----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:39:49]------------------------- 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: [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.057974730000325 0.000000000000000 0.000000000000000 b 0.000000000000000 5.284151500000000 0.000000000000000 c -7.278154740247017 0.000000000000000 14.144572188383121 Atomic positions (fractional): *1 Li 0.39866716713584 0.21039741863588 0.69535760473693 6.941 2 Li 0.60133283286416 0.71039741863588 0.80464239526307 6.941 3 Li 0.60133283286416 0.78960258136412 0.30464239526307 6.941 4 Li 0.39866716713584 0.28960258136412 0.19535760473693 6.941 *5 Li 0.65413907183796 0.37143585270277 0.61561078683762 6.941 6 Li 0.34586092816204 0.87143585270277 0.88438921316238 6.941 7 Li 0.34586092816204 0.62856414729723 0.38438921316239 6.941 8 Li 0.65413907183796 0.12856414729723 0.11561078683761 6.941 *9 Li 0.12647009289586 0.33272984271425 0.25669874382433 6.941 10 Li 0.87352990710414 0.83272984271425 0.24330125617567 6.941 *11 Li 0.74052090748376 0.64725893467472 0.51570503757037 6.941 12 Li 0.25947909251624 0.14725893467472 0.98429496242963 6.941 13 Li 0.25947909251624 0.35274106532528 0.48429496242963 6.941 14 Li 0.74052090748376 0.85274106532528 0.01570503757037 6.941 *15 Li 0.99215318866297 0.19407513439983 0.54303000255282 6.941 16 Li 0.00784681133703 0.69407513439983 0.95696999744718 6.941 17 Li 0.00784681133703 0.80592486560017 0.45696999744717 6.941 18 Li 0.99215318866297 0.30592486560017 0.04303000255282 6.941 *19 Li 0.82305028331680 0.01471107067122 0.62150979005063 6.941 20 Li 0.17694971668320 0.51471107067122 0.87849020994937 6.941 21 Li 0.17694971668320 0.98528892932878 0.37849020994937 6.941 22 Li 0.82305028331680 0.48528892932878 0.12150979005063 6.941 23 Li 0.87352990710414 0.66727015728575 0.74330125617567 6.941 24 Li 0.12647009289586 0.16727015728575 0.75669874382433 6.941 *25 O 0.87114882672487 0.27200363238084 0.73167915252628 15.999 *26 O 0.66445209705764 0.76922961558289 0.12004024909010 15.999 27 O 0.33554790294236 0.23077038441712 0.87995975090990 15.999 28 O 0.66445209705764 0.73077038441711 0.62004024909010 15.999 *29 O 0.44285704270773 0.31947594038275 0.08879468057976 15.999 30 O 0.55714295729227 0.81947594038275 0.41120531942024 15.999 31 O 0.12885117327513 0.77200363238084 0.76832084747372 15.999 32 O 0.44285704270773 0.18052405961725 0.58879468057976 15.999 *33 O 0.38309541999949 0.70842678912172 0.18526500731902 15.999 34 O 0.61690458000051 0.20842678912172 0.31473499268098 15.999 35 O 0.61690458000051 0.29157321087828 0.81473499268098 15.999 36 O 0.38309541999949 0.79157321087828 0.68526500731902 15.999 37 O 0.12885117327513 0.72799636761916 0.26832084747372 15.999 38 O 0.87114882672487 0.22799636761916 0.23167915252628 15.999 *39 O 0.73383712571410 0.27925483292827 0.51784091193114 15.999 40 O 0.26616287428590 0.77925483292827 0.98215908806886 15.999 41 O 0.26616287428590 0.72074516707173 0.48215908806886 15.999 42 O 0.73383712571410 0.22074516707173 0.01784091193114 15.999 *43 O 0.97963845736213 0.82499634250780 0.57141836544651 15.999 44 O 0.02036154263787 0.32499634250781 0.92858163455349 15.999 45 O 0.02036154263787 0.17500365749219 0.42858163455349 15.999 46 O 0.55714295729227 0.68052405961725 0.91120531942024 15.999 *47 O 0.16088479299556 0.34425203176259 0.66008318942024 15.999 48 O 0.83911520700444 0.84425203176259 0.83991681057976 15.999 49 O 0.83911520700444 0.65574796823741 0.33991681057977 15.999 50 O 0.16088479299556 0.15574796823741 0.16008318942024 15.999 51 O 0.33554790294236 0.26922961558288 0.37995975090990 15.999 52 O 0.97963845736213 0.67500365749220 0.07141836544651 15.999 *53 Ge 0.43994785305021 0.85136508192735 0.58659200652125 72.640 54 Ge 0.56005214694979 0.35136508192735 0.91340799347875 72.640 55 Ge 0.56005214694979 0.14863491807265 0.41340799347875 72.640 56 Ge 0.43994785305021 0.64863491807265 0.08659200652125 72.640 *57 Ge 0.15661176220588 0.67195210401642 0.66977455899152 72.640 58 Ge 0.84338823779412 0.17195210401642 0.83022544100848 72.640 59 Ge 0.84338823779412 0.32804789598358 0.33022544100848 72.640 60 Ge 0.15661176220588 0.82804789598358 0.16977455899152 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.057974730000325 0.000000000000000 0.000000000000000 b 0.000000000000000 5.284151500000000 0.000000000000000 c -7.278154740247017 0.000000000000000 14.144572188383121 Atomic positions (fractional): *1 Li 0.39866716713584 0.21039741863588 0.69535760473693 6.941 > 1 2 Li 0.60133283286416 0.71039741863588 0.80464239526307 6.941 > 2 3 Li 0.60133283286416 0.78960258136412 0.30464239526307 6.941 > 3 4 Li 0.39866716713584 0.28960258136412 0.19535760473693 6.941 > 4 *5 Li 0.65413907183796 0.37143585270277 0.61561078683762 6.941 > 5 6 Li 0.34586092816204 0.87143585270277 0.88438921316238 6.941 > 6 7 Li 0.34586092816204 0.62856414729723 0.38438921316239 6.941 > 7 8 Li 0.65413907183796 0.12856414729723 0.11561078683761 6.941 > 8 *9 Li 0.12647009289586 0.33272984271425 0.25669874382433 6.941 > 9 10 Li 0.87352990710414 0.83272984271425 0.24330125617567 6.941 > 10 *11 Li 0.74052090748376 0.64725893467472 0.51570503757037 6.941 > 11 12 Li 0.25947909251624 0.14725893467472 0.98429496242963 6.941 > 12 13 Li 0.25947909251624 0.35274106532528 0.48429496242963 6.941 > 13 14 Li 0.74052090748376 0.85274106532528 0.01570503757037 6.941 > 14 *15 Li 0.99215318866297 0.19407513439983 0.54303000255282 6.941 > 15 16 Li 0.00784681133703 0.69407513439983 0.95696999744718 6.941 > 16 17 Li 0.00784681133703 0.80592486560017 0.45696999744717 6.941 > 17 18 Li 0.99215318866297 0.30592486560017 0.04303000255282 6.941 > 18 *19 Li 0.82305028331680 0.01471107067122 0.62150979005063 6.941 > 19 20 Li 0.17694971668320 0.51471107067122 0.87849020994937 6.941 > 20 21 Li 0.17694971668320 0.98528892932878 0.37849020994937 6.941 > 21 22 Li 0.82305028331680 0.48528892932878 0.12150979005063 6.941 > 22 23 Li 0.87352990710414 0.66727015728575 0.74330125617567 6.941 > 23 24 Li 0.12647009289586 0.16727015728575 0.75669874382433 6.941 > 24 *25 O 0.87114882672487 0.27200363238084 0.73167915252628 15.999 > 25 *26 O 0.66445209705764 0.76922961558289 0.12004024909010 15.999 > 26 27 O 0.33554790294236 0.23077038441712 0.87995975090990 15.999 > 27 28 O 0.66445209705764 0.73077038441711 0.62004024909010 15.999 > 28 *29 O 0.44285704270773 0.31947594038275 0.08879468057976 15.999 > 29 30 O 0.55714295729227 0.81947594038275 0.41120531942024 15.999 > 30 31 O 0.12885117327513 0.77200363238084 0.76832084747372 15.999 > 31 32 O 0.44285704270773 0.18052405961725 0.58879468057976 15.999 > 32 *33 O 0.38309541999949 0.70842678912172 0.18526500731902 15.999 > 33 34 O 0.61690458000051 0.20842678912172 0.31473499268098 15.999 > 34 35 O 0.61690458000051 0.29157321087828 0.81473499268098 15.999 > 35 36 O 0.38309541999949 0.79157321087828 0.68526500731902 15.999 > 36 37 O 0.12885117327513 0.72799636761916 0.26832084747372 15.999 > 37 38 O 0.87114882672487 0.22799636761916 0.23167915252628 15.999 > 38 *39 O 0.73383712571410 0.27925483292827 0.51784091193114 15.999 > 39 40 O 0.26616287428590 0.77925483292827 0.98215908806886 15.999 > 40 41 O 0.26616287428590 0.72074516707173 0.48215908806886 15.999 > 41 42 O 0.73383712571410 0.22074516707173 0.01784091193114 15.999 > 42 *43 O 0.97963845736213 0.82499634250780 0.57141836544651 15.999 > 43 44 O 0.02036154263787 0.32499634250781 0.92858163455349 15.999 > 44 45 O 0.02036154263787 0.17500365749219 0.42858163455349 15.999 > 45 46 O 0.55714295729227 0.68052405961725 0.91120531942024 15.999 > 46 *47 O 0.16088479299556 0.34425203176259 0.66008318942024 15.999 > 47 48 O 0.83911520700444 0.84425203176259 0.83991681057976 15.999 > 48 49 O 0.83911520700444 0.65574796823741 0.33991681057977 15.999 > 49 50 O 0.16088479299556 0.15574796823741 0.16008318942024 15.999 > 50 51 O 0.33554790294236 0.26922961558288 0.37995975090990 15.999 > 51 52 O 0.97963845736213 0.67500365749220 0.07141836544651 15.999 > 52 *53 Ge 0.43994785305021 0.85136508192735 0.58659200652125 72.640 > 53 54 Ge 0.56005214694979 0.35136508192735 0.91340799347875 72.640 > 54 55 Ge 0.56005214694979 0.14863491807265 0.41340799347875 72.640 > 55 56 Ge 0.43994785305021 0.64863491807265 0.08659200652125 72.640 > 56 *57 Ge 0.15661176220588 0.67195210401642 0.66977455899152 72.640 > 57 58 Ge 0.84338823779412 0.17195210401642 0.83022544100848 72.640 > 58 59 Ge 0.84338823779412 0.32804789598358 0.33022544100848 72.640 > 59 60 Ge 0.15661176220588 0.82804789598358 0.16977455899152 72.640 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.057974730000325 0.000000000000000 0.000000000000000 b 0.000000000000000 10.568303000000000 0.000000000000000 c -7.278154740247017 0.000000000000000 14.144572188383121 Atomic positions (fractional): *1 Li 0.39866716713584 0.10519870931794 0.69535760473693 6.941 > 1 2 Li 0.39866716713584 0.60519870931794 0.69535760473693 6.941 > 1 3 Li 0.60133283286416 0.35519870931794 0.80464239526307 6.941 > 2 4 Li 0.60133283286416 0.85519870931794 0.80464239526307 6.941 > 2 5 Li 0.60133283286416 0.39480129068206 0.30464239526307 6.941 > 3 6 Li 0.60133283286416 0.89480129068206 0.30464239526307 6.941 > 3 7 Li 0.39866716713584 0.14480129068206 0.19535760473693 6.941 > 4 8 Li 0.39866716713584 0.64480129068206 0.19535760473693 6.941 > 4 *9 Li 0.65413907183796 0.18571792635138 0.61561078683762 6.941 > 5 10 Li 0.65413907183796 0.68571792635138 0.61561078683762 6.941 > 5 11 Li 0.34586092816204 0.43571792635138 0.88438921316238 6.941 > 6 12 Li 0.34586092816204 0.93571792635138 0.88438921316238 6.941 > 6 13 Li 0.34586092816204 0.31428207364862 0.38438921316239 6.941 > 7 14 Li 0.34586092816204 0.81428207364862 0.38438921316239 6.941 > 7 15 Li 0.65413907183796 0.06428207364862 0.11561078683761 6.941 > 8 16 Li 0.65413907183796 0.56428207364862 0.11561078683761 6.941 > 8 *17 Li 0.12647009289586 0.16636492135713 0.25669874382433 6.941 > 9 18 Li 0.12647009289586 0.66636492135713 0.25669874382433 6.941 > 9 19 Li 0.87352990710414 0.41636492135713 0.24330125617567 6.941 > 10 20 Li 0.87352990710414 0.91636492135713 0.24330125617567 6.941 > 10 *21 Li 0.74052090748376 0.32362946733736 0.51570503757037 6.941 > 11 22 Li 0.74052090748376 0.82362946733736 0.51570503757037 6.941 > 11 23 Li 0.25947909251624 0.07362946733736 0.98429496242963 6.941 > 12 24 Li 0.25947909251624 0.57362946733736 0.98429496242963 6.941 > 12 25 Li 0.25947909251624 0.17637053266264 0.48429496242963 6.941 > 13 26 Li 0.25947909251624 0.67637053266264 0.48429496242963 6.941 > 13 27 Li 0.74052090748376 0.42637053266264 0.01570503757037 6.941 > 14 28 Li 0.74052090748376 0.92637053266264 0.01570503757037 6.941 > 14 *29 Li 0.99215318866297 0.09703756719991 0.54303000255282 6.941 > 15 30 Li 0.99215318866297 0.59703756719991 0.54303000255282 6.941 > 15 31 Li 0.00784681133703 0.34703756719991 0.95696999744718 6.941 > 16 32 Li 0.00784681133703 0.84703756719991 0.95696999744718 6.941 > 16 33 Li 0.00784681133703 0.40296243280009 0.45696999744717 6.941 > 17 34 Li 0.00784681133703 0.90296243280009 0.45696999744717 6.941 > 17 35 Li 0.99215318866297 0.15296243280009 0.04303000255282 6.941 > 18 36 Li 0.99215318866297 0.65296243280009 0.04303000255282 6.941 > 18 *37 Li 0.82305028331680 0.00735553533561 0.62150979005063 6.941 > 19 38 Li 0.82305028331680 0.50735553533561 0.62150979005063 6.941 > 19 39 Li 0.17694971668320 0.25735553533561 0.87849020994937 6.941 > 20 40 Li 0.17694971668320 0.75735553533561 0.87849020994937 6.941 > 20 41 Li 0.17694971668320 0.49264446466439 0.37849020994937 6.941 > 21 42 Li 0.17694971668320 0.99264446466439 0.37849020994937 6.941 > 21 43 Li 0.82305028331680 0.24264446466439 0.12150979005063 6.941 > 22 44 Li 0.82305028331680 0.74264446466439 0.12150979005063 6.941 > 22 45 Li 0.87352990710414 0.33363507864287 0.74330125617567 6.941 > 23 46 Li 0.87352990710414 0.83363507864287 0.74330125617567 6.941 > 23 47 Li 0.12647009289586 0.08363507864287 0.75669874382433 6.941 > 24 48 Li 0.12647009289586 0.58363507864287 0.75669874382433 6.941 > 24 *49 O 0.87114882672487 0.13600181619042 0.73167915252628 15.999 > 25 50 O 0.87114882672487 0.63600181619042 0.73167915252628 15.999 > 25 *51 O 0.66445209705764 0.38461480779144 0.12004024909010 15.999 > 26 52 O 0.66445209705764 0.88461480779144 0.12004024909010 15.999 > 26 53 O 0.33554790294236 0.11538519220856 0.87995975090990 15.999 > 27 54 O 0.33554790294236 0.61538519220856 0.87995975090990 15.999 > 27 55 O 0.66445209705764 0.36538519220856 0.62004024909010 15.999 > 28 56 O 0.66445209705764 0.86538519220856 0.62004024909010 15.999 > 28 *57 O 0.44285704270773 0.15973797019137 0.08879468057976 15.999 > 29 58 O 0.44285704270773 0.65973797019137 0.08879468057976 15.999 > 29 59 O 0.55714295729227 0.40973797019137 0.41120531942024 15.999 > 30 60 O 0.55714295729227 0.90973797019137 0.41120531942024 15.999 > 30 61 O 0.12885117327513 0.38600181619042 0.76832084747372 15.999 > 31 62 O 0.12885117327513 0.88600181619042 0.76832084747372 15.999 > 31 63 O 0.44285704270773 0.09026202980863 0.58879468057976 15.999 > 32 64 O 0.44285704270773 0.59026202980863 0.58879468057976 15.999 > 32 *65 O 0.38309541999949 0.35421339456086 0.18526500731902 15.999 > 33 66 O 0.38309541999949 0.85421339456086 0.18526500731902 15.999 > 33 67 O 0.61690458000051 0.10421339456086 0.31473499268098 15.999 > 34 68 O 0.61690458000051 0.60421339456086 0.31473499268098 15.999 > 34 69 O 0.61690458000051 0.14578660543914 0.81473499268098 15.999 > 35 70 O 0.61690458000051 0.64578660543914 0.81473499268098 15.999 > 35 71 O 0.38309541999949 0.39578660543914 0.68526500731902 15.999 > 36 72 O 0.38309541999949 0.89578660543914 0.68526500731902 15.999 > 36 73 O 0.12885117327513 0.36399818380958 0.26832084747372 15.999 > 37 74 O 0.12885117327513 0.86399818380958 0.26832084747372 15.999 > 37 75 O 0.87114882672487 0.11399818380958 0.23167915252628 15.999 > 38 76 O 0.87114882672487 0.61399818380958 0.23167915252628 15.999 > 38 *77 O 0.73383712571410 0.13962741646413 0.51784091193114 15.999 > 39 78 O 0.73383712571410 0.63962741646413 0.51784091193114 15.999 > 39 79 O 0.26616287428590 0.38962741646413 0.98215908806886 15.999 > 40 80 O 0.26616287428590 0.88962741646413 0.98215908806886 15.999 > 40 81 O 0.26616287428590 0.36037258353587 0.48215908806886 15.999 > 41 82 O 0.26616287428590 0.86037258353587 0.48215908806886 15.999 > 41 83 O 0.73383712571410 0.11037258353587 0.01784091193114 15.999 > 42 84 O 0.73383712571410 0.61037258353587 0.01784091193114 15.999 > 42 *85 O 0.97963845736213 0.41249817125390 0.57141836544651 15.999 > 43 86 O 0.97963845736213 0.91249817125390 0.57141836544651 15.999 > 43 87 O 0.02036154263787 0.16249817125390 0.92858163455349 15.999 > 44 88 O 0.02036154263787 0.66249817125390 0.92858163455349 15.999 > 44 89 O 0.02036154263787 0.08750182874610 0.42858163455349 15.999 > 45 90 O 0.02036154263787 0.58750182874610 0.42858163455349 15.999 > 45 91 O 0.55714295729227 0.34026202980863 0.91120531942024 15.999 > 46 92 O 0.55714295729227 0.84026202980863 0.91120531942024 15.999 > 46 *93 O 0.16088479299556 0.17212601588129 0.66008318942024 15.999 > 47 94 O 0.16088479299556 0.67212601588129 0.66008318942024 15.999 > 47 95 O 0.83911520700444 0.42212601588129 0.83991681057976 15.999 > 48 96 O 0.83911520700444 0.92212601588129 0.83991681057976 15.999 > 48 97 O 0.83911520700444 0.32787398411871 0.33991681057977 15.999 > 49 98 O 0.83911520700444 0.82787398411871 0.33991681057977 15.999 > 49 99 O 0.16088479299556 0.07787398411871 0.16008318942024 15.999 > 50 100 O 0.16088479299556 0.57787398411871 0.16008318942024 15.999 > 50 101 O 0.33554790294236 0.13461480779144 0.37995975090990 15.999 > 51 102 O 0.33554790294236 0.63461480779144 0.37995975090990 15.999 > 51 103 O 0.97963845736213 0.33750182874610 0.07141836544651 15.999 > 52 104 O 0.97963845736213 0.83750182874610 0.07141836544651 15.999 > 52 *105 Ge 0.43994785305021 0.42568254096368 0.58659200652125 72.640 > 53 106 Ge 0.43994785305021 0.92568254096368 0.58659200652125 72.640 > 53 107 Ge 0.56005214694979 0.17568254096368 0.91340799347875 72.640 > 54 108 Ge 0.56005214694979 0.67568254096368 0.91340799347875 72.640 > 54 109 Ge 0.56005214694979 0.07431745903632 0.41340799347875 72.640 > 55 110 Ge 0.56005214694979 0.57431745903632 0.41340799347875 72.640 > 55 111 Ge 0.43994785305021 0.32431745903632 0.08659200652125 72.640 > 56 112 Ge 0.43994785305021 0.82431745903632 0.08659200652125 72.640 > 56 *113 Ge 0.15661176220588 0.33597605200821 0.66977455899152 72.640 > 57 114 Ge 0.15661176220588 0.83597605200821 0.66977455899152 72.640 > 57 115 Ge 0.84338823779412 0.08597605200821 0.83022544100848 72.640 > 58 116 Ge 0.84338823779412 0.58597605200821 0.83022544100848 72.640 > 58 117 Ge 0.84338823779412 0.16402394799179 0.33022544100848 72.640 > 59 118 Ge 0.84338823779412 0.66402394799179 0.33022544100848 72.640 > 59 119 Ge 0.15661176220588 0.41402394799179 0.16977455899152 72.640 > 60 120 Ge 0.15661176220588 0.91402394799179 0.16977455899152 72.640 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0648741 0.0000000 -0.0472181 0.0000000 3.0051965 0.0000000 -0.0472609 0.0000000 2.9797657 -------------------------- Born effective charges -------------------------- 1 Li 0.9238721 -0.0073372 0.0622727 -0.2039061 1.0276854 0.0866137 0.0367340 0.0956733 1.0459718 2 Li 0.9238721 0.0073372 0.0622727 0.2039061 1.0276854 -0.0866137 0.0367340 -0.0956733 1.0459718 3 Li 0.9238721 -0.0073372 0.0622727 -0.2039061 1.0276854 0.0866137 0.0367340 0.0956733 1.0459718 4 Li 0.9238721 0.0073372 0.0622727 0.2039061 1.0276854 -0.0866137 0.0367340 -0.0956733 1.0459718 5 Li 0.8627602 -0.0659131 -0.0349972 0.0859159 1.0565304 0.0378585 -0.0087148 -0.0094925 1.0773994 6 Li 0.8627602 0.0659131 -0.0349972 -0.0859159 1.0565304 -0.0378585 -0.0087148 0.0094925 1.0773994 7 Li 0.8627602 -0.0659131 -0.0349972 0.0859159 1.0565304 0.0378585 -0.0087148 -0.0094925 1.0773994 8 Li 0.8627602 0.0659131 -0.0349972 -0.0859159 1.0565304 -0.0378585 -0.0087148 0.0094925 1.0773994 9 Li 1.0650935 0.0388143 0.1414078 -0.0889786 1.0691736 0.0404905 -0.0544987 -0.0575023 0.9677078 10 Li 1.0650935 -0.0388143 0.1414078 0.0889786 1.0691736 -0.0404905 -0.0544987 0.0575023 0.9677078 11 Li 1.0433497 0.0373023 -0.0940112 -0.0964245 1.0561001 -0.0573480 0.0580818 0.1155745 0.9582011 12 Li 1.0433497 -0.0373023 -0.0940112 0.0964245 1.0561001 0.0573480 0.0580818 -0.1155745 0.9582011 13 Li 1.0433497 0.0373023 -0.0940112 -0.0964245 1.0561001 -0.0573480 0.0580818 0.1155745 0.9582011 14 Li 1.0433497 -0.0373023 -0.0940112 0.0964245 1.0561001 0.0573480 0.0580818 -0.1155745 0.9582011 15 Li 0.9745903 -0.0507077 0.0421775 0.0730129 1.0007685 0.0922631 0.0279981 -0.0563720 1.0568478 16 Li 0.9745903 0.0507077 0.0421775 -0.0730129 1.0007685 -0.0922631 0.0279981 0.0563720 1.0568478 17 Li 0.9745903 -0.0507077 0.0421775 0.0730129 1.0007685 0.0922631 0.0279981 -0.0563720 1.0568478 18 Li 0.9745903 0.0507077 0.0421775 -0.0730129 1.0007685 -0.0922631 0.0279981 0.0563720 1.0568478 19 Li 1.1472596 -0.0249538 -0.0226338 -0.0307246 0.9909197 0.0217416 0.0233084 -0.0115833 1.0879449 20 Li 1.1472596 0.0249538 -0.0226338 0.0307246 0.9909197 -0.0217416 0.0233084 0.0115833 1.0879449 21 Li 1.1472596 -0.0249538 -0.0226338 -0.0307246 0.9909197 0.0217416 0.0233084 -0.0115833 1.0879449 22 Li 1.1472596 0.0249538 -0.0226338 0.0307246 0.9909197 -0.0217416 0.0233084 0.0115833 1.0879449 23 Li 1.0650935 0.0388143 0.1414078 -0.0889786 1.0691736 0.0404905 -0.0544987 -0.0575023 0.9677078 24 Li 1.0650935 -0.0388143 0.1414078 0.0889786 1.0691736 -0.0404905 -0.0544987 0.0575023 0.9677078 25 O -1.6775149 -0.0553635 0.1808422 -0.1114866 -1.5455343 0.0607497 0.3137006 0.1071817 -1.9691954 26 O -2.0418153 -0.2125851 -0.1478682 -0.2280031 -1.5727433 -0.0817569 -0.1863464 -0.0505336 -1.5139966 27 O -2.0418153 -0.2125851 -0.1478682 -0.2280031 -1.5727433 -0.0817569 -0.1863464 -0.0505336 -1.5139966 28 O -2.0418153 0.2125851 -0.1478682 0.2280031 -1.5727433 0.0817569 -0.1863464 0.0505336 -1.5139966 29 O -1.4422216 0.1109062 0.1135264 0.0017770 -2.0818258 0.0069971 0.0113658 -0.0255288 -1.4784757 30 O -1.4422216 -0.1109062 0.1135264 -0.0017770 -2.0818258 -0.0069971 0.0113658 0.0255288 -1.4784757 31 O -1.6775149 0.0553635 0.1808422 0.1114866 -1.5455343 -0.0607497 0.3137006 -0.1071817 -1.9691954 32 O -1.4422216 -0.1109062 0.1135264 -0.0017770 -2.0818258 -0.0069971 0.0113658 0.0255288 -1.4784757 33 O -2.4812372 0.4430091 0.4057173 0.4617990 -1.4043906 -0.1880556 0.3996410 -0.1356895 -1.6577128 34 O -2.4812372 -0.4430091 0.4057173 -0.4617990 -1.4043906 0.1880556 0.3996410 0.1356895 -1.6577128 35 O -2.4812372 0.4430091 0.4057173 0.4617990 -1.4043906 -0.1880556 0.3996410 -0.1356895 -1.6577128 36 O -2.4812372 -0.4430091 0.4057173 -0.4617990 -1.4043906 0.1880556 0.3996410 0.1356895 -1.6577128 37 O -1.6775149 -0.0553635 0.1808422 -0.1114866 -1.5455343 0.0607497 0.3137006 0.1071817 -1.9691954 38 O -1.6775149 0.0553635 0.1808422 0.1114866 -1.5455343 -0.0607497 0.3137006 -0.1071817 -1.9691954 39 O -1.5264860 -0.0240259 -0.0097037 -0.0989408 -1.5634290 -0.1802476 -0.1619564 -0.1754712 -1.9265119 40 O -1.5264860 0.0240259 -0.0097037 0.0989408 -1.5634290 0.1802476 -0.1619564 0.1754712 -1.9265119 41 O -1.5264860 -0.0240259 -0.0097037 -0.0989408 -1.5634290 -0.1802476 -0.1619564 -0.1754712 -1.9265119 42 O -1.5264860 0.0240259 -0.0097037 0.0989408 -1.5634290 0.1802476 -0.1619564 0.1754712 -1.9265119 43 O -1.6600137 0.1466518 -0.2239915 0.1233270 -1.5858327 0.2047554 -0.1712647 0.2832337 -1.8307971 44 O -1.6600137 -0.1466518 -0.2239915 -0.1233270 -1.5858327 -0.2047554 -0.1712647 -0.2832337 -1.8307971 45 O -1.6600137 0.1466518 -0.2239915 0.1233270 -1.5858327 0.2047554 -0.1712647 0.2832337 -1.8307971 46 O -1.4422216 0.1109062 0.1135264 0.0017770 -2.0818258 0.0069971 0.0113658 -0.0255288 -1.4784757 47 O -1.4384693 -0.0033344 -0.0536721 0.0510843 -2.1819737 -0.0648834 0.0439965 -0.0006994 -1.4526451 48 O -1.4384693 0.0033344 -0.0536721 -0.0510843 -2.1819737 0.0648834 0.0439965 0.0006994 -1.4526451 49 O -1.4384693 -0.0033344 -0.0536721 0.0510843 -2.1819737 -0.0648834 0.0439965 -0.0006994 -1.4526451 50 O -1.4384693 0.0033344 -0.0536721 -0.0510843 -2.1819737 0.0648834 0.0439965 0.0006994 -1.4526451 51 O -2.0418153 0.2125851 -0.1478682 0.2280031 -1.5727433 0.0817569 -0.1863464 0.0505336 -1.5139966 52 O -1.6600137 -0.1466518 -0.2239915 -0.1233270 -1.5858327 -0.2047554 -0.1712647 -0.2832337 -1.8307971 53 Ge 3.0853076 0.0653166 -0.4416316 0.1017982 2.8066265 -0.0929796 -0.0497339 0.0085599 2.8829381 54 Ge 3.0853076 -0.0653166 -0.4416316 -0.1017982 2.8066265 0.0929796 -0.0497339 -0.0085599 2.8829381 55 Ge 3.0853076 0.0653166 -0.4416316 0.1017982 2.8066265 -0.0929796 -0.0497339 0.0085599 2.8829381 56 Ge 3.0853076 -0.0653166 -0.4416316 -0.1017982 2.8066265 0.0929796 -0.0497339 -0.0085599 2.8829381 57 Ge 3.1655249 0.1053011 0.0825654 0.0490419 2.9279252 -0.0659717 -0.2823114 -0.1516285 2.7523238 58 Ge 3.1655249 -0.1053011 0.0825654 -0.0490419 2.9279252 0.0659717 -0.2823114 0.1516285 2.7523238 59 Ge 3.1655249 0.1053011 0.0825654 0.0490419 2.9279252 -0.0659717 -0.2823114 -0.1516285 2.7523238 60 Ge 3.1655249 -0.1053011 0.0825654 -0.0490419 2.9279252 0.0659717 -0.2823114 0.1516285 2.7523238 ---------------------------------------------------------------------------- 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: 8235 Number of blocks in projector: 8235 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) 227 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1800 / 1800 (1) 273 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 78 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) 227 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1800 / 1800 (1) 273 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 78 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: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (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: 945 / 945 (1) 430 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: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (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: 945 / 945 (1) 430 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: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (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: 945 / 945 (1) 430 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: - (8235, 8101), data: False |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), 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, 78), data: (1800, 108) @ (108, 78) |-- (300, 273), data: True |-- (500, 475), data: False |-- (500, 18), data: (500, 43) @ (43, 18) |-- (250, 227), 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, 78), data: (1800, 108) @ (108, 78) |-- (300, 273), data: True |-- (500, 475), data: False |-- (500, 18), data: (500, 43) @ (43, 18) |-- (250, 227), 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: 2.401 Solver_block: 200 / 1840 - Time: 2.106 Solver_block: 300 / 1840 - Time: 2.109 Solver_block: 400 / 1840 - Time: 2.111 Solver_block: 500 / 1840 - Time: 2.109 Solver_block: 600 / 1840 - Time: 2.107 Solver_block: 700 / 1840 - Time: 2.107 Solver_block: 800 / 1840 - Time: 2.101 Solver_block: 900 / 1840 - Time: 2.104 Solver_block: 1000 / 1840 - Time: 2.098 Solver_block: 1100 / 1840 - Time: 2.108 Solver_block: 1200 / 1840 - Time: 2.108 Solver_block: 1300 / 1840 - Time: 2.109 Solver_block: 1400 / 1840 - Time: 2.103 Solver_block: 1500 / 1840 - Time: 2.112 Solver_block: 1600 / 1840 - Time: 2.103 Solver_block: 1700 / 1840 - Time: 2.105 Solver_block: 1800 / 1840 - Time: 2.106 Solver_block: 1840 / 1840 - Time: 1.015 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 40.338 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 8235 Number of blocks in projector: 8235 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) 227 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1800 / 1800 (1) 273 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 78 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) 227 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1800 / 1800 (1) 273 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 78 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: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (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: 945 / 945 (1) 430 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: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (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: 945 / 945 (1) 430 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: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (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: 945 / 945 (1) 430 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: - (8235, 8101), data: False |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), 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, 78), data: (1800, 108) @ (108, 78) |-- (300, 273), data: True |-- (500, 475), data: False |-- (500, 18), data: (500, 43) @ (43, 18) |-- (250, 227), 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, 78), data: (1800, 108) @ (108, 78) |-- (300, 273), data: True |-- (500, 475), data: False |-- (500, 18), data: (500, 43) @ (43, 18) |-- (250, 227), 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:41:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:41:54]------------------------- 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): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.057974730000325 0.000000000000000 0.000000000000000 b 0.000000000000000 5.284151500000000 0.000000000000000 c -7.278154740247017 0.000000000000000 14.144572188383121 Atomic positions (fractional): 1 Li 0.39866716713584 0.21039741863588 0.69535760473693 6.941 2 Li 0.60133283286416 0.71039741863588 0.80464239526307 6.941 3 Li 0.60133283286416 0.78960258136412 0.30464239526307 6.941 4 Li 0.39866716713584 0.28960258136412 0.19535760473693 6.941 5 Li 0.65413907183796 0.37143585270277 0.61561078683762 6.941 6 Li 0.34586092816204 0.87143585270277 0.88438921316238 6.941 7 Li 0.34586092816204 0.62856414729723 0.38438921316239 6.941 8 Li 0.65413907183796 0.12856414729723 0.11561078683761 6.941 9 Li 0.12647009289586 0.33272984271425 0.25669874382433 6.941 10 Li 0.87352990710414 0.83272984271425 0.24330125617567 6.941 11 Li 0.74052090748376 0.64725893467472 0.51570503757037 6.941 12 Li 0.25947909251624 0.14725893467472 0.98429496242963 6.941 13 Li 0.25947909251624 0.35274106532528 0.48429496242963 6.941 14 Li 0.74052090748376 0.85274106532528 0.01570503757037 6.941 15 Li 0.99215318866297 0.19407513439983 0.54303000255282 6.941 16 Li 0.00784681133703 0.69407513439983 0.95696999744718 6.941 17 Li 0.00784681133703 0.80592486560017 0.45696999744717 6.941 18 Li 0.99215318866297 0.30592486560017 0.04303000255282 6.941 19 Li 0.82305028331680 0.01471107067122 0.62150979005063 6.941 20 Li 0.17694971668320 0.51471107067122 0.87849020994937 6.941 21 Li 0.17694971668320 0.98528892932878 0.37849020994937 6.941 22 Li 0.82305028331680 0.48528892932878 0.12150979005063 6.941 23 Li 0.87352990710414 0.66727015728575 0.74330125617567 6.941 24 Li 0.12647009289586 0.16727015728575 0.75669874382433 6.941 25 O 0.87114882672487 0.27200363238084 0.73167915252628 15.999 26 O 0.66445209705764 0.76922961558289 0.12004024909010 15.999 27 O 0.33554790294236 0.23077038441712 0.87995975090990 15.999 28 O 0.66445209705764 0.73077038441711 0.62004024909010 15.999 29 O 0.44285704270773 0.31947594038275 0.08879468057976 15.999 30 O 0.55714295729227 0.81947594038275 0.41120531942024 15.999 31 O 0.12885117327513 0.77200363238084 0.76832084747372 15.999 32 O 0.44285704270773 0.18052405961725 0.58879468057976 15.999 33 O 0.38309541999949 0.70842678912172 0.18526500731902 15.999 34 O 0.61690458000051 0.20842678912172 0.31473499268098 15.999 35 O 0.61690458000051 0.29157321087828 0.81473499268098 15.999 36 O 0.38309541999949 0.79157321087828 0.68526500731902 15.999 37 O 0.12885117327513 0.72799636761916 0.26832084747372 15.999 38 O 0.87114882672487 0.22799636761916 0.23167915252628 15.999 39 O 0.73383712571410 0.27925483292827 0.51784091193114 15.999 40 O 0.26616287428590 0.77925483292827 0.98215908806886 15.999 41 O 0.26616287428590 0.72074516707173 0.48215908806886 15.999 42 O 0.73383712571410 0.22074516707173 0.01784091193114 15.999 43 O 0.97963845736213 0.82499634250780 0.57141836544651 15.999 44 O 0.02036154263787 0.32499634250781 0.92858163455349 15.999 45 O 0.02036154263787 0.17500365749219 0.42858163455349 15.999 46 O 0.55714295729227 0.68052405961725 0.91120531942024 15.999 47 O 0.16088479299556 0.34425203176259 0.66008318942024 15.999 48 O 0.83911520700444 0.84425203176259 0.83991681057976 15.999 49 O 0.83911520700444 0.65574796823741 0.33991681057977 15.999 50 O 0.16088479299556 0.15574796823741 0.16008318942024 15.999 51 O 0.33554790294236 0.26922961558288 0.37995975090990 15.999 52 O 0.97963845736213 0.67500365749220 0.07141836544651 15.999 53 Ge 0.43994785305021 0.85136508192735 0.58659200652125 72.640 54 Ge 0.56005214694979 0.35136508192735 0.91340799347875 72.640 55 Ge 0.56005214694979 0.14863491807265 0.41340799347875 72.640 56 Ge 0.43994785305021 0.64863491807265 0.08659200652125 72.640 57 Ge 0.15661176220588 0.67195210401642 0.66977455899152 72.640 58 Ge 0.84338823779412 0.17195210401642 0.83022544100848 72.640 59 Ge 0.84338823779412 0.32804789598358 0.33022544100848 72.640 60 Ge 0.15661176220588 0.82804789598358 0.16977455899152 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.057974730000325 0.000000000000000 0.000000000000000 b 0.000000000000000 10.568303000000000 0.000000000000000 c -7.278154740247017 0.000000000000000 14.144572188383121 Atomic positions (fractional): 1 Li 0.39866716713584 0.10519870931794 0.69535760473693 6.941 > 1 2 Li 0.39866716713584 0.60519870931794 0.69535760473693 6.941 > 1 3 Li 0.60133283286416 0.35519870931794 0.80464239526307 6.941 > 3 4 Li 0.60133283286416 0.85519870931794 0.80464239526307 6.941 > 3 5 Li 0.60133283286416 0.39480129068206 0.30464239526307 6.941 > 5 6 Li 0.60133283286416 0.89480129068206 0.30464239526307 6.941 > 5 7 Li 0.39866716713584 0.14480129068206 0.19535760473693 6.941 > 7 8 Li 0.39866716713584 0.64480129068206 0.19535760473693 6.941 > 7 9 Li 0.65413907183796 0.18571792635138 0.61561078683762 6.941 > 9 10 Li 0.65413907183796 0.68571792635138 0.61561078683762 6.941 > 9 11 Li 0.34586092816204 0.43571792635138 0.88438921316238 6.941 > 11 12 Li 0.34586092816204 0.93571792635138 0.88438921316238 6.941 > 11 13 Li 0.34586092816204 0.31428207364862 0.38438921316239 6.941 > 13 14 Li 0.34586092816204 0.81428207364862 0.38438921316239 6.941 > 13 15 Li 0.65413907183796 0.06428207364862 0.11561078683761 6.941 > 15 16 Li 0.65413907183796 0.56428207364862 0.11561078683761 6.941 > 15 17 Li 0.12647009289586 0.16636492135713 0.25669874382433 6.941 > 17 18 Li 0.12647009289586 0.66636492135713 0.25669874382433 6.941 > 17 19 Li 0.87352990710414 0.41636492135713 0.24330125617567 6.941 > 19 20 Li 0.87352990710414 0.91636492135713 0.24330125617567 6.941 > 19 21 Li 0.74052090748376 0.32362946733736 0.51570503757037 6.941 > 21 22 Li 0.74052090748376 0.82362946733736 0.51570503757037 6.941 > 21 23 Li 0.25947909251624 0.07362946733736 0.98429496242963 6.941 > 23 24 Li 0.25947909251624 0.57362946733736 0.98429496242963 6.941 > 23 25 Li 0.25947909251624 0.17637053266264 0.48429496242963 6.941 > 25 26 Li 0.25947909251624 0.67637053266264 0.48429496242963 6.941 > 25 27 Li 0.74052090748376 0.42637053266264 0.01570503757037 6.941 > 27 28 Li 0.74052090748376 0.92637053266264 0.01570503757037 6.941 > 27 29 Li 0.99215318866297 0.09703756719991 0.54303000255282 6.941 > 29 30 Li 0.99215318866297 0.59703756719991 0.54303000255282 6.941 > 29 31 Li 0.00784681133703 0.34703756719991 0.95696999744718 6.941 > 31 32 Li 0.00784681133703 0.84703756719991 0.95696999744718 6.941 > 31 33 Li 0.00784681133703 0.40296243280009 0.45696999744717 6.941 > 33 34 Li 0.00784681133703 0.90296243280009 0.45696999744717 6.941 > 33 35 Li 0.99215318866297 0.15296243280009 0.04303000255282 6.941 > 35 36 Li 0.99215318866297 0.65296243280009 0.04303000255282 6.941 > 35 37 Li 0.82305028331680 0.00735553533561 0.62150979005063 6.941 > 37 38 Li 0.82305028331680 0.50735553533561 0.62150979005063 6.941 > 37 39 Li 0.17694971668320 0.25735553533561 0.87849020994937 6.941 > 39 40 Li 0.17694971668320 0.75735553533561 0.87849020994937 6.941 > 39 41 Li 0.17694971668320 0.49264446466439 0.37849020994937 6.941 > 41 42 Li 0.17694971668320 0.99264446466439 0.37849020994937 6.941 > 41 43 Li 0.82305028331680 0.24264446466439 0.12150979005063 6.941 > 43 44 Li 0.82305028331680 0.74264446466439 0.12150979005063 6.941 > 43 45 Li 0.87352990710414 0.33363507864287 0.74330125617567 6.941 > 45 46 Li 0.87352990710414 0.83363507864287 0.74330125617567 6.941 > 45 47 Li 0.12647009289586 0.08363507864287 0.75669874382433 6.941 > 47 48 Li 0.12647009289586 0.58363507864287 0.75669874382433 6.941 > 47 49 O 0.87114882672487 0.13600181619042 0.73167915252628 15.999 > 49 50 O 0.87114882672487 0.63600181619042 0.73167915252628 15.999 > 49 51 O 0.66445209705764 0.38461480779144 0.12004024909010 15.999 > 51 52 O 0.66445209705764 0.88461480779144 0.12004024909010 15.999 > 51 53 O 0.33554790294236 0.11538519220856 0.87995975090990 15.999 > 53 54 O 0.33554790294236 0.61538519220856 0.87995975090990 15.999 > 53 55 O 0.66445209705764 0.36538519220856 0.62004024909010 15.999 > 55 56 O 0.66445209705764 0.86538519220856 0.62004024909010 15.999 > 55 57 O 0.44285704270773 0.15973797019137 0.08879468057976 15.999 > 57 58 O 0.44285704270773 0.65973797019137 0.08879468057976 15.999 > 57 59 O 0.55714295729227 0.40973797019137 0.41120531942024 15.999 > 59 60 O 0.55714295729227 0.90973797019137 0.41120531942024 15.999 > 59 61 O 0.12885117327513 0.38600181619042 0.76832084747372 15.999 > 61 62 O 0.12885117327513 0.88600181619042 0.76832084747372 15.999 > 61 63 O 0.44285704270773 0.09026202980863 0.58879468057976 15.999 > 63 64 O 0.44285704270773 0.59026202980863 0.58879468057976 15.999 > 63 65 O 0.38309541999949 0.35421339456086 0.18526500731902 15.999 > 65 66 O 0.38309541999949 0.85421339456086 0.18526500731902 15.999 > 65 67 O 0.61690458000051 0.10421339456086 0.31473499268098 15.999 > 67 68 O 0.61690458000051 0.60421339456086 0.31473499268098 15.999 > 67 69 O 0.61690458000051 0.14578660543914 0.81473499268098 15.999 > 69 70 O 0.61690458000051 0.64578660543914 0.81473499268098 15.999 > 69 71 O 0.38309541999949 0.39578660543914 0.68526500731902 15.999 > 71 72 O 0.38309541999949 0.89578660543914 0.68526500731902 15.999 > 71 73 O 0.12885117327513 0.36399818380958 0.26832084747372 15.999 > 73 74 O 0.12885117327513 0.86399818380958 0.26832084747372 15.999 > 73 75 O 0.87114882672487 0.11399818380958 0.23167915252628 15.999 > 75 76 O 0.87114882672487 0.61399818380958 0.23167915252628 15.999 > 75 77 O 0.73383712571410 0.13962741646413 0.51784091193114 15.999 > 77 78 O 0.73383712571410 0.63962741646413 0.51784091193114 15.999 > 77 79 O 0.26616287428590 0.38962741646413 0.98215908806886 15.999 > 79 80 O 0.26616287428590 0.88962741646413 0.98215908806886 15.999 > 79 81 O 0.26616287428590 0.36037258353587 0.48215908806886 15.999 > 81 82 O 0.26616287428590 0.86037258353587 0.48215908806886 15.999 > 81 83 O 0.73383712571410 0.11037258353587 0.01784091193114 15.999 > 83 84 O 0.73383712571410 0.61037258353587 0.01784091193114 15.999 > 83 85 O 0.97963845736213 0.41249817125390 0.57141836544651 15.999 > 85 86 O 0.97963845736213 0.91249817125390 0.57141836544651 15.999 > 85 87 O 0.02036154263787 0.16249817125390 0.92858163455349 15.999 > 87 88 O 0.02036154263787 0.66249817125390 0.92858163455349 15.999 > 87 89 O 0.02036154263787 0.08750182874610 0.42858163455349 15.999 > 89 90 O 0.02036154263787 0.58750182874610 0.42858163455349 15.999 > 89 91 O 0.55714295729227 0.34026202980863 0.91120531942024 15.999 > 91 92 O 0.55714295729227 0.84026202980863 0.91120531942024 15.999 > 91 93 O 0.16088479299556 0.17212601588129 0.66008318942024 15.999 > 93 94 O 0.16088479299556 0.67212601588129 0.66008318942024 15.999 > 93 95 O 0.83911520700444 0.42212601588129 0.83991681057976 15.999 > 95 96 O 0.83911520700444 0.92212601588129 0.83991681057976 15.999 > 95 97 O 0.83911520700444 0.32787398411871 0.33991681057977 15.999 > 97 98 O 0.83911520700444 0.82787398411871 0.33991681057977 15.999 > 97 99 O 0.16088479299556 0.07787398411871 0.16008318942024 15.999 > 99 100 O 0.16088479299556 0.57787398411871 0.16008318942024 15.999 > 99 101 O 0.33554790294236 0.13461480779144 0.37995975090990 15.999 > 101 102 O 0.33554790294236 0.63461480779144 0.37995975090990 15.999 > 101 103 O 0.97963845736213 0.33750182874610 0.07141836544651 15.999 > 103 104 O 0.97963845736213 0.83750182874610 0.07141836544651 15.999 > 103 105 Ge 0.43994785305021 0.42568254096368 0.58659200652125 72.640 > 105 106 Ge 0.43994785305021 0.92568254096368 0.58659200652125 72.640 > 105 107 Ge 0.56005214694979 0.17568254096368 0.91340799347875 72.640 > 107 108 Ge 0.56005214694979 0.67568254096368 0.91340799347875 72.640 > 107 109 Ge 0.56005214694979 0.07431745903632 0.41340799347875 72.640 > 109 110 Ge 0.56005214694979 0.57431745903632 0.41340799347875 72.640 > 109 111 Ge 0.43994785305021 0.32431745903632 0.08659200652125 72.640 > 111 112 Ge 0.43994785305021 0.82431745903632 0.08659200652125 72.640 > 111 113 Ge 0.15661176220588 0.33597605200821 0.66977455899152 72.640 > 113 114 Ge 0.15661176220588 0.83597605200821 0.66977455899152 72.640 > 113 115 Ge 0.84338823779412 0.08597605200821 0.83022544100848 72.640 > 115 116 Ge 0.84338823779412 0.58597605200821 0.83022544100848 72.640 > 115 117 Ge 0.84338823779412 0.16402394799179 0.33022544100848 72.640 > 117 118 Ge 0.84338823779412 0.66402394799179 0.33022544100848 72.640 > 117 119 Ge 0.15661176220588 0.41402394799179 0.16977455899152 72.640 > 119 120 Ge 0.15661176220588 0.91402394799179 0.16977455899152 72.640 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0648741 0.0000000 -0.0472181 0.0000000 3.0051965 0.0000000 -0.0472609 0.0000000 2.9797657 -------------------------- Born effective charges -------------------------- 1 Li 0.9238721 -0.0073372 0.0622727 -0.2039061 1.0276854 0.0866137 0.0367340 0.0956733 1.0459718 2 Li 0.9238721 0.0073372 0.0622727 0.2039061 1.0276854 -0.0866137 0.0367340 -0.0956733 1.0459718 3 Li 0.9238721 -0.0073372 0.0622727 -0.2039061 1.0276854 0.0866137 0.0367340 0.0956733 1.0459718 4 Li 0.9238721 0.0073372 0.0622727 0.2039061 1.0276854 -0.0866137 0.0367340 -0.0956733 1.0459718 5 Li 0.8627602 -0.0659131 -0.0349972 0.0859159 1.0565304 0.0378585 -0.0087148 -0.0094925 1.0773994 6 Li 0.8627602 0.0659131 -0.0349972 -0.0859159 1.0565304 -0.0378585 -0.0087148 0.0094925 1.0773994 7 Li 0.8627602 -0.0659131 -0.0349972 0.0859159 1.0565304 0.0378585 -0.0087148 -0.0094925 1.0773994 8 Li 0.8627602 0.0659131 -0.0349972 -0.0859159 1.0565304 -0.0378585 -0.0087148 0.0094925 1.0773994 9 Li 1.0650935 0.0388143 0.1414078 -0.0889786 1.0691736 0.0404905 -0.0544987 -0.0575023 0.9677078 10 Li 1.0650935 -0.0388143 0.1414078 0.0889786 1.0691736 -0.0404905 -0.0544987 0.0575023 0.9677078 11 Li 1.0433497 0.0373023 -0.0940112 -0.0964245 1.0561001 -0.0573480 0.0580818 0.1155745 0.9582011 12 Li 1.0433497 -0.0373023 -0.0940112 0.0964245 1.0561001 0.0573480 0.0580818 -0.1155745 0.9582011 13 Li 1.0433497 0.0373023 -0.0940112 -0.0964245 1.0561001 -0.0573480 0.0580818 0.1155745 0.9582011 14 Li 1.0433497 -0.0373023 -0.0940112 0.0964245 1.0561001 0.0573480 0.0580818 -0.1155745 0.9582011 15 Li 0.9745903 -0.0507077 0.0421775 0.0730129 1.0007685 0.0922631 0.0279981 -0.0563720 1.0568478 16 Li 0.9745903 0.0507077 0.0421775 -0.0730129 1.0007685 -0.0922631 0.0279981 0.0563720 1.0568478 17 Li 0.9745903 -0.0507077 0.0421775 0.0730129 1.0007685 0.0922631 0.0279981 -0.0563720 1.0568478 18 Li 0.9745903 0.0507077 0.0421775 -0.0730129 1.0007685 -0.0922631 0.0279981 0.0563720 1.0568478 19 Li 1.1472596 -0.0249538 -0.0226338 -0.0307246 0.9909197 0.0217416 0.0233084 -0.0115833 1.0879449 20 Li 1.1472596 0.0249538 -0.0226338 0.0307246 0.9909197 -0.0217416 0.0233084 0.0115833 1.0879449 21 Li 1.1472596 -0.0249538 -0.0226338 -0.0307246 0.9909197 0.0217416 0.0233084 -0.0115833 1.0879449 22 Li 1.1472596 0.0249538 -0.0226338 0.0307246 0.9909197 -0.0217416 0.0233084 0.0115833 1.0879449 23 Li 1.0650935 0.0388143 0.1414078 -0.0889786 1.0691736 0.0404905 -0.0544987 -0.0575023 0.9677078 24 Li 1.0650935 -0.0388143 0.1414078 0.0889786 1.0691736 -0.0404905 -0.0544987 0.0575023 0.9677078 25 O -1.6775149 -0.0553635 0.1808422 -0.1114866 -1.5455343 0.0607497 0.3137006 0.1071817 -1.9691954 26 O -2.0418153 -0.2125851 -0.1478682 -0.2280031 -1.5727433 -0.0817569 -0.1863464 -0.0505336 -1.5139966 27 O -2.0418153 -0.2125851 -0.1478682 -0.2280031 -1.5727433 -0.0817569 -0.1863464 -0.0505336 -1.5139966 28 O -2.0418153 0.2125851 -0.1478682 0.2280031 -1.5727433 0.0817569 -0.1863464 0.0505336 -1.5139966 29 O -1.4422216 0.1109062 0.1135264 0.0017770 -2.0818258 0.0069971 0.0113658 -0.0255288 -1.4784757 30 O -1.4422216 -0.1109062 0.1135264 -0.0017770 -2.0818258 -0.0069971 0.0113658 0.0255288 -1.4784757 31 O -1.6775149 0.0553635 0.1808422 0.1114866 -1.5455343 -0.0607497 0.3137006 -0.1071817 -1.9691954 32 O -1.4422216 -0.1109062 0.1135264 -0.0017770 -2.0818258 -0.0069971 0.0113658 0.0255288 -1.4784757 33 O -2.4812372 0.4430091 0.4057173 0.4617990 -1.4043906 -0.1880556 0.3996410 -0.1356895 -1.6577128 34 O -2.4812372 -0.4430091 0.4057173 -0.4617990 -1.4043906 0.1880556 0.3996410 0.1356895 -1.6577128 35 O -2.4812372 0.4430091 0.4057173 0.4617990 -1.4043906 -0.1880556 0.3996410 -0.1356895 -1.6577128 36 O -2.4812372 -0.4430091 0.4057173 -0.4617990 -1.4043906 0.1880556 0.3996410 0.1356895 -1.6577128 37 O -1.6775149 -0.0553635 0.1808422 -0.1114866 -1.5455343 0.0607497 0.3137006 0.1071817 -1.9691954 38 O -1.6775149 0.0553635 0.1808422 0.1114866 -1.5455343 -0.0607497 0.3137006 -0.1071817 -1.9691954 39 O -1.5264860 -0.0240259 -0.0097037 -0.0989408 -1.5634290 -0.1802476 -0.1619564 -0.1754712 -1.9265119 40 O -1.5264860 0.0240259 -0.0097037 0.0989408 -1.5634290 0.1802476 -0.1619564 0.1754712 -1.9265119 41 O -1.5264860 -0.0240259 -0.0097037 -0.0989408 -1.5634290 -0.1802476 -0.1619564 -0.1754712 -1.9265119 42 O -1.5264860 0.0240259 -0.0097037 0.0989408 -1.5634290 0.1802476 -0.1619564 0.1754712 -1.9265119 43 O -1.6600137 0.1466518 -0.2239915 0.1233270 -1.5858327 0.2047554 -0.1712647 0.2832337 -1.8307971 44 O -1.6600137 -0.1466518 -0.2239915 -0.1233270 -1.5858327 -0.2047554 -0.1712647 -0.2832337 -1.8307971 45 O -1.6600137 0.1466518 -0.2239915 0.1233270 -1.5858327 0.2047554 -0.1712647 0.2832337 -1.8307971 46 O -1.4422216 0.1109062 0.1135264 0.0017770 -2.0818258 0.0069971 0.0113658 -0.0255288 -1.4784757 47 O -1.4384693 -0.0033344 -0.0536721 0.0510843 -2.1819737 -0.0648834 0.0439965 -0.0006994 -1.4526451 48 O -1.4384693 0.0033344 -0.0536721 -0.0510843 -2.1819737 0.0648834 0.0439965 0.0006994 -1.4526451 49 O -1.4384693 -0.0033344 -0.0536721 0.0510843 -2.1819737 -0.0648834 0.0439965 -0.0006994 -1.4526451 50 O -1.4384693 0.0033344 -0.0536721 -0.0510843 -2.1819737 0.0648834 0.0439965 0.0006994 -1.4526451 51 O -2.0418153 0.2125851 -0.1478682 0.2280031 -1.5727433 0.0817569 -0.1863464 0.0505336 -1.5139966 52 O -1.6600137 -0.1466518 -0.2239915 -0.1233270 -1.5858327 -0.2047554 -0.1712647 -0.2832337 -1.8307971 53 Ge 3.0853076 0.0653166 -0.4416316 0.1017982 2.8066265 -0.0929796 -0.0497339 0.0085599 2.8829381 54 Ge 3.0853076 -0.0653166 -0.4416316 -0.1017982 2.8066265 0.0929796 -0.0497339 -0.0085599 2.8829381 55 Ge 3.0853076 0.0653166 -0.4416316 0.1017982 2.8066265 -0.0929796 -0.0497339 0.0085599 2.8829381 56 Ge 3.0853076 -0.0653166 -0.4416316 -0.1017982 2.8066265 0.0929796 -0.0497339 -0.0085599 2.8829381 57 Ge 3.1655249 0.1053011 0.0825654 0.0490419 2.9279252 -0.0659717 -0.2823114 -0.1516285 2.7523238 58 Ge 3.1655249 -0.1053011 0.0825654 -0.0490419 2.9279252 0.0659717 -0.2823114 0.1516285 2.7523238 59 Ge 3.1655249 0.1053011 0.0825654 0.0490419 2.9279252 -0.0659717 -0.2823114 -0.1516285 2.7523238 60 Ge 3.1655249 -0.1053011 0.0825654 -0.0490419 2.9279252 0.0659717 -0.2823114 0.1516285 2.7523238 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 29, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 85, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 93, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 105, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 113, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:43:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:43:11]------------------------- 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): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.057974730000325 0.000000000000000 0.000000000000000 b 0.000000000000000 5.284151500000000 0.000000000000000 c -7.278154740247017 0.000000000000000 14.144572188383121 Atomic positions (fractional): 1 Li 0.39866716713584 0.21039741863588 0.69535760473693 6.941 2 Li 0.60133283286416 0.71039741863588 0.80464239526307 6.941 3 Li 0.60133283286416 0.78960258136412 0.30464239526307 6.941 4 Li 0.39866716713584 0.28960258136412 0.19535760473693 6.941 5 Li 0.65413907183796 0.37143585270277 0.61561078683762 6.941 6 Li 0.34586092816204 0.87143585270277 0.88438921316238 6.941 7 Li 0.34586092816204 0.62856414729723 0.38438921316239 6.941 8 Li 0.65413907183796 0.12856414729723 0.11561078683761 6.941 9 Li 0.12647009289586 0.33272984271425 0.25669874382433 6.941 10 Li 0.87352990710414 0.83272984271425 0.24330125617567 6.941 11 Li 0.74052090748376 0.64725893467472 0.51570503757037 6.941 12 Li 0.25947909251624 0.14725893467472 0.98429496242963 6.941 13 Li 0.25947909251624 0.35274106532528 0.48429496242963 6.941 14 Li 0.74052090748376 0.85274106532528 0.01570503757037 6.941 15 Li 0.99215318866297 0.19407513439983 0.54303000255282 6.941 16 Li 0.00784681133703 0.69407513439983 0.95696999744718 6.941 17 Li 0.00784681133703 0.80592486560017 0.45696999744717 6.941 18 Li 0.99215318866297 0.30592486560017 0.04303000255282 6.941 19 Li 0.82305028331680 0.01471107067122 0.62150979005063 6.941 20 Li 0.17694971668320 0.51471107067122 0.87849020994937 6.941 21 Li 0.17694971668320 0.98528892932878 0.37849020994937 6.941 22 Li 0.82305028331680 0.48528892932878 0.12150979005063 6.941 23 Li 0.87352990710414 0.66727015728575 0.74330125617567 6.941 24 Li 0.12647009289586 0.16727015728575 0.75669874382433 6.941 25 O 0.87114882672487 0.27200363238084 0.73167915252628 15.999 26 O 0.66445209705764 0.76922961558289 0.12004024909010 15.999 27 O 0.33554790294236 0.23077038441712 0.87995975090990 15.999 28 O 0.66445209705764 0.73077038441711 0.62004024909010 15.999 29 O 0.44285704270773 0.31947594038275 0.08879468057976 15.999 30 O 0.55714295729227 0.81947594038275 0.41120531942024 15.999 31 O 0.12885117327513 0.77200363238084 0.76832084747372 15.999 32 O 0.44285704270773 0.18052405961725 0.58879468057976 15.999 33 O 0.38309541999949 0.70842678912172 0.18526500731902 15.999 34 O 0.61690458000051 0.20842678912172 0.31473499268098 15.999 35 O 0.61690458000051 0.29157321087828 0.81473499268098 15.999 36 O 0.38309541999949 0.79157321087828 0.68526500731902 15.999 37 O 0.12885117327513 0.72799636761916 0.26832084747372 15.999 38 O 0.87114882672487 0.22799636761916 0.23167915252628 15.999 39 O 0.73383712571410 0.27925483292827 0.51784091193114 15.999 40 O 0.26616287428590 0.77925483292827 0.98215908806886 15.999 41 O 0.26616287428590 0.72074516707173 0.48215908806886 15.999 42 O 0.73383712571410 0.22074516707173 0.01784091193114 15.999 43 O 0.97963845736213 0.82499634250780 0.57141836544651 15.999 44 O 0.02036154263787 0.32499634250781 0.92858163455349 15.999 45 O 0.02036154263787 0.17500365749219 0.42858163455349 15.999 46 O 0.55714295729227 0.68052405961725 0.91120531942024 15.999 47 O 0.16088479299556 0.34425203176259 0.66008318942024 15.999 48 O 0.83911520700444 0.84425203176259 0.83991681057976 15.999 49 O 0.83911520700444 0.65574796823741 0.33991681057977 15.999 50 O 0.16088479299556 0.15574796823741 0.16008318942024 15.999 51 O 0.33554790294236 0.26922961558288 0.37995975090990 15.999 52 O 0.97963845736213 0.67500365749220 0.07141836544651 15.999 53 Ge 0.43994785305021 0.85136508192735 0.58659200652125 72.640 54 Ge 0.56005214694979 0.35136508192735 0.91340799347875 72.640 55 Ge 0.56005214694979 0.14863491807265 0.41340799347875 72.640 56 Ge 0.43994785305021 0.64863491807265 0.08659200652125 72.640 57 Ge 0.15661176220588 0.67195210401642 0.66977455899152 72.640 58 Ge 0.84338823779412 0.17195210401642 0.83022544100848 72.640 59 Ge 0.84338823779412 0.32804789598358 0.33022544100848 72.640 60 Ge 0.15661176220588 0.82804789598358 0.16977455899152 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.057974730000325 0.000000000000000 0.000000000000000 b 0.000000000000000 10.568303000000000 0.000000000000000 c -7.278154740247017 0.000000000000000 14.144572188383121 Atomic positions (fractional): 1 Li 0.39866716713584 0.10519870931794 0.69535760473693 6.941 > 1 2 Li 0.39866716713584 0.60519870931794 0.69535760473693 6.941 > 1 3 Li 0.60133283286416 0.35519870931794 0.80464239526307 6.941 > 3 4 Li 0.60133283286416 0.85519870931794 0.80464239526307 6.941 > 3 5 Li 0.60133283286416 0.39480129068206 0.30464239526307 6.941 > 5 6 Li 0.60133283286416 0.89480129068206 0.30464239526307 6.941 > 5 7 Li 0.39866716713584 0.14480129068206 0.19535760473693 6.941 > 7 8 Li 0.39866716713584 0.64480129068206 0.19535760473693 6.941 > 7 9 Li 0.65413907183796 0.18571792635138 0.61561078683762 6.941 > 9 10 Li 0.65413907183796 0.68571792635138 0.61561078683762 6.941 > 9 11 Li 0.34586092816204 0.43571792635138 0.88438921316238 6.941 > 11 12 Li 0.34586092816204 0.93571792635138 0.88438921316238 6.941 > 11 13 Li 0.34586092816204 0.31428207364862 0.38438921316239 6.941 > 13 14 Li 0.34586092816204 0.81428207364862 0.38438921316239 6.941 > 13 15 Li 0.65413907183796 0.06428207364862 0.11561078683761 6.941 > 15 16 Li 0.65413907183796 0.56428207364862 0.11561078683761 6.941 > 15 17 Li 0.12647009289586 0.16636492135713 0.25669874382433 6.941 > 17 18 Li 0.12647009289586 0.66636492135713 0.25669874382433 6.941 > 17 19 Li 0.87352990710414 0.41636492135713 0.24330125617567 6.941 > 19 20 Li 0.87352990710414 0.91636492135713 0.24330125617567 6.941 > 19 21 Li 0.74052090748376 0.32362946733736 0.51570503757037 6.941 > 21 22 Li 0.74052090748376 0.82362946733736 0.51570503757037 6.941 > 21 23 Li 0.25947909251624 0.07362946733736 0.98429496242963 6.941 > 23 24 Li 0.25947909251624 0.57362946733736 0.98429496242963 6.941 > 23 25 Li 0.25947909251624 0.17637053266264 0.48429496242963 6.941 > 25 26 Li 0.25947909251624 0.67637053266264 0.48429496242963 6.941 > 25 27 Li 0.74052090748376 0.42637053266264 0.01570503757037 6.941 > 27 28 Li 0.74052090748376 0.92637053266264 0.01570503757037 6.941 > 27 29 Li 0.99215318866297 0.09703756719991 0.54303000255282 6.941 > 29 30 Li 0.99215318866297 0.59703756719991 0.54303000255282 6.941 > 29 31 Li 0.00784681133703 0.34703756719991 0.95696999744718 6.941 > 31 32 Li 0.00784681133703 0.84703756719991 0.95696999744718 6.941 > 31 33 Li 0.00784681133703 0.40296243280009 0.45696999744717 6.941 > 33 34 Li 0.00784681133703 0.90296243280009 0.45696999744717 6.941 > 33 35 Li 0.99215318866297 0.15296243280009 0.04303000255282 6.941 > 35 36 Li 0.99215318866297 0.65296243280009 0.04303000255282 6.941 > 35 37 Li 0.82305028331680 0.00735553533561 0.62150979005063 6.941 > 37 38 Li 0.82305028331680 0.50735553533561 0.62150979005063 6.941 > 37 39 Li 0.17694971668320 0.25735553533561 0.87849020994937 6.941 > 39 40 Li 0.17694971668320 0.75735553533561 0.87849020994937 6.941 > 39 41 Li 0.17694971668320 0.49264446466439 0.37849020994937 6.941 > 41 42 Li 0.17694971668320 0.99264446466439 0.37849020994937 6.941 > 41 43 Li 0.82305028331680 0.24264446466439 0.12150979005063 6.941 > 43 44 Li 0.82305028331680 0.74264446466439 0.12150979005063 6.941 > 43 45 Li 0.87352990710414 0.33363507864287 0.74330125617567 6.941 > 45 46 Li 0.87352990710414 0.83363507864287 0.74330125617567 6.941 > 45 47 Li 0.12647009289586 0.08363507864287 0.75669874382433 6.941 > 47 48 Li 0.12647009289586 0.58363507864287 0.75669874382433 6.941 > 47 49 O 0.87114882672487 0.13600181619042 0.73167915252628 15.999 > 49 50 O 0.87114882672487 0.63600181619042 0.73167915252628 15.999 > 49 51 O 0.66445209705764 0.38461480779144 0.12004024909010 15.999 > 51 52 O 0.66445209705764 0.88461480779144 0.12004024909010 15.999 > 51 53 O 0.33554790294236 0.11538519220856 0.87995975090990 15.999 > 53 54 O 0.33554790294236 0.61538519220856 0.87995975090990 15.999 > 53 55 O 0.66445209705764 0.36538519220856 0.62004024909010 15.999 > 55 56 O 0.66445209705764 0.86538519220856 0.62004024909010 15.999 > 55 57 O 0.44285704270773 0.15973797019137 0.08879468057976 15.999 > 57 58 O 0.44285704270773 0.65973797019137 0.08879468057976 15.999 > 57 59 O 0.55714295729227 0.40973797019137 0.41120531942024 15.999 > 59 60 O 0.55714295729227 0.90973797019137 0.41120531942024 15.999 > 59 61 O 0.12885117327513 0.38600181619042 0.76832084747372 15.999 > 61 62 O 0.12885117327513 0.88600181619042 0.76832084747372 15.999 > 61 63 O 0.44285704270773 0.09026202980863 0.58879468057976 15.999 > 63 64 O 0.44285704270773 0.59026202980863 0.58879468057976 15.999 > 63 65 O 0.38309541999949 0.35421339456086 0.18526500731902 15.999 > 65 66 O 0.38309541999949 0.85421339456086 0.18526500731902 15.999 > 65 67 O 0.61690458000051 0.10421339456086 0.31473499268098 15.999 > 67 68 O 0.61690458000051 0.60421339456086 0.31473499268098 15.999 > 67 69 O 0.61690458000051 0.14578660543914 0.81473499268098 15.999 > 69 70 O 0.61690458000051 0.64578660543914 0.81473499268098 15.999 > 69 71 O 0.38309541999949 0.39578660543914 0.68526500731902 15.999 > 71 72 O 0.38309541999949 0.89578660543914 0.68526500731902 15.999 > 71 73 O 0.12885117327513 0.36399818380958 0.26832084747372 15.999 > 73 74 O 0.12885117327513 0.86399818380958 0.26832084747372 15.999 > 73 75 O 0.87114882672487 0.11399818380958 0.23167915252628 15.999 > 75 76 O 0.87114882672487 0.61399818380958 0.23167915252628 15.999 > 75 77 O 0.73383712571410 0.13962741646413 0.51784091193114 15.999 > 77 78 O 0.73383712571410 0.63962741646413 0.51784091193114 15.999 > 77 79 O 0.26616287428590 0.38962741646413 0.98215908806886 15.999 > 79 80 O 0.26616287428590 0.88962741646413 0.98215908806886 15.999 > 79 81 O 0.26616287428590 0.36037258353587 0.48215908806886 15.999 > 81 82 O 0.26616287428590 0.86037258353587 0.48215908806886 15.999 > 81 83 O 0.73383712571410 0.11037258353587 0.01784091193114 15.999 > 83 84 O 0.73383712571410 0.61037258353587 0.01784091193114 15.999 > 83 85 O 0.97963845736213 0.41249817125390 0.57141836544651 15.999 > 85 86 O 0.97963845736213 0.91249817125390 0.57141836544651 15.999 > 85 87 O 0.02036154263787 0.16249817125390 0.92858163455349 15.999 > 87 88 O 0.02036154263787 0.66249817125390 0.92858163455349 15.999 > 87 89 O 0.02036154263787 0.08750182874610 0.42858163455349 15.999 > 89 90 O 0.02036154263787 0.58750182874610 0.42858163455349 15.999 > 89 91 O 0.55714295729227 0.34026202980863 0.91120531942024 15.999 > 91 92 O 0.55714295729227 0.84026202980863 0.91120531942024 15.999 > 91 93 O 0.16088479299556 0.17212601588129 0.66008318942024 15.999 > 93 94 O 0.16088479299556 0.67212601588129 0.66008318942024 15.999 > 93 95 O 0.83911520700444 0.42212601588129 0.83991681057976 15.999 > 95 96 O 0.83911520700444 0.92212601588129 0.83991681057976 15.999 > 95 97 O 0.83911520700444 0.32787398411871 0.33991681057977 15.999 > 97 98 O 0.83911520700444 0.82787398411871 0.33991681057977 15.999 > 97 99 O 0.16088479299556 0.07787398411871 0.16008318942024 15.999 > 99 100 O 0.16088479299556 0.57787398411871 0.16008318942024 15.999 > 99 101 O 0.33554790294236 0.13461480779144 0.37995975090990 15.999 > 101 102 O 0.33554790294236 0.63461480779144 0.37995975090990 15.999 > 101 103 O 0.97963845736213 0.33750182874610 0.07141836544651 15.999 > 103 104 O 0.97963845736213 0.83750182874610 0.07141836544651 15.999 > 103 105 Ge 0.43994785305021 0.42568254096368 0.58659200652125 72.640 > 105 106 Ge 0.43994785305021 0.92568254096368 0.58659200652125 72.640 > 105 107 Ge 0.56005214694979 0.17568254096368 0.91340799347875 72.640 > 107 108 Ge 0.56005214694979 0.67568254096368 0.91340799347875 72.640 > 107 109 Ge 0.56005214694979 0.07431745903632 0.41340799347875 72.640 > 109 110 Ge 0.56005214694979 0.57431745903632 0.41340799347875 72.640 > 109 111 Ge 0.43994785305021 0.32431745903632 0.08659200652125 72.640 > 111 112 Ge 0.43994785305021 0.82431745903632 0.08659200652125 72.640 > 111 113 Ge 0.15661176220588 0.33597605200821 0.66977455899152 72.640 > 113 114 Ge 0.15661176220588 0.83597605200821 0.66977455899152 72.640 > 113 115 Ge 0.84338823779412 0.08597605200821 0.83022544100848 72.640 > 115 116 Ge 0.84338823779412 0.58597605200821 0.83022544100848 72.640 > 115 117 Ge 0.84338823779412 0.16402394799179 0.33022544100848 72.640 > 117 118 Ge 0.84338823779412 0.66402394799179 0.33022544100848 72.640 > 117 119 Ge 0.15661176220588 0.41402394799179 0.16977455899152 72.640 > 119 120 Ge 0.15661176220588 0.91402394799179 0.16977455899152 72.640 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0648741 0.0000000 -0.0472181 0.0000000 3.0051965 0.0000000 -0.0472609 0.0000000 2.9797657 -------------------------- Born effective charges -------------------------- 1 Li 0.9238721 -0.0073372 0.0622727 -0.2039061 1.0276854 0.0866137 0.0367340 0.0956733 1.0459718 2 Li 0.9238721 0.0073372 0.0622727 0.2039061 1.0276854 -0.0866137 0.0367340 -0.0956733 1.0459718 3 Li 0.9238721 -0.0073372 0.0622727 -0.2039061 1.0276854 0.0866137 0.0367340 0.0956733 1.0459718 4 Li 0.9238721 0.0073372 0.0622727 0.2039061 1.0276854 -0.0866137 0.0367340 -0.0956733 1.0459718 5 Li 0.8627602 -0.0659131 -0.0349972 0.0859159 1.0565304 0.0378585 -0.0087148 -0.0094925 1.0773994 6 Li 0.8627602 0.0659131 -0.0349972 -0.0859159 1.0565304 -0.0378585 -0.0087148 0.0094925 1.0773994 7 Li 0.8627602 -0.0659131 -0.0349972 0.0859159 1.0565304 0.0378585 -0.0087148 -0.0094925 1.0773994 8 Li 0.8627602 0.0659131 -0.0349972 -0.0859159 1.0565304 -0.0378585 -0.0087148 0.0094925 1.0773994 9 Li 1.0650935 0.0388143 0.1414078 -0.0889786 1.0691736 0.0404905 -0.0544987 -0.0575023 0.9677078 10 Li 1.0650935 -0.0388143 0.1414078 0.0889786 1.0691736 -0.0404905 -0.0544987 0.0575023 0.9677078 11 Li 1.0433497 0.0373023 -0.0940112 -0.0964245 1.0561001 -0.0573480 0.0580818 0.1155745 0.9582011 12 Li 1.0433497 -0.0373023 -0.0940112 0.0964245 1.0561001 0.0573480 0.0580818 -0.1155745 0.9582011 13 Li 1.0433497 0.0373023 -0.0940112 -0.0964245 1.0561001 -0.0573480 0.0580818 0.1155745 0.9582011 14 Li 1.0433497 -0.0373023 -0.0940112 0.0964245 1.0561001 0.0573480 0.0580818 -0.1155745 0.9582011 15 Li 0.9745903 -0.0507077 0.0421775 0.0730129 1.0007685 0.0922631 0.0279981 -0.0563720 1.0568478 16 Li 0.9745903 0.0507077 0.0421775 -0.0730129 1.0007685 -0.0922631 0.0279981 0.0563720 1.0568478 17 Li 0.9745903 -0.0507077 0.0421775 0.0730129 1.0007685 0.0922631 0.0279981 -0.0563720 1.0568478 18 Li 0.9745903 0.0507077 0.0421775 -0.0730129 1.0007685 -0.0922631 0.0279981 0.0563720 1.0568478 19 Li 1.1472596 -0.0249538 -0.0226338 -0.0307246 0.9909197 0.0217416 0.0233084 -0.0115833 1.0879449 20 Li 1.1472596 0.0249538 -0.0226338 0.0307246 0.9909197 -0.0217416 0.0233084 0.0115833 1.0879449 21 Li 1.1472596 -0.0249538 -0.0226338 -0.0307246 0.9909197 0.0217416 0.0233084 -0.0115833 1.0879449 22 Li 1.1472596 0.0249538 -0.0226338 0.0307246 0.9909197 -0.0217416 0.0233084 0.0115833 1.0879449 23 Li 1.0650935 0.0388143 0.1414078 -0.0889786 1.0691736 0.0404905 -0.0544987 -0.0575023 0.9677078 24 Li 1.0650935 -0.0388143 0.1414078 0.0889786 1.0691736 -0.0404905 -0.0544987 0.0575023 0.9677078 25 O -1.6775149 -0.0553635 0.1808422 -0.1114866 -1.5455343 0.0607497 0.3137006 0.1071817 -1.9691954 26 O -2.0418153 -0.2125851 -0.1478682 -0.2280031 -1.5727433 -0.0817569 -0.1863464 -0.0505336 -1.5139966 27 O -2.0418153 -0.2125851 -0.1478682 -0.2280031 -1.5727433 -0.0817569 -0.1863464 -0.0505336 -1.5139966 28 O -2.0418153 0.2125851 -0.1478682 0.2280031 -1.5727433 0.0817569 -0.1863464 0.0505336 -1.5139966 29 O -1.4422216 0.1109062 0.1135264 0.0017770 -2.0818258 0.0069971 0.0113658 -0.0255288 -1.4784757 30 O -1.4422216 -0.1109062 0.1135264 -0.0017770 -2.0818258 -0.0069971 0.0113658 0.0255288 -1.4784757 31 O -1.6775149 0.0553635 0.1808422 0.1114866 -1.5455343 -0.0607497 0.3137006 -0.1071817 -1.9691954 32 O -1.4422216 -0.1109062 0.1135264 -0.0017770 -2.0818258 -0.0069971 0.0113658 0.0255288 -1.4784757 33 O -2.4812372 0.4430091 0.4057173 0.4617990 -1.4043906 -0.1880556 0.3996410 -0.1356895 -1.6577128 34 O -2.4812372 -0.4430091 0.4057173 -0.4617990 -1.4043906 0.1880556 0.3996410 0.1356895 -1.6577128 35 O -2.4812372 0.4430091 0.4057173 0.4617990 -1.4043906 -0.1880556 0.3996410 -0.1356895 -1.6577128 36 O -2.4812372 -0.4430091 0.4057173 -0.4617990 -1.4043906 0.1880556 0.3996410 0.1356895 -1.6577128 37 O -1.6775149 -0.0553635 0.1808422 -0.1114866 -1.5455343 0.0607497 0.3137006 0.1071817 -1.9691954 38 O -1.6775149 0.0553635 0.1808422 0.1114866 -1.5455343 -0.0607497 0.3137006 -0.1071817 -1.9691954 39 O -1.5264860 -0.0240259 -0.0097037 -0.0989408 -1.5634290 -0.1802476 -0.1619564 -0.1754712 -1.9265119 40 O -1.5264860 0.0240259 -0.0097037 0.0989408 -1.5634290 0.1802476 -0.1619564 0.1754712 -1.9265119 41 O -1.5264860 -0.0240259 -0.0097037 -0.0989408 -1.5634290 -0.1802476 -0.1619564 -0.1754712 -1.9265119 42 O -1.5264860 0.0240259 -0.0097037 0.0989408 -1.5634290 0.1802476 -0.1619564 0.1754712 -1.9265119 43 O -1.6600137 0.1466518 -0.2239915 0.1233270 -1.5858327 0.2047554 -0.1712647 0.2832337 -1.8307971 44 O -1.6600137 -0.1466518 -0.2239915 -0.1233270 -1.5858327 -0.2047554 -0.1712647 -0.2832337 -1.8307971 45 O -1.6600137 0.1466518 -0.2239915 0.1233270 -1.5858327 0.2047554 -0.1712647 0.2832337 -1.8307971 46 O -1.4422216 0.1109062 0.1135264 0.0017770 -2.0818258 0.0069971 0.0113658 -0.0255288 -1.4784757 47 O -1.4384693 -0.0033344 -0.0536721 0.0510843 -2.1819737 -0.0648834 0.0439965 -0.0006994 -1.4526451 48 O -1.4384693 0.0033344 -0.0536721 -0.0510843 -2.1819737 0.0648834 0.0439965 0.0006994 -1.4526451 49 O -1.4384693 -0.0033344 -0.0536721 0.0510843 -2.1819737 -0.0648834 0.0439965 -0.0006994 -1.4526451 50 O -1.4384693 0.0033344 -0.0536721 -0.0510843 -2.1819737 0.0648834 0.0439965 0.0006994 -1.4526451 51 O -2.0418153 0.2125851 -0.1478682 0.2280031 -1.5727433 0.0817569 -0.1863464 0.0505336 -1.5139966 52 O -1.6600137 -0.1466518 -0.2239915 -0.1233270 -1.5858327 -0.2047554 -0.1712647 -0.2832337 -1.8307971 53 Ge 3.0853076 0.0653166 -0.4416316 0.1017982 2.8066265 -0.0929796 -0.0497339 0.0085599 2.8829381 54 Ge 3.0853076 -0.0653166 -0.4416316 -0.1017982 2.8066265 0.0929796 -0.0497339 -0.0085599 2.8829381 55 Ge 3.0853076 0.0653166 -0.4416316 0.1017982 2.8066265 -0.0929796 -0.0497339 0.0085599 2.8829381 56 Ge 3.0853076 -0.0653166 -0.4416316 -0.1017982 2.8066265 0.0929796 -0.0497339 -0.0085599 2.8829381 57 Ge 3.1655249 0.1053011 0.0825654 0.0490419 2.9279252 -0.0659717 -0.2823114 -0.1516285 2.7523238 58 Ge 3.1655249 -0.1053011 0.0825654 -0.0490419 2.9279252 0.0659717 -0.2823114 0.1516285 2.7523238 59 Ge 3.1655249 0.1053011 0.0825654 0.0490419 2.9279252 -0.0659717 -0.2823114 -0.1516285 2.7523238 60 Ge 3.1655249 -0.1053011 0.0825654 -0.0490419 2.9279252 0.0659717 -0.2823114 0.1516285 2.7523238 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 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 2.245 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.537 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 7.800 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.402 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 8.631 ( 0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 8.842 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.172 ( 0.000 0.000 0.000) 0.000 9.172 ( 0.000 0.000 0.000) 0.000 9.236 ( 0.000 0.000 0.000) 0.000 9.309 ( 0.000 0.000 0.000) 0.000 9.401 ( 0.000 0.000 0.000) 0.000 9.610 ( 0.000 0.000 0.000) 0.000 9.626 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.808 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 10.093 ( 0.000 0.000 0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.304 ( 0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 10.451 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.683 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 10.827 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 11.050 ( 0.000 0.000 0.000) 0.000 11.182 ( 0.000 0.000 0.000) 0.000 11.307 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.627 ( 0.000 0.000 0.000) 0.000 11.715 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 0.000 0.000) 0.000 11.955 ( 0.000 0.000 0.000) 0.000 11.979 ( 0.000 0.000 0.000) 0.000 12.259 ( 0.000 0.000 0.000) 0.000 12.408 ( 0.000 0.000 0.000) 0.000 12.420 ( 0.000 0.000 0.000) 0.000 12.559 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 12.705 ( 0.000 0.000 0.000) 0.000 12.779 ( 0.000 0.000 0.000) 0.000 12.850 ( 0.000 0.000 0.000) 0.000 12.890 ( 0.000 0.000 0.000) 0.000 13.115 ( 0.000 0.000 0.000) 0.000 13.295 ( 0.000 0.000 0.000) 0.000 13.375 ( 0.000 0.000 0.000) 0.000 13.452 ( 0.000 0.000 0.000) 0.000 13.586 ( 0.000 0.000 0.000) 0.000 13.964 ( 0.000 0.000 0.000) 0.000 14.101 ( 0.000 0.000 0.000) 0.000 14.323 ( 0.000 0.000 0.000) 0.000 14.325 ( 0.000 0.000 0.000) 0.000 14.420 ( 0.000 0.000 0.000) 0.000 14.425 ( 0.000 0.000 0.000) 0.000 14.482 ( 0.000 0.000 0.000) 0.000 14.588 ( 0.000 0.000 0.000) 0.000 14.642 ( 0.000 0.000 0.000) 0.000 14.677 ( 0.000 0.000 0.000) 0.000 15.040 ( 0.000 0.000 0.000) 0.000 15.233 ( 0.000 0.000 0.000) 0.000 15.250 ( 0.000 0.000 0.000) 0.000 15.283 ( 0.000 0.000 0.000) 0.000 15.306 ( 0.000 0.000 0.000) 0.000 15.601 ( 0.000 0.000 0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 15.681 ( 0.000 0.000 0.000) 0.000 15.689 ( 0.000 0.000 0.000) 0.000 15.779 ( 0.000 0.000 0.000) 0.000 15.858 ( 0.000 0.000 0.000) 0.000 15.891 ( 0.000 0.000 0.000) 0.000 16.095 ( 0.000 0.000 0.000) 0.000 16.154 ( 0.000 0.000 0.000) 0.000 16.195 ( 0.000 0.000 0.000) 0.000 16.382 ( 0.000 0.000 0.000) 0.000 16.447 ( 0.000 0.000 0.000) 0.000 16.504 ( 0.000 0.000 0.000) 0.000 16.659 ( 0.000 0.000 0.000) 0.000 16.692 ( 0.000 0.000 0.000) 0.000 17.001 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.139 ( 0.000 0.000 0.000) 0.000 17.249 ( 0.000 0.000 0.000) 0.000 17.263 ( 0.000 0.000 0.000) 0.000 17.331 ( 0.000 0.000 0.000) 0.000 17.441 ( 0.000 0.000 0.000) 0.000 17.483 ( 0.000 0.000 0.000) 0.000 17.496 ( 0.000 0.000 0.000) 0.000 17.545 ( 0.000 0.000 0.000) 0.000 17.950 ( 0.000 0.000 0.000) 0.000 18.350 ( 0.000 0.000 0.000) 0.000 18.357 ( 0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 0.000) 0.000 18.759 ( 0.000 0.000 0.000) 0.000 19.464 ( 0.000 0.000 0.000) 0.000 19.503 ( 0.000 0.000 0.000) 0.000 19.932 ( 0.000 0.000 0.000) 0.000 20.406 ( 0.000 0.000 0.000) 0.000 20.865 ( 0.000 0.000 0.000) 0.000 21.038 ( 0.000 0.000 0.000) 0.000 21.308 ( 0.000 0.000 0.000) 0.000 21.476 ( 0.000 0.000 0.000) 0.000 21.614 ( 0.000 0.000 0.000) 0.000 21.677 ( 0.000 0.000 0.000) 0.000 21.774 ( 0.000 0.000 0.000) 0.000 21.997 ( 0.000 0.000 0.000) 0.000 22.006 ( 0.000 0.000 0.000) 0.000 22.075 ( 0.000 0.000 0.000) 0.000 22.288 ( 0.000 0.000 0.000) 0.000 22.323 ( 0.000 0.000 0.000) 0.000 22.330 ( 0.000 0.000 0.000) 0.000 22.370 ( 0.000 0.000 0.000) 0.000 22.470 ( 0.000 0.000 0.000) 0.000 22.518 ( 0.000 0.000 0.000) 0.000 22.533 ( 0.000 0.000 0.000) 0.000 22.852 ( 0.000 0.000 0.000) 0.000 22.912 ( 0.000 0.000 0.000) 0.000 22.992 ( 0.000 0.000 0.000) 0.000 23.029 ( 0.000 0.000 0.000) 0.000 23.065 ( 0.000 0.000 0.000) 0.000 23.198 ( 0.000 0.000 0.000) 0.000 23.850 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 33.907 0.000 9.653) 35.254 0.735 ( 32.274 0.000 17.540) 36.732 1.166 ( 46.833 0.000 34.735) 58.308 2.250 ( -9.267 0.000 25.233) 26.881 2.343 ( 8.167 0.000 -30.485) 31.560 2.346 ( 8.239 0.000 -31.136) 32.208 2.956 ( 6.195 0.000 27.639) 28.325 3.323 ( -23.407 0.000 12.776) 26.667 3.545 ( -4.696 0.000 2.461) 5.302 3.552 ( 3.751 0.000 -35.432) 35.630 3.789 ( -22.092 0.000 -0.240) 22.093 3.803 ( 7.826 0.000 -6.774) 10.351 3.896 ( -6.002 0.000 3.125) 6.767 3.955 ( -2.865 0.000 -6.984) 7.549 3.967 ( -1.490 0.000 -4.496) 4.736 4.218 ( -8.409 0.000 -3.532) 9.120 4.289 ( -13.179 0.000 -4.850) 14.042 4.418 ( -0.373 0.000 -5.294) 5.307 4.537 ( 7.310 0.000 21.464) 22.675 4.787 ( 3.193 0.000 8.185) 8.786 4.961 ( 14.480 0.000 1.270) 14.535 5.000 ( -1.910 0.000 0.707) 2.037 5.295 ( 1.758 0.000 -10.359) 10.507 5.308 ( 4.828 0.000 11.308) 12.296 5.521 ( -8.006 0.000 -6.787) 10.496 5.632 ( -5.275 0.000 15.255) 16.142 5.642 ( 3.497 0.000 0.179) 3.502 5.771 ( -1.777 0.000 -0.118) 1.781 5.875 ( -15.992 0.000 -8.213) 17.978 5.940 ( -3.638 0.000 -1.697) 4.014 6.074 ( -2.907 0.000 2.275) 3.691 6.392 ( -8.582 0.000 1.670) 8.743 6.442 ( 3.169 0.000 -1.537) 3.522 6.720 ( -2.530 0.000 1.644) 3.017 6.732 ( -9.344 0.000 -2.674) 9.719 6.828 ( -4.284 0.000 -9.994) 10.874 6.929 ( -10.935 0.000 -4.795) 11.940 6.975 ( 11.478 0.000 8.658) 14.378 7.161 ( -9.257 0.000 0.709) 9.284 7.407 ( -8.731 0.000 -8.598) 12.253 7.521 ( -12.173 0.000 1.821) 12.308 7.601 ( 0.887 0.000 -4.612) 4.697 7.709 ( -2.022 0.000 6.234) 6.553 7.730 ( -8.089 0.000 2.608) 8.499 7.793 ( 8.587 0.000 13.543) 16.036 7.894 ( 7.165 0.000 -1.403) 7.301 8.047 ( 17.478 0.000 -2.807) 17.702 8.186 ( 4.674 0.000 1.615) 4.945 8.240 ( -6.363 0.000 -6.725) 9.258 8.397 ( -2.354 0.000 3.706) 4.390 8.429 ( 1.745 0.000 -1.200) 2.118 8.490 ( -0.563 0.000 2.426) 2.490 8.529 ( 5.497 0.000 4.010) 6.804 8.563 ( -9.495 0.000 4.304) 10.425 8.706 ( 11.727 0.000 2.036) 11.902 8.773 ( -2.403 0.000 5.576) 6.072 8.899 ( -1.697 0.000 6.051) 6.285 8.959 ( 5.524 0.000 -2.028) 5.884 9.029 ( -3.837 0.000 -2.835) 4.771 9.135 ( 2.689 0.000 -9.400) 9.777 9.286 ( -0.170 0.000 -5.704) 5.706 9.380 ( -1.495 0.000 -7.486) 7.633 9.430 ( 1.164 0.000 5.980) 6.092 9.540 ( -4.417 0.000 -0.065) 4.418 9.634 ( 1.155 0.000 -1.142) 1.625 9.643 ( -3.205 0.000 0.867) 3.321 9.758 ( -5.356 0.000 0.120) 5.357 9.956 ( -7.385 0.000 -4.237) 8.514 10.040 ( -0.090 0.000 3.846) 3.847 10.073 ( -5.313 0.000 6.994) 8.783 10.214 ( -4.099 0.000 -3.206) 5.204 10.289 ( 2.261 0.000 -6.344) 6.735 10.430 ( 0.631 0.000 -2.480) 2.559 10.477 ( 0.215 0.000 -3.007) 3.015 10.562 ( -6.024 0.000 -0.962) 6.101 10.666 ( -1.086 0.000 1.113) 1.555 10.683 ( -2.961 0.000 0.257) 2.972 10.722 ( -3.418 0.000 -1.646) 3.794 10.743 ( -8.488 0.000 4.384) 9.554 10.848 ( 0.500 0.000 7.608) 7.624 10.939 ( -1.861 0.000 2.969) 3.504 11.038 ( -7.003 0.000 4.459) 8.302 11.090 ( 8.923 0.000 3.394) 9.547 11.271 ( 6.792 0.000 -7.850) 10.380 11.414 ( 14.498 0.000 -11.121) 18.272 11.512 ( 1.139 0.000 -7.880) 7.962 11.559 ( -5.164 0.000 1.823) 5.477 11.617 ( -3.083 0.000 4.506) 5.459 11.702 ( 14.718 0.000 5.316) 15.649 11.952 ( 0.160 0.000 4.837) 4.840 12.003 ( 6.868 0.000 -4.046) 7.971 12.276 ( 10.876 0.000 2.878) 11.250 12.323 ( 9.611 0.000 -17.437) 19.910 12.424 ( 2.300 0.000 0.910) 2.473 12.439 ( 4.574 0.000 -2.902) 5.417 12.580 ( 1.443 0.000 0.361) 1.487 12.697 ( -2.281 0.000 0.731) 2.396 12.719 ( 2.283 0.000 4.431) 4.985 12.740 ( 3.534 0.000 -6.214) 7.148 12.795 ( 5.314 0.000 4.109) 6.717 12.907 ( 4.364 0.000 3.114) 5.361 12.997 ( 6.224 0.000 3.126) 6.965 13.116 ( 1.943 0.000 0.070) 1.945 13.332 ( -3.203 0.000 -2.863) 4.296 13.368 ( 5.056 0.000 1.669) 5.324 13.595 ( 1.209 0.000 -0.604) 1.351 13.734 ( 0.855 0.000 1.101) 1.394 13.980 ( 0.606 0.000 -3.709) 3.758 14.045 ( -5.207 0.000 -0.991) 5.301 14.181 ( -5.234 0.000 -18.757) 19.474 14.326 ( -3.490 0.000 3.257) 4.774 14.352 ( 1.652 0.000 0.668) 1.782 14.517 ( 6.325 0.000 -17.413) 18.526 14.625 ( 7.227 0.000 5.329) 8.979 14.677 ( 4.676 0.000 0.328) 4.688 14.719 ( 4.777 0.000 -0.611) 4.815 14.758 ( 6.609 0.000 12.177) 13.855 15.189 ( 1.308 0.000 -2.504) 2.825 15.254 ( -0.896 0.000 1.342) 1.614 15.280 ( 0.646 0.000 1.177) 1.342 15.319 ( 2.122 0.000 0.184) 2.130 15.618 ( 1.215 0.000 -0.131) 1.222 15.618 ( 2.578 0.000 -1.131) 2.815 15.658 ( -1.740 0.000 -1.659) 2.404 15.710 ( 1.395 0.000 1.445) 2.009 15.732 ( -3.116 0.000 -1.027) 3.280 15.797 ( 5.829 0.000 -8.081) 9.964 15.857 ( 0.938 0.000 -0.207) 0.961 16.109 ( 1.595 0.000 -1.803) 2.407 16.112 ( -4.439 0.000 0.193) 4.443 16.187 ( -0.246 0.000 -0.941) 0.973 16.269 ( 1.661 0.000 -3.600) 3.965 16.382 ( -2.285 0.000 -4.829) 5.343 16.499 ( -1.557 0.000 3.336) 3.681 16.724 ( 7.432 0.000 -9.516) 12.074 16.740 ( 2.721 0.000 6.676) 7.209 16.912 ( -6.722 0.000 4.229) 7.942 16.978 ( -3.877 0.000 1.568) 4.182 17.064 ( 4.194 0.000 -0.056) 4.195 17.208 ( 6.316 0.000 1.698) 6.541 17.236 ( -6.192 0.000 6.942) 9.303 17.270 ( 1.740 0.000 0.427) 1.792 17.425 ( 0.401 0.000 -3.804) 3.825 17.450 ( 1.324 0.000 0.672) 1.484 17.539 ( 4.418 0.000 -1.459) 4.653 17.540 ( 2.243 0.000 -6.467) 6.845 17.878 ( -7.565 0.000 -0.250) 7.569 18.004 ( -7.773 0.000 11.381) 13.782 18.354 ( -0.119 0.000 -0.427) 0.443 18.358 ( 0.552 0.000 0.543) 0.775 18.739 ( -4.237 0.000 6.651) 7.886 18.745 ( -0.743 0.000 -1.273) 1.473 19.467 ( -0.148 0.000 0.423) 0.449 19.510 ( 0.335 0.000 0.890) 0.951 20.185 ( 17.834 0.000 -35.819) 40.013 20.482 ( 7.701 0.000 1.610) 7.867 21.030 ( -1.618 0.000 1.929) 2.517 21.327 ( 1.829 0.000 0.574) 1.917 21.507 ( 1.698 0.000 2.661) 3.156 21.590 ( -0.535 0.000 -3.080) 3.126 21.710 ( 2.672 0.000 1.601) 3.116 21.762 ( -5.753 0.000 13.882) 15.027 21.883 ( -9.611 0.000 13.209) 16.335 22.003 ( -2.268 0.000 2.922) 3.699 22.023 ( 1.151 0.000 3.253) 3.451 22.051 ( -2.599 0.000 -0.402) 2.630 22.189 ( -5.771 0.000 -4.595) 7.377 22.289 ( 0.755 0.000 -1.445) 1.630 22.341 ( 0.410 0.000 1.916) 1.959 22.413 ( -5.707 0.000 -0.837) 5.768 22.489 ( 4.041 0.000 3.300) 5.217 22.540 ( 0.714 0.000 -0.992) 1.223 22.709 ( 0.518 0.000 -1.617) 1.698 22.899 ( -0.689 0.000 -1.204) 1.387 22.962 ( -0.135 0.000 0.481) 0.500 23.003 ( -4.266 0.000 -3.258) 5.367 23.030 ( 3.241 0.000 2.688) 4.211 23.218 ( -1.577 0.000 5.926) 6.133 23.740 ( -5.695 0.000 -10.362) 11.824 24.310 ( -12.060 0.000 10.496) 15.988 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 32.755 0.000 14.082) 35.654 1.459 ( 31.449 0.000 16.908) 35.706 2.110 ( 3.403 0.000 -30.379) 30.569 2.262 ( 41.525 0.000 26.432) 49.223 2.304 ( 18.339 0.000 -24.543) 30.638 2.438 ( 8.368 0.000 15.352) 17.485 2.967 ( -30.901 0.000 15.319) 34.490 3.212 ( -16.459 0.000 14.988) 22.261 3.336 ( -17.319 0.000 -13.717) 22.093 3.408 ( -3.914 0.000 12.873) 13.454 3.430 ( 0.895 0.000 -19.619) 19.640 3.634 ( -1.961 0.000 -18.278) 18.383 3.770 ( -11.730 0.000 2.166) 11.928 3.882 ( -6.593 0.000 4.230) 7.833 3.971 ( 0.712 0.000 3.359) 3.434 4.077 ( 3.122 0.000 -12.967) 13.338 4.243 ( 10.458 0.000 -1.930) 10.634 4.320 ( -1.847 0.000 -7.547) 7.769 4.757 ( 0.846 0.000 7.480) 7.528 4.793 ( -7.912 0.000 -0.126) 7.913 4.960 ( -17.393 0.000 3.321) 17.707 5.119 ( -8.596 0.000 -6.243) 10.624 5.174 ( 3.676 0.000 -7.690) 8.524 5.249 ( 4.147 0.000 3.871) 5.673 5.462 ( -5.714 0.000 10.833) 12.248 5.655 ( -4.259 0.000 11.589) 12.347 5.693 ( 1.368 0.000 -1.238) 1.845 5.776 ( 0.517 0.000 4.186) 4.217 5.787 ( 8.392 0.000 -1.444) 8.515 5.889 ( -10.227 0.000 -2.309) 10.484 5.958 ( 3.978 0.000 0.821) 4.062 6.193 ( -19.972 0.000 -5.383) 20.685 6.455 ( 7.731 0.000 7.427) 10.720 6.571 ( -7.732 0.000 -19.018) 20.530 6.628 ( -5.908 0.000 0.962) 5.986 6.688 ( -3.070 0.000 4.962) 5.835 6.755 ( -3.597 0.000 -5.539) 6.604 6.875 ( -10.018 0.000 0.367) 10.025 7.184 ( -6.355 0.000 -6.989) 9.446 7.315 ( -5.915 0.000 -2.298) 6.346 7.404 ( 5.092 0.000 8.583) 9.980 7.513 ( -3.749 0.000 -4.297) 5.703 7.656 ( -2.418 0.000 3.388) 4.162 7.737 ( -4.925 0.000 12.261) 13.213 7.959 ( 0.010 0.000 4.224) 4.224 7.983 ( 2.558 0.000 1.930) 3.205 8.098 ( -2.307 0.000 -5.771) 6.215 8.200 ( -0.508 0.000 -0.244) 0.564 8.269 ( 9.328 0.000 -2.483) 9.653 8.423 ( 1.886 0.000 -2.695) 3.289 8.428 ( 0.979 0.000 0.184) 0.996 8.525 ( 2.664 0.000 -0.128) 2.667 8.551 ( 2.260 0.000 0.579) 2.333 8.657 ( 1.804 0.000 3.087) 3.576 8.756 ( -0.911 0.000 9.258) 9.303 8.798 ( -12.161 0.000 -1.092) 12.210 8.912 ( 10.963 0.000 -4.055) 11.689 9.013 ( -2.898 0.000 -6.918) 7.501 9.103 ( 3.810 0.000 11.361) 11.983 9.144 ( 9.425 0.000 -12.481) 15.639 9.180 ( -7.685 0.000 -3.820) 8.582 9.214 ( -5.832 0.000 2.692) 6.423 9.318 ( -7.891 0.000 -0.224) 7.894 9.485 ( 2.480 0.000 -4.335) 4.994 9.585 ( -4.689 0.000 -0.416) 4.707 9.613 ( 1.172 0.000 1.294) 1.746 9.833 ( -4.057 0.000 -3.500) 5.358 9.862 ( 11.422 0.000 3.891) 12.067 10.010 ( -7.029 0.000 -2.332) 7.406 10.075 ( -0.084 0.000 2.313) 2.314 10.179 ( -0.885 0.000 4.716) 4.798 10.243 ( -1.062 0.000 0.381) 1.128 10.326 ( -8.222 0.000 -2.436) 8.575 10.493 ( 2.642 0.000 5.300) 5.923 10.511 ( -0.442 0.000 -2.163) 2.207 10.564 ( -8.764 0.000 2.654) 9.157 10.619 ( -7.108 0.000 1.867) 7.349 10.634 ( -7.780 0.000 2.541) 8.185 10.664 ( -1.100 0.000 -3.185) 3.369 10.907 ( -0.089 0.000 7.254) 7.255 10.954 ( -0.023 0.000 2.030) 2.030 11.005 ( 0.317 0.000 -0.199) 0.374 11.205 ( 2.961 0.000 -0.391) 2.986 11.261 ( 1.127 0.000 -9.673) 9.738 11.529 ( 6.518 0.000 -0.757) 6.561 11.537 ( 1.349 0.000 0.257) 1.373 11.621 ( 2.159 0.000 -0.199) 2.168 11.630 ( 8.255 0.000 1.173) 8.338 12.018 ( 12.611 0.000 -0.009) 12.611 12.057 ( 7.879 0.000 5.938) 9.866 12.118 ( 8.328 0.000 2.305) 8.641 12.302 ( 1.182 0.000 -1.669) 2.045 12.378 ( 0.659 0.000 4.594) 4.641 12.456 ( 1.290 0.000 -5.220) 5.377 12.560 ( 7.919 0.000 -4.842) 9.282 12.621 ( -0.737 0.000 5.238) 5.290 12.631 ( -2.591 0.000 -2.307) 3.469 12.713 ( -0.588 0.000 0.332) 0.675 12.780 ( 4.454 0.000 -3.286) 5.535 13.017 ( 7.247 0.000 0.247) 7.252 13.042 ( 2.729 0.000 -7.497) 7.978 13.056 ( 9.632 0.000 6.202) 11.456 13.207 ( -5.109 0.000 -7.983) 9.478 13.236 ( 5.607 0.000 4.253) 7.038 13.502 ( 7.460 0.000 2.324) 7.814 13.615 ( 1.200 0.000 0.022) 1.200 13.785 ( 3.157 0.000 3.571) 4.766 13.868 ( -7.016 0.000 -14.283) 15.913 13.949 ( -6.492 0.000 -5.147) 8.284 13.967 ( -1.208 0.000 1.898) 2.249 14.305 ( -2.693 0.000 3.338) 4.289 14.354 ( -0.790 0.000 -2.471) 2.594 14.470 ( 0.397 0.000 -5.806) 5.819 14.782 ( 5.574 0.000 0.236) 5.579 14.814 ( 5.371 0.000 10.530) 11.821 14.821 ( 6.691 0.000 -1.036) 6.770 14.976 ( 6.812 0.000 8.068) 10.559 15.172 ( 0.204 0.000 -2.499) 2.508 15.252 ( -0.394 0.000 1.718) 1.762 15.318 ( 1.974 0.000 0.854) 2.151 15.392 ( 4.337 0.000 2.952) 5.247 15.606 ( -1.061 0.000 -2.290) 2.523 15.638 ( -0.237 0.000 2.942) 2.952 15.679 ( -1.142 0.000 -1.451) 1.847 15.695 ( 3.868 0.000 3.914) 5.503 15.720 ( -2.350 0.000 1.759) 2.936 15.803 ( 0.918 0.000 -3.054) 3.189 15.928 ( 5.776 0.000 -0.341) 5.786 16.027 ( -4.789 0.000 1.192) 4.935 16.091 ( -1.086 0.000 -3.995) 4.140 16.183 ( 1.116 0.000 -1.305) 1.717 16.275 ( 2.289 0.000 -1.777) 2.898 16.322 ( 0.123 0.000 -3.157) 3.160 16.520 ( 0.031 0.000 3.834) 3.834 16.724 ( 2.984 0.000 -11.533) 11.913 16.822 ( -0.708 0.000 2.965) 3.049 16.840 ( -4.109 0.000 1.616) 4.415 16.891 ( -5.625 0.000 1.576) 5.841 17.154 ( 5.826 0.000 -0.568) 5.854 17.188 ( -6.176 0.000 7.815) 9.961 17.312 ( 1.827 0.000 1.778) 2.549 17.363 ( 7.147 0.000 1.336) 7.270 17.396 ( -0.908 0.000 -1.764) 1.984 17.455 ( -2.162 0.000 -4.768) 5.235 17.525 ( 4.191 0.000 -3.574) 5.508 17.607 ( 4.088 0.000 -0.756) 4.158 17.726 ( -6.917 0.000 -0.605) 6.944 17.960 ( -4.400 0.000 3.225) 5.455 18.347 ( -0.100 0.000 -0.502) 0.512 18.375 ( 0.635 0.000 0.601) 0.874 18.720 ( -0.592 0.000 -1.223) 1.359 18.721 ( -2.357 0.000 2.359) 3.335 19.459 ( -0.940 0.000 -0.074) 0.943 19.531 ( 0.726 0.000 1.489) 1.656 20.168 ( 6.536 0.000 -14.981) 16.345 20.687 ( 11.756 0.000 2.158) 11.952 21.039 ( -0.909 0.000 7.276) 7.332 21.377 ( 2.546 0.000 1.313) 2.864 21.554 ( -0.021 0.000 -3.540) 3.540 21.561 ( 0.501 0.000 2.650) 2.697 21.784 ( -2.433 0.000 6.704) 7.132 21.787 ( 3.672 0.000 0.892) 3.779 21.830 ( -4.269 0.000 3.034) 5.237 21.964 ( -5.284 0.000 -2.605) 5.891 21.968 ( -2.707 0.000 -0.337) 2.728 22.069 ( -4.995 0.000 -0.808) 5.060 22.089 ( 0.900 0.000 5.598) 5.669 22.257 ( -7.295 0.000 -1.168) 7.388 22.299 ( 0.365 0.000 -2.178) 2.209 22.375 ( 1.126 0.000 2.515) 2.756 22.523 ( -0.756 0.000 -3.492) 3.573 22.537 ( 0.365 0.000 -0.949) 1.017 22.711 ( 0.014 0.000 0.764) 0.764 22.876 ( -0.563 0.000 -0.853) 1.022 22.902 ( -3.896 0.000 -1.030) 4.030 22.964 ( 0.033 0.000 0.186) 0.189 23.161 ( 7.269 0.000 4.900) 8.766 23.211 ( -5.017 0.000 3.111) 5.903 23.550 ( -1.065 0.000 -12.105) 12.151 24.149 ( -11.570 0.000 1.419) 11.657 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 19.075 0.000 -19.899) 27.565 2.085 ( 29.088 0.000 17.961) 34.186 2.128 ( 24.817 0.000 13.423) 28.215 2.432 ( 17.784 0.000 -17.486) 24.940 2.501 ( -26.648 0.000 12.921) 29.615 2.764 ( 3.043 0.000 1.561) 3.420 2.801 ( -21.352 0.000 -18.797) 28.447 2.866 ( -23.857 0.000 10.577) 26.097 3.057 ( -14.457 0.000 -5.927) 15.625 3.112 ( 21.615 0.000 15.992) 26.888 3.554 ( -0.704 0.000 1.669) 1.811 3.604 ( 4.125 0.000 -9.310) 10.183 3.691 ( 2.671 0.000 6.426) 6.959 3.882 ( 0.547 0.000 6.106) 6.131 3.966 ( -1.695 0.000 3.370) 3.772 4.094 ( 5.142 0.000 -6.397) 8.207 4.234 ( -0.993 0.000 -6.471) 6.547 4.325 ( -1.597 0.000 -6.715) 6.902 4.473 ( -13.770 0.000 -5.693) 14.900 4.586 ( -8.165 0.000 -4.518) 9.332 4.885 ( 0.376 0.000 2.453) 2.482 5.033 ( -6.297 0.000 4.609) 7.804 5.181 ( 3.615 0.000 8.779) 9.494 5.316 ( 4.099 0.000 -5.577) 6.921 5.427 ( -2.886 0.000 4.923) 5.707 5.560 ( -16.857 0.000 -2.061) 16.982 5.725 ( -1.555 0.000 -0.681) 1.698 5.800 ( 8.616 0.000 -2.385) 8.940 5.834 ( -2.450 0.000 -0.537) 2.508 5.922 ( 0.477 0.000 -0.375) 0.607 5.984 ( 6.441 0.000 11.679) 13.338 6.058 ( 2.387 0.000 2.277) 3.299 6.262 ( -7.128 0.000 -16.326) 17.814 6.532 ( -2.044 0.000 -3.647) 4.181 6.581 ( -4.130 0.000 1.025) 4.255 6.718 ( -1.549 0.000 4.778) 5.022 6.722 ( 5.006 0.000 4.450) 6.698 6.779 ( -1.953 0.000 3.298) 3.833 7.044 ( -2.620 0.000 -5.936) 6.488 7.191 ( -2.927 0.000 -1.743) 3.406 7.394 ( -7.502 0.000 1.567) 7.664 7.431 ( -2.597 0.000 -0.941) 2.762 7.697 ( 1.927 0.000 3.398) 3.907 7.800 ( 0.825 0.000 6.997) 7.045 7.957 ( 0.544 0.000 -0.832) 0.994 8.041 ( -0.409 0.000 0.409) 0.579 8.110 ( 6.553 0.000 4.028) 7.691 8.201 ( 0.754 0.000 -2.023) 2.159 8.384 ( -3.709 0.000 -5.191) 6.380 8.387 ( 3.943 0.000 -0.074) 3.943 8.424 ( 1.478 0.000 -2.851) 3.212 8.507 ( -5.472 0.000 -1.722) 5.737 8.524 ( -8.871 0.000 -4.436) 9.918 8.605 ( -0.129 0.000 2.467) 2.471 8.627 ( -2.794 0.000 -0.005) 2.794 8.772 ( -0.876 0.000 -5.460) 5.530 8.930 ( 5.605 0.000 5.888) 8.129 9.008 ( 4.230 0.000 -4.099) 5.891 9.081 ( -4.127 0.000 -4.757) 6.298 9.129 ( -3.206 0.000 1.427) 3.509 9.174 ( -0.355 0.000 2.473) 2.498 9.263 ( 3.519 0.000 0.158) 3.523 9.340 ( 1.917 0.000 5.058) 5.409 9.537 ( 4.069 0.000 -1.142) 4.226 9.567 ( 1.749 0.000 1.112) 2.073 9.711 ( -4.313 0.000 -3.228) 5.387 9.714 ( 5.797 0.000 2.148) 6.183 9.846 ( -4.458 0.000 -2.353) 5.041 10.082 ( 0.266 0.000 0.193) 0.328 10.093 ( 10.164 0.000 -3.504) 10.751 10.167 ( -6.721 0.000 -0.040) 6.721 10.183 ( -5.330 0.000 7.508) 9.207 10.239 ( -0.444 0.000 0.018) 0.445 10.452 ( -5.207 0.000 1.754) 5.494 10.486 ( -1.837 0.000 -3.300) 3.776 10.515 ( -3.043 0.000 3.765) 4.841 10.546 ( -0.779 0.000 -1.211) 1.440 10.591 ( -2.450 0.000 -2.866) 3.770 10.654 ( 2.473 0.000 9.163) 9.490 10.965 ( 0.045 0.000 0.586) 0.588 10.973 ( 1.367 0.000 2.315) 2.688 11.003 ( 0.393 0.000 -1.606) 1.653 11.178 ( -0.852 0.000 -6.005) 6.065 11.242 ( 1.127 0.000 0.510) 1.237 11.559 ( 0.213 0.000 1.009) 1.031 11.595 ( -1.414 0.000 4.978) 5.175 11.707 ( 1.582 0.000 -0.586) 1.687 11.755 ( 13.172 0.000 -2.233) 13.360 12.018 ( -7.422 0.000 -3.334) 8.136 12.207 ( 2.830 0.000 -1.419) 3.166 12.348 ( 1.227 0.000 2.773) 3.032 12.359 ( 12.040 0.000 4.174) 12.743 12.463 ( 2.113 0.000 -0.129) 2.117 12.471 ( 2.254 0.000 5.858) 6.276 12.561 ( -8.786 0.000 2.332) 9.090 12.592 ( 2.554 0.000 3.931) 4.688 12.627 ( 4.543 0.000 -4.827) 6.628 12.769 ( -2.580 0.000 -6.416) 6.915 12.786 ( 4.942 0.000 2.856) 5.708 12.940 ( -6.060 0.000 -10.267) 11.922 13.014 ( 0.230 0.000 -2.276) 2.288 13.100 ( -0.333 0.000 -3.607) 3.622 13.314 ( 12.193 0.000 4.471) 12.987 13.326 ( 1.883 0.000 1.177) 2.221 13.554 ( -9.375 0.000 -3.261) 9.926 13.621 ( 3.118 0.000 0.743) 3.206 13.725 ( 3.321 0.000 -4.795) 5.833 13.810 ( -5.849 0.000 -0.285) 5.856 13.903 ( 5.429 0.000 1.860) 5.738 13.962 ( -2.088 0.000 2.400) 3.181 14.290 ( -1.056 0.000 1.029) 1.474 14.313 ( 0.247 0.000 -3.239) 3.249 14.418 ( -2.534 0.000 -0.635) 2.613 14.841 ( 1.687 0.000 -0.787) 1.861 14.894 ( 2.080 0.000 -0.894) 2.263 14.989 ( 4.296 0.000 7.380) 8.539 15.089 ( -0.029 0.000 0.511) 0.512 15.166 ( 0.864 0.000 -1.702) 1.909 15.264 ( 0.152 0.000 0.591) 0.610 15.373 ( 2.785 0.000 1.939) 3.394 15.525 ( 4.795 0.000 4.916) 6.867 15.592 ( 0.832 0.000 -1.066) 1.352 15.624 ( -4.204 0.000 1.509) 4.467 15.642 ( -1.672 0.000 -0.389) 1.717 15.703 ( 0.134 0.000 0.783) 0.794 15.790 ( 0.077 0.000 -1.191) 1.194 15.828 ( 4.772 0.000 6.653) 8.187 15.954 ( -0.398 0.000 -1.482) 1.534 15.997 ( -4.211 0.000 -5.507) 6.933 16.018 ( 0.921 0.000 0.983) 1.348 16.194 ( 0.637 0.000 -0.464) 0.788 16.324 ( 2.618 0.000 0.774) 2.730 16.346 ( 4.089 0.000 -0.530) 4.123 16.558 ( -0.867 0.000 6.068) 6.130 16.647 ( 0.474 0.000 -9.936) 9.947 16.679 ( -7.463 0.000 -4.481) 8.705 16.800 ( -1.152 0.000 0.125) 1.159 16.927 ( 0.825 0.000 5.356) 5.419 17.143 ( -2.992 0.000 2.986) 4.227 17.253 ( -4.044 0.000 -6.849) 7.954 17.265 ( 5.522 0.000 -0.608) 5.555 17.355 ( -2.838 0.000 0.127) 2.840 17.381 ( 1.402 0.000 0.661) 1.550 17.512 ( 1.817 0.000 3.180) 3.663 17.565 ( 2.620 0.000 -1.610) 3.075 17.657 ( -1.141 0.000 -0.531) 1.258 17.658 ( 1.827 0.000 -0.148) 1.833 17.919 ( -1.839 0.000 0.709) 1.971 18.342 ( -0.035 0.000 -0.219) 0.222 18.387 ( 0.262 0.000 0.246) 0.359 18.704 ( -0.887 0.000 0.603) 1.072 18.706 ( -0.164 0.000 -0.419) 0.450 19.441 ( -0.597 0.000 -0.197) 0.629 19.555 ( 0.467 0.000 0.849) 0.969 20.149 ( 1.704 0.000 -4.738) 5.035 20.845 ( 4.161 0.000 -0.978) 4.274 21.190 ( 7.034 0.000 13.471) 15.197 21.431 ( 1.478 0.000 1.650) 2.215 21.491 ( -8.058 0.000 -6.903) 10.611 21.523 ( -0.197 0.000 -2.566) 2.574 21.765 ( -1.936 0.000 -2.197) 2.929 21.796 ( 0.891 0.000 -2.506) 2.660 21.799 ( -2.291 0.000 4.446) 5.002 21.934 ( -1.149 0.000 1.893) 2.214 21.961 ( 5.559 0.000 1.309) 5.711 21.987 ( -2.944 0.000 -1.448) 3.281 22.079 ( -5.956 0.000 0.218) 5.960 22.187 ( -0.485 0.000 2.490) 2.537 22.328 ( 2.732 0.000 2.048) 3.415 22.420 ( 1.202 0.000 1.859) 2.214 22.442 ( -2.914 0.000 -6.099) 6.759 22.512 ( -0.926 0.000 -1.636) 1.880 22.716 ( -0.064 0.000 0.377) 0.383 22.850 ( -0.845 0.000 -0.965) 1.282 22.870 ( -0.479 0.000 0.974) 1.086 22.966 ( 0.012 0.000 0.073) 0.074 23.129 ( -3.041 0.000 -0.776) 3.138 23.333 ( 5.696 0.000 3.165) 6.516 23.500 ( 1.420 0.000 -3.249) 3.546 23.968 ( -6.980 0.000 -0.991) 7.050 ======================= Grid point 7 (5/75) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 35.700 0.000) 35.700 0.803 ( 0.000 37.502 0.000) 37.502 1.236 ( 0.000 56.383 0.000) 56.383 2.276 ( 0.000 1.312 0.000) 1.312 2.303 ( 0.000 -1.889 0.000) 1.889 2.646 ( 0.000 10.213 0.000) 10.213 2.669 ( 0.000 2.475 0.000) 2.475 3.498 ( 0.000 1.254 0.000) 1.254 3.609 ( 0.000 -0.604 0.000) 0.604 3.699 ( 0.000 6.139 0.000) 6.139 3.855 ( 0.000 -4.082 0.000) 4.082 3.981 ( 0.000 -5.259 0.000) 5.259 4.041 ( 0.000 8.169 0.000) 8.169 4.086 ( 0.000 2.261 0.000) 2.261 4.138 ( 0.000 11.556 0.000) 11.556 4.278 ( 0.000 -1.350 0.000) 1.350 4.350 ( 0.000 8.069 0.000) 8.069 4.375 ( 0.000 -4.793 0.000) 4.793 4.609 ( 0.000 3.942 0.000) 3.942 4.640 ( 0.000 2.667 0.000) 2.667 4.743 ( 0.000 -0.855 0.000) 0.855 5.144 ( 0.000 3.993 0.000) 3.993 5.181 ( 0.000 3.819 0.000) 3.819 5.360 ( 0.000 2.709 0.000) 2.709 5.512 ( 0.000 -4.362 0.000) 4.362 5.548 ( 0.000 -5.208 0.000) 5.208 5.649 ( 0.000 -7.998 0.000) 7.998 5.710 ( 0.000 -0.678 0.000) 0.678 5.928 ( 0.000 -13.105 0.000) 13.105 6.022 ( 0.000 -7.195 0.000) 7.195 6.157 ( 0.000 3.681 0.000) 3.681 6.419 ( 0.000 -4.161 0.000) 4.161 6.633 ( 0.000 -2.591 0.000) 2.591 6.660 ( 0.000 0.764 0.000) 0.764 6.720 ( 0.000 1.327 0.000) 1.327 6.774 ( 0.000 -6.877 0.000) 6.877 6.936 ( 0.000 3.122 0.000) 3.122 7.079 ( 0.000 -1.019 0.000) 1.019 7.265 ( 0.000 -13.217 0.000) 13.217 7.408 ( 0.000 -7.096 0.000) 7.096 7.441 ( 0.000 -1.874 0.000) 1.874 7.536 ( 0.000 -4.125 0.000) 4.125 7.720 ( 0.000 -3.555 0.000) 3.555 7.750 ( 0.000 5.619 0.000) 5.619 7.805 ( 0.000 -0.990 0.000) 0.990 7.805 ( 0.000 6.591 0.000) 6.591 7.888 ( 0.000 -12.812 0.000) 12.812 7.990 ( 0.000 3.887 0.000) 3.887 8.211 ( 0.000 -7.664 0.000) 7.664 8.283 ( 0.000 -4.282 0.000) 4.282 8.353 ( 0.000 -10.054 0.000) 10.054 8.460 ( 0.000 -0.945 0.000) 0.945 8.480 ( 0.000 -0.548 0.000) 0.548 8.514 ( 0.000 1.628 0.000) 1.628 8.738 ( 0.000 -4.854 0.000) 4.854 8.945 ( 0.000 12.581 0.000) 12.581 8.945 ( 0.000 6.834 0.000) 6.834 9.123 ( 0.000 -3.557 0.000) 3.557 9.161 ( 0.000 -1.024 0.000) 1.024 9.264 ( 0.000 -2.499 0.000) 2.499 9.282 ( 0.000 3.358 0.000) 3.358 9.313 ( 0.000 13.495 0.000) 13.495 9.327 ( 0.000 -2.100 0.000) 2.100 9.549 ( 0.000 -6.151 0.000) 6.151 9.606 ( 0.000 1.781 0.000) 1.781 9.741 ( 0.000 -3.705 0.000) 3.705 9.804 ( 0.000 3.636 0.000) 3.636 10.104 ( 0.000 -0.068 0.000) 0.068 10.120 ( 0.000 6.764 0.000) 6.764 10.125 ( 0.000 -2.861 0.000) 2.861 10.167 ( 0.000 1.136 0.000) 1.136 10.280 ( 0.000 -3.896 0.000) 3.896 10.416 ( 0.000 -1.462 0.000) 1.462 10.490 ( 0.000 -3.855 0.000) 3.855 10.563 ( 0.000 1.332 0.000) 1.332 10.689 ( 0.000 -6.445 0.000) 6.445 10.726 ( 0.000 -3.709 0.000) 3.709 10.739 ( 0.000 1.731 0.000) 1.731 10.811 ( 0.000 0.496 0.000) 0.496 10.866 ( 0.000 -2.927 0.000) 2.927 10.931 ( 0.000 -2.227 0.000) 2.227 11.042 ( 0.000 1.385 0.000) 1.385 11.174 ( 0.000 6.599 0.000) 6.599 11.186 ( 0.000 -5.406 0.000) 5.406 11.403 ( 0.000 -7.444 0.000) 7.444 11.475 ( 0.000 -7.402 0.000) 7.402 11.503 ( 0.000 -2.200 0.000) 2.200 11.595 ( 0.000 -2.818 0.000) 2.818 11.744 ( 0.000 0.738 0.000) 0.738 11.747 ( 0.000 0.904 0.000) 0.904 11.852 ( 0.000 -10.095 0.000) 10.095 12.121 ( 0.000 -2.532 0.000) 2.532 12.184 ( 0.000 -6.444 0.000) 6.444 12.337 ( 0.000 -2.725 0.000) 2.725 12.441 ( 0.000 1.147 0.000) 1.147 12.552 ( 0.000 -2.907 0.000) 2.907 12.564 ( 0.000 -8.909 0.000) 8.909 12.761 ( 0.000 0.704 0.000) 0.704 12.822 ( 0.000 12.058 0.000) 12.058 12.919 ( 0.000 4.293 0.000) 4.293 12.949 ( 0.000 4.533 0.000) 4.533 13.004 ( 0.000 10.266 0.000) 10.266 13.138 ( 0.000 2.281 0.000) 2.281 13.335 ( 0.000 0.312 0.000) 0.312 13.469 ( 0.000 2.946 0.000) 2.946 13.644 ( 0.000 5.176 0.000) 5.176 13.955 ( 0.000 -0.491 0.000) 0.491 14.077 ( 0.000 -2.107 0.000) 2.107 14.098 ( 0.000 -1.892 0.000) 1.892 14.231 ( 0.000 -6.039 0.000) 6.039 14.321 ( 0.000 -0.526 0.000) 0.526 14.368 ( 0.000 -0.025 0.000) 0.025 14.479 ( 0.000 2.157 0.000) 2.157 14.497 ( 0.000 -4.534 0.000) 4.534 14.746 ( 0.000 11.332 0.000) 11.332 14.748 ( 0.000 5.423 0.000) 5.423 14.991 ( 0.000 -3.948 0.000) 3.948 15.044 ( 0.000 0.678 0.000) 0.678 15.270 ( 0.000 2.673 0.000) 2.673 15.277 ( 0.000 4.128 0.000) 4.128 15.338 ( 0.000 3.873 0.000) 3.873 15.418 ( 0.000 8.667 0.000) 8.667 15.569 ( 0.000 -3.428 0.000) 3.428 15.617 ( 0.000 0.181 0.000) 0.181 15.693 ( 0.000 -0.677 0.000) 0.677 15.738 ( 0.000 3.829 0.000) 3.829 15.862 ( 0.000 -2.545 0.000) 2.545 15.883 ( 0.000 0.527 0.000) 0.527 15.982 ( 0.000 0.936 0.000) 0.936 16.102 ( 0.000 1.025 0.000) 1.025 16.221 ( 0.000 4.588 0.000) 4.588 16.222 ( 0.000 2.591 0.000) 2.591 16.383 ( 0.000 0.031 0.000) 0.031 16.474 ( 0.000 3.204 0.000) 3.204 16.524 ( 0.000 1.741 0.000) 1.741 16.801 ( 0.000 -0.217 0.000) 0.217 16.802 ( 0.000 8.210 0.000) 8.210 16.986 ( 0.000 -0.907 0.000) 0.907 17.115 ( 0.000 -1.781 0.000) 1.781 17.120 ( 0.000 -3.451 0.000) 3.451 17.285 ( 0.000 2.022 0.000) 2.022 17.341 ( 0.000 0.360 0.000) 0.360 17.400 ( 0.000 -3.885 0.000) 3.885 17.431 ( 0.000 -3.611 0.000) 3.611 17.497 ( 0.000 2.232 0.000) 2.232 17.506 ( 0.000 -1.103 0.000) 1.103 17.604 ( 0.000 1.251 0.000) 1.251 17.908 ( 0.000 -3.745 0.000) 3.745 18.378 ( 0.000 1.475 0.000) 1.475 18.384 ( 0.000 2.675 0.000) 2.675 18.633 ( 0.000 -1.293 0.000) 1.293 18.832 ( 0.000 -1.688 0.000) 1.688 19.506 ( 0.000 0.268 0.000) 0.268 19.585 ( 0.000 -0.143 0.000) 0.143 19.897 ( 0.000 -3.082 0.000) 3.082 20.317 ( 0.000 -7.641 0.000) 7.641 20.879 ( 0.000 1.324 0.000) 1.324 21.036 ( 0.000 -0.416 0.000) 0.416 21.317 ( 0.000 0.814 0.000) 0.814 21.434 ( 0.000 -3.841 0.000) 3.841 21.606 ( 0.000 -0.533 0.000) 0.533 21.682 ( 0.000 -6.936 0.000) 6.936 21.962 ( 0.000 -3.900 0.000) 3.900 21.980 ( 0.000 -1.843 0.000) 1.843 22.076 ( 0.000 0.633 0.000) 0.633 22.146 ( 0.000 -1.177 0.000) 1.177 22.318 ( 0.000 -0.512 0.000) 0.512 22.369 ( 0.000 3.893 0.000) 3.893 22.400 ( 0.000 0.384 0.000) 0.384 22.492 ( 0.000 3.902 0.000) 3.902 22.546 ( 0.000 3.791 0.000) 3.791 22.599 ( 0.000 5.739 0.000) 5.739 22.828 ( 0.000 0.841 0.000) 0.841 22.872 ( 0.000 2.278 0.000) 2.278 22.942 ( 0.000 -0.190 0.000) 0.190 23.068 ( 0.000 7.983 0.000) 7.983 23.101 ( 0.000 8.828 0.000) 8.828 23.438 ( 0.000 16.358 0.000) 16.358 23.809 ( 0.000 -2.376 0.000) 2.376 24.909 ( 0.000 -4.131 0.000) 4.131 ======================= Grid point 8 (6/75) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 17.468 25.757 12.197) 33.427 1.043 ( 23.661 27.440 3.395) 36.392 1.709 ( 31.189 38.738 23.600) 55.048 2.275 ( 0.287 0.272 -2.356) 2.389 2.316 ( 4.179 2.118 -1.474) 4.911 2.465 ( 7.205 10.872 -30.987) 33.620 2.962 ( 5.442 1.664 27.021) 27.614 3.367 ( -19.553 4.130 11.179) 22.898 3.580 ( -8.852 1.836 -2.451) 9.366 3.594 ( -5.924 3.617 -7.590) 10.285 3.719 ( -12.689 -8.440 -2.457) 15.436 3.847 ( 1.345 5.251 -12.104) 13.262 3.990 ( -2.077 7.909 -8.200) 11.581 4.011 ( -1.141 4.753 -6.524) 8.152 4.066 ( -1.165 8.498 -2.102) 8.832 4.239 ( -3.492 1.175 -4.673) 5.951 4.287 ( -5.124 -0.773 -3.806) 6.430 4.402 ( -8.861 0.981 -5.302) 10.372 4.559 ( 5.570 1.619 15.983) 17.003 4.767 ( 1.700 -1.883 7.284) 7.713 4.925 ( 11.491 -1.356 3.880) 12.204 5.075 ( -0.897 4.366 -0.988) 4.566 5.264 ( -1.116 -0.847 3.799) 4.049 5.338 ( 1.261 -0.703 -3.119) 3.437 5.494 ( -6.597 -2.323 -3.380) 7.768 5.607 ( 6.238 -3.035 1.876) 7.186 5.656 ( -3.939 0.723 5.607) 6.890 5.690 ( -11.360 -10.015 1.700) 15.240 5.785 ( 3.588 -1.951 3.509) 5.385 6.058 ( -10.037 4.997 -7.194) 13.322 6.133 ( -0.216 1.808 2.081) 2.765 6.264 ( 1.098 -5.500 -1.335) 5.765 6.443 ( -8.203 -2.499 -8.826) 12.306 6.602 ( -2.626 -8.227 -2.291) 8.935 6.708 ( -1.598 -2.706 3.174) 4.467 6.796 ( -8.331 -0.798 -7.782) 11.429 6.876 ( -4.579 1.868 1.906) 5.299 7.102 ( -14.677 -2.207 -0.598) 14.854 7.186 ( 3.368 2.789 6.758) 8.049 7.325 ( -12.195 -6.047 -2.944) 13.927 7.434 ( 3.977 -6.626 1.433) 7.859 7.564 ( 2.549 -5.567 1.472) 6.297 7.641 ( -3.346 -1.812 -1.701) 4.168 7.695 ( -5.466 -3.826 2.338) 7.069 7.870 ( 3.458 6.012 8.286) 10.806 7.918 ( 11.488 -4.828 -9.117) 15.440 8.013 ( 1.539 -3.796 4.317) 5.951 8.018 ( 2.325 -6.891 0.918) 7.330 8.111 ( -1.912 -7.428 1.054) 7.742 8.271 ( -2.711 -2.688 -0.164) 3.821 8.380 ( 3.651 -0.964 1.188) 3.959 8.425 ( -3.445 -5.109 2.416) 6.619 8.565 ( 8.622 -0.293 2.015) 8.859 8.602 ( 3.471 -7.676 3.842) 9.259 8.742 ( -9.395 0.870 2.039) 9.653 8.844 ( -13.873 10.421 -0.526) 17.359 8.900 ( 6.185 -1.809 1.409) 6.597 9.074 ( 3.102 6.337 -2.848) 7.608 9.129 ( 1.489 -3.201 -7.552) 8.336 9.212 ( -3.195 10.634 -8.488) 13.976 9.270 ( -0.147 -1.575 -2.492) 2.952 9.285 ( 0.108 -0.561 -3.080) 3.133 9.436 ( 0.428 -1.552 2.563) 3.027 9.448 ( -4.091 0.023 2.791) 4.952 9.646 ( -2.073 -0.120 3.865) 4.387 9.764 ( -4.037 2.767 2.804) 5.641 9.827 ( -0.986 -0.223 0.267) 1.046 9.923 ( -4.307 -6.061 2.830) 7.956 9.975 ( -8.700 5.404 -0.876) 10.279 10.127 ( -10.735 -2.470 6.387) 12.733 10.260 ( 0.529 -0.232 -3.942) 3.984 10.274 ( 5.970 7.136 -3.072) 9.798 10.380 ( -1.301 -3.441 -5.664) 6.754 10.457 ( 1.442 -3.133 -3.927) 5.227 10.475 ( -6.049 -4.000 2.855) 7.794 10.628 ( -7.736 -0.375 -4.679) 9.048 10.708 ( -4.154 1.246 4.584) 6.310 10.738 ( -0.599 -3.025 -0.690) 3.160 10.838 ( -1.111 3.455 1.711) 4.012 10.917 ( -0.577 6.775 5.445) 8.711 10.953 ( 2.909 -9.506 1.725) 10.089 10.979 ( -0.936 2.923 1.638) 3.479 11.115 ( -2.565 4.343 4.113) 6.509 11.253 ( 3.198 -0.906 -4.633) 5.702 11.323 ( 8.535 -5.716 -5.931) 11.862 11.445 ( 2.615 -3.470 -3.620) 5.655 11.544 ( 4.946 0.084 -9.512) 10.721 11.637 ( 5.571 -2.049 6.196) 8.581 11.704 ( 6.006 -4.141 3.312) 8.012 11.902 ( 3.072 -3.995 4.692) 6.886 12.074 ( 0.528 1.492 1.088) 1.921 12.204 ( 16.521 -8.080 2.470) 18.556 12.269 ( 4.327 -4.432 -10.654) 12.324 12.353 ( 7.857 -5.228 -2.841) 9.855 12.394 ( -3.375 -1.594 1.034) 3.873 12.560 ( 4.224 -0.771 -3.063) 5.274 12.640 ( 7.053 -3.939 -0.592) 8.100 12.749 ( -1.107 4.495 1.203) 4.784 12.792 ( -0.839 6.021 1.497) 6.261 12.917 ( 0.234 4.454 -0.796) 4.530 12.995 ( 0.135 6.662 1.498) 6.830 13.059 ( 4.108 3.927 4.236) 7.088 13.143 ( 1.177 3.934 2.853) 5.000 13.330 ( -0.551 -1.248 -1.571) 2.080 13.463 ( 1.022 6.762 -0.949) 6.904 13.587 ( -1.382 0.608 -1.294) 1.988 13.841 ( -6.565 5.258 -0.629) 8.435 13.975 ( 0.889 0.126 -0.874) 1.253 14.077 ( -0.433 2.485 -9.106) 9.449 14.140 ( -4.594 -1.431 -9.247) 10.424 14.339 ( -0.707 -1.871 2.977) 3.587 14.378 ( -0.767 3.523 -0.927) 3.722 14.487 ( 3.613 -1.421 -3.080) 4.956 14.567 ( 1.610 -0.111 -3.336) 3.705 14.651 ( 9.676 -4.174 1.990) 10.725 14.810 ( 4.983 9.463 -1.946) 10.870 14.860 ( 1.957 5.736 4.826) 7.747 15.202 ( 3.049 -1.312 -0.856) 3.428 15.270 ( -2.107 2.791 1.277) 3.723 15.331 ( 0.248 2.280 -1.560) 2.774 15.343 ( 0.019 3.535 1.414) 3.807 15.574 ( 4.442 0.965 -1.610) 4.822 15.639 ( 1.253 0.775 1.634) 2.200 15.680 ( 0.342 -1.961 0.808) 2.148 15.742 ( 6.035 0.549 -0.200) 6.063 15.755 ( -1.289 -0.629 -4.954) 5.158 15.773 ( 3.066 3.613 1.529) 4.979 15.905 ( 0.670 3.231 -2.518) 4.151 16.054 ( -5.156 0.591 0.765) 5.246 16.136 ( 0.784 -3.194 4.775) 5.798 16.227 ( 1.281 0.815 1.568) 2.183 16.283 ( 6.727 1.054 -5.351) 8.660 16.372 ( -1.565 0.389 0.402) 1.662 16.527 ( 3.417 -0.222 1.917) 3.924 16.614 ( 4.529 -3.601 11.521) 12.892 16.741 ( -0.649 2.138 -7.241) 7.578 16.825 ( -0.969 1.706 4.572) 4.975 16.996 ( 0.017 -1.695 0.045) 1.695 17.088 ( -1.212 -0.204 -2.254) 2.567 17.189 ( 6.728 -2.319 -0.756) 7.156 17.229 ( -5.096 -0.031 4.096) 6.538 17.270 ( -3.430 1.371 2.403) 4.407 17.400 ( 0.763 -2.245 -3.238) 4.014 17.434 ( 0.778 -2.364 -0.437) 2.527 17.513 ( 1.894 -0.243 0.025) 1.910 17.529 ( 3.054 -0.735 -5.191) 6.067 17.775 ( 1.344 -8.909 9.340) 12.978 17.853 ( -4.224 -2.819 1.488) 5.292 18.374 ( -0.079 1.593 -0.223) 1.610 18.394 ( 0.583 2.701 0.450) 2.800 18.655 ( 0.673 -2.709 1.890) 3.371 18.783 ( -3.502 -0.538 -0.580) 3.590 19.503 ( -0.666 1.150 -0.399) 1.388 19.542 ( -1.198 2.454 1.374) 3.057 20.045 ( 15.179 -8.794 -16.128) 23.830 20.390 ( 7.287 -7.970 1.675) 10.928 21.028 ( -1.102 -0.272 2.406) 2.660 21.099 ( 6.938 -12.219 17.787) 22.667 21.348 ( 3.800 -0.476 0.200) 3.835 21.460 ( 2.016 -4.760 1.041) 5.273 21.580 ( -1.279 -1.162 -1.741) 2.453 21.675 ( -1.725 -7.058 0.353) 7.274 21.953 ( -0.398 -3.147 -0.876) 3.291 21.993 ( -0.354 -2.508 2.397) 3.487 22.064 ( -1.184 1.130 -0.382) 1.681 22.154 ( -0.210 -0.185 1.349) 1.378 22.185 ( -6.141 1.828 -3.765) 7.432 22.344 ( -0.513 2.351 -2.365) 3.374 22.429 ( -3.534 4.262 -2.137) 5.935 22.500 ( 0.466 2.703 1.228) 3.005 22.527 ( -3.451 6.047 2.725) 7.477 22.602 ( 0.551 5.919 1.351) 6.096 22.764 ( -2.487 3.659 -2.140) 4.915 22.850 ( 2.205 1.692 0.085) 2.781 23.014 ( 1.148 4.915 1.467) 5.256 23.049 ( -0.077 4.443 2.472) 5.084 23.158 ( 3.350 8.182 -1.945) 9.052 23.429 ( -2.875 14.778 5.007) 15.866 23.712 ( -6.938 -1.241 -5.997) 9.255 24.567 ( -22.673 8.860 -4.219) 24.706 ======================= Grid point 9 (7/75) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 25.281 10.433 15.547) 31.459 1.590 ( 29.658 16.778 9.102) 35.269 2.187 ( 5.673 7.210 -23.915) 25.614 2.360 ( 17.291 7.021 -22.676) 29.367 2.470 ( 13.411 8.450 11.577) 19.629 2.605 ( 29.728 20.663 20.716) 41.712 3.048 ( -28.966 7.412 14.299) 33.142 3.212 ( -15.690 3.262 8.475) 18.129 3.305 ( -9.155 -4.461 7.116) 12.424 3.373 ( -15.757 -4.214 -14.348) 21.724 3.428 ( -6.659 4.671 3.026) 8.679 3.816 ( 11.163 13.617 -20.001) 26.647 3.850 ( -6.122 6.958 1.727) 9.427 3.931 ( -9.183 4.849 4.894) 11.480 4.063 ( 0.352 5.683 0.032) 5.694 4.123 ( 0.341 3.869 -12.026) 12.637 4.234 ( 1.524 -4.743 -6.140) 7.907 4.325 ( 6.861 5.247 -1.923) 8.849 4.704 ( -1.525 -4.193 5.221) 6.867 4.774 ( -6.070 -1.540 3.201) 7.033 5.015 ( -19.549 -0.976 -4.744) 20.140 5.064 ( -3.340 1.548 1.668) 4.042 5.139 ( 7.593 -2.592 -2.730) 8.475 5.336 ( -5.269 -3.383 2.946) 6.920 5.361 ( -2.879 -1.288 2.788) 4.209 5.560 ( 2.453 -4.558 2.923) 5.944 5.679 ( -4.329 0.820 3.153) 5.418 5.781 ( 4.546 -0.656 -3.541) 5.800 5.840 ( 5.349 1.558 6.669) 8.690 5.939 ( -0.043 7.008 1.188) 7.108 6.060 ( -5.590 1.161 -5.476) 7.911 6.136 ( -13.654 -3.569 -6.331) 15.467 6.410 ( 4.573 -7.931 6.551) 11.257 6.540 ( -1.589 -4.827 0.326) 5.093 6.580 ( -4.762 0.072 -9.743) 10.844 6.645 ( -11.399 0.169 0.360) 11.406 6.732 ( -7.106 1.443 3.153) 7.907 6.914 ( -3.624 -2.163 -1.150) 4.374 7.046 ( -11.233 -6.317 -4.690) 13.715 7.322 ( -2.776 -2.930 5.720) 7.001 7.367 ( -2.897 -6.403 -4.389) 8.285 7.519 ( -4.738 -0.107 -2.639) 5.425 7.647 ( 2.269 -1.280 0.884) 2.751 7.737 ( -0.179 -2.095 7.912) 8.187 7.914 ( -2.564 -5.987 0.159) 6.515 7.992 ( 3.748 -6.342 -3.794) 8.286 8.040 ( 3.910 -2.285 3.818) 5.924 8.104 ( -0.203 -2.644 4.945) 5.611 8.160 ( -0.598 -5.224 1.405) 5.442 8.257 ( 0.691 -10.056 -2.231) 10.324 8.313 ( -2.729 -5.372 4.663) 7.619 8.480 ( 2.392 -2.135 0.587) 3.259 8.602 ( 0.671 0.203 -0.027) 0.702 8.678 ( -5.672 -6.579 3.810) 9.485 8.697 ( 2.134 -6.135 1.546) 6.677 8.789 ( 6.877 3.857 -4.082) 8.879 8.911 ( -9.308 0.841 -4.725) 10.473 9.046 ( -4.113 -0.200 -7.514) 8.568 9.098 ( 2.143 -3.582 0.488) 4.202 9.115 ( 2.807 1.218 -4.118) 5.130 9.193 ( 1.116 1.638 -5.081) 5.454 9.253 ( -1.324 4.848 -2.495) 5.611 9.394 ( -5.034 7.274 5.784) 10.569 9.417 ( -2.164 -2.190 -1.545) 3.445 9.606 ( -5.896 2.578 1.934) 6.719 9.674 ( -2.884 -2.523 -0.673) 3.891 9.816 ( -2.774 -4.646 -0.531) 5.437 9.925 ( -0.126 5.829 1.963) 6.152 9.982 ( 2.730 -3.281 11.598) 12.359 10.019 ( -0.887 -3.817 2.566) 4.684 10.168 ( -4.798 -3.319 0.703) 5.876 10.302 ( 0.413 1.657 -5.565) 5.821 10.358 ( -2.417 -0.107 0.433) 2.458 10.379 ( -1.183 -0.785 -1.323) 1.940 10.452 ( -2.236 3.547 -5.360) 6.805 10.526 ( -3.061 -1.734 1.265) 3.739 10.648 ( -0.738 2.361 3.307) 4.130 10.687 ( -5.666 6.650 3.235) 9.316 10.844 ( -2.320 2.159 2.285) 3.907 10.929 ( 1.083 3.365 0.047) 3.535 10.964 ( 1.431 -2.361 -2.197) 3.528 10.996 ( -1.046 0.964 3.325) 3.616 11.181 ( 0.402 6.332 1.753) 6.582 11.271 ( 3.597 -3.106 -7.055) 8.506 11.402 ( 1.957 -6.629 1.857) 7.157 11.548 ( 6.381 1.824 -1.167) 6.739 11.599 ( 12.033 -1.012 -1.385) 12.154 11.751 ( 3.707 0.204 1.759) 4.108 11.933 ( 8.249 -5.996 3.011) 10.634 12.019 ( 11.017 -3.730 2.943) 11.998 12.136 ( 2.273 0.543 -1.542) 2.800 12.240 ( 2.658 -6.555 -4.570) 8.421 12.356 ( 2.273 -3.007 0.955) 3.889 12.389 ( 2.452 -6.912 0.210) 7.338 12.470 ( 4.998 -3.121 0.502) 5.913 12.602 ( 0.857 1.646 -0.605) 1.952 12.680 ( -2.269 1.696 -0.617) 2.900 12.733 ( 0.367 3.571 1.927) 4.074 12.884 ( 2.809 5.459 -1.003) 6.221 12.922 ( 3.103 -3.573 -1.248) 4.894 13.017 ( 2.840 -2.858 -2.056) 4.523 13.137 ( 2.377 2.457 -5.349) 6.348 13.198 ( 4.966 5.699 -1.413) 7.690 13.342 ( 1.966 3.550 4.696) 6.207 13.533 ( 5.889 1.751 1.374) 6.295 13.598 ( 0.818 -3.121 2.557) 4.116 13.775 ( -1.510 0.908 0.379) 1.802 13.908 ( -4.470 3.711 -13.968) 15.128 13.990 ( -4.454 5.588 -3.175) 7.819 13.997 ( -1.087 3.048 1.092) 3.415 14.345 ( 0.603 -0.727 -6.135) 6.207 14.353 ( -1.178 2.730 4.690) 5.553 14.472 ( -1.112 0.597 -0.243) 1.285 14.696 ( 7.186 -3.620 4.753) 9.345 14.797 ( 5.341 -1.249 0.323) 5.495 14.938 ( 3.133 2.446 1.260) 4.170 14.962 ( 8.482 4.717 5.753) 11.282 15.188 ( -3.843 -2.750 0.456) 4.748 15.254 ( 1.259 2.834 -1.744) 3.558 15.354 ( 1.657 2.365 2.989) 4.156 15.405 ( 3.720 0.485 3.055) 4.838 15.612 ( -2.218 1.779 -1.426) 3.181 15.627 ( 0.234 1.481 0.250) 1.520 15.704 ( 0.507 1.202 2.001) 2.389 15.727 ( 2.078 2.294 2.814) 4.183 15.789 ( 2.272 -0.436 -5.235) 5.723 15.833 ( -0.541 6.128 1.604) 6.358 15.913 ( 1.995 -0.236 -2.792) 3.440 15.994 ( -0.560 1.178 3.160) 3.419 16.164 ( 1.434 0.590 -0.075) 1.553 16.232 ( -1.003 4.988 -0.120) 5.089 16.311 ( 2.823 3.448 -4.695) 6.473 16.343 ( -0.032 1.532 -1.198) 1.945 16.561 ( -2.641 1.781 3.260) 4.558 16.673 ( 3.573 -2.828 -10.654) 11.587 16.745 ( -1.092 -3.284 4.479) 5.660 16.876 ( 1.545 2.160 5.347) 5.970 16.918 ( -6.102 0.033 -2.865) 6.741 17.123 ( 4.357 -4.050 1.269) 6.083 17.168 ( -4.680 -1.592 4.245) 6.515 17.243 ( -1.545 -2.154 1.372) 2.985 17.329 ( 6.564 -3.196 -2.261) 7.643 17.377 ( -0.656 -2.384 -1.375) 2.829 17.438 ( -0.543 -1.531 -1.575) 2.262 17.519 ( 2.400 -0.567 -2.057) 3.212 17.562 ( 2.363 -1.692 -0.975) 3.066 17.696 ( -5.796 -2.972 -0.273) 6.519 17.882 ( -0.960 -4.388 3.914) 5.958 18.372 ( 0.150 1.897 -0.311) 1.929 18.408 ( 0.452 2.590 0.471) 2.671 18.674 ( -0.062 -2.655 1.144) 2.891 18.728 ( -2.019 -0.555 -0.519) 2.157 19.482 ( -0.874 2.037 -0.817) 2.362 19.560 ( 0.605 1.939 2.107) 2.926 20.099 ( 6.486 -5.817 -11.635) 14.536 20.590 ( 11.411 -8.682 3.564) 14.774 21.036 ( -1.290 -0.124 5.943) 6.082 21.293 ( 2.007 -8.307 7.685) 11.493 21.458 ( 5.955 -10.244 0.770) 11.874 21.500 ( 3.106 -6.120 -3.825) 7.857 21.562 ( -0.763 -1.006 3.119) 3.365 21.604 ( -4.308 -8.145 -3.540) 9.871 21.936 ( -1.161 -0.985 0.097) 1.526 21.957 ( -4.238 -0.702 -0.450) 4.319 22.053 ( -1.017 0.040 0.543) 1.154 22.098 ( -1.344 2.611 0.204) 2.944 22.155 ( -1.572 3.611 2.123) 4.474 22.300 ( -6.002 1.865 0.805) 6.336 22.369 ( -1.442 4.059 -2.497) 4.979 22.389 ( -0.847 6.363 -1.179) 6.526 22.548 ( -0.815 2.959 -0.356) 3.090 22.622 ( -0.733 6.621 0.615) 6.690 22.754 ( 1.193 3.625 0.309) 3.828 22.895 ( 2.399 3.698 0.451) 4.431 22.981 ( -2.316 8.253 -0.698) 8.600 23.133 ( -0.688 9.485 -4.060) 10.341 23.177 ( 7.100 3.563 3.137) 8.541 23.433 ( -6.504 14.839 10.840) 19.493 23.522 ( -2.330 -1.362 -10.605) 10.944 24.190 ( -16.626 3.084 -3.031) 17.179 ======================= Grid point 10 (8/75) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 24.057 1.605 13.383) 27.575 2.178 ( 20.769 10.364 -7.154) 24.289 2.234 ( 23.671 11.617 4.159) 26.694 2.483 ( 14.824 5.893 -16.670) 23.074 2.628 ( -19.043 9.370 11.140) 23.969 2.727 ( -6.983 -1.255 7.758) 10.513 2.784 ( -23.294 -1.549 -4.881) 23.851 2.884 ( -20.210 5.867 -18.588) 28.078 3.094 ( -7.122 8.035 4.308) 11.570 3.310 ( 19.105 14.523 16.302) 29.012 3.570 ( 0.984 2.294 2.863) 3.798 3.752 ( -4.474 7.472 -0.089) 8.709 3.895 ( -0.120 5.635 6.299) 8.453 3.912 ( 10.113 13.773 -2.566) 17.279 3.997 ( -3.395 3.451 -3.155) 5.778 4.099 ( 3.107 -1.793 -4.428) 5.698 4.226 ( 3.048 2.103 -2.934) 4.725 4.386 ( -2.721 4.750 -5.696) 7.900 4.539 ( -9.200 5.799 -1.573) 10.989 4.628 ( -7.355 2.497 -5.036) 9.257 4.839 ( -0.333 -3.733 0.562) 3.790 5.000 ( -6.904 -2.260 6.230) 9.571 5.146 ( 4.818 -5.933 -1.588) 7.806 5.299 ( -4.223 1.467 2.347) 5.049 5.373 ( -0.129 -4.123 3.456) 5.381 5.504 ( -9.318 -1.289 -5.296) 10.795 5.749 ( 10.518 -2.589 0.170) 10.833 5.836 ( -3.927 -2.921 -2.019) 5.294 5.849 ( 0.669 1.220 3.465) 3.734 5.917 ( -1.927 1.311 0.240) 2.343 6.040 ( 3.124 4.109 5.639) 7.645 6.058 ( 3.696 -0.865 -0.622) 3.847 6.252 ( -8.788 1.555 -12.188) 15.106 6.470 ( -5.759 -6.756 3.428) 9.516 6.489 ( -4.170 1.286 -0.479) 4.390 6.628 ( 2.249 -3.003 2.992) 4.799 6.730 ( 2.678 -5.746 2.179) 6.704 6.839 ( -6.841 -5.182 -3.572) 9.295 6.955 ( 4.396 1.410 4.023) 6.123 7.224 ( -2.959 -3.725 -1.544) 5.002 7.310 ( -6.026 -8.295 0.116) 10.254 7.404 ( -4.229 -0.310 -1.020) 4.361 7.709 ( 1.270 -6.707 -0.692) 6.861 7.736 ( -1.601 -1.119 -0.088) 1.955 7.907 ( 5.488 -5.981 3.841) 8.980 8.006 ( -0.337 1.113 -0.315) 1.205 8.110 ( 2.115 -8.818 2.286) 9.352 8.157 ( -1.579 -7.054 -1.164) 7.321 8.198 ( 2.878 -0.561 4.248) 5.162 8.271 ( 1.680 -10.110 3.163) 10.726 8.330 ( -1.420 -2.293 -6.007) 6.585 8.386 ( -9.080 -10.941 -3.896) 14.742 8.574 ( -1.874 0.624 5.133) 5.500 8.646 ( -6.785 0.349 -3.193) 7.506 8.657 ( 1.044 0.427 -0.369) 1.186 8.789 ( 1.153 -2.791 -6.375) 7.054 8.816 ( 4.296 -5.870 1.169) 7.367 8.990 ( 1.531 0.172 -2.329) 2.792 9.076 ( -2.040 2.822 -1.490) 3.787 9.142 ( -0.592 -5.667 2.752) 6.328 9.217 ( 3.424 3.290 -2.981) 5.607 9.247 ( 1.541 -3.567 -2.271) 4.501 9.345 ( -5.515 8.576 3.062) 10.646 9.428 ( 3.131 -5.083 1.581) 6.176 9.524 ( -3.158 -2.837 -1.227) 4.419 9.671 ( 0.837 -3.097 1.866) 3.711 9.753 ( -2.990 4.883 -0.137) 5.727 9.918 ( 1.550 -2.714 3.152) 4.439 10.018 ( -3.381 0.417 -2.975) 4.523 10.121 ( 2.753 -3.848 -0.119) 4.733 10.205 ( 2.567 -3.223 7.829) 8.847 10.292 ( 0.868 8.220 -0.215) 8.268 10.306 ( -2.531 -5.924 1.967) 6.736 10.343 ( -0.792 7.209 -6.124) 9.492 10.373 ( -1.064 -0.248 1.151) 1.587 10.497 ( 1.611 1.041 -0.584) 2.006 10.602 ( -6.942 3.455 3.499) 8.507 10.744 ( 1.841 5.863 6.043) 8.619 10.778 ( -1.898 10.366 -3.270) 11.034 10.949 ( 1.255 -0.598 -0.534) 1.489 10.978 ( 2.121 1.096 -2.794) 3.675 11.006 ( -1.008 -6.849 0.786) 6.967 11.169 ( -1.092 9.604 0.363) 9.673 11.287 ( 2.100 -0.561 -2.063) 2.997 11.435 ( 0.295 -5.327 1.209) 5.470 11.667 ( 4.555 0.237 4.807) 6.627 11.714 ( 1.171 1.271 0.836) 1.920 11.811 ( 4.799 1.428 -4.912) 7.014 11.998 ( -2.932 -1.875 -1.326) 3.724 12.136 ( 3.347 -4.384 -3.818) 6.708 12.246 ( 2.146 -10.720 -0.595) 10.949 12.300 ( 8.630 -5.593 6.377) 12.101 12.400 ( 0.005 -4.911 -1.803) 5.232 12.418 ( -0.231 -4.332 4.047) 5.933 12.504 ( 0.075 -2.349 1.090) 2.591 12.613 ( 2.673 -2.315 -5.086) 6.194 12.670 ( 0.135 7.175 8.589) 11.192 12.792 ( -5.039 0.256 -4.819) 6.977 12.815 ( 4.225 3.402 2.526) 5.984 12.904 ( -4.820 -3.296 -6.350) 8.626 13.026 ( 2.079 0.830 -2.866) 3.637 13.117 ( 1.841 4.872 -3.312) 6.172 13.304 ( 4.416 1.840 -0.191) 4.788 13.431 ( 3.648 1.979 3.273) 5.286 13.600 ( -2.160 3.611 0.953) 4.314 13.631 ( 0.716 -3.888 1.685) 4.297 13.726 ( -2.205 3.466 -6.940) 8.064 13.811 ( 2.758 -3.405 0.787) 4.452 13.894 ( -2.867 8.019 -1.295) 8.613 13.996 ( -0.538 4.580 1.477) 4.843 14.303 ( 0.219 -0.950 -3.474) 3.608 14.383 ( 1.225 5.386 0.921) 5.600 14.441 ( -2.994 2.151 1.836) 4.118 14.822 ( 3.019 -1.345 -0.495) 3.342 14.888 ( 4.239 -1.154 3.104) 5.379 14.964 ( -0.563 -0.798 -1.174) 1.527 15.133 ( 4.422 2.800 -0.413) 5.250 15.147 ( -2.082 -1.785 5.001) 5.704 15.242 ( -0.431 -1.293 -1.286) 1.874 15.429 ( 3.492 2.757 1.473) 4.687 15.483 ( -0.327 -3.731 1.682) 4.105 15.575 ( 1.674 1.676 3.129) 3.924 15.642 ( -0.025 1.894 -0.715) 2.024 15.709 ( -2.057 3.387 0.113) 3.964 15.750 ( -1.731 2.193 -1.314) 3.087 15.793 ( 0.230 1.584 -1.658) 2.305 15.811 ( 1.066 1.708 2.280) 3.041 15.936 ( 2.321 1.314 0.588) 2.731 16.056 ( 1.594 2.419 1.808) 3.415 16.150 ( -2.818 8.715 -0.899) 9.203 16.224 ( 1.297 2.249 -0.852) 2.732 16.336 ( 2.080 1.268 0.726) 2.542 16.388 ( 5.654 2.580 -0.390) 6.227 16.514 ( -3.279 -3.471 0.727) 4.830 16.652 ( -1.685 0.680 -5.284) 5.588 16.658 ( -3.958 -1.082 -3.741) 5.553 16.829 ( -0.793 2.486 -0.320) 2.629 16.944 ( 0.210 1.663 4.410) 4.718 17.124 ( -1.278 -4.648 2.813) 5.581 17.189 ( -3.131 -3.597 -2.755) 5.507 17.247 ( 4.990 -1.942 0.034) 5.355 17.319 ( -2.172 -4.054 -1.548) 4.853 17.332 ( -0.537 -1.556 -1.967) 2.565 17.499 ( 3.067 -1.987 2.440) 4.394 17.542 ( 0.599 -1.510 -0.106) 1.628 17.580 ( 0.282 -4.225 -0.391) 4.253 17.642 ( -0.606 -1.495 -0.410) 1.664 17.883 ( -0.780 -2.272 0.899) 2.565 18.373 ( 0.113 2.280 -0.142) 2.287 18.416 ( 0.147 2.315 0.180) 2.326 18.678 ( -0.118 -2.137 0.386) 2.174 18.701 ( -0.635 -0.612 -0.239) 0.914 19.463 ( -0.472 2.208 -0.427) 2.299 19.587 ( 0.477 2.204 1.113) 2.514 20.094 ( 1.667 -4.724 -4.167) 6.516 20.780 ( 5.476 -7.032 0.776) 8.947 21.132 ( 3.560 -3.924 12.271) 13.366 21.330 ( -2.747 -7.751 -4.547) 9.397 21.442 ( -2.723 -6.891 -3.680) 8.274 21.479 ( -0.277 -6.197 -2.061) 6.537 21.570 ( 4.010 -6.806 -0.734) 7.934 21.606 ( -0.414 -7.030 1.694) 7.244 21.894 ( -1.303 3.402 0.371) 3.662 21.933 ( 0.008 -0.928 0.408) 1.014 21.995 ( -3.585 1.567 -0.630) 3.963 22.116 ( 0.090 2.787 2.976) 4.078 22.135 ( -0.982 4.555 -0.335) 4.672 22.213 ( -3.004 4.522 0.005) 5.429 22.366 ( 2.786 3.055 0.608) 4.179 22.419 ( 0.357 0.599 0.019) 0.697 22.515 ( -0.163 5.550 -0.381) 5.565 22.573 ( -3.180 6.129 -2.637) 7.392 22.784 ( 1.066 5.688 0.392) 5.801 22.942 ( -1.192 6.107 3.143) 6.970 22.951 ( 2.447 6.447 -0.791) 6.941 23.037 ( -3.250 7.437 -5.140) 9.607 23.333 ( 2.362 12.599 -0.645) 12.835 23.392 ( 0.858 7.977 5.568) 9.766 23.501 ( 1.662 1.142 -0.931) 2.222 23.919 ( -9.601 -3.934 -2.594) 10.694 ======================= Grid point 14 (9/75) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 0.000 32.118 0.000) 32.118 1.566 ( 0.000 34.849 0.000) 34.849 2.290 ( 0.000 20.823 0.000) 20.823 2.332 ( 0.000 27.631 0.000) 27.631 2.385 ( 0.000 10.466 0.000) 10.466 2.856 ( 0.000 13.559 0.000) 13.559 2.890 ( 0.000 12.193 0.000) 12.193 3.575 ( 0.000 3.842 0.000) 3.842 3.615 ( 0.000 1.492 0.000) 1.492 3.753 ( 0.000 -4.059 0.000) 4.059 3.775 ( 0.000 -1.177 0.000) 1.177 3.830 ( 0.000 -6.804 0.000) 6.804 4.155 ( 0.000 2.719 0.000) 2.719 4.164 ( 0.000 2.870 0.000) 2.870 4.306 ( 0.000 4.101 0.000) 4.101 4.309 ( 0.000 0.306 0.000) 0.306 4.336 ( 0.000 6.049 0.000) 6.049 4.494 ( 0.000 2.283 0.000) 2.283 4.666 ( 0.000 1.223 0.000) 1.223 4.677 ( 0.000 5.088 0.000) 5.088 4.875 ( 0.000 9.452 0.000) 9.452 5.136 ( 0.000 -13.735 0.000) 13.735 5.230 ( 0.000 2.300 0.000) 2.300 5.270 ( 0.000 -5.885 0.000) 5.885 5.385 ( 0.000 -8.401 0.000) 8.401 5.504 ( 0.000 0.901 0.000) 0.901 5.622 ( 0.000 6.393 0.000) 6.393 5.647 ( 0.000 -3.423 0.000) 3.423 5.761 ( 0.000 -1.616 0.000) 1.616 5.837 ( 0.000 -6.729 0.000) 6.729 6.215 ( 0.000 1.646 0.000) 1.646 6.315 ( 0.000 -7.178 0.000) 7.178 6.540 ( 0.000 -5.494 0.000) 5.494 6.582 ( 0.000 -9.140 0.000) 9.140 6.598 ( 0.000 -4.987 0.000) 4.987 6.769 ( 0.000 0.944 0.000) 0.944 6.992 ( 0.000 1.527 0.000) 1.527 7.002 ( 0.000 -10.917 0.000) 10.917 7.015 ( 0.000 -3.745 0.000) 3.745 7.251 ( 0.000 -9.006 0.000) 9.006 7.358 ( 0.000 -5.152 0.000) 5.152 7.507 ( 0.000 4.531 0.000) 4.531 7.551 ( 0.000 -13.161 0.000) 13.161 7.630 ( 0.000 -6.230 0.000) 6.230 7.796 ( 0.000 0.290 0.000) 0.290 7.944 ( 0.000 10.384 0.000) 10.384 7.996 ( 0.000 8.368 0.000) 8.368 8.000 ( 0.000 -10.366 0.000) 10.366 8.042 ( 0.000 -2.214 0.000) 2.214 8.163 ( 0.000 -6.366 0.000) 6.366 8.319 ( 0.000 4.647 0.000) 4.647 8.362 ( 0.000 -8.014 0.000) 8.014 8.405 ( 0.000 -3.276 0.000) 3.276 8.593 ( 0.000 -8.690 0.000) 8.690 8.651 ( 0.000 10.196 0.000) 10.196 8.892 ( 0.000 -12.302 0.000) 12.302 8.919 ( 0.000 -4.909 0.000) 4.909 9.101 ( 0.000 -3.330 0.000) 3.330 9.166 ( 0.000 0.323 0.000) 0.323 9.310 ( 0.000 4.192 0.000) 4.192 9.333 ( 0.000 2.315 0.000) 2.315 9.366 ( 0.000 3.245 0.000) 3.245 9.442 ( 0.000 -1.651 0.000) 1.651 9.520 ( 0.000 -0.051 0.000) 0.051 9.668 ( 0.000 4.585 0.000) 4.585 9.744 ( 0.000 -5.089 0.000) 5.089 9.746 ( 0.000 2.043 0.000) 2.043 9.922 ( 0.000 -5.724 0.000) 5.724 10.138 ( 0.000 -2.427 0.000) 2.427 10.242 ( 0.000 -7.096 0.000) 7.096 10.251 ( 0.000 5.529 0.000) 5.529 10.319 ( 0.000 8.262 0.000) 8.262 10.385 ( 0.000 6.973 0.000) 6.973 10.432 ( 0.000 0.546 0.000) 0.546 10.463 ( 0.000 -12.000 0.000) 12.000 10.597 ( 0.000 -1.368 0.000) 1.368 10.663 ( 0.000 -7.801 0.000) 7.801 10.737 ( 0.000 -1.449 0.000) 1.449 10.789 ( 0.000 1.645 0.000) 1.645 10.810 ( 0.000 -0.959 0.000) 0.959 10.907 ( 0.000 -2.265 0.000) 2.265 11.041 ( 0.000 -1.335 0.000) 1.335 11.052 ( 0.000 -4.615 0.000) 4.615 11.315 ( 0.000 0.212 0.000) 0.212 11.320 ( 0.000 -7.606 0.000) 7.606 11.346 ( 0.000 6.602 0.000) 6.602 11.438 ( 0.000 -3.770 0.000) 3.770 11.557 ( 0.000 -1.369 0.000) 1.369 11.645 ( 0.000 -6.840 0.000) 6.840 11.720 ( 0.000 -3.514 0.000) 3.514 11.736 ( 0.000 -0.913 0.000) 0.913 12.033 ( 0.000 -6.982 0.000) 6.982 12.096 ( 0.000 0.804 0.000) 0.804 12.324 ( 0.000 0.785 0.000) 0.785 12.368 ( 0.000 -7.697 0.000) 7.697 12.465 ( 0.000 -4.588 0.000) 4.588 12.471 ( 0.000 0.500 0.000) 0.500 12.742 ( 0.000 -1.283 0.000) 1.283 12.996 ( 0.000 2.239 0.000) 2.239 13.040 ( 0.000 3.919 0.000) 3.919 13.040 ( 0.000 5.887 0.000) 5.887 13.159 ( 0.000 3.729 0.000) 3.729 13.253 ( 0.000 8.638 0.000) 8.638 13.285 ( 0.000 -3.570 0.000) 3.570 13.505 ( 0.000 -1.421 0.000) 1.421 13.741 ( 0.000 1.798 0.000) 1.798 13.963 ( 0.000 2.002 0.000) 2.002 14.036 ( 0.000 -0.316 0.000) 0.316 14.071 ( 0.000 -0.710 0.000) 0.710 14.218 ( 0.000 3.831 0.000) 3.831 14.315 ( 0.000 0.106 0.000) 0.106 14.366 ( 0.000 -0.142 0.000) 0.142 14.476 ( 0.000 5.377 0.000) 5.377 14.521 ( 0.000 0.822 0.000) 0.822 14.842 ( 0.000 0.541 0.000) 0.541 14.902 ( 0.000 -0.311 0.000) 0.311 14.991 ( 0.000 8.324 0.000) 8.324 15.078 ( 0.000 4.209 0.000) 4.209 15.343 ( 0.000 1.719 0.000) 1.719 15.394 ( 0.000 5.882 0.000) 5.882 15.397 ( 0.000 2.626 0.000) 2.626 15.491 ( 0.000 -3.792 0.000) 3.792 15.619 ( 0.000 9.927 0.000) 9.927 15.646 ( 0.000 3.075 0.000) 3.075 15.689 ( 0.000 1.065 0.000) 1.065 15.818 ( 0.000 -0.877 0.000) 0.877 15.818 ( 0.000 2.932 0.000) 2.932 15.883 ( 0.000 -0.135 0.000) 0.135 16.010 ( 0.000 1.265 0.000) 1.265 16.121 ( 0.000 0.329 0.000) 0.329 16.309 ( 0.000 5.209 0.000) 5.209 16.320 ( 0.000 5.030 0.000) 5.030 16.388 ( 0.000 0.342 0.000) 0.342 16.540 ( 0.000 -1.452 0.000) 1.452 16.575 ( 0.000 6.001 0.000) 6.001 16.795 ( 0.000 -0.348 0.000) 0.348 16.948 ( 0.000 3.827 0.000) 3.827 16.952 ( 0.000 -2.718 0.000) 2.718 17.076 ( 0.000 0.994 0.000) 0.994 17.090 ( 0.000 0.091 0.000) 0.091 17.278 ( 0.000 -4.619 0.000) 4.619 17.346 ( 0.000 3.418 0.000) 3.418 17.353 ( 0.000 -3.490 0.000) 3.490 17.376 ( 0.000 0.635 0.000) 0.635 17.462 ( 0.000 -2.773 0.000) 2.773 17.569 ( 0.000 4.204 0.000) 4.204 17.643 ( 0.000 2.162 0.000) 2.162 17.814 ( 0.000 -4.553 0.000) 4.553 18.397 ( 0.000 0.079 0.000) 0.079 18.434 ( 0.000 1.554 0.000) 1.554 18.601 ( 0.000 -1.445 0.000) 1.445 18.791 ( 0.000 -2.113 0.000) 2.113 19.514 ( 0.000 0.554 0.000) 0.554 19.593 ( 0.000 1.037 0.000) 1.037 19.814 ( 0.000 -4.500 0.000) 4.500 20.131 ( 0.000 -9.112 0.000) 9.112 20.918 ( 0.000 2.230 0.000) 2.230 21.024 ( 0.000 -0.689 0.000) 0.689 21.334 ( 0.000 0.463 0.000) 0.463 21.335 ( 0.000 -4.798 0.000) 4.798 21.549 ( 0.000 -5.040 0.000) 5.040 21.602 ( 0.000 0.255 0.000) 0.255 21.861 ( 0.000 -5.062 0.000) 5.062 21.940 ( 0.000 -1.449 0.000) 1.449 22.093 ( 0.000 0.465 0.000) 0.465 22.111 ( 0.000 -2.085 0.000) 2.085 22.307 ( 0.000 -0.552 0.000) 0.552 22.368 ( 0.000 -2.706 0.000) 2.706 22.476 ( 0.000 5.871 0.000) 5.871 22.559 ( 0.000 2.033 0.000) 2.033 22.595 ( 0.000 0.468 0.000) 0.468 22.779 ( 0.000 10.310 0.000) 10.310 22.905 ( 0.000 1.065 0.000) 1.065 22.955 ( 0.000 6.495 0.000) 6.495 22.980 ( 0.000 7.500 0.000) 7.500 23.311 ( 0.000 10.074 0.000) 10.074 23.317 ( 0.000 14.249 0.000) 14.249 23.749 ( 0.000 -2.810 0.000) 2.810 23.761 ( 0.000 13.290 0.000) 13.290 24.785 ( 0.000 -7.451 0.000) 7.451 ======================= Grid point 15 (10/75) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 10.030 30.954 5.511) 33.002 1.671 ( 13.082 30.845 0.930) 33.517 2.330 ( 9.570 7.531 -13.708) 18.336 2.409 ( 0.657 16.166 16.573) 23.161 2.585 ( 17.575 30.574 8.116) 36.187 2.774 ( 7.678 17.689 -23.780) 30.616 3.058 ( 2.137 7.344 22.381) 23.652 3.462 ( -13.436 1.302 5.714) 14.659 3.558 ( -12.681 -2.477 -2.862) 13.233 3.613 ( -12.154 1.638 -0.080) 12.264 3.693 ( 0.031 4.396 0.216) 4.401 3.957 ( 7.977 -3.658 -2.250) 9.060 3.991 ( -6.160 5.789 -6.108) 10.429 4.154 ( 1.510 2.952 -7.527) 8.225 4.245 ( -4.358 4.826 0.523) 6.523 4.271 ( -1.792 6.348 -4.828) 8.174 4.369 ( -2.045 5.485 -1.781) 6.119 4.452 ( -10.600 2.219 -3.232) 11.302 4.568 ( 3.751 -1.461 8.319) 9.242 4.714 ( -0.869 0.041 -1.714) 1.922 4.974 ( 3.988 3.242 4.600) 6.898 5.153 ( -1.511 -0.095 -6.999) 7.161 5.178 ( -6.009 -7.836 2.228) 10.123 5.216 ( -3.441 -8.880 4.354) 10.471 5.404 ( 3.932 -5.096 -5.105) 8.215 5.484 ( -1.673 -2.164 -1.889) 3.324 5.634 ( 6.662 -0.339 -0.425) 6.685 5.686 ( -0.456 -0.239 2.999) 3.043 5.780 ( 6.364 4.948 7.651) 11.114 5.942 ( 4.001 -6.869 -3.063) 8.519 6.156 ( -12.172 -0.579 -0.660) 12.203 6.294 ( -6.214 -8.085 -12.805) 16.369 6.300 ( -4.013 0.724 -2.562) 4.816 6.421 ( -2.142 -8.828 2.647) 9.462 6.660 ( -2.129 -4.264 3.943) 6.186 6.772 ( -6.278 -1.996 -6.195) 9.043 6.904 ( -3.962 1.041 2.482) 4.790 7.013 ( -6.929 -3.764 0.638) 7.911 7.126 ( -7.691 -3.216 10.087) 13.086 7.268 ( -7.324 -6.847 -3.854) 10.742 7.286 ( 7.932 -5.735 2.806) 10.182 7.437 ( -4.081 -9.326 -2.745) 10.544 7.531 ( -1.423 -2.146 1.613) 3.038 7.583 ( -2.951 -7.470 1.533) 8.177 7.748 ( -5.946 -3.092 -4.119) 7.866 7.863 ( 0.406 -11.190 5.375) 12.421 7.919 ( -1.845 0.033 0.042) 1.846 8.027 ( -3.513 2.446 5.210) 6.743 8.121 ( 6.281 1.827 -6.151) 8.980 8.222 ( 1.886 -2.529 2.071) 3.774 8.344 ( -0.363 -2.491 0.045) 2.517 8.391 ( -3.139 2.177 2.238) 4.427 8.432 ( 2.955 -3.278 -0.103) 4.414 8.561 ( 4.144 -1.994 3.853) 6.000 8.703 ( -8.016 -3.810 3.163) 9.422 8.849 ( 3.183 -0.516 5.554) 6.422 8.971 ( -1.415 -2.744 -4.523) 5.476 9.048 ( -1.629 -1.866 -6.027) 6.516 9.106 ( -3.761 -5.693 -7.397) 10.063 9.173 ( 1.679 -0.240 -4.662) 4.961 9.295 ( -5.384 2.401 -1.610) 6.111 9.378 ( -1.350 2.074 -1.057) 2.691 9.429 ( 0.882 2.613 2.632) 3.813 9.556 ( -3.519 -1.445 1.787) 4.203 9.630 ( 1.128 2.204 -2.412) 3.457 9.724 ( -1.346 -1.761 -0.931) 2.404 9.802 ( -2.908 -3.891 5.793) 7.560 9.867 ( -8.456 3.563 3.937) 9.985 10.033 ( -7.865 -4.311 1.724) 9.133 10.094 ( -9.071 -7.032 2.715) 11.794 10.158 ( -9.930 7.868 4.156) 13.334 10.363 ( 3.751 -3.304 -8.989) 10.286 10.389 ( -6.931 -1.305 -2.727) 7.562 10.432 ( -0.245 1.447 1.749) 2.283 10.507 ( 7.399 5.573 3.406) 9.869 10.605 ( 1.507 -4.381 -1.479) 4.863 10.620 ( -5.986 -7.726 0.396) 9.782 10.747 ( 9.385 5.006 -0.992) 10.683 10.788 ( 3.722 -2.743 0.599) 4.662 10.895 ( 0.697 0.900 2.292) 2.559 10.971 ( -0.015 -0.038 3.125) 3.125 11.037 ( 5.876 0.848 -1.876) 6.226 11.175 ( -2.063 1.386 -1.085) 2.712 11.189 ( 6.563 -2.341 -8.486) 10.981 11.312 ( 0.653 0.035 -1.263) 1.422 11.378 ( 6.303 -3.514 -3.500) 8.020 11.517 ( 4.760 -1.282 4.304) 6.545 11.596 ( 2.501 -2.331 -4.182) 5.402 11.607 ( 6.038 -1.203 6.402) 8.882 11.797 ( 5.938 -5.176 4.675) 9.160 11.941 ( 6.287 -10.380 2.402) 12.371 12.078 ( 3.102 -3.936 -3.480) 6.102 12.214 ( 12.065 -4.602 -1.323) 12.980 12.230 ( -2.214 -2.055 -7.380) 7.974 12.409 ( 0.943 1.183 2.795) 3.178 12.520 ( 10.400 -4.339 -2.053) 11.454 12.541 ( 4.344 -1.906 0.934) 4.835 12.763 ( 0.966 -0.652 4.231) 4.389 12.938 ( -6.688 3.222 1.144) 7.512 13.033 ( -0.250 5.222 0.237) 5.234 13.099 ( 1.671 -0.895 -3.088) 3.623 13.116 ( -1.925 6.422 1.111) 6.796 13.259 ( -0.437 2.078 3.306) 3.929 13.305 ( 1.183 2.901 3.457) 4.665 13.504 ( 0.523 -2.464 -0.896) 2.673 13.647 ( -5.328 2.822 -5.609) 8.235 13.901 ( -7.254 2.264 1.768) 7.802 14.008 ( 4.210 3.518 0.708) 5.532 14.091 ( 3.359 0.327 -10.191) 10.736 14.251 ( 1.099 7.554 -2.877) 8.158 14.295 ( -0.832 -0.169 -0.103) 0.855 14.441 ( 4.871 2.636 -2.658) 6.143 14.464 ( 0.278 -0.149 5.164) 5.174 14.587 ( 2.958 -0.257 -3.613) 4.677 14.655 ( -2.472 5.810 -0.279) 6.320 14.927 ( 1.666 1.189 2.448) 3.191 15.036 ( 1.127 8.885 -2.668) 9.345 15.110 ( 1.510 -4.755 -0.944) 5.078 15.346 ( 1.760 2.525 0.490) 3.116 15.384 ( -3.090 0.864 1.179) 3.418 15.411 ( 0.032 4.666 -0.598) 4.704 15.615 ( 3.174 1.326 3.762) 5.097 15.675 ( 3.444 2.615 2.970) 5.246 15.692 ( 0.168 1.506 2.595) 3.005 15.721 ( 5.585 4.010 0.127) 6.876 15.792 ( -0.373 1.511 2.192) 2.688 15.840 ( 2.555 2.220 -0.107) 3.386 15.938 ( 3.979 -0.732 -3.176) 5.143 16.013 ( -0.111 -3.013 5.067) 5.896 16.105 ( -0.894 1.104 0.098) 1.424 16.256 ( -1.497 4.339 -0.595) 4.628 16.334 ( 0.846 2.184 0.110) 2.345 16.411 ( 0.891 2.281 -2.509) 3.507 16.546 ( 5.154 0.830 -3.790) 6.451 16.630 ( 0.006 2.632 5.972) 6.526 16.800 ( -0.126 2.251 -1.471) 2.692 16.875 ( -3.844 1.833 -0.479) 4.285 16.946 ( -0.408 -2.176 -0.376) 2.246 17.092 ( 0.593 1.991 -0.615) 2.167 17.138 ( 4.076 -2.247 0.457) 4.677 17.217 ( -4.243 -1.707 -0.476) 4.598 17.308 ( -4.604 0.725 3.601) 5.890 17.356 ( 0.922 -0.924 -3.993) 4.201 17.385 ( 0.978 -0.431 0.576) 1.214 17.504 ( 2.822 -1.576 -1.595) 3.605 17.549 ( -0.197 2.701 -0.177) 2.714 17.659 ( -1.759 -3.536 1.988) 4.421 17.812 ( -0.259 -0.768 2.158) 2.305 18.397 ( 0.281 0.370 -0.203) 0.507 18.443 ( 0.676 1.470 0.259) 1.639 18.607 ( 0.200 -1.838 0.834) 2.029 18.758 ( -2.614 -1.537 -0.724) 3.118 19.523 ( 0.602 0.920 0.508) 1.211 19.584 ( -0.440 1.957 0.378) 2.041 19.884 ( 8.301 -6.692 -5.103) 11.820 20.193 ( 6.154 -9.811 1.256) 11.650 20.987 ( 3.487 -1.220 6.828) 7.763 21.027 ( -0.863 -0.317 2.256) 2.437 21.330 ( 0.348 -5.141 -3.387) 6.166 21.340 ( 1.985 -1.666 -1.444) 2.966 21.536 ( -0.499 -2.939 -0.115) 2.983 21.591 ( -2.119 -0.947 0.568) 2.390 21.872 ( 0.535 -4.120 1.210) 4.327 21.947 ( -0.235 -1.490 1.346) 2.021 22.077 ( -2.018 -0.116 0.413) 2.063 22.101 ( -0.196 -3.058 -2.654) 4.054 22.226 ( -2.021 1.500 -0.715) 2.616 22.416 ( -2.751 3.988 -3.825) 6.173 22.458 ( 1.248 -1.021 0.488) 1.685 22.544 ( 1.681 2.234 1.578) 3.210 22.645 ( -0.650 3.547 2.539) 4.410 22.764 ( -1.653 8.878 0.088) 9.031 22.835 ( -1.944 2.580 -1.009) 3.385 22.966 ( 3.143 8.638 -1.243) 9.276 23.087 ( 4.264 4.755 5.798) 8.626 23.265 ( -3.332 12.305 0.152) 12.749 23.371 ( 3.871 10.893 0.124) 11.561 23.593 ( -4.050 0.484 -14.558) 15.118 23.807 ( -7.080 10.375 13.545) 18.473 24.607 ( -15.132 -2.942 -5.272) 16.292 ======================= Grid point 16 (11/75) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 14.425 24.129 8.669) 29.419 2.037 ( 22.818 23.713 4.769) 33.253 2.408 ( 13.071 13.836 -13.831) 23.528 2.574 ( 7.491 13.155 -2.075) 15.280 2.715 ( 10.098 16.096 -12.682) 22.845 3.063 ( 12.583 15.831 11.398) 23.213 3.197 ( -11.033 2.678 0.693) 11.374 3.271 ( -22.797 10.433 12.408) 27.973 3.332 ( 2.066 4.045 15.879) 16.516 3.384 ( -8.371 7.053 -2.366) 11.199 3.615 ( -7.849 11.476 1.140) 13.950 3.949 ( 2.704 2.940 0.915) 4.097 4.017 ( 4.476 -0.256 -9.022) 10.075 4.088 ( -6.896 6.739 -6.247) 11.489 4.102 ( -0.871 6.556 -6.075) 8.981 4.208 ( -2.889 5.312 -0.005) 6.047 4.299 ( 1.428 7.985 -4.152) 9.112 4.413 ( 3.721 0.873 1.317) 4.043 4.626 ( -2.125 -2.790 0.467) 3.538 4.690 ( -1.554 -6.159 2.713) 6.907 4.918 ( -9.013 -6.253 -1.989) 11.148 5.059 ( -3.469 -7.511 -2.756) 8.721 5.164 ( -1.852 4.903 4.878) 7.160 5.198 ( -0.136 0.795 -5.597) 5.655 5.355 ( -3.728 -2.259 8.713) 9.743 5.542 ( 7.987 -0.484 -2.387) 8.350 5.742 ( 6.198 -2.030 -3.254) 7.288 5.772 ( -8.003 0.438 -7.188) 10.766 5.799 ( 2.009 -2.347 5.696) 6.480 5.935 ( -10.161 -4.883 -1.981) 11.447 6.009 ( 1.162 -5.561 3.108) 6.476 6.114 ( -3.611 -2.144 -0.988) 4.314 6.188 ( 2.344 -3.704 -5.053) 6.690 6.453 ( -3.811 -8.110 4.456) 10.008 6.538 ( -6.990 -3.369 -6.042) 9.834 6.703 ( -13.488 0.553 0.970) 13.534 6.762 ( 0.314 -0.468 3.019) 3.071 6.843 ( -4.080 1.977 0.497) 4.561 6.977 ( -13.935 -1.345 -3.532) 14.438 7.085 ( -7.531 -17.404 -8.255) 20.683 7.291 ( -3.122 -1.557 8.496) 9.185 7.440 ( -4.161 -9.340 3.451) 10.792 7.556 ( -0.340 -6.582 1.547) 6.770 7.609 ( -0.162 -4.898 0.054) 4.901 7.673 ( 2.224 -9.712 1.738) 10.114 7.897 ( 2.323 -4.445 -2.267) 5.504 7.951 ( -1.592 -8.347 4.789) 9.754 8.007 ( -0.781 -10.672 0.561) 10.716 8.095 ( -1.930 -3.841 -2.303) 4.877 8.173 ( -10.137 6.339 -1.439) 12.042 8.324 ( 1.965 4.246 6.234) 7.794 8.344 ( -2.185 -10.490 -3.271) 11.203 8.480 ( 1.848 -3.289 1.297) 3.989 8.632 ( -3.507 0.575 2.846) 4.553 8.692 ( 3.292 0.124 -3.138) 4.550 8.829 ( -3.295 1.798 3.654) 5.239 8.896 ( -3.214 -3.418 -5.369) 7.130 8.984 ( -3.471 -4.006 -3.374) 6.284 9.083 ( 4.626 4.335 -3.764) 7.372 9.138 ( 2.172 -0.245 -5.926) 6.316 9.217 ( -2.203 2.980 0.623) 3.758 9.356 ( -2.398 -5.603 0.672) 6.132 9.420 ( -3.827 4.180 0.931) 5.743 9.481 ( -2.884 2.195 1.858) 4.073 9.590 ( -7.314 -1.126 0.823) 7.446 9.630 ( -6.024 -3.001 1.191) 6.835 9.697 ( -5.046 -2.184 2.806) 6.172 9.861 ( -2.892 -3.714 8.366) 9.599 9.954 ( 1.793 -0.833 1.013) 2.221 10.052 ( -0.314 -3.036 1.074) 3.236 10.145 ( 5.019 5.894 -0.583) 7.763 10.211 ( -5.392 -1.500 -3.735) 6.729 10.376 ( 2.081 -1.982 -1.703) 3.340 10.471 ( 0.004 3.132 0.570) 3.184 10.513 ( -3.618 0.481 -0.064) 3.650 10.578 ( -0.125 2.303 -0.025) 2.307 10.690 ( 2.804 3.886 2.401) 5.360 10.751 ( 0.147 -4.200 0.621) 4.249 10.854 ( -3.112 4.578 3.393) 6.493 10.938 ( 1.510 3.459 2.491) 4.522 10.983 ( -3.602 0.909 -4.575) 5.893 11.113 ( 2.156 2.503 -7.341) 8.050 11.143 ( 7.897 -3.428 1.549) 8.747 11.295 ( 6.927 1.289 -1.544) 7.214 11.336 ( 2.553 -1.040 0.513) 2.804 11.536 ( 10.310 -6.848 -0.636) 12.393 11.590 ( 4.028 1.397 -0.619) 4.308 11.682 ( 7.274 -1.108 3.752) 8.259 11.819 ( 6.612 -3.299 3.716) 8.271 11.931 ( 8.562 -4.430 1.708) 9.791 12.045 ( 2.436 -10.764 -4.609) 11.960 12.102 ( 1.533 -6.848 -0.409) 7.029 12.168 ( 5.589 -5.648 -3.643) 8.741 12.313 ( -0.316 -2.449 0.871) 2.619 12.485 ( 3.863 1.168 1.272) 4.232 12.591 ( 1.315 -1.019 -2.104) 2.682 12.680 ( 7.043 -4.031 -2.537) 8.503 12.800 ( -6.490 2.542 1.547) 7.140 12.897 ( 4.641 -0.229 5.408) 7.130 12.983 ( -2.869 2.724 -5.583) 6.843 13.032 ( -0.097 3.917 -0.974) 4.037 13.176 ( 4.153 2.866 -0.696) 5.094 13.293 ( 1.172 -1.380 1.856) 2.593 13.361 ( 0.823 3.415 0.187) 3.518 13.506 ( 0.153 -4.321 -0.642) 4.371 13.584 ( 1.522 2.327 3.997) 4.869 13.828 ( -3.067 3.988 1.432) 5.231 14.013 ( -1.561 4.470 -9.340) 10.471 14.101 ( 4.297 6.842 0.177) 8.081 14.200 ( -1.917 12.629 -4.451) 13.527 14.288 ( 0.668 -2.141 -2.188) 3.133 14.434 ( 0.750 1.821 -3.311) 3.852 14.497 ( -2.915 3.629 5.239) 7.008 14.644 ( 5.765 -2.698 6.034) 8.771 14.745 ( 5.389 -1.354 -0.807) 5.615 14.992 ( 1.799 -2.354 -3.191) 4.354 15.046 ( 3.319 -0.759 1.831) 3.866 15.110 ( -0.831 2.667 2.090) 3.488 15.311 ( -4.132 1.202 0.749) 4.368 15.398 ( 2.121 1.942 0.055) 2.877 15.445 ( 2.134 4.841 2.877) 6.022 15.653 ( -2.350 1.246 3.135) 4.112 15.697 ( 0.332 5.081 0.769) 5.150 15.733 ( 1.706 0.980 -0.483) 2.026 15.777 ( 2.497 3.653 1.592) 4.703 15.842 ( 2.198 3.759 -0.148) 4.357 15.896 ( 2.278 1.402 -1.012) 2.860 15.935 ( 1.406 0.446 -0.967) 1.763 16.030 ( -0.251 0.535 -0.660) 0.886 16.142 ( 2.626 -2.185 0.205) 3.422 16.281 ( 1.374 0.189 3.582) 3.841 16.355 ( -0.254 0.641 2.579) 2.669 16.401 ( 2.855 3.764 -4.752) 6.700 16.580 ( -2.804 2.207 0.923) 3.686 16.648 ( 4.108 -0.025 -7.614) 8.651 16.770 ( -2.387 3.215 1.397) 4.241 16.843 ( -0.686 -2.465 0.073) 2.560 16.946 ( -0.028 1.982 1.785) 2.668 17.070 ( -3.362 0.948 1.338) 3.741 17.147 ( -0.488 -1.313 -2.795) 3.126 17.225 ( 1.232 -5.047 2.104) 5.605 17.265 ( -0.413 1.858 -0.101) 1.906 17.322 ( -0.564 -1.758 -3.046) 3.562 17.411 ( 0.564 -0.495 1.036) 1.279 17.504 ( 0.032 -0.777 -0.639) 1.007 17.570 ( 0.424 1.736 -0.785) 1.952 17.612 ( -2.428 -4.348 0.937) 5.068 17.844 ( 0.370 0.244 2.663) 2.699 18.405 ( 0.663 0.911 -0.178) 1.140 18.455 ( 0.420 1.429 0.156) 1.498 18.619 ( 0.145 -2.340 0.822) 2.484 18.709 ( -1.856 -1.016 -0.583) 2.194 19.533 ( 0.213 2.545 -0.558) 2.614 19.596 ( 0.688 1.660 1.721) 2.488 19.960 ( 5.664 -6.866 -6.356) 10.937 20.358 ( 9.398 -12.284 3.289) 15.812 21.036 ( -1.439 -0.059 4.554) 4.776 21.126 ( 4.134 -6.176 7.001) 10.210 21.275 ( -0.780 -6.178 -7.294) 9.590 21.372 ( 2.943 -5.005 -2.983) 6.527 21.530 ( -2.518 -1.499 -0.848) 3.051 21.553 ( -0.383 -0.228 2.298) 2.341 21.886 ( -0.539 -3.228 0.595) 3.326 21.943 ( -0.709 -0.257 0.167) 0.773 22.041 ( -2.314 -1.307 2.056) 3.360 22.086 ( 0.509 -1.700 -0.442) 1.829 22.228 ( 1.183 3.239 -0.009) 3.448 22.343 ( -2.933 2.375 -0.220) 3.780 22.424 ( -1.194 2.290 -3.100) 4.034 22.565 ( -5.180 7.098 -1.418) 8.901 22.612 ( 1.952 2.829 0.631) 3.495 22.785 ( -0.651 6.513 4.005) 7.673 22.832 ( 1.390 3.900 0.612) 4.186 23.012 ( 3.379 7.616 -1.882) 8.542 23.192 ( -2.534 8.775 -1.132) 9.204 23.250 ( 6.564 6.649 5.456) 10.819 23.360 ( -5.570 6.213 -9.140) 12.376 23.469 ( 5.078 2.915 -1.650) 6.083 23.767 ( -9.496 13.074 10.962) 19.527 24.240 ( -18.271 1.172 -6.812) 19.535 ======================= Grid point 17 (12/75) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 16.786 13.901 8.418) 23.364 2.481 ( 18.371 16.405 0.013) 24.630 2.541 ( 9.909 17.118 -4.421) 20.267 2.665 ( 10.187 12.784 -6.043) 17.428 2.804 ( -2.253 9.184 -0.612) 9.476 2.824 ( -5.355 9.537 -8.597) 13.912 2.940 ( -22.063 15.958 13.071) 30.204 3.086 ( -15.125 11.491 -11.442) 22.174 3.359 ( -3.854 14.908 6.084) 16.557 3.528 ( 6.640 4.116 11.423) 13.839 3.681 ( 5.725 7.740 5.659) 11.168 3.877 ( -8.381 5.161 -6.921) 12.032 4.001 ( 3.095 3.642 -2.908) 5.594 4.044 ( -0.734 1.210 8.231) 8.352 4.097 ( 1.111 7.968 -8.364) 11.605 4.236 ( 11.860 10.679 3.744) 16.393 4.348 ( 4.145 8.070 -0.941) 9.121 4.435 ( -2.286 -2.514 -2.972) 4.515 4.587 ( -3.189 -0.387 -2.102) 3.839 4.684 ( -0.666 -6.164 1.595) 6.401 4.765 ( -6.518 3.717 -2.096) 7.790 4.921 ( -5.872 -3.736 2.105) 7.271 5.097 ( 1.184 2.215 -1.617) 2.987 5.293 ( 1.120 -2.658 1.653) 3.324 5.315 ( -4.150 -1.682 -0.599) 4.518 5.543 ( -6.328 4.161 -2.869) 8.098 5.665 ( 4.835 -3.805 -5.209) 8.062 5.722 ( -3.839 -4.909 0.509) 6.253 5.835 ( 2.318 -2.138 2.825) 4.233 5.890 ( 2.057 -11.792 3.334) 12.426 5.950 ( -4.764 0.770 -0.808) 4.893 6.149 ( 2.546 2.230 -0.827) 3.484 6.206 ( -1.099 -9.609 5.496) 11.125 6.336 ( -5.199 -3.590 -8.749) 10.792 6.464 ( 0.438 -14.256 1.213) 14.315 6.613 ( 0.088 1.493 2.729) 3.112 6.687 ( -7.460 5.860 -1.059) 9.545 6.717 ( -6.202 -2.999 -2.950) 7.494 6.921 ( 6.532 -8.022 6.298) 12.111 6.988 ( -0.133 -10.422 -0.461) 10.433 7.183 ( -11.201 -3.070 -4.432) 12.431 7.406 ( -1.324 -3.001 4.566) 5.622 7.517 ( -2.340 -13.276 -4.964) 14.366 7.573 ( -1.285 -5.811 -0.929) 6.024 7.797 ( 4.962 -6.610 3.661) 9.040 7.888 ( 2.633 -12.328 -0.544) 12.618 7.928 ( -5.305 -8.818 1.487) 10.398 7.992 ( -0.229 -8.655 2.352) 8.972 8.058 ( 1.262 -5.973 0.221) 6.109 8.170 ( 0.187 -0.204 1.646) 1.669 8.269 ( -0.399 -6.518 -1.319) 6.662 8.339 ( -4.679 -1.988 -2.356) 5.603 8.444 ( -3.168 -2.635 0.973) 4.234 8.560 ( -1.114 -4.213 -5.018) 6.646 8.662 ( -0.324 2.099 -2.535) 3.307 8.799 ( -2.267 4.368 0.559) 4.953 8.890 ( -0.347 2.612 3.686) 4.531 8.935 ( 0.630 0.265 -0.369) 0.777 9.064 ( -1.643 -3.642 -4.349) 5.906 9.153 ( 0.928 -1.588 -2.175) 2.848 9.165 ( 2.237 5.348 -0.944) 5.873 9.353 ( -0.186 0.903 4.474) 4.568 9.407 ( -5.120 4.346 0.241) 6.720 9.427 ( -0.157 3.956 0.844) 4.049 9.552 ( -4.054 2.497 -0.747) 4.819 9.586 ( 3.438 -8.363 3.929) 9.859 9.658 ( -1.800 -5.022 0.825) 5.398 9.905 ( 3.008 -1.371 1.937) 3.832 10.037 ( 2.821 -2.816 1.879) 4.406 10.073 ( -3.081 -0.818 -0.373) 3.209 10.089 ( -2.218 0.819 -1.856) 3.006 10.206 ( 2.197 2.135 -1.983) 3.649 10.404 ( -0.520 -0.452 -0.538) 0.874 10.446 ( 2.750 -0.229 4.862) 5.591 10.537 ( 1.576 2.904 0.958) 3.440 10.590 ( 1.558 14.537 -1.420) 14.689 10.686 ( -2.565 2.973 2.251) 4.526 10.786 ( -2.060 -6.156 -0.681) 6.527 10.817 ( -0.306 2.623 3.261) 4.197 10.848 ( -4.159 -4.495 -4.796) 7.779 11.008 ( 1.809 1.452 2.445) 3.371 11.063 ( -0.018 0.399 -5.844) 5.857 11.260 ( 3.516 1.001 0.995) 3.788 11.367 ( 1.222 5.606 -0.072) 5.738 11.383 ( 2.550 2.492 0.275) 3.576 11.620 ( 1.756 -7.995 1.692) 8.359 11.720 ( 5.342 1.130 0.462) 5.480 11.785 ( 2.951 -2.076 -0.847) 3.706 11.891 ( -0.142 -5.151 -0.280) 5.161 12.015 ( -0.439 -9.759 -3.854) 10.502 12.085 ( 0.602 -3.984 -2.250) 4.615 12.148 ( 8.555 -6.085 4.491) 11.419 12.263 ( 3.099 -7.607 0.565) 8.233 12.328 ( 2.685 -3.026 1.970) 4.499 12.450 ( -5.996 -2.144 -2.087) 6.701 12.589 ( 0.485 -0.165 -1.436) 1.525 12.744 ( 2.626 -3.104 1.672) 4.396 12.788 ( 0.193 0.953 -3.230) 3.373 12.834 ( -4.543 0.997 2.515) 5.288 12.987 ( 0.952 7.227 1.755) 7.497 13.059 ( 1.929 2.784 -4.542) 5.665 13.237 ( 3.722 6.036 -1.806) 7.318 13.300 ( -2.356 -11.420 2.059) 11.841 13.374 ( 2.414 4.122 -1.203) 4.926 13.504 ( -0.489 -5.648 0.574) 5.698 13.709 ( 4.136 5.272 7.458) 10.026 13.806 ( -0.399 4.832 -1.086) 4.969 13.886 ( -3.534 6.176 -6.587) 9.697 14.125 ( -0.745 11.444 -2.351) 11.707 14.156 ( 0.328 10.813 0.906) 10.856 14.270 ( 0.211 -2.028 -2.251) 3.037 14.459 ( 1.534 1.404 0.768) 2.217 14.487 ( -1.798 2.405 2.255) 3.755 14.798 ( 3.676 -5.606 3.828) 7.720 14.820 ( 3.976 0.703 0.835) 4.123 14.963 ( 1.590 -6.504 -4.531) 8.085 15.023 ( -5.020 -1.522 -0.354) 5.258 15.198 ( 4.182 1.815 2.074) 5.008 15.254 ( -3.279 1.103 1.490) 3.767 15.425 ( 0.794 1.064 -0.081) 1.330 15.514 ( 2.726 3.541 1.534) 4.724 15.609 ( -3.168 2.270 0.746) 3.968 15.712 ( 0.086 4.488 0.984) 4.596 15.769 ( 0.894 1.726 -1.432) 2.415 15.791 ( 0.377 3.398 1.606) 3.777 15.850 ( -0.745 2.512 -2.606) 3.695 15.916 ( 1.476 5.863 1.816) 6.312 15.979 ( 0.950 1.924 1.009) 2.371 16.055 ( 1.726 -2.865 1.088) 3.517 16.181 ( 2.719 -4.912 -2.081) 5.987 16.320 ( -0.214 3.850 2.216) 4.447 16.374 ( -0.070 2.240 4.613) 5.128 16.425 ( 2.684 3.958 -5.239) 7.093 16.510 ( -0.592 0.086 -0.899) 1.079 16.640 ( -5.149 1.889 -4.116) 6.857 16.671 ( -0.239 0.662 -2.061) 2.178 16.890 ( 2.275 1.367 1.714) 3.159 16.970 ( 1.436 -0.389 0.326) 1.523 17.012 ( -4.238 0.613 2.241) 4.833 17.141 ( 3.084 -2.894 -4.218) 5.973 17.191 ( -5.295 -2.789 3.915) 7.151 17.281 ( 0.781 0.619 -2.184) 2.401 17.317 ( 1.941 0.153 -1.022) 2.199 17.425 ( 0.068 -3.502 0.855) 3.605 17.510 ( 0.600 -1.358 0.541) 1.580 17.537 ( -1.815 -0.834 0.105) 2.000 17.620 ( 0.870 -0.235 -0.105) 0.907 17.861 ( -0.129 0.140 0.917) 0.937 18.414 ( 0.384 1.352 -0.065) 1.407 18.460 ( 0.070 1.388 0.031) 1.390 18.626 ( 0.041 -2.477 0.305) 2.496 18.684 ( -0.573 -0.842 -0.191) 1.036 19.526 ( -0.118 3.531 -0.486) 3.566 19.627 ( 0.669 1.556 1.186) 2.068 19.976 ( 1.565 -6.026 -2.924) 6.879 20.532 ( 5.248 -15.281 2.319) 16.322 21.072 ( -0.457 -1.768 7.931) 8.138 21.164 ( -0.601 -6.940 -10.029) 12.210 21.264 ( 2.324 -5.338 6.861) 8.998 21.354 ( -0.546 -6.397 -5.871) 8.700 21.482 ( -1.252 -1.641 -0.476) 2.118 21.579 ( 0.238 0.615 1.524) 1.660 21.872 ( -0.505 -3.219 -0.200) 3.265 21.954 ( 2.162 0.691 -0.173) 2.276 22.008 ( -2.882 0.496 0.278) 2.937 22.104 ( -0.292 -1.223 2.454) 2.757 22.243 ( 0.744 4.722 -0.748) 4.839 22.309 ( -1.465 3.293 0.647) 3.661 22.393 ( 0.402 0.021 -1.188) 1.255 22.501 ( -1.212 6.066 -0.540) 6.209 22.625 ( 0.168 5.065 -0.073) 5.069 22.763 ( -2.648 9.241 0.404) 9.622 22.885 ( 2.493 3.045 0.353) 3.951 23.050 ( 0.432 5.770 2.435) 6.278 23.126 ( 0.173 4.837 -6.471) 8.081 23.193 ( -4.373 9.711 -0.907) 10.688 23.472 ( 9.179 4.845 1.512) 10.489 23.581 ( 8.265 4.575 3.007) 9.914 23.693 ( -6.783 14.114 6.115) 16.811 23.868 ( -15.893 1.349 -7.194) 17.497 ======================= Grid point 21 (13/75) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.000 26.632 0.000) 26.632 2.257 ( 0.000 30.540 0.000) 30.540 2.482 ( 0.000 11.909 0.000) 11.909 2.708 ( 0.000 17.993 0.000) 17.993 3.032 ( 0.000 21.723 0.000) 21.723 3.124 ( 0.000 9.953 0.000) 9.953 3.137 ( 0.000 10.569 0.000) 10.569 3.565 ( 0.000 -3.476 0.000) 3.476 3.613 ( 0.000 -9.825 0.000) 9.825 3.675 ( 0.000 2.804 0.000) 2.804 3.754 ( 0.000 0.346 0.000) 0.346 3.775 ( 0.000 3.304 0.000) 3.304 4.136 ( 0.000 -4.106 0.000) 4.106 4.272 ( 0.000 5.555 0.000) 5.555 4.296 ( 0.000 1.135 0.000) 1.135 4.421 ( 0.000 0.570 0.000) 0.570 4.435 ( 0.000 -0.047 0.000) 0.047 4.442 ( 0.000 0.155 0.000) 0.155 4.724 ( 0.000 -0.860 0.000) 0.860 4.814 ( 0.000 -8.936 0.000) 8.936 4.818 ( 0.000 6.028 0.000) 6.028 4.912 ( 0.000 -5.522 0.000) 5.522 5.110 ( 0.000 -9.404 0.000) 9.404 5.135 ( 0.000 -5.428 0.000) 5.428 5.243 ( 0.000 -5.369 0.000) 5.369 5.613 ( 0.000 0.745 0.000) 0.745 5.645 ( 0.000 2.066 0.000) 2.066 5.740 ( 0.000 13.602 0.000) 13.602 5.839 ( 0.000 5.132 0.000) 5.132 5.887 ( 0.000 9.799 0.000) 9.799 6.112 ( 0.000 -10.090 0.000) 10.090 6.241 ( 0.000 1.271 0.000) 1.271 6.401 ( 0.000 -6.547 0.000) 6.547 6.462 ( 0.000 -7.973 0.000) 7.973 6.496 ( 0.000 -0.529 0.000) 0.529 6.739 ( 0.000 -2.008 0.000) 2.008 6.836 ( 0.000 -4.032 0.000) 4.032 6.888 ( 0.000 -12.911 0.000) 12.911 6.985 ( 0.000 -0.056 0.000) 0.056 7.109 ( 0.000 -0.265 0.000) 0.265 7.281 ( 0.000 -3.849 0.000) 3.849 7.358 ( 0.000 -6.199 0.000) 6.199 7.434 ( 0.000 -9.374 0.000) 9.374 7.583 ( 0.000 -9.500 0.000) 9.500 7.760 ( 0.000 4.430 0.000) 4.430 7.864 ( 0.000 -3.531 0.000) 3.531 7.964 ( 0.000 -1.402 0.000) 1.402 8.043 ( 0.000 -2.492 0.000) 2.492 8.135 ( 0.000 2.493 0.000) 2.493 8.172 ( 0.000 4.775 0.000) 4.775 8.225 ( 0.000 -0.177 0.000) 0.177 8.332 ( 0.000 -6.582 0.000) 6.582 8.415 ( 0.000 -2.254 0.000) 2.254 8.489 ( 0.000 6.379 0.000) 6.379 8.684 ( 0.000 -3.798 0.000) 3.798 8.702 ( 0.000 -2.778 0.000) 2.778 8.902 ( 0.000 -0.335 0.000) 0.335 9.111 ( 0.000 4.535 0.000) 4.535 9.113 ( 0.000 -5.061 0.000) 5.061 9.272 ( 0.000 -6.391 0.000) 6.391 9.318 ( 0.000 -4.697 0.000) 4.697 9.377 ( 0.000 0.377 0.000) 0.377 9.448 ( 0.000 3.314 0.000) 3.314 9.530 ( 0.000 -7.488 0.000) 7.488 9.574 ( 0.000 4.490 0.000) 4.490 9.657 ( 0.000 -2.627 0.000) 2.627 9.899 ( 0.000 5.274 0.000) 5.274 9.964 ( 0.000 5.586 0.000) 5.586 10.037 ( 0.000 -9.338 0.000) 9.338 10.112 ( 0.000 -1.758 0.000) 1.758 10.174 ( 0.000 -12.469 0.000) 12.469 10.295 ( 0.000 -5.590 0.000) 5.590 10.370 ( 0.000 0.632 0.000) 0.632 10.468 ( 0.000 -1.912 0.000) 1.912 10.534 ( 0.000 7.267 0.000) 7.267 10.553 ( 0.000 -0.366 0.000) 0.366 10.571 ( 0.000 -4.709 0.000) 4.709 10.740 ( 0.000 7.660 0.000) 7.660 10.769 ( 0.000 -9.398 0.000) 9.398 10.854 ( 0.000 2.763 0.000) 2.763 10.868 ( 0.000 4.761 0.000) 4.761 10.997 ( 0.000 -2.547 0.000) 2.547 11.008 ( 0.000 -2.205 0.000) 2.205 11.163 ( 0.000 -4.174 0.000) 4.174 11.339 ( 0.000 -4.748 0.000) 4.748 11.350 ( 0.000 -1.856 0.000) 1.856 11.377 ( 0.000 -0.025 0.000) 0.025 11.475 ( 0.000 -6.814 0.000) 6.814 11.663 ( 0.000 5.403 0.000) 5.403 11.669 ( 0.000 0.743 0.000) 0.743 11.729 ( 0.000 0.477 0.000) 0.477 11.901 ( 0.000 -5.710 0.000) 5.710 12.147 ( 0.000 2.752 0.000) 2.752 12.258 ( 0.000 -1.672 0.000) 1.672 12.312 ( 0.000 -2.301 0.000) 2.301 12.398 ( 0.000 -2.220 0.000) 2.220 12.500 ( 0.000 2.666 0.000) 2.666 12.716 ( 0.000 -1.281 0.000) 1.281 13.003 ( 0.000 -1.011 0.000) 1.011 13.060 ( 0.000 -2.162 0.000) 2.162 13.114 ( 0.000 3.097 0.000) 3.097 13.231 ( 0.000 3.539 0.000) 3.539 13.237 ( 0.000 -0.935 0.000) 0.935 13.430 ( 0.000 8.091 0.000) 8.091 13.434 ( 0.000 -3.923 0.000) 3.923 13.719 ( 0.000 -2.270 0.000) 2.270 14.001 ( 0.000 -1.847 0.000) 1.847 14.034 ( 0.000 -3.639 0.000) 3.639 14.085 ( 0.000 5.872 0.000) 5.872 14.258 ( 0.000 0.890 0.000) 0.890 14.317 ( 0.000 -0.237 0.000) 0.237 14.480 ( 0.000 9.536 0.000) 9.536 14.495 ( 0.000 -2.966 0.000) 2.966 14.671 ( 0.000 10.956 0.000) 10.956 14.821 ( 0.000 -0.285 0.000) 0.285 14.948 ( 0.000 1.525 0.000) 1.525 15.052 ( 0.000 1.202 0.000) 1.202 15.187 ( 0.000 2.743 0.000) 2.743 15.297 ( 0.000 -5.119 0.000) 5.119 15.421 ( 0.000 -2.760 0.000) 2.760 15.507 ( 0.000 9.023 0.000) 9.023 15.524 ( 0.000 5.553 0.000) 5.553 15.701 ( 0.000 1.660 0.000) 1.660 15.763 ( 0.000 3.829 0.000) 3.829 15.805 ( 0.000 4.039 0.000) 4.039 15.842 ( 0.000 6.096 0.000) 6.096 15.843 ( 0.000 -0.862 0.000) 0.862 15.887 ( 0.000 1.664 0.000) 1.664 16.045 ( 0.000 2.437 0.000) 2.437 16.117 ( 0.000 -0.489 0.000) 0.489 16.345 ( 0.000 -2.271 0.000) 2.271 16.420 ( 0.000 -0.007 0.000) 0.007 16.455 ( 0.000 5.794 0.000) 5.794 16.474 ( 0.000 0.306 0.000) 0.306 16.699 ( 0.000 4.698 0.000) 4.698 16.768 ( 0.000 -2.671 0.000) 2.671 16.928 ( 0.000 0.941 0.000) 0.941 16.947 ( 0.000 -2.106 0.000) 2.106 17.112 ( 0.000 1.078 0.000) 1.078 17.132 ( 0.000 3.180 0.000) 3.180 17.220 ( 0.000 -0.618 0.000) 0.618 17.273 ( 0.000 -3.740 0.000) 3.740 17.377 ( 0.000 -0.934 0.000) 0.934 17.396 ( 0.000 -3.118 0.000) 3.118 17.437 ( 0.000 4.417 0.000) 4.417 17.630 ( 0.000 -0.019 0.000) 0.019 17.689 ( 0.000 2.211 0.000) 2.211 17.753 ( 0.000 -0.150 0.000) 0.150 18.388 ( 0.000 -0.555 0.000) 0.555 18.442 ( 0.000 -0.674 0.000) 0.674 18.585 ( 0.000 0.220 0.000) 0.220 18.742 ( 0.000 -2.638 0.000) 2.638 19.533 ( 0.000 1.319 0.000) 1.319 19.633 ( 0.000 2.781 0.000) 2.781 19.720 ( 0.000 -4.333 0.000) 4.333 19.954 ( 0.000 -7.581 0.000) 7.581 20.965 ( 0.000 1.933 0.000) 1.933 21.009 ( 0.000 -0.665 0.000) 0.665 21.259 ( 0.000 -2.045 0.000) 2.045 21.327 ( 0.000 -1.136 0.000) 1.136 21.475 ( 0.000 -1.961 0.000) 1.961 21.599 ( 0.000 -1.710 0.000) 1.710 21.791 ( 0.000 -0.240 0.000) 0.240 21.926 ( 0.000 0.107 0.000) 0.107 22.063 ( 0.000 -2.299 0.000) 2.299 22.079 ( 0.000 -2.014 0.000) 2.014 22.293 ( 0.000 -0.721 0.000) 0.721 22.309 ( 0.000 -2.429 0.000) 2.429 22.585 ( 0.000 0.752 0.000) 0.752 22.594 ( 0.000 -0.116 0.000) 0.116 22.600 ( 0.000 5.645 0.000) 5.645 22.857 ( 0.000 -2.288 0.000) 2.288 23.030 ( 0.000 10.961 0.000) 10.961 23.133 ( 0.000 7.865 0.000) 7.865 23.143 ( 0.000 7.058 0.000) 7.058 23.461 ( 0.000 2.321 0.000) 2.321 23.620 ( 0.000 13.352 0.000) 13.352 23.731 ( 0.000 2.343 0.000) 2.343 23.986 ( 0.000 8.529 0.000) 8.529 24.603 ( 0.000 -9.713 0.000) 9.713 ======================= Grid point 22 (14/75) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 11.122 25.059 0.869) 27.430 2.305 ( 4.877 28.119 1.817) 28.597 2.559 ( 8.380 13.708 -0.683) 16.081 2.766 ( 4.169 18.717 5.253) 19.882 3.084 ( 8.231 15.079 -12.267) 21.109 3.187 ( 6.359 14.846 3.387) 16.502 3.220 ( 4.643 8.053 8.267) 12.439 3.435 ( -10.306 1.529 -0.292) 10.423 3.526 ( -3.172 -5.367 -3.786) 7.294 3.690 ( -6.149 5.688 5.092) 9.803 3.774 ( 5.050 3.889 0.368) 6.385 3.897 ( 6.216 -1.974 2.556) 7.005 4.061 ( -5.871 0.267 0.529) 5.901 4.237 ( -2.482 4.138 -0.025) 4.826 4.312 ( 0.458 1.602 3.264) 3.665 4.354 ( -4.285 -1.763 -0.407) 4.652 4.381 ( -4.687 0.934 -5.044) 6.949 4.484 ( -1.292 -3.196 2.455) 4.233 4.587 ( -5.773 5.319 -2.726) 8.310 4.765 ( -4.459 2.470 -5.516) 7.510 4.864 ( -0.510 -10.034 -2.277) 10.302 4.978 ( -0.879 -5.932 1.752) 6.247 4.987 ( 0.558 -9.070 6.629) 11.248 5.209 ( 1.190 -0.144 -3.692) 3.881 5.287 ( 10.026 -6.971 -2.888) 12.548 5.517 ( -7.377 -0.353 -2.527) 7.806 5.679 ( -2.763 6.911 0.693) 7.475 5.685 ( -0.545 3.200 1.346) 3.514 5.869 ( 4.168 0.142 -7.035) 8.178 5.946 ( 7.153 6.688 -2.467) 10.098 6.025 ( -5.859 -9.606 -2.857) 11.609 6.214 ( -12.427 2.377 0.233) 12.654 6.289 ( -3.830 -1.905 -2.177) 4.799 6.300 ( -6.310 -0.847 -1.440) 6.527 6.543 ( -0.783 -5.972 6.533) 8.885 6.687 ( -1.677 -6.893 -3.813) 8.054 6.890 ( -2.597 -1.288 2.399) 3.763 6.953 ( -1.286 -12.632 -1.514) 12.787 7.038 ( -2.895 0.480 2.104) 3.611 7.091 ( -0.382 -2.145 6.634) 6.983 7.181 ( -11.910 -4.705 0.447) 12.813 7.275 ( -6.364 -7.078 -1.551) 9.644 7.418 ( -3.745 -7.169 1.253) 8.185 7.500 ( -0.150 -8.391 2.326) 8.709 7.652 ( -11.677 1.286 1.056) 11.795 7.814 ( -2.879 0.939 -1.191) 3.254 7.869 ( 1.082 -1.469 0.948) 2.056 7.959 ( -10.070 -5.974 -2.566) 11.987 8.128 ( -0.418 2.527 1.692) 3.070 8.210 ( -0.357 -4.540 -5.315) 6.999 8.319 ( 3.750 -5.887 2.424) 7.389 8.355 ( 4.220 2.815 0.294) 5.081 8.482 ( 6.186 0.753 4.064) 7.440 8.562 ( -3.358 6.391 0.129) 7.221 8.632 ( -4.553 0.102 6.214) 7.704 8.801 ( 3.327 -6.453 0.531) 7.279 8.886 ( 0.992 -2.359 -1.192) 2.823 8.994 ( -1.327 -2.202 -0.758) 2.681 9.039 ( -6.549 -2.558 -0.690) 7.064 9.197 ( -1.041 1.000 -2.257) 2.679 9.346 ( -0.845 0.290 -2.493) 2.649 9.384 ( -4.568 -2.099 -5.604) 7.529 9.444 ( 1.773 -0.540 -3.016) 3.540 9.500 ( -0.436 -0.199 -1.165) 1.260 9.595 ( -0.048 -1.060 7.108) 7.187 9.650 ( -1.099 -3.893 0.208) 4.050 9.841 ( -3.502 4.725 3.290) 6.738 9.928 ( -11.791 3.191 0.160) 12.216 10.018 ( 2.345 0.793 -6.431) 6.891 10.040 ( -7.665 -0.964 6.138) 9.866 10.209 ( -2.859 -4.909 5.550) 7.942 10.266 ( -1.488 -2.154 0.030) 2.619 10.365 ( -3.388 -1.988 -9.274) 10.072 10.399 ( -2.587 -7.042 6.878) 10.178 10.466 ( -3.291 -0.742 -2.691) 4.316 10.515 ( 4.778 -1.302 3.354) 5.982 10.658 ( 2.994 4.223 -4.117) 6.614 10.716 ( 6.256 -1.761 1.174) 6.605 10.860 ( 8.715 -0.456 1.736) 8.898 10.889 ( 2.061 -0.773 2.456) 3.298 10.936 ( -0.274 -1.899 1.545) 2.463 11.054 ( 9.702 2.325 -5.602) 11.441 11.144 ( 3.585 -2.843 0.910) 4.665 11.205 ( 8.157 2.513 -5.235) 10.013 11.275 ( -0.605 -3.016 -4.965) 5.841 11.318 ( -3.715 -2.318 -1.561) 4.649 11.460 ( 3.840 -6.098 5.621) 9.139 11.511 ( 9.552 -2.094 2.324) 10.051 11.692 ( 4.370 3.889 2.686) 6.437 11.734 ( 5.677 0.460 1.279) 5.837 11.763 ( 0.184 -4.357 2.177) 4.874 12.038 ( -2.949 0.273 -8.088) 8.613 12.101 ( 10.325 -5.161 -0.117) 11.544 12.190 ( 3.077 -3.219 -6.489) 7.870 12.395 ( 4.441 -2.173 0.430) 4.963 12.495 ( 6.369 2.960 2.881) 7.592 12.540 ( 2.968 0.128 0.758) 3.066 12.745 ( 1.422 -0.959 4.998) 5.284 12.957 ( -6.171 -0.578 1.276) 6.328 13.059 ( -0.442 -1.616 -1.207) 2.065 13.098 ( -1.213 2.008 0.916) 2.518 13.194 ( -2.318 -1.055 0.776) 2.662 13.288 ( 3.371 4.726 -0.656) 5.842 13.386 ( -0.749 -0.568 1.099) 1.446 13.488 ( 1.284 4.526 2.608) 5.379 13.652 ( -5.062 -1.241 -3.773) 6.434 13.941 ( -5.435 -0.045 1.109) 5.547 14.043 ( 4.125 -4.275 -4.052) 7.191 14.124 ( 5.639 5.882 -2.782) 8.610 14.322 ( 3.472 -0.612 1.925) 4.017 14.330 ( 0.947 3.404 -1.212) 3.735 14.486 ( 0.691 -0.266 -1.281) 1.479 14.530 ( 4.806 5.302 1.151) 7.248 14.658 ( 0.328 8.111 -4.216) 9.147 14.791 ( -5.799 5.119 2.308) 8.072 14.902 ( -0.936 -1.932 -0.740) 2.271 15.017 ( -0.721 -0.976 -4.489) 4.650 15.187 ( -0.983 2.591 3.322) 4.326 15.354 ( 4.285 -1.827 1.905) 5.033 15.390 ( -3.018 -0.313 -0.722) 3.119 15.533 ( 0.813 6.866 2.324) 7.295 15.626 ( 4.124 0.911 6.590) 7.827 15.710 ( -0.070 2.430 1.532) 2.874 15.777 ( 0.302 1.984 0.310) 2.030 15.795 ( -0.859 1.231 1.618) 2.207 15.837 ( 2.475 2.644 1.947) 4.112 15.893 ( 1.501 2.377 -1.779) 3.327 15.931 ( 6.832 3.493 -2.022) 7.935 16.002 ( -2.769 0.670 -1.086) 3.049 16.127 ( 0.511 1.925 -0.511) 2.056 16.296 ( -5.143 -2.611 3.088) 6.542 16.403 ( -0.361 3.119 -0.303) 3.155 16.466 ( 2.306 3.842 -4.873) 6.620 16.537 ( 7.183 -0.009 -2.974) 7.775 16.691 ( -2.922 1.614 3.391) 4.759 16.804 ( 3.817 -1.287 -1.708) 4.375 16.902 ( -2.196 1.767 -1.989) 3.450 16.940 ( 0.520 -0.080 0.332) 0.623 17.098 ( -0.664 -0.716 -0.096) 0.981 17.145 ( -2.148 1.937 3.986) 4.925 17.183 ( -1.771 -0.857 -2.840) 3.455 17.275 ( 0.092 -2.093 0.925) 2.290 17.358 ( -0.801 -0.030 -0.443) 0.916 17.433 ( 0.899 2.690 -0.737) 2.930 17.457 ( 2.843 -2.059 1.387) 3.775 17.587 ( -4.967 -1.675 -2.552) 5.830 17.630 ( -1.060 3.247 0.587) 3.466 17.815 ( 1.876 0.277 2.687) 3.289 18.395 ( 0.808 -0.282 -0.020) 0.856 18.449 ( 0.763 -0.741 -0.111) 1.069 18.586 ( -0.069 0.086 0.381) 0.397 18.722 ( -1.667 -1.960 -0.427) 2.609 19.546 ( 1.119 1.400 0.754) 1.944 19.636 ( 0.335 2.980 0.016) 2.999 19.759 ( 4.689 -5.112 -1.802) 7.167 19.999 ( 4.557 -8.386 0.603) 9.564 20.984 ( 1.085 0.412 1.899) 2.225 21.018 ( -0.123 -0.540 2.127) 2.198 21.244 ( 0.326 -2.111 -3.925) 4.468 21.312 ( -0.567 -1.685 -1.878) 2.586 21.489 ( 0.629 -1.307 1.841) 2.344 21.576 ( -1.425 -1.393 -1.769) 2.665 21.810 ( 0.005 -0.998 3.328) 3.474 21.933 ( 0.136 -0.115 0.709) 0.731 22.031 ( -1.994 -2.993 -1.888) 4.062 22.068 ( -1.130 -1.071 0.598) 1.667 22.255 ( 0.848 1.420 -0.884) 1.875 22.410 ( 3.596 -2.897 1.635) 4.898 22.503 ( -1.654 3.447 -4.192) 5.673 22.575 ( -0.635 0.878 0.338) 1.135 22.691 ( 1.276 1.801 5.367) 5.803 22.841 ( -1.481 -0.727 -0.898) 1.879 22.983 ( -1.983 9.978 -1.383) 10.267 23.148 ( 2.661 7.511 -1.545) 8.117 23.211 ( 3.364 6.034 4.146) 8.057 23.422 ( -3.290 -0.146 -3.078) 4.507 23.586 ( -2.695 10.945 -2.343) 11.513 23.680 ( -2.326 8.404 -1.976) 8.941 23.998 ( -3.694 7.298 7.867) 11.349 24.494 ( -9.486 -7.173 -4.009) 12.550 ======================= Grid point 23 (15/75) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 8.509 23.640 4.315) 25.492 2.524 ( 17.968 21.327 1.571) 27.932 2.744 ( 13.978 16.941 -3.424) 22.228 2.921 ( 6.468 19.028 3.282) 20.363 3.069 ( 4.281 14.086 -12.391) 19.243 3.207 ( -4.756 7.450 -8.428) 12.212 3.381 ( 6.471 7.480 8.631) 13.127 3.393 ( 0.424 3.996 3.140) 5.099 3.463 ( -8.429 5.240 5.963) 11.579 3.638 ( -3.931 13.733 11.675) 18.448 3.810 ( -1.821 5.041 -1.081) 5.468 3.977 ( 2.052 3.868 1.736) 4.710 4.067 ( 7.407 0.829 -3.976) 8.448 4.157 ( -5.045 -0.886 -7.911) 9.425 4.213 ( -3.239 2.629 -1.578) 4.460 4.320 ( -0.763 4.065 5.879) 7.188 4.378 ( 0.262 -1.254 -0.557) 1.397 4.425 ( -0.907 0.666 1.930) 2.234 4.573 ( 1.029 1.201 0.262) 1.603 4.588 ( -8.027 -2.545 -3.604) 9.159 4.787 ( -1.638 -3.744 -1.650) 4.407 4.941 ( -2.350 -4.922 2.562) 6.026 5.151 ( 1.397 -7.981 8.192) 11.522 5.218 ( 2.999 -0.306 -3.882) 4.915 5.364 ( -5.579 -0.423 -0.403) 5.610 5.456 ( 10.024 -7.281 -2.054) 12.558 5.598 ( -7.686 -1.642 5.714) 9.717 5.693 ( 1.025 -0.937 -5.448) 5.623 5.795 ( -4.142 -6.421 -10.244) 12.780 5.878 ( -2.348 0.073 -6.514) 6.925 5.991 ( -6.312 -0.585 3.925) 7.456 6.077 ( -6.633 -6.314 -2.017) 9.377 6.123 ( 0.412 1.822 -1.831) 2.616 6.292 ( -4.395 -0.795 6.519) 7.902 6.460 ( -10.211 -2.345 -3.471) 11.037 6.617 ( -8.738 -11.145 -5.051) 15.036 6.720 ( -6.809 -10.149 -6.194) 13.702 6.822 ( -3.076 0.966 -0.267) 3.236 6.917 ( -6.697 3.253 0.271) 7.450 6.938 ( -9.941 -2.522 0.288) 10.260 7.170 ( -7.217 -9.772 6.378) 13.720 7.235 ( -5.359 -4.311 10.036) 12.166 7.423 ( -1.035 -10.722 7.824) 13.313 7.497 ( 1.574 -7.902 -2.319) 8.384 7.568 ( -2.117 -0.183 2.111) 2.995 7.743 ( -3.881 -5.562 -7.325) 9.983 7.783 ( -2.899 -7.149 -1.638) 7.886 7.914 ( -0.488 0.749 3.521) 3.633 8.098 ( -1.029 -0.721 -2.156) 2.495 8.105 ( -6.886 -4.930 -6.158) 10.472 8.250 ( -8.907 -0.814 -2.623) 9.321 8.369 ( -2.071 1.853 -1.611) 3.212 8.500 ( 3.975 2.323 0.997) 4.710 8.635 ( 0.741 0.062 1.870) 2.012 8.672 ( 2.151 2.095 5.146) 5.958 8.792 ( -1.762 -5.739 3.550) 6.974 8.903 ( -1.399 -1.020 0.082) 1.733 8.937 ( -3.170 1.083 -0.439) 3.379 9.055 ( 5.115 -5.366 1.428) 7.550 9.207 ( -5.758 -4.069 -7.473) 10.274 9.266 ( 2.428 5.954 0.811) 6.481 9.308 ( -0.241 5.193 2.321) 5.693 9.367 ( -3.423 -5.865 -3.641) 7.705 9.496 ( 0.482 1.146 0.814) 1.487 9.586 ( -7.584 -0.240 -1.544) 7.744 9.671 ( -0.193 -1.587 7.090) 7.268 9.682 ( -6.606 6.326 3.043) 9.640 9.842 ( -1.662 2.568 7.411) 8.017 9.950 ( -2.432 2.647 -3.306) 4.884 10.080 ( 2.302 1.382 -1.821) 3.244 10.142 ( -2.075 -4.083 0.509) 4.609 10.236 ( -0.381 4.383 -3.440) 5.585 10.338 ( 5.505 -1.857 -3.915) 7.006 10.415 ( -1.038 -6.635 7.489) 10.059 10.512 ( 3.018 -1.075 5.109) 6.031 10.589 ( -1.097 -3.853 -1.797) 4.391 10.704 ( 5.381 4.499 0.077) 7.014 10.744 ( -1.990 -1.260 -3.748) 4.426 10.924 ( 2.919 -0.076 1.123) 3.128 10.972 ( 0.766 -1.838 -0.500) 2.053 11.004 ( -2.744 1.719 -2.721) 4.229 11.117 ( 7.906 -0.014 1.388) 8.027 11.140 ( 1.516 2.681 -6.559) 7.246 11.254 ( 5.046 -4.405 0.460) 6.714 11.351 ( 6.578 -6.529 -2.407) 9.576 11.375 ( 7.224 2.834 -1.550) 7.913 11.560 ( 4.620 -5.506 4.640) 8.555 11.687 ( 3.041 -0.384 5.742) 6.509 11.737 ( -0.339 -8.773 -0.552) 8.797 11.828 ( 7.492 0.955 -0.126) 7.554 11.903 ( 7.068 -3.665 1.462) 8.095 12.013 ( 5.763 1.174 1.667) 6.113 12.101 ( 2.052 -1.674 -6.386) 6.913 12.296 ( 4.430 -1.649 -5.924) 7.579 12.426 ( 0.386 -5.350 -0.178) 5.367 12.588 ( 0.653 -1.758 1.060) 2.154 12.610 ( 5.991 0.500 -3.065) 6.748 12.822 ( -2.258 -0.215 1.394) 2.663 12.899 ( 2.618 0.025 2.987) 3.972 13.005 ( -1.976 2.702 -2.673) 4.284 13.111 ( -0.583 2.038 5.610) 5.997 13.157 ( -2.291 -5.054 0.422) 5.565 13.326 ( 2.370 6.692 -1.729) 7.307 13.418 ( 2.001 -0.240 -3.081) 3.682 13.506 ( -3.168 3.982 1.097) 5.205 13.591 ( 2.581 -0.568 6.936) 7.423 13.893 ( -1.753 0.448 1.547) 2.381 14.041 ( 1.418 -2.646 -7.681) 8.247 14.221 ( 6.637 4.122 -3.464) 8.546 14.309 ( -1.021 4.533 -0.491) 4.673 14.402 ( 3.221 0.892 1.300) 3.586 14.466 ( -1.774 5.169 -2.583) 6.044 14.607 ( 0.375 1.900 0.504) 2.001 14.631 ( -1.508 6.324 -0.115) 6.502 14.730 ( 2.843 -0.936 -0.136) 2.996 14.887 ( -0.820 -2.769 -0.600) 2.950 15.023 ( 3.127 -0.148 -0.450) 3.163 15.194 ( -2.677 1.775 4.742) 5.728 15.326 ( -2.623 0.852 -0.983) 2.928 15.458 ( 3.949 2.533 1.946) 5.079 15.568 ( 0.896 6.017 2.497) 6.576 15.683 ( -1.838 1.304 2.005) 3.017 15.729 ( -0.050 0.080 3.130) 3.132 15.766 ( -0.741 -1.266 2.311) 2.737 15.844 ( 2.078 0.358 1.029) 2.346 15.895 ( 2.936 -0.414 -1.065) 3.151 15.899 ( 1.170 3.472 -2.661) 4.528 15.972 ( 1.824 2.004 -1.132) 2.936 16.035 ( 3.398 2.086 1.194) 4.162 16.118 ( 0.365 2.016 -2.720) 3.405 16.262 ( -1.527 -2.890 4.257) 5.367 16.402 ( -0.823 1.731 2.197) 2.916 16.472 ( 3.228 4.658 -4.603) 7.301 16.612 ( 3.135 0.368 -3.375) 4.621 16.661 ( -0.309 0.653 -1.836) 1.973 16.799 ( -2.045 1.378 -2.380) 3.427 16.873 ( -0.061 3.034 0.584) 3.090 16.970 ( 1.892 -0.997 0.175) 2.145 17.080 ( -0.527 -3.301 -2.305) 4.061 17.107 ( -2.810 -0.092 -1.113) 3.023 17.155 ( -2.246 0.339 4.550) 5.085 17.285 ( 0.525 -0.454 -0.141) 0.709 17.340 ( -0.284 3.019 -0.773) 3.129 17.432 ( -0.717 2.051 0.389) 2.208 17.488 ( -0.084 -0.662 -1.924) 2.036 17.526 ( -0.881 -3.699 2.196) 4.391 17.624 ( 0.099 3.396 0.384) 3.419 17.851 ( 0.121 -0.396 1.812) 1.859 18.413 ( 1.170 0.130 0.003) 1.177 18.461 ( 0.682 -0.710 -0.204) 1.005 18.589 ( -0.007 -0.123 0.456) 0.473 18.689 ( -1.364 -0.978 -0.364) 1.717 19.580 ( 1.604 1.966 0.646) 2.618 19.645 ( 0.561 3.209 0.431) 3.286 19.824 ( 4.364 -5.773 -2.923) 7.805 20.109 ( 6.184 -10.987 1.272) 12.672 21.022 ( -0.149 -1.335 3.292) 3.556 21.045 ( 1.244 -1.656 1.857) 2.782 21.203 ( -0.263 -1.265 -4.048) 4.249 21.285 ( 0.082 -3.310 -3.105) 4.539 21.508 ( -1.268 -0.671 -0.816) 1.650 21.545 ( 0.504 -0.707 1.434) 1.677 21.827 ( -1.052 -1.751 1.544) 2.560 21.936 ( -0.756 -1.495 1.179) 2.048 22.008 ( -0.117 -0.589 1.890) 1.983 22.062 ( 0.594 -0.658 -0.020) 0.887 22.289 ( 2.880 2.692 -0.309) 3.954 22.394 ( -2.943 2.029 -0.528) 3.614 22.468 ( -0.511 2.067 -3.732) 4.296 22.608 ( 0.663 -1.091 3.290) 3.529 22.700 ( -0.792 3.509 -1.909) 4.073 22.833 ( 0.284 -0.352 2.107) 2.155 22.960 ( -0.978 7.105 1.150) 7.264 23.188 ( 3.680 7.318 -2.568) 8.585 23.264 ( -3.422 0.114 -5.719) 6.666 23.351 ( 3.446 1.705 3.077) 4.924 23.504 ( -4.500 11.304 0.580) 12.181 23.656 ( 0.097 9.096 0.131) 9.097 23.980 ( -6.157 7.343 7.398) 12.106 24.235 ( -13.176 -1.596 -6.100) 14.607 ======================= Grid point 24 (16/75) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 8.231 17.591 3.868) 19.803 2.836 ( 9.715 17.570 0.176) 20.078 2.935 ( 7.262 17.571 -5.991) 19.934 2.996 ( -4.598 11.675 3.733) 13.091 3.027 ( 9.801 19.310 -0.049) 21.655 3.152 ( 9.299 16.586 -13.002) 23.035 3.287 ( -15.632 15.665 10.256) 24.391 3.314 ( -8.402 9.742 -4.176) 13.526 3.582 ( 2.809 2.413 8.368) 9.151 3.653 ( -2.358 11.258 4.117) 12.217 3.745 ( -2.316 0.722 -1.436) 2.820 4.016 ( 1.600 0.562 -0.692) 1.831 4.051 ( -0.238 8.972 -5.993) 10.792 4.169 ( 0.200 5.379 6.730) 8.617 4.219 ( 5.815 1.517 -7.449) 9.570 4.317 ( -2.558 -0.738 -0.313) 2.681 4.408 ( 4.547 1.529 1.543) 5.039 4.449 ( 3.006 -6.449 -0.339) 7.123 4.516 ( -1.816 1.169 4.601) 5.083 4.602 ( 1.240 3.058 -2.556) 4.174 4.812 ( 1.778 -1.303 5.152) 5.604 4.900 ( -3.711 -0.248 -0.970) 3.844 5.139 ( -2.638 0.226 -1.896) 3.256 5.208 ( -2.058 -4.470 3.244) 5.894 5.304 ( -3.343 -0.990 -1.418) 3.764 5.491 ( -3.754 -9.195 -0.268) 9.936 5.588 ( 2.945 -5.453 -1.648) 6.413 5.674 ( 3.953 -4.363 -1.779) 6.150 5.719 ( -4.165 1.009 1.525) 4.549 5.739 ( -3.550 -5.558 -1.478) 6.759 5.927 ( -0.700 -11.451 -0.695) 11.494 5.958 ( -5.235 -3.337 -1.180) 6.320 6.132 ( 0.552 -3.552 3.379) 4.933 6.253 ( -4.531 -1.844 0.489) 4.916 6.280 ( -2.968 -2.731 -7.052) 8.124 6.410 ( -3.457 -15.193 -2.484) 15.779 6.630 ( -4.556 -2.666 -0.919) 5.358 6.731 ( -2.500 -0.402 0.886) 2.683 6.865 ( 1.384 -0.025 2.842) 3.161 6.927 ( -0.363 -1.306 2.512) 2.854 7.103 ( -3.531 -15.066 2.291) 15.643 7.134 ( -6.250 -2.867 -2.740) 7.402 7.410 ( -2.811 -5.695 0.984) 6.426 7.474 ( -2.522 -4.679 -0.956) 5.401 7.657 ( 4.218 -6.551 1.053) 7.862 7.678 ( 4.789 -5.289 -0.703) 7.169 7.735 ( -5.381 -8.759 4.086) 11.063 7.830 ( -7.154 -6.040 -1.188) 9.438 8.000 ( 1.535 -4.549 -1.996) 5.200 8.053 ( -2.452 1.128 -3.081) 4.096 8.175 ( 2.085 -3.762 -0.436) 4.323 8.320 ( -4.049 1.776 -1.525) 4.677 8.512 ( -1.535 7.437 -0.270) 7.599 8.575 ( -2.088 4.261 -3.621) 5.969 8.714 ( 2.286 -0.006 2.141) 3.132 8.818 ( -2.473 -3.692 -4.372) 6.234 8.838 ( -1.991 -3.318 6.532) 7.592 8.966 ( 0.958 -3.061 -1.020) 3.366 9.055 ( -1.954 3.184 1.672) 4.093 9.105 ( -1.530 -2.322 -2.578) 3.792 9.306 ( 0.245 -0.834 -0.844) 1.212 9.333 ( -2.380 2.455 3.198) 4.682 9.341 ( 5.180 1.777 -0.882) 5.547 9.537 ( 2.050 2.502 1.114) 3.421 9.570 ( 1.887 -0.106 3.605) 4.070 9.660 ( 0.127 9.883 6.262) 11.701 9.688 ( -1.089 5.179 0.508) 5.317 9.871 ( -0.909 2.919 -0.677) 3.131 9.917 ( -2.743 -3.149 -0.263) 4.184 10.043 ( 1.212 -2.986 -1.822) 3.702 10.130 ( -4.096 -5.705 0.021) 7.023 10.288 ( 5.772 4.724 2.328) 7.813 10.388 ( 7.207 0.482 -4.174) 8.342 10.415 ( -3.497 -1.344 1.656) 4.096 10.510 ( -4.472 -5.903 2.899) 7.953 10.650 ( 0.729 -5.914 -3.033) 6.687 10.696 ( 2.212 1.706 2.246) 3.585 10.785 ( 1.557 1.152 0.432) 1.984 10.888 ( 2.608 2.674 -7.276) 8.179 10.929 ( -1.200 6.094 -0.203) 6.214 10.985 ( -4.392 5.191 3.556) 7.674 11.049 ( -3.302 0.705 -4.123) 5.329 11.253 ( 4.170 -2.952 0.289) 5.117 11.355 ( 3.469 -6.060 1.305) 7.104 11.398 ( 1.646 -8.393 -1.667) 8.714 11.472 ( 3.629 0.837 -0.695) 3.788 11.673 ( 1.370 -9.005 2.650) 9.486 11.741 ( 0.629 -9.036 0.019) 9.057 11.790 ( 5.036 2.122 5.070) 7.454 11.882 ( -0.323 0.861 -1.235) 1.539 12.032 ( -2.115 0.029 -2.647) 3.389 12.079 ( 8.867 -1.194 1.093) 9.013 12.157 ( 3.158 -3.293 0.596) 4.601 12.286 ( 1.245 -3.196 -4.005) 5.273 12.393 ( -2.172 -1.737 0.383) 2.807 12.572 ( -2.431 -2.298 0.693) 3.417 12.673 ( 2.289 -1.666 -1.995) 3.463 12.805 ( 1.152 1.782 0.441) 2.167 12.916 ( 0.708 3.086 -5.505) 6.350 12.995 ( 0.560 -1.507 4.138) 4.440 13.087 ( -5.126 -5.623 0.560) 7.630 13.194 ( 1.946 5.334 2.379) 6.156 13.353 ( 3.802 4.487 -2.622) 6.439 13.408 ( -0.335 -0.966 -0.572) 1.172 13.475 ( -1.860 3.238 1.174) 3.914 13.763 ( 5.101 -0.951 10.732) 11.921 13.886 ( 0.237 0.730 -1.865) 2.016 13.953 ( -3.029 -0.661 -7.194) 7.834 14.256 ( 1.457 2.859 -2.874) 4.307 14.306 ( 0.575 4.941 -0.195) 4.978 14.390 ( -2.469 7.992 -1.410) 8.483 14.459 ( 1.015 -0.807 1.413) 1.917 14.560 ( -1.470 5.364 -1.657) 5.804 14.669 ( 1.660 -4.382 2.978) 5.552 14.849 ( 5.547 -2.559 1.645) 6.326 14.873 ( 1.636 4.623 0.002) 4.903 15.005 ( -4.725 -0.663 -2.834) 5.549 15.208 ( 0.644 -1.602 2.247) 2.834 15.287 ( -1.432 2.613 0.320) 2.997 15.508 ( 1.362 5.486 -0.042) 5.653 15.595 ( 0.441 3.980 -0.013) 4.004 15.652 ( -2.316 2.119 0.950) 3.280 15.749 ( -0.362 -2.381 1.015) 2.613 15.801 ( 1.184 -1.294 5.240) 5.526 15.865 ( 0.763 1.912 -0.617) 2.149 15.879 ( -0.609 2.172 -3.783) 4.404 15.954 ( 1.951 -2.297 2.735) 4.070 16.015 ( 2.051 1.614 1.771) 3.154 16.058 ( 0.702 5.003 -1.797) 5.362 16.087 ( -0.449 -1.484 -4.382) 4.648 16.322 ( 2.759 -2.572 3.615) 5.225 16.401 ( -2.153 -2.595 2.327) 4.097 16.493 ( 1.987 5.084 -0.847) 5.524 16.561 ( -2.126 4.670 -4.520) 6.837 16.674 ( 1.822 0.146 -1.696) 2.494 16.742 ( -1.754 5.435 -1.031) 5.804 16.889 ( 0.432 0.794 0.915) 1.286 16.991 ( 0.663 -2.499 0.343) 2.608 17.050 ( -0.720 -3.587 -1.413) 3.922 17.052 ( -0.957 0.657 -2.008) 2.319 17.153 ( -1.880 0.794 2.707) 3.390 17.292 ( 0.330 -0.109 -0.462) 0.578 17.359 ( 2.630 3.662 0.453) 4.531 17.410 ( -2.429 1.693 0.580) 3.017 17.488 ( 0.822 -0.862 0.338) 1.239 17.514 ( -1.197 -1.316 -0.498) 1.848 17.640 ( 0.707 2.098 0.326) 2.237 17.860 ( -0.264 -1.079 0.689) 1.307 18.430 ( 0.584 0.331 0.014) 0.672 18.468 ( 0.206 -0.552 -0.107) 0.599 18.593 ( 0.023 -0.223 0.192) 0.295 18.670 ( -0.450 -0.513 -0.121) 0.693 19.601 ( 0.478 3.321 -0.152) 3.359 19.666 ( 0.692 2.787 0.910) 3.012 19.851 ( 1.362 -5.691 -1.784) 6.117 20.210 ( 3.119 -14.255 0.875) 14.618 21.043 ( -1.045 -1.296 4.167) 4.487 21.066 ( 1.273 -2.467 -3.386) 4.378 21.195 ( 0.603 -1.815 2.618) 3.242 21.247 ( -0.650 -3.790 -4.391) 5.837 21.468 ( -1.055 0.221 -0.892) 1.399 21.582 ( 0.888 -0.852 1.338) 1.818 21.816 ( -0.604 -1.370 0.235) 1.515 21.930 ( -0.591 -2.395 0.476) 2.512 22.034 ( 1.146 1.564 0.477) 1.997 22.085 ( 0.217 -0.592 1.620) 1.738 22.332 ( 1.271 3.673 -0.160) 3.890 22.358 ( -0.134 1.892 0.587) 1.985 22.414 ( -1.733 2.070 -2.522) 3.694 22.596 ( -1.865 2.220 0.716) 2.987 22.713 ( 2.224 2.856 -1.100) 3.783 22.835 ( -1.677 -2.825 0.739) 3.367 22.962 ( 0.330 5.669 0.418) 5.694 23.152 ( -2.436 1.358 -2.259) 3.589 23.224 ( 2.299 7.660 -1.856) 8.210 23.409 ( -1.460 8.336 0.156) 8.464 23.538 ( 6.502 1.838 4.862) 8.324 23.655 ( -1.602 3.560 -0.460) 3.931 23.934 ( -3.648 8.598 3.153) 9.858 23.973 ( -8.294 6.207 -4.620) 11.343 ======================= Grid point 28 (17/75) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 0.000 16.240 0.000) 16.240 2.701 ( 0.000 4.878 0.000) 4.878 2.828 ( 0.000 23.311 0.000) 23.311 3.033 ( 0.000 11.190 0.000) 11.190 3.167 ( 0.000 -3.298 0.000) 3.298 3.220 ( 0.000 -10.176 0.000) 10.176 3.321 ( 0.000 7.198 0.000) 7.198 3.382 ( 0.000 -2.696 0.000) 2.696 3.637 ( 0.000 5.633 0.000) 5.633 3.699 ( 0.000 0.995 0.000) 0.995 3.785 ( 0.000 -0.312 0.000) 0.312 3.810 ( 0.000 -0.920 0.000) 0.920 4.057 ( 0.000 -0.663 0.000) 0.663 4.199 ( 0.000 -10.898 0.000) 10.898 4.349 ( 0.000 1.541 0.000) 1.541 4.360 ( 0.000 0.614 0.000) 0.614 4.431 ( 0.000 1.530 0.000) 1.530 4.466 ( 0.000 -3.550 0.000) 3.550 4.634 ( 0.000 0.570 0.000) 0.570 4.697 ( 0.000 -6.687 0.000) 6.687 4.845 ( 0.000 3.529 0.000) 3.529 4.927 ( 0.000 -3.991 0.000) 3.991 5.028 ( 0.000 3.395 0.000) 3.395 5.064 ( 0.000 -1.549 0.000) 1.549 5.246 ( 0.000 6.987 0.000) 6.987 5.462 ( 0.000 -10.381 0.000) 10.381 5.777 ( 0.000 6.211 0.000) 6.211 5.900 ( 0.000 -4.807 0.000) 4.807 6.011 ( 0.000 6.840 0.000) 6.840 6.054 ( 0.000 11.546 0.000) 11.546 6.056 ( 0.000 4.845 0.000) 4.845 6.251 ( 0.000 -1.884 0.000) 1.884 6.271 ( 0.000 -9.057 0.000) 9.057 6.275 ( 0.000 -4.828 0.000) 4.828 6.508 ( 0.000 1.434 0.000) 1.434 6.616 ( 0.000 -10.038 0.000) 10.038 6.796 ( 0.000 8.958 0.000) 8.958 6.864 ( 0.000 6.049 0.000) 6.049 6.976 ( 0.000 -2.050 0.000) 2.050 7.080 ( 0.000 -14.965 0.000) 14.965 7.180 ( 0.000 5.883 0.000) 5.883 7.249 ( 0.000 -3.415 0.000) 3.415 7.266 ( 0.000 -5.607 0.000) 5.607 7.350 ( 0.000 -9.117 0.000) 9.117 7.798 ( 0.000 2.583 0.000) 2.583 7.909 ( 0.000 5.155 0.000) 5.155 7.950 ( 0.000 -8.357 0.000) 8.357 8.003 ( 0.000 -6.532 0.000) 6.532 8.046 ( 0.000 5.789 0.000) 5.789 8.160 ( 0.000 -4.389 0.000) 4.389 8.289 ( 0.000 3.695 0.000) 3.695 8.301 ( 0.000 1.660 0.000) 1.660 8.471 ( 0.000 3.455 0.000) 3.455 8.510 ( 0.000 -1.380 0.000) 1.380 8.725 ( 0.000 2.308 0.000) 2.308 8.739 ( 0.000 4.411 0.000) 4.411 8.940 ( 0.000 6.372 0.000) 6.372 8.962 ( 0.000 -5.905 0.000) 5.905 9.033 ( 0.000 -8.121 0.000) 8.121 9.115 ( 0.000 -8.135 0.000) 8.135 9.375 ( 0.000 5.832 0.000) 5.832 9.381 ( 0.000 1.621 0.000) 1.621 9.428 ( 0.000 -1.839 0.000) 1.839 9.523 ( 0.000 -4.904 0.000) 4.904 9.639 ( 0.000 5.657 0.000) 5.657 9.676 ( 0.000 3.805 0.000) 3.805 9.911 ( 0.000 -3.077 0.000) 3.077 9.935 ( 0.000 -1.601 0.000) 1.601 9.974 ( 0.000 -0.850 0.000) 0.850 10.007 ( 0.000 -6.159 0.000) 6.159 10.067 ( 0.000 1.942 0.000) 1.942 10.183 ( 0.000 -5.935 0.000) 5.935 10.364 ( 0.000 0.642 0.000) 0.642 10.448 ( 0.000 -5.571 0.000) 5.571 10.490 ( 0.000 -0.097 0.000) 0.097 10.514 ( 0.000 0.273 0.000) 0.273 10.631 ( 0.000 -1.155 0.000) 1.155 10.652 ( 0.000 1.383 0.000) 1.383 10.812 ( 0.000 -0.149 0.000) 0.149 10.854 ( 0.000 -2.702 0.000) 2.702 10.959 ( 0.000 1.148 0.000) 1.148 10.965 ( 0.000 -0.168 0.000) 0.168 11.064 ( 0.000 10.686 0.000) 10.686 11.200 ( 0.000 4.929 0.000) 4.929 11.270 ( 0.000 -0.236 0.000) 0.236 11.274 ( 0.000 -7.106 0.000) 7.106 11.303 ( 0.000 -5.779 0.000) 5.779 11.334 ( 0.000 -4.759 0.000) 4.759 11.730 ( 0.000 1.210 0.000) 1.210 11.733 ( 0.000 2.761 0.000) 2.761 11.769 ( 0.000 2.082 0.000) 2.082 11.799 ( 0.000 -3.256 0.000) 3.256 12.204 ( 0.000 3.713 0.000) 3.713 12.265 ( 0.000 0.738 0.000) 0.738 12.266 ( 0.000 -1.699 0.000) 1.699 12.321 ( 0.000 -4.785 0.000) 4.785 12.591 ( 0.000 5.249 0.000) 5.249 12.678 ( 0.000 -2.690 0.000) 2.690 12.985 ( 0.000 -0.030 0.000) 0.030 13.011 ( 0.000 -2.177 0.000) 2.177 13.172 ( 0.000 2.402 0.000) 2.402 13.215 ( 0.000 -1.589 0.000) 1.589 13.305 ( 0.000 3.339 0.000) 3.339 13.367 ( 0.000 -2.647 0.000) 2.647 13.597 ( 0.000 7.452 0.000) 7.452 13.690 ( 0.000 -0.969 0.000) 0.969 13.907 ( 0.000 -4.419 0.000) 4.419 13.927 ( 0.000 -5.274 0.000) 5.274 14.219 ( 0.000 5.465 0.000) 5.465 14.295 ( 0.000 -2.049 0.000) 2.049 14.314 ( 0.000 4.226 0.000) 4.226 14.413 ( 0.000 -4.621 0.000) 4.621 14.673 ( 0.000 7.889 0.000) 7.889 14.793 ( 0.000 -3.323 0.000) 3.323 14.866 ( 0.000 6.609 0.000) 6.609 14.946 ( 0.000 -1.654 0.000) 1.654 15.088 ( 0.000 2.735 0.000) 2.735 15.178 ( 0.000 -5.494 0.000) 5.494 15.254 ( 0.000 4.575 0.000) 4.575 15.355 ( 0.000 -4.087 0.000) 4.087 15.622 ( 0.000 3.887 0.000) 3.887 15.693 ( 0.000 -2.658 0.000) 2.658 15.694 ( 0.000 7.098 0.000) 7.098 15.784 ( 0.000 -1.509 0.000) 1.509 15.830 ( 0.000 0.273 0.000) 0.273 15.832 ( 0.000 0.479 0.000) 0.479 15.947 ( 0.000 2.797 0.000) 2.797 15.971 ( 0.000 2.122 0.000) 2.122 16.126 ( 0.000 5.135 0.000) 5.135 16.137 ( 0.000 3.944 0.000) 3.944 16.263 ( 0.000 -4.907 0.000) 4.907 16.295 ( 0.000 -7.207 0.000) 7.207 16.575 ( 0.000 5.466 0.000) 5.466 16.592 ( 0.000 6.245 0.000) 6.245 16.689 ( 0.000 -4.485 0.000) 4.485 16.711 ( 0.000 -3.612 0.000) 3.612 16.942 ( 0.000 1.728 0.000) 1.728 16.958 ( 0.000 0.831 0.000) 0.831 17.137 ( 0.000 1.654 0.000) 1.654 17.179 ( 0.000 -0.621 0.000) 0.621 17.212 ( 0.000 -0.041 0.000) 0.041 17.227 ( 0.000 0.407 0.000) 0.407 17.335 ( 0.000 -2.084 0.000) 2.084 17.337 ( 0.000 -2.142 0.000) 2.142 17.525 ( 0.000 3.599 0.000) 3.599 17.589 ( 0.000 -2.679 0.000) 2.679 17.736 ( 0.000 2.152 0.000) 2.152 17.765 ( 0.000 -0.226 0.000) 0.226 18.389 ( 0.000 0.783 0.000) 0.783 18.415 ( 0.000 -1.528 0.000) 1.528 18.615 ( 0.000 2.500 0.000) 2.500 18.679 ( 0.000 -3.252 0.000) 3.252 19.572 ( 0.000 2.463 0.000) 2.463 19.636 ( 0.000 -3.552 0.000) 3.552 19.707 ( 0.000 4.279 0.000) 4.279 19.813 ( 0.000 -5.818 0.000) 5.818 20.990 ( 0.000 0.569 0.000) 0.569 20.998 ( 0.000 -0.354 0.000) 0.354 21.253 ( 0.000 1.212 0.000) 1.212 21.291 ( 0.000 -2.035 0.000) 2.035 21.470 ( 0.000 1.424 0.000) 1.424 21.529 ( 0.000 -3.831 0.000) 3.831 21.852 ( 0.000 4.737 0.000) 4.737 21.928 ( 0.000 -1.002 0.000) 1.002 22.017 ( 0.000 -2.619 0.000) 2.619 22.019 ( 0.000 -1.773 0.000) 1.773 22.278 ( 0.000 -0.547 0.000) 0.547 22.279 ( 0.000 -0.523 0.000) 0.523 22.595 ( 0.000 0.183 0.000) 0.183 22.595 ( 0.000 0.186 0.000) 0.186 22.708 ( 0.000 4.615 0.000) 4.615 22.794 ( 0.000 -3.554 0.000) 3.554 23.230 ( 0.000 5.709 0.000) 5.709 23.248 ( 0.000 2.494 0.000) 2.494 23.267 ( 0.000 6.484 0.000) 6.484 23.412 ( 0.000 -5.587 0.000) 5.587 23.817 ( 0.000 3.706 0.000) 3.706 23.821 ( 0.000 4.551 0.000) 4.551 24.163 ( 0.000 9.429 0.000) 9.429 24.384 ( 0.000 -10.906 0.000) 10.906 ======================= Grid point 29 (18/75) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 8.547 14.662 -0.389) 16.976 2.742 ( 5.046 8.155 -0.828) 9.626 2.880 ( 4.681 17.501 1.609) 18.188 3.086 ( 5.069 6.810 2.385) 8.818 3.211 ( 1.319 -0.351 0.938) 1.656 3.291 ( 7.058 -4.826 -0.921) 8.600 3.376 ( 3.577 2.456 0.882) 4.428 3.397 ( 7.565 2.817 -1.728) 8.255 3.605 ( -3.073 10.203 0.714) 10.679 3.780 ( 3.977 -1.095 6.560) 7.749 3.806 ( 0.876 -0.070 1.316) 1.582 3.866 ( 6.055 -0.842 1.434) 6.280 4.031 ( -4.383 -0.485 3.297) 5.505 4.165 ( -3.728 -11.085 -1.627) 11.807 4.284 ( -1.742 2.352 -7.353) 7.914 4.333 ( 0.951 -2.196 -5.883) 6.351 4.423 ( -2.701 3.933 4.336) 6.447 4.488 ( -5.133 0.076 5.139) 7.264 4.623 ( -0.859 -1.040 2.836) 3.140 4.691 ( 3.253 -4.768 -9.011) 10.701 4.777 ( -4.542 1.004 3.778) 5.993 4.849 ( -7.037 -4.885 2.242) 8.855 5.023 ( -1.968 6.706 1.912) 7.245 5.139 ( 5.407 -5.529 -0.050) 7.733 5.241 ( -0.388 4.927 0.165) 4.945 5.411 ( -6.649 -8.262 0.284) 10.609 5.718 ( 2.075 2.364 -11.000) 11.441 5.804 ( -1.192 -5.244 -12.703) 13.794 5.907 ( -8.572 6.660 -0.595) 10.871 5.986 ( -3.582 1.646 -7.386) 8.372 6.023 ( -4.713 5.837 -1.783) 7.711 6.214 ( -3.884 -6.206 -0.761) 7.360 6.312 ( 0.476 3.798 1.986) 4.312 6.352 ( -2.836 2.335 11.126) 11.717 6.478 ( -1.613 0.332 0.676) 1.780 6.573 ( -6.253 0.775 -3.934) 7.428 6.662 ( -4.628 -7.840 -1.618) 9.246 6.850 ( -9.721 -10.727 3.213) 14.829 7.013 ( -3.093 -0.967 5.763) 6.611 7.053 ( -5.541 -2.587 12.239) 13.682 7.120 ( -0.123 3.250 -4.608) 5.640 7.194 ( -6.004 -1.524 -2.000) 6.509 7.307 ( -3.304 -3.480 0.769) 4.860 7.331 ( 3.092 -5.179 -0.002) 6.032 7.737 ( -13.659 3.739 -1.457) 14.236 7.771 ( -1.138 1.101 -5.311) 5.542 7.842 ( -9.455 -2.380 -2.757) 10.133 7.959 ( -5.253 -5.486 1.722) 7.788 8.010 ( -0.258 0.692 0.151) 0.754 8.148 ( 0.657 -7.964 3.139) 8.585 8.296 ( 0.253 7.955 3.775) 8.809 8.398 ( 4.286 -0.335 2.074) 4.773 8.545 ( 5.254 4.819 3.640) 8.004 8.637 ( 3.170 -1.565 1.036) 3.684 8.725 ( -0.686 4.470 0.202) 4.527 8.744 ( -1.910 0.719 2.705) 3.389 8.837 ( -6.499 -0.517 -3.762) 7.527 8.905 ( -3.618 -2.080 -3.485) 5.437 8.973 ( -4.262 -3.131 2.067) 5.679 9.106 ( -0.981 -9.672 -3.228) 10.244 9.290 ( -0.286 -0.821 -0.667) 1.096 9.325 ( 0.160 -2.994 0.440) 3.031 9.500 ( 2.983 3.630 -0.239) 4.704 9.535 ( -1.600 0.411 0.723) 1.803 9.634 ( 0.280 7.257 -5.468) 9.091 9.705 ( -0.071 2.899 1.322) 3.187 9.879 ( -4.711 0.945 3.773) 6.110 9.945 ( -3.689 -2.646 -4.469) 6.370 10.017 ( -1.384 -2.185 9.212) 9.568 10.054 ( 3.912 -2.552 2.816) 5.453 10.097 ( 3.550 3.017 -1.946) 5.049 10.202 ( 2.880 -4.508 -3.327) 6.300 10.294 ( -7.363 -0.604 -1.190) 7.483 10.344 ( 0.591 -1.266 1.367) 1.955 10.455 ( -6.191 -0.633 -0.843) 6.280 10.480 ( 1.592 -2.496 1.686) 3.407 10.650 ( 5.261 0.428 0.040) 5.278 10.709 ( -2.033 -3.191 1.417) 4.041 10.811 ( 9.805 -0.022 -0.881) 9.844 10.852 ( 1.380 -2.678 0.739) 3.102 11.009 ( -3.976 6.838 -0.703) 7.941 11.082 ( 7.120 1.277 -0.805) 7.279 11.119 ( 6.987 -1.828 -0.356) 7.231 11.178 ( -2.237 -4.412 -5.409) 7.329 11.255 ( 2.420 1.104 -4.691) 5.393 11.292 ( 5.649 0.225 -1.255) 5.791 11.366 ( 6.330 -1.783 3.754) 7.572 11.423 ( 7.817 -4.804 2.583) 9.532 11.705 ( -0.278 1.028 5.077) 5.188 11.737 ( -1.593 -0.071 4.822) 5.079 11.873 ( 6.626 7.308 -0.767) 9.894 11.991 ( 10.623 -4.478 -0.796) 11.555 12.058 ( 0.789 0.763 -9.964) 10.025 12.109 ( -3.400 -3.969 -4.999) 7.232 12.394 ( 4.705 1.981 -0.175) 5.108 12.462 ( 6.186 -3.860 -0.629) 7.319 12.622 ( 0.901 5.365 4.820) 7.268 12.710 ( 1.213 -2.754 4.664) 5.550 12.965 ( -1.534 1.744 0.010) 2.323 13.018 ( 0.515 -2.619 0.109) 2.671 13.137 ( -3.341 1.837 0.555) 3.853 13.170 ( -3.746 -1.157 0.104) 3.922 13.347 ( 3.280 0.877 0.779) 3.483 13.369 ( 1.880 -0.388 -0.710) 2.047 13.621 ( 1.001 6.087 0.759) 6.215 13.659 ( -3.665 2.131 0.093) 4.240 13.883 ( -3.185 -3.874 -0.601) 5.051 13.911 ( 1.428 -6.533 -1.645) 6.887 14.248 ( 4.018 4.910 -1.889) 6.619 14.308 ( 2.884 -0.974 0.205) 3.051 14.392 ( 4.173 2.432 1.288) 4.999 14.447 ( 3.009 -2.713 0.683) 4.108 14.650 ( -0.172 5.787 -1.659) 6.023 14.758 ( -2.338 -3.814 -3.210) 5.506 14.833 ( -0.978 5.479 -3.986) 6.845 14.911 ( -2.632 -1.182 -3.254) 4.349 15.080 ( -1.512 6.654 3.287) 7.574 15.192 ( -2.174 -2.350 5.880) 6.694 15.304 ( 4.255 -0.942 2.950) 5.262 15.345 ( -0.087 -3.395 -0.529) 3.437 15.667 ( 0.588 2.672 2.087) 3.441 15.673 ( 1.425 4.906 -0.507) 5.133 15.723 ( 0.059 -1.448 2.254) 2.680 15.759 ( -1.230 -1.957 -0.779) 2.439 15.830 ( 0.126 1.824 -0.354) 1.862 15.859 ( 1.604 -0.305 -0.241) 1.651 15.952 ( 1.850 3.154 -0.652) 3.714 15.995 ( 2.367 -0.136 -2.013) 3.110 16.067 ( -3.319 5.719 3.271) 7.377 16.193 ( -2.381 -3.948 3.059) 5.533 16.219 ( 0.657 4.222 0.640) 4.321 16.351 ( 3.444 -5.664 -1.413) 6.778 16.579 ( 1.485 3.359 -1.270) 3.886 16.595 ( 2.052 5.422 -4.132) 7.119 16.671 ( -0.672 -1.696 0.571) 1.911 16.745 ( 4.041 -4.941 -2.742) 6.947 16.937 ( -0.855 2.112 0.463) 2.325 16.957 ( 0.009 0.707 -0.696) 0.992 17.101 ( -2.934 1.142 -0.247) 3.158 17.148 ( -3.450 -2.679 -0.598) 4.409 17.200 ( -0.653 3.036 1.240) 3.344 17.247 ( 1.558 -1.148 -0.451) 1.987 17.350 ( 0.797 -0.032 2.358) 2.490 17.383 ( 2.788 -2.993 2.016) 4.561 17.507 ( -1.111 2.580 -1.244) 3.072 17.549 ( -2.592 -1.656 -2.500) 3.964 17.719 ( -0.962 4.394 0.786) 4.566 17.795 ( 0.718 -2.436 1.707) 3.060 18.398 ( 0.919 0.705 0.063) 1.161 18.423 ( 0.770 -1.470 -0.089) 1.662 18.614 ( -0.016 2.407 -0.008) 2.408 18.672 ( -0.541 -2.744 -0.174) 2.802 19.587 ( 1.383 2.522 0.477) 2.916 19.652 ( 1.674 -3.341 -0.078) 3.738 19.728 ( 2.282 4.122 -0.303) 4.721 19.843 ( 2.992 -6.481 0.127) 7.139 20.993 ( 0.149 0.453 0.515) 0.702 21.005 ( 0.122 -0.647 1.132) 1.310 21.237 ( -0.228 1.097 -2.765) 2.983 21.272 ( -0.879 -1.957 -2.182) 3.060 21.485 ( 0.827 1.014 1.371) 1.895 21.527 ( 0.058 -2.700 -0.720) 2.795 21.836 ( -2.096 2.910 1.910) 4.064 21.905 ( -2.388 -3.037 0.010) 3.863 22.005 ( 0.378 0.920 0.267) 1.029 22.038 ( 0.173 -1.702 0.748) 1.867 22.290 ( 2.837 2.030 -0.379) 3.508 22.344 ( 4.307 -3.044 0.818) 5.337 22.558 ( -1.530 1.820 -2.177) 3.224 22.581 ( -1.325 -0.386 -0.576) 1.496 22.741 ( 0.285 2.879 3.916) 4.869 22.802 ( -0.314 -2.658 1.613) 3.125 23.169 ( -2.384 7.115 -4.352) 8.674 23.246 ( 1.170 0.834 -3.505) 3.788 23.311 ( 1.675 3.340 2.650) 4.581 23.370 ( -2.650 -3.091 -1.490) 4.335 23.780 ( -3.660 6.236 1.123) 7.318 23.820 ( -2.926 2.919 3.008) 5.112 24.143 ( -2.577 7.528 0.959) 8.015 24.322 ( -5.307 -8.854 -2.426) 10.603 ======================= Grid point 30 (19/75) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 7.859 13.288 0.157) 15.439 2.876 ( 13.258 9.914 -0.338) 16.559 3.040 ( 11.132 9.085 1.927) 14.498 3.159 ( 1.552 -2.738 -1.755) 3.604 3.283 ( 5.311 12.183 3.239) 13.680 3.409 ( 2.878 -1.397 2.637) 4.146 3.439 ( 8.908 9.645 -10.662) 16.913 3.541 ( 5.387 0.444 -0.361) 5.417 3.595 ( 0.432 13.465 4.625) 14.244 3.795 ( -2.542 -2.247 0.339) 3.410 3.905 ( -2.030 5.623 7.275) 9.416 4.004 ( 1.870 -4.519 -1.167) 5.028 4.042 ( 5.521 0.884 5.483) 7.831 4.074 ( 2.198 -4.909 -2.449) 5.910 4.188 ( -1.491 -0.463 -4.384) 4.654 4.290 ( -0.555 -6.830 -2.359) 7.247 4.406 ( -2.361 3.469 1.641) 4.506 4.441 ( -2.587 1.577 5.318) 6.121 4.602 ( -4.053 1.823 0.327) 4.456 4.649 ( 2.801 -0.247 -8.783) 9.222 4.750 ( -3.759 1.683 5.232) 6.658 4.830 ( -1.954 -4.698 7.773) 9.290 5.050 ( 1.018 2.688 7.562) 8.089 5.182 ( -0.113 -3.015 -3.327) 4.491 5.265 ( -6.937 -5.222 0.424) 8.693 5.279 ( 4.945 -6.965 -0.480) 8.556 5.674 ( 0.194 -1.723 -7.900) 8.088 5.677 ( -2.991 -1.314 -5.171) 6.117 5.732 ( -8.045 4.051 -4.789) 10.201 5.799 ( -7.375 -5.646 -5.066) 10.580 5.921 ( -5.298 4.707 -4.834) 8.579 6.062 ( -9.118 -3.476 -5.138) 11.028 6.165 ( -11.905 3.520 1.377) 12.490 6.336 ( -13.484 -9.363 -3.222) 16.729 6.433 ( -3.511 4.312 3.402) 6.519 6.465 ( -1.575 3.473 2.295) 4.450 6.570 ( 0.472 -1.764 -1.338) 2.264 6.762 ( -6.193 -9.992 5.394) 12.934 6.841 ( -12.705 2.869 -3.621) 13.519 6.974 ( -8.504 -6.501 -2.190) 10.926 7.117 ( -3.812 3.939 3.527) 6.518 7.167 ( -7.586 -1.922 1.025) 7.892 7.221 ( -1.506 -2.610 14.059) 14.378 7.336 ( -3.777 -7.222 3.155) 8.740 7.572 ( -4.219 1.052 -0.133) 4.350 7.627 ( -5.282 -4.320 -4.843) 8.368 7.735 ( -0.408 1.559 -5.101) 5.349 7.853 ( -4.888 -9.204 -4.770) 11.461 8.012 ( -1.319 5.242 -0.742) 5.456 8.140 ( -3.260 -5.646 -1.510) 6.692 8.320 ( -2.354 11.633 0.149) 11.869 8.457 ( -0.876 3.405 -1.921) 4.007 8.542 ( 1.833 0.881 2.856) 3.506 8.624 ( -4.350 -8.789 0.995) 9.857 8.715 ( 0.461 5.776 2.207) 6.201 8.730 ( -0.059 3.283 -0.244) 3.293 8.867 ( 1.489 -1.978 -0.893) 2.632 8.908 ( -2.506 -1.165 -0.981) 2.933 8.947 ( 8.552 -5.685 6.557) 12.184 9.022 ( -0.705 -9.602 -2.829) 10.035 9.329 ( -0.079 3.015 3.108) 4.331 9.386 ( 1.494 -0.017 -0.697) 1.649 9.410 ( -7.537 5.072 -1.848) 9.271 9.500 ( -3.416 -2.862 3.545) 5.695 9.599 ( -0.427 2.431 -3.403) 4.204 9.629 ( -3.357 -0.421 0.113) 3.385 9.837 ( -1.055 5.602 5.338) 7.810 9.912 ( -1.498 -0.570 3.548) 3.893 10.025 ( -3.549 7.098 7.401) 10.852 10.075 ( -3.114 1.701 -4.250) 5.537 10.168 ( 4.259 -0.591 2.526) 4.987 10.230 ( 2.055 -7.853 -0.534) 8.135 10.266 ( 2.923 3.054 -3.264) 5.341 10.374 ( 1.445 2.813 1.932) 3.706 10.476 ( 6.219 -2.601 1.243) 6.855 10.481 ( -1.339 -6.421 -4.084) 7.727 10.699 ( 2.626 1.195 -0.148) 2.889 10.783 ( 0.278 -4.638 -5.068) 6.875 10.878 ( 6.808 3.057 1.895) 7.700 10.936 ( 3.769 2.199 -1.427) 4.592 11.023 ( -0.044 -6.024 0.253) 6.029 11.055 ( 4.568 -4.152 1.834) 6.440 11.140 ( 2.094 1.608 -5.979) 6.536 11.223 ( 5.157 -2.260 -5.883) 8.143 11.331 ( 7.260 3.397 -3.794) 8.868 11.379 ( 2.646 -0.092 3.754) 4.594 11.504 ( -0.614 -1.490 3.892) 4.213 11.535 ( 2.793 -4.662 1.419) 5.617 11.745 ( 0.122 3.347 8.052) 8.721 11.834 ( 5.414 -3.788 7.659) 10.115 11.906 ( 1.839 5.223 -0.004) 5.537 12.003 ( 2.178 -3.259 -0.093) 3.920 12.110 ( 9.201 2.349 -10.756) 14.348 12.199 ( 8.992 -5.763 -7.835) 13.246 12.393 ( -1.047 2.441 -2.217) 3.460 12.485 ( 1.013 -5.434 -3.045) 6.311 12.696 ( 1.305 4.746 2.884) 5.705 12.783 ( 0.756 -3.311 3.263) 4.710 12.934 ( -1.279 3.369 -2.684) 4.493 13.016 ( -0.303 -3.841 -0.136) 3.855 13.106 ( -1.537 2.800 2.826) 4.265 13.147 ( 0.538 -0.453 4.866) 4.917 13.399 ( 2.098 1.852 1.135) 3.020 13.458 ( 4.037 -2.018 4.233) 6.188 13.546 ( -3.846 6.760 -4.991) 9.241 13.646 ( -0.853 1.674 1.820) 2.616 13.845 ( -0.254 -2.265 -0.303) 2.299 13.919 ( 0.723 -7.061 -1.998) 7.374 14.308 ( 4.554 3.673 -2.746) 6.463 14.365 ( 1.984 -1.292 0.562) 2.433 14.425 ( 0.764 3.850 -2.034) 4.421 14.494 ( 0.839 -1.751 -0.952) 2.162 14.656 ( 0.043 2.165 -0.928) 2.356 14.702 ( -0.832 -1.875 -1.601) 2.602 14.775 ( 0.990 6.518 -2.858) 7.186 14.871 ( 1.797 -1.971 0.156) 2.672 15.086 ( -0.895 5.998 0.979) 6.143 15.185 ( -3.652 -2.465 2.945) 5.300 15.355 ( 0.755 2.479 1.891) 3.208 15.439 ( 5.094 -4.147 6.246) 9.063 15.676 ( -0.324 0.642 1.352) 1.531 15.697 ( -0.919 3.740 0.752) 3.924 15.701 ( -2.311 -2.349 0.905) 3.417 15.750 ( -2.171 0.091 1.985) 2.944 15.845 ( 2.977 0.902 -1.301) 3.372 15.874 ( 2.330 -1.364 -2.204) 3.485 15.972 ( 0.676 3.029 -1.521) 3.456 16.016 ( 1.651 -0.185 -2.387) 2.908 16.079 ( -0.086 3.690 4.581) 5.883 16.171 ( -2.145 -4.224 5.197) 7.032 16.243 ( 1.613 6.520 -3.091) 7.394 16.366 ( -0.364 -4.332 -1.095) 4.484 16.585 ( 1.568 3.552 -2.882) 4.835 16.613 ( 3.427 -0.164 -2.309) 4.135 16.681 ( 1.170 3.071 -0.892) 3.405 16.791 ( 3.160 -4.728 -1.802) 5.966 16.912 ( -2.250 1.908 -0.219) 2.958 16.939 ( 0.014 -0.104 -3.160) 3.161 17.049 ( -3.020 0.156 0.996) 3.184 17.081 ( -3.123 -2.321 -0.109) 3.893 17.205 ( -0.068 3.438 1.142) 3.624 17.266 ( 1.154 -1.845 -0.683) 2.280 17.397 ( 1.100 2.385 3.453) 4.338 17.450 ( 2.667 -2.688 1.318) 4.010 17.473 ( -1.778 1.098 -0.240) 2.103 17.485 ( -1.646 -0.200 -1.627) 2.323 17.714 ( -0.652 4.863 0.701) 4.956 17.808 ( -0.506 -3.635 0.997) 3.803 18.418 ( 1.124 0.476 0.057) 1.222 18.437 ( 0.879 -1.275 -0.148) 1.556 18.615 ( 0.078 2.189 0.042) 2.191 18.661 ( -0.468 -1.829 -0.156) 1.894 19.626 ( 2.125 2.613 0.752) 3.451 19.688 ( 2.104 -2.219 0.539) 3.105 19.767 ( 2.424 3.630 -1.399) 4.584 19.905 ( 3.475 -8.340 -0.106) 9.035 21.007 ( 0.379 0.109 1.363) 1.419 21.021 ( 0.206 -0.997 1.563) 1.865 21.201 ( -0.585 0.787 -2.983) 3.139 21.230 ( -0.893 -1.940 -3.053) 3.725 21.505 ( -0.017 0.393 -0.746) 0.843 21.523 ( 0.793 -1.199 -0.030) 1.438 21.824 ( -1.712 1.442 2.821) 3.601 21.877 ( -1.964 -3.202 2.849) 4.715 22.025 ( 1.413 1.371 0.666) 2.078 22.049 ( 0.858 -0.792 0.307) 1.207 22.349 ( 3.365 3.016 -0.100) 4.520 22.403 ( 0.890 -1.477 0.250) 1.743 22.517 ( -0.503 2.466 -3.322) 4.168 22.567 ( 0.769 -2.306 -0.353) 2.456 22.753 ( -1.844 2.215 1.651) 3.322 22.802 ( -1.781 -2.240 2.011) 3.498 23.099 ( -1.578 5.739 -2.236) 6.358 23.195 ( -1.490 -3.376 -5.531) 6.649 23.342 ( 1.269 4.269 0.362) 4.468 23.384 ( 3.251 0.258 1.996) 3.824 23.708 ( -5.965 7.093 2.085) 9.500 23.773 ( -4.705 1.330 1.922) 5.254 24.097 ( -3.585 4.442 1.505) 5.904 24.180 ( -6.657 -3.425 -3.243) 8.159 ======================= Grid point 31 (20/75) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 5.620 12.628 0.659) 13.838 3.086 ( 5.485 1.983 -1.264) 5.968 3.187 ( 3.751 9.015 1.236) 9.842 3.245 ( 7.435 6.036 1.924) 9.768 3.349 ( -0.354 8.011 0.664) 8.046 3.388 ( 0.799 4.039 -4.747) 6.284 3.514 ( 3.598 10.019 -5.689) 12.070 3.566 ( -2.533 8.017 3.301) 9.032 3.688 ( 2.810 8.156 4.520) 9.739 3.754 ( 1.069 0.756 -0.601) 1.440 3.811 ( -6.602 4.165 1.327) 7.918 4.017 ( 0.268 -10.912 -2.531) 11.205 4.067 ( -1.699 4.665 0.619) 5.003 4.209 ( 2.993 -0.981 3.432) 4.658 4.237 ( 5.233 0.790 -3.398) 6.289 4.295 ( 4.288 -5.164 -1.097) 6.802 4.392 ( -0.420 6.067 0.170) 6.084 4.482 ( 0.897 0.177 3.114) 3.245 4.526 ( -0.697 3.982 -1.586) 4.343 4.657 ( 1.340 -2.718 -1.399) 3.338 4.783 ( 1.307 0.552 6.176) 6.337 4.845 ( -2.349 -3.896 1.907) 4.933 5.105 ( -3.426 -2.298 -0.614) 4.171 5.121 ( -0.106 -4.655 3.935) 6.097 5.215 ( 0.474 1.800 0.349) 1.894 5.383 ( 3.704 -10.540 1.708) 11.302 5.486 ( -10.646 3.292 -2.432) 11.406 5.580 ( -5.625 -4.984 -2.113) 7.807 5.642 ( 0.768 -0.930 -2.180) 2.492 5.696 ( -1.446 -6.319 1.221) 6.596 5.780 ( -2.214 0.614 -5.390) 5.859 5.859 ( -6.395 -5.950 -5.271) 10.202 6.046 ( -3.256 -0.378 3.106) 4.516 6.117 ( -5.538 -5.836 -2.120) 8.320 6.346 ( -4.465 9.508 -1.683) 10.638 6.502 ( 0.787 10.556 2.147) 10.800 6.569 ( 0.251 -8.656 -0.972) 8.714 6.601 ( -6.626 0.865 -2.632) 7.182 6.749 ( -3.337 -8.632 7.052) 11.636 6.794 ( -5.472 -12.401 -3.909) 14.107 7.057 ( -1.125 9.396 0.212) 9.466 7.133 ( -1.391 1.715 1.227) 2.526 7.245 ( -3.113 -7.436 2.388) 8.408 7.307 ( -2.502 -11.275 2.530) 11.823 7.541 ( -0.561 -2.105 1.552) 2.675 7.562 ( -0.474 -3.657 -0.670) 3.748 7.704 ( 1.184 1.010 -2.523) 2.965 7.738 ( -3.214 -2.712 -1.862) 4.599 7.955 ( -1.989 2.994 -1.961) 4.095 8.058 ( -1.879 -5.517 -2.881) 6.501 8.266 ( -0.983 12.674 -2.092) 12.883 8.443 ( -0.607 8.823 0.731) 8.874 8.545 ( -2.506 -12.387 -0.465) 12.646 8.636 ( 2.911 -0.943 0.450) 3.093 8.673 ( -2.144 -2.315 0.770) 3.248 8.701 ( -1.576 3.572 -2.589) 4.685 8.867 ( -1.209 1.689 1.573) 2.605 8.896 ( 1.813 -1.951 -2.494) 3.649 9.040 ( -0.838 -0.696 1.680) 2.002 9.089 ( 0.348 -3.516 1.142) 3.713 9.298 ( 0.985 4.074 -2.144) 4.708 9.369 ( -0.208 -0.801 0.968) 1.273 9.433 ( 2.723 4.221 6.699) 8.373 9.513 ( 0.779 -1.292 0.629) 1.635 9.636 ( 4.990 1.693 6.196) 8.134 9.674 ( 2.810 -3.605 5.882) 7.449 9.856 ( -1.747 3.285 2.158) 4.301 9.917 ( -2.513 -3.309 4.641) 6.229 9.970 ( -0.385 4.040 -9.310) 10.156 10.003 ( -4.947 11.673 -1.958) 12.828 10.162 ( -4.030 2.506 -1.705) 5.043 10.216 ( 2.037 -3.080 -4.962) 6.185 10.303 ( -1.482 -10.212 4.327) 11.189 10.417 ( 0.801 -4.343 -0.760) 4.482 10.427 ( 2.089 3.748 -0.466) 4.316 10.540 ( -0.760 -4.768 -1.378) 5.021 10.770 ( 5.397 2.360 -2.402) 6.361 10.793 ( 4.344 0.810 2.935) 5.305 10.904 ( -1.071 5.577 -0.780) 5.732 11.030 ( 2.495 -0.542 -1.360) 2.892 11.048 ( -1.843 -4.097 1.159) 4.640 11.080 ( 3.162 -1.540 -3.325) 4.840 11.183 ( 5.736 0.792 -2.526) 6.317 11.257 ( -1.673 2.077 0.824) 2.792 11.374 ( 3.709 -1.526 -3.907) 5.599 11.404 ( 0.350 2.577 1.201) 2.865 11.483 ( -4.695 -8.659 3.436) 10.432 11.542 ( -1.256 -8.022 1.422) 8.243 11.882 ( 5.121 5.571 5.277) 9.225 11.951 ( 0.438 4.654 3.540) 5.864 12.016 ( 3.520 -4.341 7.203) 9.117 12.047 ( 0.464 -5.481 1.053) 5.600 12.112 ( 4.131 3.229 -9.463) 10.819 12.187 ( -0.474 -4.533 -7.964) 9.176 12.418 ( 4.384 3.269 -0.115) 5.470 12.500 ( 1.360 -3.990 -1.362) 4.430 12.685 ( -2.494 2.566 -0.630) 3.634 12.777 ( -2.050 -5.499 0.692) 5.909 12.924 ( 3.389 3.431 -2.088) 5.255 12.990 ( -1.729 -2.091 -0.335) 2.734 13.136 ( -0.255 6.247 2.879) 6.883 13.226 ( 1.673 -1.887 3.778) 4.542 13.420 ( -0.785 3.096 0.391) 3.218 13.450 ( -1.167 2.029 -1.442) 2.750 13.535 ( 0.209 3.506 0.511) 3.549 13.668 ( 1.512 -7.202 2.011) 7.629 13.855 ( 1.224 -1.027 -0.665) 1.731 13.891 ( -1.493 -3.647 -1.434) 4.194 14.349 ( 2.591 3.248 -2.150) 4.678 14.369 ( -1.429 2.318 1.054) 2.920 14.434 ( 1.419 -0.118 -1.042) 1.764 14.466 ( -0.719 -0.336 -2.153) 2.295 14.644 ( -0.099 0.947 -0.472) 1.063 14.657 ( -1.496 1.193 -0.559) 1.993 14.860 ( 5.713 4.178 1.669) 7.272 14.941 ( 3.080 -1.176 0.364) 3.316 15.046 ( -3.498 4.766 -0.168) 5.914 15.139 ( -2.196 -4.232 0.226) 4.774 15.385 ( 0.281 7.460 1.541) 7.623 15.562 ( 3.862 -4.636 2.338) 6.471 15.641 ( -3.531 -1.253 -0.666) 3.806 15.666 ( -1.007 -1.360 0.255) 1.711 15.710 ( -0.976 2.348 2.340) 3.456 15.731 ( -0.278 -0.457 1.537) 1.627 15.894 ( 2.823 1.368 -0.493) 3.175 15.914 ( 2.560 -0.360 -0.939) 2.751 15.951 ( -1.190 1.624 -0.435) 2.060 15.994 ( -1.064 -2.264 -2.051) 3.235 16.126 ( 0.857 4.145 3.165) 5.285 16.183 ( -0.468 2.747 -0.951) 2.945 16.255 ( 2.085 -1.109 1.304) 2.697 16.327 ( -1.976 -4.071 -2.265) 5.061 16.606 ( 1.915 3.665 0.254) 4.143 16.642 ( 0.982 1.174 -1.747) 2.322 16.678 ( -0.068 3.589 -0.871) 3.694 16.820 ( 0.958 -5.504 -0.147) 5.588 16.868 ( -1.510 2.034 -0.586) 2.600 16.913 ( 0.123 -0.282 -1.873) 1.898 17.018 ( -1.218 -0.320 0.703) 1.442 17.040 ( -1.308 -2.021 -0.170) 2.413 17.213 ( 0.118 3.744 0.242) 3.754 17.276 ( 0.508 -1.831 -0.317) 1.926 17.432 ( 1.014 2.606 -0.540) 2.848 17.448 ( -2.032 1.071 2.464) 3.369 17.476 ( 1.329 -0.171 -0.184) 1.353 17.488 ( 0.370 -1.070 0.421) 1.209 17.708 ( -0.306 4.265 0.101) 4.277 17.802 ( -0.528 -4.135 0.266) 4.177 18.434 ( 0.514 0.244 0.029) 0.569 18.448 ( 0.364 -1.032 -0.069) 1.096 18.617 ( 0.054 2.005 0.031) 2.005 18.654 ( -0.160 -1.261 -0.054) 1.272 19.662 ( 1.046 2.911 0.322) 3.110 19.732 ( 1.493 -2.435 1.506) 3.229 19.776 ( 0.406 4.693 -1.980) 5.110 19.950 ( 1.483 -10.433 -0.129) 10.538 21.025 ( 0.155 -0.087 1.139) 1.152 21.036 ( 0.217 -0.917 0.578) 1.106 21.176 ( -0.241 -0.112 -0.314) 0.411 21.191 ( -0.534 -1.618 -2.515) 3.038 21.490 ( -0.188 1.848 -0.733) 1.997 21.540 ( 0.644 -2.653 0.062) 2.731 21.824 ( -0.681 1.748 1.431) 2.360 21.873 ( -0.915 -2.751 1.440) 3.237 22.062 ( 1.490 0.960 0.556) 1.858 22.075 ( 0.891 -0.453 0.975) 1.396 22.391 ( 0.639 1.740 0.175) 1.862 22.397 ( -0.420 1.228 0.605) 1.432 22.476 ( -0.350 4.158 -3.013) 5.147 22.576 ( 0.456 -4.060 -1.083) 4.227 22.744 ( 0.994 0.838 -0.582) 1.425 22.772 ( -3.005 -1.965 1.691) 3.968 23.073 ( -0.283 4.395 -0.400) 4.423 23.140 ( -0.717 -1.958 -1.436) 2.531 23.379 ( 1.942 6.048 -0.114) 6.353 23.463 ( 3.111 -1.775 0.864) 3.685 23.632 ( -3.157 5.291 1.423) 6.324 23.695 ( -4.276 -0.405 0.046) 4.296 24.056 ( -1.712 3.151 0.559) 3.630 24.067 ( -2.914 2.138 -1.304) 3.842 ======================= Grid point 63 (21/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -21.531 0.000 31.986) 38.557 0.673 ( -0.223 0.000 37.916) 37.917 1.148 ( 10.686 0.000 63.937) 64.823 1.728 ( 21.758 0.000 -33.243) 39.731 1.983 ( -0.379 0.000 -35.312) 35.314 2.824 ( -18.669 0.000 25.330) 31.466 3.133 ( 0.101 0.000 27.050) 27.050 3.212 ( -13.216 0.000 -47.643) 49.442 3.499 ( 14.888 0.000 1.239) 14.939 3.511 ( 5.965 0.000 -7.306) 9.432 3.796 ( -5.532 0.000 -0.222) 5.536 3.868 ( 1.039 0.000 -7.795) 7.864 3.952 ( 1.515 0.000 2.157) 2.636 3.993 ( -8.256 0.000 1.599) 8.409 4.101 ( -4.533 0.000 1.311) 4.719 4.292 ( 0.733 0.000 -7.515) 7.551 4.384 ( -0.958 0.000 -0.431) 1.050 4.479 ( 0.137 0.000 -6.477) 6.479 4.566 ( 6.763 0.000 16.277) 17.626 4.678 ( 10.354 0.000 3.700) 10.995 4.794 ( -1.081 0.000 1.435) 1.797 4.971 ( -4.969 0.000 -9.378) 10.613 5.214 ( 11.721 0.000 4.880) 12.696 5.241 ( -5.648 0.000 -1.908) 5.962 5.608 ( -2.944 0.000 3.669) 4.704 5.722 ( -6.231 0.000 9.747) 11.568 5.725 ( 5.317 0.000 5.808) 7.874 5.761 ( 2.506 0.000 0.305) 2.524 6.024 ( -2.484 0.000 -4.289) 4.957 6.092 ( -3.297 0.000 -0.102) 3.299 6.143 ( -3.994 0.000 -2.916) 4.945 6.176 ( 7.763 0.000 -1.235) 7.861 6.561 ( -9.411 0.000 -1.262) 9.495 6.667 ( 4.619 0.000 -11.628) 12.511 6.695 ( 18.217 0.000 8.392) 20.057 6.779 ( 1.768 0.000 5.520) 5.796 6.953 ( -7.358 0.000 0.293) 7.364 7.068 ( -11.660 0.000 -12.026) 16.750 7.384 ( 7.865 0.000 -6.350) 10.109 7.457 ( -1.849 0.000 -9.878) 10.050 7.507 ( 12.589 0.000 0.179) 12.590 7.545 ( 0.644 0.000 -1.130) 1.301 7.724 ( 3.761 0.000 7.591) 8.472 7.759 ( 0.842 0.000 0.530) 0.995 7.794 ( -8.106 0.000 7.194) 10.838 7.884 ( -4.263 0.000 1.457) 4.505 7.934 ( -4.355 0.000 4.337) 6.146 8.168 ( 3.765 0.000 5.268) 6.475 8.271 ( -5.103 0.000 -11.020) 12.144 8.345 ( 6.895 0.000 -6.200) 9.272 8.445 ( -3.445 0.000 3.852) 5.167 8.481 ( -2.327 0.000 4.899) 5.424 8.579 ( 2.555 0.000 0.808) 2.680 8.594 ( 3.284 0.000 1.231) 3.507 8.704 ( 0.560 0.000 6.980) 7.002 8.711 ( 6.499 0.000 3.188) 7.239 8.864 ( -5.016 0.000 0.160) 5.019 8.880 ( 7.559 0.000 -2.959) 8.117 9.129 ( -7.042 0.000 -2.011) 7.323 9.149 ( -11.820 0.000 -0.593) 11.834 9.308 ( 10.301 0.000 5.204) 11.541 9.443 ( -6.818 0.000 1.504) 6.982 9.629 ( 4.107 0.000 -0.681) 4.163 9.629 ( 4.283 0.000 0.981) 4.394 9.649 ( -2.922 0.000 3.932) 4.899 9.794 ( 1.990 0.000 -2.127) 2.913 9.835 ( -16.775 0.000 1.515) 16.843 10.015 ( -0.449 0.000 -6.651) 6.666 10.053 ( -0.159 0.000 2.454) 2.460 10.151 ( 5.959 0.000 -0.276) 5.966 10.242 ( -7.950 0.000 0.495) 7.965 10.277 ( -2.988 0.000 -2.387) 3.824 10.362 ( -3.747 0.000 -5.721) 6.839 10.363 ( 0.844 0.000 -6.936) 6.987 10.659 ( -3.883 0.000 -1.571) 4.189 10.692 ( 0.667 0.000 6.738) 6.770 10.724 ( 0.103 0.000 -1.532) 1.535 10.786 ( -4.346 0.000 1.003) 4.461 10.798 ( 9.857 0.000 -2.332) 10.129 10.848 ( 4.635 0.000 6.650) 8.106 10.998 ( 6.201 0.000 -5.963) 8.603 11.012 ( 2.576 0.000 0.660) 2.659 11.079 ( -0.927 0.000 4.771) 4.860 11.148 ( -10.182 0.000 -2.337) 10.446 11.325 ( -4.235 0.000 2.589) 4.964 11.496 ( 9.085 0.000 -5.003) 10.372 11.602 ( 4.262 0.000 4.073) 5.895 11.653 ( -25.454 0.000 -3.282) 25.665 11.684 ( -3.261 0.000 6.507) 7.278 11.812 ( 9.974 0.000 2.536) 10.292 11.923 ( -5.845 0.000 -2.537) 6.372 11.968 ( 6.323 0.000 -1.779) 6.568 12.345 ( -13.179 0.000 1.359) 13.249 12.414 ( -2.158 0.000 0.456) 2.205 12.434 ( -0.291 0.000 0.786) 0.838 12.502 ( 4.343 0.000 -5.103) 6.700 12.664 ( 5.480 0.000 3.570) 6.540 12.694 ( 0.522 0.000 -0.360) 0.634 12.765 ( 1.671 0.000 -1.806) 2.460 12.813 ( -8.703 0.000 -5.432) 10.259 12.864 ( 2.582 0.000 1.735) 3.111 13.008 ( -5.350 0.000 -5.008) 7.328 13.179 ( -3.773 0.000 6.633) 7.630 13.352 ( -0.700 0.000 -2.537) 2.632 13.358 ( -3.896 0.000 5.110) 6.425 13.555 ( 1.015 0.000 -3.499) 3.643 13.587 ( 10.074 0.000 10.522) 14.567 14.089 ( -7.158 0.000 0.180) 7.161 14.097 ( -0.587 0.000 -2.567) 2.633 14.109 ( -3.499 0.000 -15.007) 15.410 14.340 ( -0.955 0.000 1.597) 1.861 14.409 ( -4.499 0.000 -1.169) 4.649 14.447 ( 9.637 0.000 0.179) 9.639 14.517 ( -30.646 0.000 -1.929) 30.707 14.617 ( 2.823 0.000 1.095) 3.028 14.665 ( 0.079 0.000 -1.249) 1.252 14.862 ( -1.687 0.000 15.550) 15.641 15.136 ( 2.641 0.000 -1.417) 2.997 15.280 ( -0.357 0.000 3.519) 3.537 15.280 ( 0.073 0.000 -0.162) 0.178 15.295 ( 0.222 0.000 -1.000) 1.025 15.479 ( 8.475 0.000 -4.471) 9.581 15.615 ( -2.426 0.000 1.122) 2.673 15.628 ( 2.604 0.000 1.349) 2.932 15.678 ( 1.562 0.000 -1.361) 2.072 15.688 ( -2.235 0.000 -0.297) 2.254 15.773 ( -1.350 0.000 0.301) 1.383 15.836 ( 0.767 0.000 -1.921) 2.069 16.105 ( -1.383 0.000 0.968) 1.688 16.144 ( 0.928 0.000 -1.031) 1.387 16.214 ( -2.616 0.000 2.059) 3.329 16.264 ( -0.489 0.000 -0.280) 0.564 16.394 ( -2.984 0.000 -4.095) 5.067 16.420 ( 6.063 0.000 -5.678) 8.307 16.723 ( 5.108 0.000 5.322) 7.376 16.736 ( -8.057 0.000 6.619) 10.428 17.003 ( -0.195 0.000 0.123) 0.231 17.013 ( 2.331 0.000 0.624) 2.413 17.043 ( -0.719 0.000 -1.971) 2.098 17.088 ( 3.015 0.000 -4.302) 5.254 17.292 ( -0.855 0.000 3.087) 3.204 17.294 ( -1.992 0.000 3.676) 4.181 17.368 ( 5.300 0.000 0.219) 5.305 17.437 ( 1.122 0.000 -0.400) 1.191 17.474 ( -0.416 0.000 -2.149) 2.189 17.489 ( -2.788 0.000 -5.521) 6.185 17.966 ( -1.682 0.000 1.272) 2.109 17.968 ( 16.917 0.000 0.952) 16.943 18.351 ( 0.428 0.000 0.121) 0.445 18.356 ( -0.405 0.000 -0.108) 0.419 18.728 ( 7.890 0.000 0.635) 7.916 18.754 ( -1.363 0.000 -0.555) 1.472 19.471 ( 0.283 0.000 0.726) 0.779 19.498 ( -0.251 0.000 -0.510) 0.568 20.108 ( -27.491 0.000 3.944) 27.773 20.335 ( 5.729 0.000 -6.834) 8.918 21.103 ( -2.460 0.000 6.108) 6.585 21.283 ( 1.450 0.000 -2.737) 3.097 21.493 ( 1.934 0.000 1.857) 2.681 21.588 ( -1.918 0.000 -2.511) 3.160 21.695 ( 0.853 0.000 1.928) 2.108 21.770 ( 0.924 0.000 -0.136) 0.934 21.993 ( -0.567 0.000 -0.799) 0.980 22.019 ( 1.483 0.000 1.535) 2.135 22.062 ( 1.040 0.000 -0.244) 1.068 22.233 ( -5.178 0.000 -6.326) 8.175 22.283 ( -1.011 0.000 -0.503) 1.129 22.296 ( -0.638 0.000 -2.245) 2.334 22.430 ( 4.267 0.000 2.920) 5.170 22.469 ( -0.605 0.000 -0.163) 0.627 22.539 ( 0.948 0.000 1.423) 1.711 22.540 ( -1.218 0.000 0.650) 1.380 22.765 ( -16.022 0.000 6.286) 17.210 22.910 ( -1.235 0.000 -0.198) 1.250 22.952 ( 1.135 0.000 -1.724) 2.064 23.027 ( -2.734 0.000 -4.271) 5.071 23.057 ( -6.958 0.000 3.748) 7.903 23.174 ( 8.821 0.000 -2.402) 9.143 23.869 ( -11.905 0.000 2.003) 12.072 23.948 ( 53.198 0.000 -1.583) 53.222 ======================= Grid point 64 (22/75) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 26.202 0.000 16.847) 31.151 1.202 ( 19.165 0.000 31.750) 37.086 1.736 ( 9.034 0.000 -35.068) 36.213 1.769 ( 12.482 0.000 -33.225) 35.492 2.068 ( 24.751 0.000 56.199) 61.408 2.692 ( -9.255 0.000 3.476) 9.886 2.797 ( 10.926 0.000 -26.365) 28.540 3.383 ( 0.729 0.000 8.973) 9.002 3.447 ( -5.404 0.000 -2.781) 6.078 3.557 ( -15.717 0.000 8.062) 17.664 3.726 ( -3.954 0.000 -9.218) 10.030 3.727 ( -5.825 0.000 -8.396) 10.219 3.874 ( -11.636 0.000 2.264) 11.854 3.879 ( -0.641 0.000 5.056) 5.097 4.046 ( -0.675 0.000 9.040) 9.065 4.111 ( -13.332 0.000 -6.057) 14.644 4.274 ( -13.930 0.000 1.416) 14.002 4.276 ( 0.487 0.000 -9.108) 9.121 4.763 ( 0.210 0.000 0.402) 0.453 4.845 ( 0.407 0.000 -4.219) 4.238 4.969 ( 12.179 0.000 -0.616) 12.195 4.977 ( 14.774 0.000 2.536) 14.991 5.181 ( 2.607 0.000 -1.406) 2.962 5.365 ( -8.531 0.000 -3.202) 9.112 5.605 ( 1.791 0.000 9.151) 9.324 5.710 ( -5.601 0.000 9.848) 11.330 5.729 ( -9.732 0.000 -7.096) 12.044 5.735 ( 0.354 0.000 -2.368) 2.395 5.890 ( 4.189 0.000 5.076) 6.581 5.914 ( -11.256 0.000 4.783) 12.230 6.109 ( -8.084 0.000 1.839) 8.291 6.319 ( 5.050 0.000 -14.719) 15.562 6.435 ( -1.474 0.000 4.228) 4.478 6.579 ( -17.939 0.000 -10.039) 20.557 6.695 ( 3.652 0.000 -1.917) 4.125 6.798 ( -3.099 0.000 6.957) 7.616 6.840 ( -11.343 0.000 -5.124) 12.447 7.134 ( -13.287 0.000 4.419) 14.002 7.192 ( 15.148 0.000 7.417) 16.867 7.232 ( -6.410 0.000 -9.974) 11.856 7.533 ( -3.170 0.000 -1.001) 3.325 7.559 ( -11.489 0.000 2.320) 11.720 7.758 ( -7.258 0.000 -1.345) 7.382 7.781 ( 14.198 0.000 -8.765) 16.686 7.854 ( 2.808 0.000 5.819) 6.462 8.011 ( 5.502 0.000 10.007) 11.420 8.056 ( -3.897 0.000 -10.969) 11.640 8.060 ( 7.778 0.000 5.428) 9.484 8.228 ( -0.051 0.000 2.191) 2.192 8.411 ( 9.906 0.000 -6.550) 11.876 8.429 ( -2.058 0.000 1.465) 2.526 8.508 ( 0.891 0.000 4.561) 4.647 8.623 ( -1.380 0.000 2.431) 2.795 8.650 ( -11.168 0.000 3.204) 11.618 8.706 ( 8.717 0.000 -2.608) 9.099 8.811 ( 1.585 0.000 -4.212) 4.500 8.832 ( 3.580 0.000 -10.865) 11.439 8.914 ( -1.326 0.000 -1.642) 2.110 9.033 ( -1.846 0.000 8.388) 8.589 9.110 ( 3.606 0.000 9.320) 9.993 9.348 ( -5.075 0.000 1.723) 5.360 9.427 ( -15.411 0.000 5.085) 16.228 9.517 ( -6.088 0.000 1.651) 6.308 9.553 ( -9.904 0.000 2.086) 10.121 9.587 ( 2.283 0.000 -3.223) 3.949 9.677 ( -6.725 0.000 3.883) 7.766 9.744 ( -0.958 0.000 -1.358) 1.662 9.881 ( -4.680 0.000 -3.407) 5.789 10.131 ( 1.233 0.000 3.768) 3.965 10.134 ( -7.526 0.000 -1.222) 7.625 10.178 ( -0.158 0.000 -2.970) 2.975 10.210 ( 2.742 0.000 4.797) 5.526 10.415 ( 4.443 0.000 1.947) 4.850 10.424 ( 6.775 0.000 -2.234) 7.134 10.545 ( -7.060 0.000 -0.248) 7.064 10.678 ( -4.632 0.000 -1.974) 5.035 10.696 ( -2.363 0.000 0.508) 2.417 10.718 ( -4.067 0.000 1.936) 4.504 10.787 ( -7.163 0.000 -0.079) 7.163 10.909 ( -0.051 0.000 -5.952) 5.952 11.008 ( 0.602 0.000 7.890) 7.913 11.090 ( 2.106 0.000 -8.073) 8.343 11.102 ( -0.647 0.000 -1.585) 1.712 11.147 ( 3.920 0.000 4.137) 5.700 11.293 ( 6.049 0.000 -1.405) 6.210 11.409 ( 2.520 0.000 -4.042) 4.764 11.594 ( 5.015 0.000 3.624) 6.187 11.742 ( -3.622 0.000 8.362) 9.113 11.772 ( 9.180 0.000 1.691) 9.334 11.969 ( 14.174 0.000 1.327) 14.236 12.033 ( 0.566 0.000 0.504) 0.757 12.136 ( 15.766 0.000 -3.848) 16.229 12.314 ( 7.192 0.000 0.898) 7.248 12.391 ( 0.503 0.000 -2.003) 2.066 12.457 ( 0.369 0.000 2.977) 2.999 12.582 ( 6.204 0.000 0.308) 6.212 12.655 ( -0.048 0.000 -2.821) 2.822 12.689 ( -1.077 0.000 -0.605) 1.235 12.741 ( -1.194 0.000 -2.239) 2.537 12.862 ( 9.704 0.000 2.845) 10.113 12.926 ( 0.452 0.000 -6.561) 6.577 12.966 ( 5.888 0.000 3.962) 7.097 13.215 ( 1.479 0.000 7.088) 7.241 13.268 ( -6.258 0.000 -4.636) 7.788 13.434 ( 3.386 0.000 4.953) 6.000 13.557 ( 3.142 0.000 -3.408) 4.635 13.790 ( 2.803 0.000 8.184) 8.651 13.846 ( -6.075 0.000 -16.283) 17.380 14.013 ( -2.812 0.000 3.872) 4.785 14.037 ( -5.311 0.000 -0.693) 5.356 14.334 ( -0.359 0.000 -2.680) 2.704 14.365 ( -1.372 0.000 0.984) 1.689 14.437 ( 2.277 0.000 2.498) 3.381 14.690 ( 4.754 0.000 0.215) 4.758 14.691 ( 4.985 0.000 -2.513) 5.583 14.745 ( 15.213 0.000 10.162) 18.295 14.973 ( 1.166 0.000 10.190) 10.257 15.137 ( 0.765 0.000 -3.932) 4.005 15.277 ( -0.776 0.000 0.578) 0.968 15.290 ( 1.247 0.000 0.213) 1.265 15.341 ( 3.308 0.000 2.898) 4.398 15.590 ( 9.095 0.000 -8.026) 12.130 15.614 ( 2.090 0.000 1.153) 2.386 15.636 ( -2.066 0.000 -1.048) 2.317 15.674 ( 1.104 0.000 -1.499) 1.862 15.720 ( 3.688 0.000 -0.531) 3.726 15.746 ( -2.281 0.000 2.603) 3.461 15.845 ( 2.360 0.000 -1.312) 2.700 16.087 ( -1.390 0.000 -0.627) 1.525 16.118 ( -2.985 0.000 0.479) 3.023 16.183 ( -2.007 0.000 0.608) 2.097 16.276 ( 0.296 0.000 3.501) 3.513 16.324 ( -1.856 0.000 -1.588) 2.442 16.468 ( 5.210 0.000 -6.066) 7.996 16.665 ( -3.909 0.000 1.401) 4.152 16.847 ( 2.286 0.000 5.220) 5.699 16.932 ( -5.396 0.000 -1.247) 5.538 16.990 ( -4.264 0.000 -0.155) 4.267 17.061 ( 3.653 0.000 0.070) 3.654 17.173 ( 8.929 0.000 -4.808) 10.142 17.319 ( 0.583 0.000 1.721) 1.817 17.333 ( -2.140 0.000 4.368) 4.864 17.394 ( -0.075 0.000 0.178) 0.193 17.418 ( 1.642 0.000 -4.450) 4.743 17.457 ( 1.540 0.000 0.251) 1.561 17.503 ( 5.496 0.000 -1.936) 5.827 17.859 ( -8.892 0.000 -2.746) 9.307 18.031 ( -1.899 0.000 -2.604) 3.223 18.347 ( -0.315 0.000 -0.270) 0.415 18.365 ( 0.803 0.000 0.225) 0.834 18.718 ( -0.990 0.000 -1.808) 2.061 18.783 ( -0.891 0.000 -0.167) 0.906 19.477 ( -0.676 0.000 0.553) 0.873 19.498 ( 1.670 0.000 -1.424) 2.195 20.024 ( 1.348 0.000 5.755) 5.911 20.473 ( 13.307 0.000 -0.661) 13.323 21.122 ( -1.532 0.000 6.909) 7.076 21.306 ( 3.780 0.000 -2.964) 4.803 21.527 ( -1.522 0.000 -3.778) 4.073 21.559 ( 2.342 0.000 2.976) 3.787 21.747 ( 2.294 0.000 2.318) 3.262 21.757 ( 0.160 0.000 -3.173) 3.177 21.972 ( -1.553 0.000 1.461) 2.132 22.011 ( -2.196 0.000 -2.851) 3.599 22.079 ( -6.465 0.000 -3.660) 7.429 22.120 ( 1.596 0.000 6.421) 6.617 22.227 ( -7.377 0.000 5.660) 9.298 22.264 ( -0.188 0.000 -1.161) 1.176 22.390 ( -7.188 0.000 -2.076) 7.482 22.426 ( -4.561 0.000 5.567) 7.196 22.516 ( -1.413 0.000 -1.975) 2.428 22.529 ( -0.050 0.000 2.002) 2.003 22.730 ( -1.439 0.000 4.478) 4.704 22.882 ( -1.266 0.000 -0.495) 1.359 22.946 ( -2.559 0.000 -2.821) 3.809 22.959 ( 0.630 0.000 -0.390) 0.741 23.084 ( 4.223 0.000 2.677) 5.000 23.303 ( 5.232 0.000 3.408) 6.244 23.541 ( -16.700 0.000 -12.040) 20.588 24.246 ( 1.454 0.000 -9.603) 9.713 ======================= Grid point 65 (23/75) ======================= q-point: ( 0.29 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 12.568 0.000 -31.326) 33.753 1.577 ( 37.878 0.000 11.014) 39.447 1.833 ( 24.226 0.000 -24.821) 34.684 1.854 ( 23.037 0.000 25.896) 34.660 2.727 ( 0.064 0.000 13.366) 13.366 2.933 ( 27.880 0.000 -28.076) 39.567 2.941 ( 15.844 0.000 34.456) 37.924 2.992 ( -13.891 0.000 -15.651) 20.927 3.244 ( -25.457 0.000 11.590) 27.971 3.399 ( -20.610 0.000 -8.346) 22.236 3.414 ( -21.953 0.000 9.951) 24.103 3.632 ( -2.069 0.000 8.728) 8.970 3.754 ( -1.883 0.000 -1.632) 2.492 3.791 ( 2.409 0.000 -19.717) 19.864 4.028 ( -10.955 0.000 8.861) 14.090 4.080 ( 2.309 0.000 9.079) 9.368 4.238 ( 0.850 0.000 -1.365) 1.608 4.255 ( 5.789 0.000 2.520) 6.314 4.679 ( -7.847 0.000 -8.599) 11.641 4.752 ( -2.052 0.000 -5.996) 6.338 4.894 ( -21.565 0.000 -4.132) 21.957 5.049 ( 4.085 0.000 -7.240) 8.313 5.183 ( 5.059 0.000 5.845) 7.730 5.348 ( 3.557 0.000 3.944) 5.311 5.635 ( 1.017 0.000 -2.091) 2.325 5.654 ( -9.070 0.000 4.629) 10.183 5.782 ( -8.114 0.000 0.579) 8.134 5.793 ( 7.668 0.000 -0.124) 7.669 5.836 ( 8.334 0.000 6.566) 10.609 5.869 ( -14.724 0.000 3.164) 15.060 6.010 ( 2.851 0.000 3.810) 4.759 6.080 ( -14.467 0.000 -8.073) 16.567 6.211 ( -5.863 0.000 -16.888) 17.877 6.579 ( 5.129 0.000 5.790) 7.735 6.601 ( -8.722 0.000 -1.162) 8.799 6.792 ( 2.161 0.000 7.465) 7.772 6.805 ( -3.856 0.000 7.500) 8.433 6.901 ( -9.715 0.000 2.040) 9.927 7.067 ( -4.950 0.000 -5.971) 7.756 7.303 ( -10.107 0.000 0.774) 10.137 7.449 ( -4.199 0.000 -3.768) 5.642 7.536 ( -0.518 0.000 5.607) 5.630 7.674 ( 0.275 0.000 -1.714) 1.736 7.864 ( -2.374 0.000 0.761) 2.493 7.936 ( -0.477 0.000 -3.192) 3.227 7.948 ( 11.366 0.000 -5.625) 12.682 8.066 ( -2.281 0.000 -0.457) 2.326 8.161 ( 1.358 0.000 -2.492) 2.838 8.302 ( 5.616 0.000 2.300) 6.069 8.417 ( -0.934 0.000 5.075) 5.161 8.448 ( -4.237 0.000 2.299) 4.821 8.529 ( -2.377 0.000 0.905) 2.543 8.585 ( -0.007 0.000 -0.548) 0.548 8.639 ( -2.855 0.000 -2.630) 3.882 8.723 ( 4.989 0.000 -9.203) 10.469 8.754 ( -1.817 0.000 -5.357) 5.656 8.830 ( 6.644 0.000 -3.723) 7.616 8.860 ( 0.172 0.000 -0.753) 0.773 9.121 ( -5.682 0.000 -2.061) 6.045 9.209 ( -2.565 0.000 5.605) 6.165 9.210 ( -4.550 0.000 0.577) 4.586 9.312 ( -4.628 0.000 9.014) 10.133 9.364 ( 0.585 0.000 5.221) 5.254 9.509 ( -0.933 0.000 6.994) 7.056 9.590 ( -2.003 0.000 1.634) 2.585 9.659 ( 3.696 0.000 3.189) 4.881 9.745 ( -1.821 0.000 -6.345) 6.601 9.882 ( 7.387 0.000 -2.702) 7.865 9.954 ( -9.960 0.000 -0.903) 10.000 10.115 ( -3.853 0.000 -1.256) 4.052 10.176 ( 0.626 0.000 -1.184) 1.340 10.310 ( -0.726 0.000 8.185) 8.217 10.378 ( -8.892 0.000 3.428) 9.529 10.494 ( -1.562 0.000 1.146) 1.937 10.499 ( 2.966 0.000 -3.376) 4.494 10.572 ( -4.446 0.000 -4.923) 6.633 10.601 ( -7.869 0.000 -0.179) 7.871 10.659 ( -2.598 0.000 1.739) 3.126 10.718 ( -2.408 0.000 3.018) 3.861 10.880 ( 4.200 0.000 -6.386) 7.643 10.999 ( -2.736 0.000 1.118) 2.956 11.011 ( -1.005 0.000 -2.792) 2.967 11.115 ( 3.249 0.000 -2.900) 4.355 11.233 ( 1.039 0.000 4.183) 4.310 11.462 ( 13.806 0.000 -4.044) 14.386 11.514 ( 7.123 0.000 -0.173) 7.125 11.688 ( -4.440 0.000 3.394) 5.589 11.741 ( -0.056 0.000 8.507) 8.507 11.985 ( 8.831 0.000 -2.818) 9.270 12.066 ( 7.916 0.000 -4.555) 9.133 12.201 ( 6.535 0.000 5.008) 8.233 12.300 ( 5.948 0.000 -2.357) 6.398 12.421 ( 4.386 0.000 2.562) 5.079 12.453 ( 6.151 0.000 3.556) 7.105 12.516 ( 3.555 0.000 2.914) 4.597 12.602 ( -2.177 0.000 -0.058) 2.178 12.656 ( -4.413 0.000 -6.715) 8.035 12.722 ( 6.714 0.000 4.749) 8.224 12.755 ( 2.944 0.000 1.433) 3.274 12.907 ( 5.328 0.000 -7.767) 9.419 12.962 ( -0.275 0.000 -4.442) 4.451 13.065 ( -4.486 0.000 -6.523) 7.917 13.148 ( 9.711 0.000 4.011) 10.507 13.304 ( 2.297 0.000 3.386) 4.091 13.550 ( 5.102 0.000 2.591) 5.722 13.605 ( 2.506 0.000 -1.712) 3.035 13.658 ( -2.202 0.000 -6.447) 6.813 13.894 ( 0.610 0.000 8.667) 8.688 13.921 ( -6.476 0.000 -0.464) 6.493 14.013 ( -1.202 0.000 2.905) 3.144 14.288 ( -0.603 0.000 -2.683) 2.750 14.334 ( -2.814 0.000 0.483) 2.855 14.469 ( -2.024 0.000 2.007) 2.851 14.773 ( 4.640 0.000 -0.888) 4.724 14.792 ( 7.405 0.000 -1.810) 7.623 14.991 ( 2.979 0.000 7.587) 8.151 15.115 ( 1.384 0.000 6.499) 6.645 15.120 ( 1.934 0.000 -3.360) 3.877 15.278 ( -0.120 0.000 1.675) 1.679 15.330 ( 2.983 0.000 0.708) 3.066 15.471 ( 6.532 0.000 6.539) 9.243 15.595 ( -1.396 0.000 0.667) 1.548 15.598 ( 3.339 0.000 -15.929) 16.275 15.665 ( -0.681 0.000 0.026) 0.682 15.693 ( -0.034 0.000 2.214) 2.214 15.735 ( 1.439 0.000 -2.542) 2.921 15.815 ( 4.670 0.000 8.783) 9.948 15.889 ( 3.429 0.000 -3.488) 4.891 16.027 ( -3.683 0.000 -3.463) 5.055 16.077 ( -2.973 0.000 3.681) 4.732 16.179 ( 1.060 0.000 2.180) 2.424 16.303 ( 0.509 0.000 0.836) 0.979 16.350 ( 1.193 0.000 9.107) 9.185 16.497 ( 5.105 0.000 -8.147) 9.614 16.613 ( -2.033 0.000 -0.541) 2.104 16.796 ( -8.784 0.000 -3.159) 9.334 16.830 ( -3.935 0.000 -1.641) 4.264 16.961 ( -0.538 0.000 3.081) 3.127 17.150 ( 5.397 0.000 0.539) 5.424 17.213 ( 1.863 0.000 -11.167) 11.322 17.289 ( -5.476 0.000 3.453) 6.474 17.317 ( 2.938 0.000 -1.812) 3.451 17.404 ( -1.049 0.000 2.598) 2.802 17.493 ( 3.273 0.000 3.825) 5.034 17.513 ( 3.572 0.000 1.568) 3.902 17.590 ( 4.772 0.000 -0.499) 4.798 17.687 ( -4.275 0.000 -3.442) 5.488 17.954 ( -2.936 0.000 -3.194) 4.338 18.342 ( -0.081 0.000 -0.034) 0.087 18.379 ( 0.654 0.000 -0.127) 0.666 18.697 ( 0.235 0.000 -1.285) 1.306 18.748 ( -2.637 0.000 0.634) 2.712 19.458 ( -1.335 0.000 0.030) 1.335 19.519 ( 2.208 0.000 -2.187) 3.108 20.117 ( 2.279 0.000 6.679) 7.057 20.730 ( 10.765 0.000 4.861) 11.812 21.201 ( 2.885 0.000 9.144) 9.588 21.355 ( 5.488 0.000 -5.164) 7.535 21.467 ( -1.156 0.000 -3.695) 3.871 21.572 ( -5.092 0.000 -2.995) 5.908 21.746 ( 1.763 0.000 -1.737) 2.475 21.771 ( -1.551 0.000 -3.591) 3.911 21.913 ( -1.127 0.000 -1.775) 2.102 21.958 ( -5.268 0.000 0.775) 5.325 21.969 ( -0.859 0.000 1.983) 2.161 22.129 ( -10.640 0.000 6.741) 12.596 22.158 ( -2.563 0.000 -0.364) 2.589 22.237 ( -5.272 0.000 -1.279) 5.425 22.295 ( 3.497 0.000 3.770) 5.142 22.420 ( -0.179 0.000 1.352) 1.363 22.443 ( -2.606 0.000 -5.052) 5.684 22.525 ( -1.162 0.000 0.564) 1.292 22.732 ( -1.424 0.000 1.819) 2.311 22.853 ( -1.277 0.000 -1.224) 1.769 22.897 ( -1.470 0.000 -0.266) 1.493 22.964 ( 0.215 0.000 -0.155) 0.265 23.185 ( -7.496 0.000 -8.516) 11.345 23.222 ( 7.945 0.000 1.528) 8.090 23.457 ( 4.807 0.000 5.585) 7.369 24.088 ( -8.125 0.000 -6.740) 10.557 ======================= Grid point 66 (24/75) ======================= q-point: ( 0.43 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 30.542 0.000 -17.234) 35.069 2.137 ( 27.031 0.000 -14.200) 30.534 2.297 ( 16.368 0.000 -0.024) 16.368 2.373 ( 2.045 0.000 11.507) 11.687 2.459 ( -2.401 0.000 -9.728) 10.020 2.766 ( -21.895 0.000 15.260) 26.688 2.778 ( -6.899 0.000 3.781) 7.867 3.041 ( -7.107 0.000 2.263) 7.458 3.060 ( -18.045 0.000 8.893) 20.118 3.353 ( -10.670 0.000 4.261) 11.489 3.372 ( 27.422 0.000 -14.661) 31.095 3.607 ( -4.251 0.000 3.149) 5.290 3.737 ( 9.590 0.000 -19.275) 21.529 3.774 ( -14.836 0.000 -5.784) 15.923 3.890 ( 4.536 0.000 10.165) 11.131 4.131 ( -1.072 0.000 5.540) 5.643 4.285 ( 0.290 0.000 4.556) 4.565 4.339 ( 1.888 0.000 7.418) 7.654 4.452 ( -8.355 0.000 6.732) 10.729 4.565 ( -2.351 0.000 1.741) 2.926 4.838 ( 3.261 0.000 -6.779) 7.522 5.155 ( 5.734 0.000 -10.099) 11.614 5.221 ( -12.950 0.000 13.246) 18.524 5.253 ( -0.958 0.000 -5.830) 5.908 5.499 ( -9.448 0.000 2.635) 9.808 5.541 ( -8.503 0.000 1.641) 8.660 5.728 ( 0.815 0.000 -1.589) 1.786 5.751 ( 9.526 0.000 1.185) 9.599 5.798 ( -2.175 0.000 -3.758) 4.341 5.939 ( -2.092 0.000 1.621) 2.647 5.977 ( -2.333 0.000 -8.191) 8.517 6.009 ( 3.777 0.000 -8.209) 9.036 6.234 ( 9.487 0.000 11.526) 14.928 6.555 ( 0.128 0.000 4.649) 4.651 6.559 ( -4.258 0.000 -3.248) 5.356 6.770 ( -9.845 0.000 -0.451) 9.856 6.776 ( -2.997 0.000 2.349) 3.808 6.836 ( -6.957 0.000 0.768) 6.999 7.034 ( 3.659 0.000 5.711) 6.783 7.178 ( -2.429 0.000 0.556) 2.492 7.369 ( 1.452 0.000 -4.215) 4.458 7.428 ( -8.324 0.000 2.192) 8.608 7.659 ( 0.962 0.000 -6.926) 6.992 7.773 ( -3.751 0.000 -8.854) 9.616 7.957 ( 0.615 0.000 -0.154) 0.634 8.040 ( 0.380 0.000 -0.157) 0.411 8.109 ( 3.449 0.000 -7.112) 7.904 8.162 ( 4.366 0.000 1.576) 4.641 8.371 ( 0.633 0.000 2.296) 2.382 8.401 ( 6.253 0.000 0.581) 6.280 8.472 ( -2.533 0.000 7.920) 8.315 8.489 ( -3.758 0.000 0.255) 3.767 8.507 ( -2.738 0.000 5.254) 5.925 8.579 ( -1.755 0.000 -3.671) 4.069 8.676 ( -2.734 0.000 4.187) 5.001 8.808 ( 3.119 0.000 7.124) 7.777 8.908 ( 8.181 0.000 -5.915) 10.095 8.936 ( 4.499 0.000 -3.709) 5.831 9.001 ( -0.432 0.000 -7.463) 7.475 9.153 ( -2.659 0.000 1.096) 2.876 9.209 ( -3.870 0.000 4.573) 5.990 9.374 ( -3.836 0.000 -1.878) 4.271 9.374 ( -1.175 0.000 11.575) 11.635 9.603 ( 2.795 0.000 5.546) 6.210 9.612 ( -0.766 0.000 3.787) 3.864 9.685 ( 1.051 0.000 -0.867) 1.362 9.742 ( -1.102 0.000 0.595) 1.252 9.822 ( -2.517 0.000 0.620) 2.592 9.957 ( 7.642 0.000 -9.754) 12.391 10.057 ( 2.225 0.000 -5.234) 5.687 10.125 ( -4.775 0.000 0.125) 4.777 10.286 ( -3.727 0.000 2.828) 4.679 10.299 ( -6.450 0.000 2.857) 7.055 10.429 ( -3.066 0.000 -0.559) 3.116 10.436 ( -5.063 0.000 -4.175) 6.562 10.504 ( 0.625 0.000 -3.179) 3.240 10.524 ( 3.893 0.000 -3.663) 5.346 10.628 ( -5.109 0.000 6.431) 8.213 10.671 ( -4.373 0.000 -3.835) 5.817 10.897 ( 3.364 0.000 -6.709) 7.505 10.980 ( -0.451 0.000 -0.945) 1.047 10.994 ( 2.210 0.000 -2.896) 3.642 11.212 ( 2.559 0.000 8.842) 9.205 11.256 ( -0.868 0.000 0.810) 1.187 11.524 ( 0.975 0.000 -8.323) 8.380 11.588 ( -0.739 0.000 2.399) 2.510 11.758 ( -1.926 0.000 4.500) 4.895 11.839 ( 13.406 0.000 8.478) 15.862 11.954 ( -5.742 0.000 -3.608) 6.781 12.164 ( 5.569 0.000 -3.389) 6.519 12.335 ( 1.816 0.000 -2.152) 2.816 12.338 ( 8.269 0.000 -4.383) 9.359 12.432 ( -5.338 0.000 -8.826) 10.315 12.450 ( -1.551 0.000 -5.458) 5.674 12.547 ( -1.506 0.000 3.903) 4.184 12.592 ( -1.077 0.000 -1.827) 2.121 12.737 ( 1.854 0.000 8.795) 8.988 12.768 ( 2.460 0.000 7.690) 8.074 12.842 ( -1.258 0.000 -2.223) 2.554 12.923 ( 4.261 0.000 6.606) 7.861 12.962 ( 5.661 0.000 -2.564) 6.215 13.079 ( 4.653 0.000 4.149) 6.234 13.342 ( -0.206 0.000 0.462) 0.506 13.357 ( 9.160 0.000 -1.525) 9.286 13.493 ( -6.512 0.000 -0.496) 6.531 13.629 ( 1.878 0.000 -0.230) 1.892 13.715 ( 5.533 0.000 2.136) 5.931 13.834 ( -3.690 0.000 2.724) 4.586 13.933 ( -1.361 0.000 0.148) 1.369 14.002 ( -3.972 0.000 2.645) 4.772 14.288 ( -2.112 0.000 -0.487) 2.167 14.327 ( 3.207 0.000 5.284) 6.181 14.417 ( -2.507 0.000 0.086) 2.508 14.838 ( 2.688 0.000 0.677) 2.772 14.879 ( 3.451 0.000 -0.256) 3.460 15.016 ( -3.692 0.000 -5.348) 6.499 15.115 ( -1.984 0.000 3.182) 3.750 15.162 ( 3.632 0.000 1.120) 3.801 15.278 ( -1.276 0.000 0.351) 1.323 15.388 ( -0.529 0.000 -1.967) 2.037 15.472 ( 4.190 0.000 -14.850) 15.430 15.565 ( -3.205 0.000 -1.601) 3.583 15.615 ( 1.583 0.000 3.354) 3.709 15.637 ( -1.603 0.000 1.152) 1.974 15.680 ( -0.329 0.000 -1.975) 2.002 15.765 ( 2.420 0.000 -1.607) 2.905 15.870 ( -4.774 0.000 -4.272) 6.406 15.896 ( 2.561 0.000 -4.431) 5.118 15.975 ( 2.954 0.000 5.085) 5.881 16.074 ( -2.249 0.000 3.899) 4.501 16.217 ( -0.817 0.000 2.693) 2.814 16.395 ( 2.949 0.000 5.899) 6.595 16.425 ( -3.764 0.000 5.442) 6.617 16.471 ( 2.316 0.000 -5.794) 6.240 16.640 ( 5.055 0.000 -0.340) 5.067 16.652 ( -2.093 0.000 2.247) 3.071 16.785 ( -0.379 0.000 0.968) 1.040 16.902 ( -2.933 0.000 -7.672) 8.214 17.172 ( -4.646 0.000 0.653) 4.692 17.217 ( 4.363 0.000 2.633) 5.096 17.293 ( 3.550 0.000 3.345) 4.877 17.343 ( 2.909 0.000 -5.106) 5.877 17.383 ( -4.442 0.000 2.658) 5.177 17.517 ( -0.836 0.000 -2.328) 2.473 17.577 ( 1.599 0.000 2.417) 2.898 17.648 ( 2.147 0.000 -0.772) 2.281 17.671 ( 0.023 0.000 2.654) 2.655 17.888 ( -0.433 0.000 -4.175) 4.197 18.344 ( 0.085 0.000 0.415) 0.424 18.383 ( 0.222 0.000 -0.650) 0.687 18.698 ( 0.650 0.000 -0.398) 0.762 18.713 ( -1.666 0.000 0.286) 1.690 19.442 ( -0.471 0.000 0.445) 0.648 19.526 ( 1.168 0.000 -3.122) 3.333 20.233 ( 1.154 0.000 12.550) 12.603 20.892 ( 2.290 0.000 6.174) 6.585 21.227 ( -11.273 0.000 -15.973) 19.550 21.366 ( 4.243 0.000 -12.485) 13.187 21.421 ( 5.704 0.000 5.961) 8.250 21.455 ( 1.338 0.000 1.771) 2.220 21.740 ( 1.454 0.000 -0.857) 1.688 21.790 ( 2.707 0.000 1.594) 3.142 21.904 ( -2.698 0.000 2.802) 3.890 21.972 ( -5.688 0.000 0.895) 5.758 21.973 ( 5.305 0.000 0.088) 5.306 21.985 ( -5.040 0.000 4.367) 6.669 22.063 ( -6.702 0.000 -1.777) 6.933 22.154 ( -0.808 0.000 -5.546) 5.604 22.350 ( -1.319 0.000 -1.279) 1.837 22.418 ( -0.282 0.000 -2.007) 2.027 22.442 ( 3.477 0.000 6.891) 7.719 22.523 ( -0.209 0.000 2.635) 2.643 22.720 ( -0.874 0.000 0.221) 0.901 22.821 ( 0.250 0.000 -3.678) 3.686 22.882 ( -0.597 0.000 1.588) 1.697 22.964 ( 0.055 0.000 -0.374) 0.378 23.092 ( 0.842 0.000 -1.657) 1.859 23.331 ( 2.887 0.000 -3.398) 4.458 23.571 ( -0.377 0.000 9.850) 9.857 23.915 ( -2.948 0.000 -4.669) 5.521 ======================= Grid point 67 (25/75) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -27.710 0.000 -18.982) 33.588 1.956 ( -33.204 0.000 -5.059) 33.587 2.168 ( 27.919 0.000 -7.755) 28.976 2.568 ( -10.792 0.000 16.841) 20.002 2.571 ( 23.496 0.000 -4.298) 23.886 2.702 ( -20.331 0.000 -1.537) 20.389 2.849 ( -15.534 0.000 8.413) 17.665 2.984 ( -26.475 0.000 6.195) 27.190 3.024 ( 18.977 0.000 4.189) 19.434 3.242 ( 19.949 0.000 13.219) 23.931 3.408 ( -10.370 0.000 -13.285) 16.853 3.495 ( 4.367 0.000 -15.638) 16.236 3.692 ( 16.266 0.000 1.028) 16.299 3.751 ( 11.709 0.000 -14.816) 18.884 3.932 ( -7.229 0.000 12.958) 14.838 4.303 ( 1.116 0.000 12.238) 12.288 4.346 ( 3.812 0.000 3.165) 4.954 4.448 ( -7.696 0.000 3.161) 8.319 4.588 ( 10.745 0.000 -3.576) 11.324 4.617 ( 11.797 0.000 8.632) 14.618 4.786 ( 3.920 0.000 -7.805) 8.734 5.045 ( -11.791 0.000 4.001) 12.452 5.068 ( 7.701 0.000 -7.238) 10.569 5.374 ( 3.028 0.000 -3.125) 4.351 5.428 ( -3.552 0.000 7.908) 8.669 5.504 ( -0.310 0.000 2.028) 2.052 5.715 ( -1.317 0.000 -4.108) 4.314 5.792 ( -6.663 0.000 -8.872) 11.096 5.811 ( -0.767 0.000 1.868) 2.019 5.912 ( 13.828 0.000 4.770) 14.628 5.944 ( -2.392 0.000 0.147) 2.396 5.972 ( 0.137 0.000 -6.297) 6.299 6.473 ( 4.319 0.000 3.001) 5.259 6.535 ( -1.600 0.000 -4.107) 4.408 6.617 ( -4.375 0.000 -4.894) 6.565 6.623 ( 7.296 0.000 8.552) 11.241 6.724 ( 3.397 0.000 5.108) 6.134 6.766 ( 1.884 0.000 0.430) 1.933 7.161 ( 3.366 0.000 5.426) 6.385 7.208 ( 4.650 0.000 -0.843) 4.725 7.406 ( 0.829 0.000 3.919) 4.006 7.436 ( 6.287 0.000 2.362) 6.717 7.584 ( -3.618 0.000 -14.374) 14.823 7.593 ( 0.730 0.000 -6.745) 6.785 7.947 ( 0.342 0.000 -0.435) 0.554 8.012 ( -4.058 0.000 -6.449) 7.619 8.091 ( 2.103 0.000 4.768) 5.211 8.196 ( -0.637 0.000 -2.517) 2.596 8.414 ( -6.621 0.000 0.988) 6.695 8.476 ( 0.742 0.000 1.768) 1.917 8.490 ( -0.903 0.000 -0.351) 0.969 8.526 ( 1.137 0.000 2.343) 2.604 8.557 ( 6.091 0.000 5.311) 8.081 8.579 ( 6.292 0.000 -0.694) 6.330 8.688 ( -2.396 0.000 6.031) 6.489 8.811 ( -9.928 0.000 -5.499) 11.349 8.953 ( 5.211 0.000 3.447) 6.247 8.991 ( 4.263 0.000 -6.334) 7.635 9.027 ( 7.254 0.000 -0.488) 7.271 9.104 ( -4.331 0.000 -2.693) 5.100 9.185 ( -2.889 0.000 5.420) 6.142 9.281 ( -1.517 0.000 0.128) 1.522 9.466 ( -3.456 0.000 17.921) 18.251 9.550 ( -6.752 0.000 -0.620) 6.781 9.566 ( -4.095 0.000 1.065) 4.231 9.720 ( -3.491 0.000 2.045) 4.046 9.764 ( 7.031 0.000 1.058) 7.110 9.884 ( 5.355 0.000 1.491) 5.559 9.950 ( -1.025 0.000 -12.564) 12.606 10.045 ( 2.998 0.000 -6.686) 7.327 10.120 ( 3.561 0.000 0.161) 3.565 10.178 ( -2.786 0.000 0.248) 2.797 10.301 ( 1.915 0.000 4.674) 5.051 10.403 ( 3.937 0.000 -2.788) 4.824 10.444 ( -2.110 0.000 -7.998) 8.272 10.462 ( 5.196 0.000 1.436) 5.391 10.546 ( -0.727 0.000 0.367) 0.814 10.572 ( -0.699 0.000 -0.824) 1.080 10.653 ( 2.374 0.000 4.463) 5.055 10.879 ( 2.411 0.000 -7.972) 8.328 10.928 ( -4.462 0.000 -1.555) 4.725 11.014 ( 1.098 0.000 -1.459) 1.826 11.239 ( -0.884 0.000 0.471) 1.002 11.298 ( 2.141 0.000 2.265) 3.117 11.514 ( 1.231 0.000 1.994) 2.343 11.550 ( -3.345 0.000 -0.693) 3.416 11.768 ( -2.871 0.000 4.895) 5.675 11.810 ( -8.297 0.000 1.706) 8.471 12.065 ( 1.875 0.000 1.804) 2.602 12.179 ( -7.153 0.000 -5.907) 9.277 12.268 ( 0.878 0.000 -3.090) 3.212 12.290 ( -3.410 0.000 -0.726) 3.486 12.368 ( -3.382 0.000 -4.441) 5.582 12.466 ( 7.818 0.000 -5.456) 9.533 12.500 ( -2.509 0.000 2.223) 3.352 12.563 ( 3.186 0.000 0.934) 3.320 12.762 ( -4.397 0.000 7.287) 8.511 12.764 ( -4.401 0.000 -0.221) 4.406 12.848 ( -1.769 0.000 1.597) 2.383 13.036 ( 2.552 0.000 -2.487) 3.564 13.092 ( 3.993 0.000 7.551) 8.542 13.181 ( -4.811 0.000 -1.914) 5.177 13.256 ( -4.268 0.000 3.461) 5.495 13.301 ( -3.954 0.000 -1.884) 4.379 13.576 ( 5.098 0.000 0.722) 5.149 13.599 ( -3.812 0.000 -2.071) 4.338 13.830 ( 3.931 0.000 3.137) 5.029 13.866 ( -7.227 0.000 -3.265) 7.930 13.922 ( -0.643 0.000 -1.753) 1.867 13.928 ( 7.616 0.000 14.133) 16.055 14.250 ( -0.799 0.000 -2.259) 2.396 14.346 ( 0.605 0.000 -1.334) 1.465 14.533 ( 3.630 0.000 13.823) 14.292 14.815 ( -5.196 0.000 -10.719) 11.912 14.891 ( -3.808 0.000 4.175) 5.651 14.907 ( -1.631 0.000 0.657) 1.759 15.030 ( -6.513 0.000 -6.148) 8.957 15.198 ( -1.894 0.000 -0.344) 1.925 15.252 ( -1.624 0.000 -0.583) 1.725 15.310 ( 2.427 0.000 -4.248) 4.893 15.438 ( -4.376 0.000 -3.635) 5.689 15.529 ( 7.706 0.000 -5.242) 9.320 15.637 ( -0.149 0.000 1.940) 1.946 15.645 ( -0.004 0.000 1.940) 1.940 15.655 ( 0.298 0.000 -2.673) 2.690 15.769 ( -4.183 0.000 0.426) 4.204 15.779 ( 1.634 0.000 -2.281) 2.806 15.924 ( 4.605 0.000 -3.955) 6.070 16.036 ( -5.019 0.000 1.554) 5.254 16.093 ( 3.626 0.000 4.773) 5.994 16.216 ( -1.429 0.000 2.057) 2.505 16.356 ( -2.493 0.000 -1.245) 2.787 16.406 ( -4.249 0.000 5.806) 7.195 16.493 ( -0.463 0.000 1.717) 1.778 16.720 ( 5.172 0.000 -3.303) 6.137 16.773 ( 6.353 0.000 4.946) 8.051 16.789 ( -0.678 0.000 -8.711) 8.738 16.835 ( 2.869 0.000 4.253) 5.130 17.091 ( -3.615 0.000 -0.580) 3.661 17.287 ( 1.508 0.000 -4.460) 4.708 17.289 ( -7.637 0.000 1.028) 7.706 17.387 ( 2.651 0.000 3.620) 4.487 17.406 ( 5.686 0.000 2.874) 6.371 17.446 ( -3.261 0.000 -3.485) 4.773 17.612 ( 0.335 0.000 3.360) 3.377 17.649 ( -0.877 0.000 -1.211) 1.495 17.678 ( -1.854 0.000 2.614) 3.205 17.863 ( 2.092 0.000 -5.389) 5.781 18.351 ( 0.068 0.000 0.764) 0.767 18.375 ( -0.225 0.000 -1.013) 1.038 18.695 ( -0.434 0.000 -0.376) 0.574 18.712 ( 1.007 0.000 0.274) 1.044 19.450 ( 0.412 0.000 0.875) 0.967 19.508 ( 0.377 0.000 -3.315) 3.337 20.393 ( -0.171 0.000 21.076) 21.077 20.848 ( -11.663 0.000 -11.937) 16.689 20.977 ( 1.376 0.000 1.172) 1.808 21.318 ( 3.624 0.000 -12.159) 12.687 21.502 ( 2.351 0.000 -0.379) 2.382 21.534 ( 1.521 0.000 -0.986) 1.812 21.764 ( -7.258 0.000 -1.072) 7.337 21.822 ( 3.812 0.000 3.684) 5.301 21.901 ( -3.590 0.000 7.058) 7.918 21.920 ( -3.423 0.000 -3.481) 4.882 21.924 ( 4.031 0.000 1.340) 4.248 22.012 ( 2.269 0.000 1.361) 2.646 22.049 ( 1.661 0.000 -2.691) 3.162 22.130 ( 5.105 0.000 -2.736) 5.792 22.334 ( -0.819 0.000 1.769) 1.949 22.381 ( -1.282 0.000 -2.127) 2.484 22.540 ( 1.117 0.000 3.894) 4.051 22.551 ( 0.120 0.000 1.924) 1.927 22.708 ( -0.366 0.000 -0.171) 0.404 22.807 ( 2.883 0.000 -4.387) 5.249 22.904 ( 0.090 0.000 3.323) 3.324 22.960 ( 0.068 0.000 -0.792) 0.795 23.144 ( 3.080 0.000 2.590) 4.025 23.234 ( -6.067 0.000 -7.297) 9.490 23.639 ( -0.905 0.000 10.053) 10.093 23.931 ( 7.885 0.000 -5.555) 9.645 ======================= Grid point 68 (26/75) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -30.222 0.000 -16.442) 34.405 1.301 ( -36.417 0.000 -0.018) 36.417 2.084 ( -55.205 0.000 6.869) 55.631 2.098 ( -17.055 0.000 -16.645) 23.832 2.656 ( 10.816 0.000 12.298) 16.378 2.756 ( -12.191 0.000 16.559) 20.563 2.782 ( 15.323 0.000 8.854) 17.697 2.853 ( -0.935 0.000 -18.457) 18.481 3.254 ( 12.133 0.000 -4.267) 12.862 3.402 ( 20.915 0.000 -3.521) 21.209 3.650 ( 21.081 0.000 -9.428) 23.093 3.672 ( 14.137 0.000 9.203) 16.869 3.864 ( 11.702 0.000 -5.967) 13.136 3.948 ( -3.841 0.000 8.624) 9.441 3.949 ( 3.598 0.000 10.793) 11.377 4.316 ( -9.337 0.000 12.696) 15.760 4.365 ( -4.157 0.000 11.374) 12.110 4.406 ( -2.503 0.000 -12.282) 12.534 4.496 ( -3.591 0.000 -8.485) 9.214 4.678 ( 4.165 0.000 -11.435) 12.170 4.875 ( 0.894 0.000 -3.496) 3.608 5.140 ( 7.069 0.000 -12.876) 14.689 5.207 ( 13.380 0.000 0.981) 13.416 5.231 ( -7.446 0.000 -1.248) 7.550 5.486 ( 1.749 0.000 14.415) 14.520 5.547 ( -1.349 0.000 3.524) 3.774 5.693 ( 3.416 0.000 -0.145) 3.419 5.717 ( 3.172 0.000 -2.774) 4.214 5.836 ( -5.372 0.000 2.942) 6.125 5.925 ( 9.193 0.000 2.645) 9.566 5.928 ( 0.217 0.000 -2.826) 2.835 6.226 ( 16.952 0.000 -3.260) 17.263 6.324 ( -5.383 0.000 -7.821) 9.495 6.602 ( 10.378 0.000 1.740) 10.523 6.641 ( 3.741 0.000 -0.810) 3.828 6.858 ( 6.343 0.000 7.349) 9.708 6.867 ( 2.604 0.000 7.768) 8.193 6.884 ( 6.203 0.000 1.127) 6.305 7.236 ( -4.478 0.000 -10.862) 11.749 7.299 ( 9.282 0.000 5.174) 10.627 7.373 ( 0.619 0.000 2.670) 2.741 7.549 ( 8.628 0.000 -5.000) 9.972 7.568 ( 5.394 0.000 -2.848) 6.100 7.638 ( 5.662 0.000 7.708) 9.564 7.873 ( -9.598 0.000 -3.663) 10.273 7.940 ( -0.007 0.000 -1.346) 1.346 8.136 ( -2.769 0.000 -7.076) 7.599 8.168 ( 4.028 0.000 1.002) 4.151 8.345 ( 1.751 0.000 4.332) 4.673 8.383 ( -5.696 0.000 -6.198) 8.418 8.480 ( -7.840 0.000 3.918) 8.764 8.552 ( -5.841 0.000 3.701) 6.915 8.561 ( -7.840 0.000 -0.355) 7.848 8.586 ( -1.475 0.000 1.795) 2.324 8.644 ( 4.749 0.000 -4.192) 6.335 8.819 ( 4.797 0.000 -0.118) 4.799 8.885 ( -5.254 0.000 -10.257) 11.524 8.932 ( 1.702 0.000 -9.006) 9.166 8.967 ( -2.527 0.000 0.739) 2.633 9.208 ( 0.616 0.000 7.327) 7.353 9.297 ( 7.187 0.000 6.216) 9.502 9.313 ( 2.902 0.000 -1.046) 3.085 9.504 ( 2.596 0.000 1.298) 2.903 9.568 ( -4.528 0.000 16.892) 17.488 9.587 ( 6.399 0.000 -0.014) 6.399 9.674 ( -3.988 0.000 5.676) 6.937 9.758 ( -4.749 0.000 -7.508) 8.884 9.905 ( 3.323 0.000 1.397) 3.605 9.934 ( 2.422 0.000 -5.496) 6.006 10.088 ( 1.928 0.000 5.020) 5.377 10.167 ( 5.638 0.000 -4.993) 7.531 10.198 ( 0.579 0.000 3.458) 3.506 10.397 ( 5.372 0.000 -2.650) 5.990 10.432 ( 5.554 0.000 6.151) 8.288 10.506 ( 10.070 0.000 -3.890) 10.795 10.535 ( 1.562 0.000 0.061) 1.563 10.602 ( 4.509 0.000 2.819) 5.318 10.632 ( 6.564 0.000 -0.211) 6.567 10.710 ( 0.175 0.000 1.712) 1.721 10.824 ( -4.085 0.000 -0.883) 4.179 10.844 ( 1.642 0.000 -7.617) 7.792 10.985 ( -1.613 0.000 -2.356) 2.855 11.226 ( -4.608 0.000 1.659) 4.897 11.362 ( 3.173 0.000 -0.303) 3.188 11.476 ( -1.225 0.000 -5.264) 5.405 11.540 ( -2.444 0.000 3.484) 4.255 11.683 ( -10.248 0.000 3.999) 11.001 11.713 ( -6.301 0.000 7.134) 9.518 11.949 ( -4.354 0.000 -4.263) 6.093 11.986 ( -12.902 0.000 -2.062) 13.066 12.135 ( -8.191 0.000 3.145) 8.774 12.284 ( -0.751 0.000 -2.347) 2.464 12.378 ( 6.520 0.000 2.922) 7.145 12.533 ( 4.078 0.000 -4.720) 6.238 12.571 ( 0.555 0.000 6.773) 6.796 12.634 ( -0.176 0.000 2.327) 2.334 12.666 ( -9.786 0.000 2.339) 10.062 12.691 ( -3.067 0.000 -0.736) 3.154 12.836 ( -1.049 0.000 2.914) 3.097 12.906 ( -12.096 0.000 -10.800) 16.216 12.954 ( -5.295 0.000 -6.104) 8.081 13.127 ( -8.267 0.000 -2.681) 8.691 13.177 ( -4.200 0.000 1.426) 4.436 13.320 ( 1.468 0.000 4.199) 4.448 13.485 ( -6.928 0.000 0.742) 6.967 13.604 ( -0.200 0.000 -1.029) 1.048 13.726 ( -2.830 0.000 -4.098) 4.980 13.945 ( 4.295 0.000 -1.192) 4.457 13.961 ( 5.840 0.000 2.762) 6.460 14.200 ( 7.122 0.000 0.743) 7.161 14.248 ( 2.576 0.000 9.581) 9.922 14.355 ( 0.956 0.000 -0.923) 1.329 14.604 ( -3.707 0.000 -13.353) 13.858 14.722 ( 0.858 0.000 17.329) 17.350 14.823 ( -8.987 0.000 7.149) 11.484 14.825 ( -5.627 0.000 1.157) 5.744 14.851 ( -7.720 0.000 -5.500) 9.479 15.208 ( 2.024 0.000 1.871) 2.757 15.234 ( 0.433 0.000 0.260) 0.505 15.289 ( -1.999 0.000 -2.441) 3.155 15.364 ( -2.984 0.000 -0.517) 3.029 15.619 ( 1.845 0.000 0.858) 2.034 15.647 ( -0.357 0.000 0.433) 0.561 15.665 ( 4.492 0.000 -3.097) 5.456 15.672 ( 0.898 0.000 3.068) 3.197 15.734 ( -2.024 0.000 3.960) 4.447 15.788 ( 2.307 0.000 -3.608) 4.282 15.900 ( -2.571 0.000 -2.169) 3.363 16.029 ( 3.789 0.000 0.311) 3.801 16.154 ( -0.296 0.000 1.221) 1.256 16.218 ( -1.355 0.000 4.554) 4.752 16.333 ( 0.036 0.000 0.284) 0.286 16.416 ( -0.993 0.000 7.038) 7.108 16.470 ( -2.368 0.000 -0.471) 2.414 16.707 ( -0.620 0.000 -8.195) 8.219 16.766 ( 4.196 0.000 -4.879) 6.435 16.883 ( 4.478 0.000 -1.438) 4.704 16.943 ( 2.592 0.000 6.237) 6.754 17.031 ( -1.457 0.000 -3.305) 3.611 17.158 ( -5.852 0.000 -0.206) 5.856 17.250 ( -2.301 0.000 -4.647) 5.186 17.323 ( -3.286 0.000 -0.872) 3.400 17.452 ( 0.998 0.000 3.867) 3.994 17.476 ( -1.323 0.000 -0.788) 1.540 17.607 ( -2.428 0.000 -0.572) 2.494 17.651 ( -3.813 0.000 2.988) 4.844 17.733 ( 8.408 0.000 4.106) 9.357 17.825 ( 0.329 0.000 -11.133) 11.138 18.359 ( -0.069 0.000 0.756) 0.759 18.360 ( -0.397 0.000 -0.942) 1.023 18.682 ( -0.311 0.000 -1.361) 1.396 18.738 ( 1.269 0.000 0.847) 1.526 19.463 ( 0.154 0.000 0.565) 0.585 19.489 ( 0.587 0.000 -2.269) 2.343 20.560 ( -7.283 0.000 -12.316) 14.308 20.636 ( 0.795 0.000 33.444) 33.454 21.030 ( -0.020 0.000 6.229) 6.229 21.273 ( 3.570 0.000 -11.832) 12.359 21.491 ( -0.694 0.000 -8.933) 8.960 21.506 ( -1.079 0.000 -3.095) 3.278 21.652 ( -3.397 0.000 1.280) 3.630 21.762 ( -4.700 0.000 -1.602) 4.966 21.892 ( -2.536 0.000 2.602) 3.634 21.977 ( 3.937 0.000 -1.216) 4.121 21.998 ( 0.716 0.000 3.912) 3.977 22.020 ( 0.083 0.000 -1.649) 1.652 22.114 ( 6.588 0.000 3.608) 7.511 22.263 ( 7.861 0.000 -0.732) 7.895 22.346 ( -0.952 0.000 -0.715) 1.191 22.347 ( 0.417 0.000 3.108) 3.135 22.527 ( -3.070 0.000 -2.994) 4.288 22.562 ( -0.471 0.000 0.903) 1.018 22.717 ( 0.792 0.000 2.164) 2.304 22.855 ( 6.041 0.000 -2.935) 6.717 22.939 ( 1.549 0.000 1.940) 2.483 22.950 ( 0.068 0.000 -1.803) 1.804 23.076 ( -4.468 0.000 -3.678) 5.787 23.181 ( -1.508 0.000 0.552) 1.606 23.764 ( 3.709 0.000 11.268) 11.862 23.993 ( 7.402 0.000 -15.892) 17.532 ======================= Grid point 69 (27/75) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -20.370 0.000 19.308) 28.067 0.731 ( -32.871 0.000 17.065) 37.037 1.232 ( -54.882 0.000 27.696) 61.475 1.755 ( 4.280 0.000 -28.503) 28.822 2.382 ( -8.945 0.000 -31.398) 32.647 2.861 ( -8.238 0.000 23.551) 24.951 2.918 ( -4.669 0.000 27.751) 28.141 3.164 ( 21.225 0.000 -0.201) 21.226 3.431 ( 12.862 0.000 -10.897) 16.857 3.768 ( 18.002 0.000 -1.679) 18.080 3.842 ( -0.725 0.000 -1.705) 1.853 3.874 ( 4.280 0.000 2.595) 5.005 3.887 ( -14.829 0.000 -28.064) 31.741 3.978 ( 9.019 0.000 -1.846) 9.205 4.022 ( 5.121 0.000 0.094) 5.122 4.200 ( 6.314 0.000 10.990) 12.674 4.288 ( -1.099 0.000 2.915) 3.116 4.444 ( 3.901 0.000 6.352) 7.454 4.486 ( -1.562 0.000 1.909) 2.467 4.590 ( 0.193 0.000 -10.366) 10.367 4.922 ( -12.237 0.000 -0.940) 12.273 4.962 ( 10.158 0.000 -0.418) 10.166 5.184 ( -7.284 0.000 -1.991) 7.551 5.405 ( 7.155 0.000 -9.246) 11.691 5.480 ( -0.184 0.000 9.470) 9.471 5.628 ( -2.702 0.000 3.570) 4.477 5.737 ( -4.389 0.000 10.603) 11.476 5.747 ( 2.627 0.000 -2.487) 3.618 5.951 ( 4.373 0.000 0.104) 4.374 5.984 ( 17.760 0.000 2.941) 18.002 6.037 ( 0.216 0.000 -1.571) 1.586 6.359 ( 0.576 0.000 -9.877) 9.894 6.360 ( 13.938 0.000 -0.506) 13.947 6.706 ( -0.395 0.000 -6.788) 6.799 6.728 ( 2.552 0.000 1.881) 3.170 6.869 ( -16.885 0.000 -4.237) 17.408 6.934 ( 4.499 0.000 4.709) 6.513 7.058 ( 9.104 0.000 9.106) 12.876 7.097 ( 16.771 0.000 -5.816) 17.750 7.498 ( -0.372 0.000 0.514) 0.635 7.516 ( 8.518 0.000 2.651) 8.921 7.535 ( -10.303 0.000 -7.514) 12.752 7.643 ( 3.736 0.000 -0.979) 3.862 7.674 ( 4.125 0.000 0.032) 4.125 7.833 ( 4.084 0.000 8.025) 9.004 7.919 ( -3.543 0.000 -0.377) 3.562 8.023 ( -1.200 0.000 1.275) 1.751 8.214 ( -19.460 0.000 1.824) 19.546 8.228 ( 7.610 0.000 -4.369) 8.775 8.352 ( 5.005 0.000 -2.920) 5.794 8.482 ( -2.984 0.000 3.404) 4.527 8.504 ( -6.620 0.000 6.934) 9.587 8.549 ( -3.130 0.000 2.195) 3.822 8.552 ( 9.739 0.000 3.736) 10.431 8.648 ( 1.097 0.000 -5.185) 5.300 8.658 ( -8.987 0.000 -2.668) 9.375 8.784 ( 3.988 0.000 -6.365) 7.511 8.938 ( 1.462 0.000 -1.665) 2.216 9.106 ( 5.999 0.000 4.739) 7.646 9.245 ( -5.442 0.000 5.876) 8.009 9.365 ( 0.225 0.000 -0.981) 1.006 9.422 ( 8.034 0.000 1.114) 8.111 9.543 ( -3.652 0.000 3.874) 5.324 9.601 ( -5.391 0.000 -5.200) 7.490 9.646 ( 0.965 0.000 2.068) 2.282 9.715 ( 4.688 0.000 11.047) 12.000 9.735 ( 7.584 0.000 -3.269) 8.259 9.888 ( 13.542 0.000 -9.195) 16.368 10.055 ( 4.717 0.000 3.428) 5.831 10.095 ( -5.797 0.000 9.613) 11.226 10.255 ( 2.635 0.000 0.608) 2.704 10.294 ( 7.067 0.000 -4.196) 8.219 10.477 ( -7.466 0.000 -0.424) 7.478 10.519 ( 3.966 0.000 1.569) 4.264 10.582 ( 6.462 0.000 3.399) 7.301 10.645 ( 4.889 0.000 -5.830) 7.609 10.679 ( 3.605 0.000 -1.070) 3.760 10.697 ( 2.082 0.000 1.293) 2.450 10.725 ( 0.272 0.000 2.448) 2.463 10.817 ( 1.807 0.000 3.132) 3.616 10.835 ( 7.689 0.000 -7.457) 10.711 10.999 ( 4.377 0.000 1.000) 4.490 11.060 ( -7.460 0.000 0.671) 7.490 11.338 ( -5.975 0.000 0.490) 5.995 11.441 ( 3.120 0.000 -7.280) 7.920 11.504 ( -3.283 0.000 -9.693) 10.234 11.613 ( -18.556 0.000 8.541) 20.427 11.688 ( 2.643 0.000 6.926) 7.413 11.715 ( -6.374 0.000 8.471) 10.602 11.896 ( -0.138 0.000 -1.829) 1.834 12.073 ( -7.432 0.000 3.059) 8.037 12.201 ( -11.950 0.000 -5.685) 13.233 12.414 ( -3.037 0.000 -0.373) 3.060 12.479 ( -7.576 0.000 1.447) 7.713 12.539 ( -1.370 0.000 -5.702) 5.864 12.609 ( -4.197 0.000 1.781) 4.559 12.634 ( -2.825 0.000 -3.083) 4.182 12.645 ( 5.466 0.000 0.017) 5.466 12.732 ( 3.146 0.000 -2.517) 4.029 12.854 ( -1.186 0.000 -2.537) 2.801 12.857 ( 1.001 0.000 5.174) 5.269 12.954 ( -2.650 0.000 5.684) 6.272 13.125 ( -2.742 0.000 -2.105) 3.457 13.360 ( 1.065 0.000 -0.201) 1.084 13.412 ( -4.291 0.000 6.490) 7.780 13.579 ( -0.552 0.000 -2.273) 2.339 13.634 ( -4.314 0.000 -7.097) 8.305 14.050 ( 7.098 0.000 0.201) 7.100 14.058 ( 3.767 0.000 0.495) 3.799 14.237 ( 3.670 0.000 -8.388) 9.156 14.349 ( 1.872 0.000 -4.028) 4.441 14.351 ( -1.115 0.000 0.562) 1.249 14.544 ( 3.326 0.000 0.549) 3.371 14.623 ( -12.011 0.000 -3.414) 12.486 14.705 ( -3.533 0.000 -1.045) 3.684 14.782 ( -5.545 0.000 13.537) 14.629 14.973 ( 5.927 0.000 14.835) 15.976 15.244 ( -0.195 0.000 -3.494) 3.500 15.255 ( -0.316 0.000 4.330) 4.341 15.255 ( 0.211 0.000 2.082) 2.093 15.316 ( -1.818 0.000 -0.325) 1.847 15.604 ( -1.826 0.000 -2.999) 3.511 15.641 ( -1.649 0.000 1.795) 2.437 15.668 ( 0.542 0.000 -3.277) 3.321 15.709 ( -1.264 0.000 3.064) 3.315 15.757 ( 1.691 0.000 1.620) 2.341 15.780 ( -0.667 0.000 -11.215) 11.235 15.892 ( -3.545 0.000 -3.675) 5.106 16.099 ( 4.531 0.000 -1.610) 4.808 16.133 ( -2.131 0.000 0.356) 2.161 16.230 ( -2.320 0.000 4.344) 4.924 16.360 ( 4.108 0.000 -3.808) 5.602 16.386 ( -4.071 0.000 -11.752) 12.437 16.464 ( -1.088 0.000 2.114) 2.377 16.632 ( 1.228 0.000 -3.523) 3.731 16.779 ( -2.962 0.000 6.957) 7.561 16.943 ( 3.079 0.000 0.051) 3.080 16.943 ( 0.946 0.000 2.569) 2.738 17.017 ( 1.085 0.000 -4.462) 4.592 17.138 ( -3.288 0.000 -4.309) 5.420 17.181 ( 5.707 0.000 7.217) 9.201 17.309 ( -2.166 0.000 3.135) 3.810 17.434 ( -0.792 0.000 -1.004) 1.278 17.496 ( 0.011 0.000 0.172) 0.173 17.556 ( -11.444 0.000 -7.733) 13.812 17.586 ( -4.018 0.000 -1.673) 4.352 17.617 ( -0.544 0.000 -3.170) 3.216 17.904 ( 5.748 0.000 3.192) 6.575 18.349 ( -0.070 0.000 -0.375) 0.381 18.361 ( -0.261 0.000 0.373) 0.455 18.657 ( -1.016 0.000 -0.139) 1.025 18.763 ( 0.305 0.000 0.762) 0.820 19.465 ( -0.154 0.000 0.276) 0.316 19.490 ( 0.999 0.000 -0.625) 1.179 20.379 ( -1.718 0.000 -9.494) 9.648 20.846 ( -11.514 0.000 -20.479) 23.494 21.080 ( -1.301 0.000 6.745) 6.870 21.308 ( 0.041 0.000 -0.002) 0.041 21.472 ( -0.064 0.000 -1.127) 1.128 21.474 ( 17.942 0.000 28.076) 33.319 21.647 ( -0.560 0.000 4.685) 4.718 21.694 ( -1.902 0.000 -0.093) 1.905 21.904 ( 4.809 0.000 7.176) 8.639 21.989 ( 0.802 0.000 -0.358) 0.878 22.042 ( 1.134 0.000 8.506) 8.581 22.045 ( 2.191 0.000 -1.223) 2.509 22.275 ( 6.317 0.000 3.993) 7.473 22.303 ( -0.654 0.000 -0.076) 0.659 22.336 ( -0.527 0.000 0.999) 1.129 22.405 ( -4.442 0.000 -5.028) 6.710 22.430 ( 3.993 0.000 1.265) 4.189 22.555 ( -1.004 0.000 0.628) 1.184 22.793 ( 4.336 0.000 7.908) 9.019 22.915 ( 1.050 0.000 0.273) 1.085 22.934 ( 0.508 0.000 -1.911) 1.977 23.022 ( -0.950 0.000 3.081) 3.224 23.031 ( 9.154 0.000 -2.413) 9.466 23.117 ( -3.380 0.000 -3.067) 4.564 23.769 ( -12.041 0.000 -33.453) 35.554 23.911 ( 0.090 0.000 9.230) 9.231 ======================= Grid point 70 (28/75) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -2.381 28.544 12.930) 31.426 1.011 ( -2.070 27.581 23.636) 36.382 1.726 ( 11.612 22.954 9.658) 27.477 1.782 ( 5.464 22.035 4.257) 23.098 2.084 ( 2.702 11.276 -32.104) 34.134 2.797 ( -16.850 -3.047 25.434) 30.661 3.149 ( -0.518 3.557 24.752) 25.012 3.415 ( -6.457 10.204 -27.157) 29.721 3.488 ( 5.225 6.169 -11.577) 14.120 3.602 ( 10.953 4.838 -9.687) 15.402 3.783 ( -3.327 -0.517 -0.198) 3.373 3.848 ( -2.200 -2.358 -6.483) 7.241 3.912 ( 2.580 -2.738 -1.032) 3.902 4.025 ( -3.363 1.092 -2.464) 4.310 4.150 ( -4.955 6.204 0.730) 7.973 4.276 ( -0.635 1.234 -2.780) 3.107 4.366 ( -2.683 -1.364 1.325) 3.289 4.507 ( -0.404 2.629 -3.909) 4.728 4.581 ( 4.987 1.518 9.264) 10.630 4.730 ( -0.566 -4.140 2.150) 4.699 4.780 ( 9.755 7.035 5.005) 13.027 5.024 ( -4.433 4.089 -8.884) 10.738 5.260 ( -1.739 1.060 -2.984) 3.613 5.284 ( 6.805 5.020 5.094) 9.872 5.543 ( 1.675 -12.507 0.733) 12.640 5.586 ( -2.938 -4.022 2.561) 5.600 5.728 ( -0.593 -3.058 5.559) 6.372 5.796 ( 1.597 -0.322 9.656) 9.792 5.929 ( 1.779 -14.932 -0.323) 15.041 6.041 ( -3.104 -6.604 1.340) 7.419 6.130 ( 2.783 3.285 -4.170) 5.994 6.229 ( -8.136 5.391 -16.232) 18.940 6.532 ( 7.159 -4.303 -2.403) 8.692 6.558 ( -10.753 -3.906 -6.302) 13.062 6.733 ( 9.126 1.600 2.316) 9.550 6.840 ( 4.777 2.625 5.291) 7.597 6.958 ( -14.736 -0.811 -1.773) 14.864 7.044 ( 5.209 -1.222 -6.162) 8.161 7.343 ( 12.039 -7.131 0.897) 14.021 7.411 ( 8.902 -8.582 3.846) 12.949 7.424 ( -8.287 0.217 -2.028) 8.534 7.491 ( -0.418 -5.934 -2.324) 6.387 7.647 ( 0.923 -3.134 -2.232) 3.957 7.753 ( -6.517 -3.342 1.171) 7.417 7.846 ( 3.636 6.404 4.069) 8.413 7.879 ( -10.769 2.701 5.600) 12.434 7.959 ( 1.205 0.679 -1.126) 1.784 8.048 ( 4.465 -10.304 8.457) 14.058 8.158 ( -4.144 -6.883 -3.839) 8.905 8.300 ( -3.746 -4.783 0.557) 6.101 8.372 ( 5.375 1.722 0.142) 5.646 8.432 ( 6.768 -4.797 -3.474) 8.994 8.488 ( -2.828 -1.547 3.684) 4.895 8.565 ( 0.223 -1.660 5.159) 5.424 8.708 ( 8.091 -4.223 -2.507) 9.465 8.908 ( 1.006 3.970 -7.550) 8.589 8.959 ( 1.633 5.982 -0.150) 6.202 9.004 ( -3.567 1.577 -0.571) 3.942 9.137 ( -11.158 0.650 -1.268) 11.248 9.168 ( 2.394 4.162 -4.410) 6.519 9.322 ( -0.611 4.397 3.458) 5.627 9.420 ( -1.326 1.803 4.317) 4.862 9.517 ( -10.574 -8.391 9.921) 16.753 9.583 ( -4.849 -4.064 4.290) 7.644 9.677 ( 5.513 -2.490 4.584) 7.590 9.740 ( 5.051 4.723 1.847) 7.158 9.781 ( 2.464 -1.430 -2.732) 3.947 10.020 ( 5.197 2.221 -6.170) 8.367 10.083 ( -2.611 -3.457 -1.016) 4.450 10.125 ( 4.593 -0.235 -0.932) 4.692 10.189 ( -4.244 3.586 -0.238) 5.561 10.330 ( -2.585 -2.710 -3.199) 4.925 10.367 ( -0.098 1.242 -3.781) 3.981 10.422 ( -6.305 5.565 0.338) 8.416 10.553 ( 0.133 -3.243 0.636) 3.308 10.639 ( 7.078 -6.715 -1.373) 9.853 10.745 ( -2.918 -3.192 -3.209) 5.385 10.800 ( 3.067 -2.223 3.110) 4.901 10.827 ( 3.476 0.135 5.050) 6.132 10.896 ( -2.551 5.811 1.954) 6.640 10.960 ( 1.269 -4.914 4.604) 6.853 11.077 ( -0.509 0.688 1.844) 2.032 11.116 ( -2.306 3.052 -6.638) 7.661 11.180 ( 0.107 -0.087 -4.623) 4.625 11.292 ( -2.553 -3.247 -5.051) 6.525 11.443 ( -5.671 -4.008 0.492) 6.962 11.486 ( -4.786 -5.236 -2.130) 7.407 11.611 ( 7.170 -5.870 1.768) 9.434 11.673 ( 1.340 0.865 -4.881) 5.135 11.736 ( 2.335 -3.308 -3.280) 5.210 11.898 ( 2.986 -4.133 5.707) 7.653 12.074 ( 0.235 2.310 -2.513) 3.422 12.219 ( -3.512 -10.117 2.308) 10.956 12.320 ( -1.070 -4.391 -1.597) 4.794 12.430 ( -2.765 -0.187 -0.737) 2.868 12.500 ( -0.380 -1.042 -3.597) 3.764 12.616 ( -2.161 -5.359 2.796) 6.419 12.724 ( 2.455 -0.125 -2.629) 3.599 12.814 ( 1.291 10.221 1.371) 10.393 12.915 ( -1.169 5.691 -1.566) 6.017 12.977 ( 2.404 8.085 0.775) 8.470 13.059 ( -0.914 4.223 0.015) 4.320 13.170 ( 5.269 3.339 8.085) 10.212 13.381 ( -2.898 0.196 4.483) 5.342 13.491 ( -3.729 2.850 -1.441) 4.909 13.593 ( -4.301 4.931 -7.315) 9.815 13.760 ( 7.377 9.530 -5.169) 13.113 14.011 ( -2.367 -3.787 -5.491) 7.078 14.087 ( -4.875 -0.663 -0.326) 4.931 14.170 ( 0.855 2.487 -8.422) 8.823 14.326 ( -10.642 -4.773 0.293) 11.667 14.382 ( 3.415 0.116 -5.584) 6.547 14.436 ( 0.330 0.312 4.716) 4.738 14.519 ( -0.100 -1.817 1.143) 2.149 14.651 ( -7.242 4.229 -1.343) 8.494 14.727 ( -2.259 9.501 -2.739) 10.142 14.941 ( -4.808 4.058 8.126) 10.277 15.124 ( 3.296 -1.246 -1.061) 3.680 15.279 ( 2.218 1.133 1.206) 2.767 15.338 ( -1.482 0.581 -0.748) 1.758 15.357 ( -0.427 4.746 2.330) 5.305 15.444 ( 6.834 4.160 0.480) 8.015 15.625 ( -0.031 0.416 1.901) 1.946 15.646 ( 0.454 1.608 3.912) 4.254 15.695 ( 1.663 1.384 -1.071) 2.414 15.737 ( 0.560 2.634 0.801) 2.810 15.816 ( -4.535 2.527 -2.540) 5.780 15.863 ( 1.186 1.370 -2.674) 3.230 16.094 ( 1.471 -1.608 1.863) 2.867 16.169 ( 0.976 2.437 -2.101) 3.363 16.198 ( -0.295 -4.528 5.524) 7.149 16.259 ( -1.594 1.882 2.763) 3.704 16.365 ( 2.470 -0.711 -1.896) 3.194 16.431 ( 1.210 0.542 -3.572) 3.811 16.676 ( 1.384 0.066 13.657) 13.727 16.778 ( -2.001 1.707 2.421) 3.575 16.877 ( -0.788 0.786 2.314) 2.568 16.991 ( 0.718 -0.810 0.802) 1.347 17.070 ( 0.770 -1.403 -3.298) 3.666 17.084 ( -0.406 -2.157 -5.898) 6.293 17.247 ( 3.036 -1.418 -0.279) 3.363 17.354 ( 2.574 -1.641 -2.656) 4.046 17.359 ( -3.267 2.405 2.707) 4.877 17.434 ( -1.050 -1.681 0.161) 1.989 17.451 ( 0.241 0.431 -1.433) 1.515 17.515 ( -2.297 1.979 -3.402) 4.557 17.771 ( 8.387 -8.229 10.433) 15.713 17.911 ( -1.340 -4.484 -0.044) 4.680 18.381 ( -0.602 1.613 0.253) 1.740 18.384 ( 0.623 2.499 0.059) 2.576 18.663 ( 0.783 -2.137 2.873) 3.665 18.786 ( 1.055 -0.591 -3.844) 4.030 19.503 ( 0.852 0.854 -0.088) 1.209 19.534 ( 0.613 2.555 -2.270) 3.472 20.011 ( -16.268 -6.717 7.361) 19.078 20.254 ( 5.184 -6.958 -6.123) 10.620 21.095 ( -1.814 -1.177 6.664) 7.006 21.149 ( 4.785 -15.498 18.554) 24.645 21.289 ( 1.517 0.318 -3.009) 3.385 21.434 ( 0.902 -6.513 -0.761) 6.619 21.589 ( -0.343 -1.598 -0.007) 1.634 21.696 ( -0.424 -5.511 -0.390) 5.541 21.958 ( -0.413 -2.954 0.411) 3.011 22.007 ( 1.532 -1.995 2.992) 3.909 22.053 ( 0.514 0.317 -2.511) 2.583 22.151 ( -0.426 -3.361 -1.133) 3.572 22.264 ( -3.257 1.013 -2.305) 4.117 22.326 ( -1.207 2.863 -3.280) 4.518 22.448 ( 5.865 -0.009 2.828) 6.511 22.488 ( -3.022 2.970 -0.380) 4.254 22.583 ( 0.904 4.688 2.682) 5.476 22.603 ( -0.597 6.545 0.551) 6.596 22.798 ( 0.254 2.063 -0.658) 2.180 22.861 ( -5.098 -0.333 -1.524) 5.331 23.030 ( 1.589 5.394 5.235) 7.683 23.082 ( 3.808 6.393 1.587) 7.609 23.099 ( -3.217 5.700 1.344) 6.681 23.360 ( 5.729 10.490 -7.272) 13.990 23.910 ( -9.212 4.798 10.182) 14.545 24.551 ( 11.346 15.783 -27.575) 33.738 ======================= Grid point 71 (29/75) ======================= q-point: ( 0.14 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 22.843 22.024 9.787) 33.206 1.345 ( 12.569 16.110 25.957) 33.035 1.757 ( 15.362 3.244 -30.060) 33.913 1.902 ( 8.304 14.878 -31.791) 36.069 2.411 ( 18.860 26.839 47.288) 57.552 2.730 ( -13.758 1.324 23.356) 27.140 3.053 ( 11.465 20.954 -38.186) 45.041 3.400 ( 2.882 0.659 21.314) 21.518 3.453 ( -4.207 2.463 -15.211) 15.973 3.589 ( -13.495 2.262 4.383) 14.368 3.673 ( -9.360 -3.245 -6.624) 11.916 3.737 ( -8.889 -5.795 2.623) 10.931 3.836 ( -2.462 5.620 -11.080) 12.666 3.925 ( -0.209 2.573 1.403) 2.939 4.113 ( -0.235 4.875 3.777) 6.171 4.180 ( -9.699 4.933 -2.363) 11.135 4.209 ( -4.698 -0.105 -0.578) 4.735 4.366 ( -9.694 5.386 -0.188) 11.091 4.726 ( 0.604 -2.954 1.226) 3.255 4.819 ( 3.765 -3.839 -2.099) 5.772 4.978 ( 10.308 2.291 -2.994) 10.976 5.004 ( 4.447 0.935 1.044) 4.663 5.220 ( 4.938 3.347 -0.784) 6.017 5.374 ( -10.277 -0.431 -3.814) 10.971 5.518 ( -6.226 -9.130 7.257) 13.220 5.577 ( 5.159 -6.236 0.367) 8.102 5.708 ( -4.943 -10.937 1.382) 12.081 5.806 ( -5.201 3.825 -0.999) 6.533 5.851 ( -5.437 1.004 2.734) 6.168 5.961 ( 0.020 5.862 4.427) 7.346 6.143 ( -1.602 1.359 -0.123) 2.104 6.213 ( -1.887 -7.825 -11.630) 14.144 6.355 ( 3.979 -8.870 7.269) 12.138 6.548 ( -11.226 -2.892 -8.556) 14.408 6.620 ( -1.434 -0.293 -3.515) 3.808 6.780 ( -4.550 1.662 3.134) 5.770 6.933 ( -1.628 1.060 1.406) 2.398 7.078 ( -19.851 -3.212 -2.174) 20.226 7.204 ( -1.873 3.562 -0.146) 4.027 7.337 ( 0.185 -1.419 2.091) 2.533 7.421 ( -4.150 -5.788 -0.868) 7.174 7.589 ( -7.065 -1.551 1.509) 7.389 7.680 ( 5.316 -7.972 1.125) 9.648 7.745 ( 4.967 -2.007 -8.994) 10.469 7.768 ( 3.810 -5.113 5.707) 8.558 7.962 ( -4.585 -6.633 -4.147) 9.067 8.021 ( 5.524 3.729 6.205) 9.105 8.071 ( 5.013 -1.168 3.957) 6.493 8.181 ( -0.135 -4.122 2.586) 4.868 8.250 ( 0.248 -6.532 -0.676) 6.572 8.441 ( -0.684 -3.483 -3.728) 5.147 8.474 ( 0.856 -1.945 5.143) 5.565 8.571 ( 2.242 -2.486 1.003) 3.495 8.587 ( 2.378 -5.867 -2.186) 6.697 8.748 ( -3.750 3.930 -4.130) 6.824 8.810 ( 0.614 -1.440 -4.974) 5.214 8.905 ( 0.884 1.385 0.105) 1.647 8.939 ( -1.086 -1.784 -4.007) 4.518 9.063 ( -2.135 -1.868 3.250) 4.314 9.132 ( -4.767 9.565 -0.734) 10.712 9.298 ( -7.695 -0.442 4.360) 8.855 9.392 ( -8.052 -1.828 6.156) 10.299 9.472 ( -1.393 -3.061 2.915) 4.450 9.521 ( -4.534 1.804 3.664) 6.102 9.719 ( -3.324 -1.066 1.808) 3.931 9.764 ( -4.771 6.176 -0.194) 7.806 9.817 ( 2.139 -1.926 -2.533) 3.834 9.878 ( -3.531 5.941 -7.188) 9.972 10.032 ( -0.666 -3.411 8.137) 8.848 10.161 ( -7.175 1.685 -3.074) 7.986 10.193 ( 0.303 -0.039 -4.956) 4.965 10.264 ( 2.074 1.595 4.128) 4.887 10.320 ( 1.632 -2.265 -1.781) 3.311 10.399 ( 0.860 -1.764 -1.114) 2.256 10.538 ( -4.980 2.846 1.884) 6.037 10.635 ( -7.610 -3.894 7.777) 11.556 10.673 ( -0.374 -3.894 -2.529) 4.658 10.797 ( -3.869 0.146 -0.281) 3.882 10.834 ( -3.947 6.608 -1.377) 7.819 10.946 ( 1.654 2.749 -4.394) 5.440 10.972 ( -0.842 -6.252 0.162) 6.311 11.029 ( 1.378 -0.754 -0.438) 1.630 11.101 ( 6.757 -3.583 1.368) 7.770 11.176 ( -1.680 3.768 1.758) 4.485 11.349 ( 8.664 4.242 -8.214) 12.670 11.392 ( 4.423 -0.970 -1.424) 4.747 11.425 ( 2.909 -8.133 7.765) 11.614 11.717 ( 6.849 -3.592 1.320) 7.846 11.762 ( 7.246 -5.015 3.813) 9.601 11.968 ( 2.006 -4.293 1.687) 5.030 11.993 ( 13.024 -3.119 -11.306) 17.526 12.122 ( 7.025 0.221 1.993) 7.306 12.252 ( 2.809 -9.746 0.403) 10.150 12.315 ( 5.667 -0.775 -0.937) 5.796 12.454 ( 2.795 -0.357 3.669) 4.626 12.549 ( 4.442 -1.681 1.103) 4.876 12.608 ( 3.374 -4.735 -1.554) 6.018 12.753 ( 3.646 3.160 -1.517) 5.058 12.806 ( -4.485 6.383 -1.231) 7.898 12.900 ( 0.923 6.082 0.528) 6.174 12.992 ( -1.032 3.206 -3.046) 4.541 13.057 ( 3.833 5.438 0.900) 6.713 13.203 ( -7.385 3.552 -2.151) 8.472 13.360 ( 1.749 3.808 6.365) 7.621 13.469 ( 2.374 2.406 1.685) 3.777 13.573 ( 3.292 -0.236 -1.051) 3.463 13.805 ( -0.967 3.783 1.338) 4.128 13.888 ( -3.451 3.270 -9.109) 10.276 14.000 ( -2.541 -1.085 0.761) 2.866 14.070 ( -4.418 3.923 0.602) 5.939 14.274 ( 1.355 -2.361 -4.049) 4.879 14.420 ( -2.226 0.416 2.318) 3.241 14.492 ( 4.286 3.723 3.415) 6.625 14.616 ( 2.526 -1.441 2.724) 3.985 14.677 ( 9.109 -3.610 0.295) 9.803 14.812 ( 11.222 6.103 3.292) 13.192 14.960 ( -2.026 1.589 4.934) 5.565 15.181 ( 3.974 -1.153 -1.542) 4.416 15.269 ( -3.420 2.548 -1.269) 4.450 15.340 ( 2.347 0.416 2.063) 3.152 15.381 ( 1.229 5.329 2.363) 5.958 15.543 ( 5.734 1.834 -3.400) 6.914 15.656 ( 3.108 0.887 -2.081) 3.844 15.667 ( -2.206 1.598 -0.041) 2.724 15.714 ( 0.974 2.297 -1.616) 2.972 15.738 ( 0.411 2.640 2.758) 3.840 15.801 ( 3.297 2.821 1.169) 4.493 15.860 ( 1.400 1.800 -2.041) 3.060 16.060 ( -3.809 -0.495 -0.066) 3.842 16.148 ( -0.609 0.857 -0.642) 1.232 16.219 ( 0.978 1.958 -1.329) 2.561 16.290 ( -0.592 1.493 3.885) 4.204 16.363 ( -1.005 2.451 -0.407) 2.680 16.464 ( 6.794 0.136 -6.580) 9.459 16.696 ( -6.594 1.612 1.742) 7.008 16.816 ( -0.237 -3.674 8.271) 9.053 16.897 ( 0.113 1.060 2.307) 2.542 16.973 ( -3.119 -2.992 -3.451) 5.530 17.038 ( 2.446 -1.059 -2.294) 3.517 17.142 ( 8.170 -2.580 -3.403) 9.219 17.257 ( -1.396 -3.772 0.056) 4.023 17.324 ( -1.612 -0.966 0.611) 1.976 17.393 ( -1.301 -0.447 1.488) 2.026 17.427 ( 1.493 -1.699 0.801) 2.399 17.442 ( 1.652 1.686 -2.351) 3.331 17.510 ( 3.095 1.267 -0.207) 3.350 17.804 ( -7.203 -4.626 -2.924) 9.046 17.914 ( 0.657 -7.091 1.937) 7.380 18.373 ( -0.368 1.799 0.032) 1.837 18.399 ( 0.763 2.496 0.078) 2.611 18.688 ( -0.483 -2.347 1.155) 2.660 18.754 ( -0.947 -1.674 -1.971) 2.754 19.493 ( -1.081 1.465 -0.666) 1.939 19.539 ( 1.750 2.369 -0.948) 3.094 19.979 ( 1.240 -3.941 5.163) 6.612 20.385 ( 12.982 -7.864 -0.756) 15.197 21.117 ( -1.705 -0.321 6.632) 6.855 21.289 ( 2.531 -2.906 -0.376) 3.873 21.366 ( 4.667 -12.298 4.450) 13.886 21.427 ( 1.124 -11.419 -5.222) 12.607 21.605 ( -0.534 -2.848 3.849) 4.818 21.645 ( -2.715 -5.601 -3.232) 7.013 21.958 ( -0.826 -1.435 1.811) 2.454 22.021 ( -2.401 -0.731 -1.630) 2.993 22.047 ( -0.553 -1.279 -1.494) 2.043 22.114 ( 0.961 -1.811 0.383) 2.086 22.214 ( -2.901 1.508 2.253) 3.971 22.321 ( 2.173 1.148 0.309) 2.477 22.393 ( -4.693 2.601 -1.726) 5.636 22.497 ( -5.154 3.317 -0.693) 6.168 22.567 ( -1.431 4.277 0.993) 4.618 22.634 ( 0.454 8.471 1.122) 8.557 22.754 ( -1.703 3.367 0.879) 3.874 22.856 ( 2.063 0.694 1.217) 2.494 23.030 ( -2.207 9.568 1.271) 9.901 23.099 ( 2.575 3.904 1.079) 4.799 23.122 ( -1.053 8.538 -1.640) 8.757 23.390 ( 4.557 0.044 -7.644) 8.899 23.762 ( -15.622 18.029 10.626) 26.116 24.357 ( -7.416 6.393 -15.347) 18.204 ======================= Grid point 72 (30/75) ======================= q-point: ( 0.29 0.11 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 16.379 13.508 -20.176) 29.288 1.741 ( 32.411 13.681 3.421) 35.346 1.841 ( 18.295 8.360 7.178) 21.357 1.968 ( 22.616 8.448 -7.113) 25.168 2.757 ( -2.926 1.711 15.838) 16.196 3.023 ( -7.184 7.642 -17.495) 20.398 3.106 ( 9.179 11.725 1.965) 15.020 3.193 ( 8.139 16.644 9.566) 20.851 3.245 ( -18.524 -3.950 -3.188) 19.207 3.325 ( -22.053 5.215 10.065) 24.796 3.538 ( -6.977 7.599 5.027) 11.476 3.660 ( 1.548 3.029 2.582) 4.271 3.743 ( 2.775 0.303 -13.338) 13.627 3.887 ( -1.361 6.132 -6.178) 8.811 4.035 ( -7.463 1.366 3.419) 8.322 4.166 ( -2.033 6.862 10.699) 12.872 4.200 ( 1.574 -1.556 0.368) 2.244 4.336 ( 3.930 6.120 2.941) 7.845 4.667 ( -3.016 -2.610 -5.556) 6.839 4.763 ( -3.783 0.515 -4.256) 5.717 4.915 ( -18.558 0.684 -5.506) 19.369 5.004 ( -1.080 -1.578 -5.322) 5.655 5.180 ( 6.614 -0.152 2.973) 7.253 5.391 ( 1.862 1.320 2.595) 3.456 5.472 ( -5.188 -13.180 4.888) 14.983 5.616 ( -3.293 -5.139 2.656) 6.657 5.636 ( -7.958 -1.615 -4.065) 9.081 5.767 ( 9.034 -1.402 3.820) 9.908 5.877 ( 2.245 -0.869 -5.925) 6.395 5.972 ( -7.083 3.104 -4.024) 8.718 6.027 ( -1.618 1.196 3.783) 4.285 6.082 ( -4.311 0.040 6.254) 7.596 6.270 ( -6.434 5.085 -12.294) 14.778 6.591 ( -2.196 5.075 2.019) 5.887 6.623 ( 0.527 -10.246 7.871) 12.931 6.660 ( -4.433 -0.815 2.944) 5.384 6.772 ( -10.657 -5.562 -0.348) 12.027 6.903 ( 0.726 1.130 -0.197) 1.357 7.012 ( -11.670 -5.350 0.498) 12.847 7.306 ( -6.592 -5.546 0.448) 8.626 7.425 ( -3.535 -7.240 3.155) 8.653 7.461 ( -4.289 1.296 -3.797) 5.873 7.660 ( 0.390 -1.224 1.072) 1.673 7.799 ( -2.796 -6.607 -0.732) 7.212 7.873 ( 1.804 -7.072 -2.940) 7.868 7.947 ( 6.597 0.160 -3.186) 7.327 8.062 ( 1.394 0.747 -2.151) 2.670 8.129 ( 0.140 -3.986 -3.230) 5.132 8.190 ( 2.435 -7.666 2.239) 8.349 8.255 ( -1.396 -7.003 1.567) 7.310 8.374 ( -4.016 -1.794 2.615) 5.118 8.538 ( -7.533 -10.700 0.980) 13.122 8.545 ( 8.527 -5.613 -3.840) 10.907 8.650 ( 4.603 -2.668 -1.911) 5.653 8.691 ( -3.110 4.238 -1.478) 5.461 8.783 ( 1.287 2.662 -0.388) 2.982 8.863 ( -7.342 -5.291 -1.738) 9.215 8.902 ( -2.418 2.785 1.697) 4.061 9.033 ( 5.035 -3.775 -3.783) 7.342 9.115 ( -3.130 3.946 -1.261) 5.192 9.166 ( -3.080 4.173 2.662) 5.830 9.351 ( -3.934 -2.273 7.665) 8.911 9.412 ( -2.316 -2.016 2.368) 3.877 9.523 ( -6.505 1.076 5.596) 8.648 9.605 ( -7.311 3.560 -1.521) 8.273 9.669 ( -1.245 -2.055 0.284) 2.420 9.794 ( -0.631 -0.371 -1.870) 2.008 9.904 ( 6.142 4.226 -3.583) 8.271 10.022 ( -2.603 0.567 -2.501) 3.654 10.121 ( -2.085 -1.828 4.411) 5.211 10.185 ( -0.007 2.823 -2.831) 3.998 10.239 ( -0.646 -10.083 0.969) 10.150 10.320 ( -1.087 -2.437 -2.102) 3.397 10.429 ( 1.593 1.789 3.322) 4.096 10.461 ( -6.118 5.350 6.934) 10.683 10.561 ( -7.676 -3.123 1.690) 8.457 10.702 ( -0.701 4.372 1.384) 4.639 10.755 ( 2.479 7.518 4.211) 8.967 10.805 ( -5.045 4.701 -4.544) 8.258 10.891 ( 3.130 0.562 -3.803) 4.958 10.924 ( -0.404 -4.320 -1.869) 4.724 11.002 ( -0.006 -1.538 -4.168) 4.443 11.158 ( 0.221 5.581 -3.561) 6.624 11.225 ( 4.668 -1.622 3.006) 5.784 11.437 ( 3.814 -1.684 1.030) 4.294 11.535 ( 11.423 1.696 0.527) 11.560 11.659 ( 7.138 -4.281 6.914) 10.821 11.748 ( -1.170 -0.875 -2.918) 3.264 11.948 ( 7.939 -4.702 0.357) 9.234 12.006 ( 5.106 -5.168 -7.680) 10.572 12.117 ( 8.809 -5.616 4.018) 11.193 12.228 ( 4.837 -6.382 -0.095) 8.008 12.357 ( 5.724 -6.406 1.984) 8.817 12.417 ( 3.407 0.531 0.125) 3.450 12.502 ( 1.479 -2.819 3.925) 5.053 12.572 ( -3.539 -2.209 -2.741) 4.992 12.713 ( 2.308 4.039 2.921) 5.493 12.753 ( 4.733 0.491 -0.542) 4.789 12.843 ( 1.793 4.589 -1.457) 5.138 12.886 ( 1.201 0.543 -2.591) 2.907 12.963 ( -0.181 -1.558 -1.969) 2.517 13.035 ( -0.244 5.167 -4.624) 6.938 13.189 ( 6.267 3.520 0.154) 7.189 13.422 ( 1.008 5.438 2.996) 6.290 13.541 ( 3.944 -2.498 -0.823) 4.741 13.650 ( 3.247 1.677 2.946) 4.694 13.721 ( -2.928 6.481 -5.930) 9.260 13.839 ( -2.662 -1.042 6.423) 7.030 13.946 ( -3.616 2.845 -1.330) 4.790 14.029 ( -1.942 2.851 2.102) 4.040 14.263 ( 1.233 -0.901 -1.346) 2.036 14.400 ( -1.906 3.339 0.365) 3.862 14.534 ( -2.946 4.670 4.059) 6.853 14.744 ( 7.298 -2.635 1.738) 7.952 14.783 ( 6.338 -0.108 -2.124) 6.686 14.966 ( -0.180 -2.436 1.877) 3.080 15.073 ( 6.003 1.873 4.568) 7.773 15.190 ( 0.141 -6.645 -2.526) 7.111 15.255 ( -0.353 6.532 4.453) 7.913 15.380 ( 1.782 1.046 -0.273) 2.085 15.469 ( 4.853 0.440 4.400) 6.565 15.556 ( 0.305 1.503 -6.352) 6.534 15.632 ( -0.294 2.367 -1.306) 2.720 15.687 ( 3.011 0.653 -3.303) 4.516 15.726 ( 1.049 2.369 0.762) 2.700 15.806 ( 0.961 -0.423 -1.090) 1.513 15.810 ( -1.807 4.665 0.814) 5.068 15.898 ( 3.762 3.244 3.165) 5.890 16.041 ( 1.065 0.281 0.529) 1.222 16.163 ( 1.634 3.346 1.425) 3.987 16.203 ( -0.707 3.842 -1.345) 4.131 16.298 ( 0.609 -0.018 0.460) 0.763 16.379 ( 0.769 1.333 5.857) 6.056 16.494 ( 2.923 -0.407 -8.554) 9.049 16.623 ( -2.215 2.154 2.350) 3.882 16.779 ( -7.148 -1.683 1.043) 7.417 16.826 ( -3.428 0.861 -7.361) 8.166 16.969 ( 0.969 -0.074 3.700) 3.825 17.110 ( 6.216 -3.364 -0.951) 7.132 17.179 ( -4.066 -3.782 -4.780) 7.327 17.244 ( 4.986 -4.388 -1.562) 6.823 17.298 ( -2.870 0.572 2.109) 3.607 17.368 ( -2.044 -2.498 0.626) 3.288 17.468 ( 2.628 -1.822 3.037) 4.410 17.506 ( 3.181 -0.785 1.197) 3.489 17.564 ( 1.420 -0.505 0.400) 1.560 17.664 ( -3.073 -2.129 -2.715) 4.620 17.897 ( -1.426 -3.849 -2.046) 4.586 18.371 ( 0.059 2.121 0.128) 2.125 18.410 ( 0.510 2.339 -0.258) 2.407 18.683 ( 0.024 -1.424 -0.476) 1.502 18.722 ( -1.776 -1.870 0.108) 2.581 19.471 ( -0.807 1.661 -0.344) 1.879 19.560 ( 1.749 2.521 -1.690) 3.503 20.064 ( 2.165 -4.524 6.140) 7.928 20.650 ( 12.291 -8.195 4.906) 15.566 21.175 ( 1.341 -1.787 7.865) 8.176 21.303 ( -0.448 -8.902 -8.001) 11.977 21.372 ( 3.038 -8.038 -9.963) 13.157 21.436 ( 0.643 -10.308 -1.748) 10.475 21.554 ( -1.181 -2.647 0.776) 3.000 21.650 ( -0.756 -5.859 3.620) 6.928 21.941 ( -2.200 0.095 -0.830) 2.353 21.955 ( -2.631 -1.580 0.796) 3.171 22.020 ( 0.063 2.022 -1.306) 2.408 22.139 ( -0.409 0.596 1.372) 1.551 22.202 ( -3.732 -0.204 1.811) 4.153 22.315 ( -3.953 3.625 1.743) 5.640 22.342 ( -4.674 6.256 -0.841) 7.854 22.397 ( 2.819 -0.223 2.630) 3.862 22.532 ( -2.315 6.040 -1.339) 6.605 22.605 ( -2.869 8.856 -2.220) 9.570 22.769 ( 1.023 3.601 1.228) 3.940 22.906 ( 2.496 3.348 1.026) 4.300 22.996 ( -2.710 7.447 0.493) 7.940 23.053 ( -2.662 9.512 -2.622) 10.219 23.198 ( 7.245 2.632 -2.297) 8.043 23.369 ( 1.844 4.208 -5.427) 7.110 23.649 ( -9.306 18.025 13.548) 24.394 24.073 ( -11.187 -1.014 -9.049) 14.425 ======================= Grid point 73 (31/75) ======================= q-point: ( 0.43 0.11 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 27.603 15.026 -14.899) 34.780 2.184 ( 26.121 5.533 -12.616) 29.531 2.354 ( 0.996 1.544 8.544) 8.739 2.380 ( 15.230 7.750 0.562) 17.098 2.573 ( -3.676 7.535 -7.712) 11.391 2.758 ( -12.263 0.759 4.130) 12.962 2.878 ( -9.138 1.539 14.210) 16.965 2.914 ( -18.147 5.818 11.394) 22.204 3.174 ( -11.089 9.561 3.446) 15.041 3.469 ( -0.167 10.328 -9.060) 13.740 3.584 ( 0.201 5.945 3.887) 7.106 3.642 ( 2.649 -2.348 -19.739) 20.054 3.703 ( 9.219 11.704 -6.333) 16.189 3.896 ( -3.146 5.094 -4.406) 7.434 4.002 ( 6.548 9.932 10.195) 15.667 4.192 ( -0.872 3.485 -0.017) 3.593 4.248 ( -3.984 0.795 10.301) 11.074 4.385 ( 0.519 3.180 4.971) 5.924 4.499 ( -5.978 3.359 -1.195) 6.960 4.634 ( -2.454 5.317 6.596) 8.820 4.791 ( 2.170 -3.460 -5.478) 6.833 5.105 ( 10.093 -5.756 -3.991) 12.286 5.177 ( -10.366 -2.589 1.644) 10.810 5.237 ( -10.080 -2.290 0.994) 10.385 5.437 ( -5.837 -4.391 3.637) 8.159 5.508 ( -1.890 1.763 2.275) 3.443 5.708 ( 12.399 -3.561 -1.883) 13.037 5.774 ( -1.073 -4.003 -4.601) 6.192 5.850 ( -3.557 3.683 -3.135) 6.004 5.927 ( -0.860 -0.687 1.296) 1.700 6.038 ( -0.548 2.698 -1.794) 3.286 6.082 ( -0.506 5.488 -2.904) 6.229 6.205 ( 5.547 1.418 8.406) 10.171 6.460 ( -5.974 -1.336 -2.573) 6.641 6.517 ( -7.103 -4.962 0.532) 8.681 6.689 ( -3.579 -3.070 1.662) 5.000 6.776 ( 3.940 -7.193 4.623) 9.414 6.823 ( -8.360 -4.755 1.917) 9.807 6.966 ( -0.354 -0.406 -3.333) 3.376 7.206 ( -3.274 -3.236 -2.262) 5.129 7.302 ( -3.466 -9.454 1.499) 10.181 7.405 ( -1.945 1.359 1.870) 3.022 7.655 ( 0.154 -1.734 -3.847) 4.222 7.746 ( 0.934 -4.554 -0.007) 4.649 7.955 ( 1.200 -4.264 -1.298) 4.616 7.990 ( 0.913 1.850 -0.042) 2.064 8.043 ( 3.687 -7.146 -7.796) 11.200 8.110 ( 0.566 -7.866 -1.644) 8.056 8.212 ( -1.146 -5.616 -4.028) 7.006 8.258 ( 0.073 -8.113 -1.192) 8.200 8.362 ( -2.462 -5.160 4.615) 7.347 8.387 ( -1.023 -6.372 6.126) 8.898 8.565 ( -2.912 -2.804 -3.629) 5.432 8.612 ( -0.310 -0.802 -2.242) 2.401 8.724 ( -3.190 5.270 8.798) 10.741 8.806 ( 1.904 -2.116 -2.299) 3.658 8.851 ( 2.800 -8.462 8.704) 12.458 9.005 ( 7.000 1.835 -4.220) 8.378 9.011 ( -0.133 -3.167 -0.867) 3.286 9.048 ( 1.221 -1.285 -2.235) 2.853 9.185 ( -0.118 6.689 1.993) 6.981 9.372 ( -2.976 -3.671 7.576) 8.929 9.408 ( -5.002 3.604 2.527) 6.663 9.458 ( 1.996 -7.098 0.643) 7.401 9.491 ( -4.320 -5.518 -1.419) 7.150 9.662 ( -0.305 -3.054 -1.520) 3.425 9.766 ( -2.699 3.038 0.092) 4.065 9.975 ( -4.477 -7.891 -0.686) 9.099 9.982 ( 4.588 8.222 3.447) 10.026 10.084 ( 3.102 6.660 -7.058) 10.188 10.103 ( -1.780 -3.223 -9.022) 9.745 10.250 ( 1.891 -2.605 -2.606) 4.141 10.330 ( -0.989 -2.508 2.853) 3.925 10.393 ( -6.752 -0.053 0.967) 6.822 10.457 ( 0.550 3.313 2.770) 4.354 10.531 ( -1.788 3.756 7.678) 8.733 10.600 ( -7.440 4.253 -2.426) 8.906 10.709 ( 1.541 12.092 -1.606) 12.295 10.780 ( -2.943 5.540 -3.027) 6.966 10.920 ( 3.118 -1.693 -2.942) 4.609 10.942 ( 2.083 2.938 -3.388) 4.945 11.052 ( 2.602 -6.728 6.726) 9.863 11.106 ( 0.696 6.892 -6.880) 9.763 11.317 ( 1.401 -0.093 2.649) 2.998 11.472 ( -1.682 -2.368 2.835) 4.059 11.655 ( -2.068 -0.044 -6.725) 7.036 11.728 ( 3.421 -0.124 3.268) 4.733 11.825 ( 9.340 -2.256 6.083) 11.372 11.950 ( -0.995 -1.558 -4.093) 4.491 12.116 ( 7.511 -4.142 1.275) 8.672 12.241 ( 2.058 -7.986 0.312) 8.253 12.313 ( 4.967 -3.882 -4.160) 7.553 12.373 ( -4.190 -4.343 -3.314) 6.885 12.450 ( -4.322 -3.112 -1.232) 5.466 12.505 ( 2.584 -1.649 1.709) 3.510 12.589 ( 3.100 1.081 -2.279) 3.996 12.687 ( -2.094 -2.718 0.063) 3.432 12.752 ( -0.397 0.981 1.186) 1.589 12.870 ( -0.099 -0.117 1.019) 1.030 12.934 ( -2.623 2.300 4.418) 5.629 13.007 ( 7.692 -1.325 4.857) 9.193 13.100 ( 5.883 7.440 1.408) 9.589 13.290 ( 4.274 -0.219 -1.270) 4.464 13.486 ( 4.052 2.492 1.475) 4.980 13.512 ( -4.778 0.811 -4.962) 6.936 13.659 ( -0.665 1.932 -1.488) 2.528 13.738 ( 3.531 1.970 5.272) 6.644 13.860 ( -1.234 -4.324 4.399) 6.290 13.885 ( -1.729 6.654 0.480) 6.892 14.005 ( -2.666 3.803 -0.561) 4.678 14.318 ( 2.002 -0.080 4.009) 4.482 14.373 ( 0.485 3.811 0.984) 3.966 14.481 ( -5.072 5.563 0.990) 7.592 14.847 ( 2.974 -0.156 2.403) 3.827 14.883 ( 4.061 1.018 -1.225) 4.362 14.939 ( -2.446 -4.794 -2.903) 6.115 15.110 ( -0.473 -0.911 -0.690) 1.237 15.201 ( 2.997 -5.277 -4.053) 7.298 15.247 ( -4.185 4.746 2.866) 6.946 15.416 ( 2.914 0.883 -1.257) 3.294 15.469 ( -1.683 1.503 -7.442) 7.777 15.550 ( -0.546 -2.839 -3.325) 4.406 15.644 ( 1.326 2.584 2.921) 4.119 15.692 ( -1.561 6.303 -0.993) 6.569 15.720 ( 2.549 -0.184 -0.664) 2.641 15.789 ( 0.148 3.639 0.557) 3.684 15.806 ( -0.017 1.898 -2.028) 2.777 15.965 ( -1.470 0.513 -0.326) 1.591 16.050 ( 1.317 3.773 -0.502) 4.028 16.131 ( -1.008 6.469 -0.765) 6.591 16.237 ( 0.196 1.184 1.733) 2.108 16.372 ( 0.887 -2.556 1.101) 2.921 16.441 ( 3.193 -0.655 -1.653) 3.654 16.492 ( 0.136 4.306 8.406) 9.446 16.607 ( -0.723 -1.032 -0.180) 1.273 16.701 ( -0.012 1.122 5.580) 5.692 16.769 ( 2.236 1.618 -5.499) 6.153 16.935 ( -3.749 1.980 -4.944) 6.513 17.131 ( 0.152 -7.299 -0.187) 7.303 17.152 ( -0.250 -2.633 -1.672) 3.129 17.294 ( 2.205 0.617 3.994) 4.604 17.311 ( 2.996 -1.940 0.293) 3.581 17.344 ( -3.214 -3.362 2.452) 5.258 17.521 ( 0.671 -1.068 -1.803) 2.200 17.527 ( -0.899 -2.716 0.280) 2.874 17.570 ( 1.122 -4.611 -0.124) 4.747 17.658 ( -0.081 -1.428 2.316) 2.722 17.854 ( 0.123 -2.250 -4.106) 4.684 18.376 ( 0.115 2.365 0.437) 2.408 18.412 ( 0.202 2.234 -0.635) 2.332 18.683 ( 0.058 -1.617 0.035) 1.619 18.696 ( -0.791 -1.156 -0.197) 1.414 19.463 ( -0.080 2.125 0.548) 2.196 19.562 ( 0.792 2.495 -3.059) 4.026 20.172 ( 1.015 -5.286 11.456) 12.657 20.833 ( 1.833 -7.932 5.190) 9.655 21.087 ( -5.277 -8.682 -17.682) 20.393 21.276 ( 3.334 -4.961 -4.419) 7.433 21.398 ( 5.441 -5.052 2.760) 7.921 21.447 ( 1.495 -1.603 1.522) 2.668 21.589 ( 1.388 -6.963 0.837) 7.149 21.649 ( -1.487 -9.502 1.808) 9.786 21.908 ( -1.350 1.972 0.807) 2.522 21.938 ( 0.139 -0.834 0.479) 0.972 22.003 ( -3.564 1.297 1.341) 4.023 22.085 ( -3.403 2.613 -4.771) 6.416 22.153 ( 0.708 3.025 0.685) 3.181 22.212 ( -3.916 6.872 0.120) 7.910 22.396 ( 0.660 2.674 1.010) 2.933 22.419 ( -0.575 0.832 1.060) 1.465 22.528 ( -0.158 8.440 -0.502) 8.457 22.543 ( 1.063 2.654 1.869) 3.415 22.790 ( 0.407 5.776 0.330) 5.800 22.910 ( -1.351 6.059 -4.313) 7.559 22.992 ( 1.030 5.652 3.415) 6.683 23.034 ( 0.489 8.886 4.382) 9.920 23.238 ( 3.317 9.219 -6.838) 11.947 23.404 ( 1.936 8.201 -3.251) 9.032 23.628 ( -6.424 6.331 10.719) 14.009 23.851 ( -3.527 -5.560 -4.582) 8.021 ======================= Grid point 74 (32/75) ======================= q-point: (-0.43 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -26.651 11.716 -13.443) 32.066 2.010 ( -28.621 8.083 -5.851) 30.311 2.283 ( 21.074 10.181 -5.297) 23.996 2.502 ( 13.025 3.069 -5.438) 14.445 2.752 ( -9.573 10.344 18.034) 22.888 2.785 ( 2.119 -1.544 3.720) 4.551 2.888 ( -12.002 9.381 11.616) 19.157 3.022 ( 14.302 1.971 -2.326) 14.624 3.129 ( -28.597 11.699 -2.250) 30.980 3.204 ( 17.663 0.465 14.539) 22.882 3.407 ( -10.604 2.143 -12.187) 16.297 3.564 ( 11.010 6.311 -16.865) 21.106 3.808 ( 4.044 5.261 -10.663) 12.559 3.903 ( 12.476 14.090 0.328) 18.822 4.016 ( -4.491 6.204 7.509) 10.726 4.296 ( 1.650 -3.606 6.053) 7.236 4.320 ( 1.699 1.834 8.678) 9.031 4.497 ( -6.014 3.399 4.077) 8.021 4.563 ( 7.691 -1.468 -4.704) 9.135 4.652 ( 5.290 2.908 4.726) 7.666 4.765 ( 8.235 -2.026 -4.664) 9.679 5.003 ( -4.767 -0.603 -0.470) 4.828 5.160 ( 3.441 2.922 -2.756) 5.289 5.290 ( 3.491 -6.322 1.806) 7.444 5.398 ( -5.075 -1.958 7.910) 9.600 5.533 ( 2.294 3.690 1.234) 4.517 5.673 ( -7.425 -1.059 -6.748) 10.089 5.782 ( 0.685 -2.028 -5.223) 5.644 5.834 ( 7.101 -1.751 1.434) 7.453 5.956 ( -0.071 0.334 1.770) 1.803 6.014 ( -0.209 8.004 0.663) 8.034 6.065 ( -1.072 3.748 0.135) 3.901 6.335 ( 2.386 -5.245 -2.796) 6.405 6.432 ( 9.781 -6.202 -0.397) 11.588 6.572 ( 2.890 -3.951 5.056) 7.037 6.583 ( -3.201 -1.973 -0.164) 3.764 6.713 ( -2.954 -2.341 1.461) 4.042 6.846 ( 3.389 1.422 -2.763) 4.598 6.960 ( 3.619 -10.255 5.842) 12.345 7.187 ( 4.876 -4.444 -6.926) 9.566 7.357 ( 2.467 -6.482 6.892) 9.778 7.448 ( 3.280 -1.762 2.470) 4.468 7.642 ( 2.570 5.954 -4.367) 7.818 7.703 ( -4.140 5.060 -5.707) 8.678 7.894 ( 0.229 -6.430 1.390) 6.582 8.025 ( -0.264 -0.965 -6.527) 6.603 8.029 ( 0.424 -3.737 0.379) 3.780 8.085 ( -2.314 -11.848 0.184) 12.073 8.166 ( -1.263 -12.721 -2.124) 12.959 8.232 ( 0.407 -15.146 -3.499) 15.551 8.406 ( -5.491 -6.308 3.936) 9.243 8.469 ( 3.628 -0.105 4.610) 5.868 8.523 ( 3.914 -0.981 -1.948) 4.480 8.623 ( 3.498 -2.955 -1.534) 4.829 8.727 ( -7.267 -5.402 -0.712) 9.082 8.780 ( 3.132 5.589 4.833) 8.025 8.938 ( 2.563 -7.339 -4.657) 9.062 9.039 ( 1.214 3.393 -2.651) 4.474 9.090 ( -1.865 -6.495 9.801) 11.905 9.110 ( 6.804 4.072 7.795) 11.119 9.211 ( 1.071 7.263 -3.007) 7.933 9.309 ( -4.932 -0.377 -2.615) 5.596 9.377 ( -0.189 1.370 3.917) 4.154 9.474 ( -0.763 -3.156 9.843) 10.365 9.524 ( 2.383 -8.608 -1.556) 9.066 9.628 ( 1.082 -4.519 -0.288) 4.655 9.759 ( 2.632 -1.006 -0.995) 2.988 9.885 ( -3.947 -3.121 -6.792) 8.453 9.928 ( -2.894 -3.077 -8.974) 9.919 10.070 ( -0.546 6.041 0.898) 6.131 10.102 ( 1.044 -2.271 -1.754) 3.054 10.246 ( 3.564 5.213 -4.637) 7.834 10.335 ( 1.238 -5.710 2.845) 6.499 10.393 ( 4.406 6.438 1.903) 8.030 10.492 ( -2.007 1.929 -0.708) 2.872 10.509 ( 0.624 4.369 5.941) 7.401 10.572 ( 0.282 1.627 5.464) 5.708 10.646 ( -4.993 6.919 -3.420) 9.192 10.777 ( 3.706 9.454 -2.502) 10.458 10.919 ( 1.145 2.936 -4.155) 5.215 10.959 ( 0.103 1.380 -2.498) 2.856 11.028 ( -0.439 0.779 -2.510) 2.664 11.147 ( 0.607 2.138 2.128) 3.077 11.306 ( -0.782 -3.210 -3.525) 4.831 11.478 ( -1.984 -3.031 6.813) 7.717 11.581 ( -0.905 0.959 -2.381) 2.722 11.758 ( -3.962 -0.111 3.809) 5.497 11.853 ( -3.313 -0.021 0.079) 3.314 12.017 ( -3.732 -4.795 -0.031) 6.076 12.128 ( -4.217 -3.312 -3.980) 6.678 12.250 ( -5.756 -5.815 -0.158) 8.183 12.271 ( 1.239 -4.015 2.330) 4.805 12.336 ( 0.337 -1.830 -3.188) 3.691 12.405 ( 2.340 -1.741 -2.833) 4.066 12.502 ( -1.743 -1.176 0.131) 2.107 12.559 ( 3.953 2.064 0.322) 4.472 12.712 ( -3.578 -3.126 2.434) 5.338 12.754 ( -2.316 -0.627 -1.634) 2.903 12.877 ( 2.707 0.151 3.383) 4.335 12.934 ( -0.137 -2.178 -2.155) 3.067 13.131 ( -2.773 -1.198 5.355) 6.148 13.206 ( 1.552 4.260 5.410) 7.058 13.296 ( -2.524 2.106 -0.520) 3.328 13.353 ( -5.143 3.697 -5.646) 8.485 13.560 ( 2.240 -3.011 0.342) 3.769 13.614 ( -2.687 -0.098 -1.986) 3.343 13.815 ( -5.995 -2.414 0.978) 6.537 13.916 ( 7.584 1.073 9.346) 12.083 13.924 ( 3.692 7.528 1.943) 8.607 13.958 ( 1.430 5.576 -2.067) 6.116 14.319 ( -1.762 3.871 -0.990) 4.366 14.401 ( -1.832 4.923 0.798) 5.313 14.505 ( 2.796 -2.238 12.224) 12.738 14.758 ( -6.568 -3.610 -9.497) 12.098 14.894 ( -3.407 -0.678 5.323) 6.356 14.956 ( 1.068 2.442 -1.249) 2.944 15.028 ( -4.853 1.501 -6.605) 8.332 15.153 ( -0.808 -4.004 -2.609) 4.846 15.268 ( 1.402 0.673 2.615) 3.042 15.353 ( -1.953 4.277 -5.013) 6.873 15.448 ( -3.819 -0.971 -2.751) 4.805 15.515 ( 6.316 1.661 -2.269) 6.914 15.649 ( -0.900 1.152 1.078) 1.816 15.693 ( 0.211 2.975 -0.965) 3.135 15.740 ( -1.381 5.899 -0.766) 6.106 15.800 ( 1.480 3.980 0.305) 4.257 15.816 ( 1.287 1.115 1.555) 2.305 15.912 ( 0.852 -0.106 -3.559) 3.661 16.037 ( -4.454 1.290 1.123) 4.771 16.152 ( 2.383 3.932 -0.628) 4.640 16.245 ( -0.585 2.196 1.592) 2.775 16.329 ( -1.027 -1.916 -1.941) 2.915 16.462 ( -4.590 4.191 5.088) 8.032 16.518 ( 0.443 1.564 4.789) 5.058 16.693 ( 1.914 -0.726 -2.290) 3.071 16.766 ( 0.449 -1.322 1.478) 2.033 16.808 ( 6.201 1.723 -0.838) 6.491 16.864 ( 2.219 2.342 -0.892) 3.347 17.045 ( -3.807 -4.831 -3.395) 7.025 17.191 ( 3.086 -5.950 -2.599) 7.189 17.272 ( -7.013 -1.659 2.006) 7.480 17.370 ( 1.792 -1.424 4.076) 4.674 17.405 ( 3.967 -0.494 3.149) 5.089 17.446 ( -3.745 -0.438 -3.267) 4.989 17.542 ( 0.182 -5.465 0.794) 5.526 17.582 ( 1.532 -3.864 -0.166) 4.160 17.664 ( -1.801 -1.367 2.422) 3.313 17.825 ( 1.027 -2.334 -5.210) 5.800 18.381 ( -0.190 2.205 0.687) 2.317 18.406 ( -0.037 2.426 -0.886) 2.583 18.674 ( -0.753 -1.812 -0.021) 1.963 18.702 ( 1.248 -0.911 -0.131) 1.551 19.477 ( 0.587 2.449 1.274) 2.822 19.536 ( 0.031 2.165 -3.507) 4.122 20.308 ( -1.142 -7.312 18.478) 19.905 20.717 ( -9.066 -11.176 -11.164) 18.213 20.982 ( 1.345 0.408 0.394) 1.460 21.222 ( 0.586 -6.165 -11.584) 13.136 21.490 ( 1.057 -1.408 1.142) 2.099 21.528 ( 1.707 -1.119 -0.373) 2.075 21.589 ( -0.609 -13.349 3.820) 13.898 21.622 ( -4.270 -10.079 0.645) 10.965 21.901 ( 0.124 3.747 1.145) 3.920 21.932 ( 0.851 -0.057 0.690) 1.097 22.005 ( 2.620 -0.439 -0.756) 2.762 22.047 ( 3.068 0.845 -2.878) 4.291 22.147 ( -1.766 7.531 0.901) 7.787 22.207 ( 3.080 4.986 -0.323) 5.869 22.383 ( -0.355 4.135 1.974) 4.596 22.410 ( -1.360 2.791 -0.642) 3.171 22.545 ( 0.715 2.772 2.170) 3.593 22.597 ( 1.532 3.699 -0.350) 4.019 22.781 ( -1.804 5.581 0.330) 5.874 22.873 ( 1.909 5.782 -3.432) 6.990 23.011 ( -1.985 8.260 4.820) 9.767 23.142 ( 3.494 11.399 5.613) 13.178 23.248 ( 4.702 10.331 -5.795) 12.744 23.275 ( -7.806 4.414 -7.276) 11.548 23.619 ( -3.443 -1.229 8.508) 9.260 23.921 ( 12.093 -0.353 -2.891) 12.439 ======================= Grid point 75 (33/75) ======================= q-point: (-0.29 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -24.709 20.655 -8.957) 33.427 1.454 ( -29.139 16.612 -1.391) 33.571 2.156 ( -16.524 6.739 -12.711) 21.910 2.406 ( -43.130 23.822 4.516) 49.478 2.729 ( -4.784 0.907 10.228) 11.327 2.762 ( -0.326 8.538 18.257) 20.157 2.823 ( 6.695 4.560 -17.763) 19.523 2.969 ( -0.287 8.038 7.212) 10.803 3.222 ( 23.532 -1.327 -1.863) 23.643 3.341 ( 12.829 -1.291 -8.012) 15.180 3.623 ( 12.268 -2.664 11.351) 16.924 3.722 ( 18.599 6.708 -9.437) 21.909 3.886 ( 5.819 1.407 -1.459) 6.162 4.014 ( 4.425 6.394 -2.891) 8.296 4.132 ( 4.275 10.577 10.223) 15.319 4.340 ( -7.515 2.093 11.556) 13.943 4.376 ( 0.446 -0.930 -2.411) 2.622 4.404 ( -6.487 -1.136 10.620) 12.496 4.511 ( -3.359 3.150 -10.499) 11.464 4.650 ( 3.968 -1.408 -9.326) 10.232 4.935 ( 3.975 3.956 -7.563) 9.415 5.102 ( 13.511 -1.830 -3.211) 14.008 5.157 ( -15.495 -3.157 -0.327) 15.816 5.275 ( 15.460 -0.337 -4.386) 16.073 5.389 ( -2.363 -6.574 7.401) 10.177 5.583 ( 0.059 -3.283 2.202) 3.953 5.623 ( 1.898 6.405 4.989) 8.338 5.728 ( -2.317 -0.243 -6.391) 6.803 5.845 ( -5.380 -0.035 2.419) 5.899 5.994 ( 3.759 7.407 4.796) 9.592 6.074 ( 3.640 -0.779 -5.135) 6.342 6.165 ( 9.277 -3.623 -2.904) 10.374 6.330 ( 4.569 2.808 -1.290) 5.515 6.523 ( 6.610 -4.688 1.306) 8.209 6.632 ( 11.121 -4.855 0.667) 12.153 6.715 ( -0.138 0.896 1.113) 1.436 6.781 ( 6.111 -6.132 7.091) 11.191 6.940 ( 4.872 -6.372 1.447) 8.150 7.135 ( 4.294 -9.354 -4.459) 11.216 7.194 ( 6.933 0.445 2.601) 7.419 7.482 ( 5.493 -4.532 2.549) 7.564 7.563 ( 4.803 0.092 3.097) 5.716 7.573 ( 1.560 -3.246 -7.056) 7.921 7.646 ( -4.802 4.716 1.789) 6.964 7.843 ( -3.465 0.419 -4.855) 5.979 7.966 ( 0.285 -10.376 -3.503) 10.955 8.035 ( -0.381 1.859 -2.774) 3.361 8.088 ( 0.724 -9.611 0.427) 9.648 8.115 ( -2.916 -13.420 2.423) 13.945 8.234 ( -0.960 -3.922 -3.028) 5.047 8.348 ( 0.211 -6.219 7.032) 9.390 8.479 ( -3.552 -4.019 -1.003) 5.456 8.569 ( 5.264 -4.588 -4.539) 8.328 8.619 ( -2.481 -1.224 0.189) 2.773 8.684 ( 2.894 2.531 2.577) 4.628 8.828 ( -13.568 -3.062 -2.913) 14.211 8.883 ( 0.486 1.268 -6.448) 6.589 9.014 ( 7.975 6.339 0.130) 10.188 9.135 ( 2.949 4.308 -0.200) 5.225 9.185 ( 3.512 0.776 -5.260) 6.372 9.276 ( -1.583 -0.264 4.969) 5.222 9.324 ( 5.799 4.308 3.155) 7.883 9.446 ( 2.283 -2.915 8.403) 9.183 9.557 ( -0.295 -4.968 6.163) 7.921 9.579 ( -0.113 2.918 6.812) 7.412 9.693 ( 2.602 -4.604 1.241) 5.432 9.714 ( 3.657 -4.100 -11.510) 12.753 9.811 ( 3.550 -6.661 -3.915) 8.502 9.926 ( -0.866 2.079 2.531) 3.387 9.974 ( 0.041 -2.114 -0.472) 2.167 10.180 ( 7.191 -3.487 0.432) 8.003 10.332 ( 6.378 3.316 -0.574) 7.211 10.390 ( 1.905 -6.995 1.117) 7.335 10.445 ( -8.205 12.401 2.680) 15.109 10.518 ( 3.798 1.279 1.290) 4.210 10.534 ( 4.468 0.956 2.324) 5.126 10.641 ( 2.320 6.871 2.589) 7.700 10.649 ( 5.455 -0.234 1.073) 5.565 10.787 ( 0.497 -0.057 -0.560) 0.751 10.902 ( 1.066 7.361 -2.489) 7.843 10.924 ( 1.529 2.121 -5.177) 5.800 10.976 ( -4.259 3.527 -2.469) 6.056 11.151 ( -1.963 1.296 0.725) 2.462 11.258 ( -2.175 -5.608 -4.711) 7.640 11.510 ( -1.186 -5.077 5.832) 7.823 11.568 ( -4.385 1.010 2.294) 5.051 11.634 ( -7.861 -0.767 1.878) 8.118 11.729 ( -8.087 -2.557 -0.558) 8.499 11.878 ( -5.384 -6.071 -1.416) 8.237 11.978 ( -11.160 -1.828 -2.683) 11.623 12.128 ( -6.544 -0.834 0.600) 6.624 12.288 ( 0.572 -2.372 -3.168) 3.999 12.342 ( -0.767 -4.938 2.863) 5.759 12.425 ( -4.471 -7.988 1.267) 9.241 12.463 ( -0.164 -2.094 0.406) 2.139 12.653 ( 2.066 3.092 5.373) 6.534 12.685 ( 2.197 1.499 -2.846) 3.896 12.699 ( -3.759 -2.190 -0.372) 4.366 12.873 ( -3.905 1.271 -0.666) 4.160 12.938 ( -1.031 0.494 -0.239) 1.168 13.002 ( -6.832 4.878 -3.264) 9.007 13.128 ( -8.588 1.493 -7.290) 11.363 13.200 ( -4.721 3.309 -0.103) 5.766 13.350 ( 0.637 0.351 4.775) 4.830 13.533 ( -4.267 3.378 1.256) 5.586 13.577 ( -0.040 -1.754 0.445) 1.810 13.758 ( 0.797 2.448 -1.969) 3.241 13.965 ( 1.408 2.300 -1.373) 3.026 14.030 ( 6.020 6.871 1.012) 9.191 14.118 ( 6.697 -4.180 -0.396) 7.904 14.305 ( 1.035 4.493 4.189) 6.230 14.416 ( -0.966 2.603 5.939) 6.555 14.543 ( -5.655 -2.931 -9.754) 11.649 14.679 ( 0.208 -2.959 15.219) 15.505 14.807 ( -8.215 -2.275 1.121) 8.598 14.885 ( -4.337 3.925 -2.612) 6.406 14.910 ( -4.401 5.360 -0.030) 6.935 15.177 ( 3.528 -2.824 -1.035) 4.636 15.283 ( -1.710 4.185 1.335) 4.714 15.324 ( 0.701 1.472 0.532) 1.715 15.368 ( -2.344 2.206 -0.585) 3.271 15.615 ( 3.928 -2.394 -1.474) 4.830 15.636 ( -0.618 0.922 1.922) 2.219 15.675 ( -1.907 3.077 -0.099) 3.622 15.719 ( 0.333 2.682 -0.366) 2.727 15.792 ( -1.132 3.505 -2.308) 4.347 15.850 ( 0.570 4.229 0.902) 4.362 15.955 ( 4.452 0.771 -0.449) 4.540 15.973 ( -3.532 0.587 4.796) 5.985 16.139 ( -2.248 -2.311 -2.808) 4.275 16.253 ( -0.889 2.158 2.496) 3.417 16.326 ( 1.915 -0.832 -2.208) 3.039 16.450 ( -3.307 2.992 7.365) 8.610 16.535 ( -3.104 -2.339 -1.349) 4.114 16.605 ( -4.082 0.342 -8.005) 8.992 16.731 ( 0.834 1.937 -6.109) 6.463 16.914 ( -0.416 -2.481 9.993) 10.305 16.956 ( 2.339 -0.343 2.255) 3.267 16.995 ( 7.426 -1.168 -9.046) 11.762 17.152 ( -5.211 0.947 -0.653) 5.337 17.212 ( 0.543 -2.720 -1.834) 3.325 17.323 ( -5.634 -0.520 -0.763) 5.709 17.424 ( 0.725 -2.087 1.358) 2.594 17.457 ( -0.420 -1.580 1.540) 2.246 17.536 ( -1.055 -4.599 -0.030) 4.718 17.636 ( -3.240 -1.522 1.008) 3.719 17.688 ( 5.907 -3.958 2.952) 7.699 17.774 ( -0.135 -1.812 -6.643) 6.887 18.381 ( -0.370 1.846 0.409) 1.927 18.396 ( -0.231 2.645 -0.538) 2.709 18.658 ( -0.871 -1.804 -0.276) 2.023 18.732 ( 2.197 -0.855 -0.028) 2.358 19.498 ( 0.358 1.813 0.477) 1.908 19.511 ( 0.417 2.476 -2.053) 3.243 20.451 ( -6.594 -12.765 9.875) 17.434 20.474 ( -5.906 -10.498 6.248) 13.570 21.024 ( 0.051 -0.441 4.427) 4.449 21.072 ( -4.999 -8.417 -14.720) 17.678 21.424 ( -6.240 -2.496 -3.334) 7.502 21.481 ( -2.104 -2.602 -2.761) 4.338 21.577 ( 0.655 -2.463 1.903) 3.181 21.647 ( 1.289 -9.037 1.331) 9.225 21.949 ( 1.685 -1.452 -0.368) 2.254 21.964 ( 0.993 -2.287 0.924) 2.659 22.008 ( 2.759 0.903 -1.321) 3.189 22.132 ( -0.269 6.242 -0.118) 6.249 22.145 ( 4.732 0.442 2.660) 5.446 22.301 ( 6.373 2.636 0.915) 6.957 22.407 ( 1.000 3.412 1.440) 3.836 22.426 ( 2.948 8.794 2.583) 9.628 22.533 ( -2.510 1.624 -2.437) 3.857 22.590 ( 0.107 3.786 -2.193) 4.376 22.764 ( -0.241 3.596 1.463) 3.890 22.884 ( -0.097 6.087 -0.498) 6.108 23.023 ( -0.504 7.280 2.977) 7.881 23.076 ( -5.842 1.591 -5.123) 7.932 23.230 ( 0.239 13.684 4.127) 14.295 23.262 ( 3.364 10.023 -7.902) 13.199 23.714 ( 3.981 -4.288 10.629) 12.133 24.141 ( 18.111 9.884 -8.949) 22.490 ======================= Grid point 76 (34/75) ======================= q-point: (-0.14 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -13.419 31.794 4.495) 34.801 1.013 ( -21.212 26.119 10.358) 35.206 1.736 ( -28.004 29.922 12.224) 42.767 1.869 ( -6.730 16.484 -14.378) 22.886 2.412 ( -7.184 4.760 -28.705) 29.971 2.812 ( -9.320 -5.622 22.623) 25.105 2.973 ( -4.301 7.847 24.737) 26.306 3.241 ( 17.139 6.609 0.907) 18.391 3.459 ( 12.159 2.087 -11.669) 16.981 3.653 ( 17.375 -6.316 1.297) 18.532 3.807 ( 1.679 -3.611 3.089) 5.040 3.881 ( 6.200 5.444 -4.953) 9.624 3.955 ( 3.216 -0.698 -6.017) 6.858 4.080 ( -7.453 9.922 -24.320) 27.303 4.133 ( 5.520 6.763 -0.982) 8.785 4.294 ( 3.828 2.699 3.747) 5.999 4.313 ( -1.225 3.313 2.431) 4.288 4.411 ( -2.075 -0.332 11.657) 11.845 4.512 ( 5.103 2.475 2.696) 6.280 4.628 ( 0.588 3.394 -5.405) 6.409 4.882 ( -11.194 -2.713 -0.291) 11.522 5.032 ( 9.368 4.965 -2.496) 10.892 5.193 ( -0.326 0.319 -0.212) 0.504 5.370 ( 0.574 0.184 -6.582) 6.610 5.498 ( 1.826 -2.338 9.185) 9.652 5.600 ( -2.296 -7.190 -5.550) 9.369 5.671 ( 0.610 -3.420 2.556) 4.313 5.728 ( -0.012 -0.707 8.761) 8.790 5.770 ( 4.231 -7.844 1.095) 8.979 6.048 ( 0.941 -0.986 -1.948) 2.377 6.167 ( 12.863 6.250 0.755) 14.321 6.272 ( 3.910 1.628 -2.312) 4.826 6.471 ( 5.526 -1.143 -6.044) 8.269 6.605 ( 0.222 -8.058 -3.740) 8.886 6.687 ( 1.849 -3.068 2.189) 4.198 6.831 ( 1.667 -0.146 -2.961) 3.401 6.913 ( 6.263 -3.051 -0.866) 7.021 7.036 ( 5.843 -3.317 -1.055) 6.801 7.131 ( 11.918 -0.570 3.232) 12.362 7.375 ( -12.421 -2.741 3.001) 13.068 7.443 ( 2.903 -7.404 1.811) 8.156 7.523 ( 2.045 -3.807 -3.832) 5.775 7.647 ( 4.324 -1.393 -0.440) 4.564 7.751 ( 1.273 4.267 -2.098) 4.922 7.789 ( 4.873 -2.564 5.965) 8.118 7.875 ( -1.841 -12.717 -4.007) 13.460 8.001 ( -2.643 5.461 -0.114) 6.069 8.082 ( -8.970 -6.008 7.988) 13.430 8.167 ( 8.321 -8.537 2.937) 12.278 8.244 ( 5.877 1.870 -1.903) 6.454 8.366 ( -5.090 -9.218 -3.702) 11.162 8.412 ( -4.245 -0.788 1.481) 4.565 8.537 ( -7.368 -4.078 0.970) 8.477 8.557 ( -6.210 -2.086 1.624) 6.749 8.736 ( 12.333 0.502 2.008) 12.505 8.778 ( -3.246 -1.379 -8.838) 9.516 8.848 ( 12.637 9.896 -1.767) 16.148 9.088 ( -1.064 7.836 -1.487) 8.047 9.159 ( 1.898 4.174 -3.074) 5.520 9.225 ( 0.951 -0.656 -0.329) 1.201 9.343 ( 2.445 -0.770 2.039) 3.275 9.441 ( 5.318 -1.221 3.528) 6.498 9.491 ( -6.342 -3.494 8.373) 11.070 9.567 ( -6.789 0.994 12.443) 14.210 9.616 ( 1.149 -0.096 -1.698) 2.053 9.667 ( 2.846 1.094 -3.884) 4.938 9.780 ( 1.994 -0.792 -6.138) 6.502 9.878 ( 11.888 -3.451 -1.222) 12.439 9.983 ( 6.835 -0.214 1.185) 6.940 10.076 ( 4.973 -5.769 2.633) 8.059 10.282 ( -4.978 -5.825 -1.433) 7.795 10.321 ( 3.172 4.478 -0.711) 5.533 10.416 ( 3.072 4.807 -2.718) 6.320 10.446 ( 3.903 -5.441 -0.410) 6.709 10.556 ( -3.017 -0.333 7.200) 7.814 10.657 ( -0.991 -1.356 -4.301) 4.617 10.677 ( 0.385 0.509 3.101) 3.166 10.741 ( 4.467 1.724 -1.054) 4.903 10.803 ( 1.348 0.175 -0.754) 1.554 10.848 ( 4.835 4.704 0.156) 6.748 10.938 ( -0.122 4.410 -1.838) 4.779 10.982 ( 3.845 -5.885 3.515) 7.859 11.070 ( -0.401 6.960 -0.237) 6.976 11.207 ( 5.187 -1.588 -4.216) 6.870 11.472 ( -6.555 -1.449 -6.953) 9.665 11.506 ( -5.763 -3.231 -2.661) 7.122 11.548 ( -14.317 -6.847 12.060) 19.932 11.643 ( -4.156 -6.089 -0.430) 7.384 11.681 ( -1.988 -0.870 1.406) 2.585 11.848 ( -3.450 -4.065 0.405) 5.348 12.079 ( -8.062 -6.565 -2.209) 10.628 12.098 ( -8.608 -1.068 -2.972) 9.169 12.330 ( -4.657 -6.447 -2.874) 8.456 12.360 ( -4.250 -8.227 0.789) 9.294 12.465 ( -1.255 1.120 3.663) 4.031 12.592 ( -5.505 -2.412 -2.403) 6.473 12.649 ( -4.741 -5.612 1.098) 7.428 12.726 ( 1.185 -1.656 -3.620) 4.153 12.828 ( 1.529 10.869 5.123) 12.112 12.872 ( 0.428 4.220 -3.514) 5.508 12.964 ( 1.343 9.196 -2.203) 9.551 12.973 ( -1.317 4.844 1.069) 5.132 13.138 ( -1.748 2.446 -0.574) 3.061 13.376 ( -1.338 -0.351 3.046) 3.345 13.508 ( -1.651 1.655 3.307) 4.050 13.610 ( 2.985 6.690 1.866) 7.560 13.752 ( 2.545 6.097 -8.101) 10.453 13.999 ( 3.081 -1.993 0.597) 3.718 14.130 ( 4.098 4.657 -0.926) 6.272 14.165 ( 4.328 -3.913 -8.044) 9.937 14.353 ( 2.335 -0.351 -7.019) 7.405 14.405 ( -1.605 2.580 -0.315) 3.055 14.484 ( -2.309 -4.836 13.008) 14.069 14.618 ( -11.488 -1.874 -2.024) 11.814 14.694 ( -2.416 3.930 -1.019) 4.725 14.851 ( -3.844 4.916 4.750) 7.843 14.982 ( 5.535 0.417 10.944) 12.271 15.206 ( 1.540 -2.904 -0.823) 3.388 15.289 ( -0.129 2.731 3.809) 4.689 15.329 ( -1.652 4.554 0.349) 4.856 15.367 ( -0.033 3.861 1.540) 4.157 15.563 ( -13.735 -3.761 -11.633) 18.388 15.624 ( -2.195 -0.619 0.240) 2.294 15.653 ( -5.333 -2.853 -1.786) 6.306 15.681 ( 0.967 -0.279 0.276) 1.044 15.741 ( -1.956 3.639 -0.892) 4.227 15.859 ( -0.445 0.389 1.466) 1.581 15.947 ( -7.066 1.195 -7.131) 10.110 16.010 ( -0.395 -6.458 6.714) 9.324 16.072 ( 3.605 -1.752 4.397) 5.950 16.226 ( -4.065 -1.003 0.001) 4.187 16.323 ( -5.528 3.083 -3.497) 7.231 16.340 ( 1.813 -2.344 -2.181) 3.680 16.457 ( -1.797 1.974 1.657) 3.142 16.576 ( -0.530 6.344 5.433) 8.370 16.733 ( 3.924 1.237 -2.795) 4.974 16.915 ( -5.771 0.730 7.092) 9.172 16.984 ( -0.360 -1.558 -1.355) 2.096 17.088 ( 6.300 -0.166 -4.286) 7.622 17.123 ( 0.104 -0.041 -3.519) 3.521 17.197 ( 1.841 0.134 1.822) 2.594 17.268 ( 0.821 -1.383 0.654) 1.736 17.430 ( 0.704 -0.357 -0.724) 1.071 17.470 ( -1.805 -2.419 1.252) 3.268 17.511 ( -4.855 -2.756 -1.887) 5.893 17.572 ( 0.195 -0.951 2.674) 2.845 17.611 ( -4.983 1.325 -4.037) 6.549 17.863 ( 5.227 -3.508 2.186) 6.664 18.378 ( 0.040 2.070 -0.055) 2.071 18.389 ( -0.466 2.158 0.194) 2.216 18.643 ( -0.707 -1.187 0.786) 1.589 18.773 ( 2.675 -0.485 -1.307) 3.017 19.495 ( 0.576 0.888 -1.268) 1.651 19.522 ( 1.191 2.952 0.016) 3.183 20.295 ( -2.015 -7.430 -8.141) 11.205 20.424 ( -27.753 -29.694 10.840) 42.065 20.903 ( 1.285 -0.278 8.534) 8.635 21.070 ( -0.925 -0.904 5.868) 6.009 21.320 ( -1.893 0.381 -3.019) 3.584 21.436 ( -0.737 -3.733 -1.113) 3.964 21.597 ( 0.565 -1.461 -0.919) 1.816 21.680 ( 0.988 -6.418 1.601) 6.688 21.953 ( 0.834 -2.439 -0.363) 2.603 21.978 ( 0.185 -2.359 0.154) 2.371 22.052 ( 1.915 0.573 -1.423) 2.453 22.140 ( 0.880 1.078 0.433) 1.458 22.261 ( 5.327 -0.714 3.169) 6.240 22.365 ( 0.076 3.897 -0.921) 4.005 22.421 ( -2.868 0.862 -4.672) 5.549 22.464 ( 2.410 3.130 1.117) 4.105 22.532 ( 3.230 7.135 2.024) 8.089 22.603 ( 1.517 5.662 1.218) 5.986 22.803 ( 1.437 2.393 -0.273) 2.805 22.870 ( 1.686 3.486 4.910) 6.253 22.965 ( -3.676 0.175 -2.503) 4.451 23.050 ( 0.566 7.742 1.449) 7.897 23.174 ( -4.673 5.838 -1.074) 7.555 23.312 ( 6.482 15.413 -5.566) 17.623 23.878 ( 1.210 -1.904 11.162) 11.388 24.400 ( 25.870 21.502 -20.483) 39.385 ======================= Grid point 77 (35/75) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -1.082 32.451 2.178) 32.542 1.651 ( -0.506 31.686 12.115) 33.927 1.962 ( 9.414 16.703 -19.060) 27.035 2.419 ( 4.290 19.151 -23.759) 30.816 2.606 ( -0.221 34.545 26.927) 43.800 2.761 ( -11.267 3.089 22.564) 25.409 3.254 ( -2.717 5.025 15.834) 16.833 3.490 ( 4.890 1.498 -8.794) 10.173 3.635 ( 4.813 2.872 1.194) 5.731 3.696 ( -6.769 -5.259 -5.579) 10.227 3.720 ( 1.577 1.111 -2.247) 2.961 3.866 ( 1.056 4.889 -7.880) 9.333 3.966 ( -1.825 8.847 -14.367) 16.971 4.054 ( -1.329 2.087 -6.222) 6.696 4.295 ( 0.223 4.819 -1.059) 4.939 4.314 ( 1.285 0.698 0.129) 1.468 4.374 ( -0.454 3.532 8.455) 9.174 4.595 ( -3.971 -0.311 -0.922) 4.089 4.602 ( -1.492 4.640 2.716) 5.580 4.681 ( 2.431 0.858 -0.148) 2.582 4.919 ( 7.381 4.404 3.508) 9.284 5.107 ( -3.255 -0.038 -7.767) 8.422 5.230 ( 3.441 -6.946 6.654) 10.216 5.251 ( 3.940 -8.136 -5.919) 10.805 5.374 ( -7.276 -7.049 3.092) 10.592 5.437 ( -0.847 0.793 -7.033) 7.128 5.578 ( -3.410 -6.269 -2.387) 7.525 5.734 ( 2.524 -1.202 -3.186) 4.238 5.757 ( 4.951 -4.566 8.064) 10.507 5.908 ( -3.899 -4.064 7.139) 9.093 6.164 ( 1.718 -2.486 -9.954) 10.402 6.283 ( -2.692 -0.554 -12.000) 12.311 6.387 ( 0.623 -4.912 4.372) 6.605 6.513 ( -2.835 -2.617 0.801) 3.941 6.755 ( -4.046 -1.228 2.571) 4.949 6.818 ( 4.094 -3.291 1.802) 5.553 6.919 ( -2.612 -4.999 -0.002) 5.640 7.008 ( -1.672 -1.342 1.621) 2.688 7.182 ( 10.987 -7.271 6.421) 14.657 7.223 ( 8.804 -7.384 1.621) 11.604 7.306 ( -1.542 -7.781 -5.261) 9.518 7.474 ( -5.731 2.510 -4.161) 7.514 7.578 ( -1.576 -6.909 0.916) 7.146 7.630 ( -2.544 -6.040 1.026) 6.634 7.858 ( 1.955 -2.956 2.658) 4.430 7.927 ( -1.245 -2.117 2.868) 3.776 7.982 ( 5.528 3.550 0.384) 6.580 8.009 ( -11.259 5.786 1.500) 12.747 8.078 ( 0.462 -1.056 3.601) 3.781 8.209 ( -0.978 -5.224 -1.926) 5.653 8.298 ( 8.948 -1.817 0.699) 9.157 8.378 ( -2.975 -7.478 2.662) 8.477 8.465 ( -1.068 -5.562 -0.037) 5.664 8.564 ( -4.490 6.233 1.280) 7.788 8.665 ( 10.880 1.975 1.680) 11.185 8.832 ( 7.969 -7.453 -2.983) 11.312 8.927 ( -2.143 -3.737 -3.190) 5.360 9.018 ( -7.879 -1.936 -3.845) 8.978 9.173 ( -0.733 -2.564 0.059) 2.667 9.201 ( -3.218 2.718 -7.447) 8.556 9.319 ( -0.332 -2.184 -1.163) 2.497 9.426 ( -5.204 -2.880 1.919) 6.250 9.530 ( -2.195 -2.261 7.125) 7.791 9.557 ( 3.034 2.156 2.524) 4.497 9.660 ( -3.390 0.894 1.326) 3.748 9.713 ( -0.373 2.110 0.230) 2.155 9.832 ( 0.999 0.941 3.410) 3.676 9.934 ( 3.421 -5.573 0.287) 6.546 10.098 ( -1.085 2.657 -4.136) 5.034 10.156 ( 11.306 -1.238 -3.636) 11.941 10.274 ( -0.188 1.765 0.451) 1.831 10.304 ( 6.146 3.123 0.395) 6.905 10.405 ( -4.622 2.815 -2.168) 5.830 10.452 ( 8.032 -8.589 -0.056) 11.760 10.504 ( -5.771 1.503 2.995) 6.674 10.562 ( -2.598 3.056 2.505) 4.729 10.663 ( -5.848 -6.980 -3.090) 9.616 10.723 ( -3.836 -3.945 -0.634) 5.539 10.796 ( 1.569 -0.917 4.629) 4.973 10.855 ( 1.817 -2.326 2.823) 4.084 10.968 ( -5.300 -0.085 5.127) 7.374 11.042 ( -7.424 -4.522 -1.356) 8.798 11.111 ( 6.858 -1.824 4.071) 8.182 11.206 ( -0.811 -3.450 -7.187) 8.013 11.230 ( -3.720 2.646 -7.063) 8.410 11.336 ( -1.365 -0.920 0.514) 1.725 11.490 ( 5.568 -4.571 0.661) 7.234 11.519 ( 2.262 3.875 -4.632) 6.449 11.641 ( -4.741 -4.718 -2.287) 7.069 11.674 ( 10.791 -2.209 -1.636) 11.136 11.768 ( 2.173 -6.594 3.535) 7.791 11.982 ( -5.103 -8.020 -4.791) 10.645 12.121 ( -0.125 0.357 2.555) 2.583 12.256 ( 0.543 -2.594 -4.115) 4.895 12.428 ( 0.596 -0.913 2.420) 2.655 12.436 ( -3.648 -2.635 0.739) 4.560 12.543 ( -2.184 -1.449 4.182) 4.935 12.695 ( 5.710 -1.800 -4.538) 7.513 12.989 ( 0.802 4.394 0.237) 4.473 13.035 ( 1.321 4.864 -0.516) 5.066 13.082 ( -0.208 2.101 3.069) 3.725 13.162 ( -2.028 4.874 -0.386) 5.294 13.304 ( 3.274 5.102 5.467) 8.164 13.336 ( -0.412 -0.997 5.660) 5.761 13.489 ( -0.480 -2.827 -2.188) 3.607 13.695 ( -6.241 2.787 -7.805) 10.375 13.888 ( 5.277 3.340 -3.076) 6.962 13.977 ( 1.169 0.884 -2.890) 3.240 14.098 ( -10.773 1.787 0.842) 10.952 14.224 ( 4.003 2.158 -4.322) 6.274 14.284 ( -2.153 2.222 -0.031) 3.094 14.341 ( 3.723 0.889 -2.090) 4.361 14.464 ( -1.141 1.003 0.557) 1.618 14.521 ( 0.412 1.536 -1.200) 1.992 14.808 ( -9.324 8.619 0.372) 12.703 14.939 ( 0.599 2.637 1.027) 2.892 14.969 ( 0.560 5.489 -1.223) 5.651 15.051 ( 2.379 -4.324 -1.681) 5.214 15.337 ( -0.354 3.036 2.022) 3.665 15.394 ( 1.034 4.135 -0.055) 4.262 15.453 ( -1.404 4.132 3.698) 5.720 15.569 ( 4.378 5.725 0.538) 7.227 15.666 ( 1.139 3.245 2.697) 4.370 15.684 ( 1.837 0.722 7.183) 7.449 15.712 ( -0.505 2.489 2.068) 3.275 15.802 ( 0.655 2.649 -1.187) 2.976 15.838 ( -3.282 -0.013 0.006) 3.282 15.863 ( 1.587 -0.536 -1.577) 2.301 16.038 ( 1.021 -1.449 3.195) 3.653 16.146 ( -2.447 -0.654 2.159) 3.328 16.245 ( 0.770 4.663 -4.714) 6.675 16.336 ( 3.386 2.227 -3.522) 5.369 16.354 ( -0.954 2.047 2.415) 3.306 16.471 ( -1.224 2.003 -2.225) 3.234 16.723 ( -1.192 2.406 8.773) 9.175 16.774 ( 1.614 -1.396 -0.515) 2.196 16.924 ( -2.196 0.670 -3.307) 4.026 16.944 ( -1.083 -3.924 -2.094) 4.577 17.061 ( 4.075 3.446 -0.343) 5.347 17.099 ( -2.300 2.688 0.922) 3.656 17.217 ( 1.842 -1.359 -2.994) 3.768 17.305 ( 2.674 -2.532 -4.113) 5.521 17.392 ( -1.912 -0.224 1.036) 2.186 17.413 ( -1.862 0.511 3.164) 3.707 17.450 ( 0.597 -0.695 0.588) 1.089 17.576 ( -2.844 3.620 -2.067) 5.046 17.683 ( 2.928 -1.235 5.434) 6.295 17.813 ( 0.471 -4.135 -0.633) 4.210 18.402 ( -0.557 0.116 0.502) 0.759 18.427 ( 0.720 1.077 -0.683) 1.465 18.627 ( -0.471 -1.346 2.773) 3.118 18.758 ( 0.773 -1.688 -3.323) 3.806 19.521 ( 0.358 0.959 0.867) 1.342 19.573 ( 0.582 1.681 -1.634) 2.415 19.874 ( -7.081 -6.120 5.583) 10.898 20.083 ( 3.883 -8.472 -4.857) 10.509 20.996 ( 2.444 -1.890 7.898) 8.481 21.082 ( -1.160 -0.958 5.863) 6.053 21.279 ( 0.267 -4.798 -5.294) 7.149 21.303 ( 0.136 -1.369 -4.295) 4.510 21.539 ( 0.354 -2.807 0.733) 2.922 21.620 ( -0.778 -2.057 -0.522) 2.261 21.887 ( 0.107 -3.199 3.641) 4.848 21.962 ( 0.549 -1.628 2.406) 2.957 22.065 ( 1.143 0.373 -2.887) 3.127 22.088 ( -1.438 -2.663 -3.209) 4.411 22.287 ( -3.223 0.817 0.019) 3.325 22.378 ( 2.459 0.020 -2.036) 3.193 22.452 ( 0.755 2.145 0.824) 2.419 22.536 ( -1.151 1.347 -2.197) 2.822 22.661 ( 2.349 2.279 4.907) 5.899 22.788 ( -0.956 9.582 -0.606) 9.649 22.869 ( -2.121 2.868 -0.283) 3.578 22.942 ( -1.703 8.007 -1.183) 8.271 23.083 ( 3.812 3.557 8.488) 9.961 23.305 ( 1.907 9.602 -0.858) 9.827 23.315 ( -1.068 14.029 -0.053) 14.069 23.507 ( -0.369 5.271 -13.028) 14.059 24.034 ( -2.574 5.710 16.709) 17.844 24.644 ( 2.104 -2.520 -14.398) 14.767 ======================= Grid point 78 (36/75) ======================= q-point: ( 0.14 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 16.850 28.263 2.651) 33.011 1.828 ( 5.716 26.768 15.729) 31.569 1.999 ( 14.019 19.098 -18.104) 29.817 2.308 ( 7.235 22.378 -24.939) 34.279 2.776 ( -8.267 4.956 19.751) 21.978 2.998 ( 10.815 24.565 31.371) 41.286 3.341 ( 2.812 0.455 -10.339) 10.724 3.433 ( -5.444 2.999 5.450) 8.266 3.518 ( -8.019 -2.402 4.314) 9.417 3.631 ( 1.279 8.914 -16.479) 18.779 3.672 ( -4.225 8.934 0.750) 9.911 3.783 ( 0.148 5.036 -1.118) 5.160 3.886 ( -3.064 0.964 -6.654) 7.389 4.015 ( 2.110 6.699 -5.478) 8.908 4.223 ( -4.304 6.766 -1.234) 8.113 4.268 ( -3.231 3.592 -1.369) 5.021 4.344 ( -8.986 7.870 3.557) 12.463 4.477 ( -6.116 3.307 3.736) 7.892 4.652 ( -0.771 -4.329 0.469) 4.422 4.708 ( 0.741 -3.722 -0.151) 3.798 4.981 ( 0.548 -3.133 -4.152) 5.230 5.094 ( 3.675 5.528 1.693) 6.851 5.153 ( -8.253 -14.121 -4.092) 16.859 5.255 ( -0.091 -1.196 -1.160) 1.669 5.421 ( 2.250 -5.437 6.138) 8.503 5.464 ( 3.520 -2.038 1.987) 4.527 5.531 ( 7.622 -4.679 -4.895) 10.195 5.797 ( 4.203 -3.304 3.905) 6.620 5.841 ( -3.145 -2.190 -2.432) 4.539 5.987 ( -0.773 -5.939 -1.816) 6.258 6.014 ( -2.322 -6.552 -1.692) 7.154 6.123 ( 0.106 -0.936 -5.263) 5.347 6.324 ( -15.635 4.169 7.330) 17.764 6.524 ( 0.876 -1.451 3.330) 3.736 6.595 ( -7.385 -2.625 -7.913) 11.137 6.786 ( 2.122 -3.551 5.487) 6.872 6.880 ( -4.058 -1.757 -3.869) 5.876 7.009 ( -15.571 -4.997 -1.718) 16.443 7.172 ( -5.077 -11.909 -3.426) 13.391 7.199 ( -12.422 -4.270 -3.121) 13.501 7.380 ( -0.875 0.418 4.364) 4.471 7.447 ( 8.751 -7.501 3.705) 12.107 7.564 ( 2.733 -3.175 0.536) 4.223 7.636 ( 3.325 -5.564 4.725) 8.021 7.711 ( -11.710 -1.541 1.130) 11.865 7.873 ( -2.618 -2.293 -1.686) 3.867 7.988 ( -0.119 -6.114 -2.865) 6.753 8.049 ( -3.256 -8.570 2.753) 9.572 8.097 ( -0.616 -0.441 2.259) 2.383 8.253 ( 7.751 7.525 1.690) 10.934 8.333 ( -4.279 -5.511 -3.264) 7.704 8.375 ( -0.994 -4.183 2.044) 4.761 8.475 ( -1.445 -6.015 1.924) 6.479 8.631 ( 2.076 5.743 -0.713) 6.149 8.713 ( -1.399 -2.969 -4.679) 5.715 8.830 ( 6.073 -2.929 -2.761) 7.286 8.890 ( -1.845 3.959 -0.597) 4.408 8.946 ( 0.055 -5.920 -4.162) 7.237 9.012 ( -6.173 5.165 -1.299) 8.153 9.167 ( -2.428 -2.904 4.475) 5.862 9.340 ( 0.536 -6.283 1.044) 6.392 9.369 ( -6.778 2.747 2.555) 7.747 9.485 ( -4.397 2.669 3.518) 6.231 9.586 ( -4.028 1.814 0.609) 4.460 9.620 ( -0.283 -7.089 -0.600) 7.120 9.727 ( 1.880 0.781 1.603) 2.591 9.864 ( 2.223 0.823 -2.442) 3.403 9.874 ( -14.366 -0.708 1.368) 14.449 10.006 ( -0.697 -6.497 -1.733) 6.760 10.113 ( -7.573 0.229 -3.775) 8.464 10.210 ( -9.222 5.637 -0.014) 10.809 10.283 ( 0.114 -2.081 2.225) 3.049 10.402 ( -6.293 -3.366 1.229) 7.242 10.472 ( 3.759 8.502 -5.027) 10.568 10.528 ( 1.440 -3.862 1.519) 4.393 10.546 ( -0.094 0.761 5.708) 5.759 10.674 ( 2.684 3.670 1.210) 4.705 10.766 ( -2.422 -3.335 0.100) 4.123 10.791 ( 6.033 -8.491 2.240) 10.654 10.942 ( 1.694 2.764 -1.654) 3.639 10.963 ( 6.505 -1.163 -0.522) 6.629 11.035 ( 0.769 -1.738 -0.207) 1.911 11.058 ( 1.723 2.025 1.549) 3.077 11.190 ( 1.342 -1.601 -0.824) 2.246 11.297 ( -0.748 -0.774 -3.733) 3.885 11.362 ( 9.427 -3.399 6.079) 11.721 11.492 ( 4.607 5.640 -3.280) 7.987 11.607 ( 6.960 -6.473 2.142) 9.743 11.667 ( 6.906 -0.666 -1.177) 7.038 11.850 ( 4.729 -6.981 0.522) 8.448 11.884 ( 5.941 -5.418 -13.305) 15.546 11.991 ( 10.717 -10.049 4.005) 15.228 12.151 ( 0.824 -1.402 1.311) 2.089 12.257 ( 4.387 -4.016 0.842) 6.007 12.461 ( -2.430 -1.666 2.444) 3.828 12.479 ( 8.701 -2.225 -1.421) 9.093 12.545 ( 2.325 0.085 -0.434) 2.366 12.778 ( 7.210 -0.289 -3.486) 8.014 12.939 ( -6.268 4.765 0.612) 7.897 13.024 ( -3.424 -0.192 -3.919) 5.208 13.072 ( -1.730 6.688 3.153) 7.594 13.148 ( -0.053 4.929 1.280) 5.093 13.301 ( -3.558 1.512 1.050) 4.006 13.402 ( -2.168 1.546 3.630) 4.502 13.470 ( 1.224 -1.794 -3.283) 3.936 13.581 ( 2.840 2.188 1.972) 4.091 13.917 ( -1.789 3.771 -0.551) 4.210 13.965 ( -1.458 3.590 -2.085) 4.400 14.011 ( 2.055 2.927 -0.420) 3.601 14.212 ( -1.995 8.939 -0.934) 9.206 14.247 ( 1.289 0.189 -3.315) 3.562 14.397 ( 1.930 0.447 -0.537) 2.053 14.539 ( 6.658 0.350 3.369) 7.470 14.572 ( 5.667 -2.308 0.161) 6.121 14.718 ( -4.324 6.825 4.407) 9.203 14.965 ( -1.049 -1.647 -0.988) 2.189 14.976 ( 4.401 4.299 0.331) 6.161 15.090 ( 3.015 -1.579 -1.410) 3.684 15.372 ( 0.759 2.407 0.966) 2.702 15.403 ( -0.689 7.871 1.258) 8.000 15.444 ( -1.214 0.357 3.345) 3.577 15.635 ( 4.342 5.776 -3.177) 7.893 15.690 ( -0.304 2.704 -1.975) 3.362 15.727 ( -0.258 3.273 2.674) 4.234 15.759 ( 1.630 2.031 4.201) 4.943 15.807 ( 0.621 3.513 -0.666) 3.629 15.837 ( 2.572 1.740 -0.902) 3.233 15.878 ( 3.268 -1.110 -0.873) 3.560 16.046 ( -2.407 -1.504 -1.709) 3.313 16.155 ( -1.979 -2.052 2.856) 4.036 16.217 ( 4.459 1.990 -2.382) 5.433 16.363 ( 0.202 4.176 1.397) 4.408 16.379 ( 0.938 -0.055 -1.195) 1.521 16.492 ( 5.360 1.709 -1.315) 5.777 16.691 ( -5.914 -0.274 1.803) 6.188 16.825 ( -0.780 2.432 4.662) 5.316 16.860 ( -1.561 -4.826 -2.770) 5.780 16.932 ( 1.830 0.208 -1.300) 2.255 17.066 ( -0.606 3.084 -1.895) 3.670 17.134 ( 3.842 2.304 -0.476) 4.506 17.187 ( -2.550 -2.845 -1.342) 4.050 17.291 ( 0.815 -1.825 -3.531) 4.057 17.373 ( -2.574 -1.375 3.062) 4.230 17.419 ( -0.098 0.568 1.302) 1.424 17.476 ( 0.673 1.359 0.883) 1.755 17.549 ( 1.411 2.120 0.148) 2.551 17.690 ( -4.927 -4.939 0.018) 6.976 17.833 ( 2.109 -1.102 0.061) 2.380 18.399 ( -0.054 0.477 0.357) 0.599 18.439 ( 1.093 0.883 -0.606) 1.530 18.641 ( -0.931 -1.877 2.627) 3.360 18.723 ( -0.899 -1.303 -2.811) 3.226 19.528 ( -0.197 1.793 -0.007) 1.804 19.578 ( 1.552 1.630 -0.920) 2.431 19.878 ( 1.177 -5.210 4.049) 6.703 20.181 ( 10.596 -10.409 -1.930) 14.978 21.107 ( -0.519 -1.700 5.848) 6.112 21.126 ( 1.357 -5.482 7.092) 9.066 21.217 ( 0.179 -6.184 -7.529) 9.745 21.286 ( 2.600 -1.915 -4.736) 5.732 21.558 ( -0.862 -2.093 0.855) 2.419 21.580 ( -1.095 -1.830 -0.399) 2.170 21.918 ( -1.301 -2.109 3.168) 4.022 21.975 ( -2.072 -1.936 0.613) 2.901 22.047 ( 1.646 -0.572 -2.863) 3.352 22.062 ( 1.170 -1.828 -0.641) 2.263 22.248 ( -2.392 1.136 2.326) 3.524 22.364 ( 0.248 3.143 -1.494) 3.489 22.442 ( -3.160 0.959 -1.598) 3.668 22.550 ( 2.838 1.889 -0.954) 3.540 22.673 ( -4.759 4.638 0.597) 6.672 22.775 ( 2.230 4.210 0.876) 4.844 22.878 ( -0.860 6.321 4.895) 8.041 22.937 ( 2.305 8.309 -1.692) 8.788 23.175 ( 0.591 3.851 1.869) 4.322 23.281 ( -2.452 12.726 2.248) 13.153 23.357 ( -2.550 2.647 -10.896) 11.499 23.370 ( 4.422 9.937 0.270) 10.880 24.067 ( -10.207 9.637 15.676) 21.042 24.421 ( -10.538 -0.288 -14.297) 17.763 ======================= Grid point 79 (37/75) ======================= q-point: ( 0.29 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 13.683 22.961 -4.612) 27.124 2.110 ( 24.450 20.764 6.679) 32.766 2.173 ( 15.496 19.299 3.596) 25.010 2.274 ( 14.840 21.190 -18.617) 31.872 2.836 ( -1.314 6.604 11.341) 13.189 3.098 ( -18.968 0.340 -3.292) 19.254 3.229 ( -10.751 6.847 -8.267) 15.193 3.386 ( -2.766 10.147 9.392) 14.100 3.529 ( -7.800 13.545 5.549) 16.586 3.588 ( 0.945 9.212 10.771) 14.204 3.661 ( 4.771 10.835 5.163) 12.916 3.728 ( 3.101 2.148 -18.230) 18.617 3.820 ( 4.264 7.617 -3.008) 9.233 4.018 ( 2.455 3.584 0.539) 4.377 4.085 ( -6.182 4.520 -3.184) 8.294 4.221 ( -0.721 3.735 -1.696) 4.165 4.335 ( 0.653 7.901 8.718) 11.784 4.439 ( -1.943 0.702 1.767) 2.718 4.610 ( -1.308 -0.628 0.215) 1.466 4.681 ( -0.712 -6.355 -2.734) 6.955 4.915 ( -7.922 -0.459 -1.151) 8.018 5.027 ( -3.666 -4.243 -2.507) 6.143 5.111 ( -5.185 -2.540 -3.245) 6.623 5.245 ( 8.598 0.642 3.644) 9.360 5.424 ( -7.706 -2.685 -2.990) 8.691 5.531 ( 0.891 -2.861 2.060) 3.637 5.663 ( -7.067 1.570 -1.411) 7.375 5.745 ( 11.332 -0.773 3.106) 11.775 5.782 ( -1.937 -5.884 -8.176) 10.258 5.921 ( -2.583 -7.646 5.667) 9.862 6.059 ( -5.393 1.685 2.687) 6.256 6.116 ( 0.641 1.629 2.201) 2.812 6.279 ( 1.307 -10.603 7.321) 12.951 6.379 ( -5.519 -4.586 -6.495) 9.679 6.518 ( -5.340 -8.350 1.238) 9.988 6.668 ( -7.984 1.136 -2.125) 8.339 6.840 ( -6.274 2.916 2.113) 7.235 6.875 ( -14.588 -0.979 -3.876) 15.126 6.898 ( 0.210 -2.742 0.189) 2.756 7.012 ( -4.127 -18.169 0.842) 18.651 7.344 ( -9.657 -2.544 -2.115) 10.208 7.469 ( -2.594 -0.973 0.137) 2.774 7.580 ( -5.092 -12.483 0.175) 13.482 7.620 ( -2.291 -1.551 5.236) 5.922 7.747 ( 3.769 -5.985 1.440) 7.218 7.825 ( -1.336 -10.598 -8.320) 13.540 7.958 ( 4.703 -9.428 1.424) 10.631 8.041 ( -1.482 -6.498 1.604) 6.855 8.132 ( -3.518 -7.190 5.524) 9.726 8.149 ( -4.781 4.776 -1.743) 6.979 8.250 ( -2.390 -6.920 -5.989) 9.458 8.409 ( 1.984 -1.008 2.742) 3.531 8.492 ( 2.763 -0.240 -3.616) 4.557 8.581 ( -6.519 -3.262 4.194) 8.410 8.647 ( -5.459 -4.664 -7.789) 10.593 8.824 ( 4.395 2.194 -6.564) 8.199 8.907 ( -3.201 6.028 4.907) 8.406 8.927 ( 2.227 1.137 -5.272) 5.835 8.977 ( -0.673 0.416 4.365) 4.436 9.192 ( -2.171 -0.080 4.508) 5.005 9.251 ( -7.098 2.153 2.640) 7.873 9.391 ( 2.529 -0.174 1.105) 2.765 9.443 ( -4.228 2.258 2.939) 5.623 9.490 ( -3.913 4.846 -0.751) 6.274 9.572 ( -2.943 -7.698 -2.198) 8.529 9.634 ( -6.854 -5.603 -0.821) 8.891 9.716 ( -5.265 2.221 -0.810) 5.771 9.888 ( 5.277 -4.118 -3.838) 7.716 10.020 ( -1.009 -3.444 7.235) 8.076 10.061 ( 1.392 -0.227 -0.761) 1.603 10.108 ( 0.993 1.805 -4.325) 4.791 10.236 ( -8.406 -2.801 4.568) 9.968 10.358 ( -0.094 4.887 -7.970) 9.349 10.496 ( 1.706 -1.455 8.283) 8.581 10.527 ( 0.450 2.837 0.207) 2.880 10.577 ( -0.642 4.080 3.747) 5.577 10.730 ( -1.726 -4.505 0.137) 4.826 10.777 ( 3.936 -1.234 1.236) 4.306 10.858 ( 3.258 1.059 -1.746) 3.845 10.894 ( -6.385 0.198 -5.774) 8.611 10.994 ( 1.006 6.749 1.375) 6.961 11.059 ( -2.079 6.387 2.001) 7.008 11.161 ( 7.851 -2.837 1.211) 8.435 11.247 ( 7.344 -0.110 -1.821) 7.567 11.357 ( 2.166 -2.475 1.765) 3.732 11.550 ( 7.657 -5.650 1.062) 9.575 11.619 ( 7.726 0.654 4.112) 8.777 11.680 ( 3.494 -0.300 -5.132) 6.216 11.818 ( 9.048 -5.199 -2.297) 10.686 11.877 ( 5.910 -7.095 -9.814) 13.475 11.995 ( 10.540 -6.366 4.801) 13.216 12.119 ( -2.532 -2.264 1.457) 3.696 12.183 ( 6.584 -8.819 3.670) 11.601 12.383 ( -3.053 -6.698 5.560) 9.225 12.472 ( 5.581 2.000 -3.341) 6.806 12.552 ( -1.223 -0.406 -1.740) 2.165 12.625 ( 10.413 -5.955 -1.964) 12.156 12.784 ( 0.780 0.881 -2.612) 2.865 12.872 ( -4.566 -0.689 -5.533) 7.207 12.993 ( 2.160 1.805 4.212) 5.066 13.048 ( -2.360 9.229 2.557) 9.864 13.148 ( 1.474 5.868 -2.389) 6.505 13.294 ( 3.702 5.793 -1.638) 7.068 13.388 ( -2.990 -7.737 3.725) 9.092 13.474 ( 2.013 -2.414 -2.927) 4.294 13.701 ( 3.698 4.087 6.723) 8.694 13.845 ( -3.432 4.025 -3.633) 6.417 13.912 ( -3.847 5.785 2.544) 7.399 14.056 ( 3.561 6.178 -3.541) 7.961 14.179 ( -1.561 10.731 1.053) 10.895 14.259 ( 1.096 1.268 0.737) 1.831 14.432 ( 1.141 -0.148 1.092) 1.586 14.611 ( -3.420 2.082 5.826) 7.069 14.721 ( 8.227 0.066 1.478) 8.359 14.732 ( 5.099 -3.800 0.585) 6.386 14.920 ( -2.056 -3.386 -2.393) 4.628 15.044 ( 0.642 -4.943 -3.179) 5.913 15.145 ( 3.746 4.372 1.704) 6.004 15.346 ( -3.307 1.268 1.477) 3.837 15.427 ( -0.009 3.752 3.797) 5.338 15.478 ( 2.046 1.901 0.749) 2.891 15.631 ( -0.783 3.766 -6.257) 7.345 15.693 ( 2.685 4.224 -0.044) 5.005 15.723 ( 0.665 3.180 -3.507) 4.780 15.802 ( 0.857 2.099 1.517) 2.728 15.827 ( 0.484 2.896 -1.501) 3.298 15.891 ( 4.388 3.212 3.798) 6.633 15.963 ( 1.708 1.977 0.874) 2.755 16.009 ( 2.315 -3.211 -2.211) 4.534 16.135 ( 0.107 -2.889 1.689) 3.348 16.292 ( 3.617 0.402 -2.119) 4.211 16.340 ( 1.278 5.152 -4.637) 7.049 16.410 ( 0.345 3.111 3.987) 5.069 16.542 ( -0.156 3.630 -2.810) 4.593 16.641 ( -0.840 -1.727 5.669) 5.986 16.747 ( -6.523 -0.814 -1.990) 6.869 16.866 ( 0.932 2.036 1.007) 2.455 16.947 ( 0.772 -0.443 -2.047) 2.232 17.051 ( 1.955 -0.882 -2.579) 3.354 17.108 ( -5.017 -2.339 -1.015) 5.627 17.205 ( 4.416 0.239 -0.396) 4.441 17.291 ( 1.384 -0.875 -0.370) 1.679 17.348 ( -4.782 -0.343 4.990) 6.920 17.429 ( 0.251 -0.578 0.473) 0.788 17.494 ( 0.913 -0.721 0.224) 1.184 17.572 ( -2.509 0.152 -1.026) 2.715 17.611 ( 0.239 -1.628 0.761) 1.813 17.848 ( 0.721 -0.606 -2.293) 2.479 18.407 ( 0.461 1.032 0.406) 1.200 18.450 ( 0.739 1.024 -0.686) 1.437 18.642 ( -0.884 -2.015 1.460) 2.641 18.689 ( -0.723 -1.205 -1.418) 1.997 19.522 ( -0.003 2.895 -0.549) 2.946 19.603 ( 1.767 1.661 -0.922) 2.595 19.951 ( 2.005 -5.823 4.909) 7.876 20.391 ( 11.891 -14.739 0.501) 18.945 21.089 ( -0.865 -6.097 -9.391) 11.229 21.147 ( -0.696 -1.113 6.032) 6.173 21.262 ( 3.043 -5.060 4.678) 7.533 21.285 ( 2.006 -4.876 -5.444) 7.579 21.509 ( -2.149 -1.779 -0.987) 2.959 21.595 ( -0.353 -0.698 1.650) 1.826 21.893 ( -1.874 -3.543 -0.198) 4.013 21.943 ( -0.718 0.132 -0.117) 0.740 22.036 ( -0.495 -0.117 -1.436) 1.524 22.115 ( 1.479 -2.029 2.074) 3.256 22.236 ( -0.528 2.923 0.548) 3.020 22.369 ( -2.359 1.000 2.994) 3.941 22.384 ( -0.638 1.802 -0.532) 1.984 22.510 ( -1.866 6.939 -3.283) 7.900 22.640 ( -1.065 3.422 1.077) 3.742 22.818 ( -0.061 6.781 -0.445) 6.796 22.866 ( -2.662 6.803 2.202) 7.630 22.991 ( 4.793 5.271 -0.328) 7.132 23.122 ( -2.546 3.059 -5.889) 7.108 23.266 ( -3.040 10.123 1.006) 10.618 23.317 ( 5.609 8.472 -0.350) 10.166 23.472 ( 5.896 6.657 2.435) 9.220 23.976 ( -13.616 11.131 12.026) 21.306 24.068 ( -14.706 0.883 -11.782) 18.864 ======================= Grid point 80 (38/75) ======================= q-point: ( 0.43 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 21.212 22.841 -10.122) 32.774 2.415 ( 16.491 16.518 -5.379) 23.952 2.477 ( -0.041 10.075 5.500) 11.479 2.598 ( 13.054 12.861 0.796) 18.342 2.768 ( -9.100 12.639 -5.047) 16.371 2.859 ( -0.683 8.237 3.410) 8.941 2.991 ( -3.491 11.526 6.167) 13.530 3.189 ( -20.207 15.003 14.965) 29.281 3.440 ( -10.239 13.893 2.483) 17.436 3.552 ( -3.345 0.177 -10.779) 11.287 3.642 ( 1.613 3.544 -11.742) 12.371 3.795 ( 2.901 11.118 -0.189) 11.491 3.935 ( 7.719 8.428 -5.155) 12.538 3.997 ( 0.696 3.843 0.580) 3.949 4.189 ( 0.883 3.220 4.421) 5.540 4.208 ( 9.438 6.077 -2.801) 11.569 4.390 ( -3.998 -1.163 1.468) 4.415 4.435 ( -1.987 7.741 5.361) 9.624 4.542 ( -0.814 1.421 -2.557) 3.037 4.688 ( -0.945 -6.811 -0.891) 6.934 4.771 ( -3.418 6.612 6.100) 9.624 4.984 ( -1.086 -4.032 0.928) 4.278 5.117 ( -1.388 -2.553 1.803) 3.420 5.197 ( -1.064 -0.695 -8.226) 8.324 5.357 ( -4.877 -3.004 5.966) 8.270 5.578 ( 5.441 -5.960 -1.859) 8.281 5.601 ( 0.866 3.878 2.907) 4.923 5.697 ( -0.019 -1.563 -1.414) 2.108 5.865 ( -1.030 -2.757 -1.263) 3.202 5.897 ( -2.316 -2.939 1.848) 4.173 5.977 ( -5.594 -5.395 0.802) 7.813 6.170 ( 0.600 1.098 -0.986) 1.593 6.204 ( -2.340 -5.829 -0.892) 6.344 6.360 ( -2.497 -5.548 8.119) 10.145 6.490 ( -0.941 -16.715 1.865) 16.845 6.621 ( -5.977 3.760 -6.658) 9.705 6.652 ( 2.939 0.088 4.468) 5.349 6.706 ( -5.411 -0.720 1.188) 5.587 6.980 ( 2.422 -1.090 -7.283) 7.752 7.024 ( -1.692 -10.420 4.364) 11.423 7.063 ( -7.218 -9.595 -0.213) 12.009 7.421 ( -6.044 -5.130 -4.362) 9.048 7.504 ( 4.015 -9.295 3.671) 10.771 7.609 ( -2.546 -4.957 4.248) 7.007 7.780 ( 5.028 -12.932 -4.868) 14.705 7.876 ( -5.133 -4.447 -2.307) 7.172 7.923 ( 5.546 -7.863 0.096) 9.622 7.990 ( -7.879 -12.996 -3.490) 15.593 8.073 ( 0.150 -3.461 0.028) 3.464 8.161 ( -2.307 1.623 -2.103) 3.518 8.287 ( 4.719 -4.018 3.987) 7.369 8.341 ( -4.332 -1.506 5.077) 6.842 8.463 ( -4.513 -5.455 1.066) 7.159 8.561 ( 5.815 -6.925 0.960) 9.093 8.587 ( 0.178 1.840 -3.294) 3.777 8.813 ( 0.071 -3.372 -3.063) 4.556 8.884 ( -3.886 8.497 2.219) 9.603 8.965 ( -2.635 0.929 3.419) 4.416 8.996 ( 7.838 -2.389 -3.145) 8.777 9.126 ( 0.301 4.147 -1.044) 4.287 9.253 ( -1.159 -1.992 7.409) 7.759 9.360 ( -7.102 -1.890 -3.342) 8.073 9.408 ( 0.607 3.289 -1.385) 3.620 9.436 ( -3.882 8.798 3.636) 10.281 9.500 ( -1.014 1.332 -3.792) 4.145 9.593 ( 0.659 -13.070 -3.584) 13.569 9.632 ( -1.937 1.253 -3.275) 4.006 9.952 ( 4.689 -3.932 -2.993) 6.812 10.030 ( -2.465 2.699 -1.554) 3.972 10.057 ( -3.955 -5.217 -0.692) 6.583 10.108 ( 1.727 -5.141 5.608) 7.801 10.205 ( -1.116 6.694 3.696) 7.727 10.341 ( 5.563 6.297 -5.732) 10.172 10.452 ( 0.457 -1.119 -3.375) 3.585 10.582 ( -0.853 5.788 -1.245) 5.981 10.628 ( -6.149 2.699 4.831) 8.272 10.706 ( -4.403 7.390 1.949) 8.820 10.740 ( 1.466 -5.632 -2.240) 6.236 10.824 ( 2.528 -5.087 3.457) 6.650 10.875 ( -2.792 0.204 1.158) 3.029 11.014 ( 0.096 3.168 0.924) 3.301 11.072 ( 2.405 5.475 1.737) 6.227 11.271 ( 1.646 -1.205 -0.442) 2.087 11.330 ( 4.431 9.851 -3.563) 11.374 11.401 ( -0.020 -3.365 3.960) 5.197 11.601 ( 0.771 -6.438 -4.217) 7.735 11.730 ( 4.691 -2.902 -1.051) 5.615 11.747 ( 4.468 -0.221 -2.428) 5.089 11.896 ( 2.950 -2.655 0.624) 4.017 11.950 ( 6.132 -9.180 1.136) 11.098 12.109 ( 0.931 -7.799 1.878) 8.076 12.172 ( 1.685 -4.435 -2.120) 5.196 12.297 ( 1.222 -5.009 2.643) 5.794 12.375 ( -0.565 -4.875 2.595) 5.552 12.413 ( -2.980 -2.352 -0.971) 3.919 12.603 ( 3.921 0.873 2.949) 4.983 12.706 ( -1.352 1.031 -7.210) 7.408 12.752 ( 1.112 -4.066 -0.520) 4.247 12.829 ( 0.341 0.861 0.657) 1.135 13.011 ( -2.090 1.956 -1.917) 3.445 13.061 ( 3.922 5.971 5.187) 8.828 13.225 ( 4.821 3.597 1.713) 6.255 13.322 ( -0.768 0.911 -1.857) 2.206 13.395 ( 0.182 -4.581 4.565) 6.470 13.464 ( 0.635 -4.449 -4.439) 6.317 13.720 ( -3.680 3.744 -5.957) 7.940 13.846 ( 4.386 6.238 5.132) 9.192 13.880 ( -2.922 4.845 4.088) 6.980 14.084 ( 2.895 10.047 -1.181) 10.522 14.163 ( -1.359 10.764 -0.107) 10.850 14.309 ( 0.945 -0.245 5.641) 5.725 14.431 ( -0.784 1.528 0.098) 1.720 14.586 ( -4.913 3.356 4.875) 7.691 14.817 ( -0.489 -2.289 -2.002) 3.080 14.846 ( 0.119 -5.876 -0.445) 5.894 14.888 ( 8.078 -1.225 -1.278) 8.269 14.991 ( -1.281 -6.113 -2.201) 6.622 15.183 ( 1.358 2.482 -4.939) 5.692 15.298 ( -3.804 0.566 3.091) 4.934 15.452 ( -1.166 1.409 3.024) 3.533 15.518 ( 1.609 2.752 -1.025) 3.349 15.548 ( -0.608 3.609 -6.245) 7.238 15.694 ( 0.404 2.922 -2.482) 3.855 15.740 ( 2.346 3.001 -1.237) 4.005 15.819 ( -1.553 3.055 0.568) 3.474 15.843 ( 2.282 2.910 2.149) 4.277 15.923 ( -1.309 5.931 -0.353) 6.084 15.972 ( -0.640 -0.031 -4.715) 4.759 16.055 ( 2.669 -1.399 2.133) 3.692 16.194 ( 2.679 -5.504 1.782) 6.376 16.278 ( 0.911 4.380 -4.761) 6.533 16.347 ( -0.685 3.100 -3.656) 4.842 16.471 ( 2.636 2.491 5.287) 6.412 16.546 ( 1.736 -1.605 4.284) 4.893 16.631 ( -5.154 5.242 3.399) 8.100 16.703 ( 0.760 0.273 5.119) 5.183 16.872 ( 1.966 6.153 -4.729) 8.005 16.932 ( -0.170 -3.106 -3.657) 4.801 17.015 ( -3.350 -0.984 -0.561) 3.536 17.077 ( 3.160 -3.316 -3.084) 5.522 17.247 ( -2.272 -3.458 3.361) 5.330 17.319 ( -1.126 1.211 4.073) 4.395 17.336 ( 1.926 1.965 2.779) 3.911 17.426 ( -0.822 -4.332 -0.656) 4.458 17.506 ( 0.375 -1.682 -0.937) 1.962 17.513 ( -1.065 -0.991 -2.431) 2.833 17.640 ( -0.140 -0.000 2.385) 2.389 17.828 ( 0.841 -0.115 -4.438) 4.518 18.418 ( 0.207 1.408 0.551) 1.526 18.453 ( 0.408 1.244 -0.758) 1.513 18.638 ( -0.868 -2.178 1.018) 2.556 18.673 ( 0.233 -1.010 -1.032) 1.463 19.524 ( 0.456 3.418 0.330) 3.464 19.610 ( 0.491 2.020 -2.346) 3.134 20.038 ( 0.760 -6.872 8.801) 11.192 20.528 ( 3.204 -17.581 -3.751) 18.260 21.002 ( 0.291 -0.895 -6.309) 6.379 21.198 ( 1.790 -2.476 -2.539) 3.973 21.251 ( -0.873 -6.809 2.667) 7.364 21.362 ( 2.869 -6.040 4.222) 7.908 21.480 ( -0.691 -2.412 0.248) 2.522 21.580 ( -1.287 0.340 -1.513) 2.016 21.875 ( -0.317 -3.456 0.632) 3.528 21.954 ( 1.887 0.220 -0.010) 1.900 22.009 ( -1.607 0.207 -0.297) 1.647 22.091 ( -2.901 -0.426 -3.261) 4.385 22.248 ( 1.135 4.835 1.153) 5.098 22.323 ( -2.915 3.512 0.614) 4.605 22.410 ( 0.440 -0.679 2.613) 2.736 22.483 ( 0.217 4.846 -1.142) 4.983 22.640 ( -0.225 5.333 1.599) 5.572 22.745 ( -1.871 9.444 -2.211) 9.879 22.903 ( 1.746 4.353 1.429) 4.903 23.021 ( -1.508 4.531 -4.414) 6.503 23.112 ( 5.583 5.284 4.531) 8.924 23.232 ( -3.827 9.939 4.533) 11.575 23.410 ( 6.818 7.957 -5.937) 12.043 23.648 ( 8.094 11.499 1.646) 14.157 23.717 ( -10.044 -4.725 -8.006) 13.686 23.827 ( -12.796 10.337 7.528) 18.091 ======================= Grid point 81 (39/75) ======================= q-point: (-0.43 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -21.268 18.247 -1.857) 28.084 2.344 ( -19.142 20.953 -8.318) 29.574 2.556 ( 5.831 15.752 -2.137) 16.932 2.712 ( 25.318 15.148 -9.110) 30.878 2.808 ( -5.881 6.764 6.863) 11.289 2.960 ( 2.046 4.844 11.051) 12.238 3.076 ( -8.481 15.071 14.957) 22.864 3.200 ( 6.041 8.770 -3.429) 11.187 3.298 ( -3.714 10.185 5.300) 12.067 3.317 ( -7.815 6.419 -9.259) 13.711 3.599 ( -3.038 13.266 -1.692) 13.714 3.761 ( 10.263 12.144 -13.497) 20.856 3.930 ( -2.019 4.954 -6.681) 8.559 4.096 ( 7.700 3.149 3.845) 9.164 4.148 ( -3.468 5.284 -1.006) 6.400 4.271 ( -3.274 2.538 5.721) 7.063 4.377 ( 3.439 2.769 1.100) 4.550 4.480 ( 0.455 -3.698 2.820) 4.673 4.595 ( -3.298 2.581 -4.067) 5.837 4.642 ( -0.459 -5.227 -1.890) 5.577 4.779 ( 6.934 3.553 6.983) 10.463 5.005 ( 2.654 0.500 2.496) 3.678 5.093 ( 1.229 -4.781 0.154) 4.939 5.215 ( 1.568 -3.372 -7.672) 8.526 5.369 ( -3.054 -1.415 7.370) 8.102 5.634 ( 2.980 0.395 -1.562) 3.387 5.674 ( 2.870 3.911 2.267) 5.354 5.699 ( 2.699 -2.740 -6.161) 7.263 5.801 ( 2.909 -3.507 4.066) 6.107 5.881 ( -6.914 -11.417 3.611) 13.827 5.964 ( 3.406 0.407 -1.019) 3.579 6.116 ( 0.581 -5.238 -2.156) 5.694 6.263 ( 0.073 -1.065 6.787) 6.871 6.402 ( -0.356 -11.144 -1.806) 11.295 6.473 ( 2.282 -3.484 1.297) 4.362 6.528 ( 3.632 2.022 -4.461) 6.098 6.725 ( 6.603 4.369 2.799) 8.398 6.766 ( 1.332 -3.219 -0.271) 3.494 6.849 ( 1.127 -2.588 2.544) 3.800 7.078 ( 3.245 -13.838 5.998) 15.427 7.132 ( 4.457 -5.461 -5.230) 8.777 7.332 ( 1.592 -11.384 -5.178) 12.608 7.599 ( -4.159 -10.775 3.967) 12.212 7.650 ( 1.313 -8.290 4.360) 9.458 7.701 ( -6.042 -3.595 -4.015) 8.096 7.843 ( 4.909 -13.104 -5.791) 15.144 7.906 ( 5.119 -9.612 -0.347) 10.895 7.956 ( 1.202 -3.597 -1.154) 3.964 8.069 ( 0.474 2.685 1.843) 3.291 8.110 ( -0.469 0.506 -4.593) 4.645 8.325 ( -1.144 -2.093 4.933) 5.479 8.380 ( -4.527 -6.959 4.222) 9.314 8.471 ( 2.536 -2.692 0.719) 3.768 8.562 ( 1.996 2.072 -3.468) 4.506 8.712 ( 5.998 -9.702 -1.989) 11.579 8.766 ( -1.016 3.184 -5.416) 6.364 8.852 ( 2.116 1.380 3.730) 4.505 8.975 ( -1.552 -3.132 6.592) 7.462 9.119 ( 6.600 2.336 -0.953) 7.066 9.198 ( 4.841 1.481 3.092) 5.932 9.249 ( -1.231 -3.846 -0.724) 4.102 9.296 ( -2.353 1.961 4.510) 5.451 9.372 ( 0.229 0.521 -2.864) 2.920 9.403 ( 0.452 2.044 0.656) 2.193 9.491 ( -1.900 -6.968 -4.736) 8.637 9.546 ( 4.566 3.914 0.566) 6.041 9.599 ( 0.583 -6.596 -4.778) 8.166 9.854 ( -2.663 -0.860 -13.839) 14.119 9.970 ( -3.940 -2.723 4.707) 6.715 10.070 ( -2.293 0.941 0.876) 2.629 10.164 ( 1.976 5.985 3.500) 7.210 10.232 ( 1.370 -0.136 3.891) 4.128 10.410 ( 5.397 1.328 -1.840) 5.855 10.445 ( -0.914 1.865 -5.725) 6.090 10.534 ( -4.937 0.322 4.972) 7.014 10.587 ( -3.538 -0.416 3.498) 4.992 10.644 ( 5.672 9.650 -2.171) 11.402 10.761 ( -3.313 2.336 -1.789) 4.431 10.802 ( -1.825 -2.812 0.736) 3.433 10.922 ( 2.653 0.465 2.171) 3.460 11.024 ( -1.239 1.968 3.216) 3.969 11.147 ( 3.925 4.335 0.409) 5.862 11.233 ( -3.107 2.201 -1.864) 4.240 11.338 ( 0.335 8.399 -4.327) 9.454 11.391 ( -4.649 -3.951 3.955) 7.271 11.583 ( 0.910 -2.413 -0.829) 2.709 11.706 ( -5.675 -5.035 -2.070) 7.864 11.781 ( 2.037 -4.330 -1.532) 5.025 11.899 ( -11.060 -5.506 0.548) 12.367 12.059 ( -0.085 -6.537 0.387) 6.549 12.069 ( -2.053 -6.766 -0.011) 7.071 12.118 ( -1.097 -7.216 -1.548) 7.461 12.304 ( -3.651 -5.224 2.779) 6.953 12.329 ( -0.528 0.062 3.574) 3.614 12.482 ( 3.347 -1.520 1.936) 4.155 12.588 ( 0.093 -2.179 -4.003) 4.559 12.708 ( -0.058 1.817 -0.783) 1.979 12.736 ( -0.018 -0.135 -4.111) 4.113 12.878 ( 2.978 1.185 4.378) 5.425 12.960 ( 0.601 2.823 -2.071) 3.553 13.150 ( -4.878 1.590 3.736) 6.347 13.255 ( -0.289 -6.483 0.508) 6.509 13.277 ( -2.155 3.273 -0.171) 3.922 13.411 ( -2.455 1.475 -2.642) 3.897 13.472 ( 3.419 -2.514 3.350) 5.407 13.595 ( -3.293 -0.848 -5.190) 6.204 13.837 ( -3.795 4.121 2.506) 6.137 13.999 ( 6.476 5.403 3.074) 8.977 14.129 ( -0.936 10.865 -1.878) 11.066 14.159 ( 5.091 12.587 0.508) 13.587 14.355 ( -2.474 -0.231 6.603) 7.055 14.457 ( -0.636 -1.382 5.603) 5.806 14.526 ( -3.188 5.732 3.310) 7.347 14.680 ( -5.075 -4.417 -7.447) 10.036 14.846 ( -4.278 -2.230 1.702) 5.116 14.991 ( 5.428 -6.275 -0.567) 8.316 15.009 ( 2.617 -1.413 -1.765) 3.458 15.094 ( -3.110 2.596 -8.243) 9.185 15.301 ( -0.632 1.956 5.536) 5.905 15.434 ( -1.380 2.176 -1.201) 2.843 15.461 ( -2.565 4.461 -1.727) 5.429 15.569 ( 3.612 2.328 -2.833) 5.147 15.689 ( 0.085 2.832 -0.214) 2.841 15.768 ( 0.276 4.283 -1.595) 4.579 15.778 ( -1.056 -1.770 0.682) 2.171 15.875 ( -1.915 4.803 0.373) 5.185 15.899 ( -0.532 0.934 -4.255) 4.389 15.931 ( 3.134 4.181 0.382) 5.239 16.077 ( -3.009 1.478 3.152) 4.601 16.211 ( -4.524 0.262 -2.175) 5.027 16.245 ( 2.127 -2.221 -1.265) 3.325 16.310 ( 1.264 1.053 -3.017) 3.437 16.533 ( -4.472 1.366 6.384) 7.913 16.558 ( -0.086 2.734 3.047) 4.095 16.707 ( 4.710 1.914 1.773) 5.384 16.750 ( -0.391 0.351 4.888) 4.916 16.849 ( -0.588 1.835 -1.939) 2.734 16.919 ( 5.542 1.309 -7.069) 9.077 16.950 ( -3.905 0.672 -0.542) 3.999 17.118 ( 5.125 -2.119 -3.905) 6.782 17.232 ( -3.580 -2.111 5.441) 6.846 17.349 ( -0.543 -1.468 3.089) 3.463 17.371 ( -4.016 -3.030 3.931) 6.384 17.405 ( 1.232 -0.873 -0.328) 1.546 17.479 ( 0.729 -0.706 -2.765) 2.946 17.520 ( 3.060 -1.667 -1.688) 3.872 17.642 ( -2.117 -0.387 2.703) 3.455 17.803 ( 1.091 0.148 -5.146) 5.263 18.420 ( -0.591 1.296 0.638) 1.561 18.451 ( 0.251 1.459 -0.848) 1.707 18.630 ( -0.973 -2.060 0.730) 2.392 18.679 ( 1.360 -1.103 -0.734) 1.899 19.540 ( 0.260 3.237 1.043) 3.410 19.583 ( -0.361 2.221 -2.758) 3.560 20.126 ( -2.564 -9.255 12.543) 15.797 20.438 ( -4.892 -14.195 -8.825) 17.415 20.992 ( 1.063 0.502 0.008) 1.175 21.121 ( -2.132 -3.470 -8.473) 9.401 21.325 ( 0.461 -8.127 7.323) 10.949 21.420 ( -0.196 -7.558 0.974) 7.623 21.494 ( 1.957 -0.521 1.103) 2.306 21.535 ( -0.850 0.160 -3.090) 3.209 21.888 ( 0.045 -3.198 1.775) 3.658 21.959 ( -1.929 -0.526 -0.173) 2.007 21.981 ( 0.369 0.306 -2.755) 2.796 22.058 ( 3.115 0.154 -1.220) 3.349 22.264 ( -1.621 4.353 1.248) 4.810 22.303 ( 1.265 3.750 0.067) 3.958 22.434 ( 0.441 1.262 2.531) 2.863 22.495 ( 2.276 3.841 -1.203) 4.624 22.646 ( -0.880 5.811 2.171) 6.265 22.733 ( 1.294 7.291 -2.683) 7.877 22.888 ( -4.081 4.270 0.668) 5.944 23.014 ( 3.614 7.371 -1.832) 8.411 23.207 ( -2.830 10.103 4.152) 11.283 23.307 ( 7.244 3.802 9.608) 12.619 23.363 ( -8.504 3.663 -8.035) 12.260 23.486 ( 3.149 7.360 -7.584) 11.027 23.679 ( -8.005 9.459 2.296) 12.602 23.952 ( 17.132 3.576 1.931) 17.608 ======================= Grid point 82 (40/75) ======================= q-point: (-0.29 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -16.321 27.650 -0.392) 32.110 1.948 ( -18.871 27.220 -2.910) 33.249 2.377 ( -14.769 14.198 -8.803) 22.298 2.721 ( -13.533 6.410 8.571) 17.254 2.891 ( -5.155 9.934 -13.417) 17.472 3.008 ( -11.290 16.101 6.581) 20.737 3.087 ( -9.281 18.718 8.234) 22.456 3.140 ( 19.556 10.314 -3.539) 22.391 3.268 ( 5.004 4.238 7.345) 9.846 3.395 ( 11.778 6.596 -1.881) 13.630 3.642 ( 6.878 5.182 4.749) 9.834 3.900 ( 8.223 7.319 -4.572) 11.920 3.944 ( 9.955 4.839 -6.335) 12.754 4.093 ( 1.630 0.934 -2.964) 3.509 4.257 ( 3.279 -0.878 -1.548) 3.730 4.306 ( -2.140 -2.305 8.790) 9.335 4.388 ( -1.529 0.934 -1.584) 2.392 4.417 ( -2.676 3.243 6.750) 7.952 4.575 ( -4.222 0.199 -1.685) 4.550 4.640 ( 7.339 1.540 -0.865) 7.548 5.017 ( 3.728 -1.295 1.484) 4.216 5.059 ( 9.436 1.387 -1.231) 9.616 5.074 ( -3.319 -5.935 -2.078) 7.110 5.184 ( 2.895 -3.146 -8.204) 9.251 5.337 ( 0.074 -0.154 6.324) 6.327 5.540 ( -3.047 -1.568 -0.331) 3.443 5.709 ( -3.947 -7.505 -3.731) 9.264 5.784 ( -2.882 3.866 -6.794) 8.332 5.827 ( -0.706 5.503 4.620) 7.219 5.948 ( 3.386 -1.910 1.986) 4.366 5.997 ( 6.792 -5.722 4.445) 9.931 6.187 ( 8.716 -1.080 2.875) 9.241 6.290 ( 3.431 -3.600 -0.210) 4.978 6.406 ( -2.223 -11.861 2.892) 12.409 6.585 ( 4.795 -5.901 0.924) 7.660 6.668 ( 14.751 1.165 -1.097) 14.837 6.759 ( -1.115 2.610 1.478) 3.200 6.850 ( 8.223 1.930 0.698) 8.475 6.956 ( 4.488 -6.086 -10.056) 12.582 7.158 ( 6.919 -5.654 0.630) 8.958 7.296 ( 10.408 -14.286 11.913) 21.315 7.370 ( 8.273 -15.620 -5.344) 18.466 7.489 ( -5.433 -4.881 -4.433) 8.543 7.548 ( -3.873 -6.691 0.728) 7.766 7.760 ( 0.545 -3.851 1.552) 4.188 7.836 ( 2.038 -10.361 -2.016) 10.751 7.948 ( -5.253 0.112 -2.734) 5.923 7.976 ( -0.327 -0.320 2.781) 2.818 8.141 ( 8.191 -7.361 -1.459) 11.109 8.204 ( 7.484 7.277 1.463) 10.541 8.285 ( -2.814 4.011 5.669) 7.493 8.363 ( -0.792 -7.383 -1.113) 7.508 8.459 ( -0.395 -2.004 -2.790) 3.457 8.523 ( -1.054 -3.959 -2.348) 4.722 8.662 ( -1.219 -8.850 -7.563) 11.705 8.823 ( 5.047 5.328 1.791) 7.555 8.898 ( -1.625 -2.914 -5.283) 6.249 9.079 ( 2.364 -3.064 4.432) 5.884 9.093 ( 0.604 2.972 1.807) 3.530 9.250 ( 0.500 -7.003 -1.028) 7.096 9.287 ( 2.646 2.613 -0.025) 3.719 9.356 ( 2.379 -1.152 4.349) 5.089 9.442 ( 4.950 2.320 5.352) 7.651 9.466 ( 4.237 -0.778 0.172) 4.311 9.537 ( 8.454 -3.935 -0.433) 9.335 9.613 ( 6.455 -4.649 -1.953) 8.191 9.636 ( 5.473 -0.067 0.617) 5.508 9.733 ( 0.430 3.167 -5.622) 6.467 9.985 ( -0.625 0.087 4.599) 4.642 10.044 ( -1.421 1.803 1.049) 2.524 10.109 ( -4.730 2.443 -4.825) 7.184 10.320 ( 3.879 0.968 6.339) 7.494 10.396 ( 2.252 -3.728 -7.556) 8.721 10.488 ( 3.980 2.346 -2.028) 5.045 10.505 ( -1.826 -3.781 8.749) 9.705 10.572 ( -4.471 0.792 1.076) 4.667 10.645 ( -1.315 -2.470 0.999) 2.971 10.782 ( 2.520 3.760 -2.750) 5.296 10.802 ( 1.194 3.980 2.744) 4.980 10.917 ( -2.195 -1.480 -3.012) 4.010 11.046 ( 0.213 6.874 2.008) 7.164 11.115 ( -9.722 3.328 0.186) 10.277 11.188 ( -0.649 2.675 0.273) 2.766 11.298 ( 1.229 6.445 -5.363) 8.474 11.361 ( -2.924 -6.124 7.455) 10.081 11.549 ( -8.590 -3.880 -2.150) 9.668 11.585 ( -6.275 -5.800 -1.496) 8.675 11.630 ( -6.502 -1.947 -0.162) 6.790 11.750 ( -5.707 -4.571 -1.591) 7.483 11.894 ( -9.750 -5.281 -3.363) 11.587 12.060 ( -5.950 -7.838 0.445) 9.851 12.116 ( -1.914 -7.509 0.590) 7.772 12.259 ( -3.677 -3.821 5.643) 7.743 12.333 ( -1.476 0.322 -0.863) 1.740 12.475 ( -2.792 0.223 1.435) 3.147 12.594 ( 2.044 -4.999 -3.239) 6.298 12.675 ( -4.893 0.762 -1.107) 5.074 12.778 ( 7.050 2.353 0.094) 7.433 12.812 ( -9.451 -5.120 -4.873) 11.802 13.023 ( 1.983 4.139 1.617) 4.866 13.074 ( 0.958 4.763 0.552) 4.890 13.182 ( -6.153 -0.961 -0.897) 6.291 13.267 ( -1.374 1.527 -1.028) 2.296 13.325 ( -3.258 2.397 0.046) 4.045 13.515 ( -0.387 -3.982 -0.981) 4.119 13.610 ( 4.240 2.097 6.122) 7.737 13.815 ( 0.625 3.448 -0.495) 3.539 14.063 ( -3.138 6.962 -2.681) 8.094 14.116 ( 4.144 3.587 -0.750) 5.532 14.237 ( 4.507 10.934 -2.395) 12.067 14.371 ( -1.577 1.512 5.889) 6.281 14.426 ( -4.836 -0.426 1.836) 5.190 14.534 ( -4.806 0.632 -3.372) 5.905 14.637 ( 3.050 0.277 13.593) 13.934 14.745 ( -7.621 -2.798 -0.611) 8.141 14.947 ( -2.796 0.145 -4.799) 5.556 15.026 ( 1.180 4.474 -4.609) 6.531 15.085 ( 3.983 -4.489 1.469) 6.178 15.351 ( 0.748 2.061 4.456) 4.966 15.393 ( -1.965 5.485 -1.522) 6.022 15.425 ( -1.209 2.084 2.543) 3.503 15.590 ( 1.930 0.219 -2.989) 3.565 15.679 ( -0.557 3.098 -0.171) 3.152 15.729 ( -3.011 1.145 -4.192) 5.287 15.775 ( -0.424 1.170 2.970) 3.221 15.836 ( -3.374 2.100 -0.274) 3.983 15.884 ( -1.006 2.575 -0.532) 2.815 15.984 ( -0.899 0.893 1.205) 1.749 16.010 ( -2.663 -0.907 -2.362) 3.673 16.112 ( -2.850 2.687 -0.370) 3.934 16.254 ( -0.617 -1.934 -0.172) 2.037 16.312 ( 1.055 1.790 -1.191) 2.395 16.506 ( -4.828 2.432 3.652) 6.524 16.539 ( -0.172 4.057 -2.413) 4.723 16.715 ( -4.321 2.714 0.316) 5.112 16.792 ( 0.948 4.038 -1.596) 4.445 16.844 ( 0.842 -1.835 5.622) 5.974 16.928 ( 1.544 -1.000 -0.463) 1.897 16.978 ( 7.699 -0.224 -7.033) 10.430 17.162 ( 3.584 -0.859 -3.020) 4.764 17.212 ( -3.806 1.653 3.290) 5.295 17.285 ( -4.229 -2.439 -0.122) 4.883 17.383 ( -0.097 -1.488 2.237) 2.688 17.423 ( -0.625 -0.898 3.339) 3.514 17.485 ( 2.262 0.178 -2.255) 3.199 17.570 ( 1.628 -4.357 -3.173) 5.631 17.641 ( -0.605 -0.347 6.531) 6.568 17.769 ( 0.700 0.899 -5.248) 5.371 18.412 ( -0.841 0.846 0.598) 1.334 18.444 ( -0.167 1.501 -0.889) 1.752 18.619 ( -0.941 -1.684 0.849) 2.108 18.707 ( 2.501 -1.351 -0.783) 2.948 19.531 ( -0.936 1.651 -0.881) 2.092 19.572 ( 0.393 2.989 -0.191) 3.021 20.142 ( -9.246 -13.284 11.923) 20.102 20.263 ( -5.469 -10.402 -6.973) 13.665 20.995 ( -3.462 -0.700 -6.256) 7.184 21.019 ( 0.162 -0.177 2.791) 2.801 21.353 ( -1.129 -4.397 0.001) 4.540 21.387 ( -2.372 -5.301 -0.855) 5.870 21.517 ( 1.400 -3.057 -0.734) 3.441 21.553 ( 2.293 0.124 1.494) 2.740 21.884 ( -1.226 -4.340 0.168) 4.513 21.937 ( -0.203 -0.165 -0.269) 0.375 22.005 ( 3.897 -0.978 -0.956) 4.130 22.109 ( 1.556 -2.245 1.487) 3.110 22.235 ( -1.526 3.720 0.494) 4.051 22.370 ( 4.548 3.201 2.406) 6.060 22.467 ( 0.669 2.751 1.011) 3.006 22.519 ( 1.529 0.889 -4.255) 4.608 22.644 ( -1.383 5.240 1.077) 5.525 22.732 ( 1.904 8.494 -0.172) 8.706 22.839 ( -1.521 3.393 1.342) 3.954 23.036 ( -1.761 8.277 0.007) 8.463 23.138 ( -6.764 4.316 -5.690) 9.837 23.216 ( 1.019 10.275 2.006) 10.519 23.425 ( -1.755 9.429 -3.008) 10.051 23.598 ( 8.693 7.589 8.430) 14.291 23.614 ( 1.993 3.490 -1.909) 4.449 24.286 ( 19.884 3.328 -2.014) 20.261 ======================= Grid point 83 (41/75) ======================= q-point: (-0.14 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -6.980 33.146 4.947) 34.233 1.642 ( -14.433 31.209 2.179) 34.453 2.065 ( -3.871 15.794 -17.173) 23.651 2.538 ( -7.179 21.402 0.254) 22.576 2.660 ( -14.765 23.445 -5.246) 28.199 2.769 ( -10.470 6.138 16.036) 20.112 3.178 ( -5.026 10.627 18.661) 22.056 3.400 ( 10.180 4.039 -1.910) 11.117 3.477 ( 16.312 3.594 -6.894) 18.070 3.606 ( 10.082 1.012 0.335) 10.138 3.763 ( 0.495 -0.217 4.703) 4.734 3.928 ( -2.810 -1.332 -5.642) 6.442 4.014 ( 8.458 4.262 -1.746) 9.630 4.189 ( -2.105 -3.984 -3.316) 5.595 4.212 ( 8.639 3.677 -4.748) 10.521 4.300 ( -3.730 3.716 -11.637) 12.773 4.395 ( -0.766 3.390 3.025) 4.608 4.463 ( 3.657 -0.025 8.635) 9.378 4.560 ( 5.375 3.864 3.621) 7.545 4.720 ( -0.256 5.020 -2.908) 5.807 4.900 ( -5.469 3.036 -2.815) 6.859 5.115 ( 3.966 -6.108 -1.998) 7.552 5.146 ( 6.380 3.097 -1.987) 7.365 5.263 ( 1.876 -11.349 -0.037) 11.503 5.425 ( -0.415 3.119 -1.562) 3.513 5.554 ( 3.937 -4.747 5.601) 8.331 5.587 ( -1.604 -5.836 -0.548) 6.077 5.609 ( -8.164 -0.543 -0.632) 8.207 5.796 ( -4.435 4.636 -0.425) 6.430 6.009 ( -5.512 -2.685 4.587) 7.657 6.176 ( 8.165 -0.980 2.135) 8.497 6.216 ( 0.401 -8.542 -6.776) 10.911 6.423 ( 8.369 -3.113 -3.017) 9.425 6.445 ( 8.157 -5.633 -2.061) 10.125 6.622 ( 0.230 -3.798 4.373) 5.797 6.809 ( -0.925 -3.226 -5.751) 6.659 6.885 ( 9.220 -0.883 0.240) 9.265 6.942 ( 9.313 -3.638 1.948) 10.187 7.048 ( 10.064 -4.320 -0.942) 10.992 7.228 ( -5.117 -9.515 -2.583) 11.108 7.335 ( -5.291 -4.572 2.276) 7.354 7.455 ( 2.633 -5.143 0.086) 5.778 7.564 ( 4.470 -5.829 4.932) 8.848 7.599 ( 5.780 -7.593 2.755) 9.933 7.762 ( 1.575 -1.009 0.423) 1.918 7.831 ( 4.960 -1.797 -2.615) 5.888 7.945 ( 5.471 -1.893 3.101) 6.567 8.019 ( 1.239 -3.703 4.357) 5.851 8.152 ( -1.544 -1.815 -4.826) 5.382 8.209 ( -5.729 0.496 1.649) 5.982 8.289 ( -2.897 1.715 -3.107) 4.581 8.375 ( 1.379 -3.350 4.328) 5.644 8.496 ( -3.409 -1.085 2.836) 4.565 8.547 ( 1.661 -1.838 1.814) 3.070 8.626 ( 10.216 -4.484 -4.260) 11.943 8.716 ( -4.910 0.630 -7.153) 8.699 8.956 ( 4.930 -2.922 -4.244) 7.131 9.110 ( 5.000 -3.539 -3.623) 7.117 9.186 ( -4.224 -4.822 8.062) 10.300 9.217 ( 0.410 0.473 -1.764) 1.871 9.374 ( -2.226 3.323 -2.773) 4.867 9.390 ( 6.785 1.346 4.038) 8.010 9.489 ( 1.102 -0.434 2.872) 3.107 9.580 ( -6.329 -0.480 9.414) 11.353 9.624 ( 5.996 -7.280 -8.293) 12.559 9.686 ( 3.455 -3.371 0.733) 4.882 9.757 ( 3.685 7.202 2.781) 8.554 9.837 ( 10.343 2.949 0.884) 10.791 9.962 ( 7.529 -2.509 -4.592) 9.169 10.055 ( 3.341 1.875 -0.394) 3.852 10.164 ( 5.954 1.004 3.765) 7.115 10.306 ( 2.319 -6.226 -9.588) 11.665 10.422 ( -4.618 0.675 1.046) 4.783 10.459 ( -2.226 -1.590 3.631) 4.546 10.568 ( 4.128 -4.583 -2.854) 6.797 10.640 ( -1.230 2.664 9.345) 9.795 10.669 ( -5.843 -2.839 2.166) 6.848 10.732 ( 0.954 -2.045 -0.873) 2.420 10.764 ( 1.737 0.046 -1.230) 2.130 10.882 ( -2.253 -0.299 -0.666) 2.368 10.947 ( -2.611 4.292 2.405) 5.570 11.023 ( -3.149 1.803 -1.444) 3.905 11.224 ( 2.332 1.185 1.292) 2.917 11.270 ( -1.396 5.371 -3.022) 6.319 11.375 ( -4.100 -3.763 3.205) 6.422 11.393 ( -13.084 -3.908 -1.804) 13.773 11.467 ( 0.043 -0.991 -0.490) 1.106 11.480 ( -7.573 -6.690 -0.749) 10.132 11.677 ( 0.269 -4.507 3.095) 5.474 11.695 ( -7.204 -4.471 -6.714) 10.815 11.895 ( -9.110 -9.613 -2.366) 13.453 12.115 ( -1.103 1.088 2.203) 2.694 12.193 ( -10.788 -5.564 -1.424) 12.221 12.277 ( -0.261 -1.042 -4.186) 4.321 12.456 ( -4.782 -3.540 4.011) 7.176 12.520 ( -3.492 -2.985 1.261) 4.764 12.555 ( -9.394 -1.504 2.155) 9.755 12.658 ( 4.169 -3.123 -7.019) 8.740 12.924 ( 7.034 1.837 0.144) 7.271 13.047 ( -2.486 5.207 -2.567) 6.315 13.062 ( -0.325 3.477 2.236) 4.147 13.160 ( 2.878 6.513 1.092) 7.204 13.224 ( -0.563 6.104 0.003) 6.130 13.316 ( -0.875 -2.948 3.246) 4.472 13.508 ( -0.065 -2.539 -0.605) 2.611 13.737 ( 2.501 2.616 4.942) 6.126 13.837 ( 4.442 3.545 -5.403) 7.841 13.991 ( -1.709 2.219 -1.159) 3.032 14.169 ( 4.426 3.956 -2.941) 6.625 14.268 ( -1.728 6.820 -2.217) 7.376 14.319 ( -3.704 -1.676 -2.045) 4.551 14.368 ( -3.331 -1.915 0.046) 3.842 14.474 ( -2.297 2.595 3.295) 4.782 14.594 ( -7.388 -0.542 -0.337) 7.415 14.808 ( 4.480 3.993 6.777) 9.052 14.910 ( -0.234 -1.074 2.092) 2.364 15.021 ( 2.311 4.882 -3.228) 6.292 15.117 ( -3.711 -3.046 -1.293) 4.972 15.360 ( -0.037 2.279 0.320) 2.302 15.412 ( -0.128 3.394 5.066) 6.099 15.447 ( -2.530 4.085 0.875) 4.884 15.525 ( -9.880 -1.305 -3.458) 10.548 15.607 ( 1.798 1.484 -0.332) 2.355 15.663 ( -1.313 2.299 -0.679) 2.734 15.715 ( -2.707 4.349 1.663) 5.386 15.815 ( -0.588 1.265 2.480) 2.845 15.838 ( -1.634 2.701 0.575) 3.209 15.924 ( -2.929 -1.535 -2.329) 4.045 16.017 ( -0.161 2.344 1.837) 2.983 16.126 ( 1.483 2.785 2.941) 4.313 16.245 ( 0.932 1.928 -1.832) 2.818 16.320 ( 1.520 0.605 -2.199) 2.741 16.419 ( -4.242 4.497 -2.467) 6.656 16.530 ( -1.214 4.074 -2.351) 4.858 16.658 ( -3.114 0.441 7.468) 8.103 16.775 ( 0.710 2.406 -2.693) 3.680 16.941 ( 0.412 -2.836 -0.551) 2.919 16.943 ( 2.759 2.061 4.424) 5.607 17.029 ( 3.954 -2.726 -6.897) 8.404 17.151 ( -4.811 1.272 2.039) 5.378 17.200 ( 1.693 1.589 -1.769) 2.919 17.255 ( 4.192 -0.893 -2.707) 5.069 17.401 ( -0.202 -1.888 1.570) 2.463 17.433 ( -2.394 -0.947 3.871) 4.648 17.476 ( -1.874 -1.086 -3.064) 3.752 17.574 ( 2.839 1.434 2.559) 4.082 17.653 ( -2.966 2.457 -0.637) 3.904 17.780 ( 3.213 -3.771 -0.012) 4.954 18.405 ( -0.510 0.340 0.593) 0.853 18.431 ( -0.297 1.327 -0.849) 1.603 18.615 ( -0.652 -1.191 1.660) 2.145 18.746 ( 2.894 -1.661 -1.829) 3.805 19.515 ( -0.194 1.134 -0.206) 1.169 19.575 ( 0.279 2.267 -0.481) 2.335 20.020 ( -13.830 -12.187 8.060) 20.118 20.125 ( -2.779 -8.763 -6.024) 10.991 20.928 ( -0.483 1.986 1.364) 2.457 21.049 ( -0.614 -0.985 4.583) 4.727 21.319 ( -0.493 -1.435 -3.229) 3.568 21.340 ( -1.143 -3.912 -2.196) 4.629 21.534 ( 0.924 -4.040 -1.127) 4.295 21.604 ( 1.249 -0.576 2.346) 2.719 21.871 ( -0.568 -4.747 0.969) 4.878 21.939 ( 0.365 -0.958 0.450) 1.120 22.057 ( 2.409 -0.324 -1.442) 2.827 22.125 ( -0.869 -2.014 -0.037) 2.193 22.259 ( 3.407 0.750 2.049) 4.046 22.412 ( -3.717 -1.349 -3.484) 5.270 22.472 ( 0.684 5.763 0.466) 5.822 22.511 ( 3.652 1.768 -1.471) 4.316 22.621 ( -1.249 0.803 1.287) 1.965 22.783 ( 0.378 10.567 1.569) 10.690 22.895 ( 4.085 0.220 4.690) 6.223 22.956 ( -2.667 9.290 -2.265) 9.927 23.024 ( -4.295 5.700 -0.464) 7.152 23.265 ( 2.720 10.876 0.089) 11.212 23.357 ( -2.579 11.019 -1.410) 11.404 23.590 ( 3.173 8.857 -10.824) 14.341 23.861 ( 4.987 2.010 15.583) 16.484 24.577 ( 16.393 -0.131 -8.462) 18.449 ======================= Grid point 84 (42/75) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -1.757 26.314 2.662) 26.506 2.288 ( 0.596 26.791 0.753) 26.808 2.394 ( 4.295 22.626 -2.309) 23.146 2.784 ( 4.456 13.607 -7.917) 16.361 2.902 ( -2.852 13.767 4.368) 14.722 3.203 ( -2.986 17.017 15.123) 22.961 3.328 ( -3.818 1.694 0.608) 4.221 3.469 ( 3.752 -3.249 -3.594) 6.128 3.589 ( -4.358 -2.808 2.518) 5.764 3.704 ( 3.067 3.421 0.498) 4.621 3.771 ( -1.809 3.573 1.939) 4.450 3.893 ( -1.217 -1.922 8.416) 8.718 4.119 ( 5.821 1.860 -3.558) 7.071 4.137 ( -1.040 5.781 -14.481) 15.627 4.301 ( 2.424 -1.415 1.487) 3.176 4.341 ( 3.287 0.171 -1.964) 3.833 4.474 ( -2.481 -1.956 1.782) 3.628 4.506 ( 0.062 -0.632 3.606) 3.662 4.694 ( -6.214 2.382 -2.549) 7.126 4.741 ( 1.624 0.314 -2.833) 3.280 4.864 ( 6.857 -1.242 -0.625) 6.996 4.899 ( -4.744 -10.988 -0.197) 11.970 5.129 ( 2.388 -5.393 0.519) 5.921 5.174 ( -2.332 -2.742 6.915) 7.796 5.251 ( -7.811 -4.187 -0.373) 8.871 5.518 ( -3.385 2.366 -7.281) 8.371 5.620 ( 3.259 0.617 -4.774) 5.814 5.638 ( 9.411 6.167 -11.975) 16.432 5.840 ( 1.003 4.673 -1.848) 5.124 5.867 ( -4.315 1.867 6.540) 8.055 6.051 ( -0.616 -2.578 -6.232) 6.772 6.235 ( -1.876 -2.618 -10.850) 11.318 6.358 ( -1.750 -1.513 6.631) 7.023 6.468 ( -1.099 -0.767 5.828) 5.980 6.635 ( -0.764 -7.125 6.307) 9.547 6.725 ( -2.627 -8.321 -1.137) 8.799 6.819 ( 5.799 -1.454 -1.203) 6.098 6.911 ( 4.342 -12.895 0.234) 13.608 7.022 ( 5.656 -3.105 -0.401) 6.465 7.127 ( -2.682 -1.028 1.840) 3.411 7.256 ( 1.945 2.234 1.343) 3.253 7.365 ( -5.547 -6.298 -1.658) 8.555 7.456 ( -2.273 -6.812 5.356) 8.959 7.645 ( -0.478 -2.782 3.441) 4.451 7.788 ( -0.294 -2.308 3.020) 3.812 7.871 ( 3.283 2.495 1.752) 4.480 7.947 ( -4.969 -4.971 1.873) 7.274 8.072 ( 0.936 -4.714 -7.382) 8.809 8.097 ( -6.940 -0.485 0.082) 6.958 8.160 ( 7.876 1.771 -1.832) 8.278 8.266 ( -2.163 0.933 6.878) 7.270 8.315 ( 1.754 0.783 -2.309) 3.003 8.382 ( 2.127 -1.683 -0.209) 2.721 8.567 ( 3.184 -3.048 1.643) 4.704 8.676 ( 1.225 -2.125 -0.055) 2.453 8.742 ( 0.130 1.114 6.674) 6.767 8.864 ( 0.652 -0.261 -3.888) 3.951 9.076 ( 5.117 1.207 -1.438) 5.451 9.115 ( -3.243 -3.262 -3.515) 5.789 9.181 ( -0.597 -6.237 -5.221) 8.156 9.252 ( -7.845 -0.282 -4.099) 8.856 9.350 ( 1.897 -1.385 -3.586) 4.287 9.488 ( 1.432 -2.085 1.763) 3.084 9.558 ( -3.108 -0.358 6.328) 7.059 9.621 ( 0.476 -1.376 0.385) 1.506 9.734 ( -3.422 0.286 7.506) 8.255 9.882 ( 0.963 -0.388 -4.081) 4.211 9.928 ( 0.318 4.451 -2.759) 5.246 10.048 ( 2.658 -6.995 1.218) 7.582 10.107 ( -0.127 -1.015 0.888) 1.355 10.225 ( 3.795 -6.198 6.487) 9.742 10.297 ( 5.254 -7.095 -0.321) 8.834 10.395 ( 3.050 1.675 -6.430) 7.311 10.453 ( 1.183 2.280 7.310) 7.749 10.514 ( -3.862 -1.718 -3.646) 5.582 10.548 ( -4.608 1.575 0.782) 4.932 10.602 ( -2.565 -4.657 1.567) 5.543 10.722 ( -8.948 10.378 -0.331) 13.707 10.787 ( -3.883 -4.829 0.772) 6.244 10.861 ( 5.847 0.960 -1.484) 6.108 10.906 ( -2.040 -2.314 4.709) 5.630 10.973 ( 0.750 -0.837 -1.292) 1.712 11.067 ( 6.033 -5.676 5.736) 10.076 11.100 ( -3.821 -1.060 -4.532) 6.022 11.243 ( -2.193 -1.584 -5.438) 6.074 11.384 ( 1.388 0.386 -2.173) 2.607 11.397 ( 5.426 -3.618 0.684) 6.557 11.496 ( -6.176 -7.708 0.564) 9.893 11.618 ( 2.084 4.366 -2.807) 5.593 11.649 ( 6.765 0.250 0.215) 6.773 11.691 ( 3.914 -0.010 -2.802) 4.814 11.844 ( -3.577 -5.049 -5.490) 8.272 12.167 ( -5.536 3.075 0.454) 6.349 12.225 ( -0.366 1.086 -3.424) 3.610 12.353 ( -2.841 -2.920 5.821) 7.105 12.447 ( -0.300 -0.403 4.174) 4.204 12.539 ( 0.479 0.940 2.912) 3.097 12.661 ( 7.118 -1.335 -5.264) 8.953 13.019 ( 2.416 -1.053 1.249) 2.917 13.058 ( -1.543 -2.027 -0.113) 2.550 13.129 ( -0.112 2.813 1.765) 3.322 13.224 ( 0.059 0.039 -1.630) 1.632 13.275 ( -1.793 1.334 4.080) 4.652 13.412 ( -0.884 -3.533 -2.403) 4.363 13.474 ( 2.920 6.819 4.694) 8.778 13.700 ( -3.390 -1.356 -3.420) 5.003 13.933 ( 3.112 0.283 -4.300) 5.316 13.984 ( -0.253 -0.969 -2.030) 2.264 14.155 ( -8.108 3.449 3.043) 9.321 14.238 ( 3.535 1.111 -2.259) 4.340 14.347 ( 0.364 1.076 3.693) 3.864 14.464 ( 2.182 8.794 -0.958) 9.111 14.495 ( -3.041 -0.969 -0.194) 3.197 14.589 ( 1.680 7.593 -6.563) 10.176 14.861 ( 1.046 -4.165 0.868) 4.381 14.931 ( -1.238 -0.946 -1.704) 2.309 15.024 ( -4.826 5.342 0.060) 7.199 15.146 ( 4.146 5.983 -2.893) 7.833 15.333 ( 0.859 -2.784 4.186) 5.099 15.468 ( -2.555 0.161 0.682) 2.650 15.543 ( -0.919 5.559 5.127) 7.618 15.643 ( 2.354 0.855 9.609) 9.930 15.710 ( 1.374 2.948 -0.863) 3.365 15.736 ( 3.413 3.978 -1.135) 5.363 15.802 ( -0.381 3.186 -0.379) 3.231 15.822 ( 1.324 0.045 0.166) 1.335 15.862 ( 0.052 0.771 -2.001) 2.145 15.885 ( -2.687 4.404 1.298) 5.320 16.049 ( -2.488 2.734 1.555) 4.010 16.145 ( -1.339 0.415 2.176) 2.588 16.310 ( 5.436 -2.240 -2.546) 6.406 16.363 ( 0.611 6.529 -7.342) 9.844 16.462 ( -3.924 3.298 0.831) 5.193 16.475 ( -1.821 -0.323 2.358) 2.996 16.705 ( 4.602 -3.343 -1.343) 5.844 16.760 ( -2.962 -1.026 -0.752) 3.224 16.912 ( -0.364 0.907 -1.755) 2.009 16.927 ( 0.668 0.879 -0.610) 1.261 17.124 ( -0.600 0.719 1.366) 1.656 17.146 ( 1.946 2.435 1.954) 3.679 17.210 ( -2.308 0.343 -0.976) 2.529 17.253 ( 2.434 -2.279 -2.943) 4.447 17.377 ( -0.878 -0.878 0.117) 1.247 17.389 ( 0.826 -2.433 -0.457) 2.610 17.472 ( -0.080 2.563 3.955) 4.713 17.638 ( -3.146 0.020 -3.766) 4.907 17.680 ( -2.339 1.856 3.878) 4.894 17.769 ( 4.448 0.103 0.401) 4.467 18.393 ( -0.329 -0.544 0.594) 0.870 18.429 ( 0.550 -0.558 -1.164) 1.403 18.608 ( -0.842 -0.323 2.431) 2.593 18.717 ( 0.806 -2.231 -2.558) 3.489 19.547 ( -0.110 1.642 1.595) 2.292 19.618 ( 0.631 2.718 -1.512) 3.173 19.757 ( -3.461 -5.023 3.807) 7.191 19.918 ( 2.613 -7.065 -3.710) 8.397 20.993 ( 0.486 0.810 3.285) 3.418 21.058 ( -0.712 -1.263 4.988) 5.195 21.196 ( -0.255 -1.931 -5.821) 6.138 21.285 ( 0.513 -1.465 -4.741) 4.989 21.491 ( 0.836 -1.471 1.785) 2.460 21.578 ( -0.831 -2.366 -2.249) 3.369 21.851 ( 0.408 0.199 5.864) 5.881 21.946 ( -0.158 0.036 2.190) 2.196 22.029 ( -1.328 -2.322 -2.999) 4.019 22.070 ( 0.883 -0.596 -2.276) 2.513 22.287 ( -3.954 -0.797 1.192) 4.206 22.338 ( 4.670 -2.522 1.165) 5.434 22.518 ( -2.797 2.884 -2.765) 4.878 22.558 ( 1.106 1.107 -2.721) 3.139 22.704 ( 3.115 2.186 6.088) 7.179 22.863 ( -1.818 -1.302 -0.912) 2.415 23.008 ( -0.726 9.254 0.492) 9.296 23.119 ( -0.987 7.397 -1.591) 7.630 23.198 ( 2.397 6.263 4.481) 8.065 23.407 ( 0.002 0.411 -6.058) 6.072 23.609 ( -0.617 12.865 -0.056) 12.880 23.682 ( -0.647 10.950 -3.276) 11.448 24.120 ( 0.413 2.544 11.868) 12.144 24.528 ( 0.073 -7.623 -8.029) 11.072 ======================= Grid point 85 (43/75) ======================= q-point: ( 0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 11.687 24.362 1.912) 27.088 2.370 ( 6.185 23.118 3.241) 24.150 2.480 ( 7.886 23.938 -2.869) 25.366 2.784 ( 8.026 21.363 -17.332) 28.656 2.957 ( -1.410 12.442 12.761) 17.878 3.268 ( 0.891 -2.877 -5.464) 6.239 3.356 ( 2.751 5.648 10.712) 12.418 3.445 ( -6.494 3.079 -0.048) 7.187 3.540 ( 0.213 0.362 9.013) 9.022 3.782 ( 3.859 8.470 2.627) 9.671 3.823 ( 1.056 2.609 4.914) 5.663 3.920 ( 0.562 3.653 -4.347) 5.706 3.975 ( -2.059 6.396 -5.340) 8.583 4.130 ( -0.422 2.369 -8.257) 8.601 4.303 ( 0.302 -1.743 -1.789) 2.516 4.346 ( -5.807 1.914 -1.914) 6.407 4.449 ( -2.811 -3.138 4.685) 6.301 4.486 ( -8.982 5.956 -0.299) 10.781 4.525 ( 0.152 -4.426 -2.017) 4.866 4.723 ( -4.133 1.449 0.676) 4.431 4.830 ( -1.707 -4.385 1.198) 4.855 4.996 ( 1.751 -5.318 -0.073) 5.599 5.118 ( 2.266 -4.885 2.007) 5.747 5.218 ( 2.929 -4.548 5.070) 7.414 5.244 ( 2.714 -0.462 2.703) 3.858 5.424 ( -1.276 -3.618 -3.489) 5.185 5.579 ( 2.934 3.205 -8.901) 9.905 5.686 ( 4.790 -7.005 -9.039) 12.398 5.801 ( -6.502 0.133 3.123) 7.214 5.897 ( -6.751 2.197 -4.498) 8.405 5.997 ( 7.388 1.485 4.225) 8.640 6.103 ( -2.457 1.174 -5.663) 6.284 6.312 ( -11.890 -8.017 6.520) 15.753 6.489 ( -6.745 4.095 12.345) 14.652 6.591 ( -6.413 -0.352 -6.293) 8.992 6.655 ( -1.364 -7.150 3.859) 8.239 6.814 ( -10.253 -13.238 -9.985) 19.495 6.878 ( -2.082 -8.752 -2.270) 9.278 6.936 ( 1.500 2.419 -7.084) 7.634 7.156 ( -11.438 -0.451 -1.964) 11.615 7.301 ( 1.357 -6.674 2.970) 7.431 7.378 ( 2.779 -0.324 14.013) 14.290 7.421 ( 0.975 -7.050 -0.028) 7.117 7.606 ( -11.436 -9.807 4.695) 15.779 7.673 ( -11.961 1.253 1.479) 12.117 7.815 ( -5.936 -2.129 1.772) 6.551 7.865 ( -8.526 -5.152 -6.875) 12.104 7.930 ( 0.120 1.653 4.488) 4.784 8.082 ( 2.694 -2.782 -3.849) 5.460 8.188 ( -4.737 -3.210 -0.035) 5.722 8.329 ( -1.215 -4.710 0.428) 4.883 8.370 ( 5.129 1.395 0.605) 5.349 8.437 ( 4.640 4.238 -1.923) 6.572 8.630 ( -0.992 -3.779 -3.003) 4.928 8.702 ( -6.726 3.090 -0.751) 7.440 8.799 ( 9.974 0.590 -5.668) 11.487 8.829 ( 1.008 -2.535 5.609) 6.237 8.990 ( -5.683 -3.469 2.668) 7.173 9.063 ( -1.974 -0.723 -0.049) 2.103 9.162 ( 2.212 -6.768 -8.691) 11.235 9.232 ( 4.737 6.258 5.837) 9.782 9.357 ( -1.211 -3.292 -4.621) 5.801 9.427 ( -6.761 -1.409 2.367) 7.301 9.541 ( -4.118 -0.173 5.453) 6.836 9.622 ( 1.285 0.487 -2.814) 3.132 9.740 ( -2.129 -1.820 6.336) 6.928 9.856 ( -0.853 -0.234 -5.474) 5.545 9.904 ( -11.511 4.613 1.413) 12.481 9.955 ( 1.123 2.493 -0.301) 2.751 10.152 ( -2.958 -7.150 6.358) 10.015 10.214 ( -4.246 5.395 -3.258) 7.599 10.263 ( -8.319 -5.445 -4.563) 10.939 10.331 ( -5.230 0.568 5.116) 7.338 10.425 ( 1.843 -3.147 1.008) 3.783 10.535 ( 0.242 -4.698 0.529) 4.734 10.578 ( 2.786 -2.838 0.915) 4.081 10.629 ( 4.385 -1.857 6.809) 8.309 10.657 ( 4.870 1.172 -4.410) 6.674 10.869 ( 4.895 -0.339 1.409) 5.105 10.901 ( 5.224 1.292 -5.990) 8.052 10.962 ( 0.801 -0.527 -2.210) 2.409 10.994 ( 5.122 -0.656 4.112) 6.601 11.098 ( 2.863 0.982 -1.003) 3.188 11.165 ( 0.703 -2.045 -4.881) 5.339 11.246 ( 3.536 -3.956 5.185) 7.419 11.319 ( 0.811 -0.455 1.481) 1.749 11.516 ( 7.520 -4.095 -0.907) 8.611 11.553 ( 9.417 -1.597 2.265) 9.816 11.693 ( 4.991 2.828 -5.768) 8.135 11.717 ( 3.481 -1.382 -1.273) 3.956 11.769 ( 5.200 -4.245 -1.888) 6.973 11.885 ( 9.311 -0.984 -3.534) 10.007 12.101 ( 4.105 -3.247 0.070) 5.235 12.191 ( -5.446 -1.909 5.262) 7.810 12.377 ( 0.991 -2.267 -0.763) 2.589 12.517 ( 4.164 0.447 -0.309) 4.199 12.566 ( 2.044 2.539 0.628) 3.320 12.759 ( 7.072 -1.239 -3.714) 8.084 12.959 ( -6.661 -1.776 -1.320) 7.019 13.042 ( -1.990 2.156 0.413) 2.963 13.154 ( 0.259 2.405 4.165) 4.816 13.208 ( -0.437 -4.849 -0.727) 4.922 13.294 ( -0.495 5.550 2.239) 6.005 13.378 ( 0.132 -1.806 -1.875) 2.606 13.557 ( -2.810 5.948 -1.799) 6.820 13.601 ( 2.025 -0.318 4.343) 4.802 13.924 ( -0.586 -2.346 -3.090) 3.924 13.997 ( 0.769 -1.394 0.881) 1.819 14.104 ( 1.450 5.780 -0.207) 5.963 14.299 ( 3.425 3.480 -1.109) 5.007 14.373 ( -0.153 4.198 2.756) 5.024 14.465 ( -0.254 3.349 0.175) 3.364 14.545 ( 4.072 3.863 -5.141) 7.612 14.574 ( 5.199 1.135 0.922) 5.400 14.811 ( -7.436 -0.894 -1.163) 7.579 14.882 ( -0.203 -2.921 -0.286) 2.942 14.995 ( -0.175 4.027 1.728) 4.386 15.202 ( 3.634 5.928 -1.046) 7.031 15.393 ( -2.546 -1.856 0.257) 3.161 15.430 ( 1.193 -0.152 3.970) 4.148 15.568 ( 0.357 7.244 2.646) 7.721 15.715 ( -0.682 -0.162 1.287) 1.465 15.749 ( 1.797 3.274 0.484) 3.766 15.784 ( 0.520 -0.438 1.566) 1.708 15.800 ( 2.182 2.196 -0.571) 3.148 15.820 ( 1.624 -2.121 -3.588) 4.474 15.871 ( 1.688 4.037 0.830) 4.454 15.902 ( 2.521 3.046 -1.220) 4.138 16.045 ( -1.258 3.163 4.348) 5.522 16.126 ( -1.832 0.975 0.366) 2.107 16.291 ( 0.050 1.719 -3.911) 4.273 16.381 ( 3.623 2.176 -3.804) 5.686 16.438 ( -0.824 1.320 4.357) 4.626 16.517 ( 3.668 1.129 1.686) 4.192 16.675 ( -2.787 -1.683 -4.301) 5.394 16.777 ( 2.717 -2.954 -1.416) 4.256 16.891 ( -1.142 3.344 0.932) 3.655 16.930 ( 0.857 -0.144 -1.436) 1.678 17.110 ( -2.415 -0.140 2.040) 3.164 17.144 ( -2.902 0.374 -1.618) 3.343 17.195 ( 0.465 1.140 0.448) 1.310 17.259 ( 1.716 -1.035 -2.055) 2.871 17.355 ( -1.182 0.186 0.459) 1.282 17.422 ( 2.377 -0.827 -0.468) 2.560 17.501 ( -1.948 1.311 3.022) 3.827 17.568 ( -1.099 -0.920 0.363) 1.479 17.654 ( -3.166 2.219 1.388) 4.108 17.829 ( 2.628 -0.094 -1.126) 2.861 18.399 ( 0.494 -0.117 0.535) 0.738 18.437 ( 1.272 -0.774 -1.054) 1.825 18.613 ( -1.163 -0.665 2.445) 2.787 18.695 ( -0.418 -1.486 -2.394) 2.848 19.567 ( 0.640 1.894 1.308) 2.389 19.622 ( 1.398 2.829 -1.535) 3.509 19.772 ( 1.030 -4.779 3.197) 5.841 19.978 ( 7.145 -8.690 -2.760) 11.584 21.035 ( 0.133 -1.844 2.723) 3.292 21.092 ( -1.042 -1.555 5.757) 6.054 21.151 ( 1.342 -0.690 -4.502) 4.748 21.244 ( 0.418 -2.075 -5.384) 5.785 21.521 ( -0.586 -1.348 0.046) 1.471 21.543 ( 0.378 -1.778 -0.216) 1.830 21.883 ( -2.751 -0.821 3.116) 4.237 21.958 ( -0.881 -0.151 1.606) 1.838 22.004 ( 1.883 -1.707 0.152) 2.547 22.056 ( 0.034 -0.240 -2.286) 2.299 22.263 ( -0.297 0.650 1.618) 1.769 22.416 ( 3.160 -1.172 -2.116) 3.979 22.453 ( -3.180 2.803 0.181) 4.243 22.567 ( 2.846 0.029 -0.973) 3.007 22.749 ( -4.167 2.733 -1.003) 5.083 22.833 ( 1.942 1.196 2.235) 3.193 23.011 ( -1.880 6.407 3.160) 7.388 23.114 ( 2.134 6.366 -1.768) 6.943 23.260 ( -0.498 4.032 -0.874) 4.156 23.331 ( 0.083 0.472 -2.968) 3.007 23.583 ( -3.101 13.389 1.404) 13.815 23.650 ( -0.156 12.475 -1.318) 12.545 24.180 ( -5.916 1.844 11.358) 12.938 24.365 ( -8.310 -4.542 -10.027) 13.792 ======================= Grid point 86 (44/75) ======================= q-point: ( 0.29 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 9.183 18.991 6.356) 22.031 2.553 ( 17.146 20.044 3.645) 26.628 2.640 ( 15.703 24.240 -6.653) 29.638 2.775 ( 8.682 23.782 -13.432) 28.660 3.045 ( 1.100 13.189 5.848) 14.470 3.161 ( -9.272 4.337 0.449) 10.246 3.359 ( -0.765 5.129 -3.471) 6.241 3.506 ( 0.029 2.943 5.417) 6.165 3.660 ( 0.111 2.014 11.000) 11.184 3.769 ( -6.492 4.826 -1.922) 8.315 3.821 ( 1.239 8.878 -2.835) 9.402 3.952 ( 7.925 3.599 -4.202) 9.665 3.980 ( -0.824 12.506 1.732) 12.653 3.996 ( -4.145 -0.831 -4.854) 6.437 4.197 ( -0.612 2.286 -1.614) 2.864 4.303 ( 1.620 0.518 -4.436) 4.751 4.380 ( -1.570 -0.791 -7.348) 7.555 4.429 ( -2.512 0.639 3.791) 4.593 4.547 ( 0.810 -5.287 4.977) 7.306 4.663 ( -3.840 3.421 5.566) 7.578 4.854 ( -0.513 -1.517 3.568) 3.911 4.975 ( -2.818 -0.638 0.938) 3.038 5.144 ( -2.416 1.218 -2.807) 3.899 5.271 ( 3.580 -1.518 0.115) 3.890 5.322 ( -3.536 -7.303 -1.933) 8.341 5.419 ( 4.656 -7.354 -3.156) 9.258 5.574 ( 2.590 -6.542 -2.984) 7.643 5.679 ( -1.064 -2.831 4.053) 5.057 5.747 ( -1.070 -6.462 5.439) 8.514 5.792 ( -3.144 3.449 -0.799) 4.735 6.035 ( -2.700 -3.911 0.367) 4.767 6.115 ( -14.037 -6.239 4.723) 16.071 6.136 ( 2.974 0.439 3.048) 4.282 6.329 ( -10.733 3.760 -5.624) 12.687 6.388 ( -13.320 -3.409 -2.554) 13.985 6.561 ( -7.954 -15.339 4.708) 17.909 6.712 ( -2.532 -5.606 1.876) 6.431 6.785 ( -4.361 -4.811 -4.515) 7.909 6.867 ( -2.672 4.764 -3.673) 6.582 6.973 ( -2.937 3.022 1.479) 4.466 7.269 ( -14.508 -6.740 -5.178) 16.814 7.279 ( -8.565 -12.031 4.898) 15.559 7.426 ( 0.294 -6.595 -3.143) 7.311 7.564 ( -0.511 -4.961 0.921) 5.072 7.591 ( -4.197 -8.072 -3.307) 9.680 7.665 ( -1.691 -1.213 5.170) 5.573 7.803 ( -0.321 -5.069 4.376) 6.704 7.956 ( -2.203 -4.184 -4.349) 6.424 8.014 ( -7.658 -5.742 1.486) 9.687 8.092 ( -4.088 1.063 2.721) 5.025 8.222 ( -4.567 -1.049 -0.297) 4.695 8.392 ( -3.193 -0.755 2.532) 4.145 8.499 ( 1.881 2.189 -1.812) 3.408 8.553 ( -1.577 1.846 -6.115) 6.579 8.658 ( 3.642 3.409 -2.645) 5.646 8.788 ( -1.011 -6.833 -7.738) 10.372 8.901 ( 0.177 0.657 -4.638) 4.687 8.976 ( -2.016 -4.182 4.665) 6.582 9.070 ( 1.478 3.597 3.700) 5.368 9.174 ( -2.886 -3.802 1.829) 5.111 9.258 ( 0.604 0.686 0.126) 0.923 9.317 ( -1.849 -0.694 -0.497) 2.037 9.419 ( -0.486 1.202 5.249) 5.407 9.526 ( 1.736 -1.516 1.207) 2.601 9.554 ( -2.435 3.524 -1.056) 4.412 9.714 ( -2.962 9.378 3.574) 10.464 9.762 ( -5.031 -0.972 1.478) 5.333 9.842 ( 1.695 3.463 -5.051) 6.354 9.980 ( 0.192 1.666 4.740) 5.028 10.033 ( -7.172 -5.575 -7.384) 11.707 10.192 ( 3.089 8.178 -0.535) 8.758 10.216 ( -1.715 -2.937 5.641) 6.587 10.332 ( -2.784 -4.088 1.533) 5.178 10.444 ( 1.153 -3.789 -3.145) 5.058 10.551 ( 3.448 -0.447 -0.863) 3.582 10.605 ( 1.505 -6.841 5.556) 8.941 10.687 ( 0.401 -2.736 -2.544) 3.758 10.699 ( 3.904 3.878 -0.111) 5.504 10.870 ( -5.666 0.897 -4.065) 7.031 10.921 ( 1.518 2.012 -1.717) 3.050 11.031 ( 2.369 -3.321 1.600) 4.382 11.092 ( 6.553 -3.214 -0.601) 7.323 11.179 ( 8.933 -2.401 -0.855) 9.290 11.209 ( 2.191 1.601 4.689) 5.418 11.349 ( 4.051 -6.750 1.275) 7.975 11.418 ( -0.060 4.747 3.807) 6.085 11.631 ( 7.415 -2.813 2.020) 8.184 11.677 ( 6.019 -7.131 -4.618) 10.412 11.721 ( 3.646 0.575 -3.329) 4.970 11.787 ( 7.775 2.769 -3.941) 9.146 11.906 ( 9.807 -1.773 0.448) 9.976 12.032 ( 6.329 -5.741 0.920) 8.594 12.116 ( -2.506 0.891 4.943) 5.614 12.252 ( 0.165 -6.195 2.959) 6.867 12.400 ( 6.073 -5.368 -1.332) 8.214 12.532 ( 1.344 -3.745 -3.349) 5.201 12.618 ( 2.849 4.684 -0.760) 5.535 12.811 ( 1.675 1.984 -1.950) 3.247 12.831 ( -3.171 -1.924 -4.867) 6.119 13.053 ( 0.323 3.931 3.244) 5.107 13.143 ( -2.614 -4.328 -1.970) 5.427 13.226 ( 0.944 0.595 3.863) 4.021 13.292 ( -0.705 5.344 0.671) 5.432 13.375 ( 1.570 2.016 -1.160) 2.806 13.499 ( -0.559 3.597 -2.469) 4.398 13.744 ( 5.508 -1.639 7.447) 9.407 13.866 ( -1.612 -1.280 -5.155) 5.551 13.997 ( -3.352 0.367 4.235) 5.413 14.159 ( 4.964 4.924 -2.241) 7.342 14.322 ( 0.653 5.542 1.568) 5.797 14.420 ( 0.323 5.507 1.431) 5.699 14.441 ( -0.751 3.331 -0.544) 3.458 14.581 ( 2.048 -2.865 -0.088) 3.522 14.696 ( -3.034 0.508 2.612) 4.035 14.709 ( 7.398 -1.888 -1.432) 7.769 14.871 ( -0.989 0.398 -0.070) 1.068 15.007 ( 0.132 1.691 -1.647) 2.364 15.242 ( 1.000 3.843 0.659) 4.025 15.324 ( -3.414 -2.750 -0.374) 4.400 15.487 ( 1.271 3.658 1.317) 4.091 15.595 ( -0.395 6.260 1.264) 6.399 15.676 ( -1.677 1.536 -3.082) 3.831 15.767 ( 0.488 0.242 -2.362) 2.424 15.793 ( 1.455 1.618 -0.173) 2.182 15.818 ( 3.091 0.433 -2.001) 3.707 15.854 ( 0.086 -2.310 0.372) 2.342 15.939 ( 2.139 -0.083 1.879) 2.848 15.948 ( 6.205 3.975 -1.067) 7.446 16.054 ( -0.736 5.404 3.392) 6.422 16.083 ( -2.617 -0.787 -0.898) 2.876 16.291 ( 2.322 -1.406 -2.215) 3.504 16.429 ( 3.952 3.742 -0.100) 5.443 16.480 ( -0.633 0.852 6.233) 6.323 16.558 ( -3.671 -0.679 -4.113) 5.554 16.618 ( 3.896 1.376 0.470) 4.159 16.779 ( -1.359 2.729 0.656) 3.118 16.891 ( -0.082 1.371 0.810) 1.595 16.940 ( 2.553 -2.825 -2.691) 4.663 17.068 ( -2.858 1.834 -3.066) 4.575 17.077 ( -2.924 -0.195 1.773) 3.425 17.190 ( -0.376 -1.969 -1.252) 2.363 17.285 ( 1.336 -0.289 1.110) 1.761 17.348 ( -0.287 1.637 1.472) 2.220 17.460 ( 2.143 -0.460 -0.227) 2.204 17.474 ( -2.441 1.305 1.560) 3.177 17.549 ( -3.561 -0.329 0.599) 3.626 17.635 ( 0.443 2.507 1.253) 2.838 17.842 ( 1.092 -0.800 -2.950) 3.246 18.418 ( 0.930 0.245 0.483) 1.077 18.450 ( 1.150 -0.685 -0.840) 1.580 18.612 ( -1.160 -0.649 1.878) 2.301 18.669 ( -0.227 -0.776 -1.733) 1.912 19.586 ( 0.880 3.122 -0.072) 3.244 19.643 ( 1.806 2.553 -0.723) 3.210 19.831 ( 1.713 -5.447 3.730) 6.820 20.099 ( 8.151 -12.350 -2.331) 14.980 21.025 ( -0.281 -0.838 -2.775) 2.912 21.123 ( -1.808 -1.593 6.393) 6.833 21.181 ( 2.717 -2.392 0.613) 3.672 21.205 ( 0.381 -2.825 -4.344) 5.196 21.481 ( -1.403 -0.666 -1.441) 2.119 21.577 ( 1.035 -1.658 1.479) 2.451 21.841 ( -2.258 -0.725 -0.483) 2.420 21.946 ( -1.011 -0.298 0.029) 1.055 22.025 ( -0.115 -0.482 -0.907) 1.034 22.078 ( 2.120 -1.351 1.768) 3.073 22.295 ( 2.316 2.564 0.811) 3.549 22.403 ( -2.511 2.594 0.922) 3.726 22.418 ( -0.949 0.954 -0.685) 1.510 22.633 ( 4.534 -0.442 -1.108) 4.688 22.646 ( -3.949 2.751 -2.258) 5.316 22.875 ( -1.088 -0.913 1.521) 2.081 22.991 ( -1.602 5.778 0.801) 6.050 23.139 ( 0.976 4.713 -0.560) 4.845 23.195 ( -0.684 6.290 -1.722) 6.557 23.390 ( 4.123 2.404 1.222) 4.927 23.538 ( -2.804 10.964 1.686) 11.442 23.648 ( 0.306 8.780 -0.081) 8.785 24.093 ( -10.662 1.540 -9.081) 14.089 24.125 ( -10.026 3.149 8.019) 13.219 ======================= Grid point 87 (45/75) ======================= q-point: ( 0.43 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 0.103 14.415 7.942) 16.458 2.802 ( 14.666 22.670 -6.092) 27.679 2.837 ( 8.314 20.269 -3.757) 22.228 2.917 ( 8.728 16.528 -3.042) 18.937 3.073 ( -4.859 13.843 0.165) 14.672 3.097 ( 8.633 14.304 0.879) 16.730 3.247 ( -5.953 10.901 0.614) 12.435 3.489 ( -8.817 11.445 10.194) 17.682 3.580 ( -5.813 4.189 -6.034) 9.367 3.672 ( -2.161 6.820 -1.523) 7.314 3.774 ( -7.748 7.944 2.536) 11.383 3.973 ( 3.848 3.787 -4.029) 6.736 4.032 ( 5.874 3.038 2.008) 6.912 4.074 ( 6.840 2.865 -6.183) 9.655 4.245 ( 0.751 2.687 -1.033) 2.975 4.296 ( 2.009 -0.756 -0.487) 2.201 4.344 ( 5.739 0.977 -4.634) 7.441 4.437 ( 1.744 -5.020 0.580) 5.346 4.557 ( -7.094 -1.687 0.469) 7.307 4.672 ( -1.314 4.899 6.810) 8.492 4.849 ( -0.009 -0.166 -0.240) 0.292 4.908 ( -3.808 -2.705 -1.739) 4.984 5.105 ( -0.174 -0.129 -0.809) 0.837 5.190 ( -2.352 -0.889 -5.614) 6.151 5.305 ( -3.338 -2.041 4.485) 5.952 5.452 ( 3.273 -7.389 -3.450) 8.787 5.587 ( 2.166 -2.233 -0.207) 3.117 5.665 ( -1.991 -11.293 2.059) 11.651 5.741 ( -3.424 -2.214 2.849) 4.974 5.818 ( -4.475 -1.649 7.198) 8.634 5.905 ( -4.898 -5.449 -2.020) 7.601 6.026 ( -5.416 -7.713 5.412) 10.868 6.150 ( 0.163 -4.499 -7.880) 9.075 6.158 ( -0.006 -2.520 1.497) 2.932 6.312 ( 0.547 -3.883 9.248) 10.045 6.487 ( -5.511 -12.716 7.392) 15.707 6.623 ( -3.404 -2.839 -0.051) 4.433 6.704 ( -1.495 1.234 -3.774) 4.243 6.877 ( 0.935 -6.471 -0.312) 6.546 6.943 ( -7.580 -0.291 -1.961) 7.835 7.035 ( 2.636 2.400 -5.606) 6.644 7.147 ( -6.999 -13.071 1.088) 14.867 7.370 ( 1.165 -9.693 -4.521) 10.759 7.499 ( -4.379 -6.390 2.426) 8.118 7.598 ( 4.778 -2.858 -1.833) 5.862 7.704 ( -3.334 -11.409 -6.110) 13.364 7.781 ( -3.950 -5.139 4.279) 7.767 7.794 ( -2.654 -4.760 -0.778) 5.505 8.059 ( 1.510 3.212 5.475) 6.525 8.077 ( -3.880 -4.611 7.219) 9.404 8.230 ( 3.984 -4.984 7.092) 9.540 8.309 ( -5.649 3.039 -0.313) 6.422 8.487 ( -0.441 5.156 -3.307) 6.141 8.519 ( 4.238 3.145 -1.654) 5.530 8.688 ( 1.830 -7.752 -8.663) 11.768 8.726 ( 0.147 7.670 -1.637) 7.844 8.854 ( 1.130 -6.995 -3.437) 7.875 8.974 ( -0.364 -3.872 2.853) 4.824 9.033 ( -4.495 4.314 -0.418) 6.244 9.145 ( -0.389 -3.412 1.483) 3.740 9.273 ( 0.165 2.728 -0.768) 2.839 9.324 ( 0.169 -1.533 1.262) 1.993 9.438 ( -2.035 5.989 3.397) 7.180 9.517 ( 1.580 2.891 -4.046) 5.218 9.593 ( -2.837 5.032 0.209) 5.780 9.639 ( -5.597 4.011 -8.800) 11.174 9.723 ( -3.618 9.708 2.287) 10.610 9.840 ( 5.907 -2.687 -0.088) 6.490 9.900 ( -2.405 -3.510 -0.546) 4.290 10.035 ( 2.922 -4.112 -0.661) 5.088 10.092 ( -2.660 -0.734 -6.430) 6.997 10.291 ( 2.841 -0.406 3.074) 4.205 10.369 ( 0.420 -1.365 -0.552) 1.532 10.447 ( 1.217 -4.645 3.353) 5.857 10.563 ( -2.304 -0.756 -0.493) 2.474 10.621 ( -0.048 -4.785 0.057) 4.786 10.704 ( -0.821 3.968 -0.894) 4.149 10.789 ( 2.118 0.351 1.968) 2.913 10.835 ( 4.492 7.251 0.228) 8.533 10.953 ( 3.646 3.974 1.858) 5.704 10.981 ( -4.169 -3.761 2.645) 6.207 11.180 ( -7.496 6.104 10.280) 14.111 11.236 ( 4.794 -4.596 -1.733) 6.864 11.317 ( 5.490 -5.479 -1.609) 7.921 11.421 ( 2.535 -5.765 2.217) 6.677 11.428 ( 1.175 -1.976 -3.211) 3.949 11.676 ( 3.141 -5.068 -5.914) 8.398 11.773 ( 3.656 -3.016 -1.994) 5.143 11.787 ( -3.190 -0.301 -0.562) 3.253 11.834 ( 4.238 -2.287 0.178) 4.819 11.973 ( 1.990 -3.127 -0.867) 3.807 12.116 ( 3.516 -3.146 -3.965) 6.163 12.220 ( 0.635 -1.280 8.540) 8.658 12.263 ( 3.311 -5.025 2.204) 6.409 12.403 ( -1.974 0.456 0.520) 2.092 12.587 ( -2.411 -4.541 0.802) 5.204 12.669 ( 3.960 -0.010 1.302) 4.168 12.758 ( 5.472 4.312 -5.143) 8.660 12.847 ( 1.290 -0.634 -1.230) 1.892 13.046 ( -2.518 0.928 -2.235) 3.493 13.080 ( -1.730 -3.333 2.823) 4.698 13.251 ( -3.603 2.583 2.604) 5.142 13.331 ( 5.488 1.119 -0.497) 5.623 13.407 ( 1.734 1.534 1.093) 2.560 13.454 ( -1.818 3.740 -3.298) 5.307 13.752 ( -3.465 -1.468 -8.534) 9.326 13.921 ( 6.448 -0.154 5.150) 8.254 13.959 ( -4.649 0.622 3.958) 6.137 14.236 ( 4.087 5.100 1.873) 6.799 14.366 ( 1.171 7.019 1.356) 7.244 14.386 ( -3.058 6.144 4.820) 8.387 14.452 ( -0.126 1.139 0.430) 1.224 14.592 ( -0.602 -2.370 3.215) 4.040 14.685 ( -1.999 -4.375 -1.378) 5.004 14.808 ( 3.355 0.875 -5.348) 6.374 14.888 ( 5.592 1.430 -0.279) 5.779 14.953 ( -3.336 2.035 -0.819) 3.992 15.246 ( -0.976 2.786 -5.689) 6.409 15.277 ( -1.763 -2.445 5.612) 6.370 15.520 ( 1.390 4.788 1.016) 5.089 15.585 ( -0.347 3.597 -0.746) 3.690 15.613 ( -0.857 2.586 -4.284) 5.077 15.746 ( 0.369 0.413 -3.846) 3.886 15.769 ( -2.075 -3.889 -4.282) 6.145 15.850 ( 2.479 2.733 0.367) 3.708 15.897 ( 1.219 2.162 3.698) 4.453 15.945 ( -0.511 -0.263 -3.503) 3.550 16.038 ( -0.319 -0.298 -1.778) 1.831 16.049 ( 2.868 2.132 2.300) 4.250 16.111 ( 1.408 1.857 6.280) 6.698 16.310 ( 2.231 -0.413 -3.699) 4.339 16.400 ( -6.300 -2.400 -4.220) 7.954 16.505 ( 2.493 3.185 2.949) 5.005 16.556 ( 1.884 3.706 3.998) 5.768 16.695 ( 1.718 0.030 3.629) 4.016 16.768 ( -1.644 5.673 3.769) 7.007 16.884 ( -0.258 -1.225 -1.729) 2.134 16.984 ( 3.249 -2.806 -0.408) 4.312 16.995 ( -0.182 3.180 -4.560) 5.562 17.061 ( -0.813 2.132 1.803) 2.908 17.159 ( -1.892 -4.013 -0.245) 4.444 17.307 ( -0.242 -0.993 0.900) 1.362 17.377 ( 1.191 0.940 1.376) 2.048 17.424 ( -3.376 1.253 0.251) 3.610 17.492 ( -0.164 1.330 -0.189) 1.353 17.502 ( 0.134 0.833 -0.257) 0.882 17.654 ( -0.437 1.108 1.664) 2.046 17.824 ( 1.046 -0.970 -4.464) 4.687 18.435 ( 0.326 0.313 0.489) 0.666 18.460 ( 0.687 -0.410 -0.687) 1.054 18.608 ( -0.989 -0.480 1.345) 1.737 18.657 ( 0.446 -0.491 -1.306) 1.465 19.601 ( 0.744 3.744 0.110) 3.819 19.655 ( 0.439 2.671 -1.571) 3.130 19.896 ( 0.472 -6.425 6.044) 8.833 20.184 ( 3.724 -14.488 -3.870) 15.452 21.002 ( 0.342 0.613 -1.906) 2.031 21.135 ( -2.616 -4.172 -0.061) 4.925 21.166 ( 1.073 -0.847 0.611) 1.497 21.252 ( 1.933 -4.082 2.838) 5.334 21.463 ( 0.165 0.305 0.343) 0.487 21.586 ( -0.641 -0.655 -1.046) 1.390 21.811 ( -0.302 -1.730 -0.511) 1.829 21.923 ( -0.888 -2.538 -1.371) 3.018 22.031 ( 1.483 1.460 -0.770) 2.219 22.084 ( -1.582 -0.303 -1.487) 2.192 22.339 ( 0.955 3.622 0.737) 3.817 22.381 ( -1.826 2.237 1.004) 3.057 22.409 ( 0.638 1.057 2.513) 2.800 22.578 ( -1.135 3.480 -2.386) 4.369 22.705 ( 3.352 0.131 0.506) 3.392 22.828 ( -2.091 -1.183 -1.793) 2.998 22.999 ( -0.582 5.457 3.625) 6.577 23.128 ( -0.453 4.542 -0.715) 4.620 23.231 ( 3.257 6.530 2.486) 7.709 23.431 ( -1.918 7.499 2.390) 8.101 23.558 ( 5.374 4.127 -2.764) 7.318 23.610 ( -5.097 -0.415 -4.406) 6.750 23.907 ( -0.349 9.649 -1.788) 9.820 24.006 ( -8.970 6.175 4.002) 11.602 ======================= Grid point 88 (46/75) ======================= q-point: (-0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -13.129 20.732 1.911) 24.614 2.796 ( -14.095 20.625 -3.189) 25.184 2.947 ( -1.441 19.684 -2.007) 19.838 2.994 ( 2.950 12.021 1.363) 12.453 3.080 ( 0.710 13.045 -0.606) 13.079 3.120 ( 12.463 13.301 -2.262) 18.367 3.343 ( 1.185 6.440 -5.171) 8.344 3.409 ( -2.433 11.080 3.496) 11.871 3.456 ( -6.867 11.558 10.528) 17.076 3.578 ( -7.149 12.082 -2.125) 14.199 3.793 ( 6.267 3.628 3.015) 7.844 4.004 ( -0.826 2.238 -1.459) 2.796 4.012 ( 3.104 9.067 -10.044) 13.882 4.161 ( 5.517 5.335 1.165) 7.762 4.218 ( -2.685 1.264 -7.045) 7.645 4.312 ( -6.981 -0.167 2.270) 7.343 4.354 ( 2.381 -3.195 -2.659) 4.790 4.448 ( 3.389 -0.342 -0.248) 3.415 4.499 ( -0.817 -5.906 4.529) 7.488 4.634 ( -5.384 1.368 -2.086) 5.934 4.825 ( -0.687 0.277 7.848) 7.883 4.934 ( -1.002 -5.838 2.464) 6.415 5.089 ( -0.130 -4.284 -7.125) 8.315 5.147 ( 9.500 2.431 -4.724) 10.885 5.325 ( -2.066 -2.767 3.638) 5.016 5.492 ( 2.316 -10.864 -1.123) 11.165 5.572 ( -3.208 -7.153 -2.905) 8.360 5.715 ( 5.816 -5.135 2.122) 8.044 5.734 ( 2.955 -2.569 2.233) 4.508 5.827 ( 3.519 3.339 7.763) 9.154 5.903 ( 2.866 -6.281 -2.757) 7.435 6.034 ( 1.142 1.198 4.007) 4.335 6.160 ( 2.852 -7.162 -1.952) 7.952 6.181 ( 0.558 -5.315 1.767) 5.629 6.395 ( 2.210 -2.454 5.986) 6.836 6.519 ( 2.945 -8.615 1.359) 9.205 6.633 ( 5.134 -4.776 2.075) 7.312 6.742 ( 7.077 -5.166 1.570) 8.901 6.805 ( 0.512 -3.435 1.606) 3.826 6.921 ( -2.471 1.519 1.347) 3.198 7.048 ( 1.516 -7.084 -4.167) 8.357 7.079 ( 2.939 -3.881 -8.865) 10.113 7.381 ( -2.444 -13.316 -1.574) 13.630 7.492 ( 4.330 -12.176 -0.625) 12.938 7.553 ( -3.458 -3.144 -3.134) 5.627 7.663 ( 5.409 -3.853 -3.403) 7.462 7.763 ( 0.688 -2.993 3.098) 4.363 7.855 ( 5.523 -5.815 2.063) 8.281 8.108 ( -0.355 1.529 6.588) 6.772 8.145 ( 2.249 1.707 6.073) 6.697 8.198 ( -5.609 -1.771 3.845) 7.027 8.390 ( 1.652 0.693 6.253) 6.504 8.483 ( 3.109 3.912 -5.035) 7.093 8.592 ( 2.196 -0.154 -3.124) 3.822 8.642 ( -1.423 1.651 -7.520) 7.829 8.675 ( 4.412 -6.359 -8.287) 11.339 8.891 ( 2.251 -2.250 5.666) 6.499 8.962 ( -3.693 2.730 3.062) 5.520 9.057 ( 1.229 -5.437 -5.446) 7.793 9.138 ( 5.366 -3.818 3.096) 7.277 9.274 ( -0.135 -0.934 -0.141) 0.954 9.331 ( -0.222 2.346 -0.775) 2.481 9.385 ( -4.545 4.982 2.692) 7.261 9.480 ( 0.428 -0.393 -4.189) 4.230 9.507 ( 2.774 4.654 -6.719) 8.631 9.556 ( 0.241 3.347 -0.924) 3.480 9.673 ( -3.527 7.527 1.616) 8.468 9.807 ( -1.051 -0.784 -2.951) 3.229 9.928 ( -0.014 -0.267 -0.143) 0.304 10.045 ( 2.672 -1.744 -4.986) 5.919 10.160 ( 4.782 -1.783 4.829) 7.026 10.294 ( -1.649 -5.647 -7.386) 9.442 10.344 ( -2.764 1.828 6.613) 7.397 10.489 ( -4.874 -4.687 4.617) 8.188 10.534 ( 2.355 2.564 4.915) 6.023 10.611 ( -6.370 3.948 -4.100) 8.542 10.707 ( 5.172 -4.817 1.237) 7.175 10.771 ( -1.966 5.549 -5.367) 7.966 10.868 ( 2.741 4.130 -0.293) 4.966 10.960 ( 0.426 -1.646 0.183) 1.710 11.065 ( -3.689 6.851 7.924) 11.105 11.188 ( 2.278 -0.387 5.289) 5.772 11.240 ( -3.772 -2.171 -0.387) 4.369 11.330 ( -4.377 -4.038 2.026) 6.291 11.414 ( 2.232 -1.535 -5.356) 6.002 11.471 ( -1.520 -3.703 6.432) 7.576 11.607 ( -4.647 -5.873 -8.166) 11.080 11.702 ( 1.837 -4.393 -4.866) 6.809 11.747 ( -8.667 -6.553 2.670) 11.188 11.894 ( 1.265 -5.296 0.453) 5.464 11.971 ( -1.828 -3.352 -1.556) 4.123 12.064 ( -2.833 -0.633 -4.750) 5.567 12.266 ( -3.011 0.684 9.057) 9.569 12.361 ( -2.416 2.666 2.346) 4.296 12.397 ( 4.009 -5.782 2.785) 7.567 12.537 ( 0.592 -1.217 -4.179) 4.392 12.711 ( -0.921 -0.421 0.784) 1.281 12.782 ( 0.945 3.483 -1.572) 3.937 12.892 ( -0.241 -1.049 -3.706) 3.859 12.995 ( 4.174 0.137 -1.642) 4.488 13.093 ( -4.209 -3.803 4.850) 7.463 13.181 ( -3.326 -0.460 0.111) 3.360 13.371 ( -1.629 3.285 -1.528) 3.972 13.420 ( 3.159 1.888 -2.752) 4.595 13.476 ( 2.090 1.656 6.128) 6.683 13.590 ( -4.954 0.353 -7.849) 9.289 13.908 ( -3.698 0.764 1.901) 4.228 14.064 ( 5.244 -1.420 2.128) 5.835 14.329 ( 0.891 3.312 5.362) 6.365 14.345 ( -2.782 5.729 1.158) 6.473 14.400 ( -0.726 5.715 -1.370) 5.922 14.481 ( -0.774 4.751 8.651) 9.900 14.576 ( -0.923 -2.274 -6.543) 6.988 14.639 ( 0.146 3.544 5.256) 6.341 14.809 ( -2.268 -3.909 -2.617) 5.223 14.845 ( 0.451 -0.231 -4.733) 4.760 15.022 ( 4.138 1.095 1.347) 4.488 15.142 ( -2.906 1.818 -6.343) 7.209 15.329 ( 0.411 0.189 6.374) 6.390 15.517 ( -3.338 3.682 0.415) 4.988 15.542 ( -0.388 3.317 -6.434) 7.249 15.612 ( 3.493 2.536 -2.223) 4.855 15.716 ( 0.457 -3.334 -0.938) 3.493 15.731 ( 0.056 -0.524 -1.850) 1.923 15.863 ( -1.356 3.570 -1.312) 4.038 15.899 ( 1.056 1.575 -1.783) 2.603 15.936 ( -1.607 0.645 2.175) 2.780 16.036 ( 1.796 3.028 0.272) 3.531 16.072 ( -3.902 -0.325 2.678) 4.743 16.179 ( -1.615 0.758 5.004) 5.312 16.227 ( -2.730 -1.304 -5.512) 6.288 16.347 ( 2.850 1.578 -3.187) 4.557 16.554 ( -0.990 2.065 4.437) 4.993 16.612 ( 1.270 2.400 0.593) 2.779 16.735 ( -1.583 -1.339 4.100) 4.595 16.796 ( 0.447 4.952 4.704) 6.845 16.860 ( 0.094 -0.705 -2.359) 2.463 16.959 ( 1.354 2.172 -3.838) 4.613 17.042 ( 0.818 4.519 -3.644) 5.863 17.067 ( 2.754 -1.542 0.019) 3.157 17.157 ( -0.963 -5.132 5.434) 7.536 17.286 ( -0.713 -0.465 -2.390) 2.537 17.362 ( -1.670 -0.707 1.518) 2.365 17.434 ( 0.938 1.371 2.293) 2.831 17.471 ( -0.021 0.126 -1.502) 1.508 17.518 ( 0.531 2.011 -0.168) 2.087 17.647 ( -1.825 0.798 1.888) 2.744 17.807 ( 1.713 -0.452 -4.761) 5.080 18.434 ( -0.848 0.177 0.435) 0.970 18.462 ( 0.249 -0.294 -0.642) 0.749 18.602 ( -0.889 -0.272 1.152) 1.480 18.661 ( 1.250 -0.607 -1.102) 1.774 19.604 ( -1.140 2.785 0.171) 3.014 19.640 ( 0.201 3.500 -1.303) 3.741 19.941 ( -2.965 -7.997 7.234) 11.184 20.154 ( -1.757 -12.391 -5.434) 13.644 21.001 ( 0.234 0.408 0.224) 0.521 21.067 ( -2.318 -1.879 -3.310) 4.456 21.218 ( 1.218 -2.581 4.264) 5.131 21.293 ( 0.941 -4.544 0.428) 4.660 21.494 ( 1.593 0.486 2.064) 2.652 21.541 ( -1.402 0.237 -3.000) 3.320 21.818 ( 0.028 -2.825 0.984) 2.991 21.896 ( 0.996 -3.714 -3.202) 5.004 22.018 ( -2.564 1.796 -0.799) 3.231 22.059 ( 1.074 0.034 -0.643) 1.252 22.343 ( -2.223 3.129 0.806) 3.922 22.365 ( 1.047 2.372 1.139) 2.832 22.473 ( 2.106 2.605 3.458) 4.814 22.554 ( 1.236 2.069 -3.688) 4.406 22.731 ( -1.397 1.579 0.879) 2.284 22.804 ( 1.270 -1.293 -2.399) 3.007 22.992 ( -3.584 6.309 3.440) 8.030 23.168 ( 5.441 5.726 -0.910) 7.951 23.318 ( -0.431 0.936 8.097) 8.162 23.413 ( -6.197 2.504 -3.826) 7.701 23.436 ( 0.528 8.726 -1.227) 8.827 23.610 ( 3.890 4.727 -5.009) 7.910 23.907 ( -3.122 9.687 -0.261) 10.181 24.042 ( 11.561 4.071 2.584) 12.526 ======================= Grid point 89 (47/75) ======================= q-point: (-0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -10.818 26.336 1.928) 28.537 2.500 ( -15.711 23.679 -0.445) 28.421 2.716 ( -15.107 16.386 -4.738) 22.785 2.922 ( -9.341 12.868 0.617) 15.913 3.140 ( -2.065 13.789 -11.914) 18.339 3.185 ( 5.103 4.946 2.742) 7.617 3.383 ( 3.424 6.242 0.077) 7.120 3.431 ( 0.047 10.294 1.577) 10.414 3.466 ( -0.818 13.889 11.603) 18.117 3.542 ( -0.499 8.189 4.672) 9.441 3.811 ( -3.106 7.473 -0.623) 8.117 3.948 ( 1.659 1.234 -1.275) 2.429 4.023 ( -4.197 -1.808 -4.922) 6.716 4.140 ( 8.341 2.988 -8.359) 12.181 4.218 ( 1.328 -0.023 -3.059) 3.335 4.275 ( 0.382 0.815 2.388) 2.552 4.386 ( 5.438 -1.509 -4.154) 7.008 4.456 ( -2.225 -1.590 6.035) 6.626 4.551 ( 0.559 -0.311 3.898) 3.950 4.681 ( 8.615 1.675 3.346) 9.392 4.864 ( -1.954 -10.745 -6.426) 12.671 4.926 ( 1.277 -4.115 10.569) 11.414 5.035 ( -2.116 -6.776 -2.725) 7.603 5.246 ( 1.885 2.925 -5.255) 6.303 5.361 ( 7.478 2.013 2.632) 8.180 5.489 ( 1.713 -5.208 -4.956) 7.391 5.500 ( -6.092 -5.143 1.532) 8.118 5.794 ( 0.649 -0.861 3.417) 3.583 5.896 ( 7.623 -6.373 3.219) 10.444 5.941 ( 2.241 2.412 0.143) 3.296 6.001 ( 8.448 3.547 1.291) 9.253 6.088 ( -7.063 -5.944 -0.223) 9.234 6.173 ( 11.224 1.533 3.302) 11.800 6.231 ( 5.277 -3.802 -1.880) 6.770 6.497 ( 1.221 -4.018 2.455) 4.865 6.668 ( 10.955 -1.697 3.140) 11.522 6.786 ( 4.513 -5.532 -3.673) 8.029 6.804 ( 2.692 -12.529 -9.091) 15.712 6.910 ( 8.734 3.258 0.170) 9.324 6.978 ( 3.943 -5.959 -0.350) 7.154 7.020 ( 6.347 -5.967 2.187) 8.982 7.130 ( 9.717 -5.720 1.296) 11.350 7.328 ( 1.498 -9.747 -1.700) 10.007 7.514 ( 0.411 -2.359 1.124) 2.646 7.567 ( 1.474 -9.180 0.090) 9.298 7.761 ( 5.004 2.008 -2.412) 5.906 7.846 ( 6.853 -8.482 1.454) 11.001 7.947 ( -1.108 -3.140 6.160) 7.003 8.081 ( -0.935 1.920 -2.898) 3.600 8.212 ( 0.294 -3.946 6.068) 7.245 8.311 ( 8.088 1.019 4.234) 9.186 8.398 ( -5.212 -2.763 -10.256) 11.832 8.451 ( 0.122 1.085 -12.620) 12.667 8.482 ( 1.047 4.408 6.489) 7.914 8.583 ( -1.279 4.532 0.549) 4.741 8.737 ( 7.847 -8.140 -5.758) 12.688 8.896 ( -3.247 -2.137 -5.158) 6.459 8.980 ( 1.114 -3.531 4.619) 5.920 9.054 ( 1.334 -6.524 3.482) 7.514 9.256 ( -7.593 5.117 0.095) 9.157 9.269 ( 6.826 -3.551 -2.022) 7.956 9.305 ( 3.466 -3.365 0.510) 4.857 9.447 ( 3.924 2.892 3.146) 5.801 9.528 ( 0.313 7.524 1.462) 7.671 9.576 ( 7.214 -2.910 4.045) 8.768 9.582 ( 4.669 4.922 -2.221) 7.139 9.666 ( 4.897 2.370 2.702) 6.075 9.806 ( 1.166 2.745 2.620) 3.970 9.936 ( 1.994 1.789 -2.778) 3.860 10.080 ( 4.528 -3.522 -4.245) 7.136 10.142 ( -2.522 -1.504 -2.679) 3.975 10.270 ( -1.106 -2.666 -0.980) 3.048 10.355 ( -0.701 1.026 3.031) 3.275 10.412 ( -3.110 -2.039 2.824) 4.669 10.500 ( -1.851 -5.772 6.291) 8.736 10.602 ( -7.422 -0.733 1.966) 7.713 10.673 ( -0.842 8.527 -4.944) 9.892 10.791 ( 2.659 -3.868 1.433) 4.908 10.866 ( -1.779 2.650 -6.157) 6.935 10.884 ( -4.264 0.223 -3.002) 5.219 11.103 ( -7.254 -1.466 1.054) 7.475 11.147 ( 3.600 -1.776 4.166) 5.785 11.196 ( -5.121 -1.051 -1.689) 5.493 11.285 ( -4.067 -2.921 5.845) 7.697 11.379 ( -2.157 0.185 -3.151) 3.823 11.423 ( -7.430 -1.655 3.137) 8.233 11.498 ( -4.763 -7.070 0.690) 8.553 11.597 ( -4.595 0.519 -3.343) 5.706 11.724 ( 2.498 -0.108 -1.883) 3.130 11.795 ( -10.550 -3.620 -1.339) 11.233 11.877 ( -10.434 -6.674 -1.676) 12.499 12.018 ( 2.792 -1.370 2.002) 3.698 12.238 ( -7.692 0.015 5.982) 9.744 12.373 ( 0.153 2.737 -0.510) 2.788 12.416 ( -3.396 -5.410 2.312) 6.793 12.519 ( 2.455 -1.176 -5.486) 6.125 12.694 ( -5.157 -0.595 0.475) 5.212 12.718 ( -10.058 -3.345 -5.193) 11.803 12.815 ( 6.529 3.521 -2.918) 7.971 13.037 ( 2.094 -2.037 -1.246) 3.176 13.122 ( -2.373 -0.902 5.193) 5.781 13.148 ( 2.624 0.083 0.293) 2.642 13.345 ( -1.318 5.216 1.440) 5.569 13.413 ( -4.947 -0.463 -2.549) 5.584 13.451 ( 2.108 4.020 -3.540) 5.756 13.618 ( 3.701 -0.847 6.792) 7.781 13.876 ( -0.044 0.982 -0.519) 1.112 14.130 ( -0.459 -4.056 0.701) 4.141 14.239 ( -5.172 7.587 -1.969) 9.391 14.348 ( -3.139 2.128 3.298) 5.026 14.383 ( -0.960 1.038 -0.417) 1.474 14.508 ( -0.969 -1.008 0.660) 1.546 14.576 ( -0.270 10.824 1.419) 10.920 14.696 ( -4.005 0.304 -2.678) 4.828 14.726 ( 3.407 4.511 5.704) 8.030 14.851 ( 2.692 -6.066 -4.699) 8.131 15.053 ( -0.269 1.006 2.586) 2.787 15.099 ( 2.654 2.032 -3.344) 4.729 15.385 ( -0.951 -1.217 2.024) 2.547 15.430 ( -2.579 -0.749 2.166) 3.450 15.515 ( 0.042 6.390 -2.262) 6.779 15.640 ( 0.288 3.836 -1.390) 4.091 15.685 ( -0.446 -0.142 -2.567) 2.609 15.765 ( 1.904 -1.040 1.818) 2.830 15.806 ( -2.944 3.126 -1.980) 4.728 15.892 ( -4.025 1.506 -1.397) 4.519 15.936 ( 2.727 1.520 -0.680) 3.195 15.959 ( -6.160 1.803 -0.096) 6.419 16.070 ( -2.250 2.976 4.459) 5.814 16.147 ( 0.393 0.267 -0.445) 0.651 16.207 ( -0.331 -1.535 -1.124) 1.931 16.389 ( 2.449 3.625 1.033) 4.495 16.548 ( -3.099 2.320 1.502) 4.153 16.616 ( 1.367 2.389 -2.640) 3.814 16.692 ( -6.279 -2.664 1.980) 7.102 16.844 ( -0.012 2.581 1.283) 2.882 16.871 ( 2.462 0.011 0.653) 2.547 16.949 ( -0.618 2.126 -1.477) 2.661 17.013 ( 3.640 4.109 -6.648) 8.621 17.119 ( 1.881 -2.625 1.152) 3.429 17.173 ( -0.507 -3.726 1.941) 4.232 17.281 ( -0.080 0.862 0.302) 0.917 17.358 ( -0.484 -1.629 1.231) 2.099 17.451 ( -0.803 3.484 1.724) 3.969 17.476 ( 0.660 -4.455 -2.834) 5.321 17.534 ( 2.748 3.626 2.016) 4.977 17.642 ( -1.228 0.402 3.759) 3.975 17.789 ( 0.873 0.454 -4.762) 4.863 18.417 ( -1.350 -0.082 0.427) 1.418 18.455 ( -0.336 -0.381 -0.815) 0.961 18.599 ( -0.753 -0.060 1.383) 1.576 18.681 ( 2.105 -1.146 -1.206) 2.683 19.570 ( -1.920 2.161 -0.221) 2.899 19.639 ( -0.079 3.444 -0.217) 3.451 19.909 ( -7.085 -9.011 5.782) 12.838 20.053 ( -3.709 -9.303 -4.810) 11.111 20.998 ( -1.575 0.522 -0.644) 1.780 21.018 ( -0.525 -0.031 0.765) 0.929 21.264 ( 0.425 -3.194 1.338) 3.488 21.301 ( 0.889 -3.090 -1.407) 3.510 21.483 ( -0.736 -0.510 -1.988) 2.180 21.561 ( 1.929 -0.003 2.052) 2.817 21.802 ( -0.998 -2.654 -0.852) 2.960 21.924 ( 2.090 -2.159 0.391) 3.030 21.988 ( 0.643 0.436 -0.305) 0.835 22.070 ( -0.059 -1.340 0.945) 1.641 22.301 ( -2.800 2.708 0.731) 3.963 22.415 ( 1.958 0.822 1.245) 2.462 22.530 ( -0.618 1.903 -1.804) 2.694 22.531 ( 2.311 1.626 0.124) 2.828 22.683 ( -2.579 -0.127 -3.042) 3.990 22.823 ( 1.747 -0.291 0.900) 1.987 22.980 ( -0.286 9.475 2.657) 9.845 23.213 ( -1.249 7.565 -0.175) 7.669 23.248 ( -5.015 5.451 -4.895) 8.878 23.368 ( 2.215 0.913 2.477) 3.446 23.557 ( 4.782 4.581 5.385) 8.535 23.626 ( 3.561 7.035 -2.601) 8.303 23.892 ( 2.532 11.248 -1.779) 11.666 24.294 ( 13.865 -2.023 0.371) 14.017 ======================= Grid point 90 (48/75) ======================= q-point: (-0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -11.991 25.264 3.358) 28.166 2.307 ( -4.828 29.762 2.769) 30.278 2.448 ( -6.039 18.757 -8.702) 21.541 2.798 ( -4.000 11.284 1.166) 12.029 2.992 ( -4.123 14.645 -7.295) 16.872 3.209 ( -9.177 16.173 9.129) 20.716 3.370 ( -2.530 4.938 8.076) 9.798 3.423 ( 1.803 5.327 -3.237) 6.489 3.567 ( 3.422 -6.328 1.668) 7.385 3.645 ( 3.365 7.078 1.994) 8.087 3.795 ( -2.205 2.913 3.715) 5.210 3.909 ( -4.418 -1.240 0.447) 4.610 4.008 ( 7.294 -3.140 -3.658) 8.743 4.144 ( 5.703 3.229 -4.073) 7.716 4.281 ( 2.164 0.196 0.047) 2.173 4.357 ( 0.696 1.785 -10.436) 10.611 4.407 ( 7.901 -0.178 2.015) 8.156 4.486 ( -0.681 0.479 3.726) 3.818 4.654 ( 5.020 4.162 4.676) 8.024 4.776 ( -0.810 -6.836 -6.756) 9.645 4.829 ( 3.473 -0.038 -0.113) 3.475 4.955 ( -3.330 -8.433 1.579) 9.203 5.058 ( 1.925 -7.348 7.766) 10.863 5.230 ( -3.184 -1.781 -2.487) 4.415 5.337 ( -5.371 -7.740 2.653) 9.788 5.485 ( 4.560 -2.274 -3.098) 5.964 5.569 ( 10.203 10.712 -6.367) 16.105 5.730 ( -7.936 6.307 -1.556) 10.255 5.917 ( -2.660 5.666 -3.450) 7.146 5.936 ( -5.542 -1.409 -2.139) 6.105 6.040 ( 5.101 -7.209 -2.609) 9.209 6.203 ( 7.790 2.621 4.152) 9.208 6.330 ( 5.753 -4.580 0.710) 7.388 6.388 ( 8.339 0.565 1.240) 8.450 6.517 ( -1.980 -5.814 6.544) 8.975 6.711 ( 3.272 -7.545 -3.160) 8.810 6.815 ( 4.633 -5.419 -1.427) 7.271 6.865 ( 2.441 -8.859 -8.974) 12.844 6.887 ( 2.840 -4.106 -4.073) 6.443 7.134 ( 8.735 0.497 3.180) 9.309 7.241 ( -0.798 -4.562 3.952) 6.088 7.332 ( 6.542 -4.684 4.332) 9.138 7.430 ( 6.626 -6.731 2.294) 9.720 7.537 ( 1.978 -5.469 5.062) 7.710 7.638 ( 10.696 -3.191 0.394) 11.169 7.792 ( 3.401 3.738 -2.406) 5.597 7.952 ( -3.331 -2.867 5.767) 7.250 7.985 ( 7.923 -2.744 2.131) 8.651 8.083 ( 1.441 -1.505 -3.186) 3.807 8.210 ( -3.670 -2.039 -6.130) 7.430 8.299 ( 2.344 -3.802 1.165) 4.616 8.373 ( -4.581 -0.945 0.758) 4.739 8.380 ( -2.222 -0.395 0.709) 2.366 8.510 ( 5.918 2.140 -5.479) 8.344 8.688 ( 0.345 3.010 5.957) 6.683 8.739 ( -3.943 -0.759 -2.712) 4.846 8.844 ( 4.571 -1.810 -4.348) 6.563 8.986 ( -0.274 -5.407 -0.933) 5.494 9.114 ( 4.025 -4.383 4.970) 7.753 9.216 ( 1.064 -3.359 -2.303) 4.210 9.371 ( 2.056 -1.175 1.827) 2.991 9.417 ( 5.193 -6.860 -4.546) 9.731 9.434 ( -1.183 0.030 -2.647) 2.900 9.520 ( -1.173 1.229 -2.115) 2.713 9.567 ( 0.007 3.181 5.690) 6.519 9.684 ( 0.639 3.448 5.535) 6.552 9.865 ( 2.312 1.097 3.911) 4.674 9.927 ( 5.636 4.051 0.371) 6.951 9.947 ( 6.122 1.839 -3.841) 7.458 10.052 ( 2.913 -4.023 -0.378) 4.981 10.137 ( 1.594 -4.008 -3.056) 5.286 10.303 ( 4.451 3.850 2.392) 6.353 10.358 ( -0.254 -5.021 5.063) 7.135 10.416 ( -6.851 0.404 -4.033) 7.960 10.492 ( 0.702 -7.198 1.667) 7.421 10.613 ( 6.272 -1.727 5.490) 8.512 10.665 ( 1.761 -0.777 -0.137) 1.930 10.683 ( -4.307 3.666 -0.963) 5.738 10.775 ( -1.989 -2.602 -2.737) 4.268 10.902 ( -0.412 1.727 -0.206) 1.787 10.956 ( -7.446 -2.734 4.054) 8.908 11.052 ( -5.085 1.116 -4.942) 7.178 11.135 ( -13.901 -6.321 1.319) 15.328 11.273 ( 1.176 0.099 -4.444) 4.598 11.335 ( -6.480 -3.461 0.919) 7.404 11.361 ( -3.652 -2.701 -1.410) 4.756 11.405 ( 1.327 -2.374 8.139) 8.582 11.465 ( -8.922 -0.591 -2.498) 9.284 11.633 ( -2.048 -0.405 -2.723) 3.431 11.677 ( -3.931 1.611 -4.268) 6.023 11.737 ( -2.477 -1.174 -0.285) 2.756 12.050 ( -7.622 -6.349 -4.082) 10.727 12.171 ( -1.594 2.413 4.641) 5.468 12.276 ( -1.326 -0.498 -4.723) 4.930 12.385 ( -7.662 -0.925 6.237) 9.922 12.477 ( -2.027 -0.678 2.104) 3.000 12.557 ( -8.960 -0.311 2.002) 9.187 12.613 ( 5.459 -1.271 -8.854) 10.479 12.936 ( 6.917 -0.014 -0.807) 6.964 13.062 ( 0.090 -1.717 0.350) 1.755 13.112 ( 0.046 1.758 1.379) 2.235 13.207 ( 1.373 -0.303 1.469) 2.033 13.311 ( -4.436 2.159 2.050) 5.342 13.375 ( 2.670 3.835 0.322) 4.684 13.457 ( 0.417 1.739 -1.535) 2.357 13.715 ( 1.178 -3.232 3.205) 4.702 13.903 ( 4.166 1.330 -3.086) 5.352 14.049 ( -4.953 0.193 -1.601) 5.209 14.198 ( -0.660 -0.034 1.105) 1.288 14.304 ( -5.887 0.870 1.471) 6.130 14.337 ( -1.931 2.285 -0.464) 3.028 14.479 ( -1.201 5.858 -2.015) 6.310 14.542 ( -3.150 0.793 2.104) 3.870 14.625 ( -0.230 8.324 -5.469) 9.962 14.831 ( 0.591 -1.184 3.397) 3.646 14.881 ( 5.963 -0.698 -1.419) 6.169 15.096 ( 1.552 0.313 -1.654) 2.290 15.116 ( 0.281 3.144 0.654) 3.224 15.333 ( -2.354 -4.033 -0.672) 4.717 15.470 ( -1.401 -1.481 5.175) 5.562 15.518 ( 0.881 6.956 5.414) 8.858 15.568 ( -4.363 5.072 0.181) 6.692 15.700 ( 2.099 4.290 -0.784) 4.840 15.727 ( -1.722 4.262 -2.802) 5.383 15.792 ( -0.047 0.460 0.091) 0.472 15.825 ( -1.301 1.591 1.325) 2.446 15.894 ( -1.669 1.067 -1.416) 2.435 15.947 ( -2.776 3.870 -0.606) 4.801 16.062 ( -1.481 2.288 3.910) 4.766 16.151 ( -2.073 0.644 2.363) 3.209 16.226 ( 5.979 -3.155 -4.104) 7.908 16.420 ( -0.596 7.275 -0.583) 7.322 16.487 ( -2.109 1.159 -1.413) 2.791 16.574 ( -6.875 -0.990 -0.134) 6.947 16.640 ( 2.741 0.057 -0.253) 2.753 16.817 ( -2.661 0.976 -0.306) 2.851 16.914 ( 2.278 -2.095 -1.773) 3.566 16.927 ( -0.182 0.878 -0.855) 1.239 17.062 ( 4.857 4.297 -1.053) 6.570 17.140 ( -1.090 -1.260 2.068) 2.656 17.210 ( 3.932 -2.186 -1.231) 4.664 17.257 ( -2.257 0.959 -0.183) 2.459 17.365 ( 0.422 -1.883 0.368) 1.965 17.429 ( -2.421 -3.184 -1.534) 4.283 17.454 ( -0.704 3.240 1.901) 3.822 17.636 ( 4.377 3.814 1.359) 5.963 17.674 ( -0.049 -1.764 6.057) 6.308 17.742 ( -0.942 0.935 -5.244) 5.409 18.400 ( -1.014 -0.458 0.519) 1.228 18.439 ( -0.351 -0.447 -1.060) 1.202 18.601 ( -0.657 -0.016 1.908) 2.018 18.708 ( 2.279 -1.974 -1.830) 3.528 19.546 ( -1.015 1.900 0.756) 2.283 19.628 ( -0.399 2.930 -0.823) 3.070 19.821 ( -7.441 -7.396 4.673) 11.485 19.953 ( -2.097 -7.463 -4.423) 8.925 20.974 ( -0.567 2.092 0.715) 2.283 21.031 ( -0.653 -0.782 3.563) 3.706 21.249 ( -0.698 -2.628 -3.192) 4.193 21.303 ( 1.277 -1.735 -2.882) 3.598 21.472 ( 0.316 -1.592 0.049) 1.624 21.594 ( 0.413 -1.597 0.043) 1.650 21.801 ( 0.328 -0.606 2.526) 2.618 21.936 ( -0.415 0.454 0.946) 1.128 22.036 ( 3.175 -1.753 -0.838) 3.722 22.073 ( -0.523 -2.475 0.597) 2.599 22.278 ( 0.019 0.814 1.235) 1.479 22.375 ( -4.873 -1.981 -1.706) 5.530 22.543 ( 3.299 1.283 -1.898) 4.016 22.595 ( 1.530 5.483 2.117) 6.074 22.603 ( -1.669 -1.314 -1.447) 2.571 22.861 ( 0.626 -2.454 1.919) 3.178 23.018 ( 1.284 10.700 0.314) 10.782 23.153 ( -1.252 7.851 -0.433) 7.962 23.168 ( -3.267 6.943 -0.116) 7.674 23.418 ( 2.749 2.260 -2.499) 4.348 23.607 ( 1.142 11.456 -0.670) 11.533 23.699 ( 2.434 4.578 -1.307) 5.347 23.978 ( 4.516 7.259 6.717) 10.872 24.495 ( 9.436 -6.502 -3.815) 12.078 ======================= Grid point 91 (49/75) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -1.186 14.829 1.213) 14.926 2.667 ( 1.244 7.832 -2.970) 8.468 2.864 ( -0.076 19.748 3.658) 20.084 3.024 ( 2.287 8.400 -2.132) 8.963 3.138 ( 2.812 4.056 -0.200) 4.939 3.232 ( -1.684 -9.799 0.652) 9.964 3.395 ( -3.171 2.935 4.128) 5.976 3.410 ( -1.988 -0.228 -0.611) 2.092 3.644 ( 0.038 6.624 6.620) 9.365 3.739 ( 4.221 -0.003 2.643) 4.980 3.821 ( 0.165 -0.670 3.021) 3.099 3.838 ( -1.868 -2.494 4.826) 5.745 4.081 ( 2.637 -1.492 1.500) 3.381 4.168 ( 0.267 -5.911 -5.216) 7.887 4.255 ( -2.542 -1.899 -7.083) 7.762 4.280 ( 0.903 -1.226 -5.472) 5.680 4.434 ( 2.300 2.575 -0.159) 3.457 4.543 ( 2.789 -2.592 -8.077) 8.929 4.626 ( -2.056 -1.773 11.097) 11.424 4.692 ( -3.164 -2.746 5.147) 6.636 4.871 ( -2.812 4.038 -0.415) 4.938 4.931 ( 3.055 0.912 -3.581) 4.795 5.051 ( 0.818 -1.512 0.991) 1.984 5.061 ( -2.688 -2.974 5.244) 6.601 5.281 ( 0.159 6.231 1.144) 6.337 5.455 ( 3.016 -8.087 -2.817) 9.079 5.622 ( -4.272 2.491 -12.536) 13.476 5.686 ( -2.264 -3.238 -15.636) 16.128 5.969 ( 2.914 7.772 -2.484) 8.664 6.021 ( -3.821 4.947 -1.728) 6.486 6.102 ( -3.504 6.309 3.767) 8.141 6.226 ( 1.490 0.185 -2.071) 2.558 6.307 ( -1.183 -0.913 0.146) 1.502 6.399 ( 2.893 -5.427 8.222) 10.268 6.514 ( 1.104 -5.217 3.083) 6.159 6.556 ( 2.718 -8.694 -6.175) 11.005 6.713 ( 0.846 2.277 -5.347) 5.872 6.805 ( 6.560 -3.180 -10.051) 12.417 7.011 ( 6.571 3.524 8.047) 10.971 7.127 ( -3.781 -2.836 4.729) 6.686 7.265 ( -2.204 -2.479 2.279) 4.025 7.289 ( 2.377 -2.904 2.430) 4.471 7.367 ( -10.884 1.704 14.253) 18.015 7.459 ( -5.782 -6.268 6.552) 10.754 7.800 ( -5.884 -2.070 2.447) 6.700 7.862 ( -4.464 -5.715 -6.354) 9.642 7.919 ( 4.467 3.197 0.153) 5.496 7.956 ( 6.319 -1.345 -2.797) 7.040 8.105 ( -1.119 0.624 0.629) 1.428 8.135 ( 3.989 -2.128 -2.737) 5.285 8.319 ( 0.044 1.246 1.292) 1.795 8.330 ( 1.414 1.750 2.353) 3.256 8.449 ( 2.698 5.482 0.724) 6.153 8.507 ( 4.017 -1.526 0.345) 4.311 8.728 ( 1.351 3.934 0.444) 4.183 8.761 ( -0.320 0.938 0.431) 1.081 8.909 ( -3.459 -0.094 -4.053) 5.329 8.936 ( 0.077 -5.377 -4.273) 6.868 9.000 ( 2.634 -5.979 -1.133) 6.631 9.040 ( 6.193 -4.440 -4.374) 8.786 9.336 ( -7.204 3.233 -2.225) 8.203 9.373 ( -6.034 0.450 -2.480) 6.539 9.447 ( 5.278 1.672 3.722) 6.672 9.547 ( 1.909 -5.831 1.681) 6.361 9.664 ( -5.533 7.627 2.114) 9.656 9.767 ( -2.932 1.227 7.791) 8.414 9.861 ( 3.041 1.735 -6.668) 7.531 9.926 ( 0.864 -4.120 1.892) 4.615 9.995 ( 4.559 -1.187 -2.280) 5.234 10.034 ( -1.720 -3.545 2.418) 4.623 10.121 ( -1.685 -2.473 4.934) 5.770 10.168 ( 2.388 -4.160 4.550) 6.611 10.408 ( -4.587 -0.968 -0.494) 4.714 10.432 ( -6.337 -2.526 -3.966) 7.891 10.465 ( 1.769 1.870 -0.691) 2.665 10.546 ( 1.517 -3.191 3.392) 4.898 10.653 ( 1.951 -0.647 3.227) 3.827 10.700 ( -5.737 4.853 5.069) 9.064 10.794 ( 6.466 -3.241 -1.858) 7.468 10.866 ( -3.954 -2.469 0.683) 4.711 10.951 ( 0.386 2.161 -2.115) 3.049 10.960 ( 2.035 -0.971 1.131) 2.523 11.032 ( 0.445 8.345 -2.925) 8.854 11.148 ( 1.436 2.652 -2.799) 4.115 11.209 ( -1.763 -0.513 -2.295) 2.939 11.274 ( -0.437 -6.620 -3.924) 7.708 11.332 ( 2.739 -3.994 0.412) 4.860 11.353 ( -3.647 -5.141 1.778) 6.549 11.677 ( 7.694 1.758 -4.968) 9.326 11.697 ( 5.209 0.584 -3.134) 6.107 11.721 ( -0.491 3.000 -1.216) 3.274 11.773 ( -1.391 -1.939 -3.719) 4.419 12.223 ( -11.378 2.962 1.546) 11.858 12.269 ( -6.857 -0.243 1.410) 7.005 12.333 ( 0.680 1.950 5.549) 5.921 12.400 ( 0.133 -3.532 6.030) 6.989 12.579 ( 5.457 2.716 -0.993) 6.176 12.631 ( 7.328 -1.841 -4.514) 8.802 12.989 ( 0.791 -0.736 0.304) 1.122 13.006 ( -1.124 -2.145 -0.486) 2.470 13.184 ( 0.455 2.316 1.285) 2.688 13.219 ( -0.620 -0.743 0.180) 0.985 13.313 ( -0.294 1.887 0.748) 2.051 13.356 ( -1.540 -2.060 -1.201) 2.839 13.607 ( 1.423 5.599 1.223) 5.905 13.679 ( 0.723 -0.986 -1.479) 1.919 13.894 ( -0.749 -1.866 -0.322) 2.037 13.926 ( -0.801 -3.942 -0.511) 4.055 14.237 ( -1.877 3.717 1.327) 4.371 14.278 ( -0.490 0.732 -1.426) 1.676 14.360 ( 1.331 1.923 4.923) 5.450 14.436 ( -1.216 -3.935 2.532) 4.835 14.639 ( -0.595 6.875 -3.380) 7.684 14.723 ( 0.021 1.059 -9.988) 10.044 14.809 ( 1.173 1.168 -0.294) 1.681 14.874 ( 1.247 -3.085 -5.392) 6.336 15.160 ( -0.520 5.416 4.966) 7.366 15.244 ( -1.413 3.373 -0.806) 3.744 15.255 ( 4.064 -2.076 6.146) 7.654 15.388 ( -3.467 -6.555 1.823) 7.636 15.650 ( 0.156 3.730 0.913) 3.843 15.681 ( -0.021 1.196 1.756) 2.125 15.738 ( 0.877 0.997 3.134) 3.404 15.773 ( -1.084 -1.069 -0.727) 1.687 15.827 ( 1.323 0.805 -0.755) 1.723 15.836 ( -0.392 0.376 0.069) 0.548 15.928 ( 0.794 3.897 -1.291) 4.181 15.957 ( -0.788 1.541 -1.359) 2.200 16.155 ( -0.315 3.916 2.639) 4.733 16.164 ( 0.717 3.017 2.549) 4.014 16.258 ( 2.697 -1.208 1.807) 3.464 16.364 ( -4.580 -7.068 5.470) 10.043 16.511 ( 0.254 6.954 -7.856) 10.495 16.568 ( -0.847 3.972 -1.110) 4.210 16.635 ( 3.734 -3.250 -4.390) 6.616 16.683 ( -1.329 -5.401 -3.423) 6.531 16.955 ( -0.027 2.139 1.069) 2.391 16.963 ( -0.374 1.444 0.490) 1.570 17.129 ( -0.569 0.696 -0.457) 1.009 17.163 ( 1.146 -1.796 -1.534) 2.626 17.213 ( 0.108 0.772 0.198) 0.804 17.226 ( -0.218 -0.454 -0.365) 0.622 17.347 ( 1.504 -1.042 1.109) 2.140 17.353 ( 0.496 -1.182 1.192) 1.750 17.535 ( -1.207 3.102 1.475) 3.640 17.596 ( -2.862 -2.675 -0.070) 3.918 17.739 ( -0.695 2.600 0.948) 2.853 17.774 ( 2.472 -0.504 0.359) 2.548 18.393 ( -0.133 0.601 0.424) 0.747 18.412 ( 0.133 -1.012 -0.404) 1.098 18.619 ( -0.302 1.460 0.597) 1.605 18.665 ( 0.540 -2.589 -1.396) 2.991 19.593 ( -0.756 2.734 2.217) 3.600 19.663 ( -1.595 -3.825 2.807) 5.005 19.689 ( 0.826 3.912 -1.967) 4.456 19.787 ( 1.652 -5.409 -2.753) 6.290 21.012 ( -0.690 0.895 2.560) 2.799 21.032 ( -0.771 -1.091 3.614) 3.853 21.195 ( 0.567 1.495 -5.354) 5.587 21.241 ( 0.714 -2.456 -5.161) 5.760 21.484 ( 0.662 0.837 1.300) 1.682 21.522 ( -0.140 -2.576 -0.675) 2.666 21.891 ( -0.934 2.982 3.378) 4.601 21.944 ( -1.456 -1.286 1.368) 2.376 22.000 ( -0.006 0.359 -0.554) 0.660 22.038 ( 1.120 -2.325 0.446) 2.619 22.272 ( -1.190 -0.032 0.420) 1.263 22.292 ( 1.576 -1.721 0.523) 2.391 22.562 ( -0.781 1.406 -2.094) 2.640 22.576 ( 0.531 0.194 -2.148) 2.221 22.757 ( 1.761 2.834 4.241) 5.396 22.817 ( 0.209 -2.687 1.835) 3.261 23.172 ( -1.413 5.672 -3.326) 6.725 23.219 ( -0.997 1.536 -3.043) 3.552 23.309 ( 0.893 4.035 2.160) 4.663 23.377 ( -0.446 -2.578 -2.789) 3.824 23.824 ( 0.373 7.131 2.259) 7.490 23.870 ( 0.205 4.174 2.349) 4.794 24.180 ( 0.277 4.973 2.393) 5.525 24.345 ( -0.330 -9.282 -4.121) 10.161 ======================= Grid point 92 (50/75) ======================= q-point: ( 0.14 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 8.204 13.587 1.066) 15.907 2.728 ( 6.892 8.121 -0.883) 10.688 2.904 ( 3.514 15.488 1.570) 15.959 3.121 ( 6.699 -0.917 0.441) 6.776 3.165 ( 3.044 9.361 -6.367) 11.723 3.263 ( 4.386 7.026 1.697) 8.455 3.391 ( 2.004 -0.342 1.005) 2.268 3.424 ( 1.936 -5.245 -0.088) 5.591 3.667 ( -2.699 11.136 6.482) 13.165 3.845 ( -0.412 -1.607 2.399) 2.917 3.894 ( 5.845 -3.372 4.522) 8.123 3.905 ( 4.254 1.536 3.559) 5.755 4.071 ( -2.026 2.547 -2.480) 4.092 4.100 ( -1.892 -2.491 -6.739) 7.430 4.180 ( -0.594 -5.684 -2.577) 6.269 4.239 ( -0.136 -5.923 -1.575) 6.130 4.468 ( 0.207 1.122 0.242) 1.166 4.508 ( 1.855 -1.402 -8.410) 8.726 4.607 ( -8.674 4.656 6.034) 11.546 4.678 ( -3.114 -2.981 3.997) 5.879 4.835 ( -1.429 3.848 2.717) 4.922 4.932 ( -0.435 -3.449 1.246) 3.693 5.049 ( -0.203 0.409 4.554) 4.577 5.119 ( 4.087 -4.895 0.707) 6.416 5.290 ( -1.029 4.693 -0.537) 4.835 5.375 ( -6.640 -1.433 -0.376) 6.804 5.531 ( 3.302 -2.220 -14.844) 15.368 5.588 ( 2.913 -4.140 -2.351) 5.581 5.838 ( -8.929 2.674 -4.630) 10.408 5.946 ( -7.781 -6.498 4.197) 10.971 6.047 ( -6.507 9.547 2.923) 11.918 6.174 ( -5.246 0.669 -2.790) 5.979 6.264 ( -2.171 5.504 -2.726) 6.514 6.461 ( -4.742 -11.490 -5.522) 13.602 6.506 ( 0.809 -2.641 2.429) 3.678 6.538 ( -3.604 -3.266 1.679) 5.146 6.686 ( -5.735 4.294 5.718) 9.167 6.797 ( 2.893 -1.260 -8.086) 8.680 6.986 ( -4.280 2.767 -7.145) 8.777 7.134 ( -10.482 -5.444 2.651) 12.105 7.178 ( -3.175 -1.306 5.835) 6.770 7.284 ( -3.840 -8.865 6.204) 11.481 7.373 ( -2.963 1.192 2.252) 3.908 7.419 ( -4.770 -2.132 9.122) 10.512 7.702 ( -9.065 0.941 -2.642) 9.489 7.748 ( -6.764 -3.277 5.258) 9.173 7.808 ( -12.259 1.509 -1.668) 12.464 7.929 ( -9.030 -8.602 -2.365) 12.694 8.034 ( 2.817 4.815 0.974) 5.663 8.137 ( 3.360 -4.819 -3.501) 6.839 8.376 ( -1.147 8.600 2.282) 8.971 8.416 ( 3.753 3.322 0.677) 5.057 8.524 ( 3.641 3.647 -6.591) 8.366 8.604 ( 2.388 -0.371 -3.860) 4.554 8.747 ( -3.912 -0.872 -0.747) 4.077 8.776 ( -2.878 -1.849 1.394) 3.694 8.818 ( 6.011 -0.320 1.407) 6.182 8.857 ( -2.270 -7.163 1.055) 7.587 8.927 ( -1.328 -2.532 -4.448) 5.287 9.026 ( -2.872 -7.590 -6.201) 10.213 9.321 ( 4.838 2.262 4.728) 7.133 9.352 ( 1.668 0.026 3.274) 3.675 9.525 ( -1.743 6.089 -5.334) 8.280 9.533 ( -0.476 1.613 1.518) 2.265 9.596 ( -5.409 0.710 4.939) 7.359 9.768 ( -5.355 -5.733 2.892) 8.361 9.859 ( 2.982 5.679 -0.681) 6.450 9.971 ( -0.466 -2.744 5.459) 6.128 10.012 ( 3.145 3.561 -4.326) 6.425 10.084 ( 2.847 2.686 -2.649) 4.727 10.161 ( -4.976 -1.961 -1.209) 5.484 10.250 ( -3.848 -3.976 8.804) 10.398 10.284 ( 1.507 -0.475 5.797) 6.009 10.346 ( 1.188 -6.871 -3.936) 8.007 10.462 ( -4.189 2.531 2.430) 5.464 10.537 ( -3.155 -2.776 1.629) 4.507 10.635 ( 0.690 0.749 -1.174) 1.554 10.710 ( 1.762 -2.946 -0.561) 3.478 10.758 ( 2.877 3.717 -2.465) 5.307 10.890 ( 1.884 -4.101 2.500) 5.160 10.988 ( 2.844 1.659 -1.481) 3.610 11.034 ( 5.668 0.480 -5.156) 7.678 11.079 ( -1.988 -0.598 -2.922) 3.585 11.136 ( -1.317 -3.608 1.750) 4.221 11.194 ( 5.370 3.520 -0.933) 6.488 11.306 ( 5.739 -3.838 1.608) 7.088 11.407 ( 10.980 -0.603 1.218) 11.064 11.474 ( 8.404 -4.525 1.898) 9.732 11.721 ( 3.770 1.737 -4.316) 5.988 11.767 ( 6.648 -0.756 -0.583) 6.716 11.801 ( 9.986 5.155 -5.324) 12.435 11.868 ( 11.174 -0.591 -7.655) 13.558 12.061 ( -8.116 1.047 7.012) 10.777 12.137 ( -9.993 -3.972 7.802) 13.286 12.384 ( 0.457 2.527 -1.032) 2.768 12.460 ( 1.051 -4.195 -0.321) 4.337 12.654 ( 4.848 4.466 -1.556) 6.773 12.725 ( 6.182 -2.251 -3.050) 7.252 12.956 ( -2.647 1.675 -0.823) 3.239 13.019 ( 0.449 -3.742 0.054) 3.769 13.162 ( -2.696 1.435 1.213) 3.286 13.189 ( -1.676 -0.261 1.892) 2.541 13.358 ( 2.959 1.111 0.537) 3.206 13.383 ( 5.380 0.482 1.749) 5.677 13.603 ( -3.817 2.884 -1.361) 4.974 13.656 ( -0.323 1.110 -1.717) 2.070 13.866 ( -1.853 -1.056 0.538) 2.200 13.924 ( -0.131 -4.653 1.764) 4.978 14.227 ( 1.749 5.317 -0.371) 5.610 14.311 ( 3.346 -2.319 -0.218) 4.077 14.439 ( 0.058 2.570 4.813) 5.456 14.475 ( 2.184 -0.935 2.599) 3.521 14.610 ( 1.281 2.117 -4.193) 4.869 14.639 ( 0.933 0.981 -7.130) 7.257 14.792 ( -2.249 1.839 -1.284) 3.176 14.842 ( 0.369 -1.748 -1.914) 2.618 15.138 ( -3.157 7.600 1.826) 8.430 15.258 ( -0.991 -2.000 1.131) 2.503 15.346 ( 0.265 -0.062 -0.466) 0.540 15.398 ( 5.083 -3.180 5.800) 8.342 15.676 ( 1.716 2.186 1.625) 3.219 15.708 ( 1.182 -0.935 0.897) 1.754 15.744 ( -1.974 0.628 0.130) 2.076 15.772 ( -0.403 -0.778 1.541) 1.773 15.813 ( -0.084 1.506 -0.768) 1.693 15.835 ( -0.080 -0.240 -2.439) 2.452 15.947 ( 1.577 2.574 0.672) 3.093 15.965 ( 2.538 1.753 -1.339) 3.362 16.145 ( -2.507 4.311 3.502) 6.094 16.196 ( 0.456 3.773 -0.661) 3.857 16.263 ( -3.111 -0.634 1.033) 3.339 16.375 ( -1.043 -5.803 4.474) 7.401 16.494 ( 4.820 5.895 -4.946) 9.080 16.552 ( 1.476 1.064 -1.669) 2.469 16.643 ( 0.725 -0.809 -3.032) 3.221 16.688 ( 4.986 -5.094 -2.410) 7.524 16.946 ( -1.715 1.740 -0.270) 2.458 16.953 ( -1.363 1.512 0.921) 2.234 17.102 ( -2.190 0.350 0.231) 2.230 17.136 ( -2.422 -2.167 -0.643) 3.312 17.205 ( -0.163 1.460 -0.576) 1.578 17.241 ( 1.279 -1.343 -0.076) 1.856 17.370 ( 1.347 0.946 -1.094) 1.976 17.395 ( 2.403 -1.384 -0.148) 2.778 17.529 ( -2.263 1.238 2.674) 3.716 17.550 ( -2.013 -0.711 2.698) 3.440 17.730 ( -1.101 4.079 0.274) 4.234 17.804 ( 1.001 -2.536 -0.885) 2.866 18.402 ( 0.720 0.465 0.429) 0.959 18.418 ( 0.913 -0.897 -0.423) 1.348 18.619 ( -0.337 1.277 0.634) 1.465 18.658 ( 0.124 -2.028 -1.304) 2.414 19.613 ( 0.649 2.617 2.254) 3.514 19.677 ( 0.417 -2.811 2.626) 3.869 19.704 ( 2.660 3.636 -2.166) 4.999 19.818 ( 4.330 -6.515 -2.752) 8.292 21.027 ( -0.668 0.758 2.968) 3.135 21.056 ( -0.787 -1.755 4.333) 4.741 21.162 ( 0.998 1.381 -4.407) 4.725 21.200 ( 0.257 -2.051 -5.239) 5.632 21.503 ( -0.289 -0.283 -0.343) 0.530 21.511 ( 0.422 -1.030 -0.042) 1.114 21.890 ( -2.451 1.312 2.876) 4.001 21.930 ( -1.172 -2.177 2.346) 3.409 22.009 ( 0.748 1.562 0.238) 1.749 22.041 ( -0.023 -1.199 -0.825) 1.456 22.290 ( 2.562 2.191 0.398) 3.394 22.354 ( 4.167 -3.563 0.069) 5.483 22.521 ( -2.002 2.728 -1.388) 3.658 22.559 ( -0.346 -0.949 -1.374) 1.705 22.795 ( -1.729 1.865 0.378) 2.571 22.829 ( 0.324 -1.203 1.364) 1.847 23.127 ( -2.038 4.148 0.217) 4.626 23.175 ( -0.569 -0.187 -2.711) 2.777 23.335 ( -0.100 2.657 -0.394) 2.688 23.355 ( 1.291 0.734 0.385) 1.534 23.818 ( -3.983 7.826 1.962) 8.998 23.851 ( -2.877 5.271 0.179) 6.008 24.186 ( -3.095 0.308 4.044) 5.102 24.252 ( -4.825 -5.447 -5.004) 8.831 ======================= Grid point 93 (51/75) ======================= q-point: ( 0.29 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 7.646 9.876 3.405) 12.945 2.881 ( 14.061 9.110 0.710) 16.769 3.055 ( 11.471 12.208 -0.097) 16.752 3.144 ( 3.391 5.064 -2.128) 6.455 3.244 ( 6.767 9.542 -7.108) 13.688 3.339 ( 0.285 10.624 2.886) 11.012 3.443 ( 1.674 0.567 -0.622) 1.874 3.501 ( 7.984 -4.882 -1.023) 9.414 3.719 ( 1.313 6.324 7.661) 10.021 3.815 ( -3.428 -0.702 0.283) 3.511 3.922 ( -2.333 2.077 -4.684) 5.630 3.943 ( -0.752 -1.361 -2.380) 2.843 4.055 ( 4.439 3.483 -3.068) 6.423 4.137 ( 4.216 -4.459 -2.182) 6.513 4.153 ( 1.963 2.314 4.806) 5.684 4.229 ( -0.667 -5.740 -2.058) 6.134 4.426 ( -1.419 3.790 -5.003) 6.435 4.463 ( -1.033 0.865 -1.975) 2.391 4.525 ( -4.110 4.224 4.138) 7.201 4.671 ( -0.724 -5.627 3.976) 6.928 4.831 ( -1.072 1.743 -0.503) 2.108 4.923 ( -1.844 -4.558 -0.097) 4.918 5.129 ( 0.729 -0.862 2.163) 2.440 5.171 ( -0.226 -4.680 -1.944) 5.073 5.261 ( -3.185 1.873 7.130) 8.031 5.309 ( 2.003 -3.440 -1.240) 4.170 5.498 ( 2.651 2.094 -3.144) 4.615 5.624 ( -0.495 -6.183 -0.931) 6.272 5.681 ( -4.770 1.769 2.187) 5.538 5.820 ( -9.685 -12.309 4.847) 16.395 5.903 ( -10.952 6.726 0.785) 12.876 6.025 ( -10.107 -1.642 1.756) 10.389 6.179 ( -6.209 -0.755 0.173) 6.257 6.231 ( -9.833 -5.554 -5.406) 12.520 6.437 ( -7.916 4.548 -1.458) 9.245 6.528 ( -1.355 -3.597 0.603) 3.891 6.636 ( -7.309 10.027 8.866) 15.250 6.712 ( -4.755 1.444 -4.865) 6.955 6.879 ( -1.652 -7.261 -3.438) 8.201 6.956 ( -12.905 -10.509 3.908) 17.095 7.121 ( -8.485 1.637 -5.002) 9.985 7.163 ( -4.123 -0.703 0.590) 4.223 7.302 ( -4.352 -1.894 -4.452) 6.507 7.403 ( -4.413 -7.835 2.163) 9.249 7.566 ( -2.224 2.660 0.389) 3.489 7.639 ( -7.457 -2.037 5.890) 9.719 7.724 ( -3.069 -2.730 3.643) 5.490 7.749 ( -4.572 -7.060 -5.442) 10.018 8.046 ( -4.139 2.811 3.810) 6.289 8.130 ( -3.878 -4.644 1.439) 6.219 8.271 ( -4.060 12.648 -2.840) 13.584 8.464 ( 0.847 6.406 1.690) 6.679 8.529 ( 2.125 -5.244 -5.993) 8.242 8.574 ( 0.378 -5.092 -5.239) 7.316 8.650 ( -0.387 2.529 -7.794) 8.203 8.700 ( -0.851 -0.995 -1.310) 1.852 8.843 ( 0.342 -1.624 -0.455) 1.720 8.909 ( -1.241 -3.178 0.055) 3.412 9.041 ( 6.406 -3.096 3.438) 7.902 9.053 ( 4.537 -5.096 4.318) 8.075 9.318 ( -3.143 5.766 -0.882) 6.626 9.389 ( -2.528 -0.386 0.463) 2.599 9.486 ( 1.556 3.689 -2.461) 4.700 9.547 ( -3.577 5.191 9.711) 11.578 9.567 ( 4.482 -1.156 0.528) 4.659 9.693 ( -2.902 -5.001 4.690) 7.445 9.935 ( -1.643 4.986 2.813) 5.955 9.946 ( -4.176 4.173 -3.340) 6.783 10.008 ( -3.030 3.613 -5.282) 7.081 10.043 ( -0.725 3.250 3.852) 5.092 10.103 ( 3.427 -3.086 -3.515) 5.799 10.253 ( -5.739 2.035 4.003) 7.287 10.270 ( -0.483 -7.187 -12.676) 14.580 10.401 ( 0.440 2.742 -0.130) 2.781 10.459 ( 2.855 -5.870 11.175) 12.942 10.522 ( 1.525 -3.300 1.277) 3.853 10.654 ( 3.200 -0.220 -5.510) 6.375 10.717 ( 3.990 -3.284 0.900) 5.246 10.903 ( 8.444 0.308 0.312) 8.456 10.940 ( -1.195 4.709 1.616) 5.120 11.002 ( 3.346 2.175 -0.692) 4.051 11.059 ( 0.284 -1.327 -2.200) 2.584 11.085 ( 3.447 -3.421 -2.632) 5.524 11.151 ( 5.709 -7.424 2.588) 9.717 11.300 ( 4.240 2.630 -0.332) 5.000 11.432 ( 5.857 -7.999 0.500) 9.926 11.558 ( -3.335 4.851 5.134) 7.811 11.636 ( 6.366 -1.135 5.997) 8.820 11.772 ( 6.400 3.915 -4.532) 8.765 11.883 ( 5.733 -2.666 -2.149) 6.678 11.909 ( 5.068 3.178 -8.574) 10.455 11.932 ( 9.622 1.257 -5.218) 11.018 12.098 ( -2.686 -2.901 10.711) 11.417 12.116 ( 2.218 -5.498 5.070) 7.801 12.360 ( 1.603 1.568 -1.181) 2.534 12.433 ( 0.558 -4.748 -2.893) 5.588 12.722 ( 2.561 4.321 -0.407) 5.040 12.788 ( 2.384 -2.078 -2.453) 4.002 12.881 ( -2.736 4.113 -1.844) 5.273 12.990 ( -1.820 -6.161 -1.981) 6.723 13.162 ( 0.880 4.137 2.099) 4.722 13.226 ( 2.218 -1.752 2.297) 3.642 13.429 ( -0.158 6.405 -0.869) 6.466 13.461 ( 1.803 6.822 -0.020) 7.056 13.528 ( -1.129 -1.953 0.107) 2.259 13.632 ( 1.632 -7.697 -1.435) 7.998 13.854 ( -0.727 1.465 1.746) 2.393 13.933 ( -1.791 -4.811 2.528) 5.723 14.284 ( 4.089 5.798 0.286) 7.100 14.377 ( 4.005 -2.273 0.141) 4.608 14.443 ( -3.016 2.284 5.176) 6.411 14.485 ( -3.365 -1.022 1.637) 3.879 14.584 ( 2.646 2.221 -6.187) 7.087 14.641 ( 2.163 -3.190 -4.870) 6.211 14.790 ( 2.709 6.027 2.966) 7.243 14.875 ( 3.399 -1.503 0.491) 3.748 15.099 ( -2.484 5.558 -0.141) 6.089 15.208 ( -3.601 -4.918 0.161) 6.098 15.371 ( 1.657 6.474 -1.363) 6.820 15.511 ( 3.432 -3.864 1.146) 5.294 15.683 ( -1.911 0.958 -0.452) 2.184 15.707 ( -2.758 0.770 1.044) 3.048 15.731 ( 0.546 -1.081 -0.772) 1.436 15.758 ( -2.531 -0.824 -1.722) 3.170 15.819 ( 4.078 1.953 -0.235) 4.527 15.855 ( 3.081 -0.492 1.287) 3.375 15.964 ( -0.385 1.394 0.324) 1.482 15.992 ( 0.235 -0.752 -0.353) 0.864 16.136 ( 1.482 4.982 -1.471) 5.402 16.195 ( -1.249 7.198 1.063) 7.382 16.232 ( 0.884 -3.397 0.187) 3.516 16.359 ( -3.575 -7.018 1.451) 8.009 16.560 ( 3.885 4.525 0.689) 6.004 16.594 ( 2.951 1.241 0.312) 3.216 16.645 ( 1.986 2.529 -1.964) 3.768 16.758 ( 4.150 -5.959 -1.356) 7.387 16.903 ( -2.536 2.761 0.224) 3.756 16.938 ( -1.240 0.428 1.938) 2.340 17.058 ( -2.691 -0.236 -0.073) 2.703 17.081 ( -3.057 -1.986 -0.075) 3.646 17.197 ( 0.393 3.152 -1.556) 3.537 17.264 ( 1.065 -2.254 0.507) 2.544 17.377 ( 1.674 1.309 -2.909) 3.603 17.417 ( 1.326 -2.284 -2.321) 3.516 17.527 ( -1.023 2.540 4.109) 4.938 17.558 ( -2.451 -0.128 5.396) 5.928 17.707 ( -0.621 4.321 -1.366) 4.574 17.796 ( 0.079 -3.560 -2.436) 4.315 18.422 ( 0.931 0.260 0.383) 1.039 18.433 ( 1.057 -0.779 -0.285) 1.344 18.619 ( -0.241 1.219 0.513) 1.345 18.649 ( 0.164 -1.271 -1.065) 1.666 19.650 ( 1.192 3.118 1.702) 3.747 19.723 ( 2.172 0.812 2.030) 3.081 19.731 ( 1.819 0.465 -1.230) 2.244 19.878 ( 4.807 -8.771 -2.709) 10.362 21.034 ( -0.695 1.424 1.036) 1.893 21.076 ( -1.379 -2.396 3.833) 4.726 21.157 ( 1.243 -0.215 -1.641) 2.069 21.165 ( 0.500 -1.029 -2.560) 2.804 21.486 ( -0.200 1.143 -0.900) 1.468 21.527 ( 0.824 -2.582 0.312) 2.728 21.862 ( -2.477 2.214 0.524) 3.364 21.915 ( -2.480 -2.407 0.577) 3.504 22.033 ( 1.689 1.025 -0.155) 1.982 22.055 ( 1.928 -1.007 0.535) 2.240 22.354 ( 3.686 3.134 0.429) 4.857 22.412 ( 1.635 -1.724 0.128) 2.379 22.469 ( -2.330 3.386 -0.822) 4.191 22.548 ( 0.605 -4.363 -0.876) 4.491 22.741 ( -1.833 4.125 -2.401) 5.113 22.821 ( -1.744 -3.429 -0.629) 3.898 23.104 ( -1.613 4.368 2.327) 5.206 23.162 ( -1.231 -1.075 2.573) 3.048 23.339 ( 1.615 5.375 -0.699) 5.656 23.405 ( 3.409 -1.008 0.358) 3.572 23.728 ( -5.904 6.374 -0.396) 8.697 23.776 ( -5.225 2.244 -1.475) 5.875 24.119 ( -4.928 1.222 -2.849) 5.822 24.145 ( -5.168 -0.770 3.321) 6.191 ======================= Grid point 94 (52/75) ======================= q-point: ( 0.43 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 3.013 10.386 5.577) 12.167 3.100 ( 5.465 3.240 2.486) 6.822 3.197 ( 5.790 13.232 0.121) 14.444 3.253 ( 7.060 11.946 -7.690) 15.865 3.312 ( 3.917 4.855 4.212) 7.527 3.326 ( 1.836 4.685 -2.942) 5.829 3.428 ( -1.041 9.110 -3.413) 9.784 3.600 ( 2.774 -1.190 -1.089) 3.209 3.745 ( -4.757 7.852 1.116) 9.248 3.769 ( -1.460 3.379 1.635) 4.027 3.856 ( -4.253 0.120 5.148) 6.679 3.944 ( 2.597 -5.781 -5.822) 8.606 4.066 ( 1.712 3.924 -0.598) 4.323 4.173 ( 3.692 5.130 -1.205) 6.434 4.252 ( 5.696 -3.689 -3.459) 7.617 4.273 ( 7.305 -2.420 -2.204) 8.005 4.367 ( -2.485 4.835 -0.196) 5.440 4.441 ( 0.799 -0.417 -2.503) 2.661 4.527 ( -2.003 3.948 3.994) 5.963 4.713 ( -0.315 -6.972 6.228) 9.354 4.779 ( -0.842 0.154 -7.818) 7.864 4.850 ( -2.566 -3.671 -4.288) 6.201 5.080 ( -2.569 -1.302 -2.313) 3.694 5.129 ( -1.842 -6.009 -2.529) 6.775 5.256 ( -2.869 3.381 4.213) 6.116 5.369 ( 1.363 -3.587 -2.629) 4.651 5.468 ( -6.215 -2.449 1.237) 6.794 5.532 ( -0.565 -4.666 -4.221) 6.317 5.668 ( -5.266 -1.401 3.724) 6.600 5.724 ( -5.132 -6.617 2.879) 8.855 5.844 ( 0.759 0.175 11.350) 11.377 5.909 ( -4.305 -5.379 9.005) 11.339 6.067 ( -4.900 -0.197 1.877) 5.251 6.125 ( -2.556 -3.129 0.742) 4.108 6.299 ( -1.829 7.620 -2.222) 8.145 6.480 ( -0.970 -3.205 -4.789) 5.844 6.596 ( -3.157 0.517 3.947) 5.081 6.626 ( -3.715 5.524 3.465) 7.505 6.746 ( -7.433 -9.204 -1.236) 11.895 6.841 ( -2.778 -9.430 2.328) 10.103 7.054 ( -0.357 4.265 -0.094) 4.281 7.083 ( -0.828 2.754 -5.443) 6.156 7.180 ( -1.174 -6.097 -7.416) 9.672 7.290 ( -4.737 -12.120 -4.649) 13.818 7.571 ( -3.724 -0.594 2.140) 4.336 7.583 ( 0.821 -0.688 1.373) 1.741 7.705 ( -1.280 -1.560 1.949) 2.806 7.719 ( 0.700 -2.468 -0.265) 2.579 8.031 ( -3.435 1.423 10.009) 10.678 8.103 ( -1.156 -4.736 7.932) 9.310 8.252 ( 1.895 10.520 1.032) 10.739 8.456 ( -2.175 6.666 -1.604) 7.193 8.483 ( 1.415 -7.266 -3.493) 8.186 8.578 ( 3.978 4.470 -7.578) 9.655 8.620 ( 4.693 1.673 -5.028) 7.078 8.682 ( -2.024 -9.180 0.900) 9.444 8.864 ( -1.112 2.557 -0.777) 2.894 8.896 ( 2.731 -0.988 1.978) 3.514 9.051 ( -2.956 -0.814 -0.177) 3.071 9.081 ( -0.227 -3.191 -2.761) 4.226 9.316 ( 0.894 5.694 -1.384) 5.928 9.382 ( -1.358 1.309 3.664) 4.121 9.503 ( -2.418 0.068 0.977) 2.609 9.551 ( -2.933 0.105 4.411) 5.298 9.634 ( -4.565 -2.437 -11.025) 12.179 9.655 ( -1.136 -0.629 -3.859) 4.071 9.842 ( 1.040 2.861 0.980) 3.199 9.869 ( -1.571 1.189 -5.338) 5.690 9.942 ( -1.439 5.522 -3.854) 6.886 10.054 ( -0.839 1.695 1.270) 2.278 10.094 ( 2.709 4.721 -2.036) 5.811 10.208 ( 5.099 -8.019 5.449) 10.954 10.276 ( -0.635 -0.461 1.950) 2.102 10.398 ( 1.180 1.425 -1.997) 2.722 10.538 ( -3.208 -6.017 6.309) 9.290 10.541 ( -0.973 -2.582 2.491) 3.717 10.745 ( 7.337 3.709 -0.719) 8.253 10.863 ( 4.617 -4.728 2.544) 7.082 10.886 ( -2.516 5.840 -1.027) 6.442 10.951 ( 1.158 -1.436 -4.426) 4.795 11.030 ( 2.642 4.012 1.996) 5.202 11.133 ( 5.346 0.933 2.423) 5.944 11.156 ( 1.533 -7.606 -0.908) 7.812 11.252 ( 4.388 -5.066 -0.506) 6.721 11.351 ( 1.424 3.440 1.848) 4.157 11.493 ( -6.035 4.262 5.867) 9.434 11.501 ( -0.016 -5.475 1.649) 5.718 11.655 ( -9.564 -7.038 8.248) 14.458 11.843 ( 4.936 3.432 -7.085) 9.292 11.856 ( 1.538 4.026 -10.361) 11.222 11.954 ( 3.914 -1.476 -6.014) 7.325 12.001 ( 3.485 -6.752 -8.060) 11.077 12.190 ( 2.994 -0.832 7.264) 7.901 12.205 ( 2.343 -1.182 9.383) 9.743 12.436 ( 3.628 2.269 2.057) 4.748 12.493 ( 3.307 -3.495 0.938) 4.902 12.698 ( -2.610 2.668 2.173) 4.319 12.780 ( -0.502 -4.409 -0.186) 4.442 12.879 ( 3.653 5.293 -2.917) 7.062 12.969 ( 1.132 -3.583 -2.335) 4.424 13.164 ( -3.044 5.572 0.286) 6.356 13.248 ( -1.668 -2.304 -1.431) 3.184 13.382 ( 1.015 3.485 -2.202) 4.245 13.443 ( -1.049 -0.713 -2.235) 2.570 13.540 ( 0.592 5.253 1.351) 5.456 13.665 ( -0.162 -5.881 -1.280) 6.020 13.880 ( 1.771 -1.490 2.402) 3.336 13.908 ( -2.749 -3.528 2.193) 4.981 14.356 ( 2.020 5.213 2.813) 6.258 14.426 ( -2.063 -1.357 2.780) 3.718 14.458 ( 0.444 0.960 4.950) 5.062 14.466 ( 0.067 1.109 3.003) 3.202 14.586 ( 2.943 1.912 -3.804) 5.176 14.637 ( 1.683 -2.382 -2.291) 3.708 14.871 ( 2.023 4.419 -2.603) 5.513 14.918 ( 2.548 0.396 -2.729) 3.755 15.046 ( -2.655 5.335 0.914) 6.029 15.168 ( -2.142 -6.124 3.243) 7.253 15.361 ( 0.319 7.927 -3.960) 8.867 15.551 ( 2.380 -6.947 -4.275) 8.497 15.631 ( -2.896 2.007 0.036) 3.524 15.667 ( -1.212 0.767 -1.192) 1.865 15.694 ( -1.787 1.013 -2.033) 2.891 15.713 ( -0.399 -1.510 -2.144) 2.652 15.905 ( 3.895 2.194 1.021) 4.585 15.922 ( 1.628 0.537 1.784) 2.474 15.946 ( -1.475 0.347 -0.740) 1.687 15.984 ( 0.482 -2.978 0.686) 3.093 16.147 ( -0.763 6.011 -1.196) 6.176 16.206 ( 0.809 4.448 4.612) 6.459 16.268 ( 0.631 -3.774 -3.916) 5.475 16.301 ( -1.530 -4.759 2.430) 5.558 16.621 ( 0.125 4.454 0.292) 4.466 16.632 ( 2.936 4.657 1.284) 5.653 16.678 ( 1.248 -0.883 1.554) 2.180 16.789 ( 1.513 -6.994 -2.484) 7.574 16.888 ( -1.015 5.164 3.425) 6.279 16.954 ( -0.135 -0.747 4.062) 4.133 17.012 ( -1.568 -0.107 -1.170) 1.959 17.042 ( -1.084 -3.339 0.558) 3.554 17.193 ( 0.901 5.378 -1.861) 5.762 17.286 ( 0.374 -2.539 1.421) 2.933 17.373 ( 1.383 0.405 -4.803) 5.015 17.405 ( 0.526 -1.884 -3.078) 3.647 17.540 ( -2.523 2.377 3.520) 4.940 17.556 ( -2.239 1.618 4.834) 5.568 17.692 ( 0.381 3.103 -1.484) 3.461 17.774 ( 0.776 -3.706 -3.400) 5.089 18.437 ( 0.298 0.116 0.336) 0.464 18.446 ( 0.536 -0.682 -0.138) 0.878 18.619 ( -0.201 1.291 0.325) 1.346 18.645 ( 0.395 -0.882 -0.905) 1.324 19.676 ( 0.081 3.556 1.107) 3.725 19.733 ( 0.399 2.749 -2.000) 3.423 19.786 ( 1.299 -1.581 3.622) 4.160 19.926 ( 2.908 -10.091 -2.445) 10.783 21.024 ( -0.678 1.500 -0.113) 1.650 21.066 ( -1.850 -2.536 0.493) 3.177 21.162 ( 0.985 0.515 0.535) 1.233 21.189 ( 1.254 -2.053 1.463) 2.816 21.488 ( 0.675 2.057 0.508) 2.224 21.543 ( 0.428 -2.868 0.213) 2.908 21.816 ( -1.474 1.757 -2.101) 3.111 21.866 ( -1.826 -2.704 -2.171) 3.919 22.059 ( 1.174 1.065 -0.838) 1.793 22.076 ( -0.031 -0.576 -0.947) 1.109 22.397 ( -0.143 1.806 0.411) 1.858 22.411 ( -1.207 0.440 0.365) 1.336 22.468 ( 2.534 4.507 2.374) 5.690 22.575 ( 1.763 -4.415 1.023) 4.863 22.710 ( 1.001 2.391 -2.458) 3.572 22.775 ( -2.222 -3.130 -1.262) 4.041 23.107 ( -1.428 4.225 3.784) 5.849 23.163 ( -1.448 -0.878 3.067) 3.503 23.375 ( 2.437 6.123 -0.261) 6.595 23.468 ( 2.642 -2.599 -0.446) 3.733 23.628 ( -3.990 3.910 -1.674) 5.832 23.661 ( -3.173 1.098 -3.271) 4.687 24.052 ( -0.777 4.103 0.047) 4.177 24.083 ( -3.834 1.147 1.701) 4.348 ======================= Grid point 95 (53/75) ======================= q-point: (-0.43 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -8.506 14.374 4.563) 17.315 3.126 ( -11.196 5.641 2.254) 12.738 3.173 ( -4.089 6.742 0.095) 7.885 3.249 ( -6.387 3.650 1.731) 7.557 3.300 ( 3.460 10.043 -4.638) 11.591 3.395 ( 1.322 2.093 -2.223) 3.327 3.464 ( 7.273 10.632 -5.192) 13.889 3.576 ( -1.092 4.478 -3.293) 5.664 3.704 ( -5.789 9.788 8.164) 13.999 3.755 ( -2.001 4.306 -1.059) 4.865 3.826 ( 2.570 1.308 2.881) 4.076 3.967 ( 4.266 -7.698 -7.032) 11.265 4.078 ( -1.158 2.535 1.924) 3.387 4.183 ( -4.477 -4.562 -2.509) 6.867 4.258 ( -4.721 0.440 -1.222) 4.896 4.292 ( -2.130 -2.501 -3.019) 4.462 4.364 ( 0.916 5.350 0.280) 5.435 4.432 ( -0.221 -0.016 3.773) 3.779 4.517 ( 2.931 7.602 -2.033) 8.397 4.660 ( -0.854 -0.878 -6.855) 6.964 4.767 ( -1.329 -3.504 8.267) 9.077 4.815 ( -3.945 -5.414 -0.025) 6.699 4.999 ( -2.248 -1.119 -8.267) 8.640 5.104 ( 6.947 -7.306 -3.220) 10.583 5.240 ( -1.919 -1.099 3.674) 4.288 5.341 ( -0.737 -9.416 -0.892) 9.486 5.488 ( 7.462 4.434 -1.139) 8.754 5.589 ( 10.787 -5.165 -0.930) 11.996 5.684 ( 4.183 -0.480 -0.063) 4.211 5.735 ( 4.906 -4.908 2.507) 7.379 5.955 ( 1.833 3.742 11.406) 12.143 6.032 ( 2.634 1.199 7.756) 8.279 6.047 ( -1.033 -3.855 8.508) 9.398 6.152 ( 6.348 -4.792 1.368) 8.070 6.324 ( 5.106 1.387 -3.814) 6.522 6.434 ( 1.908 -2.522 -7.629) 8.259 6.577 ( -0.350 -0.341 1.686) 1.756 6.646 ( 0.676 2.122 -1.067) 2.470 6.748 ( 4.652 -1.057 10.165) 11.229 6.880 ( 4.250 -8.724 5.433) 11.122 7.024 ( 1.454 1.818 -5.848) 6.295 7.053 ( 2.138 2.761 -8.307) 9.011 7.101 ( -1.037 -8.489 -6.842) 10.952 7.234 ( 3.922 -11.079 -4.521) 12.592 7.543 ( -1.061 1.175 1.556) 2.220 7.590 ( 0.056 -3.179 1.721) 3.615 7.747 ( 4.639 0.195 -0.172) 4.646 7.769 ( 4.933 -2.269 1.491) 5.631 8.099 ( -2.319 2.303 12.635) 13.051 8.173 ( -2.245 -3.167 8.560) 9.399 8.304 ( -0.266 9.323 1.702) 9.481 8.419 ( 2.923 1.433 -2.298) 3.985 8.520 ( 3.918 -2.870 -3.222) 5.828 8.577 ( -0.268 -2.407 -8.932) 9.255 8.614 ( 0.051 2.790 -2.283) 3.605 8.677 ( 5.517 1.225 -3.722) 6.768 8.886 ( 1.597 2.154 4.298) 5.066 8.946 ( -4.822 -3.040 0.535) 5.725 8.989 ( -1.934 -1.548 -4.978) 5.560 9.034 ( 0.526 -5.204 -1.130) 5.351 9.276 ( -0.110 3.185 -4.089) 5.184 9.365 ( 0.226 -2.395 -6.487) 6.919 9.424 ( 0.135 0.606 9.013) 9.035 9.457 ( -4.321 -1.720 0.221) 4.656 9.594 ( 1.124 3.560 1.304) 3.955 9.617 ( 0.256 2.676 1.075) 2.895 9.819 ( -2.234 0.919 -1.554) 2.872 9.847 ( 0.164 -3.959 -5.634) 6.888 9.880 ( 4.327 8.002 -6.824) 11.372 10.040 ( 4.602 -3.030 -7.201) 9.067 10.179 ( -5.960 2.729 0.063) 6.556 10.287 ( 0.849 3.557 2.694) 4.543 10.353 ( 3.998 1.990 11.473) 12.312 10.410 ( -1.934 1.254 -0.343) 2.330 10.502 ( -3.928 -5.528 2.737) 7.313 10.587 ( 1.580 -6.416 4.603) 8.053 10.734 ( -5.255 6.270 -2.170) 8.464 10.838 ( -1.431 -2.198 3.491) 4.367 10.897 ( 0.111 1.020 -7.969) 8.035 10.934 ( 0.934 -0.233 -0.490) 1.080 11.104 ( -3.745 -5.733 0.958) 6.915 11.125 ( -2.333 -4.492 0.977) 5.155 11.211 ( 3.583 2.670 -0.807) 4.541 11.278 ( -2.096 0.811 2.933) 3.695 11.382 ( -0.391 0.434 -0.142) 0.601 11.472 ( -2.271 1.130 5.138) 5.730 11.489 ( -5.871 -3.033 4.881) 8.215 11.579 ( -0.976 -5.925 3.994) 7.212 11.729 ( -3.988 4.559 -6.252) 8.705 11.869 ( -4.226 -6.105 -5.697) 9.359 11.893 ( 3.592 3.560 -5.076) 7.165 12.006 ( 2.434 -5.405 -4.708) 7.570 12.265 ( -2.396 0.118 4.553) 5.146 12.295 ( 0.414 -3.114 3.365) 4.603 12.455 ( -2.832 4.978 4.440) 7.246 12.524 ( 1.042 -1.335 0.576) 1.789 12.716 ( -1.484 1.188 2.250) 2.945 12.773 ( -2.616 -3.894 1.502) 4.926 12.908 ( 2.831 3.372 -4.997) 6.660 12.971 ( 3.591 -2.237 -3.642) 5.583 13.106 ( -3.124 3.082 1.715) 4.712 13.160 ( -4.159 -1.692 -1.949) 4.895 13.399 ( 1.151 1.142 -1.167) 1.998 13.435 ( 1.368 -1.806 -3.382) 4.070 13.564 ( 0.219 5.858 3.854) 7.015 13.621 ( -0.949 1.276 -2.360) 2.846 13.875 ( -2.559 -1.611 1.474) 3.364 13.942 ( 1.623 -7.320 2.083) 7.782 14.399 ( -1.299 2.160 3.925) 4.665 14.414 ( -2.684 1.472 4.281) 5.262 14.464 ( -1.381 1.797 1.023) 2.487 14.509 ( -0.215 -0.953 0.009) 0.977 14.629 ( 3.236 3.573 2.158) 5.282 14.673 ( 2.397 -0.626 1.825) 3.077 14.814 ( -1.090 3.517 -4.496) 5.812 14.864 ( -1.626 -0.334 -8.424) 8.586 15.084 ( 1.619 4.714 4.772) 6.901 15.162 ( -2.561 -1.104 1.526) 3.179 15.338 ( 0.783 2.799 -1.396) 3.224 15.462 ( -3.719 -6.625 -8.207) 11.184 15.642 ( 1.846 2.646 -1.120) 3.415 15.665 ( 2.557 2.028 -0.455) 3.295 15.668 ( -0.082 -0.707 0.384) 0.809 15.698 ( 0.823 -0.990 -1.353) 1.868 15.905 ( -2.616 1.218 -0.080) 2.887 15.925 ( -1.414 -0.523 1.191) 1.921 15.967 ( 1.672 2.986 0.057) 3.423 16.024 ( 2.942 -2.152 -0.307) 3.658 16.108 ( -4.009 2.561 2.247) 5.261 16.167 ( -5.337 -2.857 -1.564) 6.252 16.271 ( 1.317 4.521 1.797) 5.040 16.341 ( 2.818 -1.996 -0.626) 3.510 16.624 ( -0.661 3.186 1.778) 3.708 16.677 ( 1.218 4.457 -0.374) 4.636 16.686 ( -2.342 -2.513 1.955) 3.952 16.796 ( 1.834 -5.169 -2.310) 5.951 16.910 ( -0.376 5.278 4.058) 6.668 16.989 ( -0.203 -0.222 2.255) 2.275 16.997 ( 1.046 -1.102 0.174) 1.529 17.051 ( 0.687 -4.449 1.122) 4.640 17.189 ( -0.244 6.395 -1.036) 6.483 17.296 ( -1.082 -2.489 1.825) 3.271 17.336 ( 1.553 1.367 -6.625) 6.941 17.396 ( 1.719 -3.059 -3.719) 5.113 17.524 ( -2.588 2.822 4.105) 5.613 17.556 ( -2.643 0.205 4.802) 5.485 17.689 ( 0.785 3.489 -1.670) 3.947 17.768 ( 1.874 -3.207 -3.353) 5.004 18.436 ( -0.712 0.223 0.271) 0.794 18.448 ( -0.224 -0.823 -0.072) 0.856 18.618 ( -0.210 1.463 0.259) 1.500 18.646 ( 0.685 -0.994 -0.836) 1.469 19.667 ( -2.116 3.391 0.831) 4.082 19.717 ( -0.701 1.762 -0.514) 1.965 19.816 ( -1.513 -1.550 2.593) 3.378 19.927 ( -0.128 -8.945 -2.629) 9.324 21.013 ( -0.749 0.789 0.527) 1.209 21.035 ( -1.506 -1.257 -0.210) 1.973 21.196 ( 1.510 0.258 1.529) 2.165 21.223 ( 1.444 -2.234 0.603) 2.728 21.513 ( 0.472 1.169 1.624) 2.056 21.536 ( -0.902 -0.815 -0.671) 1.389 21.788 ( 0.284 0.203 -1.443) 1.484 21.823 ( 0.684 -2.858 -3.261) 4.390 22.047 ( -1.531 0.906 -0.720) 1.919 22.058 ( -0.326 -0.210 -0.614) 0.726 22.393 ( -1.332 1.574 0.506) 2.123 22.402 ( 0.465 0.832 0.781) 1.232 22.540 ( 0.752 3.473 3.294) 4.845 22.584 ( -0.797 0.206 -1.013) 1.306 22.723 ( -1.135 -1.277 -2.389) 2.937 22.740 ( 3.351 -2.951 -0.962) 4.568 23.120 ( -0.901 5.116 4.069) 6.599 23.196 ( 2.560 -1.989 3.234) 4.579 23.385 ( -2.368 3.973 1.033) 4.739 23.434 ( -4.138 -0.486 -2.574) 4.898 23.598 ( 3.415 5.669 -1.408) 6.766 23.661 ( 4.869 -0.201 -3.160) 5.809 24.056 ( 0.085 4.417 0.325) 4.430 24.095 ( 4.534 0.546 1.343) 4.760 ======================= Grid point 96 (54/75) ======================= q-point: (-0.29 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -11.670 13.352 2.370) 17.890 2.896 ( -11.996 11.505 2.111) 16.755 2.998 ( -10.227 11.591 -2.119) 15.603 3.180 ( -6.992 6.661 -2.952) 10.098 3.245 ( -2.637 1.806 1.311) 3.454 3.350 ( -3.358 -6.175 -2.870) 7.593 3.467 ( -0.625 12.725 -3.907) 13.326 3.549 ( -3.221 2.584 1.382) 4.355 3.656 ( -7.808 6.343 6.013) 11.720 3.774 ( 2.030 10.048 -0.995) 10.299 3.829 ( -3.682 -6.093 0.066) 7.120 3.936 ( -2.673 -5.219 -2.376) 6.327 3.991 ( -5.914 2.467 -1.691) 6.627 4.107 ( 3.386 -6.260 -2.402) 7.511 4.224 ( 3.802 1.645 -3.161) 5.211 4.290 ( 4.213 -4.830 -1.651) 6.619 4.401 ( 2.783 8.379 3.500) 9.497 4.469 ( -1.864 1.265 7.495) 7.827 4.561 ( 2.402 1.063 -0.583) 2.690 4.656 ( 2.958 -5.610 -8.156) 10.331 4.736 ( 1.589 0.810 -0.396) 1.827 4.821 ( -1.171 -5.806 6.505) 8.798 4.953 ( 1.480 2.949 0.211) 3.306 5.157 ( 3.637 -12.138 -5.563) 13.838 5.285 ( -1.400 -0.465 5.795) 5.979 5.343 ( 0.004 -5.208 2.204) 5.655 5.657 ( 13.158 9.504 -5.200) 17.044 5.756 ( 9.882 -2.216 -0.065) 10.127 5.819 ( 5.455 1.569 5.308) 7.772 5.916 ( 10.092 -5.134 3.611) 11.885 6.050 ( -2.895 1.794 4.598) 5.722 6.109 ( 5.405 -0.804 -1.794) 5.751 6.184 ( 7.206 6.072 3.826) 10.171 6.253 ( 3.261 1.977 -7.318) 8.252 6.418 ( 4.510 -5.276 -4.006) 8.014 6.491 ( 13.006 -10.588 4.884) 17.468 6.588 ( -0.284 -1.377 1.084) 1.775 6.683 ( 3.004 -4.298 0.305) 5.253 6.933 ( 1.680 0.035 0.906) 1.909 6.947 ( 1.147 -0.669 -8.754) 8.854 7.017 ( 10.910 -0.330 2.056) 11.107 7.062 ( 6.695 0.962 -2.233) 7.122 7.176 ( 10.174 -1.256 3.084) 10.706 7.309 ( 5.315 -10.250 1.358) 11.626 7.573 ( 4.363 3.080 -0.460) 5.360 7.671 ( 8.317 -6.271 0.248) 10.419 7.825 ( 4.187 2.551 -1.173) 5.041 7.887 ( 4.573 -2.727 1.891) 5.650 8.088 ( -8.128 -0.060 5.330) 9.720 8.167 ( -4.841 -5.720 1.837) 7.715 8.292 ( -1.070 7.513 -0.279) 7.594 8.431 ( -2.099 -0.597 -6.151) 6.527 8.468 ( 4.361 1.452 -3.703) 5.902 8.541 ( 4.521 -2.642 -6.957) 8.707 8.645 ( 4.376 4.594 -6.450) 9.048 8.734 ( 1.046 4.335 2.784) 5.257 8.862 ( -1.550 -3.393 -1.874) 4.174 8.887 ( -0.750 -4.637 -0.194) 4.701 8.932 ( -0.874 0.719 4.168) 4.319 9.097 ( 2.879 -9.229 2.898) 10.093 9.274 ( 0.678 1.816 -0.893) 2.134 9.348 ( -3.788 -2.446 -2.112) 4.979 9.513 ( 5.531 1.529 6.886) 8.964 9.542 ( 0.875 1.957 3.809) 4.370 9.652 ( 6.382 3.360 2.516) 7.639 9.683 ( 1.820 4.167 5.551) 7.176 9.758 ( 1.389 5.041 -3.164) 6.112 9.863 ( 5.040 -6.424 -0.498) 8.180 9.918 ( 3.279 5.731 -1.307) 6.731 10.029 ( 1.103 -5.166 -6.553) 8.417 10.108 ( 1.111 5.742 -2.782) 6.477 10.271 ( -3.772 -4.254 3.080) 6.466 10.340 ( -3.701 1.259 -1.711) 4.268 10.392 ( -2.312 -2.535 -4.554) 5.702 10.460 ( -5.844 3.267 11.255) 13.096 10.550 ( -7.074 -3.904 1.612) 8.239 10.687 ( -1.686 -0.472 -1.639) 2.398 10.761 ( -5.310 -4.063 -6.348) 9.220 10.888 ( 0.740 3.445 2.787) 4.492 10.950 ( -2.146 3.466 -0.729) 4.142 11.013 ( -6.374 -7.197 1.634) 9.751 11.059 ( 2.746 -4.668 -0.861) 5.484 11.208 ( -2.522 2.538 -1.318) 3.813 11.261 ( -3.890 -0.269 0.791) 3.979 11.325 ( -3.174 0.425 -1.853) 3.700 11.394 ( -4.057 -2.209 -2.609) 5.305 11.481 ( -6.819 2.610 6.158) 9.552 11.585 ( -8.247 -6.804 5.808) 12.167 11.631 ( -1.830 2.874 -2.200) 4.056 11.749 ( -5.240 -6.424 -0.481) 8.304 11.883 ( 1.695 7.019 -3.755) 8.139 11.996 ( 1.704 -2.780 -2.204) 3.936 12.233 ( -6.011 0.454 2.078) 6.377 12.291 ( -4.529 -5.107 2.803) 7.379 12.446 ( -0.516 3.945 3.223) 5.120 12.513 ( 0.013 -1.511 -3.058) 3.411 12.662 ( -7.570 -0.287 1.562) 7.734 12.681 ( -4.427 -1.172 -6.427) 7.891 12.910 ( 3.221 4.373 -3.616) 6.524 12.985 ( 2.738 -2.792 -2.699) 4.751 13.122 ( -0.608 0.515 3.789) 3.872 13.136 ( 1.101 -0.697 3.292) 3.541 13.386 ( -1.269 0.554 -0.702) 1.552 13.411 ( -1.392 -0.402 -0.366) 1.494 13.584 ( 1.031 5.574 -2.814) 6.329 13.630 ( 1.073 1.941 2.318) 3.208 13.857 ( -0.185 -0.402 1.165) 1.246 13.966 ( -0.927 -9.067 1.905) 9.311 14.364 ( -5.901 3.276 0.363) 6.759 14.374 ( -4.257 1.036 2.949) 5.281 14.446 ( -1.896 2.670 -0.229) 3.282 14.483 ( -0.948 -1.033 -0.774) 1.601 14.671 ( -1.607 1.177 -0.532) 2.061 14.721 ( 3.133 -2.377 0.167) 3.936 14.815 ( 3.275 3.516 -3.773) 6.109 14.826 ( 3.725 2.951 0.134) 4.754 15.097 ( -2.575 3.321 0.729) 4.265 15.138 ( -0.190 0.964 0.907) 1.337 15.329 ( -2.047 -1.711 -3.356) 4.287 15.374 ( -0.659 -4.155 3.221) 5.298 15.649 ( 1.165 4.667 -1.083) 4.931 15.680 ( 0.222 1.455 -0.362) 1.516 15.713 ( 1.327 -1.226 0.683) 1.931 15.726 ( 2.856 -0.196 -0.176) 2.869 15.856 ( -2.692 2.062 -0.071) 3.392 15.897 ( -2.578 -1.120 0.219) 2.819 15.988 ( 2.270 3.777 -2.225) 4.937 16.024 ( -4.605 3.555 1.607) 6.036 16.081 ( -3.867 -2.245 0.622) 4.514 16.084 ( 2.797 -4.002 -0.638) 4.924 16.278 ( -1.774 5.777 0.819) 6.098 16.384 ( 1.530 -3.587 1.039) 4.036 16.627 ( -0.928 1.366 1.256) 2.075 16.643 ( -2.684 -0.803 -0.196) 2.808 16.662 ( -1.473 4.954 -2.241) 5.634 16.795 ( -0.350 -5.757 -1.650) 5.999 16.934 ( -0.323 4.561 1.569) 4.834 16.984 ( -1.663 0.479 0.741) 1.882 17.042 ( 3.379 -0.479 0.617) 3.468 17.085 ( 2.995 -3.680 -0.504) 4.772 17.173 ( 0.346 5.850 -1.073) 5.958 17.282 ( -1.724 -3.177 0.846) 3.712 17.325 ( 1.232 0.998 -2.663) 3.100 17.384 ( 0.092 -3.893 -2.798) 4.795 17.529 ( -1.021 3.171 3.805) 5.057 17.574 ( -0.611 -0.709 6.037) 6.109 17.689 ( 1.089 4.164 -1.632) 4.603 17.768 ( 1.307 -2.622 -3.190) 4.331 18.420 ( -1.292 0.472 0.262) 1.400 18.437 ( -0.808 -1.051 -0.164) 1.335 18.617 ( -0.180 1.622 0.364) 1.672 18.653 ( 0.977 -1.562 -0.909) 2.054 19.629 ( -2.749 3.508 1.098) 4.590 19.699 ( -1.735 -0.373 1.109) 2.093 19.780 ( -3.681 -0.577 0.484) 3.757 19.879 ( -2.215 -7.104 -2.906) 7.988 21.008 ( -0.909 0.410 1.464) 1.772 21.015 ( -0.905 -0.247 0.790) 1.226 21.230 ( 1.312 -0.098 -0.383) 1.370 21.250 ( 1.865 -1.778 -1.158) 2.825 21.493 ( -1.406 1.441 -1.323) 2.409 21.536 ( -0.198 -2.171 0.569) 2.253 21.795 ( 1.650 1.823 0.256) 2.472 21.856 ( 3.459 -3.563 1.090) 5.084 22.017 ( -1.376 1.638 -0.178) 2.147 22.046 ( -0.810 -1.153 0.210) 1.424 22.356 ( -3.562 2.596 0.473) 4.433 22.405 ( -2.044 -1.677 0.209) 2.652 22.546 ( 0.946 0.817 -2.447) 2.748 22.560 ( -0.413 -0.234 1.131) 1.227 22.705 ( 0.921 2.892 -2.456) 3.904 22.778 ( 1.401 -3.340 -0.319) 3.636 23.164 ( 1.899 7.621 3.521) 8.607 23.295 ( 4.082 -4.235 2.088) 6.242 23.331 ( -3.970 2.405 0.847) 4.718 23.337 ( -2.794 1.912 -2.218) 4.048 23.686 ( 6.018 5.058 0.473) 7.876 23.725 ( 4.852 1.635 -2.582) 5.734 24.086 ( 2.859 7.475 -0.136) 8.004 24.217 ( 7.254 -5.062 0.637) 8.869 ======================= Grid point 97 (55/75) ======================= q-point: (-0.14 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -8.994 13.621 1.285) 16.373 2.740 ( -6.391 6.708 -1.799) 9.438 2.867 ( -4.255 22.777 1.669) 23.231 3.049 ( -3.034 10.772 -1.850) 11.343 3.171 ( -4.177 0.106 -2.931) 5.104 3.279 ( -4.172 -14.246 1.304) 14.901 3.419 ( -3.726 7.127 2.499) 8.422 3.482 ( -5.164 0.815 1.927) 5.572 3.587 ( -1.333 7.252 3.384) 8.113 3.715 ( -2.795 -1.679 -0.162) 3.264 3.812 ( -2.298 -0.260 2.991) 3.781 3.869 ( -3.853 -3.385 1.212) 5.270 3.998 ( 5.441 4.721 -0.280) 7.209 4.173 ( 3.328 -7.525 -1.102) 8.302 4.275 ( 4.540 1.522 -5.220) 7.083 4.319 ( 2.363 -2.495 -5.660) 6.622 4.440 ( 0.042 4.148 -3.969) 5.742 4.518 ( 0.989 5.198 6.225) 8.170 4.575 ( -0.735 -8.340 3.633) 9.126 4.673 ( 1.861 -7.281 -0.229) 7.518 4.816 ( 6.060 3.510 1.801) 7.231 4.885 ( 5.168 -1.643 -1.093) 5.532 5.024 ( 0.092 3.498 6.340) 7.242 5.109 ( -4.619 -4.975 -1.036) 6.867 5.284 ( -2.154 1.121 2.488) 3.477 5.391 ( 5.360 -7.057 -2.253) 9.143 5.777 ( 2.710 5.524 -8.252) 10.294 5.878 ( 3.888 1.673 -3.566) 5.535 5.897 ( 0.288 4.349 -10.573) 11.436 6.024 ( 3.566 8.378 0.270) 9.109 6.054 ( 2.969 2.784 1.571) 4.363 6.194 ( 6.601 -6.872 0.925) 9.574 6.233 ( 2.939 -1.923 -0.102) 3.514 6.306 ( 2.523 -9.807 4.332) 11.014 6.504 ( -3.665 5.105 0.064) 6.285 6.579 ( 6.924 -1.112 -4.472) 8.317 6.681 ( 2.937 -4.461 3.240) 6.247 6.737 ( 9.429 -5.957 -8.017) 13.735 6.875 ( 0.335 4.732 -2.494) 5.360 7.071 ( 4.773 -10.743 9.324) 15.004 7.184 ( 6.002 0.850 1.012) 6.146 7.221 ( 5.335 -3.399 3.444) 7.202 7.371 ( 3.395 0.747 5.954) 6.894 7.409 ( 3.169 -2.462 4.876) 6.315 7.727 ( 13.877 6.252 -1.290) 15.275 7.838 ( 7.222 -2.325 -3.420) 8.322 7.912 ( 7.021 0.104 2.014) 7.305 7.929 ( -3.551 0.470 6.598) 7.508 7.998 ( -0.948 -5.426 -2.616) 6.098 8.053 ( -1.346 -8.356 -4.948) 9.804 8.305 ( 0.027 4.342 3.908) 5.842 8.370 ( -2.369 0.285 0.231) 2.397 8.486 ( -1.537 4.955 -2.624) 5.814 8.535 ( 0.909 -1.911 -7.808) 8.089 8.672 ( 4.614 5.034 -3.136) 7.514 8.763 ( 0.121 -2.047 1.263) 2.409 8.868 ( 3.824 -5.114 0.257) 6.390 8.903 ( 2.116 -1.284 -2.388) 3.439 8.994 ( 1.685 0.345 2.950) 3.415 9.096 ( -3.294 -5.862 -5.017) 8.389 9.297 ( 5.553 -0.711 -0.179) 5.601 9.351 ( 3.734 -3.604 5.661) 7.680 9.486 ( -4.371 4.191 -3.209) 6.853 9.554 ( -3.187 -0.696 0.493) 3.299 9.687 ( -0.764 6.738 2.109) 7.102 9.773 ( -1.306 1.793 5.599) 6.022 9.884 ( 4.741 -1.193 3.951) 6.286 9.892 ( -2.065 -1.270 -1.635) 2.924 9.968 ( 1.613 1.938 -0.705) 2.618 10.067 ( 2.244 4.568 -3.152) 5.987 10.074 ( -2.075 -2.462 1.052) 3.387 10.239 ( -2.701 -8.261 -1.597) 8.837 10.328 ( 4.194 1.430 5.010) 6.688 10.379 ( 3.557 -3.355 3.483) 6.003 10.454 ( -0.868 2.491 0.930) 2.797 10.543 ( 5.613 -5.215 6.954) 10.347 10.610 ( -5.257 -1.176 -4.790) 7.209 10.654 ( 1.166 -3.884 -3.519) 5.369 10.802 ( -5.268 3.391 -0.268) 6.271 10.885 ( -5.892 -4.474 3.052) 8.002 11.006 ( 1.511 6.096 -1.032) 6.365 11.071 ( -5.280 1.022 -4.895) 7.272 11.098 ( -7.522 3.306 -0.020) 8.216 11.233 ( 3.463 -5.254 -1.041) 6.378 11.266 ( -3.191 -1.526 -2.729) 4.467 11.298 ( -3.425 -2.085 -2.303) 4.624 11.375 ( -8.815 -0.695 5.445) 10.384 11.404 ( -8.982 -3.473 0.517) 9.643 11.616 ( 1.799 2.163 -2.027) 3.468 11.688 ( -1.902 -2.250 0.469) 2.983 11.836 ( -4.963 5.774 -4.761) 8.980 11.935 ( -7.824 -4.313 -6.403) 10.992 12.210 ( 2.395 0.983 6.529) 7.024 12.237 ( -0.626 -1.976 4.845) 5.270 12.429 ( -10.455 3.592 5.380) 12.295 12.509 ( 1.580 -0.567 -2.500) 3.011 12.510 ( -8.255 0.469 0.313) 8.274 12.581 ( 4.363 -2.391 -8.784) 10.095 12.957 ( 3.168 2.122 -0.791) 3.894 13.014 ( 0.806 -2.873 -0.115) 2.986 13.149 ( 1.331 1.820 1.316) 2.611 13.185 ( 1.990 -1.510 1.527) 2.928 13.356 ( -3.358 1.950 1.685) 4.234 13.386 ( -1.616 -0.425 0.975) 1.935 13.583 ( 1.534 6.161 -2.087) 6.683 13.659 ( 1.864 -1.700 -0.773) 2.638 13.885 ( 1.641 -1.042 0.350) 1.975 13.951 ( -2.166 -6.505 1.460) 7.010 14.266 ( -3.435 4.240 -0.816) 5.518 14.328 ( -2.953 -1.015 2.020) 3.719 14.370 ( -5.104 3.414 -0.187) 6.143 14.459 ( -2.978 -3.980 2.380) 5.511 14.657 ( 1.253 6.643 -2.032) 7.059 14.770 ( 2.816 -4.043 -2.163) 5.381 14.811 ( 1.189 6.392 -7.305) 9.779 14.878 ( 2.815 -0.748 -3.030) 4.203 15.105 ( 1.353 1.502 2.518) 3.230 15.157 ( 0.818 -1.398 4.695) 4.967 15.287 ( -1.738 2.686 0.089) 3.200 15.398 ( -1.490 -5.273 5.114) 7.495 15.653 ( -2.038 3.098 1.172) 3.889 15.677 ( 1.109 5.520 -0.372) 5.643 15.716 ( -1.132 -1.062 1.449) 2.123 15.775 ( 1.701 -1.708 0.789) 2.537 15.818 ( -0.424 3.181 -1.599) 3.585 15.854 ( -1.518 0.006 -0.425) 1.576 15.943 ( -1.861 4.424 -1.114) 4.927 16.010 ( -2.964 0.526 -1.248) 3.258 16.075 ( 2.967 0.087 3.977) 4.963 16.137 ( 3.983 -4.170 -1.677) 6.006 16.240 ( -3.125 6.901 1.972) 7.827 16.397 ( -2.562 -7.068 3.181) 8.164 16.589 ( -2.112 2.446 -0.242) 3.241 16.594 ( -2.031 7.468 -4.427) 8.916 16.629 ( 1.300 -1.460 -3.100) 3.665 16.748 ( -2.369 -6.354 -2.667) 7.286 16.941 ( 0.440 3.140 0.576) 3.223 16.965 ( -0.655 1.123 0.289) 1.332 17.111 ( 2.963 0.050 0.662) 3.036 17.133 ( 3.080 -1.051 -1.819) 3.728 17.189 ( 1.723 2.756 0.136) 3.253 17.253 ( -1.890 -1.572 0.004) 2.459 17.325 ( 0.465 -0.895 -0.118) 1.015 17.356 ( -1.328 -3.213 -0.075) 3.477 17.541 ( -0.846 4.159 1.786) 4.605 17.617 ( -0.880 -3.126 3.694) 4.918 17.713 ( 2.507 3.151 0.388) 4.045 17.755 ( 0.218 -0.623 -2.065) 2.168 18.400 ( -1.060 0.612 0.320) 1.266 18.421 ( -0.682 -1.109 -0.315) 1.340 18.618 ( -0.174 1.624 0.506) 1.710 18.662 ( 1.016 -2.320 -1.167) 2.789 19.599 ( -1.968 3.246 1.788) 4.196 19.677 ( -2.296 -2.449 2.131) 3.976 19.718 ( -2.473 1.614 -0.954) 3.103 19.814 ( -1.478 -5.750 -3.001) 6.652 21.006 ( -0.758 0.869 1.606) 1.977 21.018 ( -0.810 -0.463 2.675) 2.833 21.229 ( 0.617 0.617 -3.619) 3.723 21.261 ( 1.556 -2.066 -3.426) 4.292 21.471 ( -0.205 1.511 0.061) 1.526 21.529 ( -0.282 -3.635 -0.370) 3.665 21.849 ( 1.974 4.083 3.138) 5.515 21.929 ( 1.768 -2.388 2.231) 3.716 22.002 ( 0.409 -0.034 0.003) 0.410 22.029 ( -1.208 -1.854 -0.176) 2.220 22.296 ( -2.613 1.131 0.130) 2.850 22.331 ( -4.581 -2.073 -0.341) 5.040 22.565 ( 2.387 0.801 -1.748) 3.065 22.579 ( 1.182 -0.733 -0.947) 1.683 22.705 ( 0.742 4.753 0.818) 4.880 22.794 ( 0.464 -3.745 1.028) 3.911 23.216 ( 1.066 7.391 -2.054) 7.745 23.262 ( -1.901 2.432 -1.057) 3.263 23.284 ( -1.403 3.857 1.287) 4.301 23.380 ( 2.466 -4.570 -0.673) 5.237 23.782 ( 3.169 4.629 -0.391) 5.623 23.800 ( 4.271 3.073 3.063) 6.088 24.140 ( 2.667 8.487 0.455) 8.908 24.329 ( 5.030 -8.941 -1.666) 10.393 ======================= Grid point 126 (56/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 21.713 0.000 -32.501) 39.087 1.131 ( -21.713 0.000 32.501) 39.087 1.342 ( 0.095 0.000 -36.213) 36.213 1.342 ( -0.095 0.000 36.213) 36.213 2.240 ( -10.806 0.000 -58.847) 59.831 2.240 ( 10.806 0.000 58.847) 59.831 3.243 ( 13.911 0.000 -19.722) 24.134 3.243 ( -13.911 0.000 19.722) 24.134 3.558 ( -0.301 0.000 -17.316) 17.319 3.558 ( 0.301 0.000 17.316) 17.319 3.660 ( -6.156 0.000 -10.562) 12.226 3.660 ( 6.156 0.000 10.562) 12.226 4.087 ( 3.823 0.000 -2.192) 4.407 4.087 ( -3.823 0.000 2.192) 4.407 4.113 ( 4.946 0.000 -10.347) 11.468 4.113 ( -4.946 0.000 10.347) 11.468 4.389 ( -9.509 0.000 2.675) 9.878 4.389 ( 9.509 0.000 -2.675) 9.878 4.753 ( -6.750 0.000 -2.802) 7.308 4.753 ( 6.750 0.000 2.802) 7.308 4.809 ( -8.693 0.000 -6.241) 10.701 4.809 ( 8.693 0.000 6.241) 10.701 5.246 ( -9.416 0.000 0.851) 9.454 5.246 ( 9.416 0.000 -0.851) 9.454 5.680 ( 1.858 0.000 -3.959) 4.373 5.680 ( -1.858 0.000 3.959) 4.373 5.844 ( -5.231 0.000 -1.701) 5.501 5.844 ( 5.231 0.000 1.701) 5.501 6.012 ( 12.659 0.000 -8.275) 15.124 6.012 ( -12.659 0.000 8.275) 15.124 6.146 ( -3.817 0.000 -1.171) 3.993 6.146 ( 3.817 0.000 1.171) 3.993 6.548 ( -6.393 0.000 1.188) 6.503 6.548 ( 6.393 0.000 -1.188) 6.503 6.866 ( -19.637 0.000 -10.470) 22.254 6.866 ( 19.637 0.000 10.470) 22.254 6.895 ( -3.895 0.000 -6.487) 7.566 6.895 ( 3.895 0.000 6.487) 7.566 7.331 ( -7.449 0.000 -1.850) 7.676 7.331 ( 7.449 0.000 1.850) 7.676 7.509 ( -4.842 0.000 -1.415) 5.044 7.509 ( 4.842 0.000 1.415) 5.044 7.824 ( 8.370 0.000 -3.319) 9.004 7.824 ( -8.370 0.000 3.319) 9.004 7.865 ( -0.922 0.000 -0.673) 1.142 7.865 ( 0.922 0.000 0.673) 1.142 8.058 ( -3.114 0.000 -10.626) 11.073 8.058 ( 3.114 0.000 10.626) 11.073 8.251 ( 0.535 0.000 -4.519) 4.551 8.251 ( -0.535 0.000 4.519) 4.551 8.532 ( 6.739 0.000 -5.770) 8.872 8.532 ( -6.739 0.000 5.770) 8.872 8.563 ( 3.699 0.000 -3.064) 4.803 8.563 ( -3.699 0.000 3.064) 4.803 8.782 ( -1.550 0.000 -0.986) 1.837 8.782 ( 1.550 0.000 0.986) 1.837 8.848 ( -6.178 0.000 -0.592) 6.207 8.848 ( 6.178 0.000 0.592) 6.207 9.132 ( 1.126 0.000 -1.588) 1.947 9.132 ( -1.126 0.000 1.588) 1.947 9.398 ( -7.186 0.000 -5.080) 8.800 9.398 ( 7.186 0.000 5.080) 8.800 9.641 ( -3.099 0.000 -0.769) 3.193 9.641 ( 3.099 0.000 0.769) 3.193 9.729 ( 3.796 0.000 -4.607) 5.970 9.729 ( -3.796 0.000 4.607) 5.970 9.898 ( 2.498 0.000 -5.623) 6.153 9.898 ( -2.498 0.000 5.623) 6.153 10.112 ( 4.433 0.000 -3.714) 5.783 10.112 ( -4.433 0.000 3.714) 5.783 10.251 ( 0.602 0.000 -0.413) 0.730 10.251 ( -0.602 0.000 0.413) 0.730 10.295 ( -2.910 0.000 -0.543) 2.960 10.295 ( 2.910 0.000 0.543) 2.960 10.669 ( 3.459 0.000 -2.920) 4.526 10.669 ( -3.459 0.000 2.920) 4.526 10.777 ( -8.072 0.000 0.271) 8.076 10.777 ( 8.072 0.000 -0.271) 8.076 10.856 ( 2.295 0.000 -9.272) 9.551 10.856 ( -2.295 0.000 9.272) 9.551 10.971 ( -5.951 0.000 -5.571) 8.152 10.971 ( 5.951 0.000 5.571) 8.152 11.129 ( -1.666 0.000 -0.672) 1.797 11.129 ( 1.666 0.000 0.672) 1.797 11.400 ( 4.651 0.000 -5.373) 7.106 11.400 ( -4.651 0.000 5.373) 7.106 11.630 ( -16.284 0.000 0.071) 16.284 11.630 ( 16.284 0.000 -0.071) 16.284 11.799 ( 11.385 0.000 -4.365) 12.193 11.799 ( -11.385 0.000 4.365) 12.193 11.919 ( -7.852 0.000 2.555) 8.257 11.919 ( 7.852 0.000 -2.555) 8.257 12.397 ( 3.604 0.000 -3.915) 5.321 12.397 ( -3.604 0.000 3.915) 5.321 12.435 ( -2.716 0.000 0.161) 2.721 12.435 ( 2.716 0.000 -0.161) 2.721 12.719 ( 1.524 0.000 -2.784) 3.174 12.719 ( -1.524 0.000 2.784) 3.174 12.732 ( -7.853 0.000 -3.927) 8.780 12.732 ( 7.853 0.000 3.927) 8.780 12.918 ( -3.599 0.000 -4.379) 5.669 12.918 ( 3.599 0.000 4.379) 5.669 13.286 ( 0.758 0.000 -4.978) 5.035 13.286 ( -0.758 0.000 4.978) 5.035 13.466 ( 1.438 0.000 -6.248) 6.412 13.466 ( -1.438 0.000 6.248) 6.412 13.816 ( -5.570 0.000 -14.994) 15.996 13.816 ( 5.570 0.000 14.994) 15.996 14.094 ( 0.268 0.000 -0.284) 0.390 14.094 ( -0.268 0.000 0.284) 0.390 14.376 ( 0.270 0.000 -2.249) 2.266 14.376 ( -0.270 0.000 2.249) 2.266 14.475 ( -14.226 0.000 -2.428) 14.432 14.475 ( 14.226 0.000 2.428) 14.432 14.640 ( -1.223 0.000 -1.469) 1.911 14.640 ( 1.223 0.000 1.469) 1.911 15.069 ( 1.905 0.000 -7.171) 7.420 15.069 ( -1.905 0.000 7.171) 7.420 15.281 ( -0.178 0.000 -0.366) 0.407 15.281 ( 0.178 0.000 0.366) 0.407 15.377 ( 3.962 0.000 -6.809) 7.878 15.377 ( -3.962 0.000 6.809) 7.878 15.636 ( -3.685 0.000 0.799) 3.770 15.636 ( 3.685 0.000 -0.799) 3.770 15.663 ( -1.362 0.000 -1.054) 1.722 15.663 ( 1.362 0.000 1.054) 1.722 15.801 ( 1.607 0.000 -2.076) 2.626 15.801 ( -1.607 0.000 2.076) 2.626 16.124 ( 1.391 0.000 -1.141) 1.799 16.124 ( -1.391 0.000 1.141) 1.799 16.254 ( 3.721 0.000 -1.535) 4.025 16.254 ( -3.721 0.000 1.535) 4.025 16.354 ( -2.703 0.000 0.744) 2.804 16.354 ( 2.703 0.000 -0.744) 2.804 16.793 ( -7.526 0.000 -1.176) 7.617 16.793 ( 7.526 0.000 1.176) 7.617 17.012 ( -4.874 0.000 1.493) 5.098 17.012 ( 4.874 0.000 -1.493) 5.098 17.029 ( -1.035 0.000 -0.634) 1.214 17.029 ( 1.035 0.000 0.634) 1.214 17.347 ( 1.128 0.000 -0.935) 1.465 17.347 ( -1.128 0.000 0.935) 1.465 17.380 ( -3.197 0.000 -4.446) 5.476 17.380 ( 3.197 0.000 4.446) 5.476 17.442 ( -0.558 0.000 -0.723) 0.913 17.442 ( 0.558 0.000 0.723) 0.913 17.979 ( -5.631 0.000 -0.040) 5.632 17.979 ( 5.631 0.000 0.040) 5.632 18.354 ( -0.587 0.000 -0.164) 0.610 18.354 ( 0.587 0.000 0.164) 0.610 18.741 ( -3.302 0.000 -0.827) 3.404 18.741 ( 3.302 0.000 0.827) 3.404 19.486 ( -0.379 0.000 -0.847) 0.928 19.486 ( 0.379 0.000 0.847) 0.928 20.206 ( 12.090 0.000 -6.915) 13.928 20.206 ( -12.090 0.000 6.915) 13.928 21.211 ( 2.639 0.000 -5.380) 5.992 21.211 ( -2.639 0.000 5.380) 5.992 21.538 ( -2.608 0.000 -2.970) 3.953 21.538 ( 2.608 0.000 2.970) 3.953 21.740 ( -1.070 0.000 -2.809) 3.005 21.740 ( 1.070 0.000 2.809) 3.005 22.002 ( 0.474 0.000 -1.770) 1.832 22.002 ( -0.474 0.000 1.770) 1.832 22.123 ( -3.897 0.000 -5.695) 6.901 22.123 ( 3.897 0.000 5.695) 6.901 22.276 ( -0.797 0.000 0.057) 0.799 22.276 ( 0.797 0.000 -0.057) 0.799 22.461 ( -2.238 0.000 -0.892) 2.409 22.461 ( 2.238 0.000 0.892) 2.409 22.549 ( -2.107 0.000 0.171) 2.114 22.549 ( 2.107 0.000 -0.171) 2.114 22.886 ( 2.295 0.000 -4.906) 5.416 22.886 ( -2.295 0.000 4.906) 5.416 22.944 ( -0.500 0.000 -2.205) 2.261 22.944 ( 0.500 0.000 2.205) 2.261 23.122 ( 8.363 0.000 -3.412) 9.032 23.122 ( -8.363 0.000 3.412) 9.032 23.911 ( -24.728 0.000 2.477) 24.852 23.911 ( 24.728 0.000 -2.477) 24.852 ======================= Grid point 128 (57/75) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 5.438 0.000 -37.347) 37.741 1.172 ( 18.034 0.000 -21.177) 27.815 1.277 ( 9.169 0.000 16.647) 19.005 1.791 ( 12.763 0.000 33.204) 35.572 1.910 ( 35.284 0.000 -45.292) 57.414 2.991 ( 13.584 0.000 36.858) 39.282 3.130 ( -18.247 0.000 19.604) 26.782 3.159 ( -11.660 0.000 -4.528) 12.508 3.393 ( 3.802 0.000 -21.976) 22.303 3.487 ( 8.601 0.000 -13.487) 15.996 3.714 ( -12.892 0.000 5.981) 14.212 3.723 ( -0.108 0.000 12.809) 12.809 3.898 ( -18.127 0.000 -2.672) 18.323 3.961 ( -14.906 0.000 5.685) 15.953 4.082 ( 0.296 0.000 -10.491) 10.495 4.223 ( 2.374 0.000 9.587) 9.876 4.249 ( -3.369 0.000 16.748) 17.084 4.302 ( -9.246 0.000 0.416) 9.255 4.646 ( -0.032 0.000 -8.599) 8.599 4.663 ( -0.107 0.000 -14.168) 14.168 4.959 ( 9.982 0.000 -2.703) 10.341 4.995 ( -2.593 0.000 -1.625) 3.060 5.190 ( 11.061 0.000 -0.315) 11.065 5.330 ( -6.692 0.000 0.088) 6.693 5.617 ( -6.693 0.000 -5.792) 8.851 5.685 ( 2.660 0.000 -2.980) 3.994 5.695 ( -0.210 0.000 3.132) 3.139 5.911 ( 1.338 0.000 0.418) 1.402 5.911 ( -3.408 0.000 5.038) 6.082 5.992 ( -10.649 0.000 -2.734) 10.994 6.038 ( 0.583 0.000 -6.404) 6.431 6.180 ( -7.457 0.000 8.024) 10.954 6.435 ( -19.124 0.000 -8.022) 20.738 6.554 ( 3.484 0.000 8.803) 9.468 6.741 ( 9.562 0.000 5.094) 10.834 6.782 ( -5.771 0.000 0.052) 5.772 6.929 ( -3.315 0.000 5.757) 6.643 7.085 ( -9.849 0.000 -5.449) 11.256 7.146 ( -16.667 0.000 -1.231) 16.713 7.371 ( 18.913 0.000 9.688) 21.250 7.540 ( 0.371 0.000 -4.154) 4.171 7.553 ( -5.127 0.000 1.109) 5.245 7.675 ( -0.287 0.000 -2.408) 2.425 7.693 ( -5.405 0.000 -3.953) 6.697 7.909 ( -0.926 0.000 -0.307) 0.975 7.917 ( 0.077 0.000 -3.663) 3.664 8.116 ( -3.308 0.000 -0.768) 3.396 8.155 ( -2.557 0.000 4.220) 4.934 8.256 ( 20.178 0.000 -6.928) 21.334 8.275 ( 1.236 0.000 4.061) 4.245 8.490 ( -2.183 0.000 4.127) 4.669 8.582 ( 2.516 0.000 -0.290) 2.533 8.614 ( 4.960 0.000 -6.492) 8.170 8.615 ( 3.510 0.000 -1.057) 3.665 8.649 ( -7.604 0.000 -2.419) 7.980 8.697 ( -6.211 0.000 1.489) 6.386 8.711 ( -2.615 0.000 -9.152) 9.518 8.917 ( -0.028 0.000 1.154) 1.154 9.163 ( -2.639 0.000 0.848) 2.772 9.248 ( 5.249 0.000 4.963) 7.224 9.373 ( -0.028 0.000 -0.483) 0.484 9.468 ( -12.064 0.000 -4.495) 12.874 9.471 ( -3.705 0.000 6.635) 7.599 9.568 ( 6.490 0.000 0.170) 6.492 9.627 ( -10.220 0.000 6.352) 12.033 9.696 ( -1.539 0.000 -3.658) 3.968 9.771 ( -13.716 0.000 5.369) 14.730 9.830 ( -2.274 0.000 -3.789) 4.419 10.105 ( -0.216 0.000 -2.382) 2.392 10.134 ( -4.817 0.000 2.085) 5.249 10.231 ( -2.026 0.000 3.234) 3.816 10.293 ( 6.244 0.000 1.058) 6.333 10.411 ( 5.922 0.000 2.050) 6.266 10.491 ( 6.837 0.000 4.920) 8.423 10.563 ( -10.101 0.000 2.507) 10.408 10.670 ( -3.779 0.000 0.529) 3.816 10.677 ( -2.729 0.000 -3.026) 4.075 10.719 ( -0.040 0.000 -5.287) 5.288 10.734 ( -11.062 0.000 2.127) 11.265 10.814 ( -2.308 0.000 -4.576) 5.125 10.911 ( 3.536 0.000 -8.171) 8.903 11.043 ( -1.784 0.000 -2.273) 2.890 11.093 ( -0.521 0.000 -1.901) 1.971 11.304 ( 1.815 0.000 11.301) 11.446 11.332 ( -1.773 0.000 4.688) 5.012 11.350 ( 7.138 0.000 -1.427) 7.279 11.669 ( 12.181 0.000 2.057) 12.354 11.760 ( -0.174 0.000 -2.035) 2.043 11.859 ( 0.678 0.000 3.497) 3.562 11.910 ( 5.518 0.000 -10.968) 12.278 12.065 ( 18.419 0.000 8.571) 20.316 12.111 ( 12.265 0.000 -1.775) 12.393 12.386 ( 0.429 0.000 1.653) 1.708 12.395 ( 2.340 0.000 8.292) 8.615 12.493 ( 4.131 0.000 0.306) 4.142 12.589 ( 8.799 0.000 0.023) 8.799 12.625 ( 0.664 0.000 -0.998) 1.199 12.678 ( -1.609 0.000 -2.906) 3.321 12.699 ( -2.634 0.000 1.555) 3.059 12.843 ( -1.534 0.000 -2.068) 2.575 12.884 ( 4.351 0.000 -0.052) 4.351 13.050 ( 5.577 0.000 4.957) 7.461 13.142 ( -9.728 0.000 -9.946) 13.913 13.319 ( -0.097 0.000 4.355) 4.356 13.506 ( 5.855 0.000 -2.121) 6.228 13.520 ( 1.524 0.000 4.337) 4.597 13.624 ( -0.471 0.000 -8.172) 8.186 13.995 ( -0.712 0.000 12.769) 12.789 14.036 ( -6.262 0.000 0.637) 6.294 14.069 ( -1.973 0.000 2.999) 3.590 14.302 ( -3.409 0.000 -0.113) 3.410 14.364 ( -0.106 0.000 -0.679) 0.688 14.502 ( 2.651 0.000 4.164) 4.937 14.639 ( 5.424 0.000 -2.983) 6.190 14.690 ( 3.652 0.000 0.316) 3.666 14.980 ( 12.506 0.000 12.583) 17.740 15.024 ( 2.830 0.000 -10.166) 10.553 15.110 ( 5.663 0.000 7.566) 9.451 15.278 ( 0.508 0.000 0.008) 0.508 15.294 ( 1.188 0.000 0.123) 1.194 15.381 ( 4.741 0.000 -10.893) 11.880 15.429 ( 5.031 0.000 7.967) 9.423 15.635 ( -1.051 0.000 0.754) 1.293 15.646 ( 2.994 0.000 2.401) 3.838 15.676 ( 1.910 0.000 -1.443) 2.394 15.722 ( 1.428 0.000 1.090) 1.797 15.804 ( 1.868 0.000 -3.150) 3.662 15.809 ( 1.483 0.000 4.332) 4.579 16.083 ( -4.151 0.000 0.180) 4.155 16.128 ( -0.176 0.000 0.584) 0.610 16.220 ( -2.228 0.000 3.863) 4.460 16.320 ( 5.623 0.000 -3.697) 6.730 16.325 ( -1.621 0.000 1.683) 2.336 16.408 ( 2.326 0.000 4.033) 4.656 16.659 ( -5.271 0.000 -3.013) 6.071 16.916 ( -5.874 0.000 0.476) 5.893 16.920 ( -2.134 0.000 2.987) 3.671 16.980 ( 0.679 0.000 -3.005) 3.081 17.023 ( 2.667 0.000 -9.130) 9.512 17.079 ( 3.376 0.000 2.155) 4.005 17.298 ( -3.031 0.000 -3.088) 4.327 17.356 ( -0.123 0.000 -1.533) 1.538 17.416 ( 9.073 0.000 2.250) 9.348 17.417 ( 0.661 0.000 1.060) 1.249 17.478 ( 1.620 0.000 2.361) 2.863 17.518 ( 4.573 0.000 4.180) 6.196 17.764 ( -10.581 0.000 -8.177) 13.372 17.973 ( -2.683 0.000 -3.875) 4.713 18.345 ( -0.250 0.000 0.036) 0.252 18.366 ( 0.640 0.000 -0.110) 0.649 18.683 ( -0.688 0.000 -2.030) 2.144 18.774 ( 0.088 0.000 -0.582) 0.589 19.476 ( 0.592 0.000 -0.962) 1.130 19.484 ( -1.235 0.000 0.295) 1.270 20.188 ( -1.449 0.000 11.052) 11.147 20.526 ( 20.012 0.000 8.763) 21.847 21.216 ( 3.722 0.000 -7.185) 8.092 21.237 ( 0.325 0.000 5.646) 5.655 21.474 ( -1.715 0.000 -1.651) 2.381 21.601 ( 0.823 0.000 1.389) 1.614 21.709 ( 0.623 0.000 -1.850) 1.952 21.764 ( -0.596 0.000 -1.777) 1.875 21.965 ( -4.530 0.000 -1.787) 4.870 21.998 ( -1.461 0.000 0.301) 1.491 22.025 ( -3.108 0.000 -0.793) 3.208 22.214 ( -5.589 0.000 -0.557) 5.616 22.268 ( 3.354 0.000 4.493) 5.607 22.285 ( -1.265 0.000 1.931) 2.309 22.336 ( -7.949 0.000 -3.821) 8.819 22.454 ( -2.343 0.000 -0.961) 2.532 22.455 ( -4.461 0.000 -5.545) 7.117 22.558 ( -0.466 0.000 0.571) 0.737 22.860 ( -7.842 0.000 7.937) 11.157 22.877 ( -1.730 0.000 -0.878) 1.940 22.915 ( -1.126 0.000 -0.214) 1.146 22.960 ( -0.425 0.000 1.275) 1.344 23.111 ( 4.498 0.000 0.237) 4.504 23.224 ( -5.697 0.000 -15.205) 16.237 23.446 ( -1.853 0.000 6.331) 6.597 24.074 ( 2.760 0.000 -9.402) 9.799 ======================= Grid point 129 (58/75) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 25.994 0.000 -18.448) 31.875 1.455 ( 32.474 0.000 -16.299) 36.335 1.812 ( 29.872 0.000 15.085) 33.465 2.333 ( 20.326 0.000 18.304) 27.353 2.401 ( 43.631 0.000 -14.934) 46.116 2.706 ( -23.624 0.000 -8.646) 25.157 2.971 ( -13.418 0.000 5.527) 14.511 3.171 ( -1.821 0.000 -16.479) 16.579 3.282 ( -7.216 0.000 -4.023) 8.261 3.414 ( -8.549 0.000 -7.699) 11.505 3.487 ( -25.715 0.000 3.250) 25.920 3.710 ( -18.967 0.000 10.506) 21.683 3.733 ( -5.445 0.000 5.746) 7.916 3.897 ( 12.660 0.000 27.899) 30.637 4.084 ( -17.219 0.000 -3.056) 17.488 4.089 ( 7.695 0.000 -6.523) 10.088 4.361 ( 3.365 0.000 7.633) 8.341 4.407 ( -2.509 0.000 16.142) 16.335 4.555 ( 2.379 0.000 -6.527) 6.948 4.591 ( 1.758 0.000 -11.051) 11.190 4.912 ( 4.472 0.000 -7.123) 8.411 4.919 ( -17.170 0.000 7.820) 18.867 5.223 ( 9.757 0.000 -0.056) 9.757 5.294 ( -1.583 0.000 -7.872) 8.030 5.613 ( 2.506 0.000 -1.436) 2.889 5.682 ( -5.162 0.000 0.701) 5.210 5.711 ( -5.534 0.000 -2.725) 6.168 5.759 ( -1.285 0.000 -11.886) 11.955 5.876 ( -4.230 0.000 2.447) 4.887 5.898 ( -1.967 0.000 -5.990) 6.305 5.997 ( -6.613 0.000 -4.859) 8.206 6.077 ( -12.055 0.000 12.431) 17.316 6.169 ( 2.765 0.000 8.599) 9.032 6.624 ( -5.978 0.000 1.806) 6.244 6.634 ( -5.841 0.000 0.114) 5.842 6.910 ( -8.716 0.000 0.832) 8.756 6.911 ( -3.989 0.000 0.419) 4.011 6.922 ( -0.849 0.000 1.554) 1.771 7.035 ( 5.789 0.000 7.872) 9.772 7.328 ( -12.055 0.000 1.317) 12.127 7.393 ( -7.787 0.000 -1.656) 7.961 7.570 ( -5.566 0.000 -1.667) 5.811 7.593 ( -2.864 0.000 -6.231) 6.858 7.788 ( -4.414 0.000 -7.707) 8.882 7.864 ( 16.004 0.000 -2.683) 16.227 7.946 ( 1.064 0.000 1.149) 1.566 8.026 ( 0.729 0.000 0.528) 0.900 8.145 ( -0.093 0.000 1.584) 1.587 8.308 ( 2.849 0.000 0.907) 2.990 8.419 ( -6.230 0.000 -4.427) 7.643 8.551 ( 7.166 0.000 -2.969) 7.756 8.556 ( 0.374 0.000 6.301) 6.312 8.567 ( -1.927 0.000 2.860) 3.449 8.619 ( -2.152 0.000 -0.323) 2.176 8.640 ( 5.482 0.000 -5.658) 7.878 8.714 ( 7.498 0.000 2.761) 7.990 8.800 ( 7.764 0.000 3.741) 8.618 8.851 ( -5.305 0.000 -0.075) 5.305 9.015 ( -8.568 0.000 -5.880) 10.391 9.236 ( -4.890 0.000 3.327) 5.914 9.286 ( -0.534 0.000 2.566) 2.621 9.386 ( 0.003 0.000 -4.110) 4.110 9.535 ( -6.268 0.000 9.825) 11.654 9.614 ( 1.243 0.000 -6.630) 6.746 9.621 ( -6.015 0.000 5.957) 8.465 9.645 ( 0.045 0.000 1.587) 1.587 9.746 ( 9.479 0.000 7.987) 12.396 9.790 ( 3.193 0.000 -6.765) 7.480 10.004 ( -12.677 0.000 6.743) 14.359 10.024 ( -3.807 0.000 -6.217) 7.290 10.215 ( -2.735 0.000 1.793) 3.270 10.343 ( 1.960 0.000 -14.108) 14.243 10.401 ( -7.069 0.000 -0.427) 7.082 10.439 ( -1.948 0.000 5.438) 5.776 10.471 ( -5.663 0.000 -2.089) 6.036 10.565 ( -6.176 0.000 -3.347) 7.025 10.580 ( -9.136 0.000 4.691) 10.270 10.710 ( -2.337 0.000 -3.264) 4.014 10.727 ( 0.511 0.000 5.679) 5.702 10.753 ( 3.761 0.000 -7.188) 8.112 10.882 ( 4.113 0.000 -6.876) 8.012 10.974 ( -0.602 0.000 -1.694) 1.797 11.205 ( 7.416 0.000 6.212) 9.674 11.315 ( -3.418 0.000 3.982) 5.247 11.411 ( 4.812 0.000 -0.442) 4.832 11.549 ( 7.024 0.000 2.698) 7.524 11.717 ( 3.083 0.000 0.228) 3.091 11.827 ( -1.201 0.000 -2.119) 2.436 11.935 ( 3.368 0.000 -2.154) 3.998 11.978 ( 13.360 0.000 -2.506) 13.592 12.210 ( 6.117 0.000 -5.288) 8.086 12.253 ( 1.383 0.000 1.679) 2.175 12.461 ( -3.917 0.000 -5.485) 6.740 12.474 ( -2.615 0.000 1.238) 2.893 12.579 ( 1.155 0.000 4.984) 5.117 12.620 ( -1.932 0.000 0.877) 2.122 12.686 ( 10.796 0.000 12.791) 16.738 12.739 ( 7.768 0.000 -3.280) 8.432 12.762 ( 8.618 0.000 -7.520) 11.438 12.837 ( 1.421 0.000 6.250) 6.409 12.899 ( 0.377 0.000 -3.944) 3.962 13.034 ( 5.160 0.000 4.201) 6.654 13.197 ( 7.306 0.000 1.034) 7.378 13.347 ( 0.131 0.000 0.937) 0.946 13.531 ( 1.806 0.000 -4.251) 4.618 13.584 ( 2.293 0.000 1.345) 2.659 13.653 ( 3.174 0.000 3.176) 4.490 13.924 ( -5.825 0.000 0.827) 5.884 13.997 ( -3.840 0.000 0.069) 3.841 14.097 ( -3.351 0.000 7.149) 7.895 14.315 ( 2.731 0.000 5.900) 6.501 14.340 ( -2.371 0.000 0.554) 2.435 14.481 ( -4.329 0.000 -0.838) 4.410 14.774 ( 4.819 0.000 1.143) 4.952 14.784 ( 7.933 0.000 1.591) 8.090 15.004 ( -1.536 0.000 -7.023) 7.189 15.019 ( 7.939 0.000 -10.168) 12.901 15.195 ( -2.275 0.000 3.943) 4.552 15.289 ( -0.145 0.000 -1.950) 1.955 15.305 ( 1.443 0.000 -8.923) 9.039 15.359 ( 1.999 0.000 -1.217) 2.341 15.612 ( 2.436 0.000 4.376) 5.008 15.619 ( -2.062 0.000 2.650) 3.358 15.680 ( -0.261 0.000 -3.019) 3.030 15.693 ( -1.724 0.000 5.035) 5.322 15.710 ( 0.266 0.000 -0.698) 0.747 15.814 ( 2.459 0.000 -4.716) 5.319 15.904 ( -1.429 0.000 -1.593) 2.140 16.006 ( -2.916 0.000 2.688) 3.966 16.134 ( -0.854 0.000 2.492) 2.634 16.270 ( -0.955 0.000 5.932) 6.009 16.342 ( 3.206 0.000 -8.376) 8.969 16.378 ( 4.796 0.000 9.004) 10.202 16.521 ( 4.084 0.000 3.852) 5.614 16.566 ( -2.520 0.000 -0.027) 2.520 16.745 ( -6.634 0.000 -2.492) 7.087 16.839 ( -3.754 0.000 2.581) 4.555 16.923 ( -5.774 0.000 -3.990) 7.018 17.122 ( 9.428 0.000 -0.320) 9.433 17.180 ( 4.268 0.000 2.953) 5.190 17.220 ( 1.428 0.000 -8.824) 8.938 17.317 ( -2.264 0.000 0.390) 2.297 17.453 ( 0.486 0.000 1.983) 2.042 17.502 ( 0.224 0.000 -1.013) 1.037 17.593 ( -0.382 0.000 2.449) 2.479 17.613 ( 1.919 0.000 3.169) 3.705 17.657 ( 5.247 0.000 4.178) 6.707 17.862 ( -2.954 0.000 -7.028) 7.623 18.346 ( 0.107 0.000 0.515) 0.526 18.372 ( 0.383 0.000 -0.640) 0.746 18.678 ( 0.964 0.000 -0.653) 1.164 18.749 ( -1.884 0.000 -0.349) 1.916 19.463 ( -1.192 0.000 0.715) 1.390 19.482 ( 1.032 0.000 -1.649) 1.946 20.314 ( 2.496 0.000 13.898) 14.120 20.879 ( 6.507 0.000 9.948) 11.887 21.194 ( 3.029 0.000 -10.766) 11.184 21.292 ( -6.733 0.000 -8.692) 10.995 21.407 ( -4.559 0.000 -5.610) 7.229 21.461 ( 0.223 0.000 1.725) 1.740 21.699 ( 1.178 0.000 -3.329) 3.531 21.739 ( 3.411 0.000 0.711) 3.484 21.907 ( 2.030 0.000 0.152) 2.036 21.957 ( -2.420 0.000 0.400) 2.453 22.000 ( -1.280 0.000 1.277) 1.808 22.093 ( -0.268 0.000 -5.604) 5.611 22.186 ( -7.313 0.000 -4.138) 8.402 22.226 ( -9.182 0.000 3.637) 9.876 22.352 ( -0.052 0.000 -1.132) 1.133 22.401 ( -0.635 0.000 -2.687) 2.761 22.432 ( 4.065 0.000 6.287) 7.487 22.556 ( -0.641 0.000 1.595) 1.719 22.786 ( -5.861 0.000 4.126) 7.168 22.794 ( -1.907 0.000 -5.583) 5.900 22.908 ( -0.527 0.000 2.048) 2.115 22.959 ( -0.087 0.000 -0.520) 0.528 23.062 ( 0.620 0.000 -2.746) 2.815 23.214 ( 6.215 0.000 -2.034) 6.539 23.674 ( 2.184 0.000 17.105) 17.244 23.944 ( -5.291 0.000 -9.203) 10.615 ======================= Grid point 130 (59/75) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 32.834 0.000 -0.453) 32.837 1.960 ( 33.390 0.000 -5.365) 33.818 2.125 ( -25.860 0.000 -5.677) 26.476 2.490 ( -25.475 0.000 3.943) 25.778 2.542 ( 29.686 0.000 7.687) 30.665 2.900 ( 5.775 0.000 3.726) 6.873 2.986 ( 3.099 0.000 -17.926) 18.192 3.005 ( 5.719 0.000 8.058) 9.881 3.090 ( -1.023 0.000 4.056) 4.183 3.230 ( 9.300 0.000 2.421) 9.610 3.401 ( 11.978 0.000 -14.319) 18.669 3.434 ( -19.301 0.000 0.915) 19.322 3.531 ( -14.475 0.000 -0.092) 14.476 3.689 ( -23.898 0.000 -0.225) 23.899 4.178 ( 7.928 0.000 -11.529) 13.992 4.227 ( -6.068 0.000 16.317) 17.409 4.310 ( -2.836 0.000 11.402) 11.749 4.480 ( 1.781 0.000 4.157) 4.522 4.547 ( 0.890 0.000 -1.153) 1.457 4.656 ( 3.448 0.000 -2.676) 4.365 4.790 ( -9.853 0.000 15.820) 18.638 4.940 ( -10.218 0.000 -16.171) 19.128 5.103 ( 14.726 0.000 -5.089) 15.581 5.341 ( -8.134 0.000 0.645) 8.159 5.595 ( -1.094 0.000 5.081) 5.197 5.615 ( -3.255 0.000 7.718) 8.376 5.647 ( 6.646 0.000 -4.928) 8.274 5.672 ( 3.824 0.000 -12.758) 13.319 5.833 ( -3.290 0.000 6.718) 7.480 5.883 ( -0.624 0.000 -5.314) 5.350 5.917 ( 1.209 0.000 1.518) 1.940 5.966 ( -6.353 0.000 0.481) 6.372 6.417 ( 10.955 0.000 8.753) 14.023 6.496 ( -2.871 0.000 -2.709) 3.948 6.594 ( -2.403 0.000 -0.366) 2.430 6.766 ( -6.506 0.000 0.519) 6.527 6.775 ( -12.620 0.000 -5.598) 13.806 6.796 ( -5.013 0.000 -2.604) 5.649 7.153 ( 0.719 0.000 5.441) 5.488 7.200 ( -3.352 0.000 0.779) 3.442 7.380 ( 3.455 0.000 6.779) 7.609 7.479 ( -3.014 0.000 3.356) 4.510 7.518 ( 0.759 0.000 -7.797) 7.834 7.576 ( -7.569 0.000 -10.294) 12.777 7.934 ( 0.856 0.000 0.923) 1.259 7.988 ( 1.024 0.000 -5.282) 5.380 8.112 ( 1.287 0.000 6.199) 6.331 8.161 ( 1.491 0.000 -2.277) 2.722 8.402 ( 6.283 0.000 1.482) 6.455 8.444 ( 4.717 0.000 2.969) 5.574 8.502 ( -4.151 0.000 2.344) 4.767 8.513 ( -2.715 0.000 -2.845) 3.933 8.594 ( -2.274 0.000 3.184) 3.913 8.631 ( -2.999 0.000 1.786) 3.490 8.750 ( 7.479 0.000 2.984) 8.052 8.821 ( 3.052 0.000 -8.983) 9.487 8.838 ( 1.785 0.000 1.468) 2.311 8.871 ( 2.640 0.000 2.748) 3.811 9.004 ( 2.893 0.000 8.538) 9.015 9.174 ( -5.880 0.000 -1.265) 6.015 9.276 ( -2.214 0.000 -7.396) 7.720 9.283 ( -3.254 0.000 1.671) 3.658 9.586 ( 3.472 0.000 4.725) 5.863 9.596 ( 6.966 0.000 -7.770) 10.435 9.669 ( 2.024 0.000 7.679) 7.941 9.697 ( -1.991 0.000 4.411) 4.840 9.762 ( 2.355 0.000 -10.565) 10.824 9.770 ( -10.618 0.000 3.709) 11.247 9.916 ( -1.768 0.000 6.003) 6.257 9.955 ( 1.753 0.000 -4.924) 5.227 10.146 ( -5.212 0.000 1.759) 5.500 10.191 ( -4.253 0.000 -9.101) 10.046 10.341 ( -2.706 0.000 3.866) 4.719 10.378 ( -3.671 0.000 -3.290) 4.930 10.427 ( 4.904 0.000 -2.771) 5.633 10.502 ( -2.639 0.000 2.067) 3.352 10.514 ( -1.900 0.000 4.579) 4.958 10.583 ( -3.858 0.000 -7.213) 8.180 10.741 ( -3.722 0.000 6.601) 7.578 10.750 ( 2.684 0.000 -7.334) 7.810 10.937 ( 5.307 0.000 -2.449) 5.845 10.979 ( -0.911 0.000 1.419) 1.686 11.273 ( -0.097 0.000 -2.736) 2.738 11.276 ( -2.942 0.000 1.754) 3.425 11.496 ( 4.560 0.000 4.942) 6.724 11.601 ( -1.578 0.000 -2.839) 3.248 11.810 ( 1.440 0.000 1.261) 1.914 11.855 ( 2.271 0.000 -4.759) 5.273 12.030 ( 9.646 0.000 9.770) 13.729 12.100 ( 4.907 0.000 -2.936) 5.718 12.263 ( -2.524 0.000 -2.515) 3.564 12.310 ( 2.501 0.000 -1.290) 2.814 12.338 ( 2.901 0.000 -1.560) 3.294 12.400 ( -4.477 0.000 0.819) 4.552 12.543 ( -3.070 0.000 -2.812) 4.164 12.585 ( -4.223 0.000 -0.265) 4.232 12.788 ( 2.602 0.000 -2.441) 3.568 12.816 ( -0.711 0.000 -0.678) 0.982 12.912 ( 6.935 0.000 -4.517) 8.276 12.923 ( 0.479 0.000 8.918) 8.931 13.040 ( 9.982 0.000 9.864) 14.034 13.200 ( 2.282 0.000 1.755) 2.879 13.275 ( 3.008 0.000 -3.284) 4.454 13.332 ( -1.204 0.000 -2.145) 2.460 13.543 ( 1.250 0.000 4.000) 4.191 13.605 ( -0.276 0.000 -2.143) 2.161 13.784 ( 6.634 0.000 5.181) 8.417 13.888 ( 1.805 0.000 2.650) 3.206 13.893 ( -4.237 0.000 -3.644) 5.589 14.052 ( -8.449 0.000 1.375) 8.560 14.302 ( -3.125 0.000 2.344) 3.906 14.307 ( -0.356 0.000 -7.428) 7.436 14.568 ( 5.927 0.000 15.154) 16.272 14.803 ( -3.457 0.000 -11.414) 11.926 14.905 ( 3.160 0.000 3.400) 4.642 14.912 ( 2.462 0.000 -1.072) 2.685 15.095 ( 9.673 0.000 -14.036) 17.046 15.138 ( -5.931 0.000 1.603) 6.144 15.230 ( -0.437 0.000 0.589) 0.733 15.285 ( -1.210 0.000 0.856) 1.482 15.414 ( 3.297 0.000 -0.027) 3.297 15.509 ( -7.689 0.000 -2.779) 8.176 15.627 ( 0.298 0.000 0.582) 0.654 15.645 ( -0.759 0.000 -1.306) 1.510 15.717 ( -2.140 0.000 4.615) 5.087 15.718 ( 2.096 0.000 -3.800) 4.340 15.816 ( 3.205 0.000 -4.114) 5.215 15.854 ( -3.816 0.000 2.866) 4.773 16.041 ( 4.461 0.000 1.570) 4.729 16.124 ( -3.151 0.000 1.265) 3.396 16.280 ( -2.047 0.000 4.666) 5.095 16.303 ( 1.551 0.000 -7.644) 7.800 16.503 ( 0.430 0.000 4.317) 4.339 16.524 ( 2.162 0.000 -5.684) 6.082 16.632 ( 1.128 0.000 7.706) 7.788 16.714 ( 0.270 0.000 -1.653) 1.675 16.797 ( -4.002 0.000 2.845) 4.910 16.823 ( -0.990 0.000 0.357) 1.053 17.186 ( 3.583 0.000 -8.229) 8.975 17.202 ( -3.964 0.000 3.639) 5.380 17.288 ( 8.639 0.000 0.920) 8.688 17.362 ( 3.645 0.000 4.146) 5.520 17.428 ( -5.682 0.000 1.668) 5.921 17.460 ( -1.905 0.000 -3.971) 4.405 17.618 ( 0.722 0.000 2.149) 2.267 17.638 ( -0.087 0.000 -0.345) 0.356 17.752 ( -0.761 0.000 6.184) 6.231 17.781 ( 1.583 0.000 -7.308) 7.477 18.357 ( 0.197 0.000 0.966) 0.986 18.368 ( 0.044 0.000 -1.007) 1.008 18.693 ( 1.022 0.000 -0.141) 1.032 18.715 ( -1.596 0.000 -0.032) 1.596 19.461 ( -0.381 0.000 1.806) 1.846 19.476 ( 0.298 0.000 -2.202) 2.222 20.527 ( 4.444 0.000 19.197) 19.705 20.817 ( -4.972 0.000 -24.049) 24.557 21.087 ( -4.528 0.000 11.479) 12.340 21.139 ( 2.953 0.000 -12.262) 12.613 21.496 ( 0.693 0.000 2.645) 2.735 21.497 ( 2.725 0.000 1.586) 3.153 21.740 ( 5.981 0.000 1.063) 6.075 21.840 ( 5.557 0.000 3.399) 6.514 21.889 ( -5.874 0.000 -2.166) 6.260 21.958 ( 1.500 0.000 -2.032) 2.526 22.006 ( 0.373 0.000 2.176) 2.208 22.017 ( -4.194 0.000 -4.285) 5.996 22.049 ( -0.271 0.000 -4.335) 4.343 22.073 ( -9.432 0.000 4.200) 10.325 22.351 ( 0.270 0.000 1.100) 1.132 22.374 ( -0.131 0.000 -2.591) 2.594 22.545 ( 2.014 0.000 3.416) 3.965 22.565 ( -0.036 0.000 1.054) 1.055 22.738 ( 0.548 0.000 -4.019) 4.056 22.739 ( -2.743 0.000 2.502) 3.713 22.930 ( 0.013 0.000 2.760) 2.760 22.949 ( 0.029 0.000 -1.538) 1.538 23.116 ( 4.007 0.000 4.653) 6.141 23.233 ( -0.661 0.000 -6.589) 6.622 23.775 ( -4.308 0.000 11.446) 12.230 23.804 ( 0.009 0.000 -7.965) 7.966 ======================= Grid point 134 (60/75) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 11.537 11.028 -27.036) 31.395 1.216 ( -11.537 11.028 27.036) 31.395 1.520 ( 2.362 17.792 -30.223) 35.151 1.520 ( -2.362 17.792 30.223) 35.151 2.608 ( -5.855 28.187 -49.315) 57.103 2.608 ( 5.855 28.187 49.315) 57.103 3.213 ( 13.339 -2.936 -20.656) 24.764 3.213 ( -13.339 -2.936 20.656) 24.764 3.570 ( 1.563 1.724 -19.465) 19.603 3.570 ( -1.563 1.724 19.465) 19.603 3.681 ( -5.798 2.028 -10.936) 12.543 3.681 ( 5.798 2.028 10.936) 12.543 3.987 ( -5.944 -6.183 -4.706) 9.783 3.987 ( 5.944 -6.183 4.706) 9.783 4.197 ( 1.671 6.118 -4.748) 7.922 4.197 ( -1.671 6.118 4.748) 7.922 4.421 ( -2.957 2.926 -2.890) 5.065 4.421 ( 2.957 2.926 2.890) 5.065 4.713 ( -5.937 -2.219 -4.211) 7.610 4.713 ( 5.937 -2.219 4.211) 7.610 4.878 ( -9.943 4.673 -6.705) 12.871 4.878 ( 9.943 4.673 6.705) 12.871 5.284 ( -0.185 2.291 -2.018) 3.059 5.284 ( 0.185 2.291 2.018) 3.059 5.584 ( -3.628 -8.818 -2.488) 9.854 5.584 ( 3.628 -8.818 2.488) 9.854 5.846 ( 3.837 -6.232 -6.726) 9.940 5.846 ( -3.837 -6.232 6.726) 9.940 5.991 ( -4.740 -4.846 -10.569) 12.556 5.991 ( 4.740 -4.846 10.569) 12.556 6.066 ( -0.716 0.706 -1.759) 2.026 6.066 ( 0.716 0.706 1.759) 2.026 6.512 ( -8.968 -0.915 -0.706) 9.042 6.512 ( 8.968 -0.915 0.706) 9.042 6.827 ( -15.373 -2.807 -8.037) 17.573 6.827 ( 15.373 -2.807 8.037) 17.573 6.949 ( 6.017 3.566 -4.802) 8.484 6.949 ( -6.017 3.566 4.802) 8.484 7.360 ( -10.924 -1.656 -3.014) 11.453 7.360 ( 10.924 -1.656 3.014) 11.453 7.463 ( -5.625 -3.638 -1.960) 6.979 7.463 ( 5.625 -3.638 1.960) 6.979 7.710 ( -6.298 -6.986 -6.456) 11.408 7.710 ( 6.298 -6.986 6.456) 11.408 7.908 ( -10.128 3.529 -1.858) 10.884 7.908 ( 10.128 3.529 1.858) 10.884 8.020 ( -6.352 -4.768 -6.854) 10.491 8.020 ( 6.352 -4.768 6.854) 10.491 8.227 ( -0.145 -1.611 -7.543) 7.715 8.227 ( 0.145 -1.611 7.543) 7.715 8.391 ( -1.614 -2.859 -0.031) 3.283 8.391 ( 1.614 -2.859 0.031) 3.283 8.578 ( 1.250 -2.963 -4.470) 5.507 8.578 ( -1.250 -2.963 4.470) 5.507 8.748 ( -1.038 -3.082 -7.092) 7.802 8.748 ( 1.038 -3.082 7.092) 7.802 8.992 ( -5.996 4.663 -1.545) 7.751 8.992 ( 5.996 4.663 1.545) 7.751 9.125 ( -8.154 0.911 0.665) 8.232 9.125 ( 8.154 0.911 -0.665) 8.232 9.402 ( -3.217 2.416 -4.278) 5.872 9.402 ( 3.217 2.416 4.278) 5.872 9.653 ( -1.386 -4.164 -3.019) 5.327 9.653 ( 1.386 -4.164 3.019) 5.327 9.683 ( 4.132 -3.368 -7.251) 9.000 9.683 ( -4.132 -3.368 7.251) 9.000 9.882 ( 0.949 3.570 -9.313) 10.019 9.882 ( -0.949 3.570 9.313) 10.019 10.122 ( 1.567 -0.505 -5.079) 5.339 10.122 ( -1.567 -0.505 5.079) 5.339 10.175 ( -6.884 -0.148 -5.425) 8.766 10.175 ( 6.884 -0.148 5.425) 8.766 10.412 ( -3.721 4.782 -2.240) 6.460 10.412 ( 3.721 4.782 2.240) 6.460 10.590 ( 0.630 -4.056 -4.253) 5.911 10.590 ( -0.630 -4.056 4.253) 5.911 10.775 ( 4.415 -2.839 -3.954) 6.571 10.775 ( -4.415 -2.839 3.954) 6.571 10.936 ( 0.643 2.806 -7.974) 8.478 10.936 ( -0.643 2.806 7.974) 8.478 10.996 ( -4.366 2.361 -5.915) 7.721 10.996 ( 4.366 2.361 5.915) 7.721 11.083 ( -1.720 -3.011 -3.155) 4.688 11.083 ( 1.720 -3.011 3.155) 4.688 11.360 ( -3.045 -2.161 -6.973) 7.910 11.360 ( 3.045 -2.161 6.973) 7.910 11.543 ( 13.200 -7.614 -5.646) 16.251 11.543 ( -13.200 -7.614 5.646) 16.251 11.683 ( -5.491 -3.173 -2.948) 6.993 11.683 ( 5.491 -3.173 2.948) 6.993 12.003 ( -2.750 -0.589 -5.375) 6.067 12.003 ( 2.750 -0.589 5.375) 6.067 12.274 ( 0.394 -6.995 -3.466) 7.817 12.274 ( -0.394 -6.995 3.466) 7.817 12.441 ( -0.598 0.225 -1.822) 1.930 12.441 ( 0.598 0.225 1.822) 1.930 12.668 ( 3.255 -2.909 -3.321) 5.485 12.668 ( -3.255 -2.909 3.321) 5.485 12.869 ( -2.893 8.884 -3.408) 9.946 12.869 ( 2.893 8.884 3.408) 9.946 13.012 ( -3.671 6.452 -3.139) 8.059 13.012 ( 3.671 6.452 3.139) 8.059 13.344 ( -8.942 4.810 -9.904) 14.185 13.344 ( 8.942 4.810 9.904) 14.185 13.485 ( -0.134 0.647 -5.553) 5.593 13.485 ( 0.134 0.647 5.553) 5.593 13.847 ( -3.150 2.914 -10.052) 10.930 13.847 ( 3.150 2.914 10.052) 10.930 14.092 ( -1.800 0.433 -0.480) 1.913 14.092 ( 1.800 0.433 0.480) 1.913 14.333 ( -10.780 -2.796 0.779) 11.164 14.333 ( 10.780 -2.796 -0.779) 11.164 14.505 ( -5.634 -0.810 -2.184) 6.096 14.505 ( 5.634 -0.810 2.184) 6.096 14.673 ( -0.785 6.480 -2.249) 6.904 14.673 ( 0.785 6.480 2.249) 6.904 15.072 ( 1.560 -0.078 -4.867) 5.112 15.072 ( -1.560 -0.078 4.867) 5.112 15.307 ( -3.067 1.209 -1.951) 3.831 15.307 ( 3.067 1.209 1.951) 3.831 15.417 ( 2.974 4.819 -3.442) 6.627 15.417 ( -2.974 4.819 3.442) 6.627 15.657 ( 0.208 2.238 -1.367) 2.631 15.657 ( -0.208 2.238 1.367) 2.631 15.713 ( -1.343 3.285 -3.018) 4.659 15.713 ( 1.343 3.285 3.018) 4.659 15.817 ( 0.912 1.052 -2.184) 2.590 15.817 ( -0.912 1.052 2.184) 2.590 16.124 ( -1.265 -0.110 -1.771) 2.180 16.124 ( 1.265 -0.110 1.771) 2.180 16.260 ( 2.633 -0.019 -2.180) 3.418 16.260 ( -2.633 -0.019 2.180) 3.418 16.370 ( 0.064 1.661 -2.801) 3.257 16.370 ( -0.064 1.661 2.801) 3.257 16.826 ( -5.506 2.169 -2.323) 6.357 16.826 ( 5.506 2.169 2.323) 6.357 16.940 ( -1.635 -4.832 -8.561) 9.965 16.940 ( 1.635 -4.832 8.561) 9.965 17.021 ( -1.257 -0.203 -2.237) 2.575 17.021 ( 1.257 -0.203 2.237) 2.575 17.290 ( 0.645 -3.259 -3.905) 5.128 17.290 ( -0.645 -3.259 3.905) 5.128 17.415 ( -0.032 0.780 -2.975) 3.076 17.415 ( 0.032 0.780 2.975) 3.076 17.456 ( 0.189 2.154 -2.327) 3.176 17.456 ( -0.189 2.154 2.327) 3.176 17.886 ( -4.518 -6.497 -3.299) 8.574 17.886 ( 4.518 -6.497 3.299) 8.574 18.384 ( -0.785 2.082 0.086) 2.227 18.384 ( 0.785 2.082 -0.086) 2.227 18.720 ( -0.681 -1.535 -3.418) 3.809 18.720 ( 0.681 -1.535 3.418) 3.809 19.510 ( -1.078 1.698 -0.805) 2.166 19.510 ( 1.078 1.698 0.805) 2.166 20.134 ( 10.371 -6.260 -6.956) 13.969 20.134 ( -10.371 -6.260 6.956) 13.969 21.208 ( 2.133 -0.311 -5.758) 6.148 21.208 ( -2.133 -0.311 5.758) 6.148 21.374 ( -1.146 -13.414 -6.747) 15.058 21.374 ( 1.146 -13.414 6.747) 15.058 21.641 ( -1.167 -3.985 -4.820) 6.362 21.641 ( 1.167 -3.985 4.820) 6.362 21.996 ( 0.512 -0.619 -3.342) 3.437 21.996 ( -0.512 -0.619 3.342) 3.437 22.082 ( -2.865 -3.126 -4.992) 6.549 22.082 ( 2.865 -3.126 4.992) 6.549 22.276 ( -1.683 1.365 -2.158) 3.058 22.276 ( 1.683 1.365 2.158) 3.058 22.479 ( -4.925 1.017 -0.848) 5.099 22.479 ( 4.925 1.017 0.848) 5.099 22.610 ( -1.913 6.246 -0.084) 6.533 22.610 ( 1.913 6.246 0.084) 6.533 22.821 ( -3.246 0.240 -2.485) 4.096 22.821 ( 3.246 0.240 2.485) 4.096 23.070 ( 1.005 9.376 -1.300) 9.519 23.070 ( -1.005 9.376 1.300) 9.519 23.218 ( 1.297 3.215 -7.969) 8.690 23.218 ( -1.297 3.215 7.969) 8.690 24.151 ( 12.029 14.631 -17.454) 25.756 24.151 ( -12.029 14.631 17.454) 25.756 ======================= Grid point 136 (61/75) ======================= q-point: ( 0.14 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 15.661 14.095 -24.506) 32.318 1.362 ( 9.894 20.096 -21.930) 31.348 1.427 ( 12.346 13.700 14.184) 23.266 1.862 ( 8.846 9.028 30.167) 32.708 2.350 ( 24.949 32.311 -37.788) 55.628 3.079 ( -11.589 -2.718 4.403) 12.692 3.154 ( -1.512 6.419 10.824) 12.675 3.261 ( 1.118 11.481 21.913) 24.764 3.413 ( 0.387 3.617 -19.299) 19.639 3.513 ( 3.192 1.665 -3.537) 5.047 3.688 ( -4.626 -2.924 4.075) 6.823 3.755 ( -12.211 1.573 1.722) 12.432 3.790 ( -5.660 -0.787 9.887) 11.420 4.020 ( -7.824 -1.209 0.660) 7.944 4.095 ( -4.897 5.061 -1.451) 7.190 4.237 ( -2.722 0.465 7.476) 7.970 4.298 ( -1.474 5.176 6.836) 8.701 4.385 ( -6.414 6.627 3.771) 9.963 4.642 ( -1.530 -0.008 -6.256) 6.440 4.697 ( 1.078 0.323 -10.880) 10.938 4.922 ( 10.766 -2.617 -3.591) 11.647 5.024 ( -4.453 3.058 -0.113) 5.403 5.225 ( 2.227 1.458 -1.830) 3.230 5.329 ( -1.644 1.524 0.694) 2.347 5.516 ( -0.494 -14.526 -1.021) 14.570 5.640 ( 0.917 1.297 -1.389) 2.110 5.720 ( -2.280 -0.954 -2.825) 3.754 5.764 ( -6.915 -8.485 1.274) 11.020 5.850 ( -2.982 -6.432 -4.020) 8.150 6.039 ( 0.415 2.671 0.312) 2.721 6.110 ( -5.746 5.715 4.458) 9.249 6.205 ( -3.289 1.800 4.943) 6.204 6.391 ( -9.572 -5.260 -2.438) 11.191 6.505 ( 4.331 -7.126 7.030) 10.906 6.655 ( 3.106 -3.128 4.738) 6.471 6.808 ( -8.197 4.322 -0.150) 9.268 6.902 ( -2.561 -1.661 -2.578) 3.995 7.061 ( -17.169 -2.956 -0.164) 17.422 7.201 ( -9.452 0.024 -2.414) 9.755 7.370 ( 13.484 -3.615 2.703) 14.219 7.448 ( -3.814 -5.840 3.101) 7.633 7.549 ( 7.235 -4.559 -8.981) 12.401 7.618 ( -4.624 0.348 1.464) 4.863 7.715 ( -6.072 0.369 1.269) 6.214 7.820 ( 1.189 -5.420 -0.968) 5.633 7.935 ( -1.339 -1.888 0.664) 2.408 8.038 ( -0.955 -3.404 -5.018) 6.138 8.149 ( -1.359 -4.167 3.699) 5.735 8.175 ( 1.259 -1.093 -2.192) 2.754 8.261 ( 9.055 -2.037 -2.733) 9.675 8.308 ( -2.229 -8.825 -0.733) 9.131 8.469 ( 2.626 -0.757 -4.583) 5.336 8.574 ( 2.451 -4.149 0.237) 4.825 8.642 ( 1.453 -1.517 -5.767) 6.138 8.658 ( 2.437 -1.305 2.128) 3.489 8.760 ( -6.893 -2.618 3.021) 7.969 8.831 ( -4.222 3.507 -3.921) 6.745 9.009 ( -2.947 2.850 5.479) 6.843 9.120 ( 1.286 6.146 1.642) 6.491 9.182 ( -6.580 0.181 5.323) 8.465 9.348 ( -5.434 -0.987 0.351) 5.534 9.454 ( -5.594 -7.416 3.245) 9.840 9.533 ( -5.811 1.250 1.631) 6.164 9.595 ( 1.478 3.442 3.998) 5.478 9.689 ( 1.464 -1.521 -5.942) 6.306 9.699 ( -0.823 -2.026 -3.744) 4.335 9.759 ( -0.163 5.082 -6.055) 7.907 9.821 ( -9.945 4.152 3.760) 11.414 10.060 ( -3.382 -0.528 -6.084) 6.980 10.160 ( 3.066 -7.906 -2.729) 8.908 10.186 ( -0.649 -6.716 7.236) 9.894 10.284 ( -3.836 -0.497 1.298) 4.080 10.351 ( 1.223 7.207 4.251) 8.456 10.427 ( -2.030 -4.078 2.766) 5.329 10.581 ( 0.882 0.165 2.558) 2.711 10.637 ( 2.227 1.453 0.736) 2.759 10.716 ( -1.442 0.768 -8.586) 8.740 10.768 ( -0.754 3.075 2.292) 3.908 10.836 ( -7.197 0.683 3.409) 7.993 10.861 ( -3.672 1.660 -5.280) 6.642 10.903 ( -1.035 2.078 -1.595) 2.817 11.035 ( -5.084 0.005 -1.094) 5.201 11.124 ( 6.033 -1.001 -4.392) 7.529 11.170 ( -6.270 -2.121 -1.243) 6.735 11.310 ( 11.140 0.815 7.688) 13.559 11.428 ( 4.090 -0.273 5.123) 6.561 11.589 ( 7.158 -4.333 7.775) 11.422 11.684 ( 5.170 -5.950 -3.886) 8.788 11.755 ( 12.855 -8.077 -7.115) 16.767 11.887 ( 1.055 -7.484 -1.218) 7.655 11.980 ( 12.168 -3.230 2.174) 12.775 12.139 ( 5.614 0.907 -1.257) 5.824 12.262 ( 3.957 -6.455 2.358) 7.930 12.345 ( 3.929 -5.426 3.045) 7.359 12.490 ( 6.354 -0.418 0.642) 6.400 12.569 ( 7.166 -3.361 0.540) 7.934 12.636 ( -3.263 -3.526 4.405) 6.518 12.688 ( 2.047 -0.495 -4.105) 4.614 12.793 ( -0.062 10.672 0.912) 10.711 12.925 ( -0.588 6.775 1.025) 6.877 12.935 ( -1.666 3.992 -2.056) 4.790 13.062 ( -3.474 3.532 -3.990) 6.361 13.130 ( -1.214 3.691 -1.936) 4.341 13.429 ( -0.537 2.623 -2.138) 3.426 13.501 ( 1.610 -1.127 3.591) 4.094 13.610 ( 4.361 5.815 6.314) 9.628 13.703 ( -2.272 7.752 -7.891) 11.293 13.963 ( -0.782 -1.867 9.165) 9.386 14.012 ( -5.721 -0.401 2.527) 6.267 14.103 ( -2.914 3.372 1.998) 4.884 14.253 ( -1.022 -2.325 2.129) 3.314 14.428 ( -1.449 2.492 -1.156) 3.105 14.559 ( 8.412 2.389 4.041) 9.634 14.618 ( 2.794 -1.366 -2.921) 4.267 14.669 ( 4.360 -0.469 0.151) 4.387 14.926 ( 12.921 -1.384 3.573) 13.477 15.014 ( -1.002 0.648 2.187) 2.491 15.165 ( 4.643 -1.664 1.715) 5.222 15.259 ( 1.707 4.119 1.210) 4.620 15.364 ( 0.777 -1.543 -0.036) 1.728 15.409 ( 2.776 6.416 0.439) 7.004 15.433 ( 4.629 2.690 -5.693) 7.814 15.636 ( 0.859 0.832 -0.114) 1.202 15.657 ( -1.991 1.051 -0.658) 2.346 15.703 ( 2.309 4.094 -0.737) 4.757 15.758 ( 1.742 -0.199 -1.964) 2.633 15.835 ( 1.496 1.393 3.707) 4.233 15.858 ( 2.373 5.145 1.798) 5.944 16.052 ( -3.167 -2.281 -0.827) 3.990 16.160 ( 0.933 2.613 1.118) 2.992 16.215 ( -1.790 -1.594 0.081) 2.399 16.302 ( 0.784 -1.845 -1.721) 2.642 16.357 ( 2.053 1.765 -4.077) 4.894 16.416 ( 2.134 2.466 4.837) 5.834 16.705 ( -5.193 3.085 -1.799) 6.303 16.793 ( -2.964 -3.045 -10.691) 11.505 16.939 ( -5.419 -0.993 3.288) 6.416 16.957 ( 4.881 -0.595 2.178) 5.378 17.020 ( 0.463 -1.144 0.476) 1.323 17.103 ( 5.130 -0.153 -0.526) 5.159 17.257 ( -4.921 -2.854 -0.834) 5.749 17.278 ( 3.199 -3.957 -3.178) 5.999 17.412 ( -1.335 0.336 0.995) 1.698 17.445 ( 2.892 -0.180 2.352) 3.732 17.475 ( 2.776 0.225 1.172) 3.021 17.533 ( 3.379 1.891 3.911) 5.503 17.708 ( -6.845 -3.572 -7.719) 10.917 17.908 ( -1.932 -4.996 -2.062) 5.740 18.375 ( -0.341 2.158 0.169) 2.192 18.396 ( 0.671 2.088 -0.366) 2.223 18.673 ( -0.443 -0.783 -2.160) 2.340 18.749 ( -0.646 -2.023 1.150) 2.415 19.484 ( -0.944 1.334 -0.128) 1.639 19.527 ( 0.487 2.397 -0.419) 2.481 20.125 ( -1.028 -5.444 9.922) 11.364 20.403 ( 20.454 -11.316 3.332) 23.612 21.189 ( 1.556 -1.666 -4.702) 5.226 21.239 ( -1.935 -14.725 -12.656) 19.513 21.251 ( 1.238 -3.446 -0.929) 3.777 21.421 ( 0.514 -8.069 1.056) 8.154 21.583 ( -1.467 -2.076 -0.722) 2.643 21.684 ( -0.338 -5.206 2.197) 5.661 21.965 ( -1.359 -1.016 -1.719) 2.416 21.997 ( -1.758 -2.284 -2.332) 3.707 22.016 ( -0.666 0.657 2.377) 2.555 22.150 ( -0.033 -2.143 0.450) 2.190 22.254 ( -0.271 -0.427 3.202) 3.242 22.342 ( 0.728 3.745 1.167) 3.989 22.374 ( -1.984 0.933 0.092) 2.195 22.482 ( -4.627 1.811 -0.910) 5.052 22.565 ( -2.318 5.805 -1.178) 6.361 22.629 ( -0.494 7.431 -1.287) 7.558 22.777 ( -0.421 2.539 1.522) 2.990 22.899 ( 0.360 1.283 2.753) 3.058 23.018 ( -2.643 5.078 -5.872) 8.201 23.084 ( 2.462 5.198 -1.933) 6.068 23.114 ( -3.190 9.550 3.072) 10.527 23.285 ( 2.438 4.907 -2.349) 5.961 24.022 ( -17.569 26.764 17.622) 36.544 24.099 ( -1.910 2.296 -12.372) 12.727 ======================= Grid point 137 (62/75) ======================= q-point: ( 0.29 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 21.728 22.018 -13.278) 33.663 1.578 ( 28.084 13.538 -14.048) 34.196 1.927 ( 27.647 10.485 12.308) 32.028 2.338 ( 14.423 1.998 25.242) 29.140 2.689 ( 35.820 22.196 -19.258) 46.331 2.790 ( -17.648 8.067 -8.743) 21.283 3.004 ( -9.466 4.509 4.925) 11.584 3.188 ( -18.189 -6.846 -0.586) 19.444 3.322 ( -8.491 7.263 -13.036) 17.169 3.337 ( 8.127 0.614 -18.864) 20.549 3.538 ( -23.914 6.469 10.687) 26.980 3.727 ( -7.074 -0.163 2.976) 7.676 3.810 ( -14.662 4.939 6.505) 16.784 3.990 ( 10.021 5.928 19.174) 22.432 4.039 ( -1.524 2.018 2.307) 3.423 4.206 ( -5.202 4.085 0.649) 6.646 4.383 ( 2.571 2.824 8.432) 9.257 4.451 ( 0.452 2.813 10.056) 10.452 4.559 ( -4.193 1.057 -6.825) 8.079 4.627 ( 4.973 2.070 -10.571) 11.864 4.864 ( -5.197 -0.487 -0.790) 5.279 4.971 ( -10.764 1.030 4.522) 11.721 5.173 ( 14.039 -3.292 -1.861) 14.540 5.338 ( -7.348 1.781 -7.714) 10.802 5.481 ( -3.257 -10.297 -2.898) 11.182 5.612 ( -3.842 -3.922 3.870) 6.717 5.663 ( 1.033 0.279 -2.187) 2.434 5.753 ( -2.169 -1.894 -6.786) 7.372 5.846 ( 6.020 -2.844 2.576) 7.139 5.961 ( -5.138 -1.984 4.002) 6.808 6.054 ( -2.837 6.105 -1.498) 6.896 6.117 ( -5.558 5.011 0.967) 7.545 6.261 ( -6.995 5.056 6.682) 10.915 6.573 ( -8.202 1.532 -2.759) 8.788 6.674 ( -10.094 -2.364 -1.975) 10.554 6.733 ( 0.198 -5.616 -1.238) 5.754 6.796 ( -1.078 -9.443 6.082) 11.283 6.922 ( 0.669 -5.215 3.376) 6.249 7.022 ( -7.314 -5.687 1.048) 9.324 7.318 ( -10.691 -2.990 -3.657) 11.688 7.434 ( -2.545 1.729 3.404) 4.589 7.463 ( -9.449 -6.371 2.386) 11.643 7.659 ( 1.908 4.554 -2.392) 5.486 7.730 ( -4.348 -7.885 -6.251) 10.961 7.829 ( 10.665 -2.946 -3.413) 11.579 7.903 ( 4.858 -7.874 2.820) 9.672 8.011 ( -2.731 5.287 -2.459) 6.439 8.083 ( 0.655 -8.631 -0.300) 8.661 8.175 ( 1.067 -3.149 -2.567) 4.201 8.250 ( -0.353 -10.228 -3.025) 10.672 8.424 ( 0.128 -4.239 2.179) 4.768 8.484 ( 1.462 -5.538 -3.751) 6.846 8.527 ( -5.144 -6.374 -0.966) 8.248 8.629 ( -0.513 -2.613 0.483) 2.707 8.728 ( 4.074 -2.405 2.621) 5.408 8.769 ( 1.132 2.928 0.741) 3.226 8.796 ( 10.220 2.264 -2.280) 10.713 9.032 ( -8.046 8.938 7.815) 14.343 9.056 ( -2.353 5.109 0.342) 5.635 9.073 ( -8.754 -3.279 2.961) 9.805 9.269 ( -2.652 -2.990 7.589) 8.577 9.381 ( 0.250 -2.514 -4.543) 5.198 9.495 ( -5.823 -1.772 4.893) 7.809 9.583 ( -8.522 -0.026 -1.033) 8.585 9.587 ( -4.773 -3.070 2.229) 6.097 9.690 ( -3.700 -3.187 0.609) 4.922 9.740 ( 3.073 -0.595 -2.315) 3.893 9.815 ( 10.507 3.266 -7.030) 13.057 9.947 ( -1.441 1.248 -3.327) 3.834 10.113 ( -1.356 -9.417 -8.899) 13.027 10.158 ( -8.362 -0.946 1.731) 8.592 10.275 ( -4.479 0.493 5.118) 6.819 10.342 ( 0.253 -3.912 3.670) 5.370 10.474 ( 5.276 7.608 -0.140) 9.259 10.548 ( -7.389 3.725 1.085) 8.346 10.568 ( -8.738 -1.275 -1.775) 9.008 10.672 ( 0.110 9.026 -3.377) 9.638 10.762 ( -3.259 1.931 0.072) 3.789 10.797 ( 3.664 4.852 -2.172) 6.456 10.812 ( -1.422 -0.277 -0.884) 1.697 10.906 ( -2.285 2.201 -2.285) 3.910 10.949 ( 6.551 5.170 0.574) 8.365 11.128 ( -1.918 -6.592 2.552) 7.325 11.244 ( 8.339 0.758 -2.209) 8.660 11.484 ( 2.573 1.008 4.137) 4.975 11.571 ( 8.497 0.215 2.792) 8.947 11.688 ( -0.442 -5.503 -1.879) 5.832 11.742 ( 3.665 -4.522 -0.717) 5.865 11.894 ( 7.875 -6.012 -3.307) 10.445 11.953 ( 8.561 -2.498 -0.269) 8.922 12.165 ( 5.894 -3.739 -1.458) 7.130 12.208 ( 5.369 -3.553 3.055) 7.126 12.391 ( 1.097 -6.333 -1.126) 6.525 12.428 ( 5.118 -5.825 0.384) 7.764 12.493 ( -1.950 0.588 -2.338) 3.101 12.608 ( -3.022 -3.790 4.967) 6.940 12.690 ( 1.261 3.345 -1.940) 4.067 12.739 ( 3.426 -0.004 -1.449) 3.719 12.876 ( 4.604 -6.252 -0.163) 7.766 12.906 ( 1.239 6.019 4.386) 7.550 12.950 ( 6.259 9.343 1.256) 11.316 13.001 ( 2.868 4.132 3.057) 5.886 13.194 ( 4.900 1.294 0.395) 5.083 13.422 ( 1.523 2.306 -2.607) 3.799 13.541 ( 0.547 -1.890 0.514) 2.033 13.627 ( 0.695 5.654 -4.659) 7.359 13.708 ( 2.099 4.231 3.325) 5.776 13.940 ( -3.755 2.198 1.314) 4.545 13.985 ( -5.327 -2.452 7.087) 9.199 14.060 ( -3.403 2.301 1.399) 4.340 14.310 ( 2.456 0.159 5.039) 5.608 14.398 ( -0.766 3.313 1.930) 3.910 14.553 ( -2.993 5.094 -3.885) 7.071 14.769 ( 6.260 0.040 1.380) 6.411 14.778 ( 8.231 -1.165 2.386) 8.649 14.960 ( -1.492 -1.882 -3.795) 4.491 15.028 ( 4.992 -0.975 -11.200) 12.300 15.153 ( -2.389 -3.591 1.402) 4.535 15.304 ( -0.797 3.332 -0.603) 3.478 15.375 ( 1.218 2.743 -0.869) 3.124 15.396 ( 0.444 4.407 -7.428) 8.648 15.578 ( -0.227 -2.985 4.302) 5.242 15.648 ( 1.954 1.440 5.311) 5.840 15.664 ( 1.948 -0.129 -0.898) 2.149 15.708 ( -0.947 3.283 -2.819) 4.430 15.771 ( 1.706 1.155 -0.364) 2.093 15.831 ( -2.418 6.857 1.527) 7.430 15.990 ( -2.393 -1.426 -1.176) 3.023 16.012 ( 4.057 4.202 2.446) 6.332 16.129 ( 0.085 -1.152 -4.429) 4.577 16.265 ( -0.104 -0.743 4.416) 4.480 16.315 ( 3.396 -4.479 -1.362) 5.784 16.373 ( 4.559 1.906 3.544) 6.081 16.524 ( 4.271 0.316 5.159) 6.705 16.627 ( -1.949 5.450 -1.325) 5.938 16.672 ( -0.395 1.091 -7.128) 7.222 16.846 ( -7.808 -0.524 6.502) 10.174 16.980 ( -3.854 1.244 -1.835) 4.446 17.083 ( 3.339 -5.968 -4.853) 8.385 17.126 ( 1.965 -0.473 0.893) 2.209 17.211 ( 3.855 -0.872 -2.137) 4.493 17.316 ( 1.486 -0.727 0.371) 1.696 17.396 ( -1.183 -2.228 2.334) 3.437 17.498 ( 1.347 -2.373 -0.179) 2.734 17.550 ( -1.497 -2.519 -2.226) 3.680 17.567 ( 1.287 -2.155 4.865) 5.474 17.659 ( 2.881 -0.082 3.449) 4.495 17.820 ( -2.443 -3.157 -6.291) 7.451 18.377 ( 0.192 2.297 0.503) 2.359 18.401 ( 0.373 2.155 -0.660) 2.285 18.666 ( 0.879 -1.050 -0.969) 1.678 18.728 ( -2.003 -1.771 0.408) 2.705 19.475 ( -0.500 1.518 0.922) 1.845 19.526 ( 0.504 2.857 -1.735) 3.380 20.244 ( 2.523 -6.121 12.564) 14.201 20.782 ( 11.992 -17.025 7.712) 22.207 20.994 ( -3.481 -10.322 -21.650) 24.236 21.162 ( 2.092 -2.294 -8.924) 9.449 21.340 ( 4.809 -1.495 5.599) 7.530 21.441 ( 1.086 -2.992 1.598) 3.562 21.580 ( 0.160 -3.821 1.275) 4.031 21.672 ( -1.128 -6.891 -0.907) 7.041 21.935 ( -0.744 -0.242 0.423) 0.890 21.959 ( -2.168 -1.543 0.311) 2.679 22.018 ( -0.298 0.403 -0.249) 0.559 22.137 ( 0.043 2.416 -0.857) 2.564 22.190 ( -6.479 0.248 -2.104) 6.816 22.321 ( -6.881 5.373 -1.120) 8.802 22.391 ( 0.946 0.912 4.201) 4.402 22.445 ( -0.519 1.830 1.473) 2.406 22.505 ( 0.085 8.889 -1.129) 8.961 22.571 ( -2.282 5.217 -0.577) 5.724 22.786 ( -0.209 3.440 -0.014) 3.446 22.900 ( 0.115 6.028 -2.497) 6.526 22.983 ( 1.630 3.124 2.720) 4.452 23.086 ( -0.200 10.013 0.335) 10.021 23.146 ( 0.731 6.297 1.229) 6.457 23.307 ( 3.974 8.683 -3.312) 10.108 23.885 ( -8.959 4.101 -1.528) 9.971 23.923 ( -11.083 8.946 6.548) 15.676 ======================= Grid point 138 (63/75) ======================= q-point: ( 0.43 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 29.065 16.896 -0.705) 33.626 2.014 ( 29.741 6.882 -5.550) 31.027 2.255 ( -22.959 11.813 -4.710) 26.246 2.426 ( -9.124 0.573 2.879) 9.585 2.691 ( 10.321 7.546 9.606) 15.992 2.913 ( -0.264 -1.325 10.341) 10.428 3.016 ( 6.408 1.928 1.357) 6.828 3.104 ( 0.839 10.421 -10.255) 14.644 3.191 ( -0.876 13.031 6.324) 14.511 3.254 ( 5.337 1.695 -8.151) 9.889 3.336 ( 0.481 -0.009 -5.673) 5.694 3.488 ( -12.245 3.576 -12.162) 17.624 3.653 ( -1.463 10.488 3.863) 11.272 3.871 ( -16.430 11.670 1.779) 20.231 4.178 ( 7.418 -0.060 -6.821) 10.077 4.243 ( -5.840 0.999 11.020) 12.512 4.347 ( -4.832 3.980 7.367) 9.668 4.482 ( -0.535 -0.566 0.474) 0.912 4.545 ( 3.751 0.309 3.550) 5.173 4.669 ( 1.733 0.599 -5.683) 5.972 4.819 ( -6.339 3.015 13.863) 15.539 4.945 ( -8.609 0.746 -13.991) 16.444 5.096 ( 10.358 -1.662 0.022) 10.490 5.309 ( -6.138 -4.712 -0.003) 7.738 5.525 ( 6.012 0.254 2.547) 6.535 5.598 ( -4.402 -3.191 11.577) 12.791 5.642 ( 1.813 -1.505 -7.978) 8.319 5.652 ( 2.155 -0.139 -7.985) 8.272 5.889 ( -4.750 1.089 5.538) 7.377 5.905 ( -1.367 0.136 -1.659) 2.154 6.025 ( 3.018 6.690 -1.274) 7.449 6.072 ( -1.893 7.730 0.691) 7.988 6.302 ( 2.974 -2.841 1.646) 4.430 6.429 ( -8.740 -8.613 0.336) 12.275 6.507 ( 1.652 -2.715 0.651) 3.244 6.700 ( -6.144 -4.788 -1.761) 7.987 6.771 ( -0.130 -0.034 -5.036) 5.038 6.829 ( -8.196 -2.818 -1.224) 8.753 7.019 ( -2.486 -10.430 9.315) 14.203 7.100 ( -4.048 -4.890 -7.603) 9.905 7.383 ( 0.351 -3.791 5.685) 6.842 7.485 ( -4.663 -4.176 1.231) 6.379 7.575 ( 3.278 5.553 0.043) 6.449 7.697 ( -1.794 9.708 -5.904) 11.503 7.909 ( 0.565 -5.522 0.461) 5.570 7.948 ( 2.145 -4.553 -2.796) 5.758 8.040 ( 1.781 -4.202 4.546) 6.442 8.105 ( 3.741 -14.256 -2.946) 15.030 8.130 ( -1.932 -6.271 -0.147) 6.563 8.222 ( -2.347 -17.110 -2.811) 17.498 8.445 ( 0.666 -2.221 4.417) 4.989 8.488 ( 2.418 -4.254 -3.078) 5.781 8.518 ( 1.480 -4.630 3.889) 6.225 8.583 ( -4.049 2.789 -1.520) 5.146 8.775 ( 3.107 -5.924 -5.217) 8.484 8.786 ( -1.065 -2.483 3.296) 4.262 8.934 ( -0.296 2.401 -3.565) 4.308 8.943 ( -2.216 2.729 3.449) 4.925 9.079 ( 6.712 2.883 11.312) 13.466 9.138 ( 3.615 -2.184 5.781) 7.160 9.268 ( -4.692 1.320 2.445) 5.453 9.305 ( -3.551 -0.184 -9.516) 10.159 9.434 ( -1.598 -6.867 -0.380) 7.061 9.452 ( -4.280 -4.471 0.125) 6.190 9.599 ( 0.108 -4.103 10.593) 11.361 9.668 ( -0.304 -5.908 1.551) 6.116 9.717 ( -0.183 -1.455 -6.053) 6.228 9.784 ( -1.704 -1.739 -13.858) 14.070 10.016 ( 1.096 -1.965 -3.395) 4.073 10.047 ( 5.923 6.702 1.829) 9.129 10.057 ( -2.705 -0.527 2.073) 3.449 10.187 ( -5.734 2.718 -0.690) 6.383 10.367 ( -1.637 1.180 -0.621) 2.112 10.391 ( -4.720 -0.894 2.705) 5.513 10.484 ( -0.448 2.876 -0.079) 2.912 10.565 ( -6.500 0.316 -3.286) 7.291 10.626 ( 8.559 10.158 -0.777) 13.306 10.732 ( -2.495 10.973 0.331) 11.258 10.772 ( -3.408 5.154 5.362) 8.181 10.792 ( 0.780 5.894 -6.133) 8.541 10.922 ( 3.742 -0.340 0.947) 3.875 10.997 ( -1.416 1.652 -2.645) 3.425 11.179 ( 2.975 -3.704 5.668) 7.396 11.271 ( -0.738 -0.205 -5.471) 5.524 11.532 ( 1.265 0.522 2.725) 3.049 11.595 ( -2.628 -3.145 -2.561) 4.832 11.782 ( 5.151 -1.225 1.973) 5.650 11.874 ( -2.308 -2.074 -3.430) 4.625 11.942 ( 14.431 -4.608 6.644) 16.542 12.120 ( 4.336 -0.630 -1.492) 4.629 12.244 ( 1.821 -6.167 0.587) 6.457 12.272 ( 3.160 -6.385 -0.128) 7.126 12.332 ( -2.721 2.142 -0.177) 3.467 12.393 ( -5.441 1.142 -3.944) 6.817 12.500 ( 2.480 0.255 -0.258) 2.507 12.585 ( -5.828 -2.371 0.407) 6.305 12.714 ( 4.386 -4.581 0.111) 6.343 12.765 ( 1.274 -3.256 -0.467) 3.528 12.878 ( -0.290 0.199 1.528) 1.568 12.930 ( -1.129 -0.026 -1.320) 1.737 13.137 ( 8.507 3.338 4.665) 10.261 13.191 ( 4.197 1.709 6.820) 8.188 13.270 ( 3.410 0.312 0.122) 3.426 13.378 ( -2.433 2.340 -6.968) 7.743 13.561 ( 0.621 -0.140 3.759) 3.813 13.607 ( 0.183 -0.323 -3.765) 3.783 13.810 ( 7.580 1.000 2.225) 7.963 13.909 ( -1.441 5.287 1.984) 5.828 13.937 ( -3.914 1.206 2.545) 4.822 13.985 ( -6.323 0.815 -0.807) 6.426 14.342 ( 1.688 4.515 0.867) 4.897 14.435 ( -4.406 7.179 -5.539) 10.081 14.541 ( 5.509 -1.671 13.455) 14.635 14.763 ( -4.417 -3.431 -12.849) 14.013 14.919 ( 3.943 0.970 4.154) 5.809 14.934 ( 4.336 1.122 2.488) 5.123 15.037 ( 4.090 -2.701 -8.482) 9.796 15.096 ( -4.439 -4.888 -1.925) 6.878 15.292 ( -0.438 4.532 2.538) 5.212 15.333 ( -0.733 3.325 -4.325) 5.504 15.412 ( 3.617 1.887 0.493) 4.110 15.513 ( -5.764 -0.357 -1.647) 6.005 15.668 ( 0.247 2.022 0.363) 2.069 15.680 ( 0.007 2.606 -0.846) 2.740 15.746 ( 3.284 3.981 0.467) 5.182 15.788 ( -1.220 4.832 0.519) 5.011 15.815 ( -0.172 1.529 3.677) 3.986 15.894 ( -3.446 0.645 -4.541) 5.737 16.071 ( 4.119 3.603 -0.862) 5.540 16.125 ( -1.869 -0.041 1.429) 2.353 16.276 ( -0.749 -0.503 2.793) 2.935 16.299 ( 0.427 -0.294 -4.448) 4.478 16.524 ( 3.095 1.822 3.452) 4.982 16.580 ( -1.144 4.344 -2.035) 4.931 16.659 ( 0.279 2.236 7.043) 7.395 16.670 ( 5.634 -1.816 -2.679) 6.498 16.805 ( -2.929 0.698 5.141) 5.958 16.858 ( -4.508 1.707 -2.643) 5.497 17.088 ( 4.447 -7.024 -5.475) 9.954 17.140 ( -4.225 -5.105 1.844) 6.879 17.300 ( 7.322 0.978 -1.012) 7.456 17.373 ( 1.986 0.622 4.097) 4.596 17.393 ( -2.423 -2.635 2.199) 4.201 17.464 ( -2.192 -0.312 -3.975) 4.550 17.545 ( 0.630 -5.373 1.175) 5.536 17.576 ( -2.163 -4.576 0.425) 5.080 17.725 ( -0.506 -1.777 5.225) 5.542 17.751 ( 1.671 -2.073 -6.660) 7.173 18.387 ( 0.274 2.362 0.756) 2.495 18.397 ( 0.012 2.277 -0.796) 2.412 18.678 ( 1.097 -1.296 -0.426) 1.751 18.698 ( -1.589 -1.456 0.288) 2.175 19.485 ( 0.119 2.146 2.036) 2.960 19.510 ( -0.128 2.658 -2.417) 3.594 20.438 ( 3.861 -7.829 17.189) 19.279 20.686 ( -3.530 -12.773 -22.198) 25.853 21.013 ( 1.300 -2.977 10.496) 10.987 21.103 ( 1.282 -2.371 -10.341) 10.687 21.486 ( 1.610 -1.051 2.755) 3.360 21.490 ( 3.639 -1.454 2.829) 4.833 21.599 ( 2.002 -9.444 1.066) 9.713 21.651 ( -0.262 -11.725 -1.490) 11.822 21.913 ( -0.574 2.139 -0.082) 2.216 21.964 ( 0.085 -0.759 2.149) 2.281 21.986 ( -1.735 0.064 -5.034) 5.325 22.027 ( -6.407 1.339 0.875) 6.604 22.158 ( 1.842 6.181 -0.133) 6.451 22.209 ( -4.107 6.330 -0.431) 7.558 22.401 ( -0.478 4.025 0.308) 4.065 22.418 ( -0.806 3.312 -1.592) 3.762 22.555 ( 1.495 3.281 2.540) 4.411 22.572 ( 0.530 2.260 0.831) 2.466 22.794 ( 1.822 5.112 -0.324) 5.436 22.846 ( -2.995 6.660 -1.420) 7.439 23.090 ( 3.754 9.855 0.429) 10.555 23.095 ( -1.109 10.758 4.710) 11.796 23.162 ( 3.221 5.360 2.452) 6.717 23.302 ( -1.795 7.800 -7.328) 10.852 23.753 ( 1.670 -4.014 -5.968) 7.384 23.814 ( -10.181 3.717 8.462) 13.750 ======================= Grid point 142 (64/75) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 5.630 26.300 -12.086) 29.487 1.635 ( -5.630 26.300 12.086) 29.487 2.001 ( 2.524 25.812 -21.330) 33.580 2.001 ( -2.524 25.812 21.330) 33.580 3.093 ( 1.526 3.361 -20.375) 20.707 3.093 ( -1.526 3.361 20.375) 20.707 3.247 ( 1.264 17.954 -30.970) 35.820 3.247 ( -1.264 17.954 30.970) 35.820 3.617 ( 0.829 1.408 -10.594) 10.719 3.617 ( -0.829 1.408 10.594) 10.719 3.725 ( 1.609 2.533 -2.061) 3.641 3.725 ( -1.609 2.533 2.061) 3.641 3.938 ( -3.349 3.107 -5.285) 6.986 3.938 ( 3.349 3.107 5.285) 6.986 4.307 ( 2.192 2.801 -1.217) 3.759 4.307 ( -2.192 2.801 1.217) 3.759 4.511 ( -1.931 5.162 -5.763) 7.974 4.511 ( 1.931 5.162 5.763) 7.974 4.676 ( -0.316 -1.286 -1.938) 2.347 4.676 ( 0.316 -1.286 1.938) 2.347 4.987 ( -9.205 3.821 -4.791) 11.058 4.987 ( 9.205 3.821 4.791) 11.058 5.248 ( -5.565 -9.801 -7.682) 13.640 5.248 ( 5.565 -9.801 7.682) 13.640 5.365 ( -3.577 -5.189 -6.032) 8.724 5.365 ( 3.577 -5.189 6.032) 8.724 5.632 ( 6.184 -7.213 -6.466) 11.493 5.632 ( -6.184 -7.213 6.466) 11.493 5.937 ( -1.980 -3.222 -11.181) 11.804 5.937 ( 1.980 -3.222 11.181) 11.804 6.070 ( -1.048 -1.921 -9.001) 9.263 6.070 ( 1.048 -1.921 9.001) 9.263 6.514 ( -2.696 0.460 -4.006) 4.851 6.514 ( 2.696 0.460 4.006) 4.851 6.766 ( -8.980 -2.862 -2.443) 9.736 6.766 ( 8.980 -2.862 2.443) 9.736 7.003 ( -13.842 0.054 -1.119) 13.888 7.003 ( 13.842 0.054 1.119) 13.888 7.204 ( -8.942 -11.031 -4.246) 14.821 7.204 ( 8.942 -11.031 4.246) 14.821 7.371 ( -8.597 -3.924 -7.593) 12.122 7.371 ( 8.597 -3.924 7.593) 12.122 7.605 ( -4.661 -2.881 -2.518) 6.031 7.605 ( 4.661 -2.881 2.518) 6.031 7.927 ( -2.626 -1.661 -5.010) 5.895 7.927 ( 2.626 -1.661 5.010) 5.895 8.029 ( -13.569 5.602 -1.479) 14.754 8.029 ( 13.569 5.602 1.479) 14.754 8.127 ( -1.527 -7.052 -4.908) 8.727 8.127 ( 1.527 -7.052 4.908) 8.727 8.364 ( -1.422 -3.504 -6.185) 7.250 8.364 ( 1.422 -3.504 6.185) 7.250 8.497 ( 3.988 -2.868 -8.571) 9.879 8.497 ( -3.988 -2.868 8.571) 9.879 8.781 ( -0.239 5.467 -6.706) 8.655 8.781 ( 0.239 5.467 6.706) 8.655 8.920 ( -8.234 -5.385 -4.791) 10.943 8.920 ( 8.234 -5.385 4.791) 10.943 9.147 ( -6.780 -1.177 -0.283) 6.887 9.147 ( 6.780 -1.177 0.283) 6.887 9.375 ( 3.326 -6.929 -5.347) 9.363 9.375 ( -3.326 -6.929 5.347) 9.363 9.592 ( -0.058 -0.634 -1.201) 1.359 9.592 ( 0.058 -0.634 1.201) 1.359 9.710 ( 5.633 4.471 -2.826) 7.727 9.710 ( -5.633 4.471 2.826) 7.727 9.884 ( -1.369 -2.896 -3.866) 5.021 9.884 ( 1.369 -2.896 3.866) 5.021 10.096 ( -1.939 -0.303 -3.707) 4.194 10.096 ( 1.939 -0.303 3.707) 4.194 10.297 ( 2.090 7.136 -2.301) 7.784 10.297 ( -2.090 7.136 2.301) 7.784 10.395 ( 2.695 -2.479 -2.636) 4.512 10.395 ( -2.695 -2.479 2.636) 4.512 10.574 ( -7.556 -1.727 -2.851) 8.258 10.574 ( 7.556 -1.727 2.851) 8.258 10.685 ( 0.654 -3.209 -5.241) 6.180 10.685 ( -0.654 -3.209 5.241) 6.180 10.873 ( 1.507 -5.790 -2.976) 6.682 10.873 ( -1.507 -5.790 2.976) 6.682 11.033 ( -4.393 -0.064 -5.890) 7.348 11.033 ( 4.393 -0.064 5.890) 7.348 11.079 ( 0.863 1.660 -5.454) 5.766 11.079 ( -0.863 1.660 5.454) 5.766 11.316 ( -6.893 -3.036 -7.511) 10.637 11.316 ( 6.893 -3.036 7.511) 10.637 11.441 ( -5.242 -0.461 0.282) 5.270 11.441 ( 5.242 -0.461 -0.282) 5.270 11.642 ( -6.936 -1.491 -0.846) 7.145 11.642 ( 6.936 -1.491 0.846) 7.145 11.875 ( -4.397 -8.650 -6.840) 11.872 11.875 ( 4.397 -8.650 6.840) 11.872 12.182 ( 1.484 -2.503 -3.991) 4.939 12.182 ( -1.484 -2.503 3.991) 4.939 12.453 ( -3.227 0.977 0.052) 3.372 12.453 ( 3.227 0.977 -0.052) 3.372 12.611 ( 6.768 -2.251 -4.197) 8.276 12.611 ( -6.768 -2.251 4.197) 8.276 13.013 ( 0.121 4.191 -1.734) 4.537 13.013 ( -0.121 4.191 1.734) 4.537 13.133 ( -1.438 4.178 -2.514) 5.084 13.133 ( 1.438 4.178 2.514) 5.084 13.407 ( 2.055 -2.096 -4.882) 5.696 13.407 ( -2.055 -2.096 4.882) 5.696 13.501 ( -6.300 3.883 -10.451) 12.806 13.501 ( 6.300 3.883 10.451) 12.806 13.917 ( -1.417 2.624 -3.765) 4.803 13.917 ( 1.418 2.624 3.765) 4.803 14.129 ( 6.176 2.702 -3.467) 7.580 14.129 ( -6.176 2.702 3.467) 7.580 14.309 ( -3.945 2.532 -0.063) 4.688 14.309 ( 3.945 2.532 0.063) 4.688 14.490 ( 0.537 -0.006 -1.846) 1.923 14.490 ( -0.537 -0.006 1.846) 1.923 14.866 ( 0.797 9.878 -4.582) 10.918 14.866 ( -0.797 9.878 4.582) 10.918 15.015 ( 1.709 -4.813 -2.578) 5.721 15.015 ( -1.709 -4.813 2.578) 5.721 15.380 ( 0.507 4.646 -1.829) 5.018 15.380 ( -0.507 4.646 1.829) 5.018 15.526 ( 3.124 4.986 -4.221) 7.242 15.526 ( -3.124 4.986 4.221) 7.242 15.718 ( -2.769 3.157 -2.188) 4.735 15.718 ( 2.769 3.157 2.188) 4.735 15.780 ( 0.203 2.585 -3.059) 4.011 15.780 ( -0.203 2.585 3.059) 4.011 15.827 ( -0.048 0.353 -1.779) 1.814 15.827 ( 0.048 0.353 1.779) 1.814 16.106 ( -2.752 -1.300 -4.213) 5.197 16.106 ( 2.752 -1.300 4.213) 5.197 16.260 ( 3.316 0.604 -3.618) 4.945 16.260 ( -3.316 0.604 3.618) 4.945 16.424 ( 1.114 3.194 -3.772) 5.067 16.424 ( -1.114 3.194 3.772) 5.067 16.804 ( -0.930 -4.028 -3.181) 5.216 16.804 ( 0.930 -4.028 3.181) 5.216 16.886 ( 0.949 0.101 -3.667) 3.789 16.886 ( -0.949 0.101 3.667) 3.789 17.084 ( -3.205 5.397 -2.371) 6.710 17.084 ( 3.205 5.397 2.371) 6.710 17.228 ( 1.560 -2.622 -3.748) 4.833 17.228 ( -1.560 -2.622 3.748) 4.833 17.411 ( 0.430 -0.876 -1.129) 1.492 17.411 ( -0.430 -0.876 1.129) 1.492 17.514 ( -0.825 2.695 -4.256) 5.105 17.514 ( 0.825 2.695 4.256) 5.105 17.775 ( -2.364 -3.451 -3.705) 5.588 17.775 ( 2.364 -3.451 3.705) 5.588 18.413 ( 0.708 0.408 -0.736) 1.099 18.413 ( -0.708 0.408 0.736) 1.099 18.689 ( 0.591 -1.332 -4.002) 4.259 18.689 ( -0.591 -1.332 4.002) 4.259 19.544 ( -0.427 1.605 -1.547) 2.270 19.544 ( 0.427 1.605 1.547) 2.270 19.981 ( 6.814 -7.442 -6.206) 11.846 19.981 ( -6.814 -7.442 6.206) 11.846 21.151 ( -1.627 -6.382 -8.462) 10.723 21.151 ( 1.627 -6.382 8.462) 10.723 21.201 ( 1.195 -0.842 -6.621) 6.780 21.201 ( -1.195 -0.842 6.621) 6.780 21.578 ( -1.114 -2.530 -3.101) 4.154 21.578 ( 1.114 -2.530 3.101) 4.154 21.982 ( -0.389 -0.702 -5.775) 5.831 21.982 ( 0.389 -0.702 5.775) 5.831 22.020 ( -1.709 -2.290 -3.414) 4.452 22.020 ( 1.709 -2.290 3.414) 4.452 22.320 ( 0.102 1.915 -3.050) 3.603 22.320 ( -0.102 1.915 3.050) 3.603 22.492 ( -3.011 0.348 -2.554) 3.963 22.492 ( 3.011 0.348 2.554) 3.963 22.740 ( -2.711 4.545 -3.844) 6.541 22.740 ( 2.711 4.545 3.844) 6.541 22.906 ( -0.763 7.446 -2.772) 7.982 22.906 ( 0.763 7.446 2.772) 7.982 23.246 ( -1.188 1.814 -8.016) 8.304 23.246 ( 1.188 1.814 8.016) 8.304 23.334 ( -0.287 13.553 -3.817) 14.083 23.334 ( 0.287 13.553 3.817) 14.083 24.344 ( 2.870 3.687 -18.052) 18.647 24.344 ( -2.870 3.687 18.052) 18.647 ======================= Grid point 144 (65/75) ======================= q-point: ( 0.14 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 14.099 29.362 -9.239) 33.857 1.805 ( 12.727 21.893 9.064) 26.897 1.883 ( 6.978 27.061 -17.557) 33.004 2.197 ( 2.241 21.174 20.961) 29.879 2.954 ( 6.122 10.721 -16.547) 20.645 3.079 ( 3.688 14.677 -11.107) 18.772 3.218 ( 1.893 2.398 0.519) 3.099 3.433 ( -6.939 1.804 -4.662) 8.552 3.552 ( -8.555 5.475 3.875) 10.871 3.578 ( -4.178 6.881 -2.632) 8.470 3.748 ( 0.734 2.901 9.622) 10.077 3.776 ( 7.946 7.016 11.585) 15.703 3.870 ( -3.215 6.825 1.625) 7.717 4.012 ( -2.287 1.167 5.151) 5.755 4.215 ( -9.596 4.444 -0.865) 10.611 4.244 ( -3.304 0.656 -0.722) 3.445 4.411 ( -3.866 4.445 2.017) 6.227 4.545 ( -5.842 4.827 3.294) 8.263 4.627 ( -0.409 -3.517 -4.346) 5.606 4.663 ( 0.474 2.370 -1.047) 2.634 4.897 ( 3.890 -1.702 -3.672) 5.614 5.087 ( -6.748 -1.229 -0.027) 6.859 5.168 ( 3.079 -6.358 3.960) 8.099 5.210 ( -5.831 -2.046 -3.927) 7.322 5.447 ( 3.718 2.397 -2.051) 4.876 5.532 ( 7.484 -5.898 6.811) 11.713 5.608 ( 1.750 -7.641 4.091) 8.842 5.693 ( 2.612 -6.726 -8.348) 11.034 5.757 ( -4.751 -0.677 -3.126) 5.728 6.038 ( -2.575 -4.772 9.535) 10.969 6.056 ( 7.419 -6.605 0.265) 9.937 6.182 ( -2.784 -0.785 7.969) 8.478 6.383 ( -5.327 2.380 -9.044) 10.763 6.435 ( -12.512 0.568 2.223) 12.721 6.606 ( -3.336 -0.674 4.081) 5.314 6.827 ( -5.973 -3.524 -0.422) 6.948 6.870 ( 0.474 -3.803 -3.021) 4.880 6.962 ( -9.022 -8.293 2.406) 12.489 7.093 ( -13.781 -6.885 -7.116) 16.970 7.175 ( -6.237 -8.774 2.525) 11.057 7.390 ( 9.305 -0.001 -2.651) 9.675 7.472 ( 5.063 -4.153 -1.178) 6.654 7.579 ( -3.482 -4.985 1.547) 6.275 7.687 ( 0.976 -6.429 -2.311) 6.901 7.758 ( -8.522 0.932 2.732) 8.998 7.860 ( -8.207 -6.701 -7.926) 13.232 7.891 ( 2.856 -2.295 5.796) 6.857 8.100 ( -0.640 -3.453 0.523) 3.551 8.128 ( -4.066 -4.327 -0.542) 5.963 8.217 ( -3.908 -2.961 -5.292) 7.214 8.282 ( 9.405 6.117 0.726) 11.243 8.438 ( -1.339 -7.573 2.744) 8.165 8.520 ( -7.479 -3.000 -2.981) 8.592 8.572 ( 2.848 0.451 3.203) 4.309 8.590 ( 0.309 -3.423 -5.713) 6.667 8.723 ( 1.612 6.178 -8.653) 10.754 8.885 ( -1.199 -3.876 2.693) 4.869 9.042 ( -3.268 -4.413 6.592) 8.580 9.081 ( -2.106 3.385 8.628) 9.505 9.248 ( 2.301 1.184 3.448) 4.312 9.359 ( -1.829 -0.213 -1.256) 2.229 9.383 ( -1.772 -6.880 1.473) 7.255 9.547 ( -2.509 -0.810 -2.938) 3.947 9.574 ( -3.190 -2.900 -0.563) 4.347 9.594 ( -6.884 -1.268 3.683) 7.910 9.770 ( -2.553 1.167 1.445) 3.157 9.778 ( -0.631 2.706 -5.359) 6.037 9.875 ( -12.620 -0.596 -2.045) 12.799 9.983 ( 1.069 -1.643 -4.750) 5.138 10.055 ( -0.751 0.986 -0.351) 1.288 10.170 ( -6.289 -2.117 0.170) 6.638 10.305 ( -4.306 5.098 -8.123) 10.512 10.379 ( 5.071 -0.287 5.381) 7.400 10.464 ( -1.997 -3.378 4.954) 6.319 10.532 ( 6.952 0.667 -1.356) 7.114 10.639 ( -4.750 -5.492 0.770) 7.302 10.712 ( 0.051 -0.472 3.058) 3.094 10.743 ( 6.141 -1.177 -3.596) 7.213 10.832 ( -8.324 -1.594 3.793) 9.285 10.868 ( 6.185 1.853 -6.871) 9.429 11.007 ( 3.950 -2.184 -2.109) 4.982 11.031 ( -3.567 4.864 8.485) 10.411 11.080 ( 0.268 -0.915 -3.157) 3.298 11.237 ( -0.286 4.531 6.480) 7.912 11.306 ( 10.004 -1.963 5.763) 11.711 11.409 ( 5.117 3.349 -1.723) 6.354 11.493 ( 9.289 -11.208 -4.328) 15.186 11.572 ( 7.228 -0.675 1.871) 7.496 11.617 ( 8.038 -3.826 -4.223) 9.853 11.709 ( 0.457 -6.511 -3.597) 7.452 11.870 ( 7.312 -7.198 0.667) 10.282 12.095 ( 9.507 -6.832 6.337) 13.313 12.182 ( -2.807 0.597 0.108) 2.872 12.229 ( 10.648 -4.916 -1.194) 11.789 12.469 ( 5.175 -0.495 -0.177) 5.202 12.532 ( -5.776 -5.158 5.918) 9.746 12.538 ( 3.614 0.763 -0.142) 3.696 12.666 ( 4.747 -1.557 -7.811) 9.272 12.944 ( -5.071 1.453 -1.829) 5.583 12.996 ( -0.540 4.472 2.208) 5.016 13.103 ( -0.554 6.229 -0.353) 6.263 13.165 ( -2.229 3.727 0.552) 4.377 13.259 ( -3.553 8.080 -4.028) 9.702 13.387 ( 1.548 -3.166 -4.493) 5.710 13.470 ( -0.452 -3.888 3.638) 5.344 13.702 ( 3.055 3.336 8.266) 9.423 13.845 ( -2.116 3.743 -5.661) 7.109 13.977 ( 2.726 2.981 0.330) 4.053 14.063 ( -6.516 4.895 6.996) 10.741 14.226 ( 3.319 6.486 1.919) 7.535 14.238 ( -2.435 3.353 2.692) 4.942 14.395 ( 4.572 -3.306 -0.394) 5.656 14.541 ( 6.539 -2.829 -2.937) 7.706 14.587 ( 7.501 0.812 1.089) 7.623 14.791 ( -5.121 7.568 4.117) 10.023 14.951 ( 1.120 0.749 0.308) 1.382 15.001 ( -1.187 -4.061 -0.419) 4.251 15.076 ( 6.727 -0.181 1.220) 6.839 15.378 ( -1.042 2.755 -0.542) 2.995 15.414 ( 5.395 6.408 0.360) 8.385 15.497 ( -2.398 2.399 2.294) 4.095 15.528 ( 3.028 5.843 -7.014) 9.618 15.660 ( -0.516 2.639 -1.358) 3.012 15.699 ( -1.862 1.416 -5.271) 5.767 15.770 ( 1.080 1.984 -3.553) 4.210 15.809 ( 2.377 3.872 1.302) 4.726 15.852 ( 1.740 1.294 2.430) 3.257 15.902 ( 4.568 -1.862 0.231) 4.938 16.022 ( -2.958 1.321 0.060) 3.241 16.188 ( -3.242 -0.049 0.499) 3.280 16.209 ( 3.986 -0.040 1.368) 4.214 16.276 ( 0.697 1.543 -3.515) 3.902 16.425 ( 1.027 4.061 -0.615) 4.234 16.483 ( 3.620 3.335 2.050) 5.332 16.726 ( -3.163 -0.733 0.951) 3.384 16.801 ( -0.605 -0.679 -4.722) 4.808 16.908 ( -2.800 -1.397 5.084) 5.970 16.920 ( 0.990 -2.399 1.430) 2.963 17.010 ( -0.935 2.679 -3.585) 4.572 17.150 ( 2.367 4.800 2.090) 5.745 17.202 ( -4.598 -2.295 1.610) 5.385 17.225 ( 2.993 -1.548 -3.013) 4.520 17.413 ( 0.240 -2.315 0.684) 2.426 17.428 ( 0.185 0.494 1.621) 1.705 17.484 ( 0.912 0.459 -1.635) 1.928 17.590 ( 1.760 3.086 4.062) 5.396 17.649 ( -5.178 -1.646 -3.859) 6.664 17.813 ( 0.329 -3.292 -2.213) 3.980 18.408 ( -0.161 0.703 0.511) 0.884 18.426 ( 1.053 0.535 -0.575) 1.313 18.657 ( -0.250 -0.691 -2.415) 2.524 18.704 ( -1.459 -2.040 2.320) 3.417 19.521 ( -0.456 2.005 -0.706) 2.174 19.569 ( 1.106 1.754 0.070) 2.075 19.990 ( -0.249 -6.813 7.546) 10.169 20.133 ( 14.607 -12.354 -3.799) 19.505 21.033 ( -1.702 -3.629 -9.097) 9.941 21.156 ( 0.882 -1.555 -5.640) 5.916 21.241 ( 0.894 -1.750 4.493) 4.904 21.266 ( 1.505 -5.238 5.808) 7.964 21.532 ( -1.479 -2.487 -1.242) 3.149 21.614 ( -0.109 -2.015 1.589) 2.569 21.913 ( -1.259 -3.342 -3.305) 4.866 21.962 ( -1.658 -0.542 -1.689) 2.428 22.028 ( 0.068 0.247 1.469) 1.491 22.098 ( 2.499 -2.596 2.899) 4.625 22.273 ( -2.849 1.466 0.449) 3.235 22.370 ( 1.864 -0.155 1.346) 2.305 22.433 ( -1.204 3.749 1.624) 4.259 22.525 ( -2.089 2.226 -1.557) 3.427 22.661 ( -1.303 1.843 -1.952) 2.984 22.795 ( 1.097 8.349 0.673) 8.447 22.914 ( 3.297 4.538 -0.234) 5.614 22.955 ( -1.463 7.560 2.197) 8.008 23.085 ( -2.391 2.992 -8.179) 9.031 23.269 ( -0.952 8.084 -0.634) 8.164 23.329 ( -0.324 12.346 1.700) 12.466 23.429 ( 2.265 8.583 7.030) 11.323 24.143 ( -6.912 1.782 -16.153) 17.660 24.351 ( -13.553 6.248 15.501) 21.518 ======================= Grid point 145 (66/75) ======================= q-point: ( 0.29 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 15.587 29.157 -8.179) 34.058 2.011 ( 19.203 25.443 -9.910) 33.381 2.227 ( 23.865 17.503 7.647) 30.567 2.484 ( 8.210 12.115 21.080) 25.662 2.909 ( -2.529 5.508 -5.067) 7.900 3.088 ( -19.626 2.334 3.619) 20.093 3.145 ( -2.522 12.512 -4.802) 13.637 3.281 ( 14.428 20.101 -7.205) 25.771 3.362 ( 1.929 5.539 -17.519) 18.475 3.530 ( -1.326 8.012 -6.811) 10.599 3.706 ( -8.420 6.025 -0.262) 10.357 3.796 ( -15.322 9.815 4.569) 18.761 3.886 ( -4.735 2.952 3.444) 6.557 4.035 ( 0.432 -1.526 1.702) 2.327 4.136 ( 1.591 3.723 11.121) 11.835 4.251 ( -0.847 1.809 6.431) 6.734 4.419 ( 1.753 -3.889 -2.313) 4.852 4.470 ( -0.332 0.598 1.208) 1.388 4.637 ( -3.737 4.703 -0.004) 6.007 4.646 ( 1.377 2.627 -2.117) 3.644 4.904 ( -4.326 1.867 2.960) 5.565 4.988 ( -6.229 -1.209 2.816) 6.942 5.086 ( 4.085 -2.492 -0.411) 4.803 5.257 ( -4.788 -4.904 -9.103) 11.395 5.332 ( 0.920 -4.777 2.574) 5.503 5.610 ( -2.418 -2.829 -0.301) 3.734 5.636 ( -1.670 -5.788 1.167) 6.136 5.689 ( 2.847 5.647 0.229) 6.328 5.838 ( 4.773 0.559 4.345) 6.478 5.992 ( -6.813 2.565 -0.937) 7.340 6.069 ( -3.783 -2.244 -2.092) 4.870 6.174 ( -3.135 -2.926 2.722) 5.079 6.259 ( -5.936 -3.059 0.977) 6.748 6.420 ( 6.233 -17.429 1.452) 18.567 6.601 ( -6.536 -7.428 7.676) 12.523 6.664 ( -6.888 0.825 -0.187) 6.940 6.737 ( -9.117 2.630 -3.512) 10.118 6.858 ( -8.259 1.798 -0.197) 8.454 6.866 ( -1.181 -3.835 -3.509) 5.330 7.126 ( -3.504 -15.793 7.821) 17.968 7.303 ( -14.810 -8.893 -1.117) 17.311 7.459 ( -1.557 -1.548 -2.556) 3.369 7.513 ( -6.131 -9.563 -6.954) 13.319 7.632 ( 4.191 -10.554 -8.867) 14.408 7.703 ( -2.635 -2.623 4.144) 5.568 7.832 ( 5.900 -4.548 5.329) 9.160 7.911 ( -1.895 -2.330 -3.975) 4.982 8.050 ( 0.339 -2.831 -2.869) 4.045 8.125 ( -3.780 -3.387 -0.526) 5.102 8.193 ( -1.052 -0.265 1.642) 1.968 8.302 ( -6.507 -9.272 9.671) 14.894 8.398 ( 3.962 0.627 -3.813) 5.535 8.421 ( 3.073 1.251 -4.813) 5.846 8.551 ( -6.095 -3.491 -0.072) 7.025 8.596 ( 1.214 -5.019 -4.297) 6.718 8.803 ( 6.931 -0.172 5.752) 9.009 8.835 ( -3.234 -3.220 -2.149) 5.044 9.041 ( -1.194 2.063 3.120) 3.927 9.077 ( -8.096 1.591 9.929) 12.910 9.200 ( -8.517 3.028 -2.855) 9.479 9.330 ( -1.544 0.467 4.133) 4.436 9.361 ( 0.160 3.532 -3.549) 5.010 9.455 ( -5.431 -2.762 -0.610) 6.124 9.511 ( 0.773 -9.710 -1.805) 9.907 9.545 ( -4.779 -3.243 2.417) 6.261 9.623 ( -10.929 2.453 -0.296) 11.205 9.677 ( -5.204 5.511 -1.617) 7.750 9.794 ( 4.660 -5.367 -10.889) 13.004 9.979 ( 5.831 1.446 -0.256) 6.013 10.071 ( -1.660 -3.290 -0.523) 3.722 10.159 ( 1.908 4.465 -6.700) 8.274 10.219 ( 1.547 -3.117 8.104) 8.819 10.363 ( -7.090 4.987 8.460) 12.113 10.441 ( -5.649 -2.751 -6.886) 9.322 10.591 ( 0.651 -3.269 -1.610) 3.702 10.688 ( 3.502 4.010 1.428) 5.512 10.707 ( -1.419 -1.279 -4.879) 5.239 10.754 ( 3.842 -1.658 1.344) 4.395 10.804 ( 4.145 0.266 -2.754) 4.984 10.848 ( -2.377 -2.125 1.295) 3.442 11.062 ( 1.273 8.216 1.746) 8.496 11.095 ( -3.872 6.395 8.480) 11.305 11.151 ( 10.208 5.880 -4.210) 12.510 11.250 ( 0.441 2.707 0.830) 2.865 11.436 ( 2.652 -6.313 7.272) 9.988 11.517 ( 2.916 -3.116 -9.770) 10.661 11.569 ( 8.780 -6.116 0.953) 10.743 11.662 ( 3.944 -1.077 -2.167) 4.627 11.771 ( 8.690 -4.581 -2.396) 10.111 11.820 ( 10.032 -8.100 3.302) 13.310 12.065 ( 10.724 -7.395 1.824) 13.153 12.121 ( -1.234 -2.691 -0.562) 3.013 12.264 ( 4.653 -5.089 5.033) 8.537 12.375 ( 4.362 0.595 -6.824) 8.121 12.480 ( -5.730 -5.684 4.522) 9.251 12.525 ( 1.198 -0.228 -0.372) 1.275 12.653 ( 9.833 -4.769 3.650) 11.522 12.750 ( 6.109 -2.356 -0.233) 6.551 12.799 ( -6.066 1.186 -2.433) 6.643 13.045 ( -2.480 4.777 1.983) 5.736 13.073 ( -1.480 3.967 -1.849) 4.621 13.134 ( 5.145 5.490 2.710) 7.997 13.266 ( 3.081 5.124 -1.073) 6.075 13.385 ( 2.333 -2.624 -4.357) 5.596 13.476 ( -1.874 -5.351 3.061) 6.443 13.732 ( -3.694 3.573 -6.444) 8.242 13.793 ( 2.669 3.796 2.181) 5.127 14.020 ( -5.256 5.567 7.120) 10.455 14.028 ( 2.457 6.409 0.830) 6.914 14.211 ( -3.201 10.119 1.766) 10.759 14.316 ( 3.094 0.838 5.019) 5.955 14.450 ( 1.015 1.068 1.406) 2.037 14.612 ( 4.585 -0.231 -6.428) 7.899 14.732 ( 7.573 -2.611 0.632) 8.035 14.786 ( 1.089 0.419 2.931) 3.154 14.902 ( -5.943 -3.376 -2.108) 7.153 14.974 ( 1.487 -2.892 -1.355) 3.523 15.133 ( -0.718 1.747 -3.123) 3.650 15.351 ( -0.779 2.218 0.763) 2.471 15.471 ( 0.650 4.831 -5.282) 7.188 15.475 ( 0.571 0.465 -1.997) 2.129 15.548 ( -1.965 3.356 2.862) 4.828 15.657 ( 2.362 -0.543 -0.595) 2.496 15.694 ( 2.538 3.287 -0.383) 4.171 15.782 ( 3.469 3.329 -0.370) 4.823 15.857 ( 0.055 4.725 1.316) 4.905 15.919 ( 3.231 -3.134 -5.806) 7.347 15.957 ( 5.509 -2.828 2.629) 6.727 15.984 ( -2.366 4.833 1.525) 5.593 16.158 ( 1.263 1.210 -3.384) 3.809 16.242 ( 0.265 -1.785 -0.035) 1.805 16.307 ( 2.409 4.440 0.654) 5.093 16.448 ( 2.152 4.165 2.164) 5.163 16.553 ( 2.082 1.772 2.053) 3.419 16.725 ( -0.678 3.829 3.735) 5.392 16.760 ( 0.903 0.817 -1.798) 2.172 16.840 ( -6.621 3.364 2.589) 7.864 16.932 ( -0.917 -3.954 -0.206) 4.064 16.979 ( 0.988 -3.020 -5.362) 6.233 17.116 ( -4.937 -0.058 1.757) 5.240 17.238 ( 4.422 1.959 2.425) 5.410 17.273 ( 3.848 -1.690 -1.269) 4.390 17.417 ( -1.010 1.564 -1.066) 2.145 17.424 ( -1.622 -2.416 2.899) 4.108 17.500 ( 0.248 -1.846 -1.872) 2.640 17.530 ( -2.600 -1.990 -0.397) 3.298 17.670 ( 0.466 1.241 4.919) 5.095 17.768 ( -0.063 -1.384 -6.336) 6.486 18.416 ( 0.517 1.111 0.446) 1.305 18.437 ( 0.610 0.977 -0.435) 1.231 18.642 ( 0.588 -0.959 -1.451) 1.836 18.686 ( -2.063 -1.971 1.238) 3.110 19.518 ( 0.438 2.435 0.282) 2.490 19.582 ( 0.677 2.463 -1.041) 2.758 20.089 ( 2.443 -7.933 9.441) 12.571 20.347 ( 11.818 -18.394 -6.839) 22.907 20.956 ( 0.393 0.971 -3.264) 3.428 21.118 ( 1.258 -1.759 -7.160) 7.480 21.294 ( 0.574 -2.790 5.302) 6.019 21.345 ( 2.501 -5.467 3.689) 7.054 21.504 ( -1.476 -3.001 0.495) 3.381 21.594 ( -1.768 -0.648 -1.890) 2.669 21.885 ( -0.108 -4.424 -0.250) 4.433 21.938 ( 0.085 0.294 -0.305) 0.432 22.013 ( -1.529 -0.729 -1.240) 2.099 22.128 ( -1.259 -1.905 -0.463) 2.330 22.240 ( -0.042 3.499 -0.045) 3.499 22.402 ( -4.376 1.817 0.248) 4.745 22.429 ( -0.151 1.146 3.601) 3.782 22.475 ( 0.349 4.029 0.348) 4.059 22.645 ( 0.530 3.628 -0.117) 3.668 22.778 ( -3.462 9.981 -3.587) 11.157 22.872 ( -0.140 3.895 -1.742) 4.269 23.000 ( 3.717 5.183 2.345) 6.796 23.082 ( 1.519 5.797 0.961) 6.069 23.264 ( 2.958 8.367 -2.964) 9.357 23.339 ( -2.132 10.635 4.959) 11.926 23.532 ( 4.736 9.575 3.662) 11.292 23.838 ( -11.337 -0.175 -13.512) 17.639 24.177 ( -17.714 7.644 9.574) 21.538 ======================= Grid point 146 (67/75) ======================= q-point: ( 0.43 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 22.995 23.678 -2.807) 33.126 2.297 ( 19.123 19.705 -3.612) 27.695 2.551 ( -3.983 13.134 0.255) 13.727 2.593 ( -22.580 17.174 1.150) 28.393 2.834 ( 8.454 7.322 9.023) 14.370 2.928 ( 3.073 4.545 5.072) 7.471 3.151 ( 2.376 8.979 9.426) 13.233 3.276 ( 6.603 4.537 -14.831) 16.856 3.390 ( -5.685 7.861 -10.936) 14.619 3.425 ( -0.061 12.546 -4.966) 13.494 3.502 ( -12.095 15.190 11.569) 22.602 3.663 ( -3.557 11.779 -8.744) 15.095 3.872 ( 9.859 8.625 -1.268) 13.160 4.054 ( -7.903 4.723 4.430) 10.217 4.186 ( 4.579 1.019 -1.978) 5.091 4.266 ( -3.838 1.499 5.043) 6.512 4.413 ( -0.178 -2.444 -1.727) 2.997 4.480 ( -7.696 3.506 4.213) 9.448 4.537 ( 7.405 -1.718 -0.987) 7.666 4.675 ( -0.852 0.023 -3.333) 3.441 4.892 ( -3.633 3.571 8.577) 9.976 4.979 ( -5.684 2.019 -11.369) 12.870 5.051 ( 3.815 -2.638 7.417) 8.748 5.155 ( 0.409 -7.413 -1.792) 7.638 5.486 ( 3.270 -5.236 1.769) 6.422 5.539 ( -5.950 -3.850 2.095) 7.390 5.609 ( 5.457 -1.079 -0.122) 5.563 5.719 ( -2.093 6.458 1.030) 6.866 5.866 ( -4.136 -2.245 0.199) 4.710 5.902 ( -1.320 -0.724 -0.268) 1.529 5.986 ( 1.628 -5.576 -1.176) 5.927 6.095 ( -5.379 -7.608 -2.219) 9.578 6.277 ( 4.485 -3.648 4.613) 7.397 6.419 ( -5.509 -3.079 -1.526) 6.493 6.492 ( -4.342 2.389 -4.902) 6.971 6.509 ( -3.382 -8.547 -0.262) 9.195 6.731 ( -3.922 0.850 1.935) 4.455 6.789 ( -6.636 -3.238 -0.993) 7.450 6.857 ( 7.140 -0.288 4.679) 8.542 7.019 ( -6.695 -4.168 -2.517) 8.278 7.185 ( -1.485 -15.246 9.014) 17.773 7.295 ( -3.898 -13.982 -9.552) 17.376 7.577 ( 8.573 -5.238 4.532) 11.021 7.673 ( 5.669 -11.760 -1.354) 13.125 7.711 ( -0.945 -8.713 1.441) 8.882 7.813 ( -5.429 -5.922 -4.283) 9.104 7.914 ( -2.633 -5.663 -1.499) 6.423 7.936 ( -8.237 -6.961 0.215) 10.787 8.064 ( 1.673 1.757 0.026) 2.426 8.119 ( -3.407 3.949 -2.985) 6.009 8.371 ( 3.074 -4.849 4.725) 7.436 8.441 ( 5.531 2.138 -6.409) 8.731 8.459 ( -0.231 -3.342 3.591) 4.911 8.536 ( -5.123 -5.313 2.600) 7.825 8.601 ( 6.473 -6.541 3.337) 9.788 8.733 ( -3.938 -4.675 -3.439) 7.013 8.948 ( 3.452 0.117 -4.685) 5.821 8.989 ( -9.371 2.065 9.489) 13.495 9.076 ( 1.232 -0.321 5.396) 5.544 9.094 ( 1.144 -0.219 0.264) 1.194 9.311 ( -1.921 4.517 0.966) 5.003 9.353 ( 0.206 0.898 0.061) 0.923 9.388 ( -1.675 0.477 -3.897) 4.268 9.424 ( -5.118 -3.623 -3.132) 7.009 9.486 ( -1.937 -7.319 1.750) 7.770 9.535 ( -0.275 -5.526 -6.951) 8.885 9.616 ( -3.147 5.196 10.535) 12.161 9.714 ( 1.390 -1.797 -15.474) 15.640 10.036 ( 2.883 -5.227 -1.676) 6.200 10.099 ( -2.922 -3.081 2.843) 5.110 10.189 ( 6.619 7.177 -2.675) 10.123 10.268 ( 0.547 6.188 4.576) 7.715 10.302 ( -4.883 5.648 4.845) 8.900 10.409 ( -0.340 -1.937 -3.576) 4.081 10.541 ( 0.972 -2.083 0.771) 2.424 10.637 ( -2.885 6.324 -2.098) 7.261 10.710 ( -0.311 -3.644 0.604) 3.706 10.763 ( -1.478 2.363 -4.036) 4.905 10.839 ( 5.803 -0.163 -3.134) 6.597 10.902 ( -2.344 -0.087 4.402) 4.988 11.055 ( 1.248 8.133 -0.607) 8.251 11.082 ( -3.522 5.170 4.625) 7.780 11.255 ( 3.175 8.602 -1.670) 9.320 11.267 ( 0.605 0.656 -0.701) 1.135 11.498 ( 4.686 -2.966 -6.192) 8.313 11.528 ( -2.920 -2.663 7.094) 8.121 11.697 ( 5.170 -6.709 -1.861) 8.672 11.738 ( 1.458 -6.953 1.934) 7.363 11.900 ( 12.287 -2.345 0.032) 12.509 12.027 ( 7.159 -7.709 4.469) 11.430 12.103 ( -3.731 -6.675 -1.655) 7.824 12.117 ( -1.592 -5.707 -3.022) 6.651 12.332 ( 1.392 -0.326 0.036) 1.431 12.378 ( -1.361 -1.760 -0.599) 2.304 12.470 ( 0.098 -5.360 5.194) 7.465 12.564 ( -0.292 0.254 -6.006) 6.018 12.669 ( 0.632 -0.302 3.116) 3.194 12.734 ( -0.120 -0.017 -1.572) 1.576 12.874 ( 2.208 -0.471 3.601) 4.251 12.971 ( -4.355 2.846 -2.717) 5.869 13.144 ( 7.206 0.199 3.819) 8.158 13.268 ( -2.057 0.683 -2.302) 3.162 13.288 ( 5.791 2.495 3.140) 7.044 13.371 ( -0.053 -1.817 -3.863) 4.269 13.496 ( 0.698 -4.330 5.416) 6.969 13.600 ( -3.635 0.569 -7.305) 8.179 13.876 ( 6.321 4.703 -1.118) 7.958 13.973 ( -6.714 4.645 4.992) 9.569 14.094 ( 2.669 10.411 1.882) 10.911 14.153 ( -3.216 11.367 -0.635) 11.830 14.412 ( 3.078 0.805 5.565) 6.410 14.504 ( 0.774 1.042 2.058) 2.434 14.583 ( -0.460 4.175 -1.955) 4.632 14.686 ( -3.969 -3.031 -10.433) 11.567 14.868 ( 6.405 -6.618 -0.307) 9.215 14.914 ( 0.605 -4.652 5.539) 7.259 14.986 ( -0.471 -1.140 2.567) 2.848 15.053 ( -1.648 2.415 -6.742) 7.348 15.367 ( -0.376 3.136 3.868) 4.994 15.410 ( -0.299 3.840 -5.763) 6.932 15.489 ( 2.685 2.794 -2.677) 4.710 15.519 ( -2.947 2.104 2.352) 4.318 15.703 ( 1.148 -0.199 2.404) 2.672 15.716 ( 0.866 3.166 -0.086) 3.283 15.834 ( -1.144 1.129 1.345) 2.096 15.837 ( 1.352 1.138 -4.463) 4.800 15.886 ( 0.714 3.061 -1.168) 3.353 15.932 ( -3.637 6.382 0.838) 7.393 16.115 ( 5.164 -1.368 2.638) 5.958 16.164 ( 1.682 3.270 -2.727) 4.579 16.253 ( 0.281 -1.392 1.177) 1.844 16.291 ( -1.940 0.158 -2.266) 2.988 16.556 ( 4.609 0.980 3.539) 5.893 16.604 ( 1.407 -0.474 0.449) 1.552 16.729 ( -2.914 5.074 5.888) 8.301 16.751 ( -0.540 6.226 -4.660) 7.796 16.812 ( 0.201 -0.108 4.553) 4.559 16.867 ( -2.938 -0.338 -3.226) 4.376 16.982 ( 4.994 -2.104 -3.539) 6.472 17.060 ( -4.919 -1.243 1.962) 5.440 17.319 ( 1.394 -2.584 1.947) 3.523 17.320 ( 2.442 -2.184 -1.504) 3.605 17.401 ( -0.021 2.335 2.598) 3.493 17.436 ( 0.944 -3.545 1.922) 4.142 17.451 ( -1.052 -0.434 -4.031) 4.188 17.495 ( -3.318 -2.923 -0.093) 4.423 17.706 ( -1.152 0.011 4.735) 4.873 17.726 ( 1.746 -0.217 -5.951) 6.206 18.430 ( 0.542 1.358 0.338) 1.500 18.439 ( -0.039 1.320 -0.307) 1.356 18.647 ( 1.074 -1.380 -0.933) 1.983 18.662 ( -1.571 -1.670 0.829) 2.438 19.540 ( 0.980 2.846 1.395) 3.317 19.570 ( -0.530 2.897 -1.763) 3.432 20.237 ( 2.482 -10.402 12.343) 16.332 20.370 ( 1.924 -15.221 -13.048) 20.140 20.993 ( 1.711 0.282 4.763) 5.069 21.065 ( 0.083 -1.179 -7.210) 7.306 21.366 ( 1.825 -6.928 5.030) 8.754 21.408 ( 1.154 -7.873 0.298) 7.963 21.489 ( -0.307 -1.270 1.202) 1.775 21.534 ( -2.029 0.241 -3.008) 3.636 21.901 ( 0.921 -3.563 2.002) 4.189 21.944 ( -0.726 -2.027 -1.390) 2.563 21.981 ( 2.170 1.275 -1.865) 3.132 22.054 ( -5.169 0.710 -0.499) 5.241 22.268 ( 1.970 4.519 0.785) 4.992 22.317 ( -2.978 4.099 -1.161) 5.198 22.460 ( -0.897 0.838 2.446) 2.737 22.466 ( -0.282 2.442 -0.881) 2.611 22.675 ( 0.926 5.595 1.621) 5.898 22.700 ( -1.116 7.828 -1.845) 8.120 22.908 ( 4.422 5.642 -1.199) 7.268 22.987 ( -4.671 6.840 0.682) 8.311 23.218 ( 7.953 4.287 7.210) 11.559 23.299 ( 4.388 8.738 -5.415) 11.177 23.340 ( -3.165 9.328 6.550) 11.829 23.508 ( -10.949 4.931 -10.814) 16.160 23.703 ( 10.991 4.072 0.117) 11.722 23.933 ( -16.040 6.690 3.910) 17.814 ======================= Grid point 150 (68/75) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 3.614 25.390 -5.651) 26.261 2.203 ( -3.614 25.390 5.651) 26.261 2.538 ( 1.703 23.779 -13.520) 27.407 2.538 ( -1.703 23.779 13.520) 27.407 3.126 ( 1.806 3.607 -14.605) 15.151 3.126 ( -1.806 3.607 14.605) 15.151 3.459 ( 1.706 -0.556 -7.664) 7.871 3.459 ( -1.706 -0.556 7.664) 7.871 3.673 ( 4.380 4.137 -5.297) 8.022 3.673 ( -4.380 4.137 5.297) 8.022 3.849 ( -2.058 7.935 -9.250) 12.360 3.849 ( 2.058 7.935 9.250) 12.360 4.031 ( 1.999 2.791 -5.701) 6.654 4.031 ( -1.999 2.791 5.701) 6.654 4.330 ( -3.616 -0.827 -0.518) 3.745 4.330 ( 3.616 -0.827 0.518) 3.745 4.514 ( -1.239 -6.228 -2.467) 6.812 4.514 ( 1.239 -6.228 2.467) 6.812 4.703 ( -0.503 4.862 -1.921) 5.252 4.703 ( 0.503 4.862 1.921) 5.252 4.866 ( -4.223 -6.687 -2.700) 8.357 4.866 ( 4.223 -6.687 2.700) 8.357 5.168 ( -4.983 -2.739 -5.302) 7.775 5.168 ( 4.983 -2.739 5.302) 7.775 5.377 ( 5.472 2.371 -14.237) 15.436 5.377 ( -5.472 2.371 14.237) 15.436 5.518 ( 5.242 -2.783 -5.509) 8.098 5.518 ( -5.242 -2.783 5.509) 8.098 5.896 ( -3.911 0.493 -6.572) 7.663 5.896 ( 3.911 0.493 6.572) 7.663 6.039 ( -0.774 1.740 -9.449) 9.639 6.039 ( 0.774 1.740 9.449) 9.639 6.497 ( 1.911 -3.035 -6.175) 7.141 6.497 ( -1.911 -3.035 6.175) 7.141 6.693 ( 3.381 -4.135 -7.104) 8.888 6.693 ( -3.381 -4.135 7.104) 8.888 6.857 ( -4.889 -14.032 -5.948) 16.005 6.857 ( 4.889 -14.032 5.948) 16.005 7.058 ( -12.445 0.941 -2.438) 12.716 7.058 ( 12.445 0.941 2.438) 12.716 7.332 ( -6.165 -1.312 -2.916) 6.945 7.332 ( 6.165 -1.312 2.916) 6.945 7.592 ( 6.376 0.813 -7.916) 10.197 7.592 ( -6.376 0.813 7.916) 10.197 7.900 ( -0.896 -5.161 -6.440) 8.302 7.900 ( 0.896 -5.161 6.440) 8.302 7.952 ( -4.152 -4.302 -3.630) 6.994 7.952 ( 4.152 -4.302 3.630) 6.994 8.104 ( -14.820 0.224 1.914) 14.945 8.104 ( 14.820 0.224 -1.914) 14.945 8.327 ( -3.213 1.090 -3.578) 4.931 8.327 ( 3.213 1.090 3.578) 4.931 8.452 ( 6.977 -1.512 -11.018) 13.129 8.452 ( -6.977 -1.512 11.018) 13.129 8.755 ( 0.176 -1.891 -6.676) 6.941 8.755 ( -0.176 -1.891 6.676) 6.941 8.943 ( 4.705 -0.792 -11.842) 12.767 8.943 ( -4.705 -0.792 11.842) 12.767 9.108 ( 0.936 -3.224 -2.400) 4.127 9.108 ( -0.936 -3.224 2.400) 4.127 9.270 ( 5.147 0.252 -4.188) 6.640 9.270 ( -5.147 0.252 4.188) 6.640 9.544 ( -1.883 -2.034 -4.020) 4.883 9.544 ( 1.883 -2.034 4.020) 4.883 9.734 ( 6.440 -3.056 -9.264) 11.689 9.734 ( -6.440 -3.056 9.264) 11.689 9.869 ( 2.788 3.134 -5.111) 6.612 9.869 ( -2.788 3.134 5.111) 6.612 10.094 ( -5.593 -2.330 -1.890) 6.347 10.094 ( 5.593 -2.330 1.890) 6.347 10.297 ( -4.688 -4.249 -2.621) 6.848 10.297 ( 4.688 -4.249 2.621) 6.848 10.392 ( -7.164 -1.956 -9.243) 11.857 10.392 ( 7.164 -1.956 9.243) 11.857 10.558 ( -2.781 3.953 0.408) 4.851 10.558 ( 2.781 3.953 -0.408) 4.851 10.657 ( -6.964 -1.918 -9.040) 11.572 10.657 ( 6.964 -1.918 9.040) 11.572 10.810 ( -0.876 0.875 -3.245) 3.474 10.810 ( 0.876 0.875 3.245) 3.474 10.991 ( -4.924 -3.361 -0.835) 6.020 10.991 ( 4.924 -3.361 0.835) 6.020 11.065 ( 3.538 -1.410 -4.782) 6.113 11.065 ( -3.538 -1.410 4.782) 6.113 11.270 ( -2.437 -2.883 -8.071) 8.910 11.270 ( 2.437 -2.883 8.071) 8.910 11.438 ( -6.051 -2.024 -4.359) 7.727 11.438 ( 6.051 -2.024 4.359) 7.727 11.632 ( -2.197 1.637 -2.902) 3.991 11.632 ( 2.197 1.637 2.902) 3.991 11.732 ( -4.239 -4.312 -6.664) 8.998 11.732 ( 4.239 -4.312 6.664) 8.998 12.177 ( -4.694 2.525 0.105) 5.331 12.177 ( 4.694 2.525 -0.105) 5.331 12.463 ( 1.517 -0.422 -4.286) 4.566 12.463 ( -1.517 -0.422 4.286) 4.566 12.580 ( 5.231 -0.787 -2.495) 5.849 12.580 ( -5.231 -0.787 2.495) 5.849 13.044 ( -3.288 -1.344 -1.446) 3.835 13.044 ( 3.288 -1.344 1.446) 3.835 13.178 ( -0.041 1.189 -3.250) 3.461 13.178 ( 0.041 1.189 3.250) 3.461 13.352 ( 0.374 -1.480 -4.162) 4.433 13.352 ( -0.374 -1.480 4.162) 4.433 13.587 ( -4.513 3.211 -7.617) 9.418 13.587 ( 4.513 3.211 7.617) 9.418 13.935 ( -2.140 -0.524 -2.823) 3.581 13.935 ( 2.140 -0.524 2.823) 3.581 14.194 ( 2.180 3.347 -0.969) 4.110 14.194 ( -2.180 3.347 0.969) 4.110 14.434 ( 1.335 6.145 -4.358) 7.651 14.434 ( -1.335 6.145 4.358) 7.651 14.497 ( 2.176 1.641 -1.658) 3.190 14.497 ( -2.176 1.641 1.658) 3.190 14.879 ( -1.714 -4.988 -2.451) 5.816 14.879 ( 1.714 -4.988 2.451) 5.816 15.084 ( 3.055 8.116 -3.919) 9.517 15.084 ( -3.055 8.116 3.919) 9.517 15.422 ( -1.509 -1.055 -4.775) 5.118 15.422 ( 1.509 -1.055 4.775) 5.118 15.643 ( 4.189 5.275 -4.774) 8.256 15.643 ( -4.189 5.275 4.774) 8.256 15.762 ( -0.461 0.399 -1.735) 1.839 15.762 ( 0.461 0.399 1.735) 1.839 15.787 ( -0.751 0.255 -2.492) 2.615 15.787 ( 0.751 0.255 2.492) 2.615 15.873 ( -1.314 2.837 -2.216) 3.833 15.873 ( 1.314 2.837 2.216) 3.833 16.124 ( -0.475 3.546 -5.358) 6.443 16.124 ( 0.475 3.546 5.358) 6.443 16.282 ( -3.753 1.296 -0.387) 3.989 16.282 ( 3.753 1.296 0.387) 3.989 16.488 ( 1.436 2.381 -1.477) 3.148 16.488 ( -1.436 2.381 1.477) 3.148 16.709 ( -2.328 -4.942 -2.915) 6.192 16.709 ( 2.328 -4.942 2.915) 6.192 16.913 ( 0.321 2.347 -1.081) 2.604 16.913 ( -0.321 2.347 1.081) 2.604 17.171 ( 0.228 -0.502 -2.304) 2.369 17.171 ( -0.228 -0.502 2.304) 2.369 17.192 ( 1.680 1.641 -0.867) 2.503 17.192 ( -1.680 1.641 0.867) 2.503 17.382 ( -1.141 -1.589 -0.062) 1.957 17.382 ( 1.141 -1.589 0.062) 1.957 17.557 ( -1.666 1.287 -5.010) 5.434 17.557 ( 1.666 1.287 5.010) 5.434 17.747 ( 1.876 0.466 -2.523) 3.179 17.747 ( -1.876 0.466 2.523) 3.179 18.408 ( 0.478 -0.517 -1.090) 1.297 18.408 ( -0.478 -0.517 1.090) 1.297 18.662 ( 1.062 -1.324 -3.363) 3.767 18.662 ( -1.062 -1.324 3.363) 3.767 19.584 ( 0.309 2.272 -2.228) 3.198 19.584 ( -0.309 2.272 2.228) 3.198 19.838 ( 4.060 -6.091 -4.956) 8.840 19.838 ( -4.060 -6.091 4.956) 8.840 21.076 ( -0.848 -1.329 -5.545) 5.765 21.076 ( 0.848 -1.329 5.545) 5.765 21.178 ( 1.038 -1.501 -6.440) 6.694 21.178 ( -1.038 -1.501 6.440) 6.694 21.532 ( -1.193 -1.792 -2.656) 3.419 21.532 ( 1.193 -1.792 2.656) 3.419 21.957 ( -2.108 -1.285 -4.948) 5.530 21.957 ( 2.108 -1.285 4.948) 5.530 22.005 ( 0.669 0.516 -3.937) 4.027 22.005 ( -0.669 0.516 3.937) 4.027 22.326 ( 4.044 -1.377 -2.290) 4.847 22.326 ( -4.044 -1.377 2.290) 4.847 22.512 ( 1.304 1.699 -1.695) 2.731 22.512 ( -1.304 1.699 1.695) 2.731 22.803 ( -3.503 1.749 -4.929) 6.295 22.803 ( 3.503 1.749 4.929) 6.295 23.067 ( -1.325 6.523 -4.225) 7.884 23.067 ( 1.325 6.523 4.225) 7.884 23.289 ( -2.059 2.597 -6.029) 6.880 23.289 ( 2.059 2.597 6.029) 6.880 23.632 ( -0.278 13.682 -2.273) 13.873 23.632 ( 0.278 13.682 2.273) 13.873 24.342 ( -0.072 -2.999 -12.319) 12.678 24.342 ( 0.072 -2.999 12.319) 12.678 ======================= Grid point 152 (69/75) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 10.719 22.787 1.305) 25.216 2.327 ( 12.155 25.515 -0.927) 28.277 2.449 ( 3.246 25.837 -10.050) 27.912 2.659 ( 1.812 20.665 9.083) 22.646 3.060 ( 3.418 7.575 -7.211) 11.003 3.239 ( -1.694 2.368 9.744) 10.170 3.375 ( -1.473 4.903 -4.683) 6.938 3.496 ( 5.097 -1.231 -2.310) 5.730 3.646 ( -0.484 8.558 -9.421) 12.737 3.700 ( 2.991 1.198 3.355) 4.651 3.837 ( -2.497 7.123 -0.458) 7.561 3.877 ( 0.156 3.183 0.535) 3.232 3.988 ( -4.098 -0.260 -5.222) 6.643 4.088 ( 3.385 4.618 11.519) 12.864 4.246 ( -0.900 -0.452 -4.737) 4.843 4.291 ( -6.369 2.997 -1.424) 7.181 4.423 ( -9.436 -5.175 -1.818) 10.914 4.522 ( -2.261 0.222 0.804) 2.410 4.604 ( -2.831 -0.563 7.369) 7.914 4.726 ( -0.741 2.799 0.907) 3.034 4.851 ( 2.058 -0.353 -2.381) 3.166 4.991 ( 2.379 -9.195 -0.395) 9.505 5.133 ( 4.597 -3.095 0.329) 5.552 5.215 ( -2.733 2.430 -1.647) 4.011 5.362 ( -2.596 -7.275 -2.173) 8.024 5.439 ( -5.316 2.492 6.840) 9.014 5.477 ( 5.982 -8.252 0.598) 10.210 5.631 ( 8.352 2.758 5.499) 10.373 5.791 ( -2.249 -0.303 2.577) 3.434 5.940 ( -6.173 1.412 3.398) 7.186 5.993 ( 3.802 -0.267 -1.582) 4.127 6.162 ( -0.072 0.014 8.376) 8.377 6.386 ( -8.513 -4.815 -2.898) 10.201 6.455 ( -7.158 2.589 -6.525) 10.026 6.642 ( -13.270 -0.018 1.717) 13.381 6.670 ( -4.577 -14.311 -0.496) 15.033 6.733 ( 2.660 -5.352 -0.433) 5.992 6.778 ( -2.598 -1.155 -0.765) 2.945 6.892 ( -5.647 -10.518 -0.232) 11.940 7.148 ( -10.470 2.273 0.716) 10.738 7.305 ( 6.266 -5.595 -2.350) 8.723 7.412 ( -1.736 -8.649 -2.007) 9.047 7.492 ( -5.722 2.432 -4.291) 7.554 7.587 ( -1.904 -2.793 -1.279) 3.615 7.672 ( -14.335 -6.848 -1.402) 15.948 7.784 ( -6.583 -0.939 -1.952) 6.930 7.915 ( -5.970 -0.402 7.054) 9.250 8.002 ( -1.963 -1.568 3.333) 4.174 8.052 ( 1.418 -4.618 -0.092) 4.832 8.159 ( 0.835 -2.366 -1.686) 3.023 8.320 ( -6.043 -1.188 -1.116) 6.259 8.393 ( 6.272 0.198 1.811) 6.532 8.461 ( 2.396 -0.664 -1.071) 2.707 8.478 ( 1.056 -1.910 -8.193) 8.479 8.635 ( -4.054 -1.425 -0.044) 4.297 8.777 ( -2.776 1.038 1.442) 3.296 8.877 ( -1.526 3.791 -6.518) 7.693 8.966 ( 4.072 -2.393 0.186) 4.727 9.091 ( -0.817 -7.570 5.762) 9.548 9.180 ( 2.049 -8.510 3.321) 9.362 9.314 ( -1.031 -1.642 1.930) 2.736 9.344 ( 3.329 6.725 5.149) 9.101 9.430 ( -4.182 -5.632 -1.399) 7.153 9.554 ( -2.089 3.112 -4.074) 5.536 9.634 ( -8.637 1.693 1.734) 8.970 9.732 ( 3.274 0.551 -2.497) 4.154 9.853 ( -4.860 -0.306 2.367) 5.415 9.909 ( -7.422 2.628 0.359) 7.882 9.977 ( 4.518 0.072 0.847) 4.597 10.105 ( -11.453 -1.605 -8.927) 14.609 10.163 ( -0.548 4.088 -3.761) 5.582 10.305 ( 5.472 -4.266 8.192) 10.735 10.343 ( -2.305 -2.586 -4.070) 5.344 10.449 ( -5.645 0.819 4.020) 6.979 10.484 ( 3.409 -2.449 -4.251) 5.974 10.580 ( 1.956 -5.445 0.391) 5.798 10.660 ( 1.635 3.358 2.014) 4.244 10.752 ( -3.842 -3.873 1.992) 5.808 10.783 ( 2.114 0.456 -5.897) 6.281 10.897 ( 5.167 0.888 0.972) 5.332 10.954 ( 1.416 -2.565 2.953) 4.160 11.036 ( 2.146 -2.108 -2.436) 3.871 11.093 ( 0.195 0.468 5.859) 5.880 11.180 ( 7.229 -7.043 3.035) 10.539 11.310 ( 8.877 -4.088 -0.264) 9.777 11.356 ( 5.282 1.537 2.676) 6.117 11.466 ( 12.245 -3.411 -1.905) 12.853 11.551 ( 0.701 -1.727 -5.555) 5.859 11.601 ( 5.444 5.438 0.211) 7.697 11.643 ( 1.292 -1.054 -3.467) 3.847 11.746 ( 5.385 -2.086 -0.568) 5.803 11.946 ( 9.844 -6.920 6.597) 13.722 12.153 ( 2.781 -0.274 5.643) 6.298 12.232 ( 0.168 2.467 -1.400) 2.842 12.442 ( -8.151 -2.912 7.975) 11.769 12.485 ( 5.790 1.037 -3.280) 6.735 12.548 ( 0.088 -0.932 -2.595) 2.759 12.641 ( 8.733 -0.267 -7.734) 11.669 12.935 ( -6.840 -0.841 -0.772) 6.934 13.059 ( -0.276 1.303 0.927) 1.623 13.159 ( -0.134 -0.977 -3.476) 3.613 13.212 ( 0.473 1.092 1.366) 1.811 13.340 ( 1.961 0.220 -0.691) 2.090 13.361 ( -2.757 0.909 2.530) 3.850 13.474 ( -1.323 5.383 -4.293) 7.011 13.718 ( 3.011 -2.845 4.610) 6.198 13.874 ( -2.302 0.780 -1.497) 2.855 14.023 ( 4.686 -0.444 1.344) 4.895 14.143 ( -3.261 3.381 4.546) 6.537 14.299 ( 4.139 2.928 1.017) 5.171 14.395 ( 2.419 3.564 -2.978) 5.237 14.440 ( 0.247 8.006 -0.279) 8.014 14.530 ( 1.663 3.310 4.157) 5.568 14.584 ( 5.809 -1.200 -0.946) 6.007 14.802 ( -5.427 -4.140 1.578) 7.005 14.902 ( -0.996 -3.987 1.077) 4.248 15.027 ( -3.136 6.398 1.873) 7.367 15.168 ( 5.364 6.011 -2.486) 8.431 15.359 ( -1.198 -4.390 -3.025) 5.465 15.484 ( 1.242 2.359 2.051) 3.363 15.630 ( -1.307 6.978 2.228) 7.441 15.651 ( 1.523 5.125 -6.018) 8.050 15.692 ( -0.394 -1.369 -8.226) 8.348 15.730 ( 1.465 3.510 -1.348) 4.035 15.804 ( -0.537 0.449 -0.552) 0.891 15.839 ( 2.606 -1.609 1.191) 3.286 15.866 ( 2.132 1.968 0.264) 2.913 15.921 ( 1.741 3.717 1.956) 4.547 16.091 ( 0.149 4.194 0.575) 4.236 16.163 ( -4.339 -0.680 3.282) 5.483 16.216 ( 1.457 0.234 -4.270) 4.518 16.351 ( 3.958 4.721 2.283) 6.570 16.509 ( 1.219 3.577 0.991) 3.907 16.545 ( 3.844 2.337 0.537) 4.530 16.632 ( -3.497 -6.782 0.961) 7.690 16.781 ( 1.950 -2.213 2.631) 3.953 16.898 ( -0.824 0.618 -1.203) 1.584 16.913 ( -0.293 2.253 0.898) 2.444 17.096 ( -3.595 3.715 -3.625) 6.314 17.162 ( -3.749 -1.154 3.203) 5.064 17.174 ( 0.574 -2.049 -1.418) 2.557 17.251 ( 2.944 1.801 0.540) 3.493 17.365 ( -0.588 -1.785 0.421) 1.926 17.416 ( 2.246 -1.482 -0.048) 2.691 17.497 ( -0.775 1.321 -2.428) 2.870 17.638 ( 0.957 0.654 5.827) 5.941 17.660 ( -5.625 2.749 -0.656) 6.295 17.776 ( 2.332 -0.549 -4.750) 5.320 18.409 ( 0.561 -0.253 -0.025) 0.615 18.423 ( 1.010 -0.569 0.132) 1.167 18.644 ( 0.238 -0.556 -2.475) 2.547 18.665 ( -1.720 -1.668 2.548) 3.498 19.570 ( 0.483 2.762 -1.488) 3.174 19.610 ( 1.235 2.265 0.879) 2.725 19.853 ( 0.213 -5.989 5.165) 7.912 19.912 ( 8.562 -8.710 -4.152) 12.900 21.013 ( -0.847 0.822 -3.459) 3.655 21.120 ( 1.329 -1.866 -4.812) 5.330 21.173 ( 1.780 -2.274 3.432) 4.485 21.216 ( -1.543 -2.031 6.213) 6.717 21.490 ( -1.072 -1.339 -1.775) 2.469 21.574 ( 0.903 -2.220 1.978) 3.107 21.870 ( -2.394 -0.141 -3.754) 4.455 21.964 ( -0.928 0.553 -1.637) 1.961 22.020 ( -0.411 -1.075 0.393) 1.216 22.053 ( 2.483 -1.509 2.892) 4.099 22.287 ( -1.050 -0.047 0.495) 1.162 22.372 ( 3.268 -0.152 -1.589) 3.637 22.490 ( -2.939 1.864 3.198) 4.727 22.559 ( 3.168 0.427 0.538) 3.242 22.687 ( -3.893 2.249 -4.693) 6.499 22.885 ( 1.295 -1.462 1.166) 2.274 23.009 ( -1.178 7.703 -1.312) 7.903 23.140 ( 2.265 6.412 3.189) 7.511 23.191 ( -2.290 6.825 -3.835) 8.157 23.360 ( 0.658 1.545 3.397) 3.790 23.597 ( -2.153 12.009 0.099) 12.201 23.658 ( -0.204 11.784 2.273) 12.003 24.162 ( -6.734 0.068 -12.046) 13.801 24.372 ( -8.015 -2.866 9.578) 12.814 ======================= Grid point 153 (70/75) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 11.250 27.513 -7.360) 30.622 2.535 ( 16.026 21.944 -4.550) 27.551 2.635 ( 19.740 19.826 3.671) 28.217 2.794 ( 3.331 15.323 11.884) 19.675 3.086 ( 2.096 13.252 -1.922) 13.554 3.179 ( -7.468 4.737 1.984) 9.063 3.351 ( -3.316 6.462 2.864) 7.807 3.509 ( -5.201 8.335 -6.923) 12.018 3.651 ( 9.596 6.702 -5.963) 13.136 3.664 ( 0.040 8.831 -8.096) 11.981 3.834 ( -0.071 6.530 -0.121) 6.531 3.917 ( 5.758 -2.651 1.434) 6.499 3.938 ( 2.000 -0.535 2.782) 3.468 4.056 ( -15.336 9.332 0.457) 17.958 4.192 ( 2.959 0.226 0.604) 3.029 4.271 ( -1.829 0.398 3.211) 3.717 4.301 ( -0.783 -2.938 -0.282) 3.054 4.491 ( -2.877 0.785 2.239) 3.729 4.651 ( 1.080 -3.058 1.463) 3.558 4.709 ( -3.480 0.069 0.144) 3.484 4.811 ( 0.482 -4.879 -5.683) 7.506 4.970 ( -4.369 -3.102 2.279) 5.823 5.136 ( -0.155 1.890 -4.360) 4.755 5.177 ( -1.522 -1.024 -5.345) 5.651 5.300 ( -1.365 -0.233 6.140) 6.294 5.467 ( -1.192 -6.860 2.909) 7.547 5.533 ( 4.207 -5.287 -3.347) 7.540 5.767 ( -2.220 -2.055 4.394) 5.335 5.853 ( -4.577 -0.182 6.270) 7.766 5.894 ( 0.430 -5.128 7.555) 9.141 6.055 ( 2.623 -2.707 -1.719) 4.143 6.112 ( -7.408 3.207 -1.903) 8.294 6.170 ( -10.634 -6.569 -0.488) 12.509 6.232 ( -9.362 0.925 -1.994) 9.617 6.459 ( -7.269 -4.718 9.560) 12.903 6.659 ( -0.117 -9.635 -0.729) 9.663 6.710 ( -7.307 -8.201 3.588) 11.555 6.733 ( -7.571 -2.062 -1.226) 7.942 6.854 ( 1.717 -1.800 3.313) 4.143 6.957 ( -3.076 4.140 -2.451) 5.710 7.161 ( -16.868 -5.470 -5.837) 18.669 7.269 ( -7.347 -9.608 -10.739) 16.175 7.334 ( -1.922 -10.813 -1.237) 11.052 7.528 ( -1.415 -0.021 -0.327) 1.452 7.592 ( -0.357 -9.679 -1.856) 9.862 7.719 ( -1.904 -0.392 1.668) 2.562 7.861 ( -8.468 -8.907 -1.396) 12.369 7.937 ( -5.373 -4.594 5.951) 9.240 8.073 ( 1.419 1.804 1.694) 2.853 8.204 ( -2.793 -1.662 9.393) 9.939 8.238 ( 2.361 2.606 3.012) 4.630 8.387 ( 0.067 -2.250 -7.097) 7.445 8.413 ( -3.607 -0.128 -3.981) 5.374 8.475 ( 3.040 1.075 -0.155) 3.228 8.659 ( -5.063 -9.230 1.369) 10.616 8.734 ( -2.966 10.804 -4.926) 12.239 8.772 ( 3.496 -3.149 0.839) 4.780 9.032 ( -0.670 -5.469 0.579) 5.540 9.105 ( -2.322 -3.192 -1.220) 4.132 9.207 ( -7.945 -3.421 2.580) 9.027 9.262 ( 6.598 1.469 -0.123) 6.761 9.315 ( -3.622 -3.632 0.102) 5.130 9.464 ( 1.449 1.573 -0.585) 2.217 9.518 ( -4.526 6.696 1.525) 8.225 9.571 ( 3.844 8.238 -0.063) 9.091 9.720 ( -4.938 1.733 -5.987) 7.952 9.769 ( -6.289 1.586 -5.959) 8.808 9.831 ( -3.527 8.687 6.346) 11.322 9.893 ( 0.013 -5.158 -4.645) 6.942 10.039 ( -0.602 -4.773 1.110) 4.937 10.063 ( -3.274 -1.599 -2.584) 4.467 10.314 ( 3.656 1.704 0.824) 4.117 10.344 ( -3.357 -1.878 -0.415) 3.869 10.467 ( 0.845 -8.089 0.567) 8.153 10.554 ( -0.579 5.669 3.857) 6.881 10.607 ( 0.627 -4.112 -3.516) 5.447 10.671 ( 7.621 -3.328 -2.363) 8.645 10.746 ( 3.093 2.436 5.642) 6.880 10.828 ( 2.043 1.291 -1.991) 3.131 10.870 ( 0.617 2.913 -2.168) 3.683 11.083 ( 5.835 -4.047 1.554) 7.269 11.110 ( -3.730 -3.160 6.292) 7.967 11.177 ( 9.104 -2.970 1.427) 9.682 11.320 ( 3.819 -5.262 2.479) 6.958 11.363 ( 1.358 -2.604 -0.840) 3.055 11.465 ( 0.692 5.563 1.615) 5.834 11.525 ( 3.988 -1.269 -4.906) 6.449 11.619 ( 6.057 -0.619 -6.429) 8.854 11.701 ( 6.757 -2.115 0.368) 7.090 11.765 ( 7.661 3.371 3.099) 8.925 11.885 ( 13.025 -8.420 -2.951) 15.788 12.049 ( -2.637 -6.219 -0.245) 6.760 12.207 ( 3.414 0.059 6.104) 6.994 12.372 ( -4.005 -1.876 5.425) 6.999 12.406 ( 5.863 -1.219 3.001) 6.698 12.473 ( 1.398 -4.455 -3.431) 5.794 12.595 ( 7.351 1.217 1.008) 7.519 12.770 ( 7.962 0.874 -2.571) 8.412 12.789 ( -8.302 0.916 -0.188) 8.355 13.060 ( -1.648 -3.099 -2.876) 4.538 13.118 ( -0.549 1.626 1.029) 2.001 13.214 ( 1.538 1.570 -2.872) 3.616 13.359 ( 0.855 -0.139 2.427) 2.577 13.386 ( -0.806 5.067 3.200) 6.047 13.422 ( 0.846 2.516 -4.870) 5.546 13.739 ( -1.459 -2.993 -6.100) 6.950 13.857 ( 1.966 1.657 2.209) 3.389 14.089 ( -2.535 -2.476 4.514) 5.738 14.171 ( 3.860 7.652 3.639) 9.312 14.357 ( 1.663 4.749 2.175) 5.482 14.411 ( 1.554 4.245 -2.959) 5.403 14.479 ( 1.222 2.535 4.158) 5.021 14.602 ( 3.251 1.546 0.684) 3.664 14.663 ( 3.762 -3.336 -1.263) 5.184 14.743 ( -3.498 -2.671 2.834) 5.235 14.858 ( -1.617 0.047 -3.900) 4.222 14.998 ( -2.484 3.885 2.776) 5.383 15.189 ( 0.945 3.063 -6.574) 7.314 15.340 ( -0.173 -3.895 2.869) 4.841 15.499 ( 0.559 3.019 -0.184) 3.076 15.569 ( -1.107 3.621 -7.683) 8.565 15.636 ( -1.506 3.294 2.577) 4.445 15.666 ( 2.326 2.398 -5.365) 6.320 15.787 ( 1.753 3.731 -0.555) 4.160 15.796 ( 1.579 -2.501 -0.059) 2.958 15.873 ( 3.093 0.437 0.303) 3.139 15.929 ( 1.833 1.512 -0.472) 2.422 15.955 ( 2.655 3.487 0.618) 4.426 16.096 ( -4.152 1.036 1.936) 4.697 16.128 ( 2.239 0.874 1.997) 3.124 16.227 ( 2.865 -0.308 -3.438) 4.486 16.433 ( 0.089 6.397 -2.163) 6.753 16.502 ( 0.444 -0.713 1.822) 2.007 16.575 ( -0.251 1.192 3.705) 3.900 16.684 ( 3.925 -2.998 3.865) 6.271 16.824 ( -0.211 3.733 3.460) 5.094 16.868 ( -0.819 -2.453 -1.385) 2.933 16.933 ( 1.602 2.215 1.245) 3.004 16.993 ( -3.637 4.782 -4.322) 7.401 17.117 ( -3.373 0.247 1.720) 3.794 17.174 ( 0.169 -4.816 0.124) 4.821 17.298 ( 1.610 -0.004 -0.401) 1.659 17.368 ( 0.718 -1.386 0.450) 1.624 17.448 ( 0.574 -3.238 -0.029) 3.288 17.480 ( 0.614 2.966 -1.171) 3.247 17.550 ( -5.161 4.575 -0.414) 6.909 17.690 ( -0.500 0.070 4.341) 4.371 17.755 ( 1.338 -0.199 -5.924) 6.076 18.425 ( 1.171 -0.012 -0.102) 1.175 18.441 ( 0.751 -0.347 0.271) 0.871 18.630 ( 0.463 -0.227 -1.801) 1.874 18.651 ( -1.843 -1.265 1.741) 2.834 19.577 ( 1.466 3.208 -0.787) 3.614 19.635 ( 0.828 2.765 0.063) 2.887 19.927 ( 2.193 -7.276 5.851) 9.591 20.032 ( 8.174 -11.973 -4.623) 15.216 20.989 ( 0.299 1.920 -0.667) 2.055 21.088 ( 1.013 -1.234 -5.823) 6.038 21.236 ( -1.907 -2.562 5.325) 6.209 21.242 ( 1.602 -3.861 3.329) 5.344 21.466 ( -0.387 -0.619 -0.105) 0.737 21.588 ( -0.447 -1.145 -0.476) 1.318 21.812 ( -0.752 -1.439 -1.921) 2.515 21.939 ( -1.460 -0.832 -0.799) 1.861 21.999 ( -0.090 0.099 -1.417) 1.424 22.089 ( 0.236 -1.690 -0.685) 1.839 22.307 ( 2.344 2.679 0.225) 3.567 22.416 ( 0.781 0.017 1.185) 1.419 22.455 ( -3.454 1.756 3.281) 5.077 22.585 ( -1.988 5.042 -2.931) 6.161 22.640 ( 3.780 -2.799 0.943) 4.797 22.856 ( -2.442 -1.614 -2.559) 3.887 23.006 ( 0.493 8.600 0.531) 8.630 23.164 ( 0.031 8.492 2.296) 8.797 23.202 ( 1.427 4.945 2.175) 5.588 23.395 ( 2.953 2.635 -0.715) 4.021 23.559 ( -3.012 9.465 1.816) 10.097 23.649 ( -2.771 3.974 -1.324) 5.023 23.938 ( -6.200 7.607 -6.907) 12.001 24.249 ( -12.618 -0.049 5.216) 13.653 ======================= Grid point 154 (71/75) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 16.321 22.903 -6.170) 28.792 2.772 ( 13.405 22.831 -1.072) 26.497 2.877 ( -7.723 16.258 6.792) 19.238 2.970 ( 1.483 15.719 3.003) 16.072 3.040 ( -2.670 13.205 0.619) 13.487 3.105 ( 2.784 10.988 1.396) 11.421 3.307 ( -0.478 6.663 1.224) 6.791 3.423 ( -3.585 8.247 -4.156) 9.906 3.592 ( 5.921 11.038 -4.150) 13.195 3.692 ( 3.022 9.993 -2.839) 10.819 3.802 ( -12.370 10.728 5.787) 17.367 3.862 ( -4.154 4.713 -4.171) 7.541 4.009 ( 7.466 6.075 -0.733) 9.653 4.075 ( 0.972 -0.843 2.616) 2.915 4.213 ( 2.916 1.111 -1.452) 3.442 4.285 ( -0.432 -0.815 2.947) 3.088 4.330 ( 4.501 -2.631 -0.007) 5.214 4.478 ( -3.737 -1.016 0.191) 3.877 4.551 ( -3.443 0.531 1.657) 3.858 4.652 ( 0.495 -2.481 -8.477) 8.847 4.906 ( 6.941 -8.332 5.233) 12.041 4.937 ( -2.963 -1.879 6.196) 7.121 5.017 ( -2.623 1.926 -7.702) 8.361 5.112 ( -5.969 1.167 -2.832) 6.709 5.387 ( 3.322 -4.612 -0.122) 5.685 5.434 ( -2.322 -5.877 3.670) 7.308 5.548 ( 4.100 -4.339 -1.693) 6.205 5.718 ( -9.993 -10.520 2.073) 14.657 5.787 ( -0.830 -5.762 -1.591) 6.035 5.865 ( -6.276 -4.482 0.734) 7.746 5.948 ( -4.439 1.147 4.211) 6.225 5.986 ( -2.151 5.593 -4.730) 7.634 6.149 ( 0.028 -6.984 6.011) 9.215 6.192 ( 1.767 -4.838 -1.616) 5.398 6.457 ( -3.436 -3.947 5.386) 7.510 6.524 ( -6.046 -2.785 -7.408) 9.959 6.659 ( -3.289 -9.699 6.986) 12.397 6.685 ( -1.082 -6.784 0.655) 6.901 6.889 ( -3.999 -5.651 5.875) 9.080 6.930 ( 2.794 2.730 -2.680) 4.737 6.976 ( 0.318 -0.629 0.922) 1.161 7.040 ( -5.184 -6.545 -10.939) 13.761 7.345 ( 5.007 -15.127 1.718) 16.027 7.513 ( -7.502 -15.195 -2.165) 17.083 7.559 ( 3.842 -0.962 -2.750) 4.822 7.621 ( -5.963 -2.478 0.510) 6.478 7.783 ( 1.429 -5.139 -0.234) 5.339 7.859 ( -7.978 -5.000 2.533) 9.750 8.132 ( 3.712 5.351 1.666) 6.722 8.220 ( -4.893 5.702 1.846) 7.737 8.303 ( 0.921 -1.097 3.380) 3.670 8.349 ( 0.978 -4.427 -0.631) 4.577 8.456 ( 5.761 -4.578 4.582) 8.668 8.526 ( 0.623 2.778 1.109) 3.056 8.560 ( -2.336 -5.070 -1.779) 5.859 8.619 ( -1.589 5.416 -6.312) 8.467 8.905 ( 3.386 -5.167 7.449) 9.677 8.976 ( -0.782 -1.065 -0.611) 1.456 9.064 ( 0.651 -3.248 -3.875) 5.098 9.133 ( -6.534 -1.024 1.972) 6.902 9.275 ( -0.173 -2.463 0.323) 2.490 9.332 ( -1.331 2.987 -1.801) 3.733 9.431 ( -0.031 2.261 -4.120) 4.699 9.475 ( -3.987 0.510 -3.827) 5.549 9.490 ( -3.030 7.662 3.315) 8.881 9.536 ( -2.568 5.697 -7.348) 9.646 9.747 ( 3.579 3.945 -3.767) 6.524 9.791 ( -3.155 6.613 0.771) 7.367 9.926 ( 2.034 -1.970 0.962) 2.991 9.981 ( -3.370 -5.009 -2.004) 6.361 10.113 ( 4.952 -6.419 8.518) 11.760 10.279 ( -3.951 -4.700 -5.597) 8.308 10.443 ( 5.256 0.671 2.763) 5.976 10.480 ( 0.736 -1.966 2.516) 3.277 10.559 ( 1.871 8.063 0.935) 8.330 10.601 ( 4.404 -2.206 0.081) 4.926 10.701 ( -7.240 2.500 -0.007) 7.660 10.761 ( -3.135 -0.958 -6.957) 7.691 10.869 ( 5.259 1.390 2.994) 6.209 10.946 ( -0.318 2.977 0.232) 3.003 11.093 ( 4.552 -0.864 5.225) 6.983 11.223 ( -2.386 0.659 -1.538) 2.914 11.242 ( 5.508 -0.521 0.651) 5.570 11.339 ( -2.940 -2.360 -1.168) 3.947 11.426 ( 3.928 -4.154 5.538) 7.960 11.479 ( 1.767 0.550 -1.415) 2.329 11.570 ( 1.500 -4.006 2.123) 4.776 11.633 ( 0.188 -2.383 -7.630) 7.996 11.788 ( 8.310 -6.165 -1.230) 10.420 11.928 ( -0.505 -7.463 -3.196) 8.134 11.948 ( -0.161 -2.152 7.909) 8.199 12.019 ( 1.778 -4.760 -5.654) 7.601 12.322 ( 3.668 -3.444 3.063) 5.891 12.366 ( -1.409 -0.567 2.350) 2.798 12.424 ( -0.290 3.173 5.550) 6.399 12.523 ( -0.067 -2.051 -8.371) 8.619 12.690 ( 2.649 2.199 1.871) 3.918 12.743 ( 0.119 1.556 2.445) 2.901 12.856 ( 4.745 -1.417 1.967) 5.328 12.985 ( -4.440 -2.091 -2.659) 5.582 13.141 ( 2.562 -0.263 2.562) 3.633 13.221 ( 0.532 -2.687 -5.314) 5.979 13.350 ( -0.622 2.651 1.687) 3.203 13.383 ( -0.658 1.474 -1.130) 1.970 13.475 ( 3.735 3.098 4.888) 6.888 13.613 ( -4.401 0.422 -7.624) 8.813 13.943 ( 6.343 0.237 -1.410) 6.502 14.038 ( -6.666 -0.837 3.961) 7.799 14.301 ( 4.753 8.258 4.053) 10.355 14.368 ( -1.376 6.925 -0.247) 7.065 14.433 ( 2.800 2.771 1.489) 4.211 14.522 ( -0.709 0.220 -2.040) 2.171 14.639 ( -1.221 -0.854 3.092) 3.432 14.643 ( -1.904 1.463 -1.485) 2.823 14.744 ( 2.963 -3.494 0.833) 4.657 14.813 ( -0.766 -1.532 -4.781) 5.078 15.020 ( 0.880 3.173 6.456) 7.247 15.112 ( -1.244 3.147 -7.856) 8.554 15.396 ( 0.628 -1.742 7.284) 7.516 15.477 ( -0.267 1.218 -7.842) 7.940 15.534 ( 2.687 3.809 -0.927) 4.753 15.590 ( -3.593 3.594 -0.019) 5.082 15.692 ( 1.690 -0.776 1.376) 2.314 15.743 ( -2.291 -1.847 -1.890) 3.498 15.846 ( 2.422 3.185 0.035) 4.001 15.890 ( -1.928 2.430 -1.493) 3.443 15.953 ( 3.470 1.433 1.299) 3.972 16.017 ( -2.481 0.428 0.359) 2.543 16.106 ( 5.624 1.865 2.428) 6.404 16.173 ( 0.653 0.107 0.065) 0.664 16.248 ( 2.687 0.563 -2.426) 3.664 16.322 ( -6.102 1.553 -2.216) 6.675 16.578 ( 1.692 1.272 3.702) 4.264 16.602 ( 0.611 1.146 0.227) 1.319 16.775 ( 2.030 -2.051 3.615) 4.626 16.822 ( -0.697 0.887 -1.772) 2.101 16.863 ( -1.141 2.447 3.750) 4.620 16.902 ( -1.388 5.138 -4.944) 7.264 16.995 ( 3.677 2.623 1.701) 4.827 17.070 ( -3.132 1.231 -0.480) 3.400 17.200 ( 1.429 -5.469 3.704) 6.758 17.277 ( -1.802 -1.977 -3.960) 4.778 17.395 ( 1.775 -2.320 -0.428) 2.953 17.422 ( -2.324 -2.554 0.703) 3.524 17.490 ( 1.386 4.197 -1.748) 4.754 17.499 ( -1.648 4.749 1.465) 5.236 17.709 ( -0.146 -0.219 1.901) 1.920 17.728 ( 0.227 -0.056 -2.982) 2.991 18.443 ( 0.915 0.054 -0.190) 0.936 18.450 ( -0.087 -0.070 0.273) 0.295 18.628 ( 0.912 -0.363 -1.408) 1.716 18.636 ( -1.394 -0.724 1.348) 2.069 19.604 ( 1.745 3.395 0.218) 3.824 19.633 ( -0.791 3.210 -0.601) 3.360 20.025 ( 1.582 -9.400 7.023) 11.840 20.082 ( 2.864 -11.866 -6.534) 13.845 21.008 ( 0.794 0.978 2.338) 2.656 21.049 ( 0.008 -0.461 -4.635) 4.658 21.255 ( -0.796 -3.756 4.241) 5.720 21.273 ( 0.397 -4.636 -0.827) 4.726 21.485 ( 1.523 0.553 2.271) 2.789 21.547 ( -2.047 0.525 -2.949) 3.628 21.819 ( 1.612 -3.428 1.518) 4.081 21.881 ( -2.724 -3.398 -2.549) 5.047 22.016 ( 2.480 1.636 -0.522) 3.016 22.061 ( -2.092 0.074 -0.772) 2.231 22.349 ( 1.842 3.190 0.228) 3.691 22.384 ( -2.129 2.290 -0.612) 3.186 22.477 ( 0.401 1.402 4.342) 4.580 22.530 ( -1.500 3.464 -2.739) 4.664 22.727 ( 3.635 -0.933 1.566) 4.066 22.790 ( -2.497 0.419 -1.485) 2.935 23.044 ( 4.344 6.889 -0.823) 8.185 23.130 ( -5.788 6.105 2.197) 8.695 23.303 ( 6.004 4.140 5.447) 9.103 23.457 ( 5.202 2.082 -4.423) 7.138 23.498 ( -7.516 2.697 -6.325) 10.186 23.519 ( -4.205 7.073 3.040) 8.772 23.903 ( 4.794 9.856 0.390) 10.967 24.055 ( -11.515 4.339 1.211) 12.365 ======================= Grid point 158 (72/75) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 1.649 11.600 -2.593) 12.000 2.615 ( -1.649 11.600 2.593) 12.000 2.948 ( 0.700 14.009 -5.071) 14.915 2.948 ( -0.700 14.009 5.071) 14.915 3.192 ( -3.264 -0.464 -4.616) 5.672 3.192 ( 3.264 -0.464 4.616) 5.672 3.405 ( -0.078 -2.044 -1.932) 2.813 3.405 ( 0.078 -2.044 1.932) 2.813 3.772 ( -2.821 6.183 0.361) 6.806 3.772 ( 2.821 6.183 -0.361) 6.806 3.913 ( -2.235 -3.682 -7.561) 8.702 3.913 ( 2.235 -3.682 7.561) 8.702 4.041 ( 0.868 0.714 -3.769) 3.933 4.041 ( -0.868 0.714 3.769) 3.933 4.207 ( -1.378 -6.350 -0.517) 6.518 4.207 ( 1.378 -6.350 0.517) 6.518 4.455 ( -1.518 -1.004 -2.533) 3.119 4.455 ( 1.518 -1.004 2.533) 3.119 4.784 ( 0.976 2.341 -3.366) 4.215 4.784 ( -0.976 2.341 3.366) 4.215 4.833 ( 3.890 0.528 -3.648) 5.359 4.833 ( -3.890 0.528 3.649) 5.359 5.126 ( -0.766 0.213 -6.747) 6.793 5.126 ( 0.766 0.213 6.747) 6.793 5.292 ( 3.623 -4.611 -11.702) 13.089 5.292 ( -3.623 -4.611 11.702) 13.089 5.535 ( 3.016 -0.237 -3.550) 4.664 5.535 ( -3.016 -0.237 3.550) 4.664 5.978 ( -5.568 5.722 -2.495) 8.364 5.978 ( 5.568 5.722 2.495) 8.364 6.164 ( 1.469 8.049 -3.512) 8.904 6.164 ( -1.469 8.049 3.512) 8.904 6.375 ( 4.387 -7.845 -7.451) 11.675 6.375 ( -4.387 -7.845 7.451) 11.675 6.558 ( 3.326 -7.577 -4.455) 9.398 6.558 ( -3.326 -7.577 4.455) 9.398 6.663 ( 4.302 -2.432 -2.399) 5.493 6.663 ( -4.302 -2.432 2.399) 5.493 7.135 ( -5.565 4.214 -4.025) 8.058 7.135 ( 5.565 4.214 4.025) 8.058 7.306 ( 2.587 -0.344 -1.306) 2.918 7.306 ( -2.587 -0.344 1.306) 2.918 7.526 ( 2.070 -6.794 -1.674) 7.297 7.526 ( -2.070 -6.794 1.674) 7.297 7.823 ( -3.885 1.496 0.535) 4.197 7.823 ( 3.885 1.496 -0.535) 4.197 7.919 ( -3.640 -1.849 -0.165) 4.086 7.919 ( 3.640 -1.849 0.165) 4.086 8.085 ( -7.279 -1.262 1.617) 7.563 8.085 ( 7.279 -1.262 -1.617) 7.563 8.342 ( 0.093 0.083 -0.352) 0.374 8.342 ( -0.093 0.083 0.352) 0.374 8.499 ( 4.049 5.408 -2.742) 7.291 8.499 ( -4.049 5.408 2.742) 7.291 8.744 ( 1.294 -0.782 -0.913) 1.766 8.744 ( -1.294 -0.782 0.913) 1.766 8.856 ( -1.219 -6.147 -1.008) 6.347 8.856 ( 1.219 -6.147 1.008) 6.347 9.011 ( -3.168 -1.663 0.030) 3.578 9.011 ( 3.168 -1.663 -0.030) 3.578 9.329 ( -0.989 1.450 -1.309) 2.189 9.329 ( 0.989 1.450 1.309) 2.189 9.527 ( -3.114 0.144 -4.058) 5.117 9.527 ( 3.114 0.144 4.058) 5.117 9.734 ( 3.993 2.800 -5.928) 7.677 9.734 ( -3.993 2.800 5.928) 7.677 9.905 ( 4.115 -0.226 -5.713) 7.044 9.905 ( -4.115 -0.226 5.713) 7.044 9.997 ( -3.393 -5.031 -3.829) 7.175 9.997 ( 3.393 -5.031 3.829) 7.175 10.251 ( -2.316 1.037 -7.069) 7.511 10.251 ( 2.316 1.037 7.069) 7.511 10.340 ( -3.744 -2.046 -5.305) 6.808 10.340 ( 3.744 -2.046 5.305) 6.808 10.531 ( 0.106 -5.295 -4.986) 7.274 10.531 ( -0.106 -5.295 4.986) 7.274 10.713 ( -0.112 6.745 -3.169) 7.453 10.713 ( 0.112 6.745 3.169) 7.453 10.844 ( -8.188 -3.153 -2.548) 9.137 10.844 ( 8.188 -3.153 2.548) 9.137 10.937 ( 0.750 2.594 -3.198) 4.186 10.937 ( -0.750 2.594 3.198) 4.186 11.074 ( -3.989 -0.995 -6.567) 7.747 11.074 ( 3.989 -0.995 6.567) 7.747 11.202 ( -2.748 -0.403 0.404) 2.807 11.202 ( 2.748 -0.403 -0.404) 2.807 11.346 ( -4.799 -5.199 -1.619) 7.258 11.346 ( 4.799 -5.199 1.619) 7.258 11.651 ( -1.840 -0.848 -1.508) 2.526 11.651 ( 1.840 -0.848 1.508) 2.526 11.718 ( -1.806 1.998 -1.565) 3.115 11.718 ( 1.806 1.998 1.565) 3.115 12.260 ( 2.613 3.760 -1.611) 4.853 12.260 ( -2.613 3.760 1.611) 4.853 12.435 ( 2.802 -1.803 -3.805) 5.058 12.435 ( -2.802 -1.803 3.805) 5.058 12.571 ( 1.992 -0.165 -1.035) 2.251 12.571 ( -1.992 -0.165 1.035) 2.251 12.996 ( -2.175 -1.814 -0.545) 2.884 12.996 ( 2.175 -1.814 0.545) 2.884 13.210 ( -1.360 1.360 -1.239) 2.288 13.210 ( 1.360 1.360 1.239) 2.288 13.331 ( -1.386 -0.737 -1.343) 2.066 13.331 ( 1.386 -0.737 1.343) 2.066 13.641 ( -0.585 1.813 -2.363) 3.036 13.641 ( 0.585 1.813 2.363) 3.036 13.907 ( -0.738 -1.554 -1.225) 2.112 13.907 ( 0.738 -1.554 1.225) 2.112 14.255 ( -1.874 1.913 -0.490) 2.722 14.255 ( 1.874 1.913 0.490) 2.722 14.460 ( -1.273 -0.347 -3.347) 3.598 14.460 ( 1.273 -0.347 3.347) 3.598 14.589 ( 0.067 2.954 -0.949) 3.103 14.589 ( -0.067 2.954 0.949) 3.103 14.816 ( -0.696 -0.831 -1.188) 1.608 14.816 ( 0.696 -0.831 1.188) 1.608 15.219 ( -2.749 4.641 -1.769) 5.676 15.219 ( 2.749 4.641 1.769) 5.676 15.362 ( -3.950 -3.656 -4.775) 7.195 15.362 ( 3.950 -3.656 4.775) 7.195 15.676 ( 0.218 -0.580 -2.178) 2.264 15.676 ( -0.218 -0.580 2.178) 2.264 15.795 ( 0.211 1.281 -2.364) 2.697 15.795 ( -0.211 1.281 2.364) 2.697 15.805 ( -0.241 1.229 -3.634) 3.844 15.805 ( 0.241 1.229 3.634) 3.844 15.930 ( -0.648 2.232 -1.389) 2.708 15.930 ( 0.648 2.232 1.389) 2.708 16.190 ( 0.175 1.083 -0.340) 1.148 16.190 ( -0.175 1.083 0.340) 1.148 16.349 ( -0.134 5.782 -7.810) 9.718 16.349 ( 0.134 5.782 7.810) 9.718 16.486 ( 2.091 -3.778 -6.805) 8.059 16.486 ( -2.091 -3.778 6.805) 8.059 16.621 ( -1.616 -2.073 -2.617) 3.709 16.621 ( 1.616 -2.073 2.617) 3.709 16.967 ( -0.220 2.091 -0.228) 2.115 16.967 ( 0.220 2.091 0.228) 2.115 17.135 ( 0.887 -1.467 -1.236) 2.114 17.135 ( -0.887 -1.467 1.236) 2.114 17.218 ( -1.092 0.169 -0.317) 1.149 17.218 ( 1.092 0.169 0.317) 1.149 17.362 ( -1.152 -0.260 -0.260) 1.209 17.362 ( 1.152 -0.260 0.260) 1.209 17.573 ( -1.004 0.334 -2.241) 2.479 17.573 ( 1.004 0.334 2.241) 2.479 17.765 ( 1.844 0.658 -1.356) 2.382 17.765 ( -1.844 0.658 1.356) 2.382 18.402 ( 0.188 -0.029 -0.615) 0.644 18.402 ( -0.188 -0.029 0.615) 0.644 18.638 ( 0.606 -0.765 -1.446) 1.745 18.638 ( -0.606 -0.765 1.446) 1.745 19.642 ( 1.151 3.339 -3.022) 4.649 19.642 ( -1.151 3.339 3.022) 4.649 19.726 ( 2.331 -4.616 -3.886) 6.469 19.726 ( -2.331 -4.616 3.886) 6.469 21.074 ( 0.370 0.617 -3.059) 3.142 21.074 ( -0.370 0.617 3.059) 3.142 21.143 ( 0.791 -1.438 -3.992) 4.316 21.143 ( -0.791 -1.438 3.992) 4.316 21.506 ( -0.590 -0.604 -1.111) 1.395 21.506 ( 0.590 -0.604 1.111) 1.395 21.940 ( -0.860 -0.300 -1.894) 2.102 21.940 ( 0.860 -0.300 1.894) 2.102 22.020 ( 0.306 0.546 -2.162) 2.251 22.020 ( -0.306 0.546 2.162) 2.251 22.289 ( 0.077 -1.365 -0.609) 1.497 22.289 ( -0.077 -1.365 0.609) 1.497 22.546 ( 0.572 1.086 -0.537) 1.340 22.546 ( -0.572 1.086 0.537) 1.340 22.821 ( -1.374 0.231 -2.040) 2.470 22.821 ( 1.374 0.231 2.040) 2.470 23.160 ( -0.592 2.244 -2.232) 3.220 23.160 ( 0.592 2.244 2.232) 3.220 23.339 ( -0.705 1.567 -1.551) 2.315 23.339 ( 0.705 1.567 1.551) 2.315 23.871 ( -0.503 7.658 -2.048) 7.943 23.871 ( 0.503 7.658 2.048) 7.943 24.254 ( -0.513 -4.034 -5.487) 6.829 24.254 ( 0.513 -4.034 5.487) 6.829 ======================= Grid point 160 (73/75) ======================= q-point: ( 0.14 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 7.827 11.680 0.852) 14.086 2.710 ( 8.967 9.239 -0.250) 12.877 2.922 ( 3.399 17.632 -1.645) 18.032 3.035 ( 3.986 15.750 -2.750) 16.478 3.144 ( 2.821 -3.399 0.324) 4.429 3.311 ( 6.194 -4.788 0.451) 7.842 3.387 ( -1.130 0.926 1.341) 1.983 3.448 ( 2.110 0.848 3.327) 4.030 3.726 ( 0.787 4.951 -3.153) 5.922 3.804 ( 2.555 1.452 -10.885) 11.275 3.866 ( 4.856 0.650 -0.689) 4.948 3.940 ( 1.735 -2.449 -7.767) 8.327 3.982 ( -5.300 3.484 1.429) 6.502 4.098 ( -0.027 -4.169 8.347) 9.331 4.184 ( -2.258 -0.758 2.285) 3.301 4.256 ( 0.198 -7.520 1.310) 7.636 4.397 ( -1.758 3.664 -1.941) 4.503 4.488 ( -0.143 -2.866 2.045) 3.523 4.700 ( -7.264 4.941 1.300) 8.881 4.755 ( -3.743 -0.892 1.331) 4.072 4.800 ( -0.928 -0.444 -3.467) 3.616 4.846 ( 2.314 -3.550 -4.641) 6.285 5.131 ( 5.099 2.291 -3.140) 6.411 5.218 ( -0.975 0.019 -8.233) 8.290 5.225 ( -1.408 -4.336 6.429) 7.881 5.320 ( 0.697 -6.394 5.849) 8.694 5.564 ( -3.450 4.141 11.786) 12.960 5.624 ( 3.860 -2.763 9.310) 10.450 5.824 ( -8.504 7.955 2.548) 11.920 6.019 ( -4.722 -2.265 1.707) 5.509 6.080 ( -7.152 6.698 0.270) 9.802 6.171 ( -3.790 -0.481 2.901) 4.797 6.256 ( -6.771 -1.658 0.386) 6.982 6.362 ( -7.055 -11.122 -3.394) 13.601 6.514 ( -0.076 2.277 -0.639) 2.366 6.603 ( 4.807 -5.772 -5.180) 9.125 6.617 ( -4.276 -1.231 3.254) 5.513 6.722 ( 5.858 -6.594 -4.516) 9.909 6.911 ( -12.169 13.052 -1.710) 17.927 7.197 ( -6.987 -2.943 1.998) 7.841 7.204 ( -3.816 -4.631 -3.193) 6.797 7.277 ( -3.785 -4.542 -4.115) 7.203 7.412 ( -10.636 -2.576 0.919) 10.982 7.482 ( -5.573 -3.762 -2.146) 7.058 7.706 ( -9.659 5.934 1.572) 11.445 7.784 ( -7.644 0.962 0.691) 7.735 7.883 ( -9.048 -3.647 7.029) 12.024 7.920 ( -12.709 -5.800 1.552) 14.056 8.024 ( 8.928 1.770 -2.355) 9.402 8.072 ( 7.276 -3.909 -3.730) 9.063 8.361 ( 0.265 2.635 -2.317) 3.518 8.406 ( 4.609 -0.394 -2.972) 5.498 8.437 ( -3.489 3.494 0.369) 4.951 8.517 ( 2.714 2.261 -4.633) 5.826 8.670 ( -6.815 3.537 -3.841) 8.586 8.764 ( -5.377 -2.675 -0.487) 6.025 8.860 ( -2.672 -3.658 0.376) 4.546 8.915 ( -0.878 -3.440 1.095) 3.715 8.945 ( 4.763 -4.515 3.626) 7.498 8.982 ( 7.692 -6.335 6.227) 11.751 9.352 ( -4.130 5.587 -4.194) 8.115 9.412 ( 2.785 2.210 4.080) 5.412 9.454 ( -1.177 1.556 -3.787) 4.260 9.532 ( 0.583 -5.368 1.108) 5.512 9.686 ( -4.545 4.723 3.398) 7.383 9.791 ( -0.233 -1.820 1.967) 2.690 9.930 ( 2.356 9.913 1.648) 10.321 9.945 ( 3.974 -1.141 -1.913) 4.556 9.959 ( 2.056 1.205 -3.787) 4.475 10.070 ( -5.812 0.866 -4.951) 7.684 10.130 ( 1.043 -5.233 3.495) 6.378 10.181 ( -1.188 -6.702 -5.657) 8.851 10.398 ( -5.785 -0.236 0.149) 5.792 10.435 ( 1.957 5.590 5.025) 7.767 10.456 ( -5.083 -1.559 -1.388) 5.495 10.512 ( 2.751 -3.297 0.660) 4.345 10.609 ( -1.785 -3.967 -1.229) 4.520 10.682 ( -2.179 -7.363 -3.679) 8.515 10.790 ( 2.120 6.341 2.023) 6.985 10.922 ( 4.414 -4.210 -0.145) 6.101 10.956 ( 2.679 3.331 2.060) 4.745 11.011 ( 3.237 -0.682 1.312) 3.559 11.067 ( 0.715 2.937 2.261) 3.775 11.166 ( -2.251 0.693 3.232) 4.000 11.224 ( 6.164 -2.633 1.864) 6.957 11.300 ( 6.721 -4.969 -1.660) 8.522 11.418 ( 14.877 -0.227 -0.499) 14.887 11.457 ( 7.217 -4.419 -3.252) 9.065 11.643 ( 3.131 2.734 -3.181) 5.234 11.726 ( 6.052 0.396 -3.285) 6.897 11.766 ( 5.801 1.791 1.246) 6.198 11.824 ( 6.741 -2.859 3.790) 8.245 12.203 ( -4.359 4.147 7.284) 9.448 12.267 ( -3.079 -0.380 2.023) 3.704 12.403 ( -7.402 -0.102 6.141) 9.618 12.453 ( -2.580 -3.652 0.481) 4.497 12.569 ( 7.896 3.141 -7.641) 11.428 12.627 ( 10.221 -1.754 -6.864) 12.436 12.947 ( -3.730 2.118 0.027) 4.289 13.017 ( -0.830 -4.087 -0.292) 4.181 13.167 ( -1.163 2.056 -0.501) 2.415 13.207 ( -0.368 -1.402 -0.408) 1.506 13.377 ( 5.517 2.345 0.621) 6.027 13.395 ( 2.881 1.243 -0.298) 3.152 13.578 ( -3.397 3.572 -1.590) 5.179 13.636 ( -1.991 -3.314 0.902) 3.970 13.886 ( -0.962 1.010 0.701) 1.561 13.952 ( 1.801 -4.696 1.085) 5.145 14.238 ( 1.059 4.808 1.571) 5.168 14.314 ( 3.177 -1.805 1.124) 3.823 14.448 ( 4.303 2.963 -6.281) 8.170 14.519 ( 3.194 -2.626 -2.392) 4.777 14.577 ( -2.928 3.385 4.624) 6.435 14.616 ( -2.789 0.522 8.043) 8.529 14.783 ( -0.590 2.828 -0.018) 2.889 14.841 ( 1.249 -2.204 1.133) 2.775 15.141 ( -3.176 4.707 -1.339) 5.834 15.247 ( -2.151 -5.517 -2.728) 6.520 15.306 ( 3.217 7.358 -2.806) 8.507 15.459 ( 3.309 -5.720 0.030) 6.608 15.683 ( 1.880 1.649 -2.111) 3.273 15.699 ( 0.114 1.020 -1.194) 1.574 15.747 ( -0.108 0.526 -1.640) 1.726 15.772 ( -1.907 -1.731 0.956) 2.747 15.792 ( -0.454 4.031 -0.042) 4.057 15.840 ( 0.684 -0.066 1.564) 1.708 15.941 ( 2.446 3.785 -0.940) 4.604 15.976 ( 2.002 1.035 2.021) 3.028 16.132 ( -3.728 0.628 -2.341) 4.447 16.167 ( 0.116 -1.773 -3.874) 4.262 16.271 ( -1.589 7.121 -0.792) 7.339 16.423 ( 0.151 -3.339 1.297) 3.585 16.511 ( 2.929 0.484 3.345) 4.472 16.552 ( 2.266 -0.192 3.952) 4.559 16.596 ( 1.414 2.917 -1.434) 3.545 16.689 ( 3.128 -5.499 2.488) 6.798 16.946 ( -1.722 2.780 0.016) 3.270 16.965 ( -0.462 1.562 0.413) 1.681 17.110 ( -2.887 -0.867 0.736) 3.103 17.123 ( -1.484 -2.128 -0.689) 2.684 17.193 ( -1.195 2.832 -0.463) 3.109 17.246 ( 1.476 -1.808 0.529) 2.393 17.341 ( 0.011 0.285 -1.574) 1.599 17.377 ( 1.247 -2.288 -1.685) 3.103 17.555 ( 0.121 3.566 0.352) 3.585 17.619 ( 0.703 -2.196 3.373) 4.086 17.726 ( -2.751 2.824 -0.659) 3.997 17.766 ( 0.461 -0.967 -2.845) 3.040 18.408 ( 0.955 0.162 -0.392) 1.045 18.413 ( 0.731 -0.313 0.417) 0.897 18.634 ( 0.344 -0.326 -1.204) 1.294 18.638 ( -0.844 -0.802 1.395) 1.817 19.640 ( 1.409 4.024 -1.777) 4.619 19.669 ( 1.457 3.403 1.279) 3.916 19.738 ( 0.962 -5.028 1.686) 5.390 19.762 ( 4.112 -5.640 -1.410) 7.121 21.046 ( -0.164 1.928 -2.240) 2.960 21.083 ( 1.025 -1.620 -3.579) 4.061 21.150 ( 0.450 -0.011 3.109) 3.142 21.172 ( -1.286 -1.921 5.592) 6.051 21.484 ( -0.514 0.820 -1.111) 1.474 21.521 ( 0.326 -2.494 0.532) 2.571 21.904 ( -2.060 2.756 -1.625) 3.805 21.960 ( -1.619 -1.885 -0.153) 2.489 22.004 ( 0.821 0.520 -0.705) 1.201 22.027 ( 0.992 -1.199 0.113) 1.560 22.296 ( 2.330 1.303 0.094) 2.671 22.341 ( 4.312 -2.514 -1.207) 5.135 22.527 ( -2.554 1.658 1.888) 3.583 22.553 ( -0.445 -0.760 0.980) 1.318 22.754 ( -2.306 3.563 -3.621) 5.579 22.827 ( -0.518 -3.322 -1.866) 3.846 23.151 ( -0.722 5.125 3.041) 6.003 23.207 ( 0.537 0.140 4.536) 4.570 23.316 ( -0.083 4.215 -1.493) 4.472 23.366 ( 0.949 -0.804 0.630) 1.394 23.806 ( -3.907 7.162 -2.352) 8.491 23.848 ( -3.738 4.329 -1.250) 5.854 24.170 ( -3.585 2.062 -3.419) 5.366 24.270 ( -4.154 -6.029 4.635) 8.665 ======================= Grid point 161 (74/75) ======================= q-point: ( 0.29 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 13.615 9.894 -0.878) 16.853 2.913 ( 12.949 6.787 1.557) 14.702 3.018 ( 8.932 20.465 -4.805) 22.840 3.103 ( 6.141 12.132 3.068) 13.939 3.236 ( 3.494 0.374 2.314) 4.207 3.364 ( 0.804 -7.170 -2.555) 7.654 3.409 ( 1.523 11.594 2.046) 11.872 3.545 ( 3.598 -1.575 2.485) 4.648 3.734 ( 3.332 1.889 -5.673) 6.845 3.808 ( 5.345 -2.978 -1.211) 6.238 3.850 ( -4.683 6.864 -1.627) 8.467 3.948 ( 2.352 5.296 1.077) 5.894 3.982 ( 6.255 -0.742 -3.536) 7.223 4.087 ( -3.859 -4.688 -2.327) 6.502 4.163 ( 0.300 -0.015 1.000) 1.044 4.243 ( -2.098 -3.789 2.759) 5.135 4.381 ( -1.219 6.742 1.400) 6.993 4.500 ( -2.253 -1.140 5.857) 6.378 4.618 ( -2.084 2.140 0.520) 3.032 4.693 ( 0.411 -4.181 -6.631) 7.850 4.721 ( -3.314 1.321 -5.013) 6.153 4.845 ( 0.678 -6.877 -1.593) 7.091 5.087 ( -2.423 -2.715 -9.167) 9.863 5.119 ( -2.532 -5.468 -1.832) 6.298 5.304 ( 3.658 1.896 3.779) 5.591 5.384 ( 0.828 -4.785 -0.682) 4.904 5.535 ( -9.018 8.446 6.588) 14.002 5.698 ( -11.208 -4.657 6.028) 13.552 5.809 ( -3.006 1.037 7.120) 7.798 5.927 ( -7.020 -7.418 8.169) 13.079 5.949 ( -5.066 3.341 4.502) 7.556 6.077 ( -5.242 -3.731 2.144) 6.782 6.179 ( -3.969 0.302 0.628) 4.030 6.194 ( -7.859 -4.241 1.591) 9.070 6.401 ( -9.942 4.725 -2.408) 11.268 6.535 ( -7.283 -5.430 -0.276) 9.089 6.640 ( 3.198 2.783 -3.763) 5.669 6.730 ( -4.671 2.903 -1.313) 5.654 6.819 ( 2.504 -2.749 2.280) 4.362 6.964 ( -15.944 -9.978 -3.426) 19.119 7.054 ( -5.538 2.988 -0.682) 6.329 7.126 ( -6.375 -4.096 -6.499) 9.982 7.231 ( -8.086 1.658 -2.138) 8.527 7.371 ( -6.265 -9.798 -4.289) 12.395 7.571 ( -3.113 3.219 -0.248) 4.485 7.671 ( -7.042 -6.892 -1.201) 9.927 7.743 ( -5.239 2.911 5.267) 7.979 7.843 ( -5.703 -5.358 6.851) 10.400 8.119 ( 3.225 1.887 3.247) 4.950 8.165 ( 4.426 -2.152 0.727) 4.974 8.306 ( -6.165 5.315 5.839) 10.018 8.408 ( 3.975 2.982 -7.077) 8.647 8.431 ( -3.975 -4.083 -4.879) 7.502 8.480 ( 4.647 -1.693 -0.340) 4.958 8.566 ( -4.528 6.086 0.816) 7.630 8.726 ( -0.611 -2.239 2.567) 3.461 8.849 ( 0.211 -4.380 0.635) 4.431 8.898 ( -0.155 -3.957 -0.969) 4.076 9.036 ( 0.930 1.894 -5.129) 5.546 9.106 ( -1.468 -4.078 1.482) 4.581 9.283 ( 1.780 3.620 -1.834) 4.431 9.365 ( 2.468 -0.285 -2.393) 3.450 9.508 ( 2.251 2.835 4.076) 5.452 9.598 ( 1.244 -5.117 0.757) 5.321 9.657 ( -2.159 5.902 2.158) 6.645 9.729 ( -8.959 -0.577 -2.644) 9.359 9.847 ( -4.321 4.654 -7.277) 9.658 9.904 ( -3.995 2.036 0.955) 4.585 9.955 ( -1.335 -2.119 -5.948) 6.454 10.010 ( -5.372 -2.461 -8.048) 9.984 10.043 ( 3.130 11.935 1.467) 12.426 10.244 ( 1.214 -6.860 8.677) 11.127 10.299 ( -0.787 -1.675 1.566) 2.424 10.360 ( 0.319 -2.304 -2.703) 3.566 10.559 ( 4.776 0.108 -0.380) 4.792 10.599 ( 2.952 -1.149 0.907) 3.295 10.620 ( 2.732 -3.310 5.704) 7.139 10.697 ( 7.603 -4.697 -3.360) 9.547 10.913 ( 6.834 6.196 1.641) 9.370 10.941 ( -2.555 4.397 -0.447) 5.105 11.032 ( 6.254 -2.349 0.215) 6.684 11.041 ( -5.280 -3.601 -0.621) 6.421 11.109 ( 2.881 0.439 7.286) 7.847 11.221 ( 2.106 -7.626 4.010) 8.869 11.308 ( 4.498 2.519 1.292) 5.315 11.402 ( 6.426 -5.004 -3.251) 8.769 11.575 ( 9.261 3.073 -4.376) 10.694 11.663 ( 6.471 -1.028 -4.361) 7.871 11.719 ( 12.463 -0.600 -3.214) 12.885 11.796 ( -3.765 6.292 -0.312) 7.339 11.803 ( 6.554 -2.656 -4.806) 8.550 11.913 ( -3.307 -4.974 5.762) 8.299 12.222 ( 0.168 1.593 3.243) 3.617 12.295 ( -2.341 -5.008 5.807) 8.018 12.392 ( 5.762 0.436 5.652) 8.083 12.413 ( -0.302 -1.508 3.864) 4.159 12.668 ( 7.983 4.219 -4.528) 10.102 12.735 ( 4.914 -2.175 -3.681) 6.513 12.869 ( -3.532 4.161 0.643) 5.496 12.963 ( -3.716 -4.939 -0.483) 6.199 13.170 ( 1.462 2.706 -1.299) 3.339 13.213 ( 1.768 -1.285 -3.493) 4.121 13.385 ( -1.388 3.375 -1.146) 3.825 13.452 ( 0.215 -1.290 -4.792) 4.967 13.524 ( 0.227 6.627 3.677) 7.582 13.647 ( 1.414 -4.988 0.757) 5.240 13.873 ( -0.366 1.684 -0.167) 1.732 13.971 ( -1.106 -6.723 1.243) 6.926 14.318 ( 4.697 5.733 3.241) 8.089 14.398 ( 4.084 -1.565 2.033) 4.823 14.469 ( 3.376 2.799 -4.845) 6.535 14.518 ( 0.155 0.117 -2.049) 2.058 14.583 ( -2.241 -0.567 6.404) 6.808 14.617 ( -3.689 -2.341 7.781) 8.924 14.809 ( 2.159 5.425 -1.519) 6.034 14.866 ( 0.857 -0.304 -1.930) 2.133 15.088 ( -1.526 4.682 -0.200) 4.929 15.201 ( 0.065 -5.121 -1.994) 5.496 15.315 ( 0.782 6.085 -2.835) 6.758 15.473 ( 1.697 -6.434 -5.435) 8.591 15.656 ( -1.682 4.588 -2.063) 5.304 15.685 ( -0.189 2.154 -1.122) 2.436 15.724 ( -2.752 0.314 -1.220) 3.027 15.731 ( -2.092 -2.203 0.242) 3.048 15.843 ( 3.718 2.445 1.430) 4.674 15.885 ( 2.999 -0.321 1.352) 3.306 15.963 ( -0.488 1.677 0.041) 1.747 16.013 ( -1.169 -2.177 2.594) 3.583 16.077 ( 2.718 4.342 -3.048) 5.960 16.165 ( 3.792 -2.388 -4.562) 6.394 16.264 ( -0.740 5.287 2.511) 5.899 16.393 ( -3.797 -6.288 0.785) 7.388 16.592 ( 2.581 5.774 2.714) 6.882 16.619 ( 1.361 3.350 2.143) 4.204 16.644 ( 3.707 -1.242 1.041) 4.046 16.757 ( 1.514 -6.438 1.501) 6.782 16.928 ( -0.599 4.499 1.944) 4.938 16.975 ( 0.638 0.952 1.697) 2.048 17.052 ( -3.501 0.007 -0.419) 3.526 17.077 ( -2.506 -3.695 -0.277) 4.473 17.172 ( -0.291 5.287 -0.763) 5.350 17.280 ( 1.552 -3.540 1.019) 3.998 17.329 ( 0.103 0.355 -2.327) 2.356 17.378 ( 0.430 -3.237 -1.694) 3.679 17.571 ( 0.955 4.478 0.224) 4.584 17.633 ( -2.338 0.403 1.279) 2.696 17.683 ( -0.196 1.465 -0.599) 1.595 17.737 ( -0.692 -1.922 -2.343) 3.108 18.425 ( 1.239 0.152 -0.278) 1.279 18.432 ( 0.846 -0.434 0.369) 1.020 18.629 ( 0.320 0.072 -0.971) 1.025 18.634 ( -0.809 -0.443 1.092) 1.430 19.658 ( 2.282 4.625 -1.607) 5.402 19.703 ( 1.061 3.375 0.354) 3.555 19.789 ( 2.742 -5.456 1.987) 6.421 19.832 ( 4.159 -7.141 -0.527) 8.281 21.029 ( 0.058 1.816 -1.112) 2.130 21.062 ( 0.592 -1.312 -3.678) 3.950 21.188 ( -0.455 -0.986 3.950) 4.097 21.195 ( -0.868 -1.375 3.993) 4.311 21.478 ( 0.619 1.744 0.165) 1.858 21.534 ( 0.690 -3.255 0.447) 3.357 21.833 ( -2.696 2.673 -3.084) 4.891 21.896 ( -3.472 -2.861 -2.346) 5.074 22.022 ( 1.774 1.601 -0.731) 2.499 22.056 ( 1.324 -1.522 -0.584) 2.100 22.359 ( 3.924 2.526 0.149) 4.669 22.406 ( 2.834 -1.416 -0.132) 3.171 22.496 ( -2.581 2.188 2.777) 4.377 22.554 ( 0.268 -3.586 1.225) 3.799 22.698 ( -1.050 4.845 -1.674) 5.233 22.793 ( -1.228 -3.965 -1.727) 4.496 23.165 ( -1.620 6.007 3.354) 7.068 23.242 ( -2.358 -0.819 4.959) 5.552 23.320 ( 2.371 5.156 -1.016) 5.766 23.391 ( 3.220 -1.914 -2.206) 4.347 23.708 ( -5.155 4.227 -0.778) 6.712 23.728 ( -6.450 2.209 -3.463) 7.647 24.088 ( -3.199 6.360 -0.610) 7.146 24.200 ( -6.663 -4.131 2.374) 8.192 ======================= Grid point 162 (75/75) ======================= q-point: ( 0.43 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 10.235 11.822 -3.658) 16.059 3.137 ( 3.724 7.536 4.424) 9.499 3.162 ( 12.568 10.530 -2.084) 16.528 3.220 ( 1.865 12.889 3.432) 13.468 3.272 ( -0.770 2.775 -2.057) 3.540 3.356 ( -4.632 10.480 1.377) 11.540 3.426 ( 3.213 2.669 1.396) 4.404 3.541 ( -3.831 -0.561 -1.983) 4.350 3.772 ( 4.242 5.922 1.008) 7.354 3.794 ( 2.195 2.542 -2.495) 4.184 3.856 ( -3.496 -1.736 1.886) 4.335 3.890 ( -6.357 -2.258 -4.315) 8.008 4.082 ( 6.255 2.500 5.139) 8.473 4.140 ( 7.179 1.936 -3.757) 8.331 4.219 ( 1.559 -0.705 1.084) 2.025 4.255 ( 2.152 -1.897 2.071) 3.538 4.379 ( 2.137 7.857 1.146) 8.223 4.491 ( -3.698 0.459 2.449) 4.459 4.555 ( -6.843 1.614 -0.135) 7.032 4.599 ( 1.279 -1.918 -10.943) 11.183 4.776 ( 8.817 -2.352 3.450) 9.756 4.850 ( -0.448 -5.004 4.038) 6.446 4.982 ( -0.777 -3.156 -7.174) 7.876 5.058 ( -5.564 -8.932 -3.098) 10.970 5.302 ( -2.952 -0.306 -0.931) 3.110 5.346 ( -2.581 -3.918 -0.295) 4.701 5.461 ( 0.235 0.370 0.270) 0.515 5.540 ( -8.740 -5.036 4.039) 10.865 5.699 ( -5.893 -1.218 -0.800) 6.070 5.742 ( -9.391 -4.831 -0.278) 10.564 6.061 ( 0.061 5.010 6.980) 8.592 6.092 ( 0.401 1.717 3.608) 4.016 6.109 ( -4.022 2.452 3.884) 6.105 6.130 ( -1.513 -0.438 0.754) 1.747 6.290 ( -2.786 -7.690 3.673) 8.966 6.355 ( -5.177 -9.409 -8.379) 13.621 6.631 ( 0.165 4.654 -3.064) 5.575 6.645 ( -3.511 4.532 0.110) 5.734 6.817 ( -1.595 -2.008 10.935) 11.231 6.897 ( 0.117 -8.363 5.400) 9.956 6.955 ( -2.718 -0.250 -10.716) 11.058 6.986 ( -2.684 -1.497 -5.684) 6.462 7.111 ( -0.074 -3.486 -1.189) 3.684 7.194 ( -7.654 -11.817 -2.537) 14.306 7.578 ( 3.336 1.713 -1.790) 4.155 7.608 ( -1.280 -0.524 0.629) 1.520 7.717 ( -1.673 -0.483 1.559) 2.337 7.760 ( -6.942 -3.812 2.475) 8.298 8.230 ( 2.713 1.006 6.175) 6.820 8.261 ( -0.052 -2.898 4.627) 5.459 8.313 ( 2.834 5.564 2.316) 6.660 8.366 ( -0.796 1.545 -0.506) 1.810 8.419 ( 3.520 2.821 -2.027) 4.946 8.497 ( -2.694 -0.454 -1.874) 3.313 8.565 ( 3.853 1.682 1.375) 4.423 8.677 ( -5.531 -3.482 -1.898) 6.806 8.883 ( 2.676 2.197 3.104) 4.649 8.936 ( 4.538 -0.664 1.867) 4.952 8.987 ( -0.445 -2.352 -6.060) 6.516 9.048 ( -3.879 -4.696 -0.092) 6.091 9.265 ( -0.700 2.148 -1.585) 2.760 9.360 ( -6.438 -5.379 -8.748) 12.120 9.471 ( -0.650 5.909 0.489) 5.965 9.533 ( -3.027 1.733 -1.238) 3.701 9.610 ( -1.000 2.969 1.479) 3.464 9.659 ( -3.553 1.918 -1.238) 4.223 9.752 ( 3.587 1.800 -1.327) 4.227 9.840 ( -4.419 1.162 -2.944) 5.435 9.887 ( 2.407 -6.162 -7.416) 9.938 9.907 ( -4.091 -3.438 4.323) 6.873 10.184 ( 8.966 12.639 1.405) 15.560 10.291 ( -3.218 4.653 1.799) 5.937 10.365 ( 2.973 -4.700 5.349) 7.716 10.422 ( 3.927 -1.671 3.439) 5.481 10.556 ( -0.897 -2.237 -1.364) 2.769 10.630 ( -3.474 -3.897 1.948) 5.572 10.744 ( 5.300 1.557 0.692) 5.567 10.789 ( 3.880 1.332 -3.502) 5.394 10.895 ( -0.302 0.707 0.242) 0.806 10.919 ( -3.663 -1.834 -2.160) 4.631 11.082 ( 5.705 -0.776 3.720) 6.855 11.126 ( 3.265 -4.246 -0.689) 5.400 11.207 ( 2.245 -1.929 2.637) 3.964 11.246 ( -1.398 -5.481 1.220) 5.787 11.423 ( 4.810 3.196 4.605) 7.386 11.470 ( 4.833 -0.428 -3.519) 5.994 11.594 ( -2.636 3.253 -0.852) 4.273 11.664 ( -5.883 -0.117 -5.409) 7.992 11.730 ( 5.918 3.963 -4.391) 8.367 11.800 ( -3.006 -0.940 1.847) 3.652 11.873 ( 4.749 -7.078 -3.640) 9.268 11.901 ( -1.987 -5.951 3.400) 7.136 12.274 ( 3.583 -0.070 2.408) 4.318 12.311 ( 0.536 -3.227 1.746) 3.708 12.494 ( 0.850 2.314 3.757) 4.494 12.515 ( 0.852 0.024 -0.276) 0.895 12.748 ( 4.289 2.532 -0.192) 4.984 12.779 ( 4.301 0.220 2.720) 5.094 12.846 ( -1.042 1.831 -0.219) 2.118 12.915 ( -2.646 -3.738 -1.347) 4.774 13.156 ( -0.251 1.470 -0.965) 1.776 13.183 ( -0.142 -1.122 -5.018) 5.144 13.379 ( 0.063 0.740 1.621) 1.783 13.398 ( -0.864 -0.553 -1.067) 1.480 13.579 ( 1.302 5.280 2.240) 5.881 13.632 ( -1.765 0.783 -2.811) 3.410 13.897 ( 3.028 -2.213 -0.536) 3.789 13.944 ( -3.000 -5.804 1.424) 6.687 14.431 ( 3.011 3.472 4.767) 6.622 14.455 ( 0.680 0.995 1.491) 1.918 14.472 ( 0.884 1.676 -2.840) 3.414 14.500 ( 0.144 -0.966 -4.015) 4.132 14.641 ( -0.021 1.054 9.681) 9.738 14.663 ( 1.640 -1.005 5.591) 5.913 14.769 ( -0.961 4.056 -5.876) 7.204 14.816 ( -1.922 -0.214 -7.245) 7.499 15.114 ( 1.550 5.644 5.442) 7.992 15.189 ( -0.133 2.128 -4.573) 5.046 15.328 ( 1.515 -1.596 4.180) 4.724 15.420 ( -0.745 -6.090 -8.311) 10.331 15.628 ( 0.187 4.020 -0.063) 4.025 15.657 ( -2.988 2.041 0.350) 3.635 15.678 ( -0.179 -0.304 -0.006) 0.353 15.695 ( -1.474 -2.230 -0.753) 2.777 15.907 ( 2.686 2.337 -0.340) 3.577 15.938 ( -1.124 1.136 -0.197) 1.610 15.954 ( 2.623 0.274 1.247) 2.917 15.999 ( -2.290 -1.997 1.329) 3.316 16.142 ( 4.146 2.188 0.347) 4.701 16.186 ( 2.232 -1.001 -4.535) 5.153 16.279 ( 0.079 2.474 2.142) 3.273 16.323 ( -4.153 -1.357 0.520) 4.400 16.643 ( 1.047 4.201 1.046) 4.454 16.648 ( 0.340 3.671 0.972) 3.813 16.714 ( 3.095 -3.377 0.619) 4.623 16.759 ( -1.687 -5.017 0.302) 5.301 16.951 ( 0.275 4.365 1.949) 4.788 16.980 ( -1.432 2.616 -1.323) 3.263 17.019 ( 0.130 -1.136 2.489) 2.739 17.048 ( -0.660 -3.771 -0.959) 3.947 17.193 ( 2.606 5.077 2.243) 6.132 17.280 ( -2.565 1.218 -3.967) 4.878 17.319 ( 1.632 -3.891 1.258) 4.403 17.357 ( -1.109 -3.416 -1.357) 3.839 17.585 ( 1.267 3.939 -1.303) 4.338 17.599 ( -1.753 3.568 0.969) 4.092 17.689 ( 1.122 -1.176 -0.754) 1.792 17.708 ( -1.413 -1.910 0.111) 2.379 18.442 ( 0.726 -0.048 -0.236) 0.765 18.444 ( 0.166 -0.312 0.277) 0.449 18.628 ( 0.457 0.165 -0.834) 0.965 18.630 ( -0.634 -0.048 0.859) 1.069 19.687 ( 2.011 4.363 -0.831) 4.876 19.708 ( -0.625 3.516 0.077) 3.572 19.855 ( 1.968 -6.035 2.126) 6.694 19.878 ( 1.365 -7.282 -1.094) 7.489 21.028 ( 0.139 0.815 0.406) 0.921 21.041 ( 0.077 -0.431 -2.179) 2.223 21.204 ( -0.716 -1.087 2.528) 2.844 21.209 ( -0.100 -1.589 0.431) 1.649 21.508 ( 1.540 1.562 1.641) 2.740 21.541 ( -0.303 -1.171 -0.737) 1.416 21.781 ( -0.386 0.078 -0.729) 0.828 21.814 ( -2.603 -2.696 -2.574) 4.546 22.044 ( 1.245 0.996 -0.443) 1.654 22.058 ( -0.171 -0.376 -0.636) 0.758 22.401 ( 0.724 1.595 -0.103) 1.755 22.413 ( -0.821 0.418 -0.248) 0.954 22.529 ( 2.591 3.431 3.675) 5.656 22.587 ( 0.374 0.081 -0.644) 0.749 22.688 ( 1.392 -0.126 0.674) 1.551 22.747 ( -2.592 -3.648 -1.386) 4.685 23.166 ( 0.474 4.183 0.706) 4.269 23.206 ( -3.977 0.698 1.537) 4.320 23.385 ( 3.659 3.257 1.946) 5.271 23.432 ( 2.774 -1.468 -3.504) 4.704 23.602 ( -3.352 3.466 -1.452) 5.036 23.618 ( -4.421 2.035 0.381) 4.882 24.058 ( 0.229 4.725 0.231) 4.737 24.104 ( -4.856 0.187 0.434) 4.879 =================== 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 3/45360 10.0 1014.725 424.420 1315.198 0.000 -424.161 0.000 3/45360 20.0 548.329 531.342 559.643 0.000 -23.750 0.000 3/45360 30.0 254.672 257.464 244.243 0.000 5.243 0.000 3/45360 40.0 132.547 135.677 124.015 0.000 3.534 0.000 3/45360 50.0 78.197 80.152 72.499 0.000 1.738 0.000 3/45360 60.0 50.875 51.917 47.072 0.000 0.893 0.000 3/45360 70.0 35.659 36.172 33.031 0.000 0.499 0.000 3/45360 80.0 26.475 26.698 24.577 0.000 0.299 0.000 3/45360 90.0 20.562 20.626 19.132 0.000 0.189 0.000 3/45360 100.0 16.551 16.526 15.431 0.000 0.124 0.000 3/45360 110.0 13.709 13.634 12.804 0.000 0.083 0.000 3/45360 120.0 11.622 11.518 10.870 0.000 0.056 0.000 3/45360 130.0 10.042 9.923 9.404 0.000 0.037 0.000 3/45360 140.0 8.816 8.688 8.263 0.000 0.024 0.000 3/45360 150.0 7.842 7.711 7.356 0.000 0.015 0.000 3/45360 160.0 7.053 6.923 6.621 0.000 0.008 0.000 3/45360 170.0 6.405 6.276 6.016 0.000 0.002 0.000 3/45360 180.0 5.864 5.737 5.511 0.000 -0.001 0.000 3/45360 190.0 5.406 5.283 5.083 0.000 -0.004 0.000 3/45360 200.0 5.015 4.895 4.717 0.000 -0.007 0.000 3/45360 210.0 4.676 4.561 4.401 0.000 -0.008 0.000 3/45360 220.0 4.382 4.270 4.125 0.000 -0.010 0.000 3/45360 230.0 4.123 4.015 3.883 0.000 -0.011 0.000 3/45360 240.0 3.893 3.790 3.668 0.000 -0.011 0.000 3/45360 250.0 3.689 3.589 3.477 0.000 -0.012 0.000 3/45360 260.0 3.506 3.410 3.305 0.000 -0.012 0.000 3/45360 270.0 3.340 3.248 3.150 0.000 -0.013 0.000 3/45360 280.0 3.190 3.102 3.010 0.000 -0.013 0.000 3/45360 290.0 3.054 2.968 2.882 0.000 -0.013 0.000 3/45360 300.0 2.929 2.847 2.765 0.000 -0.013 0.000 3/45360 310.0 2.815 2.735 2.658 0.000 -0.013 0.000 3/45360 320.0 2.709 2.632 2.559 0.000 -0.013 0.000 3/45360 330.0 2.612 2.537 2.467 0.000 -0.013 0.000 3/45360 340.0 2.522 2.450 2.383 0.000 -0.013 0.000 3/45360 350.0 2.437 2.368 2.304 0.000 -0.013 0.000 3/45360 360.0 2.359 2.292 2.230 0.000 -0.013 0.000 3/45360 370.0 2.286 2.220 2.161 0.000 -0.012 0.000 3/45360 380.0 2.217 2.154 2.097 0.000 -0.012 0.000 3/45360 390.0 2.153 2.091 2.036 0.000 -0.012 0.000 3/45360 400.0 2.092 2.032 1.979 0.000 -0.012 0.000 3/45360 410.0 2.035 1.977 1.925 0.000 -0.012 0.000 3/45360 420.0 1.981 1.924 1.874 0.000 -0.012 0.000 3/45360 430.0 1.929 1.875 1.826 0.000 -0.012 0.000 3/45360 440.0 1.881 1.828 1.781 0.000 -0.011 0.000 3/45360 450.0 1.835 1.783 1.737 0.000 -0.011 0.000 3/45360 460.0 1.791 1.741 1.696 0.000 -0.011 0.000 3/45360 470.0 1.750 1.700 1.657 0.000 -0.011 0.000 3/45360 480.0 1.710 1.662 1.620 0.000 -0.011 0.000 3/45360 490.0 1.672 1.625 1.584 0.000 -0.011 0.000 3/45360 500.0 1.636 1.590 1.550 0.000 -0.011 0.000 3/45360 510.0 1.602 1.557 1.518 0.000 -0.010 0.000 3/45360 520.0 1.569 1.525 1.486 0.000 -0.010 0.000 3/45360 530.0 1.537 1.494 1.457 0.000 -0.010 0.000 3/45360 540.0 1.506 1.464 1.428 0.000 -0.010 0.000 3/45360 550.0 1.477 1.436 1.400 0.000 -0.010 0.000 3/45360 560.0 1.449 1.409 1.374 0.000 -0.010 0.000 3/45360 570.0 1.422 1.383 1.348 0.000 -0.010 0.000 3/45360 580.0 1.396 1.358 1.324 0.000 -0.010 0.000 3/45360 590.0 1.371 1.333 1.300 0.000 -0.009 0.000 3/45360 600.0 1.347 1.310 1.278 0.000 -0.009 0.000 3/45360 610.0 1.324 1.288 1.256 0.000 -0.009 0.000 3/45360 620.0 1.302 1.266 1.234 0.000 -0.009 0.000 3/45360 630.0 1.280 1.245 1.214 0.000 -0.009 0.000 3/45360 640.0 1.259 1.224 1.194 0.000 -0.009 0.000 3/45360 650.0 1.239 1.205 1.175 0.000 -0.009 0.000 3/45360 660.0 1.219 1.186 1.157 0.000 -0.009 0.000 3/45360 670.0 1.200 1.167 1.139 0.000 -0.008 0.000 3/45360 680.0 1.182 1.150 1.121 0.000 -0.008 0.000 3/45360 690.0 1.164 1.132 1.104 0.000 -0.008 0.000 3/45360 700.0 1.147 1.115 1.088 0.000 -0.008 0.000 3/45360 710.0 1.130 1.099 1.072 0.000 -0.008 0.000 3/45360 720.0 1.114 1.083 1.057 0.000 -0.008 0.000 3/45360 730.0 1.098 1.068 1.042 0.000 -0.008 0.000 3/45360 740.0 1.082 1.053 1.027 0.000 -0.008 0.000 3/45360 750.0 1.068 1.039 1.013 0.000 -0.008 0.000 3/45360 760.0 1.053 1.025 1.000 0.000 -0.008 0.000 3/45360 770.0 1.039 1.011 0.986 0.000 -0.008 0.000 3/45360 780.0 1.025 0.998 0.973 0.000 -0.007 0.000 3/45360 790.0 1.012 0.985 0.961 0.000 -0.007 0.000 3/45360 800.0 0.999 0.972 0.948 0.000 -0.007 0.000 3/45360 810.0 0.986 0.960 0.936 0.000 -0.007 0.000 3/45360 820.0 0.974 0.948 0.925 0.000 -0.007 0.000 3/45360 830.0 0.962 0.936 0.913 0.000 -0.007 0.000 3/45360 840.0 0.950 0.925 0.902 0.000 -0.007 0.000 3/45360 850.0 0.939 0.913 0.891 0.000 -0.007 0.000 3/45360 860.0 0.927 0.903 0.881 0.000 -0.007 0.000 3/45360 870.0 0.916 0.892 0.870 0.000 -0.007 0.000 3/45360 880.0 0.906 0.882 0.860 0.000 -0.007 0.000 3/45360 890.0 0.895 0.872 0.850 0.000 -0.007 0.000 3/45360 900.0 0.885 0.862 0.841 0.000 -0.007 0.000 3/45360 910.0 0.875 0.852 0.831 0.000 -0.007 0.000 3/45360 920.0 0.866 0.843 0.822 0.000 -0.006 0.000 3/45360 930.0 0.856 0.833 0.813 0.000 -0.006 0.000 3/45360 940.0 0.847 0.824 0.804 0.000 -0.006 0.000 3/45360 950.0 0.838 0.815 0.796 0.000 -0.006 0.000 3/45360 960.0 0.829 0.807 0.787 0.000 -0.006 0.000 3/45360 970.0 0.820 0.798 0.779 0.000 -0.006 0.000 3/45360 980.0 0.812 0.790 0.771 0.000 -0.006 0.000 3/45360 990.0 0.803 0.782 0.763 0.000 -0.006 0.000 3/45360 1000.0 0.795 0.774 0.755 0.000 -0.006 0.000 3/45360 Thermal conductivity related properties were written into "kappa-m794.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:46:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|