12.027 ( 0.108 -3.620 -2.981) 4.691 12.277 ( 0.372 2.432 6.212) 6.682 12.362 ( -0.428 5.594 -2.483) 6.135 12.397 ( -1.213 2.241 4.416) 5.098 12.499 ( -1.037 6.139 -5.330) 8.196 12.724 ( -0.332 0.632 -1.907) 2.037 12.733 ( 0.899 -1.743 -2.663) 3.308 13.624 ( -4.598 4.362 8.374) 10.502 13.768 ( 4.470 6.601 -7.463) 10.921 13.906 ( -0.196 -3.817 3.285) 5.040 13.957 ( 0.232 -2.755 -2.368) 3.640 14.207 ( 2.355 0.534 4.166) 4.815 14.260 ( -1.581 -2.752 -0.577) 3.226 14.431 ( 0.647 -6.088 1.172) 6.234 14.490 ( -0.037 -6.313 -3.884) 7.412 14.834 ( 2.398 6.640 4.972) 8.635 14.931 ( 0.598 2.260 -4.774) 5.316 15.216 ( -3.204 -0.407 3.032) 4.430 15.257 ( 0.696 0.706 -1.518) 1.814 15.700 ( -0.662 3.602 1.962) 4.155 15.730 ( 0.823 4.494 -1.060) 4.690 16.214 ( 1.776 -7.646 5.722) 9.714 16.278 ( -1.529 -5.080 -1.794) 5.600 17.619 ( -1.985 3.889 0.691) 4.421 17.651 ( 3.129 3.248 -2.155) 4.998 17.941 ( -0.678 -3.927 0.719) 4.049 17.967 ( -0.890 -3.640 -2.041) 4.266 18.621 ( -0.445 10.207 2.515) 10.521 18.674 ( -0.397 11.697 -3.107) 12.109 18.883 ( -2.121 1.885 5.895) 6.542 19.033 ( 0.977 1.237 -9.190) 9.324 19.247 ( -7.926 -1.634 4.882) 9.451 19.311 ( 6.563 -0.291 -2.064) 6.886 19.719 ( -0.803 2.469 3.347) 4.236 19.791 ( 0.300 3.737 -3.614) 5.207 20.101 ( -1.765 -0.996 0.986) 2.254 20.121 ( 1.962 -0.267 -1.121) 2.275 20.340 ( 1.846 -4.653 0.219) 5.010 20.350 ( -0.961 -4.678 -0.630) 4.818 21.131 ( 0.619 -4.302 2.388) 4.959 21.155 ( -0.855 -3.675 -0.606) 3.821 21.310 ( 4.855 -5.353 2.185) 7.550 21.349 ( 0.592 -7.837 -1.627) 8.026 21.662 ( -3.831 5.708 0.318) 6.882 21.702 ( 1.348 4.790 -3.751) 6.232 22.065 ( -1.148 0.046 5.500) 5.619 22.160 ( 3.129 0.955 -5.054) 6.020 23.211 ( 0.391 0.756 1.492) 1.718 23.238 ( -0.878 0.919 -1.308) 1.823 23.281 ( 1.499 -0.931 1.910) 2.600 23.318 ( -1.432 -0.991 -1.827) 2.524 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 10.065 8.984 17.417) 22.031 1.689 ( 6.106 7.199 -17.053) 19.491 1.795 ( 14.565 12.465 10.250) 21.739 1.863 ( 13.299 10.318 -13.945) 21.858 2.316 ( 5.433 -0.207 0.483) 5.459 2.439 ( 7.090 -2.288 -0.928) 7.508 2.630 ( 5.198 10.275 2.765) 11.842 2.684 ( 0.936 -1.029 -4.457) 4.669 2.803 ( 1.237 -10.450 -0.072) 10.523 2.860 ( -2.800 -2.517 -2.808) 4.697 2.963 ( -2.496 -0.623 -1.298) 2.882 2.974 ( 6.421 -9.161 6.509) 12.943 2.998 ( -0.094 -7.767 -0.756) 7.804 3.191 ( 3.236 0.024 -2.799) 4.278 3.237 ( -4.087 0.135 2.233) 4.659 3.333 ( 0.334 1.735 8.456) 8.639 3.386 ( 0.063 -3.067 5.714) 6.486 3.522 ( -5.491 0.969 2.870) 6.271 3.543 ( -3.533 4.598 -0.195) 5.802 3.643 ( 5.659 7.750 1.247) 9.677 3.679 ( 0.355 2.391 -0.276) 2.433 3.717 ( -1.177 -2.214 -1.117) 2.745 3.793 ( 3.655 5.366 0.526) 6.514 3.844 ( 1.769 0.060 -1.072) 2.069 3.892 ( 7.399 7.856 -3.525) 11.353 3.960 ( -3.907 2.429 -2.966) 5.474 4.008 ( -1.647 4.385 -2.994) 5.559 4.029 ( -8.488 0.975 0.279) 8.549 4.060 ( 3.369 3.091 0.249) 4.579 4.209 ( 6.916 3.076 -3.817) 8.477 4.272 ( 0.960 3.123 -1.579) 3.629 4.316 ( 2.079 6.031 -0.978) 6.453 4.382 ( 5.863 0.004 2.594) 6.412 4.401 ( 2.732 -2.520 1.389) 3.968 4.448 ( 0.196 3.545 1.616) 3.901 4.570 ( -0.130 4.344 3.049) 5.309 4.593 ( 1.097 -1.646 -1.701) 2.609 4.661 ( 5.127 4.144 3.029) 7.256 4.728 ( 0.157 -2.239 1.302) 2.595 4.753 ( 0.548 -4.116 1.607) 4.452 4.819 ( 5.914 1.811 -3.033) 6.888 4.920 ( -0.548 2.429 -2.595) 3.596 5.046 ( 1.696 -2.775 -6.970) 7.692 5.066 ( 4.392 -4.534 0.611) 6.341 5.115 ( 1.369 -9.555 -0.953) 9.700 5.188 ( 0.465 0.613 5.024) 5.083 5.227 ( -1.609 0.098 0.963) 1.877 5.354 ( 5.672 -4.251 -1.977) 7.359 5.448 ( 5.704 0.213 2.462) 6.216 5.560 ( 6.953 -7.555 2.559) 10.582 5.679 ( -2.665 -2.275 -1.598) 3.851 5.712 ( 1.326 -3.812 -9.809) 10.607 5.881 ( 1.312 -4.001 0.603) 4.254 5.963 ( -2.655 -1.315 -7.013) 7.613 5.974 ( 1.660 -4.657 1.619) 5.203 6.127 ( -3.314 2.193 2.590) 4.744 6.205 ( -0.968 -10.626 -1.740) 10.811 6.320 ( 2.488 -10.474 2.043) 10.958 6.467 ( -4.737 2.371 6.671) 8.518 6.533 ( -8.502 -5.956 4.925) 11.490 6.594 ( -11.349 4.053 -1.500) 12.144 6.656 ( -1.088 -4.897 -2.775) 5.733 6.792 ( -3.052 3.337 2.779) 5.308 6.836 ( -1.828 -1.535 2.012) 3.122 6.917 ( -1.670 -0.759 2.093) 2.783 7.011 ( -1.665 3.494 -1.412) 4.120 7.127 ( -1.142 5.785 2.479) 6.397 7.147 ( -1.913 -2.322 1.484) 3.354 7.168 ( -3.376 1.550 -6.998) 7.923 7.252 ( 2.578 2.041 4.497) 5.571 7.335 ( -2.507 5.723 3.866) 7.348 7.337 ( 0.595 0.898 -6.800) 6.885 7.491 ( -1.942 9.154 -0.621) 9.378 7.509 ( -3.888 3.989 1.724) 5.831 7.628 ( -6.139 5.371 -3.628) 8.927 7.725 ( -0.531 2.756 1.388) 3.131 7.742 ( -1.525 0.208 1.370) 2.060 7.931 ( -3.887 0.845 -0.268) 3.987 7.981 ( -4.784 -7.241 -3.396) 9.319 8.070 ( -7.741 1.503 5.193) 9.442 8.220 ( 3.493 -1.795 10.332) 11.053 8.310 ( -3.506 -3.916 -2.199) 5.697 8.345 ( -5.163 3.693 -2.139) 6.699 8.384 ( -4.230 5.379 2.934) 7.445 8.497 ( -10.197 3.464 -1.957) 10.946 8.637 ( -2.083 -2.631 -1.582) 3.710 8.646 ( -7.107 -1.344 -3.713) 8.130 8.736 ( -2.596 1.592 10.435) 10.871 8.777 ( 8.728 -0.852 -2.112) 9.020 8.838 ( 2.109 1.882 -6.098) 6.721 8.940 ( -1.867 2.660 5.884) 6.722 9.005 ( -0.792 -1.607 -1.667) 2.447 9.097 ( 3.441 -5.407 -0.781) 6.457 9.179 ( 7.153 4.108 -2.845) 8.726 9.275 ( -1.090 -1.246 -0.033) 1.656 9.393 ( -0.442 -0.843 -4.768) 4.862 9.482 ( 0.588 0.530 1.956) 2.110 9.565 ( 0.865 2.499 2.607) 3.713 9.636 ( 3.677 -0.043 -1.681) 4.043 9.684 ( 10.465 -4.106 -6.069) 12.775 9.786 ( -2.732 3.602 6.912) 8.259 9.942 ( -1.896 1.792 6.336) 6.852 10.063 ( 3.693 1.324 -4.646) 6.081 10.181 ( 1.320 6.389 -0.617) 6.553 10.235 ( -2.832 -1.264 7.147) 7.791 10.325 ( -0.934 0.004 -1.455) 1.729 10.421 ( 2.871 -3.356 -2.292) 4.976 10.439 ( 1.406 0.922 0.893) 1.904 10.485 ( 0.814 -1.220 -1.187) 1.887 10.513 ( 0.701 -1.301 -1.489) 2.098 10.590 ( 1.806 -1.286 2.855) 3.615 10.647 ( 0.924 -2.520 -1.093) 2.898 10.658 ( 4.251 0.520 -1.764) 4.632 10.733 ( 0.013 0.137 -0.928) 0.938 10.766 ( 2.059 -7.115 -3.135) 8.043 10.882 ( 4.021 0.383 0.821) 4.122 10.950 ( 3.098 1.678 -2.754) 4.472 10.968 ( -0.401 0.618 -2.027) 2.157 11.167 ( 1.018 0.422 0.474) 1.199 11.203 ( -1.933 0.110 1.486) 2.440 11.295 ( 4.615 -2.792 -3.225) 6.284 11.342 ( 0.899 -3.041 -0.922) 3.303 11.389 ( -2.632 -0.104 -1.093) 2.852 11.462 ( -5.583 1.767 2.589) 6.402 11.527 ( 0.133 -2.478 1.968) 3.168 11.635 ( 3.368 -5.227 0.273) 6.224 11.748 ( 5.433 1.334 -0.187) 5.598 11.817 ( 4.533 -0.745 1.084) 4.720 11.963 ( -2.234 -1.195 -2.097) 3.289 12.050 ( 1.622 -4.347 -0.048) 4.640 12.301 ( -2.524 2.613 3.190) 4.834 12.332 ( -0.742 4.641 -0.354) 4.713 12.395 ( -0.660 5.855 0.411) 5.906 12.506 ( 2.402 1.300 2.448) 3.667 12.678 ( -1.811 1.243 -0.806) 2.340 12.729 ( -0.623 -0.582 -1.862) 2.048 13.613 ( -1.678 5.339 7.408) 9.285 13.851 ( 4.235 -3.291 -3.142) 6.216 13.891 ( 1.000 2.195 -3.409) 4.176 13.946 ( -0.193 -3.101 0.131) 3.110 14.201 ( -2.757 -1.369 -3.464) 4.634 14.245 ( -0.640 -0.163 2.750) 2.828 14.428 ( 0.210 -6.936 0.225) 6.942 14.507 ( 1.673 -8.569 -1.903) 8.935 14.866 ( -0.486 5.007 -4.976) 7.076 14.923 ( 2.236 4.491 -0.009) 5.017 15.159 ( -1.013 4.030 2.901) 5.067 15.380 ( 6.746 -1.982 1.014) 7.104 15.664 ( -2.945 3.391 1.368) 4.695 15.729 ( -0.665 4.932 -1.564) 5.216 16.171 ( -4.661 -5.401 -0.442) 7.148 16.261 ( -1.874 -4.187 1.925) 4.975 17.592 ( 0.249 4.079 -0.236) 4.093 17.739 ( 5.868 2.229 -2.113) 6.623 18.001 ( 4.799 -6.097 1.064) 7.832 18.031 ( 7.024 -2.887 0.474) 7.609 18.616 ( -0.631 9.619 0.602) 9.658 18.660 ( -0.670 14.495 1.026) 14.547 18.941 ( 3.767 1.432 5.186) 6.568 19.056 ( 5.813 0.391 -4.251) 7.212 19.173 ( -1.989 -0.521 3.706) 4.238 19.455 ( 8.291 -4.629 -0.287) 9.500 19.737 ( 2.552 2.658 1.213) 3.879 19.878 ( 8.037 2.995 0.067) 8.577 20.082 ( -0.130 -2.263 0.134) 2.271 20.174 ( 2.837 0.184 -1.103) 3.049 20.273 ( -6.068 -5.100 -1.766) 8.121 20.340 ( -0.791 -2.799 -0.433) 2.940 20.886 ( -15.994 -0.039 -1.890) 16.106 21.129 ( -9.744 -8.912 0.918) 13.236 21.223 ( -5.303 -1.101 -5.026) 7.389 21.325 ( -6.839 -5.711 -1.798) 9.090 21.625 ( -1.466 4.481 2.155) 5.184 21.711 ( 0.661 2.492 1.047) 2.783 22.034 ( -4.803 0.309 3.606) 6.014 22.123 ( -3.188 0.570 -5.557) 6.432 23.236 ( 1.442 0.460 -0.560) 1.614 23.263 ( 3.290 0.846 1.010) 3.544 23.297 ( 0.590 -0.794 -1.626) 1.903 23.346 ( 3.628 -0.889 1.451) 4.008 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 20.538 9.181 -13.434) 26.203 1.860 ( 18.850 7.586 5.722) 21.109 2.039 ( 17.023 8.704 -11.174) 22.145 2.234 ( 16.177 10.385 14.808) 24.265 2.401 ( -0.216 -5.729 2.509) 6.258 2.522 ( 7.232 -3.879 -3.958) 9.111 2.608 ( -5.127 -3.241 -2.091) 6.416 2.719 ( 1.881 -1.425 -3.722) 4.407 2.785 ( 1.414 0.380 -0.070) 1.466 2.871 ( 1.322 3.033 2.494) 4.143 2.899 ( -1.308 0.010 0.137) 1.315 3.023 ( -3.024 -7.320 2.238) 8.230 3.151 ( -4.705 1.561 -1.621) 5.216 3.165 ( 0.709 -11.920 3.472) 12.436 3.219 ( 1.973 -7.708 5.229) 9.521 3.356 ( -2.241 -6.641 5.226) 8.743 3.361 ( -5.902 0.093 -2.407) 6.375 3.405 ( -10.445 -4.850 6.455) 13.202 3.488 ( -1.705 -1.981 -1.312) 2.925 3.583 ( -7.141 0.798 1.142) 7.275 3.728 ( -0.209 3.629 0.994) 3.768 3.773 ( 8.781 7.629 -4.632) 12.520 3.811 ( 7.426 4.123 -3.192) 9.073 3.840 ( -2.024 6.112 -0.137) 6.440 3.892 ( 5.528 6.122 -2.405) 8.592 3.997 ( 4.712 3.906 -2.608) 6.653 4.081 ( -0.347 2.422 1.210) 2.730 4.114 ( 9.031 3.557 1.922) 9.895 4.190 ( 1.868 4.721 -0.147) 5.079 4.220 ( 11.645 5.794 -2.103) 13.175 4.321 ( 3.160 5.658 -0.980) 6.555 4.353 ( 0.080 2.801 1.893) 3.381 4.455 ( 2.393 0.776 -2.103) 3.279 4.499 ( 5.910 -2.010 -0.420) 6.257 4.565 ( -2.131 0.923 -4.817) 5.348 4.604 ( 10.355 4.309 -0.372) 11.222 4.635 ( 4.877 1.416 1.732) 5.366 4.724 ( 2.640 -0.033 6.930) 7.416 4.751 ( 3.005 1.618 -1.265) 3.640 4.867 ( 1.102 2.471 -2.845) 3.926 4.936 ( 7.193 4.691 6.428) 10.727 4.957 ( 9.504 3.343 3.854) 10.786 5.025 ( -0.695 -1.241 -1.058) 1.773 5.113 ( 0.223 -8.724 -0.608) 8.748 5.154 ( 3.416 -0.325 -0.528) 3.472 5.230 ( -2.498 -2.316 0.835) 3.507 5.254 ( 1.888 2.676 3.948) 5.130 5.407 ( 5.000 -3.979 -6.783) 9.319 5.510 ( -2.553 6.771 -4.268) 8.401 5.601 ( 4.388 -6.062 -0.675) 7.514 5.651 ( -1.741 -10.596 1.692) 10.871 5.749 ( 7.083 -3.609 -6.831) 10.481 5.876 ( 2.266 -4.048 -3.486) 5.803 5.950 ( 0.246 -5.720 3.285) 6.601 5.983 ( -1.089 -3.942 -4.108) 5.797 6.079 ( -9.485 2.466 9.064) 13.349 6.130 ( -11.392 5.071 -4.561) 13.277 6.293 ( -0.227 -0.077 2.576) 2.587 6.319 ( -6.746 5.496 2.468) 9.045 6.480 ( -2.255 -6.616 4.816) 8.488 6.554 ( 6.396 -10.304 2.949) 12.481 6.611 ( -0.104 -6.914 -0.053) 6.915 6.742 ( -3.281 0.910 -0.003) 3.405 6.818 ( -2.203 -2.247 2.165) 3.819 6.885 ( -2.744 -7.129 1.294) 7.748 6.958 ( -2.952 3.592 -2.952) 5.507 7.054 ( -3.431 0.119 -1.519) 3.755 7.103 ( -1.129 0.424 3.375) 3.584 7.124 ( -2.546 5.607 -1.222) 6.278 7.243 ( -6.856 -0.130 -1.282) 6.976 7.278 ( -1.239 4.828 -5.878) 7.707 7.349 ( 2.369 -1.470 -0.011) 2.788 7.432 ( -7.269 2.731 5.050) 9.263 7.445 ( -4.373 11.517 -2.457) 12.562 7.480 ( -0.001 2.576 0.658) 2.659 7.695 ( -2.181 -1.667 -0.553) 2.801 7.733 ( -8.224 1.862 -3.288) 9.051 7.761 ( -0.817 0.332 4.266) 4.356 7.890 ( -7.438 0.070 2.828) 7.958 8.018 ( -2.016 -1.070 2.931) 3.715 8.113 ( -13.261 -1.197 2.347) 13.520 8.175 ( -8.507 -0.118 -4.117) 9.451 8.232 ( -6.437 1.354 -1.259) 6.697 8.287 ( -3.077 3.922 1.414) 5.182 8.407 ( -4.030 -1.977 4.149) 6.112 8.458 ( -3.599 2.588 -2.479) 5.079 8.571 ( -6.433 1.545 3.085) 7.299 8.722 ( -3.284 -0.633 -1.902) 3.848 8.802 ( -3.317 0.551 -0.126) 3.365 8.858 ( -1.726 -1.286 -1.823) 2.821 9.036 ( 3.948 0.213 4.316) 5.853 9.072 ( 11.184 -1.418 -1.721) 11.404 9.197 ( 7.689 -0.528 -1.484) 7.849 9.249 ( 0.255 -3.323 -2.626) 4.243 9.319 ( 5.321 3.649 1.753) 6.686 9.403 ( 4.299 0.525 -3.088) 5.319 9.526 ( -3.878 0.715 1.826) 4.345 9.541 ( 4.060 1.912 -1.571) 4.755 9.619 ( -0.860 -1.293 -2.127) 2.634 9.771 ( -1.435 3.934 2.437) 4.845 9.855 ( 7.587 -6.967 -6.208) 12.027 9.955 ( -1.216 -0.112 4.968) 5.116 10.088 ( 1.316 4.832 -6.438) 8.156 10.183 ( -3.873 3.816 -0.544) 5.465 10.276 ( 5.867 4.651 4.837) 8.914 10.320 ( -0.545 -0.089 5.640) 5.667 10.451 ( -2.175 1.832 0.335) 2.864 10.492 ( 5.157 -3.202 1.660) 6.293 10.531 ( 4.564 -3.290 2.696) 6.239 10.564 ( 1.256 -0.820 -1.992) 2.493 10.608 ( 1.292 -2.038 2.008) 3.139 10.669 ( 1.618 -0.526 -0.568) 1.794 10.707 ( 1.875 -0.685 -0.081) 1.998 10.757 ( 4.553 -0.295 -0.879) 4.647 10.811 ( 1.391 -1.441 1.318) 2.397 10.923 ( -1.887 -2.225 -0.576) 2.974 10.927 ( 0.952 4.105 -2.145) 4.729 11.054 ( 6.153 -2.858 -1.238) 6.896 11.137 ( -2.383 -0.629 -0.556) 2.527 11.189 ( -1.679 -1.514 -2.423) 3.314 11.255 ( -4.323 -0.753 -1.229) 4.557 11.319 ( 0.298 -4.937 -1.964) 5.322 11.376 ( -3.270 2.257 0.749) 4.044 11.411 ( -0.854 -0.956 2.253) 2.593 11.591 ( 5.254 -4.660 3.030) 7.648 11.701 ( 3.329 -6.019 -2.514) 7.324 11.853 ( 2.728 0.694 -2.076) 3.498 11.895 ( 2.367 0.721 3.281) 4.110 11.938 ( 3.214 2.160 -2.144) 4.426 12.077 ( -0.061 -4.207 1.070) 4.341 12.223 ( -5.831 4.409 1.029) 7.382 12.306 ( -1.744 4.014 -0.161) 4.380 12.405 ( 1.721 5.189 -1.513) 5.673 12.543 ( -2.822 -3.179 6.146) 7.472 12.680 ( 1.224 0.244 -2.746) 3.016 12.720 ( 1.833 6.124 4.571) 7.859 13.634 ( -1.238 2.675 7.354) 7.923 13.817 ( -1.898 -4.811 0.439) 5.190 13.938 ( 1.931 -3.589 -2.173) 4.619 14.004 ( 5.960 1.747 -1.918) 6.500 14.123 ( -2.693 -1.541 -4.650) 5.590 14.230 ( -1.873 0.230 0.309) 1.912 14.436 ( 0.939 -6.653 -2.768) 7.267 14.507 ( -1.270 -7.795 0.733) 7.932 14.838 ( 2.568 3.455 -4.726) 6.393 14.990 ( 3.234 1.834 1.517) 4.016 15.189 ( 1.430 5.308 2.515) 6.045 15.448 ( 0.734 0.978 -2.298) 2.604 15.635 ( -1.685 -0.216 1.245) 2.106 15.675 ( -2.991 5.466 -3.775) 7.285 16.108 ( -0.117 -2.840 -1.846) 3.389 16.223 ( -3.262 -1.916 2.993) 4.824 17.630 ( 3.479 3.587 -0.058) 4.997 17.824 ( 3.777 0.823 -3.161) 4.993 18.116 ( 5.183 -6.589 2.123) 8.648 18.170 ( 5.414 -3.489 1.901) 6.716 18.615 ( 0.667 10.415 -0.891) 10.474 18.652 ( -1.056 13.785 1.594) 13.917 19.068 ( 4.776 -0.962 7.139) 8.643 19.197 ( 9.012 -1.472 0.554) 9.148 19.227 ( 5.273 0.955 3.150) 6.216 19.609 ( 7.239 -6.920 -0.416) 10.023 19.842 ( 6.247 2.618 2.349) 7.169 20.007 ( -1.015 -6.598 -5.745) 8.807 20.085 ( -0.590 -2.525 2.043) 3.301 20.124 ( -4.002 -3.063 0.918) 5.123 20.205 ( 4.582 4.587 -1.665) 6.694 20.348 ( 0.964 2.849 -1.220) 3.246 20.609 ( -6.780 1.676 -4.665) 8.399 20.837 ( -16.010 -3.804 -5.792) 17.445 21.054 ( -10.790 -2.143 -3.452) 11.530 21.138 ( -10.641 -6.191 0.877) 12.343 21.584 ( -3.222 5.058 2.844) 6.637 21.734 ( -0.223 0.234 1.832) 1.860 21.932 ( -7.365 0.981 3.371) 8.159 22.002 ( -4.354 -0.799 -5.850) 7.336 23.283 ( 2.936 -0.039 1.007) 3.104 23.305 ( 1.530 -0.616 -0.533) 1.734 23.336 ( 2.729 1.050 -0.141) 2.928 23.420 ( 3.018 -1.036 -0.132) 3.194 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 23.677 7.188 -5.309) 25.308 2.266 ( 16.380 1.259 0.492) 16.435 2.306 ( 11.589 3.771 -5.623) 13.422 2.387 ( 0.545 -0.701 6.621) 6.680 2.489 ( -5.128 0.254 1.842) 5.455 2.578 ( 0.095 0.827 2.152) 2.308 2.606 ( 1.962 -0.461 2.175) 2.965 2.762 ( 1.083 -1.624 2.877) 3.477 2.782 ( 6.231 0.378 0.055) 6.243 2.854 ( -9.712 -3.630 0.651) 10.389 2.894 ( -9.342 -3.032 2.074) 10.038 2.929 ( 1.493 2.879 -1.841) 3.729 2.985 ( -5.096 -0.498 -3.481) 6.191 3.065 ( -0.094 6.447 0.726) 6.488 3.124 ( -8.246 0.162 -1.001) 8.308 3.144 ( -7.735 -8.800 11.069) 16.118 3.378 ( -0.103 -4.376 4.517) 6.289 3.498 ( 5.133 -9.188 -4.130) 11.306 3.543 ( 6.194 -7.935 1.858) 10.237 3.617 ( 0.467 -0.207 7.189) 7.207 3.630 ( -2.043 1.397 -0.770) 2.592 3.801 ( 0.446 -3.149 -7.508) 8.154 3.854 ( -4.617 -2.339 -3.810) 6.427 3.911 ( 0.878 -0.180 0.010) 0.896 3.945 ( 4.740 6.016 -0.319) 7.666 4.026 ( 0.341 7.394 -1.391) 7.531 4.109 ( 3.270 6.248 0.219) 7.055 4.237 ( 4.492 7.732 -0.876) 8.984 4.274 ( -1.531 2.349 2.125) 3.518 4.297 ( -0.140 2.549 -0.045) 2.553 4.377 ( 0.478 7.956 -4.519) 9.162 4.416 ( 8.078 3.717 0.144) 8.893 4.484 ( 0.538 3.286 -5.421) 6.362 4.553 ( 1.312 5.891 -2.528) 6.543 4.578 ( 2.383 -1.807 4.712) 5.581 4.681 ( -0.614 -1.562 0.040) 1.679 4.752 ( 3.862 1.288 5.269) 6.659 4.786 ( 0.220 4.142 -3.555) 5.463 4.821 ( -0.196 1.561 -4.811) 5.061 4.864 ( 8.333 4.279 -2.900) 9.806 5.020 ( 1.775 -1.680 -0.036) 2.444 5.075 ( -2.887 -0.822 -3.007) 4.248 5.099 ( -4.294 -0.538 2.393) 4.945 5.136 ( 0.608 -1.880 0.602) 2.065 5.157 ( 6.048 2.343 -0.043) 6.486 5.243 ( 2.686 4.259 -3.970) 6.412 5.321 ( 3.571 0.790 5.655) 6.734 5.450 ( -6.154 -0.361 1.763) 6.412 5.565 ( 7.315 -1.771 -6.149) 9.719 5.605 ( -0.044 -0.505 8.205) 8.221 5.639 ( 1.518 2.679 4.918) 5.802 5.769 ( 0.292 1.783 -1.570) 2.393 5.842 ( -5.130 -2.477 0.228) 5.701 5.896 ( 1.794 0.595 -0.980) 2.129 5.931 ( 5.295 -1.851 3.545) 6.636 6.051 ( 5.956 -3.950 3.529) 7.971 6.162 ( -3.471 5.250 3.217) 7.068 6.235 ( -3.145 -5.573 1.420) 6.555 6.284 ( 1.610 0.792 1.419) 2.288 6.385 ( -5.926 -6.292 -3.561) 9.348 6.616 ( -5.293 4.403 0.362) 6.894 6.660 ( 2.025 -6.184 -3.247) 7.272 6.713 ( 2.853 -8.085 -5.062) 9.957 6.765 ( -3.579 -8.952 -4.143) 10.494 6.824 ( -1.833 -3.705 2.678) 4.926 6.903 ( -2.783 -0.359 2.980) 4.093 6.963 ( -3.387 -2.517 -3.772) 5.660 7.017 ( -3.212 3.514 -2.287) 5.282 7.090 ( -3.614 1.799 -0.958) 4.149 7.194 ( 2.744 1.316 -1.360) 3.333 7.241 ( 2.473 -0.941 -5.253) 5.881 7.338 ( -3.408 -2.353 1.380) 4.365 7.361 ( -1.693 1.952 3.025) 3.978 7.424 ( 0.760 5.125 10.213) 11.452 7.511 ( 1.859 1.701 -5.508) 6.057 7.580 ( -3.161 -1.080 3.617) 4.923 7.696 ( -3.221 -1.476 7.223) 8.045 7.763 ( -4.445 1.752 -3.335) 5.827 7.778 ( 0.066 0.751 2.718) 2.820 7.851 ( -8.574 -0.380 -3.240) 9.174 8.022 ( -2.255 3.949 2.784) 5.332 8.068 ( -0.160 5.049 6.285) 8.063 8.139 ( -3.097 -2.145 -1.623) 4.102 8.207 ( -3.582 1.844 -3.850) 5.573 8.329 ( -0.871 -2.339 3.018) 3.917 8.458 ( 0.258 5.874 -3.312) 6.748 8.495 ( -1.900 2.682 3.237) 4.613 8.618 ( -4.280 -0.941 -3.348) 5.515 8.754 ( -1.130 -1.061 0.855) 1.770 8.811 ( -0.891 0.143 -3.288) 3.410 9.114 ( 1.891 -3.249 3.368) 5.047 9.192 ( 1.328 -6.685 -1.487) 6.976 9.253 ( -4.255 0.651 4.375) 6.138 9.272 ( 4.662 2.532 -4.766) 7.132 9.405 ( 3.726 -0.512 0.549) 3.800 9.472 ( 0.329 -0.161 -1.039) 1.102 9.523 ( 2.897 1.861 -1.286) 3.675 9.548 ( -0.451 -1.439 -1.429) 2.077 9.674 ( 7.198 1.173 -1.980) 7.557 9.751 ( -2.879 3.629 0.665) 4.680 9.917 ( 2.058 -1.287 -3.086) 3.926 9.968 ( 1.468 0.230 -0.882) 1.728 10.040 ( -4.185 2.179 1.622) 4.990 10.105 ( -0.912 2.102 -2.720) 3.557 10.349 ( 0.045 0.093 7.254) 7.255 10.411 ( -0.306 0.247 0.321) 0.508 10.430 ( 3.849 2.645 2.007) 5.083 10.516 ( -1.611 -3.358 0.053) 3.724 10.563 ( -0.979 -1.095 -0.463) 1.539 10.647 ( 7.410 -1.317 -3.065) 8.126 10.675 ( -0.345 0.276 0.352) 0.565 10.695 ( -0.534 1.848 -2.133) 2.872 10.752 ( 4.931 -1.977 3.790) 6.526 10.833 ( 1.395 1.518 2.221) 3.031 10.849 ( 2.826 3.604 0.008) 4.580 10.892 ( 0.197 -2.234 -0.203) 2.252 10.964 ( 1.531 0.533 1.063) 1.938 11.039 ( -1.977 -1.533 0.255) 2.514 11.104 ( -3.564 -0.292 -4.977) 6.128 11.155 ( 0.789 -3.187 -0.559) 3.330 11.211 ( 0.199 -0.369 1.499) 1.556 11.279 ( -4.580 -1.281 0.646) 4.800 11.353 ( 1.275 -3.290 -1.991) 4.051 11.378 ( -2.606 -2.635 1.528) 4.009 11.717 ( 2.470 -5.268 3.704) 6.897 11.765 ( 6.441 -5.846 -2.694) 9.106 11.822 ( -1.558 0.475 -0.626) 1.745 11.951 ( 0.319 3.896 1.691) 4.259 12.007 ( -4.977 0.737 -1.101) 5.151 12.021 ( 2.706 -0.871 -1.537) 3.232 12.171 ( 0.179 3.131 1.609) 3.525 12.262 ( -1.696 3.057 -2.138) 4.098 12.437 ( 2.287 1.802 -1.777) 3.411 12.493 ( -3.458 -2.220 1.462) 4.361 12.698 ( 0.535 6.095 5.704) 8.365 12.805 ( 2.800 5.780 0.462) 6.439 13.665 ( -0.791 -0.018 9.539) 9.571 13.818 ( 1.366 -5.051 0.668) 5.275 13.964 ( 1.556 -4.672 -0.765) 4.983 14.029 ( -3.764 -5.505 -5.384) 8.571 14.090 ( 3.593 1.669 -1.031) 4.094 14.177 ( -2.697 0.290 -2.130) 3.449 14.433 ( 0.451 -4.133 -1.180) 4.322 14.482 ( -0.514 -2.792 -1.803) 3.363 14.914 ( 5.345 0.087 1.149) 5.468 15.035 ( 0.071 0.725 -0.699) 1.010 15.239 ( 2.128 0.947 3.754) 4.418 15.425 ( -1.217 0.128 -3.866) 4.055 15.568 ( -2.898 3.024 -2.943) 5.119 15.594 ( -3.152 6.719 -2.383) 7.795 16.134 ( 0.622 -2.285 2.526) 3.462 16.180 ( -1.074 -0.847 -0.022) 1.368 17.710 ( 3.941 2.930 0.803) 4.975 17.828 ( -1.022 0.408 -3.897) 4.049 18.219 ( 3.549 -4.094 1.811) 5.713 18.242 ( 0.798 -3.711 2.030) 4.304 18.624 ( -0.722 10.246 1.350) 10.359 18.645 ( 1.294 12.563 -2.116) 12.806 19.221 ( 5.998 -4.532 8.811) 11.582 19.348 ( 3.085 -4.652 2.215) 6.005 19.377 ( 6.278 0.559 3.474) 7.196 19.661 ( -3.549 -6.530 -5.247) 9.098 19.889 ( 1.670 -1.020 -3.360) 3.889 19.978 ( 5.579 1.608 3.772) 6.924 20.033 ( -4.433 -2.189 -0.993) 5.043 20.127 ( 2.183 -1.651 1.535) 3.138 20.264 ( -2.260 5.797 -4.549) 7.707 20.386 ( -2.739 1.210 -1.418) 3.313 20.546 ( 2.537 -1.586 -2.071) 3.639 20.640 ( 7.953 -0.510 -2.772) 8.438 20.787 ( -13.134 -2.383 -3.053) 13.693 20.903 ( -13.729 -4.266 -0.867) 14.403 21.571 ( -0.161 3.780 4.688) 6.024 21.715 ( -1.604 2.035 -2.194) 3.396 21.822 ( -5.384 -0.787 5.099) 7.457 21.919 ( -0.207 -1.383 -5.048) 5.238 23.329 ( 0.938 0.031 0.713) 1.178 23.347 ( 1.774 -0.522 0.721) 1.985 23.374 ( 1.577 0.842 0.463) 1.846 23.447 ( 0.087 -0.994 -1.634) 1.915 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -24.470 6.237 8.963) 26.796 2.156 ( -25.981 5.911 5.675) 27.242 2.348 ( -8.509 -1.608 -4.153) 9.604 2.442 ( -1.421 -0.652 -2.194) 2.694 2.562 ( 6.764 1.701 -0.225) 6.978 2.582 ( -1.032 -0.855 -0.263) 1.365 2.674 ( -7.945 -3.117 -4.434) 9.618 2.744 ( -3.432 -0.851 2.092) 4.108 2.784 ( 9.325 0.998 9.096) 13.065 2.850 ( 4.250 2.935 -4.605) 6.920 2.904 ( 4.695 3.260 -2.292) 6.158 2.927 ( 0.282 1.925 -0.026) 1.946 2.980 ( 8.796 -8.429 -2.659) 12.470 3.114 ( 0.575 -2.850 2.106) 3.590 3.121 ( 11.944 4.646 -5.629) 13.997 3.271 ( 11.587 -2.507 1.071) 11.904 3.350 ( -3.309 -2.822 6.362) 7.706 3.526 ( 0.046 -2.767 -4.767) 5.512 3.548 ( -6.077 -5.268 -4.686) 9.308 3.632 ( 1.618 -5.080 -0.273) 5.338 3.657 ( 0.188 -4.571 6.552) 7.992 3.755 ( -1.057 -4.076 -6.517) 7.759 3.774 ( -3.192 -4.837 4.908) 7.594 3.941 ( -4.400 -2.647 0.739) 5.187 3.960 ( -1.571 6.247 6.141) 8.900 3.976 ( 1.561 2.340 -5.057) 5.787 4.088 ( -8.660 6.481 4.527) 11.726 4.208 ( -2.513 9.635 -3.120) 10.434 4.268 ( -1.065 6.800 0.020) 6.883 4.296 ( 1.101 5.908 -2.048) 6.349 4.365 ( -2.056 4.017 3.769) 5.879 4.395 ( -7.654 6.451 -2.765) 10.384 4.445 ( -4.629 2.574 1.311) 5.456 4.492 ( -2.301 3.842 2.266) 5.019 4.621 ( -3.636 5.321 3.182) 7.188 4.696 ( -1.591 -2.119 1.491) 3.041 4.728 ( -1.886 8.200 -0.949) 8.467 4.790 ( -0.017 -1.305 -0.735) 1.497 4.819 ( -3.667 7.313 -1.902) 8.399 4.859 ( 1.000 -3.979 -4.951) 6.430 4.995 ( 0.924 -3.724 3.819) 5.414 5.038 ( -3.166 -1.423 6.807) 7.641 5.060 ( -1.739 -1.228 -0.355) 2.158 5.178 ( 1.448 -0.550 -3.407) 3.742 5.202 ( 1.456 3.027 -5.663) 6.584 5.250 ( -1.713 1.709 -6.020) 6.488 5.369 ( 1.443 -3.833 -1.597) 4.396 5.444 ( -2.616 -0.011 2.271) 3.464 5.496 ( 3.487 0.578 1.596) 3.879 5.693 ( -4.013 -2.197 -0.102) 4.576 5.726 ( 2.359 -2.991 -1.544) 4.111 5.734 ( 4.437 0.881 2.931) 5.390 5.846 ( -3.260 5.963 0.456) 6.811 5.928 ( -2.379 7.956 -1.133) 8.381 6.000 ( -11.602 -0.481 -4.701) 12.527 6.082 ( 2.555 -6.161 3.746) 7.650 6.179 ( 6.081 1.001 1.350) 6.309 6.250 ( -1.665 -5.519 -1.337) 5.917 6.296 ( 8.343 -1.258 0.413) 8.447 6.379 ( 9.005 -4.369 -1.358) 10.101 6.558 ( -4.151 -1.163 3.424) 5.505 6.626 ( 0.916 -0.467 -1.908) 2.167 6.675 ( 1.114 -9.341 -0.928) 9.453 6.754 ( 4.073 -0.393 -3.854) 5.621 6.856 ( -0.508 -1.161 -0.832) 1.516 6.873 ( 3.678 0.479 1.437) 3.978 6.970 ( 2.884 -2.455 0.966) 3.908 6.988 ( 1.417 -3.400 0.011) 3.684 7.041 ( -2.982 1.808 3.524) 4.958 7.197 ( 3.171 2.578 -8.378) 9.322 7.278 ( -1.381 -2.261 -1.884) 3.251 7.307 ( 2.002 -2.514 1.468) 3.533 7.390 ( -0.107 2.031 3.756) 4.271 7.449 ( -0.664 -0.346 -0.490) 0.895 7.501 ( -4.762 1.989 8.061) 9.572 7.549 ( -2.826 2.620 0.886) 3.954 7.698 ( 0.934 -1.282 7.663) 7.825 7.736 ( 6.662 -2.485 3.100) 7.756 7.814 ( 5.074 -1.982 -2.986) 6.212 7.860 ( 5.736 2.405 -6.080) 8.698 8.052 ( 2.705 4.517 3.755) 6.467 8.081 ( 3.177 2.933 -1.599) 4.610 8.144 ( 0.200 0.435 -0.500) 0.692 8.184 ( 2.792 3.144 1.359) 4.419 8.329 ( -2.766 3.638 3.390) 5.691 8.443 ( 3.766 1.731 -3.693) 5.551 8.553 ( 4.674 1.263 2.050) 5.258 8.582 ( 3.725 0.064 -4.362) 5.737 8.773 ( 2.457 0.204 0.081) 2.467 8.803 ( 2.422 -0.464 -3.209) 4.047 9.102 ( -7.021 0.671 5.245) 8.790 9.159 ( -2.131 -6.125 1.682) 6.700 9.205 ( -1.700 -4.421 -0.218) 4.741 9.352 ( 3.127 -1.175 -3.428) 4.786 9.396 ( -4.108 -0.705 2.721) 4.978 9.454 ( -0.847 1.201 -1.283) 1.951 9.488 ( -2.984 1.886 0.697) 3.598 9.589 ( 0.902 0.669 -3.328) 3.512 9.663 ( -4.340 0.048 -1.207) 4.504 9.766 ( 1.049 1.405 -0.051) 1.755 9.878 ( -1.749 4.276 0.472) 4.644 9.937 ( -3.138 0.220 -0.830) 3.254 10.036 ( 0.146 -0.460 1.387) 1.468 10.129 ( 4.341 3.276 -2.539) 6.001 10.371 ( -1.131 -2.460 2.427) 3.637 10.436 ( 1.382 -1.798 6.070) 6.480 10.481 ( 2.155 -0.664 -4.634) 5.154 10.512 ( 1.232 -1.811 -1.340) 2.568 10.542 ( -2.939 2.615 2.868) 4.869 10.596 ( -3.766 3.518 -3.351) 6.147 10.670 ( 0.830 0.900 -0.471) 1.312 10.733 ( 2.721 -3.407 -2.575) 5.064 10.816 ( -5.146 1.165 0.142) 5.278 10.852 ( -2.108 0.865 -0.059) 2.280 10.875 ( 2.199 1.870 -2.690) 3.946 10.914 ( -1.097 0.605 3.485) 3.703 10.952 ( 3.421 -2.105 -0.282) 4.027 10.995 ( -0.814 1.198 -5.490) 5.678 11.106 ( -1.012 -3.841 0.300) 3.983 11.130 ( 0.459 -3.025 0.323) 3.077 11.203 ( -2.364 -1.974 1.479) 3.416 11.286 ( 5.538 -0.575 2.638) 6.161 11.341 ( -1.073 -3.620 0.364) 3.793 11.371 ( 0.137 -1.373 1.422) 1.981 11.712 ( -3.683 -2.445 -1.514) 4.672 11.770 ( -0.547 -1.826 -1.535) 2.447 11.849 ( -5.679 -2.529 1.159) 6.324 11.945 ( 5.894 -5.713 4.144) 9.195 11.992 ( -0.389 3.437 -1.276) 3.687 12.014 ( 0.084 1.765 -2.356) 2.945 12.203 ( 0.237 2.879 -0.382) 2.914 12.241 ( 2.728 3.564 -1.194) 4.644 12.411 ( -2.828 -1.488 1.244) 3.429 12.519 ( 4.792 -0.137 -2.361) 5.344 12.743 ( -0.786 8.994 4.994) 10.318 12.823 ( 1.167 5.211 -4.282) 6.844 13.701 ( -2.523 -2.090 9.878) 10.407 13.853 ( 1.229 -4.205 -1.120) 4.522 13.927 ( -2.176 -6.054 -4.463) 7.830 13.995 ( 2.021 -5.657 -0.733) 6.051 14.093 ( -3.275 1.582 -0.912) 3.750 14.156 ( 2.619 0.601 -0.431) 2.721 14.449 ( 1.048 -0.974 0.558) 1.536 14.466 ( 0.821 -1.794 -3.369) 3.904 14.948 ( -5.744 0.615 -1.776) 6.043 15.032 ( 3.450 -2.223 -0.520) 4.137 15.305 ( -3.098 -3.243 1.060) 4.609 15.340 ( 0.316 -2.088 0.439) 2.157 15.535 ( -0.821 7.855 -0.278) 7.902 15.568 ( 2.780 7.130 0.812) 7.695 16.091 ( -5.301 -0.202 4.542) 6.984 16.221 ( 3.641 -2.632 -1.930) 4.890 17.745 ( -3.518 1.517 -2.035) 4.338 17.781 ( 0.903 2.357 0.343) 2.547 18.216 ( -3.244 -4.476 1.542) 5.739 18.278 ( 0.652 -4.159 -1.028) 4.333 18.604 ( -1.508 11.009 1.388) 11.198 18.672 ( 2.414 10.692 -2.792) 11.311 19.311 ( -5.680 -7.980 -0.099) 9.796 19.352 ( -1.965 -6.557 0.099) 6.846 19.476 ( 1.676 -2.258 6.552) 7.130 19.543 ( 0.314 0.321 -3.464) 3.493 19.870 ( -9.070 1.184 -2.606) 9.511 19.993 ( 5.361 1.563 2.151) 5.984 20.078 ( -3.522 1.574 -3.336) 5.100 20.130 ( 1.708 2.176 0.479) 2.807 20.242 ( -1.705 1.252 -4.299) 4.791 20.321 ( 9.807 -0.648 4.206) 10.691 20.527 ( -10.481 -2.849 1.462) 10.959 20.625 ( -11.242 -2.394 -2.234) 11.710 20.775 ( 12.332 -2.148 -0.860) 12.547 20.878 ( 15.249 -1.724 1.168) 15.391 21.629 ( 2.264 2.866 5.163) 6.324 21.663 ( -0.382 4.620 -4.554) 6.498 21.807 ( -0.306 -1.278 6.648) 6.776 21.930 ( 4.240 -2.040 -5.058) 6.908 23.339 ( -0.830 0.290 0.796) 1.186 23.344 ( -1.147 0.169 -0.551) 1.283 23.406 ( -2.684 -0.592 -2.153) 3.492 23.412 ( 0.559 -0.560 1.835) 1.999 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -28.030 11.829 10.141) 32.069 1.704 ( -24.123 13.308 12.067) 30.077 2.103 ( -10.824 1.874 -9.553) 14.558 2.387 ( -12.737 0.510 1.676) 12.857 2.425 ( -0.746 -2.624 0.586) 2.790 2.511 ( -12.361 3.269 -1.866) 12.922 2.583 ( -1.808 4.866 3.262) 6.131 2.631 ( -5.298 -2.205 -0.323) 5.748 2.834 ( 1.140 2.484 -3.987) 4.834 2.865 ( -6.164 -0.654 1.316) 6.337 2.920 ( -2.437 -7.422 2.346) 8.156 2.996 ( 2.274 -3.364 0.057) 4.061 3.151 ( 5.861 -0.526 -0.197) 5.888 3.214 ( 5.861 -4.383 -0.753) 7.358 3.264 ( -2.326 -5.406 -1.668) 6.117 3.376 ( -1.630 -0.456 3.336) 3.741 3.418 ( 6.342 -5.280 -6.054) 10.235 3.454 ( -0.843 -2.314 -1.988) 3.165 3.531 ( 14.660 -1.753 -4.340) 15.389 3.638 ( -3.273 -0.839 2.708) 4.330 3.649 ( 2.021 -0.624 -0.414) 2.155 3.724 ( -2.298 2.015 1.887) 3.592 3.764 ( -1.238 -2.779 -0.872) 3.165 3.858 ( -4.817 7.185 1.261) 8.742 3.883 ( -3.262 2.078 8.256) 9.117 3.936 ( -2.427 3.904 -5.349) 7.053 4.101 ( -5.167 9.101 0.330) 10.471 4.123 ( 5.054 -1.684 -1.550) 5.548 4.178 ( -9.657 7.015 -2.046) 12.110 4.238 ( -4.375 4.661 -2.702) 6.940 4.284 ( 0.238 2.430 2.521) 3.510 4.352 ( -1.066 4.102 4.321) 6.053 4.404 ( -1.973 4.020 1.700) 4.790 4.460 ( -1.921 1.533 2.570) 3.556 4.545 ( -2.981 6.786 -1.219) 7.512 4.606 ( -5.951 1.484 0.089) 6.134 4.672 ( -3.162 1.041 -0.501) 3.366 4.746 ( -1.883 -0.452 -0.398) 1.977 4.794 ( -1.809 -0.565 0.099) 1.898 4.866 ( -0.860 5.047 -1.671) 5.385 4.926 ( -6.767 1.457 -4.220) 8.107 4.977 ( -7.636 -0.846 7.231) 10.550 5.028 ( -2.273 -4.747 2.443) 5.803 5.149 ( -3.815 0.509 -5.268) 6.525 5.208 ( -1.157 -3.717 5.115) 6.428 5.246 ( 0.269 -2.783 -3.917) 4.813 5.296 ( -2.924 -0.469 -2.576) 3.925 5.326 ( -7.081 -3.678 -4.923) 9.376 5.465 ( 0.533 -3.087 0.072) 3.134 5.650 ( -1.196 -5.534 -0.367) 5.673 5.658 ( -5.965 3.521 -1.473) 7.082 5.707 ( -4.995 -4.434 -1.142) 6.776 5.800 ( -7.695 1.176 3.280) 8.447 5.899 ( 6.372 -0.680 2.727) 6.964 6.076 ( -1.373 -7.262 -4.277) 8.539 6.094 ( 12.352 6.077 -2.404) 13.974 6.260 ( 1.089 -1.577 -3.904) 4.349 6.287 ( 6.939 0.862 -2.562) 7.447 6.372 ( 3.323 2.213 2.088) 4.506 6.458 ( 2.989 -4.550 -1.311) 5.599 6.583 ( 2.231 -4.648 5.505) 7.542 6.678 ( 3.118 -4.610 -3.794) 6.736 6.745 ( 2.569 -7.628 -5.680) 9.851 6.812 ( 2.438 3.903 -0.371) 4.617 6.887 ( 0.763 -6.207 1.393) 6.407 6.926 ( 1.619 -5.193 3.696) 6.577 7.023 ( 1.986 3.486 1.829) 4.410 7.042 ( 3.472 2.428 3.342) 5.397 7.100 ( 6.778 5.653 3.629) 9.542 7.220 ( 0.065 1.128 0.132) 1.138 7.246 ( 0.533 2.310 -4.800) 5.353 7.318 ( 1.741 5.742 2.107) 6.359 7.444 ( 3.078 5.671 -2.070) 6.776 7.463 ( 1.320 1.819 -0.053) 2.248 7.536 ( 4.017 -3.066 10.945) 12.056 7.566 ( 4.301 -1.144 -1.974) 4.869 7.773 ( 3.835 4.113 1.286) 5.769 7.839 ( 2.170 -2.968 -2.891) 4.677 7.911 ( 2.641 -0.292 1.544) 3.073 7.975 ( 7.927 -5.029 1.829) 9.565 8.129 ( 2.822 3.387 0.159) 4.411 8.164 ( 3.888 4.180 -0.849) 5.771 8.198 ( 6.964 1.362 0.391) 7.107 8.289 ( 12.104 3.720 0.635) 12.678 8.390 ( 3.172 5.255 5.017) 7.928 8.513 ( 5.416 -3.191 -5.584) 8.408 8.611 ( 1.989 2.517 -1.098) 3.390 8.698 ( 5.264 -1.526 0.891) 5.552 8.832 ( 3.692 2.839 -2.238) 5.167 8.862 ( 4.306 -1.965 -1.379) 4.930 9.004 ( -4.853 0.675 4.177) 6.439 9.075 ( -8.106 -3.271 1.019) 8.800 9.164 ( -2.044 -2.962 -1.683) 3.972 9.236 ( -6.409 -2.332 0.493) 6.838 9.351 ( -4.758 1.662 -0.215) 5.045 9.368 ( -7.647 1.302 -1.218) 7.852 9.483 ( -1.489 1.559 3.780) 4.352 9.541 ( 1.001 1.973 0.144) 2.217 9.639 ( 0.451 -2.089 -1.666) 2.710 9.740 ( -5.197 -4.044 4.046) 7.729 9.834 ( 0.068 3.362 -2.830) 4.395 9.942 ( 1.735 4.305 2.379) 5.216 10.035 ( 0.140 -0.324 -1.028) 1.087 10.214 ( 5.009 4.475 -1.214) 6.826 10.321 ( -4.084 -2.328 -2.115) 5.154 10.445 ( -3.953 -1.524 2.613) 4.977 10.473 ( 0.730 2.865 -7.621) 8.174 10.505 ( -1.313 -1.872 1.955) 3.009 10.507 ( 0.361 1.108 -0.573) 1.299 10.599 ( 1.935 -4.096 1.090) 4.660 10.634 ( -3.777 -0.698 -1.581) 4.154 10.718 ( -2.698 -2.367 0.372) 3.608 10.720 ( -5.548 -1.751 -6.353) 8.615 10.773 ( -0.277 1.692 -2.141) 2.743 10.862 ( -2.026 0.387 -0.831) 2.223 10.899 ( -1.262 1.055 -7.191) 7.376 10.925 ( 0.795 -0.053 0.222) 0.827 11.046 ( -2.715 2.055 1.909) 3.904 11.096 ( 0.527 -5.729 1.796) 6.027 11.143 ( 2.267 -0.086 2.112) 3.099 11.204 ( 1.593 -2.900 1.616) 3.682 11.325 ( -0.637 -3.876 -1.187) 4.103 11.361 ( 1.181 -1.130 0.573) 1.732 11.455 ( 5.569 -1.936 4.162) 7.217 11.620 ( -5.580 -1.755 -1.013) 5.936 11.653 ( -6.848 -3.894 -0.760) 7.914 11.818 ( -2.420 1.430 2.023) 3.463 11.913 ( -4.153 4.297 -0.824) 6.033 11.994 ( 0.943 -2.608 -5.012) 5.728 12.075 ( 2.496 -6.284 1.443) 6.914 12.234 ( 3.460 3.087 -0.963) 4.735 12.305 ( 3.124 4.390 -0.094) 5.388 12.381 ( -0.759 0.022 0.741) 1.061 12.599 ( 3.033 0.160 1.283) 3.297 12.705 ( -2.359 5.018 -4.388) 7.071 12.808 ( -0.405 5.575 -4.716) 7.313 13.699 ( -2.386 -4.205 6.529) 8.125 13.832 ( -2.121 -5.704 2.316) 6.511 13.885 ( -0.075 3.287 -8.617) 9.223 14.013 ( -2.283 -3.383 -0.571) 4.121 14.048 ( 1.342 1.540 2.806) 3.471 14.217 ( 2.997 0.367 0.952) 3.166 14.429 ( -1.161 -2.924 -2.857) 4.250 14.517 ( 3.740 -2.573 0.491) 4.566 14.794 ( -7.259 1.891 -0.468) 7.516 15.042 ( -1.740 -4.308 -3.909) 6.072 15.216 ( -2.205 1.889 0.031) 2.904 15.387 ( -0.285 -0.598 3.833) 3.890 15.588 ( 4.261 3.718 4.640) 7.315 15.643 ( 3.239 3.484 1.077) 4.877 16.026 ( -3.420 0.992 5.575) 6.615 16.271 ( 2.558 -3.496 -1.543) 4.599 17.654 ( -3.232 2.401 -2.469) 4.723 17.772 ( -3.072 2.643 2.103) 4.565 18.142 ( -4.557 -6.895 -0.428) 8.276 18.222 ( -4.995 -5.463 -3.093) 8.022 18.596 ( -0.069 10.650 0.908) 10.689 18.694 ( 1.508 9.508 -2.614) 9.976 19.176 ( -8.978 -3.657 -4.805) 10.820 19.208 ( -5.190 -6.998 0.173) 8.714 19.391 ( -5.147 5.669 -12.648) 14.785 19.555 ( -8.352 -5.035 4.907) 10.917 19.825 ( 1.682 -2.401 8.103) 8.617 19.945 ( -3.236 1.787 -5.345) 6.499 20.086 ( 3.232 2.312 2.359) 4.621 20.166 ( 2.192 -2.396 -2.749) 4.255 20.209 ( -5.588 3.474 -1.564) 6.763 20.331 ( -1.416 0.788 0.351) 1.658 20.483 ( 3.400 3.101 7.874) 9.120 20.725 ( 16.311 -3.528 5.303) 17.510 21.008 ( 11.142 -1.931 1.132) 11.365 21.158 ( 11.505 -6.790 -0.639) 13.374 21.648 ( 2.270 7.531 -3.667) 8.678 21.713 ( 2.052 2.885 3.490) 4.971 21.881 ( 3.404 -0.774 6.512) 7.389 22.005 ( 5.919 -1.694 -4.049) 7.369 23.300 ( -2.406 -0.427 -0.039) 2.444 23.308 ( -3.143 -0.480 -1.113) 3.369 23.334 ( -2.787 0.940 -0.305) 2.957 23.411 ( -1.667 -0.913 0.910) 2.107 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -13.039 14.499 21.064) 28.705 1.405 ( -16.923 15.579 21.010) 31.153 1.856 ( -4.612 2.781 -16.485) 17.343 2.159 ( -9.712 10.254 -4.008) 14.681 2.180 ( -16.721 19.054 7.718) 26.499 2.408 ( -2.799 -8.362 2.212) 9.092 2.560 ( -0.896 -2.799 6.152) 6.818 2.647 ( -3.047 -2.731 -0.449) 4.116 2.732 ( 0.765 -5.225 2.769) 5.962 2.832 ( -3.184 -5.499 1.749) 6.591 2.931 ( 1.632 -0.197 1.633) 2.317 3.010 ( 1.706 -7.385 -1.414) 7.710 3.099 ( -3.419 -5.254 -6.715) 9.186 3.171 ( -2.645 -1.780 -0.977) 3.335 3.245 ( -2.268 4.764 -0.050) 5.277 3.361 ( -2.285 0.444 1.243) 2.639 3.441 ( -1.061 -3.462 0.329) 3.635 3.529 ( 0.730 4.175 0.957) 4.345 3.631 ( 0.208 3.609 2.523) 4.408 3.651 ( 2.068 0.141 0.709) 2.190 3.661 ( 4.525 -3.673 -6.613) 8.814 3.682 ( -3.702 -2.911 2.089) 5.152 3.794 ( 1.012 6.643 5.501) 8.684 3.875 ( -5.509 4.924 -4.052) 8.427 3.883 ( 4.356 3.268 -3.252) 6.343 3.950 ( 2.501 8.523 -2.782) 9.308 3.982 ( -1.424 -1.973 -0.001) 2.433 4.029 ( 2.212 1.700 -2.157) 3.526 4.122 ( 2.575 3.499 -5.742) 7.200 4.204 ( -5.258 8.352 -1.125) 9.933 4.239 ( -3.856 2.663 0.586) 4.723 4.332 ( -2.553 3.958 -0.030) 4.710 4.422 ( -3.886 -1.230 -1.283) 4.273 4.465 ( 6.741 0.450 -0.835) 6.807 4.487 ( -4.250 0.100 -4.101) 5.907 4.533 ( -0.243 3.976 5.047) 6.429 4.598 ( -0.724 -0.022 -1.757) 1.901 4.687 ( -6.534 2.534 1.871) 7.253 4.744 ( -2.729 1.324 -2.413) 3.876 4.784 ( -3.263 -2.320 -5.965) 7.184 4.835 ( -0.947 -2.505 1.863) 3.262 4.883 ( -2.608 1.543 4.607) 5.514 4.968 ( -3.159 -3.656 0.791) 4.896 5.058 ( -1.104 -2.032 -4.121) 4.725 5.112 ( -4.276 -7.713 -0.638) 8.842 5.213 ( -0.194 -2.523 1.128) 2.771 5.267 ( -2.525 -5.327 -1.680) 6.130 5.288 ( -1.701 -1.778 4.717) 5.321 5.489 ( -6.182 -3.015 0.343) 6.886 5.518 ( -3.124 2.117 1.679) 4.131 5.565 ( -2.273 -3.742 4.427) 6.227 5.662 ( -1.827 -5.417 0.152) 5.718 5.829 ( 6.101 -0.636 4.314) 7.499 5.983 ( -2.303 -1.264 -5.882) 6.442 6.031 ( 5.205 -5.527 -2.987) 8.158 6.186 ( -2.263 -3.580 -1.966) 4.669 6.215 ( 1.936 -0.289 -2.898) 3.497 6.392 ( 1.183 -9.669 -4.016) 10.537 6.509 ( 8.216 5.094 2.486) 9.982 6.535 ( 1.225 2.498 5.057) 5.772 6.658 ( 3.286 -9.083 -3.712) 10.348 6.686 ( 3.697 -4.449 -12.563) 13.831 6.773 ( 3.550 -0.939 6.999) 7.904 6.857 ( -0.492 4.797 4.744) 6.764 6.896 ( 2.502 -5.741 -1.418) 6.421 6.952 ( -0.384 3.628 1.413) 3.912 7.104 ( 3.407 0.655 2.574) 4.320 7.129 ( 2.704 1.078 0.134) 2.914 7.184 ( -2.346 4.091 2.056) 5.145 7.238 ( 0.320 4.593 4.277) 6.285 7.253 ( 3.696 2.103 -2.479) 4.923 7.374 ( 3.705 5.017 -0.596) 6.265 7.486 ( 2.343 5.676 1.433) 6.306 7.534 ( 4.278 8.097 -0.751) 9.188 7.626 ( 2.830 -5.609 -0.221) 6.287 7.713 ( 5.820 -3.067 3.501) 7.452 7.797 ( -2.192 5.444 -4.715) 7.528 7.838 ( 3.556 6.720 0.346) 7.611 8.014 ( -1.614 -1.277 5.156) 5.552 8.060 ( 6.731 -6.049 1.373) 9.153 8.219 ( 2.362 -1.950 5.769) 6.532 8.269 ( 5.368 3.679 2.371) 6.927 8.369 ( 1.435 0.701 -2.111) 2.647 8.436 ( 5.426 4.106 1.680) 7.009 8.533 ( 9.002 -0.181 -8.514) 12.392 8.590 ( -2.456 4.021 0.974) 4.811 8.622 ( 12.028 0.267 0.727) 12.053 8.730 ( -7.655 -0.748 1.650) 7.866 8.775 ( -3.073 -0.338 0.744) 3.180 8.912 ( 4.009 -0.300 -5.457) 6.778 8.964 ( 0.168 0.546 0.022) 0.572 9.052 ( 4.762 0.844 -3.136) 5.764 9.102 ( -2.723 -4.358 -1.469) 5.345 9.144 ( -9.655 1.197 -0.184) 9.730 9.262 ( 1.442 -1.517 4.404) 4.876 9.276 ( -1.394 1.001 1.970) 2.613 9.486 ( 0.982 -0.195 2.054) 2.285 9.548 ( -10.103 -2.206 5.683) 11.800 9.582 ( -0.793 2.424 2.878) 3.845 9.655 ( -2.321 0.677 -1.955) 3.110 9.885 ( 4.428 0.909 -2.700) 5.265 9.982 ( -0.510 1.271 2.795) 3.113 10.054 ( 4.904 -1.259 -6.119) 7.943 10.213 ( -5.820 -0.058 -1.878) 6.116 10.298 ( 4.920 2.860 -2.548) 6.235 10.337 ( -8.620 -1.356 -0.424) 8.737 10.435 ( -1.742 0.063 -3.005) 3.474 10.471 ( 0.305 0.288 -1.213) 1.284 10.504 ( -1.577 0.071 -4.096) 4.389 10.541 ( -1.643 -2.852 -2.835) 4.344 10.610 ( -6.468 -3.378 1.524) 7.455 10.627 ( 0.712 -3.419 -0.635) 3.550 10.675 ( 0.236 -0.596 0.788) 1.016 10.716 ( -3.023 -3.608 -3.193) 5.688 10.802 ( -2.944 -3.236 -7.166) 8.396 10.870 ( -0.851 3.658 1.719) 4.131 10.922 ( -3.864 3.661 -0.975) 5.411 10.939 ( 0.016 -1.163 0.694) 1.355 11.154 ( 1.138 -1.936 2.733) 3.538 11.179 ( -0.800 0.959 3.083) 3.326 11.252 ( 1.511 -2.631 -0.107) 3.036 11.314 ( -1.144 -1.204 2.065) 2.650 11.382 ( 0.713 -3.104 0.243) 3.194 11.486 ( -2.787 -0.577 1.624) 3.276 11.556 ( 3.868 -1.560 -1.904) 4.585 11.597 ( -2.382 -2.576 3.481) 4.942 11.735 ( -5.102 2.891 0.850) 5.925 11.826 ( -4.588 4.688 -0.362) 6.569 12.004 ( 2.934 -4.700 -5.548) 7.841 12.079 ( -1.314 -5.380 -1.987) 5.884 12.257 ( -0.999 1.904 2.444) 3.255 12.347 ( 1.309 4.414 0.185) 4.607 12.402 ( 1.077 0.789 0.544) 1.442 12.578 ( -4.446 8.886 -1.217) 10.010 12.690 ( 3.710 -3.189 -4.352) 6.548 12.763 ( -0.583 2.588 -4.415) 5.151 13.673 ( -5.013 1.520 7.651) 9.273 13.795 ( -1.732 5.223 -6.800) 8.748 13.859 ( 2.194 -4.142 1.830) 5.032 13.970 ( -0.629 -1.524 -1.874) 2.496 14.122 ( 2.992 1.997 4.585) 5.827 14.266 ( 1.130 -0.107 0.495) 1.238 14.402 ( 0.172 -6.882 0.080) 6.885 14.545 ( -1.186 -5.175 -3.377) 6.292 14.746 ( 1.348 5.386 5.954) 8.141 14.966 ( -2.194 -2.010 -3.351) 4.482 15.200 ( 0.202 2.972 -0.862) 3.101 15.363 ( -4.921 -0.705 2.329) 5.490 15.682 ( 0.962 2.232 0.340) 2.454 15.695 ( 3.207 2.814 1.657) 4.577 16.081 ( 4.572 -2.617 8.134) 9.691 16.298 ( 0.804 -4.540 -1.172) 4.758 17.608 ( 0.112 2.625 -1.626) 3.090 17.701 ( -4.662 3.690 1.429) 6.115 18.034 ( -5.656 -8.323 -2.015) 10.263 18.067 ( -7.316 -4.238 -3.284) 9.070 18.607 ( 0.403 10.296 1.187) 10.372 18.697 ( 0.494 9.149 -3.061) 9.660 18.973 ( -9.108 0.244 1.256) 9.197 19.119 ( -3.228 -3.935 -7.577) 9.128 19.253 ( 0.792 7.570 -7.338) 10.572 19.400 ( -10.083 -3.212 5.225) 11.802 19.748 ( -4.603 3.709 0.088) 5.912 19.883 ( -5.904 -0.487 -0.464) 5.942 20.103 ( -0.503 -1.093 -2.349) 2.639 20.153 ( -2.239 1.436 0.924) 2.815 20.251 ( 6.923 -5.689 0.603) 8.981 20.334 ( 1.661 -2.982 0.299) 3.426 20.806 ( 19.816 3.393 7.798) 21.563 21.070 ( 14.074 -2.781 5.274) 15.285 21.184 ( 4.627 -3.015 0.636) 5.559 21.305 ( 4.852 -8.917 -0.283) 10.155 21.682 ( 2.459 6.576 -3.590) 7.886 21.732 ( -1.146 4.277 -0.553) 4.462 22.000 ( 3.401 0.007 7.301) 8.054 22.094 ( 5.266 -0.054 -3.112) 6.117 23.234 ( -2.807 -0.261 -0.354) 2.841 23.268 ( -1.119 -0.715 0.840) 1.571 23.282 ( -2.521 1.008 -0.343) 2.737 23.367 ( -2.501 -0.945 -0.745) 2.776 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -1.800 14.558 12.362) 19.183 1.714 ( 2.490 15.048 11.758) 19.258 1.795 ( 4.311 -2.149 -5.608) 7.392 1.991 ( -3.238 -1.118 -8.289) 8.968 2.205 ( -1.219 -0.222 4.343) 4.516 2.324 ( 2.516 -8.712 -5.989) 10.867 2.430 ( 4.264 -7.454 2.803) 9.034 2.559 ( -1.882 -14.131 -7.888) 16.293 2.770 ( 2.469 13.529 4.255) 14.395 2.852 ( -2.409 4.024 -4.218) 6.308 3.008 ( 1.524 4.952 2.125) 5.600 3.021 ( 0.227 10.388 6.488) 12.250 3.096 ( 3.374 -3.157 -1.264) 4.791 3.166 ( -4.050 3.593 -3.847) 6.642 3.296 ( 0.380 0.305 3.287) 3.323 3.330 ( -3.036 2.604 0.629) 4.049 3.396 ( -6.190 -3.802 4.178) 8.380 3.426 ( 5.346 -6.559 0.630) 8.485 3.607 ( -2.342 1.956 3.093) 4.345 3.654 ( -2.578 1.289 -1.461) 3.232 3.757 ( 4.595 6.812 3.505) 8.933 3.782 ( -5.189 1.894 4.355) 7.034 3.825 ( -0.346 0.753 -2.771) 2.893 3.932 ( 7.083 5.262 0.681) 8.851 3.976 ( 2.033 1.969 0.506) 2.875 4.030 ( -3.467 3.641 -3.015) 5.862 4.067 ( -0.570 5.262 2.232) 5.744 4.144 ( 2.303 0.696 -2.329) 3.349 4.181 ( -2.541 5.788 -0.040) 6.321 4.206 ( 3.874 1.501 -2.383) 4.790 4.269 ( -8.804 -1.764 -1.772) 9.152 4.326 ( 4.672 -0.626 -2.243) 5.220 4.366 ( -0.561 -0.808 2.029) 2.254 4.394 ( 1.966 -3.162 -0.134) 3.725 4.417 ( 0.271 -7.424 4.203) 8.535 4.479 ( -4.878 -0.074 -3.418) 5.957 4.531 ( 2.259 -4.474 -1.658) 5.279 4.646 ( 0.378 -7.499 -3.069) 8.111 4.678 ( 1.166 0.103 2.629) 2.878 4.742 ( -0.748 4.840 0.444) 4.917 4.773 ( -5.541 -5.497 1.757) 8.001 4.852 ( 4.049 -2.016 -1.342) 4.718 4.932 ( 1.765 6.599 2.139) 7.158 5.020 ( -1.358 1.906 -6.525) 6.932 5.072 ( 3.314 4.745 1.889) 6.088 5.148 ( -5.468 -2.557 -0.318) 6.045 5.207 ( -2.390 -5.317 -0.380) 5.842 5.220 ( 2.564 2.152 -2.857) 4.401 5.286 ( -0.595 -8.958 2.758) 9.392 5.353 ( 1.707 -7.862 -2.572) 8.446 5.589 ( 3.967 1.107 4.887) 6.391 5.629 ( 3.380 -2.700 2.346) 4.921 5.840 ( -0.273 -1.562 -5.673) 5.890 5.874 ( -2.944 -3.264 -6.525) 7.868 6.019 ( 2.096 -1.267 0.487) 2.497 6.075 ( -0.605 -5.694 -5.336) 7.827 6.216 ( -0.054 4.955 2.191) 5.418 6.304 ( -1.289 0.094 -5.047) 5.209 6.444 ( -0.774 -4.432 -1.971) 4.912 6.476 ( -3.871 -6.156 -3.884) 8.244 6.693 ( 0.660 4.027 3.291) 5.243 6.715 ( -0.703 4.849 1.000) 5.000 6.818 ( -2.615 -2.864 7.111) 8.100 6.865 ( 1.403 -5.305 2.501) 6.030 6.949 ( 3.098 2.827 1.264) 4.381 6.982 ( 3.243 -1.806 -0.196) 3.717 7.144 ( -1.618 2.054 -1.863) 3.210 7.176 ( -0.138 -0.928 -4.070) 4.176 7.323 ( -1.019 8.557 4.400) 9.675 7.353 ( -1.321 7.625 0.802) 7.780 7.409 ( 2.435 3.877 2.889) 5.414 7.470 ( -1.682 -0.477 -2.612) 3.144 7.547 ( -0.129 -3.808 5.647) 6.812 7.577 ( -0.915 -2.829 2.232) 3.718 7.650 ( -1.124 1.575 0.711) 2.062 7.691 ( 1.946 -1.936 -3.113) 4.151 7.910 ( -0.914 1.847 3.723) 4.255 7.940 ( 0.751 0.928 1.269) 1.742 8.079 ( 2.764 4.122 4.350) 6.600 8.120 ( -2.555 -1.125 1.120) 3.008 8.210 ( -4.194 5.107 2.942) 7.234 8.311 ( -3.389 -0.978 -5.971) 6.936 8.407 ( 0.139 0.201 4.240) 4.247 8.464 ( 1.614 -1.946 -0.771) 2.643 8.562 ( 1.310 2.957 5.278) 6.190 8.601 ( 4.261 -1.685 0.831) 4.657 8.744 ( -4.012 1.095 -0.946) 4.265 8.778 ( -8.073 -2.831 0.234) 8.558 8.809 ( 7.615 5.767 -4.221) 10.443 8.875 ( 6.024 -2.409 -5.296) 8.375 8.894 ( -6.481 -3.041 -3.456) 7.949 8.921 ( 2.097 -4.885 -6.548) 8.434 9.083 ( -4.181 5.272 7.140) 9.811 9.183 ( 0.111 -5.117 7.524) 9.100 9.216 ( 4.714 6.475 -4.224) 9.055 9.339 ( 4.895 -5.462 -6.597) 9.865 9.518 ( -0.950 1.516 4.813) 5.135 9.542 ( -4.372 -0.715 3.447) 5.613 9.583 ( 3.457 1.252 -1.096) 3.836 9.589 ( 0.146 0.463 -2.813) 2.854 9.921 ( -6.105 5.822 4.206) 9.426 9.996 ( 5.178 3.191 -4.019) 7.290 10.053 ( -7.778 -5.186 3.717) 10.060 10.095 ( 3.375 -4.256 0.108) 5.433 10.247 ( 3.077 3.602 2.798) 5.502 10.294 ( 0.847 -2.614 1.926) 3.356 10.430 ( -1.107 -0.631 -1.229) 1.771 10.436 ( -1.150 -0.496 0.660) 1.415 10.509 ( -0.271 2.465 -1.952) 3.156 10.520 ( -0.707 3.237 -2.890) 4.396 10.548 ( -0.035 0.859 -4.351) 4.435 10.607 ( 1.279 -0.947 -5.605) 5.827 10.630 ( 0.277 -1.327 -0.362) 1.403 10.677 ( -0.946 3.029 -2.779) 4.218 10.698 ( 3.023 -4.629 3.540) 6.565 10.783 ( -2.721 -5.243 -4.526) 7.442 10.981 ( 1.685 2.312 2.574) 3.848 11.003 ( 1.971 0.941 0.571) 2.258 11.156 ( 1.329 -0.965 1.045) 1.946 11.175 ( -1.355 -1.232 -0.034) 1.831 11.247 ( -1.702 1.223 0.812) 2.248 11.269 ( 0.842 -0.673 -1.195) 1.609 11.394 ( 1.375 -1.580 2.009) 2.902 11.410 ( 2.490 -3.544 1.271) 4.514 11.570 ( -2.691 1.647 2.413) 3.972 11.600 ( -0.436 -1.309 0.242) 1.400 11.696 ( -1.087 2.092 -0.555) 2.422 11.748 ( -0.850 -2.605 -5.969) 6.568 11.976 ( 0.914 -0.244 -1.644) 1.897 11.987 ( 0.322 -1.085 -2.472) 2.719 12.335 ( -0.669 3.360 7.036) 7.826 12.387 ( -0.926 -1.633 3.841) 4.275 12.500 ( 1.709 6.909 -1.200) 7.217 12.584 ( -1.439 0.727 -8.192) 8.349 12.681 ( 0.653 -1.505 1.460) 2.196 12.711 ( -2.288 -2.329 -2.192) 3.932 13.728 ( -2.076 4.735 7.015) 8.714 13.786 ( 0.497 -2.021 1.224) 2.415 13.915 ( -0.502 1.537 0.436) 1.675 13.949 ( 0.723 0.841 -2.118) 2.391 14.208 ( -0.029 1.595 -0.436) 1.654 14.235 ( 0.632 0.459 -1.540) 1.727 14.332 ( 2.341 -3.976 -0.892) 4.699 14.356 ( -2.382 -6.519 -4.301) 8.165 14.930 ( 3.173 3.196 3.336) 5.605 14.958 ( 2.729 0.160 0.805) 2.850 15.224 ( -2.359 1.251 1.506) 3.066 15.252 ( -1.096 -1.192 -1.439) 2.167 15.780 ( 0.311 4.127 3.481) 5.408 15.811 ( 1.030 2.138 0.870) 2.528 16.110 ( -0.270 -1.658 4.009) 4.346 16.165 ( -0.722 -5.870 -1.777) 6.176 17.702 ( 1.054 4.239 -0.251) 4.375 17.723 ( 0.898 3.100 -2.361) 3.999 17.864 ( 0.613 -3.141 0.731) 3.283 17.885 ( -1.708 -4.327 -1.575) 4.911 18.798 ( -1.945 7.067 1.963) 7.588 18.839 ( 2.057 4.647 -2.297) 5.576 18.911 ( -0.883 0.499 3.835) 3.967 18.980 ( 1.878 -5.409 -2.685) 6.324 19.286 ( -5.004 6.240 6.505) 10.310 19.366 ( -0.010 1.385 -0.907) 1.656 19.759 ( -0.176 2.496 -0.453) 2.543 19.819 ( 1.989 -1.870 -5.340) 5.997 20.091 ( -1.008 0.602 0.722) 1.378 20.112 ( 1.058 -0.810 -1.244) 1.823 20.243 ( 1.534 -2.899 -0.233) 3.288 20.261 ( -1.131 -4.185 -2.090) 4.812 21.064 ( 0.955 -1.590 1.220) 2.220 21.080 ( -2.958 -3.202 -0.749) 4.423 21.246 ( 3.727 -0.748 1.554) 4.106 21.264 ( 1.026 -2.432 -0.125) 2.642 21.742 ( -2.247 2.635 -0.562) 3.508 21.759 ( -1.206 1.005 -2.309) 2.792 22.093 ( 0.193 2.475 2.588) 3.586 22.143 ( 2.361 -2.271 -2.812) 4.317 23.231 ( 1.070 1.311 1.656) 2.368 23.256 ( 0.636 -0.611 0.808) 1.197 23.264 ( -0.364 0.741 -0.490) 0.960 23.292 ( -1.405 -1.540 -1.682) 2.678 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 10.485 12.346 9.353) 18.704 1.820 ( 9.290 3.057 -10.212) 14.139 2.033 ( 14.888 9.616 3.408) 18.048 2.060 ( 13.575 6.997 -2.857) 15.537 2.245 ( 2.826 -0.046 2.967) 4.098 2.356 ( 3.941 -2.504 -6.206) 7.766 2.497 ( 4.120 -16.237 -8.609) 18.834 2.556 ( 4.666 -16.040 4.161) 17.215 2.738 ( -4.683 2.926 -1.842) 5.821 2.803 ( -5.203 -1.150 -1.338) 5.494 2.965 ( -3.301 5.207 0.845) 6.223 2.985 ( -4.025 1.976 1.443) 4.710 3.087 ( 0.248 10.657 -0.938) 10.701 3.213 ( 1.894 3.594 -0.247) 4.070 3.256 ( 0.218 -2.115 3.028) 3.700 3.325 ( -3.968 -5.386 2.341) 7.088 3.367 ( -3.270 4.508 4.607) 7.228 3.499 ( -4.830 -5.070 1.349) 7.131 3.582 ( 2.821 1.330 1.995) 3.702 3.656 ( 2.673 -4.369 5.097) 7.226 3.696 ( -2.095 4.179 -2.032) 5.097 3.801 ( -4.041 -0.256 -2.198) 4.607 3.826 ( 1.818 5.019 5.012) 7.322 3.930 ( -4.355 -0.811 -8.243) 9.358 3.996 ( 0.321 8.910 0.204) 8.918 4.043 ( 3.225 4.520 -2.208) 5.976 4.057 ( 3.556 4.466 0.511) 5.732 4.156 ( -2.657 4.361 -1.735) 5.394 4.184 ( 9.874 8.653 1.948) 13.273 4.245 ( 4.348 -1.037 0.906) 4.561 4.301 ( 3.017 1.603 1.588) 3.768 4.312 ( 0.487 1.777 1.687) 2.498 4.394 ( -2.016 -0.662 -2.102) 2.987 4.446 ( 6.860 0.369 0.074) 6.870 4.487 ( 4.406 2.008 5.415) 7.265 4.566 ( 9.681 2.396 -3.947) 10.726 4.608 ( 4.096 -2.148 3.471) 5.783 4.624 ( 2.136 -14.015 -2.686) 14.429 4.682 ( -0.894 -2.142 -0.017) 2.321 4.724 ( 3.867 -7.220 -0.179) 8.192 4.838 ( 4.309 9.813 1.979) 10.898 4.962 ( 2.113 1.193 4.235) 4.881 5.007 ( 4.358 -1.292 -2.156) 5.031 5.028 ( 2.937 -0.898 0.114) 3.073 5.065 ( 4.124 1.925 -2.791) 5.338 5.123 ( -0.485 -0.470 2.705) 2.788 5.206 ( 2.218 -0.742 -3.824) 4.483 5.246 ( 5.387 -4.036 1.945) 7.007 5.342 ( 4.751 -5.923 1.852) 7.815 5.437 ( 5.918 -9.688 -1.065) 11.402 5.610 ( -2.995 -0.606 -8.924) 9.432 5.658 ( -0.555 -2.200 -6.381) 6.772 5.823 ( 0.974 1.953 -0.695) 2.290 5.897 ( 5.418 -3.637 5.330) 8.426 5.960 ( -4.725 -1.976 -5.343) 7.401 6.013 ( -2.220 -7.046 -1.252) 7.492 6.218 ( -2.995 2.114 2.341) 4.350 6.243 ( -0.488 4.408 -0.272) 4.443 6.337 ( -6.114 -5.041 2.888) 8.434 6.443 ( -0.939 -7.407 1.843) 7.690 6.629 ( -4.700 2.108 0.582) 5.184 6.712 ( -3.976 -5.431 2.887) 7.324 6.807 ( -1.868 11.838 -1.456) 12.073 6.879 ( -3.458 3.632 1.392) 5.205 6.918 ( -4.795 0.418 0.164) 4.816 7.024 ( 1.122 -7.036 -3.455) 7.918 7.109 ( -2.017 1.595 2.549) 3.621 7.137 ( -2.387 -1.252 -3.342) 4.294 7.276 ( -3.701 5.954 1.931) 7.272 7.362 ( -0.507 8.503 3.518) 9.216 7.373 ( -5.204 -0.795 -0.314) 5.274 7.415 ( -2.836 1.974 0.715) 3.529 7.519 ( -3.915 -1.075 1.782) 4.434 7.580 ( -3.340 1.680 2.855) 4.704 7.632 ( 0.671 -6.199 0.994) 6.314 7.676 ( -2.178 -4.726 -3.090) 6.052 7.822 ( -5.536 8.715 -1.260) 10.401 7.923 ( -2.594 -1.610 0.379) 3.077 8.035 ( -5.965 6.060 2.189) 8.780 8.127 ( -3.083 4.354 1.233) 5.476 8.196 ( -3.054 -4.246 8.548) 10.021 8.205 ( -5.179 -2.202 -0.811) 5.685 8.405 ( -3.252 1.104 -1.373) 3.699 8.418 ( -5.630 -0.586 -0.595) 5.691 8.546 ( -6.421 -0.251 -1.202) 6.537 8.568 ( -9.320 -1.012 1.344) 9.470 8.697 ( 0.595 3.102 -1.093) 3.342 8.735 ( -1.538 -1.393 6.898) 7.203 8.802 ( 9.960 4.965 -2.093) 11.324 8.865 ( 2.564 1.324 -6.613) 7.215 8.926 ( -1.235 -4.478 -2.192) 5.136 8.947 ( 0.625 -4.269 -1.091) 4.451 9.099 ( 2.601 5.986 4.831) 8.120 9.211 ( -1.732 -4.914 3.698) 6.390 9.274 ( 5.192 4.721 -4.949) 8.587 9.355 ( 1.021 -3.394 -5.080) 6.194 9.503 ( 2.411 1.601 0.167) 2.899 9.549 ( 5.864 -3.474 -1.969) 7.095 9.635 ( 1.723 1.177 -0.018) 2.086 9.651 ( 1.044 -0.264 -1.960) 2.236 9.874 ( -1.974 4.391 3.449) 5.922 9.937 ( -4.445 -2.162 4.617) 6.763 10.132 ( 9.212 4.966 -0.982) 10.511 10.202 ( 5.003 -2.138 4.859) 7.294 10.274 ( -1.013 2.581 -3.959) 4.834 10.340 ( 2.508 -3.741 -0.241) 4.511 10.380 ( -2.886 2.935 1.030) 4.244 10.416 ( 0.108 -1.103 3.087) 3.280 10.504 ( 1.705 2.230 -0.757) 2.908 10.523 ( 0.430 1.866 -2.541) 3.182 10.553 ( 1.892 -1.372 -0.330) 2.360 10.610 ( 3.472 -2.976 -3.366) 5.678 10.643 ( -0.902 -1.672 -3.541) 4.019 10.689 ( 1.340 -0.159 0.858) 1.600 10.713 ( 2.602 0.622 -0.065) 2.676 10.807 ( 3.938 -6.500 1.876) 7.828 10.992 ( -1.308 1.351 -2.884) 3.443 11.007 ( 0.409 1.114 -2.088) 2.402 11.148 ( -0.467 0.671 -0.142) 0.830 11.207 ( 0.741 -3.175 0.056) 3.261 11.250 ( 0.973 1.385 0.369) 1.733 11.290 ( 1.089 -2.080 0.427) 2.386 11.403 ( 0.886 1.840 -4.217) 4.685 11.461 ( 0.278 -3.348 0.110) 3.361 11.500 ( -3.722 1.092 1.413) 4.128 11.541 ( -2.146 -3.684 3.175) 5.316 11.772 ( 5.744 1.062 0.618) 5.874 11.790 ( 5.005 -1.183 2.092) 5.552 11.972 ( 0.692 0.845 -2.783) 2.989 11.991 ( 1.158 -1.682 -1.429) 2.492 12.362 ( -1.144 3.228 5.010) 6.069 12.394 ( -0.115 0.760 2.556) 2.669 12.486 ( -2.130 3.565 -5.353) 6.775 12.522 ( -1.376 0.225 -0.025) 1.394 12.675 ( -0.237 0.250 1.287) 1.332 12.713 ( 1.206 -2.217 2.483) 3.540 13.720 ( -2.730 4.246 4.585) 6.820 13.783 ( -1.272 -2.818 0.851) 3.206 13.903 ( -0.979 2.207 0.972) 2.602 13.961 ( 1.728 -0.101 -1.588) 2.349 14.171 ( -1.722 1.121 -0.790) 2.201 14.271 ( 2.067 -0.537 -0.629) 2.226 14.285 ( -2.134 -4.522 -2.413) 5.552 14.365 ( 0.768 -5.583 0.569) 5.664 14.950 ( -0.327 3.304 -5.615) 6.523 14.977 ( 1.295 0.789 -3.378) 3.703 15.238 ( 2.434 4.110 3.191) 5.744 15.317 ( 5.263 -4.078 2.420) 7.084 15.755 ( -3.238 5.203 -0.025) 6.128 15.807 ( -1.383 1.229 -1.527) 2.399 16.096 ( -2.100 -0.620 1.907) 2.904 16.160 ( -0.040 -5.666 0.754) 5.716 17.687 ( 0.745 5.453 -2.018) 5.862 17.767 ( 3.070 -1.238 -2.732) 4.292 17.915 ( 5.379 -0.950 0.990) 5.551 17.963 ( 6.614 -4.031 1.304) 7.855 18.789 ( 0.176 7.713 1.428) 7.846 18.873 ( 2.131 3.028 -0.421) 3.727 18.957 ( 3.062 1.386 0.178) 3.366 19.018 ( 4.497 -2.569 -3.403) 6.197 19.265 ( -1.540 8.332 8.013) 11.662 19.385 ( 1.620 -3.334 2.885) 4.697 19.787 ( 3.318 2.804 -0.396) 4.362 19.866 ( 4.771 -4.350 -4.385) 7.805 20.063 ( -1.225 1.115 0.775) 1.829 20.126 ( -1.953 -5.151 -1.122) 5.622 20.224 ( 1.090 1.554 -1.010) 2.150 20.277 ( 2.412 -3.407 -0.548) 4.210 20.906 ( -11.981 2.396 0.264) 12.221 20.983 ( -9.291 -5.835 1.271) 11.044 21.206 ( -5.707 -0.180 -3.755) 6.834 21.232 ( -5.597 -3.152 -2.645) 6.946 21.702 ( -2.268 2.985 3.299) 4.994 21.733 ( -1.712 -0.276 2.641) 3.159 22.063 ( -3.914 2.412 0.095) 4.599 22.109 ( -3.530 -1.923 -4.200) 5.814 23.250 ( 1.022 0.965 -1.047) 1.753 23.270 ( 0.831 -0.841 -0.959) 1.522 23.294 ( 3.243 1.194 0.724) 3.531 23.322 ( 3.538 -1.504 1.329) 4.068 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 15.934 7.790 2.491) 17.910 2.037 ( 18.892 8.835 -7.892) 22.299 2.227 ( 11.417 6.379 -9.428) 16.123 2.323 ( 3.631 4.421 1.135) 5.833 2.359 ( 10.088 -8.675 -0.336) 13.310 2.444 ( 6.508 5.502 3.961) 9.398 2.590 ( -3.679 0.339 1.489) 3.983 2.630 ( 9.359 -5.477 -0.647) 10.864 2.709 ( 1.853 -6.579 -1.575) 7.014 2.741 ( 4.507 -13.299 4.210) 14.660 2.904 ( -5.282 -0.093 0.962) 5.369 2.925 ( -2.623 -4.438 4.673) 6.958 3.101 ( -0.830 8.224 4.779) 9.548 3.169 ( -7.170 0.950 3.294) 7.948 3.243 ( -3.178 5.018 -1.570) 6.144 3.252 ( -4.807 -2.724 -0.552) 5.552 3.286 ( -10.526 -6.089 5.803) 13.474 3.352 ( -2.786 -3.895 -1.896) 5.150 3.521 ( -5.094 4.410 -0.093) 6.739 3.585 ( -6.230 -1.335 1.890) 6.645 3.769 ( 1.889 3.064 -2.677) 4.486 3.834 ( -0.193 1.644 -5.432) 5.679 3.882 ( 7.277 -2.913 0.438) 7.850 3.899 ( 3.434 1.101 -7.722) 8.523 4.035 ( -1.262 8.742 2.011) 9.059 4.113 ( 7.486 2.604 6.235) 10.085 4.135 ( -0.795 0.570 -0.152) 0.990 4.143 ( 8.008 5.553 -3.805) 10.461 4.289 ( 4.362 2.956 0.146) 5.271 4.314 ( 0.804 2.743 -2.699) 3.931 4.372 ( 6.653 2.612 -0.178) 7.150 4.396 ( 4.866 -1.608 1.505) 5.341 4.463 ( 4.989 -0.594 1.015) 5.126 4.525 ( 0.505 -0.904 -5.026) 5.131 4.572 ( 3.293 3.853 -0.425) 5.086 4.650 ( 0.777 -1.299 -2.076) 2.569 4.664 ( 5.357 5.012 2.063) 7.620 4.751 ( 8.740 4.916 0.078) 10.028 4.831 ( 11.400 -1.008 3.610) 12.000 4.860 ( 7.636 -6.624 -0.263) 10.112 4.897 ( 0.775 1.543 2.414) 2.968 4.978 ( -0.829 0.373 2.936) 3.073 5.069 ( -1.033 -4.870 2.820) 5.721 5.074 ( 3.263 0.686 0.475) 3.368 5.180 ( 8.193 6.603 4.886) 11.602 5.271 ( 5.843 2.885 -0.758) 6.561 5.286 ( 11.324 8.568 -1.479) 14.277 5.362 ( 6.425 -4.033 -8.254) 11.211 5.415 ( -0.146 -5.088 -0.927) 5.174 5.474 ( -2.333 -0.881 -2.372) 3.441 5.576 ( 6.044 -11.529 3.416) 13.458 5.632 ( 6.211 -4.748 -3.372) 8.514 5.787 ( 0.060 1.815 -3.215) 3.692 5.907 ( -1.145 3.712 1.832) 4.295 5.932 ( -2.604 -9.988 -4.422) 11.229 6.037 ( 0.043 -7.060 7.936) 10.622 6.151 ( -3.884 1.861 1.672) 4.620 6.259 ( -0.308 -5.914 2.367) 6.377 6.315 ( -1.021 4.561 2.063) 5.109 6.432 ( 0.217 -2.737 -0.590) 2.809 6.509 ( -6.922 2.850 1.220) 7.584 6.608 ( -6.741 0.226 -3.536) 7.615 6.707 ( -3.610 1.303 5.357) 6.590 6.781 ( -4.819 0.593 -3.910) 6.234 6.835 ( -5.344 1.182 -1.282) 5.621 6.948 ( -6.254 -6.956 -3.212) 9.890 7.054 ( -3.635 1.225 -0.337) 3.851 7.084 ( -2.337 -1.836 5.361) 6.130 7.211 ( -4.548 2.355 -0.647) 5.162 7.258 ( -6.687 0.931 0.387) 6.763 7.347 ( -2.861 3.139 -0.309) 4.259 7.384 ( -0.140 2.989 0.148) 2.995 7.471 ( -2.361 2.219 4.828) 5.814 7.510 ( -3.857 3.914 -0.677) 5.536 7.583 ( -3.285 -4.029 -3.486) 6.259 7.607 ( -5.719 -6.562 3.029) 9.216 7.728 ( -1.967 6.937 -4.671) 8.591 7.870 ( -3.680 -0.187 2.268) 4.327 7.898 ( -8.906 3.944 0.510) 9.753 8.008 ( -7.033 -1.676 -4.692) 8.619 8.114 ( -2.234 2.704 5.523) 6.543 8.158 ( -6.656 -0.725 5.318) 8.550 8.244 ( -9.014 -1.210 -2.258) 9.371 8.273 ( -6.870 -4.383 5.063) 9.594 8.438 ( -3.774 6.100 -3.106) 7.817 8.501 ( -0.429 -0.069 -0.296) 0.525 8.626 ( -5.871 3.051 4.420) 7.957 8.684 ( -4.969 -3.121 0.414) 5.883 8.810 ( -4.243 1.219 -1.914) 4.812 8.841 ( -1.695 -1.201 -2.679) 3.390 9.036 ( 2.228 -0.076 -0.195) 2.237 9.045 ( 5.153 -1.179 -0.300) 5.294 9.187 ( 8.047 -0.261 -0.451) 8.064 9.196 ( 5.670 -1.391 0.913) 5.909 9.386 ( 5.245 2.489 -1.271) 5.943 9.410 ( 4.875 -0.165 -1.821) 5.206 9.548 ( -3.718 1.667 -2.182) 4.622 9.576 ( 2.244 -0.207 -3.260) 3.963 9.614 ( 0.337 2.595 -1.239) 2.896 9.704 ( 6.556 -6.026 -2.558) 9.264 9.877 ( 0.380 4.266 2.223) 4.825 9.939 ( -0.348 -1.933 3.841) 4.314 10.188 ( -1.720 4.218 -5.513) 7.151 10.218 ( -3.793 0.400 -1.438) 4.076 10.322 ( 3.425 1.612 5.237) 6.462 10.372 ( 2.601 0.088 3.938) 4.720 10.418 ( 2.626 0.660 2.504) 3.689 10.477 ( 0.588 -2.119 4.223) 4.761 10.528 ( 2.605 2.998 -0.122) 3.974 10.533 ( 1.290 -1.169 -3.618) 4.015 10.554 ( 2.560 -1.706 -2.264) 3.819 10.629 ( 1.808 -5.331 0.147) 5.631 10.699 ( 5.899 3.008 -0.038) 6.622 10.765 ( 4.805 -3.077 1.076) 5.806 10.805 ( 4.699 3.798 2.372) 6.492 10.875 ( 0.875 -2.778 2.623) 3.920 10.963 ( 0.655 -0.228 -1.878) 2.002 11.010 ( 2.067 -3.226 -2.015) 4.329 11.120 ( -3.009 1.405 -1.039) 3.480 11.161 ( -2.688 -1.033 -4.090) 5.002 11.249 ( -2.679 0.066 -1.206) 2.939 11.265 ( 0.177 -1.329 -2.249) 2.618 11.387 ( -1.921 0.177 -3.098) 3.650 11.407 ( -4.912 -0.558 2.061) 5.356 11.521 ( 4.003 -0.642 3.527) 5.374 11.581 ( 2.931 -5.695 1.383) 6.552 11.873 ( 2.162 1.913 0.787) 2.992 11.906 ( 4.883 -0.532 2.386) 5.461 11.983 ( 2.360 1.631 -3.138) 4.251 12.010 ( 1.881 -2.143 -1.672) 3.306 12.327 ( -3.944 5.975 0.486) 7.176 12.392 ( -1.470 3.580 0.557) 3.909 12.432 ( -0.704 -1.976 -4.714) 5.159 12.475 ( -3.082 -3.610 2.901) 5.563 12.726 ( 2.875 4.217 5.131) 7.237 12.784 ( 3.645 -0.308 6.273) 7.261 13.679 ( -2.722 2.713 1.580) 4.156 13.758 ( -1.515 -3.812 1.516) 4.373 13.892 ( -1.270 1.812 0.421) 2.252 13.975 ( -0.549 -4.621 -1.680) 4.948 14.136 ( -0.414 3.830 -1.993) 4.337 14.241 ( -1.174 -3.520 -2.211) 4.319 14.308 ( 1.490 -0.985 1.691) 2.460 14.382 ( 0.214 -5.356 2.987) 6.136 14.921 ( 1.914 4.642 -5.589) 7.513 14.990 ( 2.733 -2.043 -3.977) 5.240 15.297 ( 0.942 5.702 1.050) 5.874 15.402 ( 1.491 -4.946 -0.510) 5.190 15.693 ( -2.076 5.048 -1.039) 5.556 15.751 ( -2.042 0.594 -3.118) 3.774 16.083 ( -0.026 1.472 1.171) 1.882 16.156 ( -1.007 -4.700 1.226) 4.960 17.718 ( 3.361 5.239 -1.822) 6.485 17.808 ( 2.737 -3.271 -2.963) 5.193 18.052 ( 6.638 0.361 2.012) 6.946 18.100 ( 5.471 -3.669 2.413) 7.016 18.816 ( 1.284 9.640 1.379) 9.823 18.903 ( 1.355 8.468 -2.277) 8.873 19.009 ( 2.777 -2.288 1.268) 3.815 19.122 ( 6.691 -5.765 -2.684) 9.231 19.324 ( 2.239 7.055 7.981) 10.885 19.466 ( 4.015 -7.521 3.608) 9.258 19.864 ( 3.169 -0.427 -0.573) 3.249 19.896 ( 0.892 -3.876 -2.206) 4.548 20.041 ( -2.646 -0.447 1.662) 3.156 20.071 ( -0.994 -2.507 1.610) 3.141 20.298 ( 7.094 4.518 -1.421) 8.529 20.360 ( 6.292 -1.612 -1.774) 6.733 20.667 ( -10.369 4.165 -2.887) 11.541 20.753 ( -12.670 -4.633 -3.902) 14.043 21.019 ( -11.117 -0.869 -3.107) 11.576 21.040 ( -10.767 -3.326 -1.449) 11.362 21.673 ( -3.365 3.882 5.122) 7.255 21.724 ( -1.980 -1.451 5.307) 5.848 21.955 ( -6.165 1.311 -1.794) 6.554 21.981 ( -5.298 -1.311 -5.028) 7.421 23.285 ( 2.520 0.264 0.318) 2.554 23.293 ( 1.927 -0.557 -0.209) 2.017 23.362 ( 2.827 1.594 0.019) 3.245 23.394 ( 2.883 -1.658 -0.007) 3.326 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 5.447 1.585 0.792) 5.728 2.325 ( 1.828 -1.810 2.600) 3.657 2.394 ( 16.845 6.818 -1.067) 18.204 2.441 ( 8.757 6.148 -4.474) 11.597 2.502 ( 4.870 -1.733 5.076) 7.244 2.546 ( 3.212 -0.226 -2.570) 4.119 2.613 ( 3.700 -2.292 -1.321) 4.548 2.692 ( -2.938 -5.220 1.336) 6.137 2.769 ( -0.514 1.276 -1.571) 2.089 2.804 ( -1.907 2.151 3.203) 4.304 2.850 ( -2.286 -0.067 1.374) 2.668 2.941 ( -0.749 -6.246 -1.026) 6.373 2.987 ( -3.454 -0.848 6.354) 7.282 3.020 ( -3.833 -4.089 8.985) 10.589 3.124 ( -7.868 2.662 0.075) 8.307 3.166 ( -4.499 0.537 -0.807) 4.603 3.294 ( 8.509 -0.554 3.412) 9.184 3.349 ( 3.623 -4.156 2.478) 6.045 3.507 ( 1.497 1.866 -2.035) 3.141 3.564 ( -0.690 -3.327 0.175) 3.402 3.703 ( -5.526 2.843 -2.895) 6.855 3.758 ( -2.757 -1.700 -4.079) 5.208 3.815 ( -2.355 0.610 -8.504) 8.845 3.873 ( -2.182 -2.893 -4.913) 6.105 4.073 ( 0.420 5.586 -0.055) 5.602 4.118 ( -4.216 1.797 -0.184) 4.586 4.280 ( 4.258 8.093 3.616) 9.833 4.311 ( 2.468 4.045 4.543) 6.564 4.347 ( 3.072 3.480 -1.088) 4.768 4.365 ( 5.828 2.606 1.636) 6.590 4.424 ( 1.096 -1.798 2.942) 3.618 4.483 ( 0.855 -4.366 0.127) 4.450 4.518 ( 2.231 1.486 -5.731) 6.327 4.547 ( 1.690 1.056 -1.912) 2.762 4.656 ( 6.138 1.112 -0.212) 6.242 4.668 ( 2.980 1.534 1.299) 3.594 4.785 ( 3.025 5.528 -0.641) 6.334 4.825 ( -1.626 0.539 -4.455) 4.773 4.891 ( 0.801 1.469 0.097) 1.676 4.938 ( -2.130 -5.123 -2.020) 5.904 4.971 ( 1.608 3.985 0.190) 4.302 5.017 ( 4.958 -2.042 2.966) 6.128 5.071 ( -1.363 3.577 9.950) 10.661 5.159 ( 0.637 1.303 -2.282) 2.704 5.235 ( 1.941 -2.089 2.040) 3.506 5.275 ( -0.715 -7.774 -10.959) 13.455 5.419 ( 5.815 13.967 1.353) 15.190 5.490 ( 9.331 -1.180 -4.607) 10.473 5.511 ( 2.355 3.732 -4.686) 6.437 5.543 ( 2.647 6.247 1.135) 6.879 5.678 ( -0.313 -10.650 0.112) 10.655 5.744 ( 4.315 -2.275 -2.542) 5.500 5.830 ( -5.498 -0.083 4.928) 7.383 5.849 ( 0.899 -3.761 7.507) 8.444 5.953 ( 7.315 2.440 6.694) 10.212 6.006 ( 6.639 -0.365 0.243) 6.654 6.170 ( 0.992 0.368 4.871) 4.984 6.231 ( -1.763 -1.865 3.011) 3.956 6.265 ( -5.538 -0.560 0.560) 5.594 6.370 ( -7.209 8.156 -1.268) 10.959 6.474 ( 1.770 -12.879 -0.533) 13.011 6.533 ( 0.101 -6.946 -5.078) 8.605 6.636 ( -6.544 -2.325 -0.057) 6.945 6.667 ( -3.441 -1.920 -2.643) 4.745 6.793 ( 4.279 1.764 -1.551) 4.881 6.850 ( 2.162 -3.327 -3.641) 5.386 6.998 ( -5.399 3.230 2.338) 6.712 7.051 ( -6.908 -1.375 -3.731) 7.971 7.102 ( -4.313 0.849 1.092) 4.529 7.140 ( -1.788 -3.055 6.731) 7.605 7.283 ( -1.368 3.967 -5.030) 6.550 7.344 ( -1.404 -0.374 -5.589) 5.775 7.427 ( -3.892 4.863 -0.697) 6.267 7.463 ( -2.927 0.536 5.320) 6.096 7.529 ( -1.967 -1.015 3.109) 3.816 7.566 ( 0.075 -3.162 1.438) 3.474 7.656 ( -5.020 1.499 3.569) 6.339 7.731 ( -3.903 -4.041 -0.523) 5.642 7.837 ( -1.302 4.153 0.122) 4.354 7.874 ( -2.851 1.306 -5.502) 6.333 8.061 ( -2.695 -0.744 2.150) 3.526 8.086 ( -3.720 -2.524 -1.274) 4.673 8.170 ( 0.369 6.081 8.714) 10.633 8.250 ( -1.182 -1.187 9.860) 10.001 8.374 ( 0.460 7.740 -5.650) 9.594 8.494 ( 0.562 -2.599 -4.312) 5.066 8.548 ( -3.591 2.433 2.660) 5.088 8.589 ( -3.784 -2.085 -0.416) 4.340 8.758 ( -0.198 1.493 -0.617) 1.628 8.794 ( -0.539 -1.687 -2.885) 3.385 9.051 ( 0.480 -2.405 0.231) 2.463 9.064 ( 0.590 -4.288 -0.997) 4.442 9.294 ( -2.778 2.529 2.560) 4.545 9.319 ( 3.115 0.780 -2.981) 4.382 9.407 ( 1.283 1.356 -0.602) 1.962 9.452 ( 0.511 -2.365 -2.068) 3.184 9.524 ( 0.062 -0.247 -1.150) 1.177 9.530 ( 2.174 -0.592 -2.878) 3.655 9.728 ( 6.195 3.529 -1.191) 7.228 9.779 ( 0.522 -1.191 -0.650) 1.454 9.924 ( 3.488 1.991 1.189) 4.189 9.960 ( 2.016 -1.206 2.505) 3.434 10.094 ( -5.414 3.290 -0.693) 6.374 10.136 ( -2.273 -0.083 -3.181) 3.910 10.353 ( -2.282 1.162 5.198) 5.794 10.399 ( -2.478 -2.448 3.032) 4.618 10.443 ( 1.356 -0.128 -4.290) 4.501 10.467 ( 0.023 -1.717 -1.973) 2.616 10.587 ( 3.596 3.837 4.198) 6.729 10.625 ( 4.842 -0.769 -0.730) 4.957 10.648 ( 2.581 -1.054 1.300) 3.076 10.690 ( 5.233 -4.177 4.607) 8.127 10.783 ( 0.668 4.933 -1.511) 5.202 10.847 ( 2.404 -1.294 0.606) 2.797 10.878 ( 0.106 1.458 0.657) 1.602 10.914 ( 3.720 1.782 2.196) 4.673 10.950 ( -1.936 -0.660 -0.902) 2.236 11.040 ( -1.466 -2.631 0.814) 3.120 11.063 ( 2.523 0.985 -1.005) 2.889 11.125 ( 0.531 -2.046 -4.501) 4.973 11.181 ( -1.939 0.446 -4.491) 4.912 11.233 ( -2.659 -3.206 -3.324) 5.329 11.320 ( -2.333 -0.638 1.510) 2.851 11.331 ( -3.731 -1.708 3.239) 5.228 11.637 ( 3.926 -2.080 4.361) 6.226 11.657 ( 4.869 -4.047 0.573) 6.357 11.859 ( -1.906 3.097 -3.021) 4.728 11.931 ( -3.317 -4.163 -2.756) 5.993 12.024 ( 2.529 2.359 0.178) 3.463 12.045 ( 1.892 0.237 -1.224) 2.265 12.270 ( -1.619 6.316 2.198) 6.880 12.353 ( -1.375 5.080 -2.591) 5.866 12.386 ( -2.531 -4.572 2.460) 5.776 12.450 ( 0.434 -3.689 -3.346) 4.999 12.836 ( 3.856 7.015 6.636) 10.397 12.898 ( 3.082 1.612 4.622) 5.785 13.667 ( 0.240 1.942 3.473) 3.986 13.760 ( 0.096 -3.901 3.604) 5.312 13.840 ( -2.685 -3.597 -3.884) 5.936 13.892 ( -4.957 -5.942 -3.001) 8.299 14.154 ( 2.378 3.802 -0.363) 4.499 14.210 ( -0.872 0.462 -1.680) 1.948 14.351 ( 1.500 -1.641 2.766) 3.549 14.405 ( 0.323 -4.735 1.149) 4.883 14.960 ( 3.748 3.853 -1.612) 5.612 15.025 ( 2.136 -2.180 -3.132) 4.373 15.281 ( -1.797 3.456 -0.275) 3.905 15.363 ( -3.365 -4.789 -3.622) 6.883 15.669 ( 0.172 5.446 -0.571) 5.478 15.704 ( -1.325 2.705 -1.992) 3.611 16.104 ( 0.638 -0.105 1.859) 1.969 16.139 ( -0.805 -2.971 0.078) 3.079 17.776 ( 3.006 3.421 -1.291) 4.733 17.823 ( 0.469 -1.294 -2.870) 3.183 18.170 ( 3.528 -0.839 1.949) 4.117 18.184 ( 1.375 -2.122 2.395) 3.483 18.845 ( 0.413 11.727 1.839) 11.878 18.900 ( 0.173 12.106 -2.499) 12.362 19.092 ( 3.877 -7.377 2.748) 8.776 19.189 ( 0.706 -11.153 -1.728) 11.308 19.430 ( 3.136 4.584 5.909) 8.109 19.537 ( 0.438 -6.201 0.885) 6.280 19.881 ( 4.140 1.297 -1.459) 4.577 19.948 ( 0.666 -5.148 1.009) 5.288 20.035 ( 2.326 3.240 3.551) 5.340 20.090 ( 1.768 -2.377 2.268) 3.730 20.367 ( -5.467 3.945 -4.319) 8.006 20.402 ( -5.293 -0.023 -3.784) 6.506 20.552 ( 5.683 2.223 -3.764) 7.170 20.607 ( 7.971 -2.744 -3.394) 9.088 20.759 ( -12.765 0.418 -1.882) 12.910 20.812 ( -12.267 -4.521 -0.256) 13.076 21.654 ( -1.673 4.413 6.125) 7.732 21.722 ( -1.469 -2.097 5.603) 6.161 21.831 ( -3.786 2.158 -3.479) 5.576 21.881 ( -1.396 -2.544 -4.922) 5.714 23.331 ( 1.446 0.212 0.874) 1.703 23.338 ( 1.875 -0.435 1.054) 2.194 23.395 ( 0.765 1.314 -0.510) 1.603 23.422 ( 0.287 -1.470 -1.159) 1.894 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -15.763 4.900 7.785) 18.251 2.275 ( -12.972 1.170 5.829) 14.269 2.344 ( -10.928 6.530 3.580) 13.224 2.453 ( -6.799 1.921 -2.831) 7.611 2.545 ( -10.209 -3.559 -2.499) 11.096 2.575 ( -5.402 -8.696 0.151) 10.238 2.595 ( 4.334 1.791 -1.042) 4.804 2.686 ( 0.880 -6.587 0.430) 6.660 2.749 ( 0.707 1.648 0.655) 1.909 2.828 ( 5.844 -4.299 0.070) 7.255 2.917 ( 6.447 2.353 -1.764) 7.086 2.927 ( 3.134 1.411 -3.725) 5.069 3.027 ( 4.166 4.468 2.621) 6.648 3.125 ( 7.676 3.893 0.963) 8.660 3.141 ( 8.264 -2.609 -2.335) 8.975 3.225 ( 10.612 -2.312 -5.707) 12.269 3.407 ( -1.303 3.641 2.071) 4.387 3.440 ( -5.955 -4.075 -5.050) 8.808 3.467 ( -2.231 -2.414 -7.274) 7.982 3.500 ( 4.918 -6.329 3.412) 8.711 3.624 ( -0.252 1.994 4.378) 4.817 3.692 ( -3.677 -3.604 4.265) 6.686 3.763 ( 2.326 4.178 -4.081) 6.286 3.867 ( 2.226 -5.391 -3.936) 7.036 4.022 ( -3.567 5.115 4.244) 7.543 4.073 ( -1.877 1.897 4.249) 5.017 4.262 ( -9.376 7.687 4.599) 12.968 4.311 ( -4.082 1.821 2.014) 4.903 4.358 ( -2.336 3.986 -0.801) 4.689 4.422 ( 0.076 1.787 1.949) 2.645 4.447 ( -1.028 8.905 -6.102) 10.844 4.463 ( 1.273 -3.229 1.734) 3.880 4.497 ( -3.608 0.828 -0.774) 3.781 4.521 ( -1.537 1.211 -0.465) 2.012 4.666 ( -8.459 1.412 -0.082) 8.576 4.710 ( -3.508 -0.346 -0.264) 3.534 4.774 ( 0.468 1.598 -2.675) 3.151 4.807 ( -5.599 -0.816 0.613) 5.692 4.844 ( -2.529 -1.628 1.969) 3.595 4.879 ( -2.041 -6.252 2.755) 7.130 4.955 ( 1.489 7.831 1.002) 8.034 5.086 ( 5.903 -0.121 -3.946) 7.101 5.101 ( -6.984 5.552 7.471) 11.637 5.121 ( -3.210 1.324 5.160) 6.219 5.202 ( 1.382 -3.378 -1.957) 4.142 5.265 ( -6.867 -5.517 -0.969) 8.862 5.358 ( -7.593 3.372 5.293) 9.851 5.409 ( -4.453 5.931 -6.530) 9.881 5.539 ( -6.807 -7.293 -4.127) 10.796 5.635 ( 8.723 6.370 -4.663) 11.765 5.660 ( 2.862 -5.496 0.620) 6.227 5.750 ( 2.426 -1.043 -3.799) 4.626 5.902 ( -0.877 -0.505 -0.321) 1.062 5.960 ( 2.466 -4.685 -2.568) 5.884 6.014 ( -2.185 4.102 0.289) 4.656 6.089 ( -0.383 0.990 -1.979) 2.246 6.178 ( -4.499 3.634 1.910) 6.090 6.241 ( 5.556 -0.148 3.498) 6.567 6.281 ( 2.963 0.751 3.391) 4.565 6.342 ( 4.926 3.918 -1.025) 6.377 6.447 ( -1.314 -9.554 -0.262) 9.647 6.496 ( 2.181 -7.446 -2.326) 8.100 6.615 ( 6.635 1.971 -3.133) 7.597 6.702 ( 9.522 -5.310 -3.672) 11.504 6.831 ( -6.330 -1.017 -4.086) 7.603 6.853 ( -7.436 -3.775 -6.889) 10.817 6.947 ( 8.516 2.908 5.707) 10.656 6.974 ( 6.190 -0.114 5.622) 8.363 7.110 ( 0.263 4.204 5.833) 7.195 7.183 ( 1.401 -3.155 0.323) 3.467 7.269 ( 2.782 1.562 -2.792) 4.240 7.297 ( 0.779 -0.196 -6.679) 6.727 7.411 ( -0.113 0.704 3.325) 3.401 7.427 ( 1.291 -0.305 5.262) 5.427 7.531 ( -1.255 1.256 6.234) 6.482 7.584 ( 3.208 -2.937 -2.845) 5.198 7.647 ( -4.094 0.154 10.558) 11.324 7.688 ( -0.406 -2.562 3.080) 4.026 7.844 ( 5.338 3.372 -4.269) 7.622 7.879 ( 5.406 -0.214 -5.957) 8.047 8.071 ( 2.383 0.074 0.967) 2.573 8.101 ( 4.698 -2.042 -0.937) 5.208 8.223 ( 0.034 7.904 6.671) 10.343 8.316 ( 3.222 4.105 2.093) 5.623 8.361 ( -0.985 1.838 0.056) 2.086 8.451 ( 0.623 -2.004 -5.958) 6.317 8.574 ( 4.653 0.868 1.242) 4.894 8.584 ( 4.185 -0.114 -1.707) 4.521 8.782 ( 2.696 0.805 -1.527) 3.201 8.796 ( 2.863 -0.349 -3.839) 4.801 9.041 ( -2.108 -3.460 1.137) 4.208 9.052 ( -2.176 -4.258 0.390) 4.798 9.211 ( -5.141 3.853 5.128) 8.220 9.294 ( -4.168 -4.249 2.967) 6.650 9.433 ( 2.417 3.403 -2.873) 5.067 9.478 ( 1.124 0.261 -3.671) 3.848 9.509 ( -2.354 0.401 -0.164) 2.393 9.533 ( 1.712 -3.389 -2.436) 4.512 9.717 ( -6.310 3.300 -0.144) 7.122 9.764 ( -2.611 -1.452 0.574) 3.043 9.958 ( -3.024 1.687 -0.727) 3.538 9.965 ( -0.541 2.585 -1.902) 3.254 10.055 ( 1.321 3.604 3.840) 5.429 10.145 ( 4.790 -2.973 -2.079) 6.009 10.339 ( -1.703 0.454 5.075) 5.372 10.382 ( -0.833 -3.201 4.301) 5.426 10.456 ( 2.305 -0.851 -4.061) 4.747 10.470 ( 1.792 -2.024 -3.300) 4.266 10.612 ( -2.167 3.394 0.436) 4.051 10.661 ( -1.599 -0.077 -1.040) 1.908 10.674 ( -3.454 1.466 -1.709) 4.123 10.742 ( -0.133 2.997 0.291) 3.014 10.777 ( -2.097 -1.667 1.009) 2.863 10.869 ( 2.753 -4.263 0.610) 5.111 10.888 ( -0.665 0.475 -0.258) 0.856 10.896 ( 0.817 -0.006 1.407) 1.627 10.971 ( -4.093 4.570 -5.505) 8.243 11.044 ( 4.503 3.639 -0.180) 5.793 11.062 ( -2.316 -1.553 0.299) 2.804 11.104 ( -0.147 -1.604 -2.992) 3.398 11.137 ( -2.194 -1.921 -0.588) 2.975 11.193 ( 2.718 -6.483 -0.118) 7.030 11.312 ( 0.130 -0.091 3.718) 3.721 11.335 ( 0.728 -2.127 3.122) 3.848 11.688 ( -0.868 0.276 -2.686) 2.836 11.722 ( -0.458 -2.831 -5.284) 6.012 11.819 ( -3.165 -0.272 2.021) 3.765 11.847 ( 2.022 -3.436 5.124) 6.492 12.041 ( -0.875 1.339 -0.854) 1.814 12.044 ( -1.238 0.980 -1.606) 2.252 12.281 ( 0.137 4.598 2.204) 5.101 12.339 ( 2.524 4.296 -1.744) 5.279 12.369 ( -1.233 -1.122 2.475) 2.984 12.465 ( 3.514 -5.045 -3.516) 7.083 12.912 ( -0.770 6.551 1.246) 6.713 12.934 ( 0.345 4.116 -0.719) 4.193 13.674 ( -4.010 0.416 5.058) 6.468 13.755 ( -4.075 -7.542 2.086) 8.823 13.807 ( 4.433 -1.152 -0.433) 4.601 13.862 ( 3.562 -6.265 -0.378) 7.216 14.169 ( -1.891 4.591 -1.993) 5.350 14.198 ( 1.740 2.119 -0.508) 2.789 14.402 ( 1.883 -3.015 1.061) 3.710 14.405 ( 0.430 -3.345 -1.986) 3.914 14.979 ( -3.962 2.094 -3.208) 5.512 15.008 ( -0.273 -0.846 -1.924) 2.119 15.267 ( -1.932 -0.342 2.069) 2.851 15.292 ( 0.533 -2.505 1.900) 3.189 15.671 ( -0.977 4.891 -0.830) 5.056 15.684 ( 1.014 3.671 0.338) 3.823 16.095 ( -2.259 1.225 2.077) 3.304 16.151 ( 1.640 -4.136 -0.565) 4.485 17.784 ( -2.110 2.212 -1.975) 3.639 17.809 ( 0.524 0.067 -1.526) 1.615 18.169 ( -3.734 0.074 1.815) 4.152 18.208 ( -1.083 -3.237 0.264) 3.424 18.851 ( -1.087 13.324 2.354) 13.574 18.882 ( -0.631 10.498 -1.807) 10.671 19.125 ( -3.994 -9.722 -0.260) 10.513 19.168 ( 0.019 -12.011 0.051) 12.011 19.471 ( -2.720 1.523 4.030) 5.095 19.516 ( -1.743 -2.575 0.995) 3.265 19.923 ( -0.350 4.076 -6.053) 7.306 19.993 ( 5.647 -2.109 -2.695) 6.603 20.108 ( -1.704 1.317 -0.966) 2.361 20.133 ( -0.321 -1.382 -3.497) 3.774 20.283 ( 2.546 2.394 2.941) 4.567 20.311 ( 5.726 -0.610 4.090) 7.063 20.506 ( -10.615 1.149 1.521) 10.785 20.560 ( -11.081 -3.813 0.427) 11.727 20.768 ( 12.114 1.610 -1.979) 12.380 20.824 ( 12.848 -3.549 -1.556) 13.420 21.695 ( 1.850 3.607 5.907) 7.164 21.744 ( 1.186 0.638 0.994) 1.673 21.789 ( 1.158 2.149 0.180) 2.448 21.870 ( 3.442 -4.143 -4.960) 7.322 23.345 ( -1.165 0.337 0.026) 1.213 23.348 ( -1.012 0.093 -0.142) 1.026 23.396 ( -1.789 -0.250 -0.799) 1.975 23.400 ( -0.257 -0.589 0.920) 1.122 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -20.990 13.558 8.471) 26.384 1.971 ( -16.734 10.726 6.537) 20.923 2.126 ( -14.180 1.629 1.746) 14.380 2.289 ( -12.115 -7.058 1.403) 14.091 2.387 ( -1.320 -1.772 -2.354) 3.229 2.493 ( -4.702 -12.087 0.470) 12.978 2.595 ( -3.384 1.490 -1.745) 4.088 2.645 ( -2.694 -2.982 -1.533) 4.301 2.719 ( -2.312 6.424 -0.504) 6.846 2.847 ( -2.171 -5.891 -4.647) 7.811 2.943 ( 2.575 2.658 -2.388) 4.404 3.014 ( 1.101 -1.169 -2.989) 3.394 3.142 ( 0.460 1.995 4.187) 4.661 3.192 ( -5.531 5.934 -4.211) 9.140 3.238 ( 0.481 -5.365 -0.805) 5.446 3.302 ( 8.108 1.922 -7.072) 10.929 3.359 ( 5.961 -1.133 -3.832) 7.176 3.440 ( 10.918 -3.658 -6.935) 13.442 3.535 ( 7.466 3.964 2.301) 8.761 3.624 ( 3.497 -2.081 8.122) 9.084 3.643 ( 0.854 1.223 -1.828) 2.360 3.705 ( 1.562 -1.379 4.504) 4.963 3.794 ( -2.611 1.426 3.645) 4.705 3.844 ( -5.984 -4.385 3.417) 8.168 4.000 ( -4.232 7.108 6.515) 10.530 4.063 ( -4.894 9.536 3.151) 11.172 4.115 ( -0.055 1.474 2.121) 2.584 4.221 ( -3.014 1.097 -3.768) 4.948 4.260 ( -4.410 0.709 -0.874) 4.552 4.315 ( -7.695 3.934 -0.713) 8.672 4.363 ( -6.633 6.047 -1.310) 9.071 4.437 ( -3.082 0.298 -1.287) 3.353 4.459 ( -4.962 -10.933 -0.276) 12.010 4.502 ( -3.571 -2.136 0.396) 4.180 4.522 ( -0.771 5.614 3.008) 6.415 4.593 ( -3.060 -1.026 3.219) 4.559 4.694 ( -4.985 2.974 -1.892) 6.105 4.735 ( -3.873 -0.745 0.371) 3.961 4.814 ( -4.417 -3.951 2.901) 6.598 4.858 ( -5.176 -2.064 -0.146) 5.575 4.939 ( -3.015 6.126 3.416) 7.634 5.010 ( -3.777 2.513 2.032) 4.971 5.054 ( -4.358 -0.796 0.684) 4.483 5.094 ( -4.797 -6.121 1.530) 7.926 5.172 ( -3.999 0.709 -0.298) 4.072 5.200 ( -2.220 4.261 3.416) 5.895 5.268 ( -4.209 0.499 2.787) 5.073 5.340 ( -2.021 2.005 -6.356) 6.965 5.438 ( -2.731 -1.705 -5.044) 5.984 5.518 ( -5.188 -1.344 -0.139) 5.361 5.625 ( -7.900 -4.006 -4.598) 9.980 5.706 ( -5.424 -6.462 -4.662) 9.639 5.824 ( -2.639 3.273 -4.522) 6.175 5.887 ( 4.510 0.594 -0.761) 4.612 6.003 ( -0.836 1.649 -5.860) 6.145 6.135 ( -3.711 -7.405 -3.966) 9.183 6.221 ( 4.876 1.072 -2.884) 5.766 6.255 ( 4.682 -1.475 1.268) 5.070 6.396 ( 4.378 1.303 -4.912) 6.707 6.456 ( 6.518 2.893 3.211) 7.821 6.513 ( 6.171 -4.364 -5.422) 9.302 6.558 ( 5.616 -3.387 2.831) 7.143 6.694 ( -0.721 0.427 0.908) 1.235 6.753 ( 0.842 -4.036 -1.626) 4.432 6.819 ( 5.990 -1.453 0.307) 6.172 6.865 ( 6.086 -2.312 2.863) 7.112 7.110 ( 2.226 3.858 -0.043) 4.455 7.135 ( 6.314 4.826 5.000) 9.390 7.164 ( 4.876 0.337 0.269) 4.895 7.225 ( 3.747 -2.447 3.469) 5.662 7.284 ( 2.662 5.090 -2.912) 6.440 7.361 ( 3.784 -1.196 2.353) 4.613 7.487 ( 3.029 1.642 2.038) 4.003 7.517 ( 3.372 -0.327 6.117) 6.993 7.540 ( -0.672 2.239 1.675) 2.875 7.624 ( 3.276 8.922 2.355) 9.792 7.665 ( 4.098 -8.604 1.411) 9.634 7.821 ( 8.824 -9.358 2.390) 13.082 7.934 ( 3.775 4.837 -1.524) 6.323 7.949 ( 3.867 3.039 1.154) 5.052 8.156 ( 4.589 -1.149 3.127) 5.671 8.179 ( 3.011 -0.502 -2.292) 3.817 8.269 ( 3.426 5.272 -0.691) 6.325 8.374 ( 3.511 -3.364 -0.410) 4.880 8.415 ( 7.511 5.752 -1.570) 9.590 8.499 ( 6.185 -1.207 -3.214) 7.074 8.670 ( 4.095 2.718 -0.347) 4.927 8.699 ( 6.459 0.853 -0.722) 6.555 8.824 ( 2.822 0.021 -1.714) 3.302 8.859 ( 5.911 -1.616 -4.746) 7.751 9.003 ( -3.998 -0.469 2.744) 4.872 9.013 ( -3.358 -1.840 2.914) 4.812 9.142 ( -4.192 1.079 2.510) 5.004 9.187 ( -6.878 -2.775 1.731) 7.616 9.378 ( -6.094 0.882 0.509) 6.179 9.384 ( -8.451 0.237 -0.408) 8.465 9.532 ( 0.662 2.962 0.250) 3.045 9.577 ( -0.785 0.147 -2.018) 2.171 9.598 ( 1.541 -0.004 -0.294) 1.568 9.660 ( -6.009 -4.227 1.691) 7.539 9.916 ( 0.127 4.419 -1.288) 4.605 9.973 ( 1.825 -1.059 -2.156) 3.017 10.096 ( -0.549 6.070 4.419) 7.528 10.209 ( 1.557 -4.421 0.223) 4.693 10.336 ( -2.719 2.460 3.055) 4.773 10.405 ( -0.910 -5.258 3.817) 6.560 10.432 ( -2.934 0.193 -3.671) 4.704 10.470 ( -1.023 -2.629 0.007) 2.821 10.558 ( -1.696 1.311 -3.448) 4.060 10.568 ( -1.018 3.953 -2.315) 4.692 10.609 ( -4.342 -3.144 -3.824) 6.585 10.650 ( -2.020 -4.359 -0.827) 4.875 10.746 ( -5.217 5.109 -5.174) 8.950 10.837 ( -3.701 2.978 -1.952) 5.136 10.846 ( -1.349 -1.710 -5.396) 5.819 10.895 ( -0.059 1.463 0.944) 1.742 10.952 ( -1.796 -1.061 -0.242) 2.100 10.995 ( -3.262 -4.841 -0.913) 5.909 11.078 ( 2.308 1.089 1.815) 3.132 11.116 ( 3.806 -2.404 -0.953) 4.602 11.172 ( 2.449 2.522 3.863) 5.223 11.248 ( 1.106 -4.111 1.292) 4.449 11.347 ( 0.233 -0.270 2.053) 2.084 11.378 ( 1.270 -3.969 4.699) 6.280 11.608 ( -2.884 0.353 -4.716) 5.540 11.620 ( -3.656 -0.648 -2.685) 4.582 11.850 ( 0.957 2.712 3.135) 4.255 11.928 ( 1.427 -4.630 0.920) 4.931 11.979 ( -3.626 1.394 -2.365) 4.548 11.993 ( -1.890 -0.937 -0.566) 2.184 12.305 ( 0.867 3.602 1.460) 3.982 12.356 ( -1.293 -1.548 3.215) 3.795 12.409 ( 4.245 5.798 -1.162) 7.279 12.529 ( 4.426 -5.926 -2.320) 7.751 12.835 ( -4.009 6.437 -5.180) 9.183 12.893 ( -3.383 1.251 -4.243) 5.569 13.653 ( -0.124 0.657 4.703) 4.750 13.725 ( -1.275 -5.518 4.759) 7.398 13.902 ( 3.773 -0.126 0.234) 3.783 13.934 ( 1.751 -3.448 1.439) 4.127 14.127 ( 0.085 6.134 -1.818) 6.398 14.228 ( 2.161 -2.069 -0.969) 3.145 14.372 ( -1.243 0.214 -4.852) 5.014 14.444 ( 1.835 -4.918 -2.371) 5.760 14.857 ( -5.223 4.305 0.211) 6.772 14.948 ( -3.751 -5.073 -0.279) 6.316 15.272 ( -0.073 3.688 3.783) 5.284 15.343 ( 0.308 -3.431 5.055) 6.117 15.671 ( 1.236 4.083 1.275) 4.453 15.705 ( 0.718 1.180 1.298) 1.896 16.071 ( -1.135 4.151 1.911) 4.708 16.176 ( 1.121 -6.038 -0.518) 6.163 17.719 ( -2.657 4.178 -1.855) 5.287 17.789 ( -1.706 -1.989 -0.912) 2.774 18.069 ( -6.818 0.734 0.270) 6.862 18.134 ( -5.959 -4.574 -0.940) 7.571 18.838 ( -1.313 12.956 1.342) 13.092 18.855 ( -1.388 7.494 -0.133) 7.623 19.037 ( -3.763 -7.547 -0.793) 8.471 19.095 ( -6.756 -8.201 -0.110) 10.626 19.431 ( -1.941 -0.239 -0.620) 2.051 19.460 ( -5.557 -3.435 3.469) 7.397 19.867 ( -1.484 5.909 -4.782) 7.745 19.962 ( -4.291 -1.950 -5.497) 7.241 20.098 ( 3.158 -0.191 -3.772) 4.924 20.114 ( 1.601 -1.955 -4.207) 4.907 20.277 ( -6.753 3.317 0.691) 7.555 20.327 ( -5.376 -1.569 1.436) 5.781 20.560 ( 11.765 4.500 7.656) 14.740 20.645 ( 15.712 -4.437 6.542) 17.588 20.991 ( 10.905 0.851 -0.157) 10.939 21.046 ( 9.988 -4.618 -1.337) 11.085 21.761 ( 2.151 3.271 -1.431) 4.168 21.777 ( 2.534 2.602 -1.025) 3.774 21.877 ( 5.382 1.634 4.987) 7.517 21.948 ( 6.483 -4.119 -2.120) 7.968 23.295 ( -3.044 -0.044 -0.479) 3.082 23.299 ( -3.159 -0.404 -0.906) 3.311 23.358 ( -2.197 1.469 0.413) 2.675 23.387 ( -1.839 -1.499 0.723) 2.480 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -11.384 17.606 10.988) 23.671 1.749 ( -12.706 19.726 13.785) 27.214 1.868 ( -8.849 -4.962 -3.803) 10.835 2.128 ( -6.777 -12.018 5.575) 14.881 2.309 ( -11.539 -6.332 0.402) 13.169 2.354 ( -1.764 -8.123 -3.806) 9.142 2.438 ( -3.895 6.313 -10.172) 12.589 2.611 ( -1.305 -2.712 -1.679) 3.446 2.754 ( 1.119 0.856 0.543) 1.510 2.785 ( 4.967 -3.715 -1.164) 6.311 2.972 ( -0.332 6.093 4.447) 7.550 3.025 ( -5.177 14.104 -0.945) 15.054 3.042 ( 3.799 0.343 -2.777) 4.718 3.192 ( 2.018 5.007 1.604) 5.632 3.284 ( -0.313 -7.846 -0.064) 7.853 3.339 ( 3.190 -5.558 -0.031) 6.409 3.439 ( -2.922 8.240 -0.196) 8.744 3.548 ( -7.544 -3.877 2.373) 8.807 3.598 ( 0.780 1.818 1.303) 2.369 3.657 ( 3.653 3.889 -1.577) 5.563 3.684 ( -1.482 2.719 0.948) 3.238 3.746 ( 2.329 3.160 4.616) 6.059 3.800 ( 5.314 -9.338 4.651) 11.708 3.831 ( 5.819 -1.631 -2.755) 6.642 3.970 ( -1.591 5.125 4.466) 6.981 4.029 ( -0.813 6.758 -2.027) 7.102 4.073 ( -0.594 3.960 -2.785) 4.878 4.171 ( 0.221 7.943 -2.447) 8.315 4.210 ( -5.368 0.999 -3.837) 6.674 4.255 ( -2.275 0.111 0.303) 2.298 4.279 ( -2.745 -3.347 2.287) 4.896 4.358 ( 2.881 -6.998 -0.634) 7.594 4.383 ( -4.194 -4.283 -1.141) 6.102 4.398 ( -3.237 -10.011 7.138) 12.714 4.510 ( -8.914 5.915 0.297) 10.702 4.563 ( -1.841 1.818 0.429) 2.622 4.601 ( -5.459 0.722 2.376) 5.997 4.636 ( -1.505 -0.362 -1.677) 2.282 4.713 ( -4.062 1.126 -5.365) 6.823 4.768 ( -1.690 -3.201 -1.166) 3.802 4.883 ( -9.191 6.687 -0.373) 11.373 4.925 ( -3.928 1.679 5.766) 7.176 4.941 ( -5.389 2.156 1.492) 5.993 5.045 ( -1.052 2.754 -1.820) 3.465 5.117 ( -3.179 -1.086 -5.800) 6.703 5.136 ( 1.203 -4.420 3.162) 5.566 5.195 ( -2.050 4.480 -2.577) 5.560 5.277 ( -0.264 -0.017 1.996) 2.014 5.369 ( -5.795 -7.352 -1.292) 9.449 5.395 ( -6.794 -11.268 -1.212) 13.213 5.551 ( 1.882 -1.013 1.737) 2.755 5.577 ( -3.705 -2.525 -1.538) 4.740 5.860 ( 4.169 3.150 -3.466) 6.271 5.948 ( 2.630 2.497 -3.639) 5.138 5.991 ( -4.475 -9.014 -3.568) 10.678 6.026 ( 5.135 -2.830 -3.068) 6.618 6.239 ( -0.631 -0.223 -5.152) 5.195 6.320 ( 2.402 0.563 -2.235) 3.329 6.439 ( 4.187 -2.543 -7.808) 9.217 6.533 ( 2.364 -4.964 -7.701) 9.462 6.588 ( 3.953 1.453 3.670) 5.586 6.699 ( 6.213 -7.431 2.937) 10.122 6.760 ( -0.516 7.723 5.710) 9.618 6.820 ( 3.938 1.841 6.291) 7.647 6.895 ( 2.084 -0.589 2.452) 3.272 6.934 ( -1.254 -4.073 4.588) 6.262 7.150 ( 3.111 2.845 -3.562) 5.519 7.191 ( 1.476 -0.038 -4.178) 4.431 7.266 ( 4.735 6.333 0.154) 7.909 7.332 ( 2.584 3.456 3.006) 5.259 7.350 ( 1.807 5.950 3.647) 7.209 7.436 ( 3.823 0.259 1.207) 4.018 7.527 ( 0.886 -1.810 0.498) 2.076 7.543 ( 0.660 0.411 3.486) 3.571 7.624 ( 3.961 -2.171 3.010) 5.428 7.679 ( -0.286 -0.478 0.556) 0.787 7.817 ( 8.775 1.324 -0.919) 8.921 7.904 ( -0.565 -2.136 1.260) 2.543 8.020 ( 3.344 2.205 5.207) 6.570 8.064 ( 5.498 1.750 2.800) 6.413 8.226 ( 2.393 5.325 -0.048) 5.838 8.293 ( 7.229 0.162 2.129) 7.538 8.344 ( 4.177 -1.275 2.244) 4.910 8.433 ( 1.437 -7.577 -3.149) 8.331 8.535 ( 3.407 4.686 -1.094) 5.896 8.611 ( 2.803 -2.209 -1.497) 3.870 8.711 ( 2.836 6.415 -1.635) 7.202 8.780 ( -0.069 0.125 -0.683) 0.698 8.807 ( -5.259 6.092 -2.706) 8.491 8.870 ( -3.064 -2.977 -3.344) 5.425 8.932 ( 2.708 -3.559 -1.831) 4.833 8.966 ( 5.015 -4.648 -3.237) 7.565 9.135 ( -1.122 2.739 2.424) 3.826 9.159 ( -6.318 -0.059 4.475) 7.742 9.231 ( -4.354 0.379 3.325) 5.491 9.271 ( 0.947 -2.078 -1.161) 2.562 9.498 ( 0.068 1.240 1.497) 1.945 9.520 ( -4.231 -1.033 2.142) 4.854 9.623 ( -0.737 1.816 1.084) 2.240 9.651 ( -0.829 -1.011 -1.223) 1.790 9.928 ( 2.409 3.567 -2.224) 4.845 10.002 ( 3.401 -3.443 -3.023) 5.706 10.071 ( -5.403 6.513 4.743) 9.701 10.212 ( -10.196 -4.690 4.674) 12.157 10.236 ( 0.648 -1.279 1.182) 1.858 10.292 ( -5.498 -3.777 -3.519) 7.541 10.425 ( 1.256 1.043 -0.138) 1.638 10.453 ( -0.885 -1.767 0.977) 2.205 10.526 ( -0.727 0.979 -2.423) 2.712 10.554 ( 0.832 -0.888 -2.732) 2.990 10.583 ( 2.026 -1.065 0.038) 2.289 10.612 ( -3.589 6.726 -5.943) 9.667 10.627 ( -0.320 -3.026 -0.799) 3.146 10.730 ( -3.656 0.036 -5.034) 6.221 10.755 ( -3.946 1.381 -5.533) 6.934 10.867 ( -3.194 -4.935 -3.220) 6.703 10.936 ( 0.727 1.186 2.740) 3.073 10.954 ( 0.292 -0.851 2.314) 2.482 11.138 ( 1.079 1.831 0.903) 2.309 11.188 ( 0.455 -2.551 1.614) 3.053 11.228 ( 2.399 2.600 1.790) 3.964 11.280 ( 1.259 -2.357 1.563) 3.096 11.343 ( -0.823 -0.214 1.760) 1.955 11.396 ( -1.924 -5.302 4.586) 7.270 11.569 ( 1.562 0.934 -2.764) 3.310 11.579 ( 0.080 -0.058 -0.727) 0.734 11.794 ( -5.750 3.527 -1.413) 6.892 11.861 ( -4.908 -2.342 -5.321) 7.608 11.956 ( 1.947 0.663 -1.412) 2.495 11.995 ( 0.355 -3.090 -0.784) 3.208 12.316 ( -1.117 3.648 4.443) 5.856 12.370 ( -0.249 -1.645 4.706) 4.991 12.471 ( 2.692 5.978 -1.832) 6.808 12.594 ( 3.594 -6.330 -2.998) 7.872 12.723 ( -3.710 5.699 -4.644) 8.235 12.788 ( -3.432 -0.811 -4.869) 6.012 13.706 ( 0.437 1.793 6.683) 6.933 13.750 ( 0.898 -2.657 3.633) 4.590 13.929 ( -0.474 2.102 -1.579) 2.671 13.946 ( 0.514 -0.223 -0.111) 0.571 14.161 ( 2.965 3.700 0.004) 4.741 14.268 ( 1.703 -6.706 -2.142) 7.243 14.306 ( -1.300 4.713 -3.331) 5.916 14.426 ( -0.990 -6.871 -5.638) 8.943 14.838 ( 1.417 4.137 5.663) 7.155 14.910 ( -0.489 -3.554 3.209) 4.813 15.267 ( -2.155 3.699 0.881) 4.371 15.330 ( -3.945 -2.675 1.420) 4.974 15.725 ( 2.434 2.755 2.366) 4.372 15.752 ( 2.612 0.892 4.204) 5.029 16.080 ( 0.545 3.142 2.462) 4.029 16.184 ( 0.039 -6.667 -0.932) 6.731 17.679 ( -0.090 4.513 -1.092) 4.644 17.747 ( -1.580 -0.861 -0.694) 1.929 17.930 ( -6.356 -0.343 -0.674) 6.401 17.991 ( -6.906 -4.511 -1.483) 8.381 18.820 ( -0.827 9.570 0.081) 9.606 18.834 ( -0.954 6.330 0.762) 6.447 18.963 ( -6.092 -2.367 1.827) 6.786 18.982 ( -1.129 -7.013 -0.907) 7.161 19.364 ( -6.234 0.607 4.529) 7.729 19.390 ( -1.029 1.581 -2.879) 3.442 19.797 ( -2.966 2.920 -1.656) 4.480 19.864 ( -2.593 -2.278 -4.692) 5.825 20.089 ( -0.258 0.422 -2.140) 2.196 20.129 ( 0.326 -3.430 -1.154) 3.633 20.219 ( 0.202 2.527 -0.808) 2.661 20.277 ( -0.099 -3.183 -0.791) 3.282 20.877 ( 14.157 4.197 3.881) 15.268 20.974 ( 13.033 -5.957 2.345) 14.521 21.158 ( 4.938 0.366 0.766) 5.010 21.192 ( 5.690 -3.386 0.809) 6.670 21.772 ( 0.468 3.083 -3.283) 4.528 21.793 ( 0.328 1.157 -3.266) 3.480 22.019 ( 4.759 2.057 4.920) 7.148 22.068 ( 5.891 -2.471 -0.834) 6.442 23.236 ( -2.168 0.481 0.445) 2.265 23.250 ( -1.519 -0.939 0.794) 1.955 23.309 ( -2.570 1.688 -0.574) 3.128 23.342 ( -2.535 -1.641 -0.662) 3.091 =================== 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 3/31500 10.0 2267.166 2282.297 2457.639 0.000 255.328 0.000 3/31500 20.0 250.815 223.763 159.933 0.000 18.052 0.000 3/31500 30.0 79.256 65.554 46.456 0.000 4.798 0.000 3/31500 40.0 38.592 31.259 22.340 0.000 2.247 0.000 3/31500 50.0 23.656 19.019 13.718 0.000 1.355 0.000 3/31500 60.0 16.519 13.236 9.632 0.000 0.936 0.000 3/31500 70.0 12.502 9.996 7.335 0.000 0.703 0.000 3/31500 80.0 9.982 7.968 5.893 0.000 0.558 0.000 3/31500 90.0 8.277 6.597 4.914 0.000 0.460 0.000 3/31500 100.0 7.057 5.616 4.211 0.000 0.390 0.000 3/31500 110.0 6.146 4.885 3.684 0.000 0.338 0.000 3/31500 120.0 5.442 4.321 3.275 0.000 0.297 0.000 3/31500 130.0 4.883 3.874 2.950 0.000 0.265 0.000 3/31500 140.0 4.429 3.511 2.684 0.000 0.240 0.000 3/31500 150.0 4.054 3.212 2.464 0.000 0.218 0.000 3/31500 160.0 3.739 2.961 2.278 0.000 0.201 0.000 3/31500 170.0 3.470 2.747 2.119 0.000 0.185 0.000 3/31500 180.0 3.239 2.563 1.982 0.000 0.172 0.000 3/31500 190.0 3.037 2.403 1.862 0.000 0.161 0.000 3/31500 200.0 2.860 2.262 1.757 0.000 0.151 0.000 3/31500 210.0 2.703 2.138 1.663 0.000 0.143 0.000 3/31500 220.0 2.563 2.027 1.579 0.000 0.135 0.000 3/31500 230.0 2.438 1.927 1.503 0.000 0.128 0.000 3/31500 240.0 2.324 1.838 1.435 0.000 0.122 0.000 3/31500 250.0 2.221 1.756 1.373 0.000 0.116 0.000 3/31500 260.0 2.128 1.682 1.316 0.000 0.111 0.000 3/31500 270.0 2.042 1.614 1.264 0.000 0.106 0.000 3/31500 280.0 1.962 1.551 1.216 0.000 0.102 0.000 3/31500 290.0 1.890 1.493 1.171 0.000 0.098 0.000 3/31500 300.0 1.822 1.440 1.130 0.000 0.095 0.000 3/31500 310.0 1.759 1.390 1.092 0.000 0.091 0.000 3/31500 320.0 1.701 1.344 1.056 0.000 0.088 0.000 3/31500 330.0 1.646 1.301 1.023 0.000 0.085 0.000 3/31500 340.0 1.595 1.260 0.992 0.000 0.083 0.000 3/31500 350.0 1.547 1.222 0.962 0.000 0.080 0.000 3/31500 360.0 1.502 1.187 0.935 0.000 0.078 0.000 3/31500 370.0 1.460 1.153 0.909 0.000 0.075 0.000 3/31500 380.0 1.420 1.121 0.884 0.000 0.073 0.000 3/31500 390.0 1.382 1.091 0.861 0.000 0.071 0.000 3/31500 400.0 1.346 1.063 0.839 0.000 0.069 0.000 3/31500 410.0 1.312 1.036 0.818 0.000 0.068 0.000 3/31500 420.0 1.280 1.011 0.798 0.000 0.066 0.000 3/31500 430.0 1.249 0.986 0.779 0.000 0.064 0.000 3/31500 440.0 1.220 0.963 0.761 0.000 0.063 0.000 3/31500 450.0 1.192 0.941 0.743 0.000 0.061 0.000 3/31500 460.0 1.165 0.920 0.727 0.000 0.060 0.000 3/31500 470.0 1.140 0.900 0.711 0.000 0.059 0.000 3/31500 480.0 1.116 0.881 0.696 0.000 0.057 0.000 3/31500 490.0 1.092 0.862 0.682 0.000 0.056 0.000 3/31500 500.0 1.070 0.845 0.668 0.000 0.055 0.000 3/31500 510.0 1.049 0.828 0.655 0.000 0.054 0.000 3/31500 520.0 1.028 0.812 0.642 0.000 0.053 0.000 3/31500 530.0 1.008 0.796 0.630 0.000 0.052 0.000 3/31500 540.0 0.989 0.781 0.618 0.000 0.051 0.000 3/31500 550.0 0.971 0.766 0.606 0.000 0.050 0.000 3/31500 560.0 0.953 0.752 0.596 0.000 0.049 0.000 3/31500 570.0 0.936 0.739 0.585 0.000 0.048 0.000 3/31500 580.0 0.920 0.726 0.575 0.000 0.047 0.000 3/31500 590.0 0.904 0.714 0.565 0.000 0.046 0.000 3/31500 600.0 0.889 0.701 0.555 0.000 0.046 0.000 3/31500 610.0 0.874 0.690 0.546 0.000 0.045 0.000 3/31500 620.0 0.860 0.679 0.537 0.000 0.044 0.000 3/31500 630.0 0.846 0.668 0.529 0.000 0.043 0.000 3/31500 640.0 0.833 0.657 0.520 0.000 0.043 0.000 3/31500 650.0 0.820 0.647 0.512 0.000 0.042 0.000 3/31500 660.0 0.807 0.637 0.505 0.000 0.041 0.000 3/31500 670.0 0.795 0.627 0.497 0.000 0.041 0.000 3/31500 680.0 0.783 0.618 0.490 0.000 0.040 0.000 3/31500 690.0 0.772 0.609 0.482 0.000 0.039 0.000 3/31500 700.0 0.760 0.600 0.476 0.000 0.039 0.000 3/31500 710.0 0.750 0.592 0.469 0.000 0.038 0.000 3/31500 720.0 0.739 0.583 0.462 0.000 0.038 0.000 3/31500 730.0 0.729 0.575 0.456 0.000 0.037 0.000 3/31500 740.0 0.719 0.567 0.450 0.000 0.037 0.000 3/31500 750.0 0.709 0.560 0.444 0.000 0.036 0.000 3/31500 760.0 0.700 0.552 0.438 0.000 0.036 0.000 3/31500 770.0 0.691 0.545 0.432 0.000 0.035 0.000 3/31500 780.0 0.682 0.538 0.427 0.000 0.035 0.000 3/31500 790.0 0.673 0.531 0.421 0.000 0.034 0.000 3/31500 800.0 0.665 0.524 0.416 0.000 0.034 0.000 3/31500 810.0 0.656 0.518 0.411 0.000 0.034 0.000 3/31500 820.0 0.648 0.511 0.406 0.000 0.033 0.000 3/31500 830.0 0.640 0.505 0.401 0.000 0.033 0.000 3/31500 840.0 0.633 0.499 0.396 0.000 0.032 0.000 3/31500 850.0 0.625 0.493 0.391 0.000 0.032 0.000 3/31500 860.0 0.618 0.488 0.387 0.000 0.032 0.000 3/31500 870.0 0.611 0.482 0.382 0.000 0.031 0.000 3/31500 880.0 0.604 0.476 0.378 0.000 0.031 0.000 3/31500 890.0 0.597 0.471 0.374 0.000 0.031 0.000 3/31500 900.0 0.590 0.466 0.369 0.000 0.030 0.000 3/31500 910.0 0.584 0.461 0.365 0.000 0.030 0.000 3/31500 920.0 0.577 0.456 0.361 0.000 0.030 0.000 3/31500 930.0 0.571 0.451 0.357 0.000 0.029 0.000 3/31500 940.0 0.565 0.446 0.354 0.000 0.029 0.000 3/31500 950.0 0.559 0.441 0.350 0.000 0.029 0.000 3/31500 960.0 0.553 0.436 0.346 0.000 0.028 0.000 3/31500 970.0 0.548 0.432 0.343 0.000 0.028 0.000 3/31500 980.0 0.542 0.427 0.339 0.000 0.028 0.000 3/31500 990.0 0.536 0.423 0.336 0.000 0.027 0.000 3/31500 1000.0 0.531 0.419 0.332 0.000 0.027 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:12:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|