----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:00:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 10.199748160046141 0.000000000000000 0.000000000000000 b 0.000000000000000 6.385073860000000 0.000000000000000 c -2.874794509425676 0.000000000000000 11.975258127198611 Atomic positions (fractional): *1 Ba 0.62759450298669 0.59438130010982 0.37493375853321 137.327 2 Ba 0.62759450298669 0.90561869989018 0.87493375853321 137.327 3 Ba 0.37240549701331 0.40561869989018 0.62506624146679 137.327 4 Ba 0.37240549701331 0.09438130010982 0.12506624146679 137.327 *5 Bi 0.77308909853324 0.14604740682385 0.62755482430771 208.980 *6 Bi 0.97975454582792 0.68114956441854 0.61441011088877 208.980 7 Bi 0.22691090146676 0.85395259317616 0.37244517569229 208.980 8 Bi 0.97975454582792 0.81885043558146 0.11441011088877 208.980 9 Bi 0.77308909853324 0.35395259317616 0.12755482430771 208.980 10 Bi 0.02024545417208 0.31885043558146 0.38558988911123 208.980 11 Bi 0.02024545417208 0.18114956441854 0.88558988911123 208.980 12 Bi 0.22691090146676 0.64604740682384 0.87244517569229 208.980 *13 B 0.28138200487864 0.91251178737841 0.66846155970815 10.811 *14 B 0.10932265471744 0.20090791914646 0.66676977069956 10.811 *15 B 0.30212794664507 0.12634945754596 0.84088098872154 10.811 16 B 0.30212794664507 0.37365054245404 0.34088098872154 10.811 *17 B 0.50546794692663 0.88912800083010 0.60285601959432 10.811 18 B 0.28138200487864 0.58748821262159 0.16846155970815 10.811 19 B 0.71861799512136 0.41251178737841 0.83153844029185 10.811 20 B 0.10932265471744 0.29909208085354 0.16676977069956 10.811 21 B 0.71861799512136 0.08748821262159 0.33153844029185 10.811 22 B 0.89067734528256 0.79909208085354 0.33323022930044 10.811 23 B 0.89067734528256 0.70090791914646 0.83323022930044 10.811 24 B 0.69787205335492 0.87365054245404 0.15911901127846 10.811 25 B 0.50546794692663 0.61087199916990 0.10285601959432 10.811 26 B 0.49453205307337 0.11087199916990 0.39714398040568 10.811 27 B 0.49453205307337 0.38912800083010 0.89714398040568 10.811 28 B 0.69787205335492 0.62634945754596 0.65911901127846 10.811 *29 O 0.99679582177755 0.91264545509210 0.29344083809762 15.999 *30 O 0.37171348128600 0.66610702113405 0.09569514571352 15.999 *31 O 0.20888778258867 0.21524669426390 0.27278376783010 15.999 *32 O 0.58878119105600 0.76695948403132 0.07579286863702 15.999 *33 O 0.44532374350861 0.58056116902360 0.86177694258435 15.999 34 O 0.44532374350861 0.91943883097640 0.36177694258435 15.999 35 O 0.00320417822245 0.41264545509210 0.20655916190238 15.999 36 O 0.41121880894400 0.26695948403132 0.42420713136298 15.999 37 O 0.79111221741133 0.71524669426390 0.22721623216990 15.999 *38 O 0.94328092314936 0.62805304379129 0.40987365371086 15.999 39 O 0.05671907685064 0.12805304379129 0.09012634628914 15.999 *40 O 0.78916711152883 0.22327596951082 0.80289555836821 15.999 41 O 0.62828651871400 0.16610702113405 0.40430485428648 15.999 *42 O 0.81502567192543 0.93634632712068 0.39419611814231 15.999 43 O 0.55467625649139 0.08056116902360 0.63822305741565 15.999 44 O 0.78916711152883 0.27672403048918 0.30289555836821 15.999 45 O 0.00320417822245 0.08735454490790 0.70655916190238 15.999 *46 O 0.77261676903987 0.49564360128518 0.59460349736480 15.999 47 O 0.37171348128600 0.83389297886595 0.59569514571352 15.999 48 O 0.21083288847118 0.72327596951082 0.69710444163179 15.999 49 O 0.20888778258867 0.28475330573610 0.77278376783010 15.999 *50 O 0.36626611177419 0.00520155747537 0.76839192560665 15.999 51 O 0.79111221741133 0.78475330573610 0.72721623216990 15.999 52 O 0.77261676903987 0.00435639871482 0.09460349736480 15.999 53 O 0.05671907685064 0.37194695620871 0.59012634628914 15.999 54 O 0.62828651871400 0.33389297886595 0.90430485428648 15.999 55 O 0.94328092314936 0.87194695620871 0.90987365371086 15.999 56 O 0.58878119105600 0.73304051596868 0.57579286863702 15.999 57 O 0.63373388822581 0.50520155747537 0.73160807439335 15.999 58 O 0.21083288847118 0.77672403048918 0.19710444163179 15.999 59 O 0.41121880894400 0.23304051596868 0.92420713136298 15.999 60 O 0.22738323096013 0.50435639871482 0.40539650263520 15.999 61 O 0.63373388822581 0.99479844252463 0.23160807439335 15.999 62 O 0.55467625649139 0.41943883097640 0.13822305741565 15.999 63 O 0.81502567192543 0.56365367287932 0.89419611814231 15.999 64 O 0.99679582177755 0.58735454490790 0.79344083809762 15.999 65 O 0.18497432807457 0.43634632712068 0.10580388185769 15.999 66 O 0.18497432807457 0.06365367287932 0.60580388185769 15.999 67 O 0.36626611177419 0.49479844252463 0.26839192560665 15.999 68 O 0.22738323096013 0.99564360128518 0.90539650263520 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.199748160046141 0.000000000000000 0.000000000000000 b 0.000000000000000 6.385073860000000 0.000000000000000 c -2.874794509425676 0.000000000000000 11.975258127198611 Atomic positions (fractional): *1 Ba 0.62759450298669 0.59438130010982 0.37493375853321 137.327 > 1 2 Ba 0.62759450298669 0.90561869989018 0.87493375853321 137.327 > 2 3 Ba 0.37240549701331 0.40561869989018 0.62506624146679 137.327 > 3 4 Ba 0.37240549701331 0.09438130010982 0.12506624146679 137.327 > 4 *5 Bi 0.77308909853324 0.14604740682385 0.62755482430771 208.980 > 5 *6 Bi 0.97975454582792 0.68114956441854 0.61441011088877 208.980 > 6 7 Bi 0.22691090146676 0.85395259317616 0.37244517569229 208.980 > 7 8 Bi 0.97975454582792 0.81885043558146 0.11441011088877 208.980 > 8 9 Bi 0.77308909853324 0.35395259317616 0.12755482430771 208.980 > 9 10 Bi 0.02024545417208 0.31885043558146 0.38558988911123 208.980 > 10 11 Bi 0.02024545417208 0.18114956441854 0.88558988911123 208.980 > 11 12 Bi 0.22691090146676 0.64604740682384 0.87244517569229 208.980 > 12 *13 B 0.28138200487864 0.91251178737841 0.66846155970815 10.811 > 13 *14 B 0.10932265471744 0.20090791914646 0.66676977069956 10.811 > 14 *15 B 0.30212794664507 0.12634945754596 0.84088098872154 10.811 > 15 16 B 0.30212794664507 0.37365054245404 0.34088098872154 10.811 > 16 *17 B 0.50546794692663 0.88912800083010 0.60285601959432 10.811 > 17 18 B 0.28138200487864 0.58748821262159 0.16846155970815 10.811 > 18 19 B 0.71861799512136 0.41251178737841 0.83153844029185 10.811 > 19 20 B 0.10932265471744 0.29909208085354 0.16676977069956 10.811 > 20 21 B 0.71861799512136 0.08748821262159 0.33153844029185 10.811 > 21 22 B 0.89067734528256 0.79909208085354 0.33323022930044 10.811 > 22 23 B 0.89067734528256 0.70090791914646 0.83323022930044 10.811 > 23 24 B 0.69787205335492 0.87365054245404 0.15911901127846 10.811 > 24 25 B 0.50546794692663 0.61087199916990 0.10285601959432 10.811 > 25 26 B 0.49453205307337 0.11087199916990 0.39714398040568 10.811 > 26 27 B 0.49453205307337 0.38912800083010 0.89714398040568 10.811 > 27 28 B 0.69787205335492 0.62634945754596 0.65911901127846 10.811 > 28 *29 O 0.99679582177755 0.91264545509210 0.29344083809762 15.999 > 29 *30 O 0.37171348128600 0.66610702113405 0.09569514571352 15.999 > 30 *31 O 0.20888778258867 0.21524669426390 0.27278376783010 15.999 > 31 *32 O 0.58878119105600 0.76695948403132 0.07579286863702 15.999 > 32 *33 O 0.44532374350861 0.58056116902360 0.86177694258435 15.999 > 33 34 O 0.44532374350861 0.91943883097640 0.36177694258435 15.999 > 34 35 O 0.00320417822245 0.41264545509210 0.20655916190238 15.999 > 35 36 O 0.41121880894400 0.26695948403132 0.42420713136298 15.999 > 36 37 O 0.79111221741133 0.71524669426390 0.22721623216990 15.999 > 37 *38 O 0.94328092314936 0.62805304379129 0.40987365371086 15.999 > 38 39 O 0.05671907685064 0.12805304379129 0.09012634628914 15.999 > 39 *40 O 0.78916711152883 0.22327596951082 0.80289555836821 15.999 > 40 41 O 0.62828651871400 0.16610702113405 0.40430485428648 15.999 > 41 *42 O 0.81502567192543 0.93634632712068 0.39419611814231 15.999 > 42 43 O 0.55467625649139 0.08056116902360 0.63822305741565 15.999 > 43 44 O 0.78916711152883 0.27672403048918 0.30289555836821 15.999 > 44 45 O 0.00320417822245 0.08735454490790 0.70655916190238 15.999 > 45 *46 O 0.77261676903987 0.49564360128518 0.59460349736480 15.999 > 46 47 O 0.37171348128600 0.83389297886595 0.59569514571352 15.999 > 47 48 O 0.21083288847118 0.72327596951082 0.69710444163179 15.999 > 48 49 O 0.20888778258867 0.28475330573610 0.77278376783010 15.999 > 49 *50 O 0.36626611177419 0.00520155747537 0.76839192560665 15.999 > 50 51 O 0.79111221741133 0.78475330573610 0.72721623216990 15.999 > 51 52 O 0.77261676903987 0.00435639871482 0.09460349736480 15.999 > 52 53 O 0.05671907685064 0.37194695620871 0.59012634628914 15.999 > 53 54 O 0.62828651871400 0.33389297886595 0.90430485428648 15.999 > 54 55 O 0.94328092314936 0.87194695620871 0.90987365371086 15.999 > 55 56 O 0.58878119105600 0.73304051596868 0.57579286863702 15.999 > 56 57 O 0.63373388822581 0.50520155747537 0.73160807439335 15.999 > 57 58 O 0.21083288847118 0.77672403048918 0.19710444163179 15.999 > 58 59 O 0.41121880894400 0.23304051596868 0.92420713136298 15.999 > 59 60 O 0.22738323096013 0.50435639871482 0.40539650263520 15.999 > 60 61 O 0.63373388822581 0.99479844252463 0.23160807439335 15.999 > 61 62 O 0.55467625649139 0.41943883097640 0.13822305741565 15.999 > 62 63 O 0.81502567192543 0.56365367287932 0.89419611814231 15.999 > 63 64 O 0.99679582177755 0.58735454490790 0.79344083809762 15.999 > 64 65 O 0.18497432807457 0.43634632712068 0.10580388185769 15.999 > 65 66 O 0.18497432807457 0.06365367287932 0.60580388185769 15.999 > 66 67 O 0.36626611177419 0.49479844252463 0.26839192560665 15.999 > 67 68 O 0.22738323096013 0.99564360128518 0.90539650263520 15.999 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.199748160046141 0.000000000000000 0.000000000000000 b 0.000000000000000 12.770147720000001 0.000000000000000 c -2.874794509425676 0.000000000000000 11.975258127198611 Atomic positions (fractional): *1 Ba 0.62759450298669 0.29719065005491 0.37493375853321 137.327 > 1 2 Ba 0.62759450298669 0.79719065005491 0.37493375853321 137.327 > 1 3 Ba 0.62759450298669 0.45280934994509 0.87493375853321 137.327 > 2 4 Ba 0.62759450298669 0.95280934994509 0.87493375853321 137.327 > 2 5 Ba 0.37240549701331 0.20280934994509 0.62506624146679 137.327 > 3 6 Ba 0.37240549701331 0.70280934994509 0.62506624146679 137.327 > 3 7 Ba 0.37240549701331 0.04719065005491 0.12506624146679 137.327 > 4 8 Ba 0.37240549701331 0.54719065005491 0.12506624146679 137.327 > 4 *9 Bi 0.77308909853324 0.07302370341192 0.62755482430771 208.980 > 5 10 Bi 0.77308909853324 0.57302370341192 0.62755482430771 208.980 > 5 *11 Bi 0.97975454582792 0.34057478220927 0.61441011088877 208.980 > 6 12 Bi 0.97975454582792 0.84057478220927 0.61441011088877 208.980 > 6 13 Bi 0.22691090146676 0.42697629658808 0.37244517569229 208.980 > 7 14 Bi 0.22691090146676 0.92697629658808 0.37244517569229 208.980 > 7 15 Bi 0.97975454582792 0.40942521779073 0.11441011088877 208.980 > 8 16 Bi 0.97975454582792 0.90942521779073 0.11441011088877 208.980 > 8 17 Bi 0.77308909853324 0.17697629658808 0.12755482430771 208.980 > 9 18 Bi 0.77308909853324 0.67697629658808 0.12755482430771 208.980 > 9 19 Bi 0.02024545417208 0.15942521779073 0.38558988911123 208.980 > 10 20 Bi 0.02024545417208 0.65942521779073 0.38558988911123 208.980 > 10 21 Bi 0.02024545417208 0.09057478220927 0.88558988911123 208.980 > 11 22 Bi 0.02024545417208 0.59057478220927 0.88558988911123 208.980 > 11 23 Bi 0.22691090146676 0.32302370341192 0.87244517569229 208.980 > 12 24 Bi 0.22691090146676 0.82302370341192 0.87244517569229 208.980 > 12 *25 B 0.28138200487864 0.45625589368921 0.66846155970815 10.811 > 13 26 B 0.28138200487864 0.95625589368921 0.66846155970815 10.811 > 13 *27 B 0.10932265471744 0.10045395957323 0.66676977069956 10.811 > 14 28 B 0.10932265471744 0.60045395957323 0.66676977069956 10.811 > 14 *29 B 0.30212794664507 0.06317472877298 0.84088098872154 10.811 > 15 30 B 0.30212794664507 0.56317472877298 0.84088098872154 10.811 > 15 31 B 0.30212794664507 0.18682527122702 0.34088098872154 10.811 > 16 32 B 0.30212794664507 0.68682527122702 0.34088098872154 10.811 > 16 *33 B 0.50546794692663 0.44456400041505 0.60285601959432 10.811 > 17 34 B 0.50546794692663 0.94456400041505 0.60285601959432 10.811 > 17 35 B 0.28138200487864 0.29374410631079 0.16846155970815 10.811 > 18 36 B 0.28138200487864 0.79374410631079 0.16846155970815 10.811 > 18 37 B 0.71861799512136 0.20625589368921 0.83153844029185 10.811 > 19 38 B 0.71861799512136 0.70625589368921 0.83153844029185 10.811 > 19 39 B 0.10932265471744 0.14954604042677 0.16676977069956 10.811 > 20 40 B 0.10932265471744 0.64954604042677 0.16676977069956 10.811 > 20 41 B 0.71861799512136 0.04374410631079 0.33153844029185 10.811 > 21 42 B 0.71861799512136 0.54374410631079 0.33153844029185 10.811 > 21 43 B 0.89067734528256 0.39954604042677 0.33323022930044 10.811 > 22 44 B 0.89067734528256 0.89954604042677 0.33323022930044 10.811 > 22 45 B 0.89067734528256 0.35045395957323 0.83323022930044 10.811 > 23 46 B 0.89067734528256 0.85045395957323 0.83323022930044 10.811 > 23 47 B 0.69787205335492 0.43682527122702 0.15911901127846 10.811 > 24 48 B 0.69787205335492 0.93682527122702 0.15911901127846 10.811 > 24 49 B 0.50546794692663 0.30543599958495 0.10285601959432 10.811 > 25 50 B 0.50546794692663 0.80543599958495 0.10285601959432 10.811 > 25 51 B 0.49453205307337 0.05543599958495 0.39714398040568 10.811 > 26 52 B 0.49453205307337 0.55543599958495 0.39714398040568 10.811 > 26 53 B 0.49453205307337 0.19456400041505 0.89714398040568 10.811 > 27 54 B 0.49453205307337 0.69456400041505 0.89714398040568 10.811 > 27 55 B 0.69787205335492 0.31317472877298 0.65911901127846 10.811 > 28 56 B 0.69787205335492 0.81317472877298 0.65911901127846 10.811 > 28 *57 O 0.99679582177755 0.45632272754605 0.29344083809762 15.999 > 29 58 O 0.99679582177755 0.95632272754605 0.29344083809762 15.999 > 29 *59 O 0.37171348128600 0.33305351056703 0.09569514571352 15.999 > 30 60 O 0.37171348128600 0.83305351056703 0.09569514571352 15.999 > 30 *61 O 0.20888778258867 0.10762334713195 0.27278376783010 15.999 > 31 62 O 0.20888778258867 0.60762334713195 0.27278376783010 15.999 > 31 *63 O 0.58878119105600 0.38347974201566 0.07579286863702 15.999 > 32 64 O 0.58878119105600 0.88347974201566 0.07579286863702 15.999 > 32 *65 O 0.44532374350861 0.29028058451180 0.86177694258435 15.999 > 33 66 O 0.44532374350861 0.79028058451180 0.86177694258435 15.999 > 33 67 O 0.44532374350861 0.45971941548820 0.36177694258435 15.999 > 34 68 O 0.44532374350861 0.95971941548820 0.36177694258435 15.999 > 34 69 O 0.00320417822245 0.20632272754605 0.20655916190238 15.999 > 35 70 O 0.00320417822245 0.70632272754605 0.20655916190238 15.999 > 35 71 O 0.41121880894400 0.13347974201566 0.42420713136298 15.999 > 36 72 O 0.41121880894400 0.63347974201566 0.42420713136298 15.999 > 36 73 O 0.79111221741133 0.35762334713195 0.22721623216990 15.999 > 37 74 O 0.79111221741133 0.85762334713195 0.22721623216990 15.999 > 37 *75 O 0.94328092314936 0.31402652189565 0.40987365371086 15.999 > 38 76 O 0.94328092314936 0.81402652189565 0.40987365371086 15.999 > 38 77 O 0.05671907685064 0.06402652189565 0.09012634628914 15.999 > 39 78 O 0.05671907685064 0.56402652189565 0.09012634628914 15.999 > 39 *79 O 0.78916711152883 0.11163798475541 0.80289555836821 15.999 > 40 80 O 0.78916711152883 0.61163798475541 0.80289555836821 15.999 > 40 81 O 0.62828651871400 0.08305351056703 0.40430485428648 15.999 > 41 82 O 0.62828651871400 0.58305351056703 0.40430485428648 15.999 > 41 *83 O 0.81502567192543 0.46817316356034 0.39419611814231 15.999 > 42 84 O 0.81502567192543 0.96817316356034 0.39419611814231 15.999 > 42 85 O 0.55467625649139 0.04028058451180 0.63822305741565 15.999 > 43 86 O 0.55467625649139 0.54028058451180 0.63822305741565 15.999 > 43 87 O 0.78916711152883 0.13836201524459 0.30289555836821 15.999 > 44 88 O 0.78916711152883 0.63836201524459 0.30289555836821 15.999 > 44 89 O 0.00320417822245 0.04367727245395 0.70655916190238 15.999 > 45 90 O 0.00320417822245 0.54367727245395 0.70655916190238 15.999 > 45 *91 O 0.77261676903987 0.24782180064259 0.59460349736480 15.999 > 46 92 O 0.77261676903987 0.74782180064259 0.59460349736480 15.999 > 46 93 O 0.37171348128600 0.41694648943297 0.59569514571352 15.999 > 47 94 O 0.37171348128600 0.91694648943297 0.59569514571352 15.999 > 47 95 O 0.21083288847118 0.36163798475541 0.69710444163179 15.999 > 48 96 O 0.21083288847118 0.86163798475541 0.69710444163179 15.999 > 48 97 O 0.20888778258867 0.14237665286805 0.77278376783010 15.999 > 49 98 O 0.20888778258867 0.64237665286805 0.77278376783010 15.999 > 49 *99 O 0.36626611177419 0.00260077873768 0.76839192560665 15.999 > 50 100 O 0.36626611177419 0.50260077873768 0.76839192560665 15.999 > 50 101 O 0.79111221741133 0.39237665286805 0.72721623216990 15.999 > 51 102 O 0.79111221741133 0.89237665286805 0.72721623216990 15.999 > 51 103 O 0.77261676903987 0.00217819935741 0.09460349736480 15.999 > 52 104 O 0.77261676903987 0.50217819935741 0.09460349736480 15.999 > 52 105 O 0.05671907685064 0.18597347810435 0.59012634628914 15.999 > 53 106 O 0.05671907685064 0.68597347810435 0.59012634628914 15.999 > 53 107 O 0.62828651871400 0.16694648943297 0.90430485428648 15.999 > 54 108 O 0.62828651871400 0.66694648943297 0.90430485428648 15.999 > 54 109 O 0.94328092314936 0.43597347810435 0.90987365371086 15.999 > 55 110 O 0.94328092314936 0.93597347810435 0.90987365371086 15.999 > 55 111 O 0.58878119105600 0.36652025798434 0.57579286863702 15.999 > 56 112 O 0.58878119105600 0.86652025798434 0.57579286863702 15.999 > 56 113 O 0.63373388822581 0.25260077873768 0.73160807439335 15.999 > 57 114 O 0.63373388822581 0.75260077873768 0.73160807439335 15.999 > 57 115 O 0.21083288847118 0.38836201524459 0.19710444163179 15.999 > 58 116 O 0.21083288847118 0.88836201524459 0.19710444163179 15.999 > 58 117 O 0.41121880894400 0.11652025798434 0.92420713136298 15.999 > 59 118 O 0.41121880894400 0.61652025798434 0.92420713136298 15.999 > 59 119 O 0.22738323096013 0.25217819935741 0.40539650263520 15.999 > 60 120 O 0.22738323096013 0.75217819935741 0.40539650263520 15.999 > 60 121 O 0.63373388822581 0.49739922126232 0.23160807439335 15.999 > 61 122 O 0.63373388822581 0.99739922126232 0.23160807439335 15.999 > 61 123 O 0.55467625649139 0.20971941548820 0.13822305741565 15.999 > 62 124 O 0.55467625649139 0.70971941548820 0.13822305741565 15.999 > 62 125 O 0.81502567192543 0.28182683643966 0.89419611814231 15.999 > 63 126 O 0.81502567192543 0.78182683643966 0.89419611814231 15.999 > 63 127 O 0.99679582177755 0.29367727245395 0.79344083809762 15.999 > 64 128 O 0.99679582177755 0.79367727245395 0.79344083809762 15.999 > 64 129 O 0.18497432807457 0.21817316356034 0.10580388185769 15.999 > 65 130 O 0.18497432807457 0.71817316356034 0.10580388185769 15.999 > 65 131 O 0.18497432807457 0.03182683643966 0.60580388185769 15.999 > 66 132 O 0.18497432807457 0.53182683643966 0.60580388185769 15.999 > 66 133 O 0.36626611177419 0.24739922126232 0.26839192560665 15.999 > 67 134 O 0.36626611177419 0.74739922126232 0.26839192560665 15.999 > 67 135 O 0.22738323096013 0.49782180064259 0.90539650263520 15.999 > 68 136 O 0.22738323096013 0.99782180064259 0.90539650263520 15.999 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2588483 0.0000000 0.0653644 0.0000000 4.2774792 0.0000000 0.0653658 0.0000000 4.1320733 -------------------------- Born effective charges -------------------------- 1 Ba 3.1402948 -0.0674679 -0.0465639 -0.0872862 2.7649690 -0.0722688 0.0072622 0.0569137 2.7823528 2 Ba 3.1402948 0.0674679 -0.0465639 0.0872862 2.7649690 0.0722688 0.0072622 -0.0569137 2.7823528 3 Ba 3.1402948 -0.0674679 -0.0465639 -0.0872862 2.7649690 -0.0722688 0.0072622 0.0569137 2.7823528 4 Ba 3.1402948 0.0674679 -0.0465639 0.0872862 2.7649690 0.0722688 0.0072622 -0.0569137 2.7823528 5 Bi 4.0479507 0.3856594 0.6384768 0.2072253 4.3967395 -0.4093873 0.6307732 -0.2174858 3.8942782 6 Bi 3.7927221 -0.0446541 0.0633207 0.3494481 3.9328105 0.6277942 -0.0995536 0.8297303 4.7811260 7 Bi 4.0479507 0.3856594 0.6384768 0.2072253 4.3967395 -0.4093873 0.6307732 -0.2174858 3.8942782 8 Bi 3.7927221 0.0446541 0.0633207 -0.3494481 3.9328105 -0.6277942 -0.0995536 -0.8297303 4.7811260 9 Bi 4.0479507 -0.3856594 0.6384768 -0.2072253 4.3967395 0.4093873 0.6307732 0.2174858 3.8942782 10 Bi 3.7927221 -0.0446541 0.0633207 0.3494481 3.9328105 0.6277942 -0.0995536 0.8297303 4.7811260 11 Bi 3.7927221 0.0446541 0.0633207 -0.3494481 3.9328105 -0.6277942 -0.0995536 -0.8297303 4.7811260 12 Bi 4.0479507 -0.3856594 0.6384768 -0.2072253 4.3967395 0.4093873 0.6307732 0.2174858 3.8942782 13 B 2.8293056 0.0823779 -0.4586193 0.1485158 2.8256550 -0.1537557 -0.4092859 -0.2576472 2.0751774 14 B 2.5263393 0.1719311 -0.2348659 0.0662726 2.4878684 -0.5945420 -0.2145568 -0.6238847 2.2764125 15 B 2.5858233 0.2194425 0.1234480 0.5061779 2.4216836 -0.3048042 0.0905262 0.0785398 2.1081975 16 B 2.5858233 -0.2194425 0.1234480 -0.5061779 2.4216836 0.3048042 0.0905262 -0.0785398 2.1081975 17 B 3.2834402 0.7151751 0.3727807 0.0444111 2.5911690 0.5923679 0.3145425 0.5446312 1.0249030 18 B 2.8293056 -0.0823779 -0.4586193 -0.1485158 2.8256550 0.1537557 -0.4092859 0.2576472 2.0751774 19 B 2.8293056 -0.0823779 -0.4586193 -0.1485158 2.8256550 0.1537557 -0.4092859 0.2576472 2.0751774 20 B 2.5263393 -0.1719311 -0.2348659 -0.0662726 2.4878684 0.5945420 -0.2145568 0.6238847 2.2764125 21 B 2.8293056 0.0823779 -0.4586193 0.1485158 2.8256550 -0.1537557 -0.4092859 -0.2576472 2.0751774 22 B 2.5263393 0.1719311 -0.2348659 0.0662726 2.4878684 -0.5945420 -0.2145568 -0.6238847 2.2764125 23 B 2.5263393 -0.1719311 -0.2348659 -0.0662726 2.4878684 0.5945420 -0.2145568 0.6238847 2.2764125 24 B 2.5858233 0.2194425 0.1234480 0.5061779 2.4216836 -0.3048042 0.0905262 0.0785398 2.1081975 25 B 3.2834402 -0.7151751 0.3727807 -0.0444111 2.5911690 -0.5923679 0.3145425 -0.5446312 1.0249030 26 B 3.2834402 0.7151751 0.3727807 0.0444111 2.5911690 0.5923679 0.3145425 0.5446312 1.0249030 27 B 3.2834402 -0.7151751 0.3727807 -0.0444111 2.5911690 -0.5923679 0.3145425 -0.5446312 1.0249030 28 B 2.5858233 -0.2194425 0.1234480 -0.5061779 2.4216836 0.3048042 0.0905262 -0.0785398 2.1081975 29 O -2.5322340 -0.1831350 -0.1530763 -0.3007006 -1.7575035 -0.1878357 0.1070973 -0.1961070 -2.5037867 30 O -3.1671671 0.2486866 0.1028292 0.1218288 -1.4830099 0.0856642 0.0711294 0.1319170 -1.7055373 31 O -2.0223931 0.0673668 -0.1856604 0.2038315 -2.2672996 0.0150480 -0.2585413 0.0610568 -2.1479076 32 O -2.1967863 -0.6800242 -0.1818931 -0.8284647 -2.0333607 0.0004760 -0.2920273 -0.0615700 -1.5158006 33 O -2.7287638 0.8023041 -0.2425468 0.3643187 -2.0369963 0.2643589 -0.3599626 0.3736118 -1.2091093 34 O -2.7287638 -0.8023041 -0.2425468 -0.3643187 -2.0369963 -0.2643589 -0.3599626 -0.3736118 -1.2091093 35 O -2.5322340 0.1831350 -0.1530763 0.3007006 -1.7575035 0.1878357 0.1070973 0.1961070 -2.5037867 36 O -2.1967863 0.6800242 -0.1818931 0.8284647 -2.0333607 -0.0004760 -0.2920273 0.0615700 -1.5158006 37 O -2.0223931 -0.0673668 -0.1856604 -0.2038315 -2.2672996 -0.0150480 -0.2585413 -0.0610568 -2.1479076 38 O -1.3138813 0.4790861 0.0641386 0.4939516 -2.6030999 0.5733899 0.1419558 0.0007134 -2.5666684 39 O -1.3138813 -0.4790861 0.0641386 -0.4939516 -2.6030999 -0.5733899 0.1419558 -0.0007134 -2.5666684 40 O -2.2393133 0.4031589 -0.2147654 0.6880518 -1.9679547 -0.2459112 0.0283169 -0.4263050 -2.1337308 41 O -3.1671671 -0.2486866 0.1028292 -0.1218288 -1.4830099 -0.0856642 0.0711294 -0.1319170 -1.7055373 42 O -2.0337957 0.5973027 0.1605884 0.6522519 -2.4462232 0.0637183 0.2174014 0.1013794 -1.7188656 43 O -2.7287638 -0.8023041 -0.2425468 -0.3643187 -2.0369963 -0.2643589 -0.3599626 -0.3736118 -1.2091093 44 O -2.2393133 -0.4031589 -0.2147654 -0.6880518 -1.9679547 0.2459112 0.0283169 0.4263050 -2.1337308 45 O -2.5322340 -0.1831350 -0.1530763 -0.3007006 -1.7575035 -0.1878357 0.1070973 -0.1961070 -2.5037867 46 O -2.0049269 -0.3418965 0.1535574 -0.0855502 -3.0995361 -0.1971370 0.0384457 0.0122178 -1.4979846 47 O -3.1671671 -0.2486866 0.1028292 -0.1218288 -1.4830099 -0.0856642 0.0711294 -0.1319170 -1.7055373 48 O -2.2393133 -0.4031589 -0.2147654 -0.6880518 -1.9679547 0.2459112 0.0283169 0.4263050 -2.1337308 49 O -2.0223931 -0.0673668 -0.1856604 -0.2038315 -2.2672996 -0.0150480 -0.2585413 -0.0610568 -2.1479076 50 O -1.9666146 0.0191110 0.0388512 0.0834853 -1.7259112 -0.4437235 -0.0135232 -0.4480330 -1.9430566 51 O -2.0223931 0.0673668 -0.1856604 0.2038315 -2.2672996 0.0150480 -0.2585413 0.0610568 -2.1479076 52 O -2.0049269 0.3418965 0.1535574 0.0855502 -3.0995361 0.1971370 0.0384457 -0.0122178 -1.4979846 53 O -1.3138813 0.4790861 0.0641386 0.4939516 -2.6030999 0.5733899 0.1419558 0.0007134 -2.5666684 54 O -3.1671671 0.2486866 0.1028292 0.1218288 -1.4830099 0.0856642 0.0711294 0.1319170 -1.7055373 55 O -1.3138813 -0.4790861 0.0641386 -0.4939516 -2.6030999 -0.5733899 0.1419558 -0.0007134 -2.5666684 56 O -2.1967863 0.6800242 -0.1818931 0.8284647 -2.0333607 -0.0004760 -0.2920273 0.0615700 -1.5158006 57 O -1.9666146 -0.0191110 0.0388512 -0.0834853 -1.7259112 0.4437235 -0.0135232 0.4480330 -1.9430566 58 O -2.2393133 0.4031589 -0.2147654 0.6880518 -1.9679547 -0.2459112 0.0283169 -0.4263050 -2.1337308 59 O -2.1967863 -0.6800242 -0.1818931 -0.8284647 -2.0333607 0.0004760 -0.2920273 -0.0615700 -1.5158006 60 O -2.0049269 -0.3418965 0.1535574 -0.0855502 -3.0995361 -0.1971370 0.0384457 0.0122178 -1.4979846 61 O -1.9666146 0.0191110 0.0388512 0.0834853 -1.7259112 -0.4437235 -0.0135232 -0.4480330 -1.9430566 62 O -2.7287638 0.8023041 -0.2425468 0.3643187 -2.0369963 0.2643589 -0.3599626 0.3736118 -1.2091093 63 O -2.0337957 -0.5973027 0.1605884 -0.6522519 -2.4462232 -0.0637183 0.2174014 -0.1013794 -1.7188656 64 O -2.5322340 0.1831350 -0.1530763 0.3007006 -1.7575035 0.1878357 0.1070973 0.1961070 -2.5037867 65 O -2.0337957 -0.5973027 0.1605884 -0.6522519 -2.4462232 -0.0637183 0.2174014 -0.1013794 -1.7188656 66 O -2.0337957 0.5973027 0.1605884 0.6522519 -2.4462232 0.0637183 0.2174014 0.1013794 -1.7188656 67 O -1.9666146 -0.0191110 0.0388512 -0.0834853 -1.7259112 0.4437235 -0.0135232 0.4480330 -1.9430566 68 O -2.0049269 0.3418965 0.1535574 0.0855502 -3.0995361 0.1971370 0.0384457 -0.0122178 -1.4979846 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10557 Number of blocks in projector: 10557 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 2312 / 2312 (1) 294 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (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: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 2312 / 2312 (1) 294 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10557, 10405), data: False |-- (1207, 1190), data: False |-- (1207, 30), data: (1207, 47) @ (47, 30) |-- (207, 190), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 30), data: (1207, 47) @ (47, 30) |-- (207, 190), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 294), data: True |-- (500, 469), data: False |-- (500, 26), data: (500, 57) @ (57, 26) |-- (250, 224), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 22), data: (500, 55) @ (55, 22) |-- (250, 217), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 294), data: True |-- (500, 469), data: False |-- (500, 26), data: (500, 57) @ (57, 26) |-- (250, 224), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 22), data: (500, 55) @ (55, 22) |-- (250, 217), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 3.462 Solver_block: 200 / 2080 - Time: 3.026 Solver_block: 300 / 2080 - Time: 3.029 Solver_block: 400 / 2080 - Time: 3.024 Solver_block: 500 / 2080 - Time: 3.031 Solver_block: 600 / 2080 - Time: 3.033 Solver_block: 700 / 2080 - Time: 3.031 Solver_block: 800 / 2080 - Time: 3.017 Solver_block: 900 / 2080 - Time: 3.033 Solver_block: 1000 / 2080 - Time: 3.025 Solver_block: 1100 / 2080 - Time: 3.035 Solver_block: 1200 / 2080 - Time: 3.026 Solver_block: 1300 / 2080 - Time: 3.032 Solver_block: 1400 / 2080 - Time: 3.037 Solver_block: 1500 / 2080 - Time: 3.030 Solver_block: 1600 / 2080 - Time: 3.028 Solver_block: 1700 / 2080 - Time: 3.024 Solver_block: 1800 / 2080 - Time: 3.031 Solver_block: 1900 / 2080 - Time: 3.023 Solver_block: 2000 / 2080 - Time: 3.032 Solver_block: 2080 / 2080 - Time: 2.513 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 65.482 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10557 Number of blocks in projector: 10557 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 2312 / 2312 (1) 294 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (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: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 2312 / 2312 (1) 294 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10557, 10405), data: False |-- (1207, 1190), data: False |-- (1207, 30), data: (1207, 47) @ (47, 30) |-- (207, 190), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 30), data: (1207, 47) @ (47, 30) |-- (207, 190), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 294), data: True |-- (500, 469), data: False |-- (500, 26), data: (500, 57) @ (57, 26) |-- (250, 224), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 22), data: (500, 55) @ (55, 22) |-- (250, 217), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 294), data: True |-- (500, 469), data: False |-- (500, 26), data: (500, 57) @ (57, 26) |-- (250, 224), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 22), data: (500, 55) @ (55, 22) |-- (250, 217), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:02:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:02:58]------------------------- 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 10.199748160046141 0.000000000000000 0.000000000000000 b 0.000000000000000 6.385073860000000 0.000000000000000 c -2.874794509425676 0.000000000000000 11.975258127198611 Atomic positions (fractional): 1 Ba 0.62759450298669 0.59438130010982 0.37493375853321 137.327 2 Ba 0.62759450298669 0.90561869989018 0.87493375853321 137.327 3 Ba 0.37240549701331 0.40561869989018 0.62506624146679 137.327 4 Ba 0.37240549701331 0.09438130010982 0.12506624146679 137.327 5 Bi 0.77308909853324 0.14604740682385 0.62755482430771 208.980 6 Bi 0.97975454582792 0.68114956441854 0.61441011088877 208.980 7 Bi 0.22691090146676 0.85395259317616 0.37244517569229 208.980 8 Bi 0.97975454582792 0.81885043558146 0.11441011088877 208.980 9 Bi 0.77308909853324 0.35395259317616 0.12755482430771 208.980 10 Bi 0.02024545417208 0.31885043558146 0.38558988911123 208.980 11 Bi 0.02024545417208 0.18114956441854 0.88558988911123 208.980 12 Bi 0.22691090146676 0.64604740682384 0.87244517569229 208.980 13 B 0.28138200487864 0.91251178737841 0.66846155970815 10.811 14 B 0.10932265471744 0.20090791914646 0.66676977069956 10.811 15 B 0.30212794664507 0.12634945754596 0.84088098872154 10.811 16 B 0.30212794664507 0.37365054245404 0.34088098872154 10.811 17 B 0.50546794692663 0.88912800083010 0.60285601959432 10.811 18 B 0.28138200487864 0.58748821262159 0.16846155970815 10.811 19 B 0.71861799512136 0.41251178737841 0.83153844029185 10.811 20 B 0.10932265471744 0.29909208085354 0.16676977069956 10.811 21 B 0.71861799512136 0.08748821262159 0.33153844029185 10.811 22 B 0.89067734528256 0.79909208085354 0.33323022930044 10.811 23 B 0.89067734528256 0.70090791914646 0.83323022930044 10.811 24 B 0.69787205335492 0.87365054245404 0.15911901127846 10.811 25 B 0.50546794692663 0.61087199916990 0.10285601959432 10.811 26 B 0.49453205307337 0.11087199916990 0.39714398040568 10.811 27 B 0.49453205307337 0.38912800083010 0.89714398040568 10.811 28 B 0.69787205335492 0.62634945754596 0.65911901127846 10.811 29 O 0.99679582177755 0.91264545509210 0.29344083809762 15.999 30 O 0.37171348128600 0.66610702113405 0.09569514571352 15.999 31 O 0.20888778258867 0.21524669426390 0.27278376783010 15.999 32 O 0.58878119105600 0.76695948403132 0.07579286863702 15.999 33 O 0.44532374350861 0.58056116902360 0.86177694258435 15.999 34 O 0.44532374350861 0.91943883097640 0.36177694258435 15.999 35 O 0.00320417822245 0.41264545509210 0.20655916190238 15.999 36 O 0.41121880894400 0.26695948403132 0.42420713136298 15.999 37 O 0.79111221741133 0.71524669426390 0.22721623216990 15.999 38 O 0.94328092314936 0.62805304379129 0.40987365371086 15.999 39 O 0.05671907685064 0.12805304379129 0.09012634628914 15.999 40 O 0.78916711152883 0.22327596951082 0.80289555836821 15.999 41 O 0.62828651871400 0.16610702113405 0.40430485428648 15.999 42 O 0.81502567192543 0.93634632712068 0.39419611814231 15.999 43 O 0.55467625649139 0.08056116902360 0.63822305741565 15.999 44 O 0.78916711152883 0.27672403048918 0.30289555836821 15.999 45 O 0.00320417822245 0.08735454490790 0.70655916190238 15.999 46 O 0.77261676903987 0.49564360128518 0.59460349736480 15.999 47 O 0.37171348128600 0.83389297886595 0.59569514571352 15.999 48 O 0.21083288847118 0.72327596951082 0.69710444163179 15.999 49 O 0.20888778258867 0.28475330573610 0.77278376783010 15.999 50 O 0.36626611177419 0.00520155747537 0.76839192560665 15.999 51 O 0.79111221741133 0.78475330573610 0.72721623216990 15.999 52 O 0.77261676903987 0.00435639871482 0.09460349736480 15.999 53 O 0.05671907685064 0.37194695620871 0.59012634628914 15.999 54 O 0.62828651871400 0.33389297886595 0.90430485428648 15.999 55 O 0.94328092314936 0.87194695620871 0.90987365371086 15.999 56 O 0.58878119105600 0.73304051596868 0.57579286863702 15.999 57 O 0.63373388822581 0.50520155747537 0.73160807439335 15.999 58 O 0.21083288847118 0.77672403048918 0.19710444163179 15.999 59 O 0.41121880894400 0.23304051596868 0.92420713136298 15.999 60 O 0.22738323096013 0.50435639871482 0.40539650263520 15.999 61 O 0.63373388822581 0.99479844252463 0.23160807439335 15.999 62 O 0.55467625649139 0.41943883097640 0.13822305741565 15.999 63 O 0.81502567192543 0.56365367287932 0.89419611814231 15.999 64 O 0.99679582177755 0.58735454490790 0.79344083809762 15.999 65 O 0.18497432807457 0.43634632712068 0.10580388185769 15.999 66 O 0.18497432807457 0.06365367287932 0.60580388185769 15.999 67 O 0.36626611177419 0.49479844252463 0.26839192560665 15.999 68 O 0.22738323096013 0.99564360128518 0.90539650263520 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.199748160046141 0.000000000000000 0.000000000000000 b 0.000000000000000 12.770147720000001 0.000000000000000 c -2.874794509425676 0.000000000000000 11.975258127198611 Atomic positions (fractional): 1 Ba 0.62759450298669 0.29719065005491 0.37493375853321 137.327 > 1 2 Ba 0.62759450298669 0.79719065005491 0.37493375853321 137.327 > 1 3 Ba 0.62759450298669 0.45280934994509 0.87493375853321 137.327 > 3 4 Ba 0.62759450298669 0.95280934994509 0.87493375853321 137.327 > 3 5 Ba 0.37240549701331 0.20280934994509 0.62506624146679 137.327 > 5 6 Ba 0.37240549701331 0.70280934994509 0.62506624146679 137.327 > 5 7 Ba 0.37240549701331 0.04719065005491 0.12506624146679 137.327 > 7 8 Ba 0.37240549701331 0.54719065005491 0.12506624146679 137.327 > 7 9 Bi 0.77308909853324 0.07302370341192 0.62755482430771 208.980 > 9 10 Bi 0.77308909853324 0.57302370341192 0.62755482430771 208.980 > 9 11 Bi 0.97975454582792 0.34057478220927 0.61441011088877 208.980 > 11 12 Bi 0.97975454582792 0.84057478220927 0.61441011088877 208.980 > 11 13 Bi 0.22691090146676 0.42697629658808 0.37244517569229 208.980 > 13 14 Bi 0.22691090146676 0.92697629658808 0.37244517569229 208.980 > 13 15 Bi 0.97975454582792 0.40942521779073 0.11441011088877 208.980 > 15 16 Bi 0.97975454582792 0.90942521779073 0.11441011088877 208.980 > 15 17 Bi 0.77308909853324 0.17697629658808 0.12755482430771 208.980 > 17 18 Bi 0.77308909853324 0.67697629658808 0.12755482430771 208.980 > 17 19 Bi 0.02024545417208 0.15942521779073 0.38558988911123 208.980 > 19 20 Bi 0.02024545417208 0.65942521779073 0.38558988911123 208.980 > 19 21 Bi 0.02024545417208 0.09057478220927 0.88558988911123 208.980 > 21 22 Bi 0.02024545417208 0.59057478220927 0.88558988911123 208.980 > 21 23 Bi 0.22691090146676 0.32302370341192 0.87244517569229 208.980 > 23 24 Bi 0.22691090146676 0.82302370341192 0.87244517569229 208.980 > 23 25 B 0.28138200487864 0.45625589368921 0.66846155970815 10.811 > 25 26 B 0.28138200487864 0.95625589368921 0.66846155970815 10.811 > 25 27 B 0.10932265471744 0.10045395957323 0.66676977069956 10.811 > 27 28 B 0.10932265471744 0.60045395957323 0.66676977069956 10.811 > 27 29 B 0.30212794664507 0.06317472877298 0.84088098872154 10.811 > 29 30 B 0.30212794664507 0.56317472877298 0.84088098872154 10.811 > 29 31 B 0.30212794664507 0.18682527122702 0.34088098872154 10.811 > 31 32 B 0.30212794664507 0.68682527122702 0.34088098872154 10.811 > 31 33 B 0.50546794692663 0.44456400041505 0.60285601959432 10.811 > 33 34 B 0.50546794692663 0.94456400041505 0.60285601959432 10.811 > 33 35 B 0.28138200487864 0.29374410631079 0.16846155970815 10.811 > 35 36 B 0.28138200487864 0.79374410631079 0.16846155970815 10.811 > 35 37 B 0.71861799512136 0.20625589368921 0.83153844029185 10.811 > 37 38 B 0.71861799512136 0.70625589368921 0.83153844029185 10.811 > 37 39 B 0.10932265471744 0.14954604042677 0.16676977069956 10.811 > 39 40 B 0.10932265471744 0.64954604042677 0.16676977069956 10.811 > 39 41 B 0.71861799512136 0.04374410631079 0.33153844029185 10.811 > 41 42 B 0.71861799512136 0.54374410631079 0.33153844029185 10.811 > 41 43 B 0.89067734528256 0.39954604042677 0.33323022930044 10.811 > 43 44 B 0.89067734528256 0.89954604042677 0.33323022930044 10.811 > 43 45 B 0.89067734528256 0.35045395957323 0.83323022930044 10.811 > 45 46 B 0.89067734528256 0.85045395957323 0.83323022930044 10.811 > 45 47 B 0.69787205335492 0.43682527122702 0.15911901127846 10.811 > 47 48 B 0.69787205335492 0.93682527122702 0.15911901127846 10.811 > 47 49 B 0.50546794692663 0.30543599958495 0.10285601959432 10.811 > 49 50 B 0.50546794692663 0.80543599958495 0.10285601959432 10.811 > 49 51 B 0.49453205307337 0.05543599958495 0.39714398040568 10.811 > 51 52 B 0.49453205307337 0.55543599958495 0.39714398040568 10.811 > 51 53 B 0.49453205307337 0.19456400041505 0.89714398040568 10.811 > 53 54 B 0.49453205307337 0.69456400041505 0.89714398040568 10.811 > 53 55 B 0.69787205335492 0.31317472877298 0.65911901127846 10.811 > 55 56 B 0.69787205335492 0.81317472877298 0.65911901127846 10.811 > 55 57 O 0.99679582177755 0.45632272754605 0.29344083809762 15.999 > 57 58 O 0.99679582177755 0.95632272754605 0.29344083809762 15.999 > 57 59 O 0.37171348128600 0.33305351056703 0.09569514571352 15.999 > 59 60 O 0.37171348128600 0.83305351056703 0.09569514571352 15.999 > 59 61 O 0.20888778258867 0.10762334713195 0.27278376783010 15.999 > 61 62 O 0.20888778258867 0.60762334713195 0.27278376783010 15.999 > 61 63 O 0.58878119105600 0.38347974201566 0.07579286863702 15.999 > 63 64 O 0.58878119105600 0.88347974201566 0.07579286863702 15.999 > 63 65 O 0.44532374350861 0.29028058451180 0.86177694258435 15.999 > 65 66 O 0.44532374350861 0.79028058451180 0.86177694258435 15.999 > 65 67 O 0.44532374350861 0.45971941548820 0.36177694258435 15.999 > 67 68 O 0.44532374350861 0.95971941548820 0.36177694258435 15.999 > 67 69 O 0.00320417822245 0.20632272754605 0.20655916190238 15.999 > 69 70 O 0.00320417822245 0.70632272754605 0.20655916190238 15.999 > 69 71 O 0.41121880894400 0.13347974201566 0.42420713136298 15.999 > 71 72 O 0.41121880894400 0.63347974201566 0.42420713136298 15.999 > 71 73 O 0.79111221741133 0.35762334713195 0.22721623216990 15.999 > 73 74 O 0.79111221741133 0.85762334713195 0.22721623216990 15.999 > 73 75 O 0.94328092314936 0.31402652189565 0.40987365371086 15.999 > 75 76 O 0.94328092314936 0.81402652189565 0.40987365371086 15.999 > 75 77 O 0.05671907685064 0.06402652189565 0.09012634628914 15.999 > 77 78 O 0.05671907685064 0.56402652189565 0.09012634628914 15.999 > 77 79 O 0.78916711152883 0.11163798475541 0.80289555836821 15.999 > 79 80 O 0.78916711152883 0.61163798475541 0.80289555836821 15.999 > 79 81 O 0.62828651871400 0.08305351056703 0.40430485428648 15.999 > 81 82 O 0.62828651871400 0.58305351056703 0.40430485428648 15.999 > 81 83 O 0.81502567192543 0.46817316356034 0.39419611814231 15.999 > 83 84 O 0.81502567192543 0.96817316356034 0.39419611814231 15.999 > 83 85 O 0.55467625649139 0.04028058451180 0.63822305741565 15.999 > 85 86 O 0.55467625649139 0.54028058451180 0.63822305741565 15.999 > 85 87 O 0.78916711152883 0.13836201524459 0.30289555836821 15.999 > 87 88 O 0.78916711152883 0.63836201524459 0.30289555836821 15.999 > 87 89 O 0.00320417822245 0.04367727245395 0.70655916190238 15.999 > 89 90 O 0.00320417822245 0.54367727245395 0.70655916190238 15.999 > 89 91 O 0.77261676903987 0.24782180064259 0.59460349736480 15.999 > 91 92 O 0.77261676903987 0.74782180064259 0.59460349736480 15.999 > 91 93 O 0.37171348128600 0.41694648943297 0.59569514571352 15.999 > 93 94 O 0.37171348128600 0.91694648943297 0.59569514571352 15.999 > 93 95 O 0.21083288847118 0.36163798475541 0.69710444163179 15.999 > 95 96 O 0.21083288847118 0.86163798475541 0.69710444163179 15.999 > 95 97 O 0.20888778258867 0.14237665286805 0.77278376783010 15.999 > 97 98 O 0.20888778258867 0.64237665286805 0.77278376783010 15.999 > 97 99 O 0.36626611177419 0.00260077873768 0.76839192560665 15.999 > 99 100 O 0.36626611177419 0.50260077873768 0.76839192560665 15.999 > 99 101 O 0.79111221741133 0.39237665286805 0.72721623216990 15.999 > 101 102 O 0.79111221741133 0.89237665286805 0.72721623216990 15.999 > 101 103 O 0.77261676903987 0.00217819935741 0.09460349736480 15.999 > 103 104 O 0.77261676903987 0.50217819935741 0.09460349736480 15.999 > 103 105 O 0.05671907685064 0.18597347810435 0.59012634628914 15.999 > 105 106 O 0.05671907685064 0.68597347810435 0.59012634628914 15.999 > 105 107 O 0.62828651871400 0.16694648943297 0.90430485428648 15.999 > 107 108 O 0.62828651871400 0.66694648943297 0.90430485428648 15.999 > 107 109 O 0.94328092314936 0.43597347810435 0.90987365371086 15.999 > 109 110 O 0.94328092314936 0.93597347810435 0.90987365371086 15.999 > 109 111 O 0.58878119105600 0.36652025798434 0.57579286863702 15.999 > 111 112 O 0.58878119105600 0.86652025798434 0.57579286863702 15.999 > 111 113 O 0.63373388822581 0.25260077873768 0.73160807439335 15.999 > 113 114 O 0.63373388822581 0.75260077873768 0.73160807439335 15.999 > 113 115 O 0.21083288847118 0.38836201524459 0.19710444163179 15.999 > 115 116 O 0.21083288847118 0.88836201524459 0.19710444163179 15.999 > 115 117 O 0.41121880894400 0.11652025798434 0.92420713136298 15.999 > 117 118 O 0.41121880894400 0.61652025798434 0.92420713136298 15.999 > 117 119 O 0.22738323096013 0.25217819935741 0.40539650263520 15.999 > 119 120 O 0.22738323096013 0.75217819935741 0.40539650263520 15.999 > 119 121 O 0.63373388822581 0.49739922126232 0.23160807439335 15.999 > 121 122 O 0.63373388822581 0.99739922126232 0.23160807439335 15.999 > 121 123 O 0.55467625649139 0.20971941548820 0.13822305741565 15.999 > 123 124 O 0.55467625649139 0.70971941548820 0.13822305741565 15.999 > 123 125 O 0.81502567192543 0.28182683643966 0.89419611814231 15.999 > 125 126 O 0.81502567192543 0.78182683643966 0.89419611814231 15.999 > 125 127 O 0.99679582177755 0.29367727245395 0.79344083809762 15.999 > 127 128 O 0.99679582177755 0.79367727245395 0.79344083809762 15.999 > 127 129 O 0.18497432807457 0.21817316356034 0.10580388185769 15.999 > 129 130 O 0.18497432807457 0.71817316356034 0.10580388185769 15.999 > 129 131 O 0.18497432807457 0.03182683643966 0.60580388185769 15.999 > 131 132 O 0.18497432807457 0.53182683643966 0.60580388185769 15.999 > 131 133 O 0.36626611177419 0.24739922126232 0.26839192560665 15.999 > 133 134 O 0.36626611177419 0.74739922126232 0.26839192560665 15.999 > 133 135 O 0.22738323096013 0.49782180064259 0.90539650263520 15.999 > 135 136 O 0.22738323096013 0.99782180064259 0.90539650263520 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2588483 0.0000000 0.0653644 0.0000000 4.2774792 0.0000000 0.0653658 0.0000000 4.1320733 -------------------------- Born effective charges -------------------------- 1 Ba 3.1402948 -0.0674679 -0.0465639 -0.0872862 2.7649690 -0.0722688 0.0072622 0.0569137 2.7823528 2 Ba 3.1402948 0.0674679 -0.0465639 0.0872862 2.7649690 0.0722688 0.0072622 -0.0569137 2.7823528 3 Ba 3.1402948 -0.0674679 -0.0465639 -0.0872862 2.7649690 -0.0722688 0.0072622 0.0569137 2.7823528 4 Ba 3.1402948 0.0674679 -0.0465639 0.0872862 2.7649690 0.0722688 0.0072622 -0.0569137 2.7823528 5 Bi 4.0479507 0.3856594 0.6384768 0.2072253 4.3967395 -0.4093873 0.6307732 -0.2174858 3.8942782 6 Bi 3.7927221 -0.0446541 0.0633207 0.3494481 3.9328105 0.6277942 -0.0995536 0.8297303 4.7811260 7 Bi 4.0479507 0.3856594 0.6384768 0.2072253 4.3967395 -0.4093873 0.6307732 -0.2174858 3.8942782 8 Bi 3.7927221 0.0446541 0.0633207 -0.3494481 3.9328105 -0.6277942 -0.0995536 -0.8297303 4.7811260 9 Bi 4.0479507 -0.3856594 0.6384768 -0.2072253 4.3967395 0.4093873 0.6307732 0.2174858 3.8942782 10 Bi 3.7927221 -0.0446541 0.0633207 0.3494481 3.9328105 0.6277942 -0.0995536 0.8297303 4.7811260 11 Bi 3.7927221 0.0446541 0.0633207 -0.3494481 3.9328105 -0.6277942 -0.0995536 -0.8297303 4.7811260 12 Bi 4.0479507 -0.3856594 0.6384768 -0.2072253 4.3967395 0.4093873 0.6307732 0.2174858 3.8942782 13 B 2.8293056 0.0823779 -0.4586193 0.1485158 2.8256550 -0.1537557 -0.4092859 -0.2576472 2.0751774 14 B 2.5263393 0.1719311 -0.2348659 0.0662726 2.4878684 -0.5945420 -0.2145568 -0.6238847 2.2764125 15 B 2.5858233 0.2194425 0.1234480 0.5061779 2.4216836 -0.3048042 0.0905262 0.0785398 2.1081975 16 B 2.5858233 -0.2194425 0.1234480 -0.5061779 2.4216836 0.3048042 0.0905262 -0.0785398 2.1081975 17 B 3.2834402 0.7151751 0.3727807 0.0444111 2.5911690 0.5923679 0.3145425 0.5446312 1.0249030 18 B 2.8293056 -0.0823779 -0.4586193 -0.1485158 2.8256550 0.1537557 -0.4092859 0.2576472 2.0751774 19 B 2.8293056 -0.0823779 -0.4586193 -0.1485158 2.8256550 0.1537557 -0.4092859 0.2576472 2.0751774 20 B 2.5263393 -0.1719311 -0.2348659 -0.0662726 2.4878684 0.5945420 -0.2145568 0.6238847 2.2764125 21 B 2.8293056 0.0823779 -0.4586193 0.1485158 2.8256550 -0.1537557 -0.4092859 -0.2576472 2.0751774 22 B 2.5263393 0.1719311 -0.2348659 0.0662726 2.4878684 -0.5945420 -0.2145568 -0.6238847 2.2764125 23 B 2.5263393 -0.1719311 -0.2348659 -0.0662726 2.4878684 0.5945420 -0.2145568 0.6238847 2.2764125 24 B 2.5858233 0.2194425 0.1234480 0.5061779 2.4216836 -0.3048042 0.0905262 0.0785398 2.1081975 25 B 3.2834402 -0.7151751 0.3727807 -0.0444111 2.5911690 -0.5923679 0.3145425 -0.5446312 1.0249030 26 B 3.2834402 0.7151751 0.3727807 0.0444111 2.5911690 0.5923679 0.3145425 0.5446312 1.0249030 27 B 3.2834402 -0.7151751 0.3727807 -0.0444111 2.5911690 -0.5923679 0.3145425 -0.5446312 1.0249030 28 B 2.5858233 -0.2194425 0.1234480 -0.5061779 2.4216836 0.3048042 0.0905262 -0.0785398 2.1081975 29 O -2.5322340 -0.1831350 -0.1530763 -0.3007006 -1.7575035 -0.1878357 0.1070973 -0.1961070 -2.5037867 30 O -3.1671671 0.2486866 0.1028292 0.1218288 -1.4830099 0.0856642 0.0711294 0.1319170 -1.7055373 31 O -2.0223931 0.0673668 -0.1856604 0.2038315 -2.2672996 0.0150480 -0.2585413 0.0610568 -2.1479076 32 O -2.1967863 -0.6800242 -0.1818931 -0.8284647 -2.0333607 0.0004760 -0.2920273 -0.0615700 -1.5158006 33 O -2.7287638 0.8023041 -0.2425468 0.3643187 -2.0369963 0.2643589 -0.3599626 0.3736118 -1.2091093 34 O -2.7287638 -0.8023041 -0.2425468 -0.3643187 -2.0369963 -0.2643589 -0.3599626 -0.3736118 -1.2091093 35 O -2.5322340 0.1831350 -0.1530763 0.3007006 -1.7575035 0.1878357 0.1070973 0.1961070 -2.5037867 36 O -2.1967863 0.6800242 -0.1818931 0.8284647 -2.0333607 -0.0004760 -0.2920273 0.0615700 -1.5158006 37 O -2.0223931 -0.0673668 -0.1856604 -0.2038315 -2.2672996 -0.0150480 -0.2585413 -0.0610568 -2.1479076 38 O -1.3138813 0.4790861 0.0641386 0.4939516 -2.6030999 0.5733899 0.1419558 0.0007134 -2.5666684 39 O -1.3138813 -0.4790861 0.0641386 -0.4939516 -2.6030999 -0.5733899 0.1419558 -0.0007134 -2.5666684 40 O -2.2393133 0.4031589 -0.2147654 0.6880518 -1.9679547 -0.2459112 0.0283169 -0.4263050 -2.1337308 41 O -3.1671671 -0.2486866 0.1028292 -0.1218288 -1.4830099 -0.0856642 0.0711294 -0.1319170 -1.7055373 42 O -2.0337957 0.5973027 0.1605884 0.6522519 -2.4462232 0.0637183 0.2174014 0.1013794 -1.7188656 43 O -2.7287638 -0.8023041 -0.2425468 -0.3643187 -2.0369963 -0.2643589 -0.3599626 -0.3736118 -1.2091093 44 O -2.2393133 -0.4031589 -0.2147654 -0.6880518 -1.9679547 0.2459112 0.0283169 0.4263050 -2.1337308 45 O -2.5322340 -0.1831350 -0.1530763 -0.3007006 -1.7575035 -0.1878357 0.1070973 -0.1961070 -2.5037867 46 O -2.0049269 -0.3418965 0.1535574 -0.0855502 -3.0995361 -0.1971370 0.0384457 0.0122178 -1.4979846 47 O -3.1671671 -0.2486866 0.1028292 -0.1218288 -1.4830099 -0.0856642 0.0711294 -0.1319170 -1.7055373 48 O -2.2393133 -0.4031589 -0.2147654 -0.6880518 -1.9679547 0.2459112 0.0283169 0.4263050 -2.1337308 49 O -2.0223931 -0.0673668 -0.1856604 -0.2038315 -2.2672996 -0.0150480 -0.2585413 -0.0610568 -2.1479076 50 O -1.9666146 0.0191110 0.0388512 0.0834853 -1.7259112 -0.4437235 -0.0135232 -0.4480330 -1.9430566 51 O -2.0223931 0.0673668 -0.1856604 0.2038315 -2.2672996 0.0150480 -0.2585413 0.0610568 -2.1479076 52 O -2.0049269 0.3418965 0.1535574 0.0855502 -3.0995361 0.1971370 0.0384457 -0.0122178 -1.4979846 53 O -1.3138813 0.4790861 0.0641386 0.4939516 -2.6030999 0.5733899 0.1419558 0.0007134 -2.5666684 54 O -3.1671671 0.2486866 0.1028292 0.1218288 -1.4830099 0.0856642 0.0711294 0.1319170 -1.7055373 55 O -1.3138813 -0.4790861 0.0641386 -0.4939516 -2.6030999 -0.5733899 0.1419558 -0.0007134 -2.5666684 56 O -2.1967863 0.6800242 -0.1818931 0.8284647 -2.0333607 -0.0004760 -0.2920273 0.0615700 -1.5158006 57 O -1.9666146 -0.0191110 0.0388512 -0.0834853 -1.7259112 0.4437235 -0.0135232 0.4480330 -1.9430566 58 O -2.2393133 0.4031589 -0.2147654 0.6880518 -1.9679547 -0.2459112 0.0283169 -0.4263050 -2.1337308 59 O -2.1967863 -0.6800242 -0.1818931 -0.8284647 -2.0333607 0.0004760 -0.2920273 -0.0615700 -1.5158006 60 O -2.0049269 -0.3418965 0.1535574 -0.0855502 -3.0995361 -0.1971370 0.0384457 0.0122178 -1.4979846 61 O -1.9666146 0.0191110 0.0388512 0.0834853 -1.7259112 -0.4437235 -0.0135232 -0.4480330 -1.9430566 62 O -2.7287638 0.8023041 -0.2425468 0.3643187 -2.0369963 0.2643589 -0.3599626 0.3736118 -1.2091093 63 O -2.0337957 -0.5973027 0.1605884 -0.6522519 -2.4462232 -0.0637183 0.2174014 -0.1013794 -1.7188656 64 O -2.5322340 0.1831350 -0.1530763 0.3007006 -1.7575035 0.1878357 0.1070973 0.1961070 -2.5037867 65 O -2.0337957 -0.5973027 0.1605884 -0.6522519 -2.4462232 -0.0637183 0.2174014 -0.1013794 -1.7188656 66 O -2.0337957 0.5973027 0.1605884 0.6522519 -2.4462232 0.0637183 0.2174014 0.1013794 -1.7188656 67 O -1.9666146 -0.0191110 0.0388512 -0.0834853 -1.7259112 0.4437235 -0.0135232 0.4480330 -1.9430566 68 O -2.0049269 0.3418965 0.1535574 0.0855502 -3.0995361 0.1971370 0.0384457 -0.0122178 -1.4979846 ---------------------------------------------------------------------------- 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 27, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 59, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 75, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 79, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 83, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 91, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 99, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:04:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:04:49]------------------------- 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 10.199748160046141 0.000000000000000 0.000000000000000 b 0.000000000000000 6.385073860000000 0.000000000000000 c -2.874794509425676 0.000000000000000 11.975258127198611 Atomic positions (fractional): 1 Ba 0.62759450298669 0.59438130010982 0.37493375853321 137.327 2 Ba 0.62759450298669 0.90561869989018 0.87493375853321 137.327 3 Ba 0.37240549701331 0.40561869989018 0.62506624146679 137.327 4 Ba 0.37240549701331 0.09438130010982 0.12506624146679 137.327 5 Bi 0.77308909853324 0.14604740682385 0.62755482430771 208.980 6 Bi 0.97975454582792 0.68114956441854 0.61441011088877 208.980 7 Bi 0.22691090146676 0.85395259317616 0.37244517569229 208.980 8 Bi 0.97975454582792 0.81885043558146 0.11441011088877 208.980 9 Bi 0.77308909853324 0.35395259317616 0.12755482430771 208.980 10 Bi 0.02024545417208 0.31885043558146 0.38558988911123 208.980 11 Bi 0.02024545417208 0.18114956441854 0.88558988911123 208.980 12 Bi 0.22691090146676 0.64604740682384 0.87244517569229 208.980 13 B 0.28138200487864 0.91251178737841 0.66846155970815 10.811 14 B 0.10932265471744 0.20090791914646 0.66676977069956 10.811 15 B 0.30212794664507 0.12634945754596 0.84088098872154 10.811 16 B 0.30212794664507 0.37365054245404 0.34088098872154 10.811 17 B 0.50546794692663 0.88912800083010 0.60285601959432 10.811 18 B 0.28138200487864 0.58748821262159 0.16846155970815 10.811 19 B 0.71861799512136 0.41251178737841 0.83153844029185 10.811 20 B 0.10932265471744 0.29909208085354 0.16676977069956 10.811 21 B 0.71861799512136 0.08748821262159 0.33153844029185 10.811 22 B 0.89067734528256 0.79909208085354 0.33323022930044 10.811 23 B 0.89067734528256 0.70090791914646 0.83323022930044 10.811 24 B 0.69787205335492 0.87365054245404 0.15911901127846 10.811 25 B 0.50546794692663 0.61087199916990 0.10285601959432 10.811 26 B 0.49453205307337 0.11087199916990 0.39714398040568 10.811 27 B 0.49453205307337 0.38912800083010 0.89714398040568 10.811 28 B 0.69787205335492 0.62634945754596 0.65911901127846 10.811 29 O 0.99679582177755 0.91264545509210 0.29344083809762 15.999 30 O 0.37171348128600 0.66610702113405 0.09569514571352 15.999 31 O 0.20888778258867 0.21524669426390 0.27278376783010 15.999 32 O 0.58878119105600 0.76695948403132 0.07579286863702 15.999 33 O 0.44532374350861 0.58056116902360 0.86177694258435 15.999 34 O 0.44532374350861 0.91943883097640 0.36177694258435 15.999 35 O 0.00320417822245 0.41264545509210 0.20655916190238 15.999 36 O 0.41121880894400 0.26695948403132 0.42420713136298 15.999 37 O 0.79111221741133 0.71524669426390 0.22721623216990 15.999 38 O 0.94328092314936 0.62805304379129 0.40987365371086 15.999 39 O 0.05671907685064 0.12805304379129 0.09012634628914 15.999 40 O 0.78916711152883 0.22327596951082 0.80289555836821 15.999 41 O 0.62828651871400 0.16610702113405 0.40430485428648 15.999 42 O 0.81502567192543 0.93634632712068 0.39419611814231 15.999 43 O 0.55467625649139 0.08056116902360 0.63822305741565 15.999 44 O 0.78916711152883 0.27672403048918 0.30289555836821 15.999 45 O 0.00320417822245 0.08735454490790 0.70655916190238 15.999 46 O 0.77261676903987 0.49564360128518 0.59460349736480 15.999 47 O 0.37171348128600 0.83389297886595 0.59569514571352 15.999 48 O 0.21083288847118 0.72327596951082 0.69710444163179 15.999 49 O 0.20888778258867 0.28475330573610 0.77278376783010 15.999 50 O 0.36626611177419 0.00520155747537 0.76839192560665 15.999 51 O 0.79111221741133 0.78475330573610 0.72721623216990 15.999 52 O 0.77261676903987 0.00435639871482 0.09460349736480 15.999 53 O 0.05671907685064 0.37194695620871 0.59012634628914 15.999 54 O 0.62828651871400 0.33389297886595 0.90430485428648 15.999 55 O 0.94328092314936 0.87194695620871 0.90987365371086 15.999 56 O 0.58878119105600 0.73304051596868 0.57579286863702 15.999 57 O 0.63373388822581 0.50520155747537 0.73160807439335 15.999 58 O 0.21083288847118 0.77672403048918 0.19710444163179 15.999 59 O 0.41121880894400 0.23304051596868 0.92420713136298 15.999 60 O 0.22738323096013 0.50435639871482 0.40539650263520 15.999 61 O 0.63373388822581 0.99479844252463 0.23160807439335 15.999 62 O 0.55467625649139 0.41943883097640 0.13822305741565 15.999 63 O 0.81502567192543 0.56365367287932 0.89419611814231 15.999 64 O 0.99679582177755 0.58735454490790 0.79344083809762 15.999 65 O 0.18497432807457 0.43634632712068 0.10580388185769 15.999 66 O 0.18497432807457 0.06365367287932 0.60580388185769 15.999 67 O 0.36626611177419 0.49479844252463 0.26839192560665 15.999 68 O 0.22738323096013 0.99564360128518 0.90539650263520 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.199748160046141 0.000000000000000 0.000000000000000 b 0.000000000000000 12.770147720000001 0.000000000000000 c -2.874794509425676 0.000000000000000 11.975258127198611 Atomic positions (fractional): 1 Ba 0.62759450298669 0.29719065005491 0.37493375853321 137.327 > 1 2 Ba 0.62759450298669 0.79719065005491 0.37493375853321 137.327 > 1 3 Ba 0.62759450298669 0.45280934994509 0.87493375853321 137.327 > 3 4 Ba 0.62759450298669 0.95280934994509 0.87493375853321 137.327 > 3 5 Ba 0.37240549701331 0.20280934994509 0.62506624146679 137.327 > 5 6 Ba 0.37240549701331 0.70280934994509 0.62506624146679 137.327 > 5 7 Ba 0.37240549701331 0.04719065005491 0.12506624146679 137.327 > 7 8 Ba 0.37240549701331 0.54719065005491 0.12506624146679 137.327 > 7 9 Bi 0.77308909853324 0.07302370341192 0.62755482430771 208.980 > 9 10 Bi 0.77308909853324 0.57302370341192 0.62755482430771 208.980 > 9 11 Bi 0.97975454582792 0.34057478220927 0.61441011088877 208.980 > 11 12 Bi 0.97975454582792 0.84057478220927 0.61441011088877 208.980 > 11 13 Bi 0.22691090146676 0.42697629658808 0.37244517569229 208.980 > 13 14 Bi 0.22691090146676 0.92697629658808 0.37244517569229 208.980 > 13 15 Bi 0.97975454582792 0.40942521779073 0.11441011088877 208.980 > 15 16 Bi 0.97975454582792 0.90942521779073 0.11441011088877 208.980 > 15 17 Bi 0.77308909853324 0.17697629658808 0.12755482430771 208.980 > 17 18 Bi 0.77308909853324 0.67697629658808 0.12755482430771 208.980 > 17 19 Bi 0.02024545417208 0.15942521779073 0.38558988911123 208.980 > 19 20 Bi 0.02024545417208 0.65942521779073 0.38558988911123 208.980 > 19 21 Bi 0.02024545417208 0.09057478220927 0.88558988911123 208.980 > 21 22 Bi 0.02024545417208 0.59057478220927 0.88558988911123 208.980 > 21 23 Bi 0.22691090146676 0.32302370341192 0.87244517569229 208.980 > 23 24 Bi 0.22691090146676 0.82302370341192 0.87244517569229 208.980 > 23 25 B 0.28138200487864 0.45625589368921 0.66846155970815 10.811 > 25 26 B 0.28138200487864 0.95625589368921 0.66846155970815 10.811 > 25 27 B 0.10932265471744 0.10045395957323 0.66676977069956 10.811 > 27 28 B 0.10932265471744 0.60045395957323 0.66676977069956 10.811 > 27 29 B 0.30212794664507 0.06317472877298 0.84088098872154 10.811 > 29 30 B 0.30212794664507 0.56317472877298 0.84088098872154 10.811 > 29 31 B 0.30212794664507 0.18682527122702 0.34088098872154 10.811 > 31 32 B 0.30212794664507 0.68682527122702 0.34088098872154 10.811 > 31 33 B 0.50546794692663 0.44456400041505 0.60285601959432 10.811 > 33 34 B 0.50546794692663 0.94456400041505 0.60285601959432 10.811 > 33 35 B 0.28138200487864 0.29374410631079 0.16846155970815 10.811 > 35 36 B 0.28138200487864 0.79374410631079 0.16846155970815 10.811 > 35 37 B 0.71861799512136 0.20625589368921 0.83153844029185 10.811 > 37 38 B 0.71861799512136 0.70625589368921 0.83153844029185 10.811 > 37 39 B 0.10932265471744 0.14954604042677 0.16676977069956 10.811 > 39 40 B 0.10932265471744 0.64954604042677 0.16676977069956 10.811 > 39 41 B 0.71861799512136 0.04374410631079 0.33153844029185 10.811 > 41 42 B 0.71861799512136 0.54374410631079 0.33153844029185 10.811 > 41 43 B 0.89067734528256 0.39954604042677 0.33323022930044 10.811 > 43 44 B 0.89067734528256 0.89954604042677 0.33323022930044 10.811 > 43 45 B 0.89067734528256 0.35045395957323 0.83323022930044 10.811 > 45 46 B 0.89067734528256 0.85045395957323 0.83323022930044 10.811 > 45 47 B 0.69787205335492 0.43682527122702 0.15911901127846 10.811 > 47 48 B 0.69787205335492 0.93682527122702 0.15911901127846 10.811 > 47 49 B 0.50546794692663 0.30543599958495 0.10285601959432 10.811 > 49 50 B 0.50546794692663 0.80543599958495 0.10285601959432 10.811 > 49 51 B 0.49453205307337 0.05543599958495 0.39714398040568 10.811 > 51 52 B 0.49453205307337 0.55543599958495 0.39714398040568 10.811 > 51 53 B 0.49453205307337 0.19456400041505 0.89714398040568 10.811 > 53 54 B 0.49453205307337 0.69456400041505 0.89714398040568 10.811 > 53 55 B 0.69787205335492 0.31317472877298 0.65911901127846 10.811 > 55 56 B 0.69787205335492 0.81317472877298 0.65911901127846 10.811 > 55 57 O 0.99679582177755 0.45632272754605 0.29344083809762 15.999 > 57 58 O 0.99679582177755 0.95632272754605 0.29344083809762 15.999 > 57 59 O 0.37171348128600 0.33305351056703 0.09569514571352 15.999 > 59 60 O 0.37171348128600 0.83305351056703 0.09569514571352 15.999 > 59 61 O 0.20888778258867 0.10762334713195 0.27278376783010 15.999 > 61 62 O 0.20888778258867 0.60762334713195 0.27278376783010 15.999 > 61 63 O 0.58878119105600 0.38347974201566 0.07579286863702 15.999 > 63 64 O 0.58878119105600 0.88347974201566 0.07579286863702 15.999 > 63 65 O 0.44532374350861 0.29028058451180 0.86177694258435 15.999 > 65 66 O 0.44532374350861 0.79028058451180 0.86177694258435 15.999 > 65 67 O 0.44532374350861 0.45971941548820 0.36177694258435 15.999 > 67 68 O 0.44532374350861 0.95971941548820 0.36177694258435 15.999 > 67 69 O 0.00320417822245 0.20632272754605 0.20655916190238 15.999 > 69 70 O 0.00320417822245 0.70632272754605 0.20655916190238 15.999 > 69 71 O 0.41121880894400 0.13347974201566 0.42420713136298 15.999 > 71 72 O 0.41121880894400 0.63347974201566 0.42420713136298 15.999 > 71 73 O 0.79111221741133 0.35762334713195 0.22721623216990 15.999 > 73 74 O 0.79111221741133 0.85762334713195 0.22721623216990 15.999 > 73 75 O 0.94328092314936 0.31402652189565 0.40987365371086 15.999 > 75 76 O 0.94328092314936 0.81402652189565 0.40987365371086 15.999 > 75 77 O 0.05671907685064 0.06402652189565 0.09012634628914 15.999 > 77 78 O 0.05671907685064 0.56402652189565 0.09012634628914 15.999 > 77 79 O 0.78916711152883 0.11163798475541 0.80289555836821 15.999 > 79 80 O 0.78916711152883 0.61163798475541 0.80289555836821 15.999 > 79 81 O 0.62828651871400 0.08305351056703 0.40430485428648 15.999 > 81 82 O 0.62828651871400 0.58305351056703 0.40430485428648 15.999 > 81 83 O 0.81502567192543 0.46817316356034 0.39419611814231 15.999 > 83 84 O 0.81502567192543 0.96817316356034 0.39419611814231 15.999 > 83 85 O 0.55467625649139 0.04028058451180 0.63822305741565 15.999 > 85 86 O 0.55467625649139 0.54028058451180 0.63822305741565 15.999 > 85 87 O 0.78916711152883 0.13836201524459 0.30289555836821 15.999 > 87 88 O 0.78916711152883 0.63836201524459 0.30289555836821 15.999 > 87 89 O 0.00320417822245 0.04367727245395 0.70655916190238 15.999 > 89 90 O 0.00320417822245 0.54367727245395 0.70655916190238 15.999 > 89 91 O 0.77261676903987 0.24782180064259 0.59460349736480 15.999 > 91 92 O 0.77261676903987 0.74782180064259 0.59460349736480 15.999 > 91 93 O 0.37171348128600 0.41694648943297 0.59569514571352 15.999 > 93 94 O 0.37171348128600 0.91694648943297 0.59569514571352 15.999 > 93 95 O 0.21083288847118 0.36163798475541 0.69710444163179 15.999 > 95 96 O 0.21083288847118 0.86163798475541 0.69710444163179 15.999 > 95 97 O 0.20888778258867 0.14237665286805 0.77278376783010 15.999 > 97 98 O 0.20888778258867 0.64237665286805 0.77278376783010 15.999 > 97 99 O 0.36626611177419 0.00260077873768 0.76839192560665 15.999 > 99 100 O 0.36626611177419 0.50260077873768 0.76839192560665 15.999 > 99 101 O 0.79111221741133 0.39237665286805 0.72721623216990 15.999 > 101 102 O 0.79111221741133 0.89237665286805 0.72721623216990 15.999 > 101 103 O 0.77261676903987 0.00217819935741 0.09460349736480 15.999 > 103 104 O 0.77261676903987 0.50217819935741 0.09460349736480 15.999 > 103 105 O 0.05671907685064 0.18597347810435 0.59012634628914 15.999 > 105 106 O 0.05671907685064 0.68597347810435 0.59012634628914 15.999 > 105 107 O 0.62828651871400 0.16694648943297 0.90430485428648 15.999 > 107 108 O 0.62828651871400 0.66694648943297 0.90430485428648 15.999 > 107 109 O 0.94328092314936 0.43597347810435 0.90987365371086 15.999 > 109 110 O 0.94328092314936 0.93597347810435 0.90987365371086 15.999 > 109 111 O 0.58878119105600 0.36652025798434 0.57579286863702 15.999 > 111 112 O 0.58878119105600 0.86652025798434 0.57579286863702 15.999 > 111 113 O 0.63373388822581 0.25260077873768 0.73160807439335 15.999 > 113 114 O 0.63373388822581 0.75260077873768 0.73160807439335 15.999 > 113 115 O 0.21083288847118 0.38836201524459 0.19710444163179 15.999 > 115 116 O 0.21083288847118 0.88836201524459 0.19710444163179 15.999 > 115 117 O 0.41121880894400 0.11652025798434 0.92420713136298 15.999 > 117 118 O 0.41121880894400 0.61652025798434 0.92420713136298 15.999 > 117 119 O 0.22738323096013 0.25217819935741 0.40539650263520 15.999 > 119 120 O 0.22738323096013 0.75217819935741 0.40539650263520 15.999 > 119 121 O 0.63373388822581 0.49739922126232 0.23160807439335 15.999 > 121 122 O 0.63373388822581 0.99739922126232 0.23160807439335 15.999 > 121 123 O 0.55467625649139 0.20971941548820 0.13822305741565 15.999 > 123 124 O 0.55467625649139 0.70971941548820 0.13822305741565 15.999 > 123 125 O 0.81502567192543 0.28182683643966 0.89419611814231 15.999 > 125 126 O 0.81502567192543 0.78182683643966 0.89419611814231 15.999 > 125 127 O 0.99679582177755 0.29367727245395 0.79344083809762 15.999 > 127 128 O 0.99679582177755 0.79367727245395 0.79344083809762 15.999 > 127 129 O 0.18497432807457 0.21817316356034 0.10580388185769 15.999 > 129 130 O 0.18497432807457 0.71817316356034 0.10580388185769 15.999 > 129 131 O 0.18497432807457 0.03182683643966 0.60580388185769 15.999 > 131 132 O 0.18497432807457 0.53182683643966 0.60580388185769 15.999 > 131 133 O 0.36626611177419 0.24739922126232 0.26839192560665 15.999 > 133 134 O 0.36626611177419 0.74739922126232 0.26839192560665 15.999 > 133 135 O 0.22738323096013 0.49782180064259 0.90539650263520 15.999 > 135 136 O 0.22738323096013 0.99782180064259 0.90539650263520 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2588483 0.0000000 0.0653644 0.0000000 4.2774792 0.0000000 0.0653658 0.0000000 4.1320733 -------------------------- Born effective charges -------------------------- 1 Ba 3.1402948 -0.0674679 -0.0465639 -0.0872862 2.7649690 -0.0722688 0.0072622 0.0569137 2.7823528 2 Ba 3.1402948 0.0674679 -0.0465639 0.0872862 2.7649690 0.0722688 0.0072622 -0.0569137 2.7823528 3 Ba 3.1402948 -0.0674679 -0.0465639 -0.0872862 2.7649690 -0.0722688 0.0072622 0.0569137 2.7823528 4 Ba 3.1402948 0.0674679 -0.0465639 0.0872862 2.7649690 0.0722688 0.0072622 -0.0569137 2.7823528 5 Bi 4.0479507 0.3856594 0.6384768 0.2072253 4.3967395 -0.4093873 0.6307732 -0.2174858 3.8942782 6 Bi 3.7927221 -0.0446541 0.0633207 0.3494481 3.9328105 0.6277942 -0.0995536 0.8297303 4.7811260 7 Bi 4.0479507 0.3856594 0.6384768 0.2072253 4.3967395 -0.4093873 0.6307732 -0.2174858 3.8942782 8 Bi 3.7927221 0.0446541 0.0633207 -0.3494481 3.9328105 -0.6277942 -0.0995536 -0.8297303 4.7811260 9 Bi 4.0479507 -0.3856594 0.6384768 -0.2072253 4.3967395 0.4093873 0.6307732 0.2174858 3.8942782 10 Bi 3.7927221 -0.0446541 0.0633207 0.3494481 3.9328105 0.6277942 -0.0995536 0.8297303 4.7811260 11 Bi 3.7927221 0.0446541 0.0633207 -0.3494481 3.9328105 -0.6277942 -0.0995536 -0.8297303 4.7811260 12 Bi 4.0479507 -0.3856594 0.6384768 -0.2072253 4.3967395 0.4093873 0.6307732 0.2174858 3.8942782 13 B 2.8293056 0.0823779 -0.4586193 0.1485158 2.8256550 -0.1537557 -0.4092859 -0.2576472 2.0751774 14 B 2.5263393 0.1719311 -0.2348659 0.0662726 2.4878684 -0.5945420 -0.2145568 -0.6238847 2.2764125 15 B 2.5858233 0.2194425 0.1234480 0.5061779 2.4216836 -0.3048042 0.0905262 0.0785398 2.1081975 16 B 2.5858233 -0.2194425 0.1234480 -0.5061779 2.4216836 0.3048042 0.0905262 -0.0785398 2.1081975 17 B 3.2834402 0.7151751 0.3727807 0.0444111 2.5911690 0.5923679 0.3145425 0.5446312 1.0249030 18 B 2.8293056 -0.0823779 -0.4586193 -0.1485158 2.8256550 0.1537557 -0.4092859 0.2576472 2.0751774 19 B 2.8293056 -0.0823779 -0.4586193 -0.1485158 2.8256550 0.1537557 -0.4092859 0.2576472 2.0751774 20 B 2.5263393 -0.1719311 -0.2348659 -0.0662726 2.4878684 0.5945420 -0.2145568 0.6238847 2.2764125 21 B 2.8293056 0.0823779 -0.4586193 0.1485158 2.8256550 -0.1537557 -0.4092859 -0.2576472 2.0751774 22 B 2.5263393 0.1719311 -0.2348659 0.0662726 2.4878684 -0.5945420 -0.2145568 -0.6238847 2.2764125 23 B 2.5263393 -0.1719311 -0.2348659 -0.0662726 2.4878684 0.5945420 -0.2145568 0.6238847 2.2764125 24 B 2.5858233 0.2194425 0.1234480 0.5061779 2.4216836 -0.3048042 0.0905262 0.0785398 2.1081975 25 B 3.2834402 -0.7151751 0.3727807 -0.0444111 2.5911690 -0.5923679 0.3145425 -0.5446312 1.0249030 26 B 3.2834402 0.7151751 0.3727807 0.0444111 2.5911690 0.5923679 0.3145425 0.5446312 1.0249030 27 B 3.2834402 -0.7151751 0.3727807 -0.0444111 2.5911690 -0.5923679 0.3145425 -0.5446312 1.0249030 28 B 2.5858233 -0.2194425 0.1234480 -0.5061779 2.4216836 0.3048042 0.0905262 -0.0785398 2.1081975 29 O -2.5322340 -0.1831350 -0.1530763 -0.3007006 -1.7575035 -0.1878357 0.1070973 -0.1961070 -2.5037867 30 O -3.1671671 0.2486866 0.1028292 0.1218288 -1.4830099 0.0856642 0.0711294 0.1319170 -1.7055373 31 O -2.0223931 0.0673668 -0.1856604 0.2038315 -2.2672996 0.0150480 -0.2585413 0.0610568 -2.1479076 32 O -2.1967863 -0.6800242 -0.1818931 -0.8284647 -2.0333607 0.0004760 -0.2920273 -0.0615700 -1.5158006 33 O -2.7287638 0.8023041 -0.2425468 0.3643187 -2.0369963 0.2643589 -0.3599626 0.3736118 -1.2091093 34 O -2.7287638 -0.8023041 -0.2425468 -0.3643187 -2.0369963 -0.2643589 -0.3599626 -0.3736118 -1.2091093 35 O -2.5322340 0.1831350 -0.1530763 0.3007006 -1.7575035 0.1878357 0.1070973 0.1961070 -2.5037867 36 O -2.1967863 0.6800242 -0.1818931 0.8284647 -2.0333607 -0.0004760 -0.2920273 0.0615700 -1.5158006 37 O -2.0223931 -0.0673668 -0.1856604 -0.2038315 -2.2672996 -0.0150480 -0.2585413 -0.0610568 -2.1479076 38 O -1.3138813 0.4790861 0.0641386 0.4939516 -2.6030999 0.5733899 0.1419558 0.0007134 -2.5666684 39 O -1.3138813 -0.4790861 0.0641386 -0.4939516 -2.6030999 -0.5733899 0.1419558 -0.0007134 -2.5666684 40 O -2.2393133 0.4031589 -0.2147654 0.6880518 -1.9679547 -0.2459112 0.0283169 -0.4263050 -2.1337308 41 O -3.1671671 -0.2486866 0.1028292 -0.1218288 -1.4830099 -0.0856642 0.0711294 -0.1319170 -1.7055373 42 O -2.0337957 0.5973027 0.1605884 0.6522519 -2.4462232 0.0637183 0.2174014 0.1013794 -1.7188656 43 O -2.7287638 -0.8023041 -0.2425468 -0.3643187 -2.0369963 -0.2643589 -0.3599626 -0.3736118 -1.2091093 44 O -2.2393133 -0.4031589 -0.2147654 -0.6880518 -1.9679547 0.2459112 0.0283169 0.4263050 -2.1337308 45 O -2.5322340 -0.1831350 -0.1530763 -0.3007006 -1.7575035 -0.1878357 0.1070973 -0.1961070 -2.5037867 46 O -2.0049269 -0.3418965 0.1535574 -0.0855502 -3.0995361 -0.1971370 0.0384457 0.0122178 -1.4979846 47 O -3.1671671 -0.2486866 0.1028292 -0.1218288 -1.4830099 -0.0856642 0.0711294 -0.1319170 -1.7055373 48 O -2.2393133 -0.4031589 -0.2147654 -0.6880518 -1.9679547 0.2459112 0.0283169 0.4263050 -2.1337308 49 O -2.0223931 -0.0673668 -0.1856604 -0.2038315 -2.2672996 -0.0150480 -0.2585413 -0.0610568 -2.1479076 50 O -1.9666146 0.0191110 0.0388512 0.0834853 -1.7259112 -0.4437235 -0.0135232 -0.4480330 -1.9430566 51 O -2.0223931 0.0673668 -0.1856604 0.2038315 -2.2672996 0.0150480 -0.2585413 0.0610568 -2.1479076 52 O -2.0049269 0.3418965 0.1535574 0.0855502 -3.0995361 0.1971370 0.0384457 -0.0122178 -1.4979846 53 O -1.3138813 0.4790861 0.0641386 0.4939516 -2.6030999 0.5733899 0.1419558 0.0007134 -2.5666684 54 O -3.1671671 0.2486866 0.1028292 0.1218288 -1.4830099 0.0856642 0.0711294 0.1319170 -1.7055373 55 O -1.3138813 -0.4790861 0.0641386 -0.4939516 -2.6030999 -0.5733899 0.1419558 -0.0007134 -2.5666684 56 O -2.1967863 0.6800242 -0.1818931 0.8284647 -2.0333607 -0.0004760 -0.2920273 0.0615700 -1.5158006 57 O -1.9666146 -0.0191110 0.0388512 -0.0834853 -1.7259112 0.4437235 -0.0135232 0.4480330 -1.9430566 58 O -2.2393133 0.4031589 -0.2147654 0.6880518 -1.9679547 -0.2459112 0.0283169 -0.4263050 -2.1337308 59 O -2.1967863 -0.6800242 -0.1818931 -0.8284647 -2.0333607 0.0004760 -0.2920273 -0.0615700 -1.5158006 60 O -2.0049269 -0.3418965 0.1535574 -0.0855502 -3.0995361 -0.1971370 0.0384457 0.0122178 -1.4979846 61 O -1.9666146 0.0191110 0.0388512 0.0834853 -1.7259112 -0.4437235 -0.0135232 -0.4480330 -1.9430566 62 O -2.7287638 0.8023041 -0.2425468 0.3643187 -2.0369963 0.2643589 -0.3599626 0.3736118 -1.2091093 63 O -2.0337957 -0.5973027 0.1605884 -0.6522519 -2.4462232 -0.0637183 0.2174014 -0.1013794 -1.7188656 64 O -2.5322340 0.1831350 -0.1530763 0.3007006 -1.7575035 0.1878357 0.1070973 0.1961070 -2.5037867 65 O -2.0337957 -0.5973027 0.1605884 -0.6522519 -2.4462232 -0.0637183 0.2174014 -0.1013794 -1.7188656 66 O -2.0337957 0.5973027 0.1605884 0.6522519 -2.4462232 0.0637183 0.2174014 0.1013794 -1.7188656 67 O -1.9666146 -0.0191110 0.0388512 -0.0834853 -1.7259112 0.4437235 -0.0135232 0.4480330 -1.9430566 68 O -2.0049269 0.3418965 0.1535574 0.0855502 -3.0995361 0.1971370 0.0384457 -0.0122178 -1.4979846 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 5 8 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: 0.45, Number of G-points: 297, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/55) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.211 ( 0.000 0.000 0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.786 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.301 ( 0.000 0.000 0.000) 0.000 7.853 ( 0.000 0.000 0.000) 0.000 7.960 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.332 ( 0.000 0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.544 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 9.022 ( 0.000 0.000 0.000) 0.000 9.414 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.754 ( 0.000 0.000 0.000) 0.000 10.024 ( 0.000 0.000 0.000) 0.000 10.168 ( 0.000 0.000 0.000) 0.000 10.406 ( 0.000 0.000 0.000) 0.000 10.436 ( 0.000 0.000 0.000) 0.000 10.527 ( 0.000 0.000 0.000) 0.000 10.581 ( 0.000 0.000 0.000) 0.000 10.581 ( 0.000 0.000 0.000) 0.000 10.664 ( 0.000 0.000 0.000) 0.000 10.888 ( 0.000 0.000 0.000) 0.000 11.084 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 11.287 ( 0.000 0.000 0.000) 0.000 11.454 ( 0.000 0.000 0.000) 0.000 11.639 ( 0.000 0.000 0.000) 0.000 11.649 ( 0.000 0.000 0.000) 0.000 11.669 ( 0.000 0.000 0.000) 0.000 12.342 ( 0.000 0.000 0.000) 0.000 12.381 ( 0.000 0.000 0.000) 0.000 13.138 ( 0.000 0.000 0.000) 0.000 13.162 ( 0.000 0.000 0.000) 0.000 13.421 ( 0.000 0.000 0.000) 0.000 13.497 ( 0.000 0.000 0.000) 0.000 13.644 ( 0.000 0.000 0.000) 0.000 13.928 ( 0.000 0.000 0.000) 0.000 14.006 ( 0.000 0.000 0.000) 0.000 14.326 ( 0.000 0.000 0.000) 0.000 14.635 ( 0.000 0.000 0.000) 0.000 14.724 ( 0.000 0.000 0.000) 0.000 14.725 ( 0.000 0.000 0.000) 0.000 14.993 ( 0.000 0.000 0.000) 0.000 15.262 ( 0.000 0.000 0.000) 0.000 15.410 ( 0.000 0.000 0.000) 0.000 15.548 ( 0.000 0.000 0.000) 0.000 15.710 ( 0.000 0.000 0.000) 0.000 16.324 ( 0.000 0.000 0.000) 0.000 16.595 ( 0.000 0.000 0.000) 0.000 16.923 ( 0.000 0.000 0.000) 0.000 16.977 ( 0.000 0.000 0.000) 0.000 16.986 ( 0.000 0.000 0.000) 0.000 17.036 ( 0.000 0.000 0.000) 0.000 17.131 ( 0.000 0.000 0.000) 0.000 17.250 ( 0.000 0.000 0.000) 0.000 17.571 ( 0.000 0.000 0.000) 0.000 17.617 ( 0.000 0.000 0.000) 0.000 17.698 ( 0.000 0.000 0.000) 0.000 17.743 ( 0.000 0.000 0.000) 0.000 17.878 ( 0.000 0.000 0.000) 0.000 17.887 ( 0.000 0.000 0.000) 0.000 17.895 ( 0.000 0.000 0.000) 0.000 18.039 ( 0.000 0.000 0.000) 0.000 18.236 ( 0.000 0.000 0.000) 0.000 18.327 ( 0.000 0.000 0.000) 0.000 18.646 ( 0.000 0.000 0.000) 0.000 18.733 ( 0.000 0.000 0.000) 0.000 19.149 ( 0.000 0.000 0.000) 0.000 19.220 ( 0.000 0.000 0.000) 0.000 19.350 ( 0.000 0.000 0.000) 0.000 19.437 ( 0.000 0.000 0.000) 0.000 19.635 ( 0.000 0.000 0.000) 0.000 19.732 ( 0.000 0.000 0.000) 0.000 19.881 ( 0.000 0.000 0.000) 0.000 19.888 ( 0.000 0.000 0.000) 0.000 20.237 ( 0.000 0.000 0.000) 0.000 20.790 ( 0.000 0.000 0.000) 0.000 20.806 ( 0.000 0.000 0.000) 0.000 20.917 ( 0.000 0.000 0.000) 0.000 21.222 ( 0.000 0.000 0.000) 0.000 21.362 ( 0.000 0.000 0.000) 0.000 21.683 ( 0.000 0.000 0.000) 0.000 21.800 ( 0.000 0.000 0.000) 0.000 22.738 ( 0.000 0.000 0.000) 0.000 22.741 ( 0.000 0.000 0.000) 0.000 22.807 ( 0.000 0.000 0.000) 0.000 22.831 ( 0.000 0.000 0.000) 0.000 23.051 ( 0.000 0.000 0.000) 0.000 23.294 ( 0.000 0.000 0.000) 0.000 23.295 ( 0.000 0.000 0.000) 0.000 23.314 ( 0.000 0.000 0.000) 0.000 23.847 ( 0.000 0.000 0.000) 0.000 24.067 ( 0.000 0.000 0.000) 0.000 24.350 ( 0.000 0.000 0.000) 0.000 24.696 ( 0.000 0.000 0.000) 0.000 25.082 ( 0.000 0.000 0.000) 0.000 25.191 ( 0.000 0.000 0.000) 0.000 25.192 ( 0.000 0.000 0.000) 0.000 25.551 ( 0.000 0.000 0.000) 0.000 26.318 ( 0.000 0.000 0.000) 0.000 26.334 ( 0.000 0.000 0.000) 0.000 26.610 ( 0.000 0.000 0.000) 0.000 26.741 ( 0.000 0.000 0.000) 0.000 27.233 ( 0.000 0.000 0.000) 0.000 27.334 ( 0.000 0.000 0.000) 0.000 27.620 ( 0.000 0.000 0.000) 0.000 27.659 ( 0.000 0.000 0.000) 0.000 27.855 ( 0.000 0.000 0.000) 0.000 27.975 ( 0.000 0.000 0.000) 0.000 28.005 ( 0.000 0.000 0.000) 0.000 28.184 ( 0.000 0.000 0.000) 0.000 28.353 ( 0.000 0.000 0.000) 0.000 28.410 ( 0.000 0.000 0.000) 0.000 28.526 ( 0.000 0.000 0.000) 0.000 29.025 ( 0.000 0.000 0.000) 0.000 29.199 ( 0.000 0.000 0.000) 0.000 29.355 ( 0.000 0.000 0.000) 0.000 29.992 ( 0.000 0.000 0.000) 0.000 30.264 ( 0.000 0.000 0.000) 0.000 30.505 ( 0.000 0.000 0.000) 0.000 30.545 ( 0.000 0.000 0.000) 0.000 30.633 ( 0.000 0.000 0.000) 0.000 30.780 ( 0.000 0.000 0.000) 0.000 31.127 ( 0.000 0.000 0.000) 0.000 31.160 ( 0.000 0.000 0.000) 0.000 31.607 ( 0.000 0.000 0.000) 0.000 31.835 ( 0.000 0.000 0.000) 0.000 32.094 ( 0.000 0.000 0.000) 0.000 32.189 ( 0.000 0.000 0.000) 0.000 32.410 ( 0.000 0.000 0.000) 0.000 32.489 ( 0.000 0.000 0.000) 0.000 36.892 ( 0.000 0.000 0.000) 0.000 36.941 ( 0.000 0.000 0.000) 0.000 37.329 ( 0.000 0.000 0.000) 0.000 37.418 ( 0.000 0.000 0.000) 0.000 39.319 ( 0.000 0.000 0.000) 0.000 39.615 ( 0.000 0.000 0.000) 0.000 40.100 ( 0.000 0.000 0.000) 0.000 40.328 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/55) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 25.844 0.000 -9.208) 27.436 0.537 ( 26.936 0.000 3.447) 27.156 1.147 ( 50.197 0.000 6.492) 50.615 1.362 ( 13.536 0.000 -1.681) 13.640 1.584 ( 0.770 0.000 -4.862) 4.922 1.792 ( 7.540 0.000 5.154) 9.133 1.861 ( -1.105 0.000 -8.820) 8.889 1.903 ( -2.161 0.000 0.897) 2.340 1.904 ( 0.088 0.000 6.798) 6.799 2.021 ( -5.934 0.000 -1.025) 6.022 2.148 ( -1.529 0.000 3.013) 3.379 2.340 ( 4.187 0.000 1.124) 4.335 2.376 ( -4.788 0.000 -0.994) 4.891 2.466 ( -4.996 0.000 -1.559) 5.234 2.539 ( -13.067 0.000 3.925) 13.644 2.623 ( -3.411 0.000 -2.461) 4.206 2.675 ( 2.596 0.000 -0.671) 2.682 2.708 ( -0.541 0.000 -0.628) 0.829 2.749 ( -2.516 0.000 -0.195) 2.524 2.861 ( 2.023 0.000 0.733) 2.151 2.950 ( 2.493 0.000 0.981) 2.679 2.980 ( -2.385 0.000 -0.483) 2.433 3.013 ( 4.292 0.000 -0.031) 4.292 3.050 ( 2.676 0.000 1.553) 3.094 3.071 ( -2.104 0.000 -0.050) 2.105 3.072 ( -1.313 0.000 0.923) 1.604 3.246 ( -6.068 0.000 -3.987) 7.261 3.260 ( 5.594 0.000 -0.801) 5.651 3.393 ( -5.532 0.000 -2.457) 6.053 3.514 ( -1.295 0.000 -5.861) 6.002 3.534 ( 8.352 0.000 2.319) 8.668 3.718 ( 1.317 0.000 0.020) 1.317 3.928 ( 4.080 0.000 1.849) 4.480 3.997 ( 1.181 0.000 0.046) 1.182 3.999 ( -3.509 0.000 -1.768) 3.930 4.082 ( -0.155 0.000 1.921) 1.928 4.092 ( -0.066 0.000 -2.204) 2.205 4.136 ( 0.835 0.000 0.030) 0.835 4.385 ( -3.610 0.000 1.856) 4.059 4.441 ( -2.365 0.000 -4.005) 4.651 4.478 ( -7.109 0.000 15.222) 16.800 4.649 ( -6.556 0.000 9.288) 11.369 4.838 ( 2.198 0.000 -3.085) 3.788 4.887 ( -5.169 0.000 -0.126) 5.170 4.955 ( -1.147 0.000 4.597) 4.737 5.020 ( -9.873 0.000 8.925) 13.309 5.237 ( 2.876 0.000 -3.346) 4.412 5.400 ( 6.879 0.000 -3.941) 7.928 5.550 ( 0.556 0.000 -4.345) 4.381 5.679 ( 4.618 0.000 -4.388) 6.370 5.763 ( -1.456 0.000 4.695) 4.916 5.968 ( 3.666 0.000 5.456) 6.574 5.997 ( 2.112 0.000 0.455) 2.160 6.232 ( -6.192 0.000 0.058) 6.192 6.382 ( 1.550 0.000 -6.013) 6.210 6.401 ( 7.655 0.000 4.571) 8.916 6.703 ( -3.760 0.000 -2.950) 4.779 6.953 ( -20.067 0.000 4.570) 20.581 7.198 ( -1.625 0.000 1.366) 2.123 7.240 ( 2.996 0.000 -6.081) 6.779 7.320 ( 2.794 0.000 -0.907) 2.937 7.503 ( -1.841 0.000 10.360) 10.522 7.769 ( -6.683 0.000 -0.540) 6.704 7.915 ( -3.026 0.000 -1.182) 3.249 7.956 ( -0.832 0.000 3.626) 3.720 8.113 ( -0.714 0.000 2.032) 2.154 8.247 ( 2.227 0.000 -4.494) 5.016 8.268 ( -5.128 0.000 -2.395) 5.660 8.313 ( 3.035 0.000 3.248) 4.445 8.498 ( 0.289 0.000 7.964) 7.970 8.537 ( 11.237 0.000 2.876) 11.599 8.799 ( 11.725 0.000 2.657) 12.022 8.928 ( -3.436 0.000 1.139) 3.619 8.959 ( 5.019 0.000 -8.659) 10.009 9.207 ( 0.250 0.000 -10.774) 10.777 9.449 ( 2.420 0.000 -0.666) 2.510 9.634 ( -7.764 0.000 -1.711) 7.950 9.708 ( -6.278 0.000 1.676) 6.498 10.051 ( 2.571 0.000 -1.052) 2.778 10.215 ( -3.620 0.000 -3.084) 4.756 10.275 ( 6.973 0.000 1.082) 7.056 10.440 ( 0.634 0.000 -1.709) 1.823 10.525 ( -1.377 0.000 4.516) 4.721 10.650 ( -1.454 0.000 1.535) 2.114 10.743 ( 7.021 0.000 -1.516) 7.183 10.829 ( 11.854 0.000 1.621) 11.964 10.839 ( -3.564 0.000 -1.829) 4.006 11.033 ( -3.884 0.000 0.934) 3.995 11.115 ( -11.741 0.000 0.038) 11.741 11.313 ( 2.453 0.000 -1.973) 3.148 11.423 ( -2.094 0.000 1.117) 2.373 11.612 ( -0.149 0.000 1.772) 1.778 11.683 ( 3.671 0.000 -1.799) 4.088 11.757 ( 3.481 0.000 -0.454) 3.510 12.234 ( -12.643 0.000 -0.201) 12.644 12.252 ( -10.908 0.000 -0.970) 10.951 13.151 ( -1.882 0.000 2.998) 3.540 13.269 ( 10.552 0.000 -1.363) 10.640 13.540 ( 5.261 0.000 7.155) 8.881 13.560 ( 10.471 0.000 -6.568) 12.361 13.659 ( -0.773 0.000 0.371) 0.858 13.840 ( -2.842 0.000 -3.344) 4.389 14.287 ( -4.217 0.000 -5.157) 6.661 14.343 ( 6.359 0.000 6.249) 8.915 14.554 ( -6.858 0.000 0.502) 6.876 14.628 ( -8.002 0.000 -0.195) 8.005 14.690 ( -2.576 0.000 0.663) 2.660 15.029 ( -5.037 0.000 1.335) 5.211 15.278 ( 3.689 0.000 -1.513) 3.987 15.461 ( 2.915 0.000 1.305) 3.194 15.619 ( -0.568 0.000 -2.654) 2.714 15.780 ( 2.313 0.000 -0.096) 2.315 16.345 ( 2.351 0.000 -0.475) 2.399 16.594 ( 0.035 0.000 1.146) 1.147 16.888 ( -7.793 0.000 -0.610) 7.817 16.925 ( -3.462 0.000 -0.208) 3.468 17.054 ( 2.671 0.000 0.460) 2.710 17.081 ( 7.168 0.000 -2.439) 7.572 17.173 ( 6.464 0.000 1.157) 6.567 17.246 ( 0.152 0.000 -0.373) 0.403 17.622 ( 3.616 0.000 1.640) 3.971 17.629 ( 0.737 0.000 0.449) 0.863 17.703 ( -2.850 0.000 -0.902) 2.989 17.716 ( 0.997 0.000 -0.366) 1.062 17.815 ( -7.753 0.000 -0.305) 7.759 17.843 ( -0.070 0.000 1.117) 1.119 18.007 ( 5.517 0.000 -1.502) 5.718 18.116 ( -2.749 0.000 1.870) 3.325 18.284 ( -3.812 0.000 0.275) 3.822 18.332 ( 6.720 0.000 -0.890) 6.779 18.674 ( 2.431 0.000 -0.247) 2.444 18.754 ( 0.943 0.000 2.862) 3.013 19.095 ( -4.773 0.000 0.709) 4.825 19.099 ( -8.348 0.000 -2.167) 8.624 19.336 ( -2.056 0.000 -1.703) 2.670 19.485 ( 2.688 0.000 1.948) 3.320 19.698 ( 4.751 0.000 0.289) 4.760 19.796 ( 5.297 0.000 -0.908) 5.374 19.866 ( -1.619 0.000 -1.187) 2.007 20.030 ( -1.873 0.000 5.429) 5.743 20.253 ( 1.272 0.000 0.594) 1.404 20.804 ( 1.810 0.000 -1.380) 2.276 20.839 ( 2.248 0.000 2.899) 3.669 20.902 ( -1.017 0.000 -1.748) 2.023 21.258 ( 0.099 0.000 -2.328) 2.330 21.348 ( -1.586 0.000 0.001) 1.586 21.686 ( 0.564 0.000 -0.813) 0.989 21.820 ( 1.748 0.000 -0.170) 1.757 22.716 ( -1.059 0.000 -1.025) 1.474 22.838 ( 0.904 0.000 -0.972) 1.327 22.854 ( 3.035 0.000 1.255) 3.284 22.908 ( -3.909 0.000 13.923) 14.461 23.115 ( 2.396 0.000 -9.884) 10.170 23.245 ( -1.696 0.000 0.674) 1.825 23.308 ( -0.223 0.000 -1.133) 1.155 23.382 ( 4.882 0.000 1.077) 5.000 23.874 ( 2.673 0.000 2.241) 3.488 24.095 ( 3.136 0.000 -1.523) 3.486 24.573 ( -10.703 0.000 -4.499) 11.610 24.619 ( -10.461 0.000 24.419) 26.566 25.085 ( 0.516 0.000 -0.246) 0.571 25.225 ( 2.723 0.000 1.432) 3.077 25.227 ( -0.262 0.000 -3.292) 3.303 25.489 ( -4.409 0.000 -1.920) 4.809 26.323 ( -0.649 0.000 -1.025) 1.213 26.353 ( 2.269 0.000 0.589) 2.344 26.778 ( 2.922 0.000 -0.067) 2.923 27.227 ( -0.103 0.000 -0.548) 0.557 27.359 ( 4.441 0.000 9.743) 10.707 27.375 ( 4.139 0.000 -0.077) 4.139 27.677 ( 1.508 0.000 0.003) 1.508 27.845 ( -1.610 0.000 1.037) 1.915 27.912 ( -3.575 0.000 -0.057) 3.575 28.019 ( -0.131 0.000 -1.148) 1.156 28.040 ( 1.508 0.000 -21.247) 21.301 28.384 ( 2.645 0.000 -1.161) 2.888 28.447 ( 3.661 0.000 0.826) 3.752 28.620 ( 8.055 0.000 1.235) 8.149 28.938 ( -4.031 0.000 -23.698) 24.039 29.016 ( -0.576 0.000 -3.878) 3.921 29.234 ( 2.916 0.000 4.579) 5.428 29.406 ( 4.744 0.000 -5.261) 7.085 30.132 ( -0.649 0.000 11.789) 11.806 30.299 ( -2.768 0.000 -6.255) 6.840 30.381 ( -13.802 0.000 1.278) 13.861 30.532 ( 2.494 0.000 -0.308) 2.513 30.615 ( -0.646 0.000 -4.499) 4.545 30.830 ( 3.982 0.000 -1.634) 4.305 31.150 ( 1.448 0.000 1.981) 2.454 31.220 ( 4.746 0.000 0.394) 4.762 31.641 ( 2.831 0.000 0.600) 2.894 31.758 ( -7.064 0.000 -1.638) 7.252 32.187 ( -0.807 0.000 3.822) 3.906 32.414 ( 0.254 0.000 -0.118) 0.280 32.504 ( 1.167 0.000 1.425) 1.842 32.725 ( 2.950 0.000 -20.589) 20.799 36.893 ( 0.119 0.000 -0.031) 0.122 36.941 ( -0.021 0.000 0.132) 0.134 37.376 ( 4.369 0.000 -1.110) 4.507 37.809 ( 4.244 0.000 -16.805) 17.333 39.318 ( -0.044 0.000 0.017) 0.048 39.604 ( -0.970 0.000 -0.015) 0.970 40.090 ( -0.341 0.000 -2.521) 2.544 41.049 ( -2.946 0.000 11.663) 12.030 ======================= Grid point 2 (3/55) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 26.352 0.000 -1.814) 26.415 1.064 ( 24.517 0.000 1.907) 24.591 1.397 ( -12.429 0.000 1.013) 12.470 1.440 ( -11.587 0.000 0.913) 11.623 1.690 ( -11.447 0.000 -4.769) 12.400 1.803 ( 13.098 0.000 -5.750) 14.304 1.887 ( 2.724 0.000 1.911) 3.327 1.939 ( 1.246 0.000 2.990) 3.239 2.049 ( 8.028 0.000 1.775) 8.222 2.082 ( 6.858 0.000 0.249) 6.863 2.147 ( 0.962 0.000 2.476) 2.657 2.277 ( -9.862 0.000 2.991) 10.305 2.305 ( -3.779 0.000 -0.162) 3.782 2.385 ( 9.922 0.000 1.257) 10.001 2.524 ( 6.562 0.000 0.956) 6.631 2.536 ( -2.539 0.000 -0.907) 2.696 2.647 ( -3.785 0.000 -2.176) 4.366 2.693 ( -4.216 0.000 -4.154) 5.919 2.766 ( 4.047 0.000 3.204) 5.161 2.847 ( -2.773 0.000 -1.608) 3.205 2.937 ( -1.232 0.000 -0.737) 1.436 2.988 ( -2.242 0.000 -0.752) 2.364 3.013 ( 2.318 0.000 -2.388) 3.328 3.054 ( -0.008 0.000 0.577) 0.577 3.058 ( -0.118 0.000 0.273) 0.297 3.116 ( 1.892 0.000 1.141) 2.209 3.174 ( 0.758 0.000 1.561) 1.735 3.220 ( -11.119 0.000 0.961) 11.161 3.391 ( 5.515 0.000 0.133) 5.517 3.478 ( -0.444 0.000 -2.257) 2.300 3.664 ( 1.591 0.000 1.120) 1.946 3.780 ( 5.308 0.000 1.661) 5.562 3.922 ( -2.427 0.000 -1.205) 2.710 4.008 ( -5.309 0.000 -5.062) 7.335 4.011 ( 0.457 0.000 1.002) 1.101 4.013 ( 3.504 0.000 -1.363) 3.760 4.069 ( -2.539 0.000 2.635) 3.659 4.170 ( 2.203 0.000 -0.370) 2.234 4.249 ( -4.845 0.000 0.825) 4.914 4.460 ( 1.053 0.000 5.514) 5.614 4.531 ( 6.260 0.000 -0.827) 6.315 4.599 ( -1.167 0.000 -0.341) 1.216 4.763 ( -7.866 0.000 0.884) 7.916 4.790 ( -5.220 0.000 -0.228) 5.225 4.837 ( -4.091 0.000 -3.213) 5.202 4.955 ( -0.705 0.000 3.748) 3.814 5.331 ( 3.276 0.000 3.067) 4.487 5.460 ( 1.479 0.000 -1.941) 2.441 5.540 ( 0.236 0.000 -2.820) 2.830 5.791 ( 6.044 0.000 -2.867) 6.690 5.813 ( 3.747 0.000 6.749) 7.719 5.963 ( -5.715 0.000 -1.642) 5.946 6.032 ( 0.907 0.000 0.276) 0.948 6.185 ( 1.555 0.000 1.949) 2.494 6.342 ( -2.261 0.000 -4.272) 4.834 6.542 ( 3.305 0.000 2.622) 4.219 6.625 ( -11.247 0.000 2.001) 11.424 6.639 ( -1.221 0.000 -1.404) 1.861 7.130 ( -3.461 0.000 0.137) 3.464 7.275 ( 1.599 0.000 -0.802) 1.789 7.407 ( 4.988 0.000 -0.844) 5.059 7.483 ( -1.741 0.000 1.800) 2.504 7.638 ( -5.456 0.000 0.093) 5.457 7.942 ( 3.741 0.000 -0.381) 3.760 7.944 ( -1.250 0.000 1.295) 1.800 8.171 ( 3.080 0.000 0.220) 3.088 8.206 ( -0.850 0.000 -1.102) 1.392 8.285 ( 3.253 0.000 -0.324) 3.269 8.384 ( 2.607 0.000 1.155) 2.851 8.466 ( -4.555 0.000 1.289) 4.734 8.763 ( 7.640 0.000 3.634) 8.460 8.853 ( -2.990 0.000 0.627) 3.055 8.929 ( 0.786 0.000 -0.226) 0.818 8.977 ( 1.162 0.000 -10.516) 10.580 9.166 ( -1.979 0.000 4.414) 4.838 9.446 ( -3.064 0.000 -0.298) 3.078 9.527 ( -2.158 0.000 -0.147) 2.163 9.579 ( -2.898 0.000 -0.676) 2.976 10.098 ( 2.062 0.000 -0.773) 2.202 10.211 ( 2.990 0.000 -0.965) 3.142 10.465 ( 2.872 0.000 2.626) 3.892 10.505 ( 12.154 0.000 -0.295) 12.158 10.546 ( 1.055 0.000 0.796) 1.322 10.617 ( -9.262 0.000 -5.099) 10.573 10.642 ( -0.881 0.000 3.593) 3.699 10.823 ( -7.731 0.000 1.674) 7.910 10.921 ( -7.568 0.000 -2.113) 7.858 10.933 ( 5.219 0.000 0.032) 5.219 10.985 ( -1.444 0.000 1.004) 1.759 11.337 ( -0.712 0.000 -0.721) 1.013 11.572 ( 16.837 0.000 -2.278) 16.990 11.667 ( 3.045 0.000 2.630) 4.023 11.729 ( 0.584 0.000 1.788) 1.881 11.795 ( 1.622 0.000 -2.560) 3.030 11.952 ( -14.879 0.000 -0.665) 14.894 12.043 ( -8.280 0.000 0.501) 8.296 13.132 ( -0.982 0.000 1.853) 2.097 13.443 ( 6.554 0.000 -2.070) 6.873 13.622 ( 1.996 0.000 2.044) 2.857 13.626 ( -2.792 0.000 2.737) 3.910 13.804 ( 13.281 0.000 -0.218) 13.282 13.839 ( 2.312 0.000 -1.722) 2.883 14.080 ( -12.801 0.000 -4.018) 13.417 14.378 ( -2.846 0.000 0.922) 2.992 14.444 ( -3.680 0.000 -2.532) 4.467 14.507 ( -2.858 0.000 2.138) 3.569 14.705 ( 2.680 0.000 1.754) 3.203 14.930 ( -4.002 0.000 -0.477) 4.030 15.369 ( 4.256 0.000 -1.809) 4.624 15.501 ( 0.367 0.000 1.717) 1.756 15.657 ( 3.832 0.000 0.395) 3.852 15.774 ( -2.331 0.000 -0.824) 2.472 16.411 ( 3.803 0.000 -0.276) 3.813 16.629 ( 2.842 0.000 1.318) 3.133 16.717 ( -7.243 0.000 -0.296) 7.249 16.809 ( -5.969 0.000 -0.676) 6.007 17.066 ( -0.271 0.000 0.277) 0.388 17.173 ( 1.028 0.000 -0.697) 1.242 17.312 ( 5.769 0.000 -0.591) 5.799 17.347 ( 7.106 0.000 0.836) 7.155 17.616 ( -2.255 0.000 0.369) 2.285 17.651 ( -4.360 0.000 -0.200) 4.364 17.675 ( 0.376 0.000 -0.412) 0.558 17.711 ( 3.197 0.000 0.145) 3.200 17.793 ( 3.410 0.000 0.266) 3.421 17.876 ( 2.601 0.000 -0.339) 2.623 18.001 ( -6.835 0.000 0.549) 6.857 18.039 ( -1.952 0.000 -0.310) 1.977 18.233 ( -0.555 0.000 0.086) 0.562 18.459 ( 4.383 0.000 -0.536) 4.416 18.713 ( 1.137 0.000 -0.206) 1.156 18.776 ( -0.270 0.000 2.631) 2.645 18.960 ( -3.855 0.000 -0.752) 3.928 19.019 ( -2.205 0.000 0.011) 2.205 19.293 ( -1.089 0.000 -1.626) 1.957 19.530 ( 1.048 0.000 0.556) 1.186 19.774 ( 2.333 0.000 0.324) 2.356 19.831 ( -1.134 0.000 -0.763) 1.367 19.881 ( 2.881 0.000 -0.609) 2.944 20.016 ( -1.017 0.000 1.480) 1.796 20.282 ( 0.939 0.000 0.674) 1.156 20.833 ( 1.133 0.000 -0.443) 1.217 20.872 ( -0.874 0.000 -1.120) 1.421 20.903 ( 2.198 0.000 1.650) 2.749 21.252 ( -0.092 0.000 -0.009) 0.093 21.305 ( -1.962 0.000 -0.278) 1.982 21.695 ( 0.485 0.000 -0.464) 0.671 21.850 ( 0.977 0.000 -0.097) 0.982 22.698 ( -0.347 0.000 -0.396) 0.526 22.854 ( 1.218 0.000 -1.615) 2.023 22.894 ( -1.951 0.000 4.957) 5.327 22.904 ( 1.320 0.000 0.437) 1.390 23.116 ( 0.623 0.000 -2.458) 2.535 23.229 ( -0.421 0.000 0.459) 0.623 23.298 ( -0.228 0.000 -0.709) 0.745 23.470 ( 2.691 0.000 0.720) 2.786 23.991 ( 7.445 0.000 4.245) 8.570 24.161 ( 3.367 0.000 -1.722) 3.781 24.297 ( -12.448 0.000 -5.699) 13.690 24.521 ( -5.755 0.000 7.435) 9.402 25.102 ( 0.979 0.000 -0.160) 0.992 25.198 ( -1.138 0.000 -1.178) 1.638 25.293 ( 2.835 0.000 1.428) 3.174 25.403 ( -2.996 0.000 -1.417) 3.314 26.310 ( -0.259 0.000 -0.342) 0.429 26.380 ( 0.242 0.000 0.535) 0.587 26.823 ( 1.524 0.000 -1.039) 1.844 27.225 ( 0.167 0.000 -0.916) 0.931 27.467 ( 3.492 0.000 0.701) 3.562 27.505 ( 4.591 0.000 7.244) 8.577 27.700 ( 0.315 0.000 0.801) 0.861 27.788 ( -3.099 0.000 -2.870) 4.223 27.869 ( -0.557 0.000 -0.891) 1.051 27.987 ( -0.013 0.000 -5.301) 5.301 27.996 ( -1.108 0.000 -0.629) 1.274 28.420 ( 1.131 0.000 -0.502) 1.237 28.560 ( 6.919 0.000 2.478) 7.349 28.736 ( -8.317 0.000 -7.390) 11.126 28.797 ( 7.625 0.000 2.840) 8.136 28.952 ( -3.891 0.000 -4.304) 5.802 29.344 ( 4.689 0.000 2.666) 5.394 29.456 ( 1.779 0.000 -1.928) 2.624 30.124 ( -9.679 0.000 0.380) 9.686 30.160 ( -0.499 0.000 2.187) 2.244 30.239 ( -0.956 0.000 -0.046) 0.958 30.580 ( 1.743 0.000 -0.106) 1.747 30.580 ( -0.694 0.000 -2.441) 2.538 30.898 ( 2.878 0.000 -0.912) 3.019 31.183 ( 0.816 0.000 1.011) 1.299 31.303 ( 2.658 0.000 0.657) 2.738 31.598 ( -6.180 0.000 -0.930) 6.250 31.694 ( 1.601 0.000 0.379) 1.645 32.194 ( -0.140 0.000 1.964) 1.969 32.417 ( 0.084 0.000 -0.112) 0.140 32.541 ( 1.270 0.000 1.875) 2.264 32.679 ( -0.438 0.000 -6.496) 6.511 36.895 ( 0.074 0.000 -0.019) 0.076 36.942 ( 0.012 0.000 0.078) 0.079 37.451 ( 2.664 0.000 -0.556) 2.722 37.813 ( 1.077 0.000 -3.943) 4.088 39.318 ( -0.028 0.000 0.011) 0.030 39.587 ( -0.528 0.000 -0.033) 0.529 40.071 ( -0.264 0.000 -1.574) 1.596 41.047 ( -0.745 0.000 2.727) 2.827 ======================= Grid point 5 (4/55) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 0.000 22.886 0.000) 22.886 0.634 ( 0.000 30.914 0.000) 30.914 1.048 ( 0.000 49.403 0.000) 49.403 1.434 ( 0.000 17.112 0.000) 17.112 1.556 ( 0.000 7.947 0.000) 7.947 1.682 ( 0.000 -4.802 0.000) 4.802 1.854 ( 0.000 2.826 0.000) 2.826 1.926 ( 0.000 2.694 0.000) 2.694 1.953 ( 0.000 -7.963 0.000) 7.963 2.142 ( 0.000 10.606 0.000) 10.606 2.261 ( 0.000 1.181 0.000) 1.181 2.270 ( 0.000 5.195 0.000) 5.195 2.405 ( 0.000 -1.830 0.000) 1.830 2.562 ( 0.000 -3.288 0.000) 3.288 2.622 ( 0.000 -0.196 0.000) 0.196 2.641 ( 0.000 0.720 0.000) 0.720 2.675 ( 0.000 -1.925 0.000) 1.925 2.732 ( 0.000 1.768 0.000) 1.768 2.764 ( 0.000 -3.650 0.000) 3.650 2.810 ( 0.000 -1.244 0.000) 1.244 2.865 ( 0.000 2.075 0.000) 2.075 2.897 ( 0.000 -3.108 0.000) 3.108 2.996 ( 0.000 -4.569 0.000) 4.569 3.009 ( 0.000 -0.425 0.000) 0.425 3.130 ( 0.000 5.021 0.000) 5.021 3.140 ( 0.000 1.581 0.000) 1.581 3.226 ( 0.000 -1.349 0.000) 1.349 3.297 ( 0.000 -1.736 0.000) 1.736 3.368 ( 0.000 3.180 0.000) 3.180 3.480 ( 0.000 3.515 0.000) 3.515 3.565 ( 0.000 1.356 0.000) 1.356 3.677 ( 0.000 -0.732 0.000) 0.732 3.879 ( 0.000 1.077 0.000) 1.077 3.945 ( 0.000 -2.697 0.000) 2.697 4.051 ( 0.000 -0.075 0.000) 0.075 4.056 ( 0.000 0.856 0.000) 0.856 4.113 ( 0.000 -1.896 0.000) 1.896 4.177 ( 0.000 5.164 0.000) 5.164 4.247 ( 0.000 1.116 0.000) 1.116 4.621 ( 0.000 6.785 0.000) 6.785 4.684 ( 0.000 -2.176 0.000) 2.176 4.843 ( 0.000 15.249 0.000) 15.249 4.904 ( 0.000 5.528 0.000) 5.528 4.930 ( 0.000 -1.462 0.000) 1.462 5.020 ( 0.000 4.004 0.000) 4.004 5.186 ( 0.000 0.983 0.000) 0.983 5.226 ( 0.000 2.298 0.000) 2.298 5.507 ( 0.000 4.292 0.000) 4.292 5.618 ( 0.000 2.463 0.000) 2.463 5.693 ( 0.000 6.500 0.000) 6.500 5.770 ( 0.000 -8.322 0.000) 8.322 6.030 ( 0.000 2.697 0.000) 2.697 6.119 ( 0.000 0.298 0.000) 0.298 6.169 ( 0.000 -4.046 0.000) 4.046 6.192 ( 0.000 -5.430 0.000) 5.430 6.393 ( 0.000 -0.016 0.000) 0.016 6.534 ( 0.000 -4.350 0.000) 4.350 6.714 ( 0.000 -3.996 0.000) 3.996 7.179 ( 0.000 -3.434 0.000) 3.434 7.249 ( 0.000 -0.153 0.000) 0.153 7.260 ( 0.000 -4.655 0.000) 4.655 7.414 ( 0.000 9.255 0.000) 9.255 7.809 ( 0.000 -12.509 0.000) 12.509 7.915 ( 0.000 -10.408 0.000) 10.408 8.128 ( 0.000 3.850 0.000) 3.850 8.147 ( 0.000 -8.079 0.000) 8.079 8.254 ( 0.000 0.484 0.000) 0.484 8.260 ( 0.000 0.257 0.000) 0.257 8.401 ( 0.000 -5.385 0.000) 5.385 8.433 ( 0.000 1.448 0.000) 1.448 8.473 ( 0.000 6.421 0.000) 6.421 8.667 ( 0.000 2.762 0.000) 2.762 8.943 ( 0.000 1.897 0.000) 1.897 9.053 ( 0.000 1.952 0.000) 1.952 9.211 ( 0.000 -0.194 0.000) 0.194 9.331 ( 0.000 -5.666 0.000) 5.666 9.631 ( 0.000 1.222 0.000) 1.222 9.879 ( 0.000 7.511 0.000) 7.511 10.024 ( 0.000 0.090 0.000) 0.090 10.188 ( 0.000 -2.100 0.000) 2.100 10.415 ( 0.000 -2.024 0.000) 2.024 10.439 ( 0.000 1.447 0.000) 1.447 10.500 ( 0.000 2.349 0.000) 2.349 10.541 ( 0.000 -3.575 0.000) 3.575 10.572 ( 0.000 -0.572 0.000) 0.572 10.760 ( 0.000 6.412 0.000) 6.412 10.841 ( 0.000 -5.033 0.000) 5.033 11.067 ( 0.000 -0.596 0.000) 0.596 11.246 ( 0.000 -3.337 0.000) 3.337 11.258 ( 0.000 -2.744 0.000) 2.744 11.484 ( 0.000 -3.945 0.000) 3.945 11.588 ( 0.000 -5.589 0.000) 5.589 11.591 ( 0.000 1.904 0.000) 1.904 11.782 ( 0.000 8.333 0.000) 8.333 12.267 ( 0.000 -5.685 0.000) 5.685 12.392 ( 0.000 -0.841 0.000) 0.841 13.103 ( 0.000 -2.607 0.000) 2.607 13.296 ( 0.000 1.713 0.000) 1.713 13.421 ( 0.000 -6.326 0.000) 6.326 13.559 ( 0.000 3.639 0.000) 3.639 13.652 ( 0.000 -0.493 0.000) 0.493 13.910 ( 0.000 -1.294 0.000) 1.294 14.063 ( 0.000 5.030 0.000) 5.030 14.353 ( 0.000 2.518 0.000) 2.518 14.634 ( 0.000 -1.592 0.000) 1.592 14.669 ( 0.000 -5.059 0.000) 5.059 14.742 ( 0.000 1.301 0.000) 1.301 14.909 ( 0.000 -7.819 0.000) 7.819 15.303 ( 0.000 3.199 0.000) 3.199 15.432 ( 0.000 -2.160 0.000) 2.160 15.584 ( 0.000 3.364 0.000) 3.364 15.730 ( 0.000 1.486 0.000) 1.486 16.331 ( 0.000 0.764 0.000) 0.764 16.578 ( 0.000 -1.289 0.000) 1.289 16.922 ( 0.000 -4.733 0.000) 4.733 16.942 ( 0.000 2.151 0.000) 2.151 17.021 ( 0.000 -2.970 0.000) 2.970 17.037 ( 0.000 4.494 0.000) 4.494 17.114 ( 0.000 -0.382 0.000) 0.382 17.244 ( 0.000 -0.878 0.000) 0.878 17.597 ( 0.000 2.424 0.000) 2.424 17.618 ( 0.000 -0.785 0.000) 0.785 17.704 ( 0.000 0.345 0.000) 0.345 17.729 ( 0.000 -1.550 0.000) 1.550 17.845 ( 0.000 -2.917 0.000) 2.917 17.869 ( 0.000 -3.877 0.000) 3.877 17.889 ( 0.000 -0.883 0.000) 0.883 17.971 ( 0.000 -5.196 0.000) 5.196 18.255 ( 0.000 2.127 0.000) 2.127 18.342 ( 0.000 1.375 0.000) 1.375 18.700 ( 0.000 2.157 0.000) 2.157 18.779 ( 0.000 4.806 0.000) 4.806 19.119 ( 0.000 -2.095 0.000) 2.095 19.276 ( 0.000 1.929 0.000) 1.929 19.349 ( 0.000 -0.030 0.000) 0.030 19.439 ( 0.000 0.393 0.000) 0.393 19.660 ( 0.000 -2.576 0.000) 2.576 19.749 ( 0.000 0.925 0.000) 0.925 19.790 ( 0.000 -6.659 0.000) 6.659 19.881 ( 0.000 -1.259 0.000) 1.259 20.325 ( 0.000 7.443 0.000) 7.443 20.823 ( 0.000 2.970 0.000) 2.970 20.853 ( 0.000 -0.683 0.000) 0.683 20.905 ( 0.000 -1.240 0.000) 1.240 21.192 ( 0.000 -2.904 0.000) 2.904 21.334 ( 0.000 -2.708 0.000) 2.708 21.604 ( 0.000 -8.618 0.000) 8.618 21.772 ( 0.000 -3.647 0.000) 3.647 22.729 ( 0.000 -1.339 0.000) 1.339 22.741 ( 0.000 -3.299 0.000) 3.299 22.792 ( 0.000 -1.513 0.000) 1.513 22.802 ( 0.000 -2.587 0.000) 2.587 23.066 ( 0.000 1.482 0.000) 1.482 23.310 ( 0.000 1.082 0.000) 1.082 23.311 ( 0.000 0.618 0.000) 0.618 23.372 ( 0.000 2.417 0.000) 2.417 24.039 ( 0.000 -2.550 0.000) 2.550 24.246 ( 0.000 -0.979 0.000) 0.979 24.333 ( 0.000 -1.554 0.000) 1.554 24.602 ( 0.000 -8.789 0.000) 8.789 25.106 ( 0.000 2.550 0.000) 2.550 25.197 ( 0.000 0.744 0.000) 0.744 25.230 ( 0.000 1.786 0.000) 1.786 25.525 ( 0.000 -2.142 0.000) 2.142 26.405 ( 0.000 6.341 0.000) 6.341 26.423 ( 0.000 1.021 0.000) 1.021 26.653 ( 0.000 2.950 0.000) 2.950 26.798 ( 0.000 5.869 0.000) 5.869 27.280 ( 0.000 4.947 0.000) 4.947 27.446 ( 0.000 0.910 0.000) 0.910 27.569 ( 0.000 -3.558 0.000) 3.558 27.709 ( 0.000 3.295 0.000) 3.295 27.797 ( 0.000 -9.438 0.000) 9.438 27.985 ( 0.000 8.987 0.000) 8.987 28.223 ( 0.000 -6.045 0.000) 6.045 28.287 ( 0.000 6.614 0.000) 6.614 28.350 ( 0.000 -1.873 0.000) 1.873 28.523 ( 0.000 3.724 0.000) 3.724 28.877 ( 0.000 15.749 0.000) 15.749 29.149 ( 0.000 10.870 0.000) 10.870 29.366 ( 0.000 1.210 0.000) 1.210 29.911 ( 0.000 -7.398 0.000) 7.398 30.140 ( 0.000 -6.786 0.000) 6.786 30.598 ( 0.000 4.585 0.000) 4.585 30.640 ( 0.000 0.707 0.000) 0.707 30.668 ( 0.000 10.974 0.000) 10.974 30.761 ( 0.000 -0.688 0.000) 0.688 30.855 ( 0.000 -1.191 0.000) 1.191 31.135 ( 0.000 0.960 0.000) 0.960 31.559 ( 0.000 -2.276 0.000) 2.276 31.586 ( 0.000 -2.211 0.000) 2.211 31.794 ( 0.000 -4.812 0.000) 4.812 32.058 ( 0.000 -3.013 0.000) 3.013 32.184 ( 0.000 0.058 0.000) 0.058 32.430 ( 0.000 -5.470 0.000) 5.470 32.597 ( 0.000 -2.229 0.000) 2.229 36.885 ( 0.000 -0.663 0.000) 0.663 36.918 ( 0.000 -2.022 0.000) 2.022 37.351 ( 0.000 -1.401 0.000) 1.401 37.420 ( 0.000 -0.073 0.000) 0.073 39.354 ( 0.000 3.398 0.000) 3.398 39.606 ( 0.000 -0.722 0.000) 0.722 40.393 ( 0.000 6.226 0.000) 6.226 40.841 ( 0.000 1.477 0.000) 1.477 ======================= Grid point 6 (5/55) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 16.925 18.673 -5.050) 25.703 0.817 ( 13.905 23.198 1.053) 27.067 1.435 ( 10.810 14.375 5.110) 18.697 1.472 ( 24.457 17.497 -0.502) 30.076 1.595 ( -6.576 -1.391 -0.276) 6.727 1.771 ( 12.329 4.063 0.874) 13.010 1.829 ( -9.983 -4.855 -0.127) 11.101 1.901 ( -0.396 0.928 -1.771) 2.039 1.945 ( 9.213 6.058 -0.808) 11.056 2.071 ( -3.820 6.284 1.828) 7.578 2.225 ( -2.978 3.733 2.539) 5.408 2.341 ( -1.660 -0.104 -1.314) 2.120 2.384 ( 2.974 1.747 -0.877) 3.559 2.477 ( -7.570 0.347 -0.575) 7.599 2.538 ( -8.068 2.374 1.955) 8.635 2.644 ( -1.017 1.217 0.668) 1.722 2.697 ( -0.598 -0.948 -0.694) 1.318 2.716 ( 0.572 -0.616 -2.000) 2.169 2.753 ( 2.572 2.773 -1.314) 4.004 2.842 ( 1.420 -2.057 0.864) 2.644 2.864 ( -3.414 -5.395 1.007) 6.464 2.920 ( 2.423 -1.771 3.269) 4.438 2.984 ( -2.246 -2.944 -1.861) 4.145 3.029 ( 3.165 -1.375 -0.983) 3.588 3.092 ( 0.185 2.060 1.470) 2.538 3.145 ( -1.076 2.978 1.902) 3.693 3.230 ( -5.256 -1.682 -5.467) 7.768 3.285 ( 5.193 1.638 -0.671) 5.487 3.398 ( -1.728 1.483 -0.288) 2.295 3.519 ( 0.696 1.506 -1.316) 2.117 3.570 ( 4.266 1.252 -0.391) 4.463 3.717 ( 2.927 1.100 -0.907) 3.256 3.907 ( 2.137 -1.457 2.374) 3.510 3.963 ( 0.263 -2.165 0.194) 2.190 4.009 ( -2.772 -0.540 -0.127) 2.827 4.060 ( -0.269 -0.061 2.285) 2.302 4.133 ( 2.220 -0.651 -2.200) 3.192 4.152 ( -0.598 3.026 -2.620) 4.047 4.285 ( 1.857 1.710 1.973) 3.204 4.498 ( -7.235 6.255 -3.499) 10.184 4.689 ( -4.577 1.833 5.234) 7.190 4.770 ( -6.560 11.237 4.093) 13.640 4.831 ( -0.872 3.897 -1.596) 4.300 4.911 ( -2.529 4.835 -0.054) 5.457 5.027 ( -4.472 2.489 6.697) 8.429 5.170 ( -1.147 11.090 3.421) 11.662 5.226 ( 0.173 -0.458 -8.244) 8.258 5.486 ( 2.625 7.979 -1.059) 8.466 5.588 ( -1.023 2.084 0.970) 2.515 5.692 ( 2.110 3.375 -1.211) 4.160 5.745 ( -2.384 -4.120 -0.852) 4.835 5.953 ( 0.050 3.049 2.506) 3.947 6.042 ( 0.626 0.987 2.550) 2.805 6.173 ( -2.089 -3.991 0.931) 4.600 6.292 ( 3.951 -5.693 -1.419) 7.073 6.452 ( 5.569 0.199 0.335) 5.582 6.632 ( -3.459 -6.072 -3.744) 7.928 6.794 ( -3.666 -11.555 6.042) 13.545 7.124 ( -3.369 -4.684 -0.692) 5.811 7.205 ( 0.943 -6.442 0.468) 6.528 7.317 ( 4.271 0.357 1.182) 4.446 7.423 ( 0.330 3.463 0.820) 3.574 7.793 ( -2.395 -5.001 0.850) 5.609 7.839 ( -5.336 -5.934 -0.721) 8.013 8.030 ( -4.484 -1.449 0.101) 4.714 8.081 ( -2.350 3.049 1.193) 4.030 8.201 ( -4.030 -3.184 0.551) 5.166 8.292 ( -2.219 0.276 -2.211) 3.145 8.318 ( 2.597 -1.310 2.853) 4.074 8.461 ( 2.974 2.220 -0.633) 3.765 8.592 ( 8.129 0.818 2.248) 8.474 8.768 ( 4.310 -5.586 -1.230) 7.162 8.910 ( -1.109 3.483 2.378) 4.361 9.013 ( -2.283 1.638 -0.605) 2.874 9.135 ( -0.669 -2.453 -1.836) 3.136 9.377 ( -2.266 -5.082 -2.058) 5.933 9.675 ( 1.924 5.788 -4.642) 7.665 9.928 ( 1.111 7.667 1.932) 7.984 10.044 ( 1.773 -0.232 0.019) 1.788 10.236 ( -0.727 2.298 -1.194) 2.690 10.270 ( 0.228 0.186 -1.755) 1.780 10.430 ( 0.666 -2.688 3.512) 4.472 10.483 ( -0.268 -0.112 1.135) 1.172 10.570 ( -0.258 -3.660 -0.258) 3.678 10.749 ( -0.847 -4.866 -4.546) 6.712 10.834 ( 8.067 1.251 3.908) 9.051 10.853 ( 5.196 2.426 -0.305) 5.743 11.019 ( -2.893 0.073 -0.053) 2.894 11.140 ( -7.803 1.097 -1.389) 8.001 11.279 ( 1.792 -1.968 -1.131) 2.892 11.429 ( -1.168 -2.357 -0.601) 2.698 11.582 ( -0.015 -5.532 -0.052) 5.532 11.643 ( 1.536 0.395 2.315) 2.806 11.806 ( 3.212 4.792 -0.989) 5.853 12.201 ( -8.187 -1.459 -1.869) 8.524 12.298 ( -8.455 2.078 0.902) 8.753 13.056 ( -2.934 -5.331 0.800) 6.137 13.366 ( 5.657 4.888 -0.475) 7.491 13.453 ( 2.009 -7.015 3.289) 8.004 13.539 ( 6.554 -0.823 -3.359) 7.410 13.660 ( -0.242 -1.266 2.159) 2.515 13.869 ( 2.725 2.258 -4.715) 5.895 14.267 ( -2.442 -3.669 3.455) 5.600 14.324 ( 0.094 0.960 -0.457) 1.067 14.509 ( -6.001 -3.481 1.035) 7.014 14.621 ( -3.162 -0.588 -2.443) 4.039 14.720 ( -2.935 1.945 0.666) 3.584 14.953 ( 2.003 -5.837 -0.403) 6.185 15.325 ( 1.994 3.405 -0.099) 3.948 15.462 ( 1.618 0.115 1.842) 2.454 15.574 ( 0.871 -1.433 -0.295) 1.702 15.783 ( 2.246 0.206 -0.249) 2.269 16.358 ( 2.626 1.203 -0.311) 2.905 16.581 ( 0.248 -1.131 0.911) 1.473 16.852 ( -6.385 -3.641 0.293) 7.356 16.896 ( -5.672 -2.443 0.025) 6.176 17.051 ( 2.616 -1.735 -0.719) 3.220 17.076 ( 3.675 0.273 -1.709) 4.062 17.183 ( 7.042 1.848 0.375) 7.290 17.243 ( 0.181 -0.444 0.503) 0.695 17.603 ( 0.588 -2.202 1.531) 2.745 17.642 ( -2.306 -1.905 -0.676) 3.066 17.678 ( 2.317 1.473 -0.515) 2.793 17.746 ( 1.699 0.981 0.593) 2.049 17.776 ( -3.126 -0.975 -0.486) 3.310 17.842 ( 0.418 -0.169 1.032) 1.127 17.994 ( 6.415 -2.017 -1.772) 6.954 18.105 ( 1.174 -1.234 2.680) 3.175 18.269 ( 4.413 -2.942 -0.911) 5.381 18.303 ( -2.607 1.137 0.023) 2.844 18.688 ( -1.795 0.072 1.338) 2.240 18.783 ( -0.478 2.143 0.269) 2.212 19.051 ( -4.573 0.080 0.107) 4.575 19.180 ( -5.685 4.220 -0.886) 7.136 19.348 ( -1.049 1.164 -1.287) 2.028 19.481 ( 2.359 -0.377 1.592) 2.870 19.693 ( 2.863 -1.263 -0.483) 3.167 19.772 ( 4.111 -3.000 -2.130) 5.518 19.797 ( -0.023 -4.182 1.089) 4.321 19.942 ( 1.657 -5.130 2.228) 5.833 20.340 ( 1.293 7.519 0.639) 7.656 20.847 ( 1.697 3.138 -0.423) 3.593 20.850 ( 0.751 0.126 0.341) 0.834 20.909 ( 0.730 0.187 -0.615) 0.973 21.189 ( -0.490 -4.807 -0.290) 4.840 21.313 ( -2.168 -3.302 0.075) 3.951 21.606 ( 0.788 -7.602 -0.566) 7.664 21.787 ( 1.459 -3.803 -0.207) 4.078 22.696 ( -0.710 -1.805 -0.778) 2.090 22.784 ( 0.372 -3.993 3.209) 5.136 22.822 ( 2.180 -2.285 -0.931) 3.292 22.873 ( 2.824 -2.856 4.048) 5.702 23.088 ( 2.402 0.357 -3.208) 4.024 23.307 ( -0.824 1.639 1.247) 2.218 23.322 ( 1.055 1.395 0.344) 1.783 23.407 ( 2.919 1.375 1.246) 3.459 23.989 ( -5.334 5.754 -3.141) 8.451 24.073 ( 1.606 -1.200 -2.496) 3.202 24.456 ( -6.008 -10.514 9.300) 15.269 24.504 ( -6.498 -7.080 1.852) 9.787 25.109 ( 0.783 2.645 -1.171) 2.997 25.217 ( 1.161 0.620 -1.207) 1.786 25.254 ( 1.874 2.087 2.053) 3.476 25.509 ( -2.705 0.304 -1.997) 3.377 26.346 ( -1.424 3.292 0.232) 3.594 26.419 ( 1.162 5.187 0.064) 5.316 26.751 ( 4.957 -1.735 -2.849) 5.975 27.105 ( 15.729 -9.411 4.854) 18.962 27.275 ( 0.399 4.633 -1.121) 4.783 27.445 ( 1.187 1.436 1.702) 2.523 27.589 ( 0.944 -5.341 0.195) 5.427 27.761 ( -0.313 -1.063 0.352) 1.163 27.845 ( 6.819 -9.384 -1.025) 11.645 27.958 ( -2.251 5.821 0.064) 6.241 28.200 ( -4.360 -1.213 4.024) 6.056 28.286 ( 4.279 0.634 -11.618) 12.397 28.356 ( -0.250 -7.097 0.515) 7.120 28.562 ( 4.678 7.431 -5.544) 10.385 28.912 ( 4.334 16.961 2.769) 17.724 29.260 ( 7.604 8.614 4.251) 12.251 29.319 ( -3.580 3.415 -1.111) 5.070 29.881 ( -2.082 0.910 -8.831) 9.119 30.124 ( -2.527 -7.643 2.189) 8.342 30.304 ( -25.847 15.996 13.320) 33.187 30.510 ( -11.821 11.298 -6.616) 17.639 30.639 ( -0.357 2.912 -1.812) 3.448 30.733 ( -0.280 11.360 -9.690) 14.934 30.812 ( 3.988 -0.786 -4.231) 5.867 31.157 ( 0.770 0.969 3.671) 3.874 31.250 ( -0.281 2.763 -1.116) 2.993 31.604 ( 1.695 -3.841 -0.416) 4.219 31.726 ( -6.450 -3.399 -0.192) 7.293 32.158 ( 0.607 -2.584 2.970) 3.983 32.318 ( 4.494 -6.385 -2.487) 8.195 32.464 ( 2.361 -5.065 2.010) 5.938 32.634 ( 3.024 -5.745 -8.751) 10.896 36.886 ( 0.216 -0.574 -0.067) 0.617 36.920 ( 0.122 -1.876 -0.079) 1.882 37.373 ( 3.638 -0.646 -1.146) 3.869 37.654 ( 11.625 -9.209 -4.263) 15.431 39.350 ( -0.158 3.292 -0.182) 3.301 39.608 ( -0.011 -0.160 -1.251) 1.261 40.303 ( -4.009 14.465 -2.622) 15.237 40.891 ( 0.276 -8.046 7.617) 11.083 ======================= Grid point 7 (6/55) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 21.967 10.259 -1.026) 24.267 1.126 ( 15.101 7.563 0.572) 16.898 1.433 ( -10.537 3.832 2.434) 11.473 1.485 ( -3.263 3.087 -0.693) 4.546 1.557 ( -14.034 -3.718 -1.852) 14.636 1.836 ( 9.366 1.382 -3.390) 10.056 1.911 ( -0.137 1.502 3.012) 3.368 2.015 ( 0.748 3.024 -0.925) 3.249 2.051 ( 9.645 2.330 -1.279) 10.005 2.183 ( 0.780 2.169 3.796) 4.441 2.225 ( 2.603 10.262 -1.655) 10.716 2.273 ( -3.286 0.036 6.114) 6.941 2.306 ( -6.514 1.019 -1.594) 6.783 2.403 ( 7.082 0.134 1.194) 7.183 2.504 ( 1.400 2.968 -0.250) 3.291 2.615 ( -1.623 0.676 -0.650) 1.874 2.632 ( -1.099 1.885 -3.004) 3.713 2.708 ( -2.044 1.988 -2.102) 3.542 2.780 ( -2.726 -2.256 2.485) 4.324 2.836 ( 2.602 1.343 -0.755) 3.024 2.899 ( 0.992 -3.571 0.524) 3.743 2.901 ( -0.154 -1.895 0.590) 1.990 3.007 ( 2.917 -0.060 0.276) 2.930 3.068 ( -0.094 0.356 -1.863) 1.899 3.109 ( -1.236 0.330 -0.416) 1.345 3.126 ( -1.234 -0.762 -0.342) 1.490 3.148 ( 2.543 1.619 1.455) 3.348 3.271 ( -9.316 4.685 -0.117) 10.429 3.383 ( 3.433 -1.183 0.153) 3.635 3.513 ( 0.183 2.599 -1.040) 2.805 3.643 ( 1.284 -2.446 0.608) 2.829 3.783 ( 3.369 0.566 -0.314) 3.430 3.914 ( -2.288 -0.959 -0.647) 2.564 3.971 ( 2.353 -2.405 -0.531) 3.407 3.995 ( 0.479 -1.311 1.039) 1.739 4.066 ( -0.714 1.897 3.442) 3.995 4.112 ( -2.032 6.507 -5.217) 8.584 4.161 ( 0.712 -2.762 -0.545) 2.904 4.265 ( -1.679 6.194 -0.247) 6.422 4.478 ( 4.549 2.411 -0.535) 5.176 4.574 ( -6.155 3.471 4.353) 8.299 4.719 ( -1.514 3.465 -0.519) 3.817 4.797 ( -3.451 7.325 -2.113) 8.368 4.894 ( 3.278 11.473 2.899) 12.279 4.975 ( -1.455 2.356 6.415) 6.987 5.043 ( -6.667 13.566 -7.956) 17.082 5.282 ( 1.321 -1.558 1.730) 2.677 5.535 ( 2.289 5.362 1.620) 6.051 5.581 ( -0.381 4.401 -2.249) 4.957 5.708 ( -0.471 -9.419 2.570) 9.775 5.793 ( 5.040 0.779 -2.779) 5.808 5.964 ( 0.717 2.211 1.240) 2.634 6.041 ( -2.598 -1.086 1.077) 3.015 6.169 ( 0.928 -1.562 0.432) 1.868 6.315 ( 0.290 -2.111 -1.969) 2.901 6.499 ( -5.474 -8.106 0.127) 9.782 6.578 ( 2.163 1.336 0.484) 2.588 6.630 ( -5.010 -1.878 1.413) 5.534 7.077 ( -2.269 -5.284 -0.238) 5.756 7.251 ( 2.207 -4.461 -0.383) 4.992 7.408 ( 2.025 -0.900 1.544) 2.701 7.441 ( 2.761 -1.129 -0.843) 3.099 7.666 ( -5.800 1.564 0.298) 6.015 7.836 ( 0.699 -4.908 0.092) 4.958 7.994 ( -0.316 -3.913 0.568) 3.966 8.104 ( 1.907 -0.799 -0.658) 2.170 8.140 ( -1.346 -5.407 -0.121) 5.573 8.271 ( 0.169 -1.720 0.618) 1.835 8.392 ( 2.475 1.178 1.268) 3.020 8.500 ( 1.586 4.495 0.253) 4.773 8.687 ( 0.341 -12.559 -1.463) 12.648 8.812 ( 0.515 -1.705 0.231) 1.796 8.874 ( -0.314 -1.944 1.191) 2.302 9.031 ( 0.944 6.934 -1.199) 7.100 9.133 ( 1.595 -3.726 1.205) 4.228 9.239 ( -8.054 -9.310 -1.753) 12.434 9.688 ( 1.214 15.346 -1.757) 15.494 9.929 ( -0.719 14.143 0.863) 14.188 10.082 ( 1.545 -1.287 0.040) 2.012 10.227 ( 1.678 0.793 -0.734) 1.995 10.379 ( 6.556 -4.101 2.049) 8.000 10.461 ( 1.881 -3.129 -1.330) 3.885 10.513 ( -0.473 -5.057 0.486) 5.102 10.534 ( -5.266 -4.219 -1.281) 6.869 10.624 ( 0.031 -1.112 2.340) 2.591 10.849 ( -2.865 1.833 -0.892) 3.516 10.933 ( -8.522 1.431 -2.362) 8.958 11.002 ( 1.560 2.767 0.927) 3.308 11.020 ( 1.727 3.021 0.959) 3.610 11.368 ( 3.983 2.284 -1.139) 4.731 11.500 ( 8.749 -4.429 -3.272) 10.338 11.586 ( 0.954 -7.806 0.984) 7.925 11.659 ( -2.609 -2.576 4.893) 6.114 11.875 ( 4.567 4.915 -2.070) 7.021 11.999 ( -8.709 5.149 -2.243) 10.363 12.130 ( -7.441 5.270 1.556) 9.250 13.024 ( -0.933 -7.723 1.067) 7.851 13.456 ( 3.645 -2.515 1.819) 4.787 13.512 ( 0.559 -4.261 -2.488) 4.966 13.646 ( 1.544 -2.037 5.041) 5.652 13.741 ( 10.216 -2.884 -4.118) 11.386 13.922 ( 0.046 2.469 -0.120) 2.472 14.052 ( -9.693 -1.419 -1.538) 9.917 14.297 ( -3.975 -5.979 1.128) 7.268 14.467 ( 2.406 1.232 -2.509) 3.688 14.554 ( -5.695 4.441 1.031) 7.295 14.693 ( 0.856 -1.196 0.732) 1.643 14.948 ( -1.463 0.348 -0.095) 1.507 15.394 ( 4.460 2.504 -1.895) 5.454 15.484 ( -0.594 -0.713 2.068) 2.267 15.628 ( 3.443 -2.519 0.801) 4.340 15.779 ( -1.911 0.495 -0.706) 2.097 16.424 ( 3.670 1.237 -0.182) 3.878 16.612 ( 2.375 -1.735 0.984) 3.101 16.700 ( -6.953 -1.859 -0.171) 7.199 16.776 ( -5.252 -3.046 -0.230) 6.076 17.055 ( -0.374 -0.924 -0.267) 1.032 17.162 ( 3.010 -1.960 -0.815) 3.683 17.245 ( 0.714 -3.871 0.708) 3.999 17.338 ( 5.310 -2.212 -0.286) 5.759 17.577 ( -1.450 -1.849 -1.082) 2.587 17.641 ( 1.594 -0.402 2.037) 2.617 17.707 ( -2.683 1.466 -1.099) 3.249 17.777 ( 4.818 0.946 0.141) 4.912 17.787 ( 2.033 3.910 0.386) 4.424 17.898 ( 4.278 2.000 -0.170) 4.726 18.013 ( -6.979 1.806 0.489) 7.225 18.046 ( -1.583 0.731 -0.536) 1.824 18.247 ( -0.442 0.954 0.512) 1.169 18.435 ( 7.723 -2.810 -1.160) 8.300 18.631 ( -4.154 -5.697 1.638) 7.238 18.732 ( -3.443 -5.164 -0.194) 6.209 19.007 ( -0.462 5.725 0.895) 5.813 19.111 ( -1.148 6.585 -0.123) 6.685 19.311 ( -1.236 1.990 -1.490) 2.776 19.524 ( 1.150 -0.591 0.472) 1.376 19.743 ( 1.660 -2.937 0.281) 3.385 19.770 ( -0.665 -4.800 -0.887) 4.926 19.866 ( 3.268 -1.491 -0.416) 3.616 19.950 ( -0.927 -5.335 1.051) 5.516 20.369 ( 0.938 7.552 0.475) 7.625 20.861 ( 0.886 0.072 -2.183) 2.357 20.880 ( 0.319 3.308 1.881) 3.819 20.937 ( 1.861 2.042 0.205) 2.771 21.177 ( -0.457 -6.376 0.186) 6.395 21.261 ( -2.318 -4.052 -0.123) 4.670 21.623 ( 0.738 -6.975 -0.380) 7.025 21.813 ( 0.893 -3.975 -0.061) 4.074 22.687 ( -0.133 -1.128 -0.217) 1.157 22.798 ( 0.144 -4.351 0.969) 4.460 22.854 ( 0.912 -2.727 0.001) 2.876 22.908 ( 0.197 -0.750 1.024) 1.284 23.113 ( 1.120 0.730 -1.424) 1.953 23.306 ( 0.215 1.951 1.583) 2.522 23.334 ( -0.138 5.132 -0.557) 5.164 23.465 ( 1.757 -0.957 0.733) 2.131 23.978 ( 3.602 -0.796 2.122) 4.256 24.116 ( 2.934 -5.160 -4.426) 7.405 24.244 ( -10.659 -4.070 -0.877) 11.444 24.442 ( -3.646 -6.691 4.714) 8.960 25.122 ( 0.685 2.318 -0.779) 2.539 25.226 ( 0.295 3.059 -0.277) 3.086 25.303 ( 1.572 0.933 1.300) 2.243 25.441 ( -2.291 3.202 -1.248) 4.130 26.338 ( -0.028 2.819 -0.015) 2.819 26.435 ( 0.257 4.885 0.229) 4.897 26.813 ( 2.061 -1.266 -1.593) 2.896 27.247 ( 0.435 -0.329 0.231) 0.592 27.342 ( 4.128 -6.388 1.638) 7.780 27.515 ( 3.536 -0.674 1.985) 4.111 27.598 ( -0.095 -5.624 0.541) 5.651 27.757 ( -0.104 -2.303 0.530) 2.366 27.877 ( -2.663 -0.969 -2.442) 3.741 27.951 ( 1.797 -0.344 2.154) 2.827 28.135 ( -2.121 9.164 -1.098) 9.470 28.314 ( 1.925 -13.676 -4.481) 14.520 28.347 ( -0.408 -14.033 -0.255) 14.042 28.621 ( 2.392 13.168 -2.165) 13.557 29.058 ( 6.619 14.786 4.730) 16.877 29.237 ( -2.967 14.523 -3.533) 15.239 29.416 ( 4.855 7.012 1.650) 8.687 29.747 ( -4.815 18.201 -4.786) 19.426 30.031 ( -6.354 -6.589 2.328) 9.445 30.055 ( -4.817 -6.643 2.349) 8.535 30.354 ( -2.400 10.738 -0.566) 11.018 30.616 ( -0.541 3.830 -2.330) 4.516 30.720 ( 0.507 9.867 -1.456) 9.987 30.878 ( 3.043 -1.836 -0.410) 3.578 31.177 ( -0.023 -0.655 0.223) 0.692 31.301 ( 2.424 -0.289 0.703) 2.541 31.577 ( -4.679 -2.295 0.303) 5.220 31.651 ( 0.711 -3.968 -0.283) 4.041 32.177 ( 0.197 -1.438 1.516) 2.099 32.347 ( 0.542 -5.212 -0.752) 5.293 32.523 ( 2.113 -2.843 3.023) 4.657 32.613 ( -0.826 -5.883 -5.626) 8.181 36.890 ( 0.139 -0.403 -0.017) 0.427 36.922 ( 0.063 -1.740 0.006) 1.742 37.438 ( 2.407 -1.550 -0.640) 2.933 37.766 ( 2.637 -4.738 -1.968) 5.768 39.348 ( -0.002 3.125 -0.032) 3.125 39.597 ( -0.346 0.693 -0.541) 0.945 40.248 ( -0.972 15.027 -1.372) 15.120 40.911 ( -0.341 -10.427 2.709) 10.779 ======================= Grid point 10 (7/55) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 25.042 0.000) 25.042 1.168 ( 0.000 22.170 0.000) 22.170 1.628 ( 0.000 5.903 0.000) 5.903 1.639 ( 0.000 5.455 0.000) 5.455 1.743 ( 0.000 10.989 0.000) 10.989 1.816 ( 0.000 9.611 0.000) 9.611 1.845 ( 0.000 0.137 0.000) 0.137 1.988 ( 0.000 10.608 0.000) 10.608 2.078 ( 0.000 11.400 0.000) 11.400 2.286 ( 0.000 3.454 0.000) 3.454 2.308 ( 0.000 5.380 0.000) 5.380 2.340 ( 0.000 3.551 0.000) 3.551 2.411 ( 0.000 3.710 0.000) 3.710 2.555 ( 0.000 -4.191 0.000) 4.191 2.573 ( 0.000 3.699 0.000) 3.699 2.622 ( 0.000 -0.264 0.000) 0.264 2.679 ( 0.000 2.109 0.000) 2.109 2.765 ( 0.000 0.941 0.000) 0.941 2.775 ( 0.000 -2.285 0.000) 2.285 2.781 ( 0.000 1.256 0.000) 1.256 2.848 ( 0.000 -3.033 0.000) 3.033 2.876 ( 0.000 -1.027 0.000) 1.027 2.931 ( 0.000 1.123 0.000) 1.123 3.009 ( 0.000 1.981 0.000) 1.981 3.136 ( 0.000 -0.912 0.000) 0.912 3.202 ( 0.000 0.206 0.000) 0.206 3.229 ( 0.000 2.047 0.000) 2.047 3.331 ( 0.000 6.696 0.000) 6.696 3.399 ( 0.000 -0.366 0.000) 0.366 3.487 ( 0.000 -2.167 0.000) 2.167 3.611 ( 0.000 3.112 0.000) 3.112 3.731 ( 0.000 4.530 0.000) 4.530 3.885 ( 0.000 -0.451 0.000) 0.451 3.889 ( 0.000 -2.474 0.000) 2.474 4.058 ( 0.000 -1.067 0.000) 1.067 4.089 ( 0.000 3.355 0.000) 3.355 4.117 ( 0.000 5.253 0.000) 5.253 4.246 ( 0.000 1.282 0.000) 1.282 4.302 ( 0.000 3.999 0.000) 3.999 4.683 ( 0.000 1.551 0.000) 1.551 4.768 ( 0.000 6.485 0.000) 6.485 4.865 ( 0.000 -4.885 0.000) 4.885 5.019 ( 0.000 6.040 0.000) 6.040 5.082 ( 0.000 2.053 0.000) 2.053 5.152 ( 0.000 12.319 0.000) 12.319 5.215 ( 0.000 1.476 0.000) 1.476 5.312 ( 0.000 8.182 0.000) 8.182 5.544 ( 0.000 -1.112 0.000) 1.112 5.618 ( 0.000 -5.990 0.000) 5.990 5.706 ( 0.000 7.364 0.000) 7.364 5.890 ( 0.000 10.504 0.000) 10.504 6.014 ( 0.000 -3.697 0.000) 3.697 6.057 ( 0.000 -6.467 0.000) 6.467 6.114 ( 0.000 -3.500 0.000) 3.500 6.128 ( 0.000 1.181 0.000) 1.181 6.357 ( 0.000 -2.267 0.000) 2.267 6.443 ( 0.000 -4.773 0.000) 4.773 6.628 ( 0.000 -4.468 0.000) 4.468 7.004 ( 0.000 -14.414 0.000) 14.414 7.088 ( 0.000 -13.502 0.000) 13.502 7.266 ( 0.000 1.633 0.000) 1.633 7.582 ( 0.000 -9.643 0.000) 9.643 7.614 ( 0.000 9.929 0.000) 9.929 7.732 ( 0.000 -5.355 0.000) 5.355 7.997 ( 0.000 -7.023 0.000) 7.023 8.186 ( 0.000 -1.740 0.000) 1.740 8.201 ( 0.000 -5.265 0.000) 5.265 8.312 ( 0.000 7.107 0.000) 7.107 8.362 ( 0.000 1.959 0.000) 1.959 8.411 ( 0.000 -3.528 0.000) 3.528 8.586 ( 0.000 4.403 0.000) 4.403 8.672 ( 0.000 -2.174 0.000) 2.174 8.987 ( 0.000 2.484 0.000) 2.484 9.061 ( 0.000 -0.562 0.000) 0.562 9.228 ( 0.000 1.619 0.000) 1.619 9.261 ( 0.000 -1.849 0.000) 1.849 9.689 ( 0.000 4.227 0.000) 4.227 9.976 ( 0.000 2.818 0.000) 2.818 10.031 ( 0.000 0.567 0.000) 0.567 10.140 ( 0.000 -2.905 0.000) 2.905 10.356 ( 0.000 -1.466 0.000) 1.466 10.475 ( 0.000 -2.253 0.000) 2.253 10.541 ( 0.000 3.487 0.000) 3.487 10.566 ( 0.000 -0.473 0.000) 0.473 10.567 ( 0.000 6.512 0.000) 6.512 10.702 ( 0.000 -7.746 0.000) 7.746 10.853 ( 0.000 2.291 0.000) 2.291 11.092 ( 0.000 2.862 0.000) 2.862 11.201 ( 0.000 -0.346 0.000) 0.346 11.212 ( 0.000 -3.592 0.000) 3.592 11.318 ( 0.000 -6.457 0.000) 6.457 11.463 ( 0.000 -6.378 0.000) 6.378 11.705 ( 0.000 5.624 0.000) 5.624 11.917 ( 0.000 4.766 0.000) 4.766 12.138 ( 0.000 -7.204 0.000) 7.204 12.338 ( 0.000 -4.394 0.000) 4.394 13.070 ( 0.000 -0.292 0.000) 0.292 13.285 ( 0.000 -6.929 0.000) 6.929 13.324 ( 0.000 1.032 0.000) 1.032 13.607 ( 0.000 -3.994 0.000) 3.994 13.660 ( 0.000 6.370 0.000) 6.370 13.908 ( 0.000 1.896 0.000) 1.896 14.154 ( 0.000 2.717 0.000) 2.717 14.411 ( 0.000 2.811 0.000) 2.811 14.554 ( 0.000 -6.114 0.000) 6.114 14.591 ( 0.000 -2.554 0.000) 2.554 14.724 ( 0.000 -9.537 0.000) 9.537 14.758 ( 0.000 0.049 0.000) 0.049 15.356 ( 0.000 1.842 0.000) 1.842 15.393 ( 0.000 -1.619 0.000) 1.619 15.660 ( 0.000 3.735 0.000) 3.735 15.749 ( 0.000 0.157 0.000) 0.157 16.364 ( 0.000 2.979 0.000) 2.979 16.563 ( 0.000 -0.026 0.000) 0.026 16.812 ( 0.000 -6.064 0.000) 6.064 16.919 ( 0.000 -6.923 0.000) 6.923 17.008 ( 0.000 4.416 0.000) 4.416 17.133 ( 0.000 2.247 0.000) 2.247 17.142 ( 0.000 5.917 0.000) 5.917 17.220 ( 0.000 -1.201 0.000) 1.201 17.568 ( 0.000 -4.541 0.000) 4.541 17.625 ( 0.000 -2.549 0.000) 2.549 17.682 ( 0.000 -3.658 0.000) 3.658 17.702 ( 0.000 1.257 0.000) 1.257 17.774 ( 0.000 -4.152 0.000) 4.152 17.804 ( 0.000 -1.279 0.000) 1.279 17.866 ( 0.000 -1.014 0.000) 1.014 17.899 ( 0.000 -1.554 0.000) 1.554 18.319 ( 0.000 4.120 0.000) 4.120 18.383 ( 0.000 3.077 0.000) 3.077 18.700 ( 0.000 -2.089 0.000) 2.089 18.839 ( 0.000 -1.147 0.000) 1.147 19.131 ( 0.000 4.674 0.000) 4.674 19.328 ( 0.000 3.425 0.000) 3.425 19.353 ( 0.000 0.481 0.000) 0.481 19.454 ( 0.000 0.981 0.000) 0.981 19.611 ( 0.000 -2.177 0.000) 2.177 19.667 ( 0.000 -5.227 0.000) 5.227 19.760 ( 0.000 0.359 0.000) 0.359 19.857 ( 0.000 -0.943 0.000) 0.943 20.486 ( 0.000 8.537 0.000) 8.537 20.832 ( 0.000 -1.451 0.000) 1.451 20.870 ( 0.000 -2.278 0.000) 2.278 20.878 ( 0.000 1.589 0.000) 1.589 21.125 ( 0.000 -3.406 0.000) 3.406 21.273 ( 0.000 -2.673 0.000) 2.673 21.405 ( 0.000 -10.856 0.000) 10.856 21.659 ( 0.000 -7.277 0.000) 7.277 22.684 ( 0.000 -2.023 0.000) 2.023 22.689 ( 0.000 -2.567 0.000) 2.567 22.744 ( 0.000 -3.123 0.000) 3.123 22.754 ( 0.000 -2.049 0.000) 2.049 23.104 ( 0.000 2.237 0.000) 2.237 23.318 ( 0.000 -0.470 0.000) 0.470 23.319 ( 0.000 -0.423 0.000) 0.423 23.387 ( 0.000 -1.080 0.000) 1.080 23.989 ( 0.000 -1.806 0.000) 1.806 24.222 ( 0.000 -1.198 0.000) 1.198 24.289 ( 0.000 -3.322 0.000) 3.322 24.406 ( 0.000 -9.623 0.000) 9.623 25.178 ( 0.000 4.377 0.000) 4.377 25.225 ( 0.000 2.086 0.000) 2.086 25.281 ( 0.000 3.316 0.000) 3.316 25.484 ( 0.000 -1.852 0.000) 1.852 26.449 ( 0.000 1.764 0.000) 1.764 26.543 ( 0.000 6.863 0.000) 6.863 26.696 ( 0.000 1.084 0.000) 1.084 26.911 ( 0.000 3.463 0.000) 3.463 27.430 ( 0.000 9.916 0.000) 9.916 27.478 ( 0.000 2.235 0.000) 2.235 27.499 ( 0.000 -3.629 0.000) 3.629 27.603 ( 0.000 -4.556 0.000) 4.556 27.864 ( 0.000 8.612 0.000) 8.612 28.133 ( 0.000 -3.680 0.000) 3.680 28.149 ( 0.000 5.523 0.000) 5.523 28.296 ( 0.000 -3.405 0.000) 3.405 28.414 ( 0.000 6.470 0.000) 6.470 28.572 ( 0.000 1.687 0.000) 1.687 29.207 ( 0.000 15.787 0.000) 15.787 29.365 ( 0.000 9.348 0.000) 9.348 29.405 ( 0.000 2.783 0.000) 2.783 29.751 ( 0.000 -7.639 0.000) 7.639 30.094 ( 0.000 2.940 0.000) 2.940 30.648 ( 0.000 -0.538 0.000) 0.538 30.680 ( 0.000 3.017 0.000) 3.017 30.763 ( 0.000 1.397 0.000) 1.397 30.820 ( 0.000 -1.982 0.000) 1.982 30.862 ( 0.000 8.421 0.000) 8.421 31.178 ( 0.000 3.689 0.000) 3.689 31.500 ( 0.000 -3.625 0.000) 3.625 31.516 ( 0.000 -4.784 0.000) 4.784 31.634 ( 0.000 -10.885 0.000) 10.885 32.015 ( 0.000 -0.881 0.000) 0.881 32.204 ( 0.000 2.097 0.000) 2.097 32.302 ( 0.000 -6.908 0.000) 6.908 32.535 ( 0.000 -3.973 0.000) 3.973 36.868 ( 0.000 -1.024 0.000) 1.024 36.876 ( 0.000 -2.060 0.000) 2.060 37.320 ( 0.000 -1.567 0.000) 1.567 37.404 ( 0.000 -1.723 0.000) 1.723 39.437 ( 0.000 4.624 0.000) 4.624 39.595 ( 0.000 -0.275 0.000) 0.275 40.544 ( 0.000 8.506 0.000) 8.506 40.871 ( 0.000 1.172 0.000) 1.172 ======================= Grid point 11 (8/55) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 9.779 22.124 -2.428) 24.310 1.274 ( 6.655 19.928 0.683) 21.021 1.570 ( -3.258 4.581 5.194) 7.654 1.620 ( -3.521 5.217 -1.264) 6.420 1.755 ( 1.449 5.152 2.738) 6.012 1.779 ( -3.445 3.102 1.194) 4.787 1.894 ( 3.683 5.111 -3.757) 7.334 2.020 ( 3.520 8.680 -3.299) 9.931 2.146 ( 3.235 3.761 0.298) 4.970 2.201 ( -0.621 10.951 1.075) 11.021 2.253 ( -5.337 1.856 3.072) 6.432 2.349 ( 0.062 2.271 -0.936) 2.457 2.428 ( -1.676 0.855 -0.863) 2.070 2.526 ( -4.795 3.473 0.087) 5.921 2.546 ( -0.333 -0.548 -0.673) 0.930 2.642 ( 1.602 -1.083 0.886) 2.126 2.689 ( -1.571 2.768 -2.017) 3.768 2.748 ( 1.302 2.730 0.704) 3.105 2.764 ( -1.829 -3.497 0.347) 3.962 2.809 ( 1.275 -0.520 0.171) 1.388 2.824 ( 0.873 0.602 0.796) 1.326 2.894 ( 0.672 -2.043 -0.677) 2.255 2.969 ( 2.024 3.721 3.766) 5.667 3.035 ( 2.308 1.532 -1.411) 3.109 3.107 ( -1.788 0.701 0.470) 1.977 3.164 ( -2.655 -0.657 -1.341) 3.046 3.211 ( -0.241 1.731 -0.845) 1.941 3.344 ( 0.805 3.037 -1.723) 3.583 3.436 ( 1.368 1.897 -1.049) 2.563 3.524 ( 2.877 -2.203 0.790) 3.709 3.585 ( -1.457 3.103 -1.447) 3.721 3.770 ( 2.879 2.240 -0.951) 3.770 3.873 ( 0.425 -1.948 2.193) 2.964 3.927 ( 0.811 -1.354 2.766) 3.185 4.002 ( -3.153 0.340 -1.049) 3.340 4.075 ( 0.009 2.956 -2.055) 3.600 4.154 ( 0.321 2.828 0.436) 2.879 4.218 ( 1.975 3.710 -3.818) 5.679 4.368 ( 4.644 4.866 1.727) 6.945 4.625 ( -9.132 4.396 -7.440) 12.572 4.724 ( 0.690 2.167 2.299) 3.234 4.812 ( -3.832 -0.841 5.596) 6.834 4.933 ( -5.236 4.748 -2.967) 7.666 5.059 ( -3.321 0.673 3.284) 4.719 5.125 ( -3.252 10.301 2.168) 11.018 5.203 ( -0.952 -0.758 -4.246) 4.417 5.400 ( 7.123 11.777 -1.514) 13.846 5.567 ( -4.156 -4.064 -0.172) 5.815 5.595 ( 3.870 0.291 2.922) 4.858 5.701 ( -1.067 6.206 0.051) 6.298 5.860 ( -0.624 9.106 -1.818) 9.307 5.995 ( -4.288 -1.212 1.293) 4.640 6.069 ( 1.098 4.107 2.757) 5.067 6.093 ( 1.376 -5.005 0.423) 5.208 6.197 ( 4.897 -2.938 0.618) 5.744 6.390 ( 3.105 -4.002 -0.825) 5.132 6.535 ( 2.174 -4.327 1.838) 5.179 6.625 ( 0.209 -5.757 0.649) 5.798 6.970 ( -4.928 -11.841 0.878) 12.855 7.044 ( 0.500 -10.324 -0.924) 10.377 7.316 ( 3.241 -0.548 1.848) 3.771 7.491 ( -4.959 1.629 -1.634) 5.470 7.662 ( 3.657 -7.440 -0.613) 8.313 7.746 ( -0.358 -0.767 -0.777) 1.149 7.944 ( -1.972 -3.961 -0.835) 4.503 8.133 ( -7.480 -3.127 1.649) 8.274 8.212 ( -4.004 3.597 3.118) 6.220 8.231 ( -0.276 -1.099 -0.972) 1.493 8.353 ( 2.056 2.977 -2.258) 4.265 8.473 ( 3.052 -2.863 0.665) 4.237 8.581 ( -3.817 -0.879 1.720) 4.278 8.657 ( 0.362 -5.556 -0.566) 5.596 8.959 ( -2.250 2.709 1.171) 3.711 9.046 ( 0.243 1.017 -0.898) 1.379 9.121 ( -1.165 0.921 0.149) 1.493 9.347 ( -3.011 0.882 -0.408) 3.164 9.762 ( 7.473 2.757 -2.905) 8.478 9.968 ( 0.774 -0.305 -0.780) 1.140 10.039 ( 0.373 -0.190 0.565) 0.703 10.222 ( 4.531 -4.649 1.557) 6.676 10.299 ( -5.424 2.528 -0.766) 6.033 10.377 ( 0.477 -1.875 3.254) 3.786 10.488 ( -3.679 0.669 0.119) 3.741 10.575 ( -1.277 -1.233 -2.742) 3.266 10.698 ( 2.950 3.624 -0.597) 4.711 10.814 ( 8.753 -1.303 2.036) 9.081 10.885 ( 4.228 -0.888 -0.759) 4.386 11.043 ( -4.109 1.628 -1.395) 4.635 11.146 ( -3.902 -0.173 -2.410) 4.589 11.288 ( 3.570 2.455 1.596) 4.617 11.316 ( 4.603 -5.542 1.887) 7.447 11.459 ( -1.221 -5.887 -3.052) 6.742 11.701 ( -0.986 3.727 3.231) 5.030 11.897 ( 0.700 3.942 -1.679) 4.341 12.162 ( 0.042 -3.479 -0.733) 3.555 12.300 ( -4.422 -2.000 0.366) 4.868 13.012 ( -4.882 1.311 -0.856) 5.127 13.310 ( 2.120 -6.950 0.847) 7.316 13.395 ( 6.415 -1.295 -0.638) 6.576 13.576 ( -6.272 3.259 4.300) 8.273 13.610 ( 0.887 -2.177 -1.337) 2.704 13.894 ( 5.277 0.211 -6.438) 8.327 14.167 ( -9.997 -6.533 6.284) 13.495 14.335 ( -7.846 -1.972 -0.279) 8.095 14.473 ( 1.029 0.901 -0.482) 1.451 14.612 ( 1.061 0.242 -2.636) 2.851 14.734 ( -0.092 -1.257 -0.547) 1.374 14.832 ( 4.872 -5.566 0.512) 7.415 15.383 ( 2.762 2.281 0.798) 3.669 15.448 ( 3.567 -1.141 2.310) 4.400 15.610 ( -3.129 3.969 -0.879) 5.130 15.781 ( 2.049 -0.552 -0.976) 2.336 16.392 ( 2.458 2.340 0.178) 3.399 16.563 ( -0.039 -0.389 0.282) 0.482 16.761 ( -4.815 -5.146 1.033) 7.123 16.828 ( -7.030 -4.754 -0.310) 8.493 17.019 ( 1.343 -0.471 -0.947) 1.710 17.084 ( -1.351 0.502 -1.148) 1.843 17.219 ( 1.934 -0.414 -0.536) 2.049 17.246 ( 1.576 2.247 1.053) 2.940 17.541 ( 0.406 -3.078 0.667) 3.176 17.568 ( -0.942 -4.534 -0.491) 4.656 17.719 ( 1.712 1.898 -0.703) 2.651 17.768 ( 4.549 1.215 0.627) 4.750 17.792 ( 1.374 1.135 0.047) 1.783 17.849 ( 2.548 0.942 1.006) 2.897 17.936 ( 8.654 -3.041 -1.692) 9.327 18.045 ( 9.485 -4.545 2.040) 10.714 18.271 ( -3.579 2.880 -1.142) 4.734 18.338 ( -4.259 2.514 0.671) 4.991 18.655 ( -5.378 -3.390 1.734) 6.589 18.776 ( -6.011 -3.235 -1.111) 6.916 19.125 ( 0.028 6.777 1.004) 6.852 19.266 ( -3.016 4.565 -0.436) 5.489 19.376 ( 0.766 1.635 -0.527) 1.881 19.483 ( 1.781 0.666 0.444) 1.953 19.639 ( 1.776 -3.790 -0.309) 4.197 19.682 ( 1.472 -3.850 -0.349) 4.137 19.769 ( 1.564 -0.254 -0.071) 1.586 19.871 ( 0.551 -2.487 0.062) 2.548 20.504 ( 1.524 8.628 0.324) 8.768 20.838 ( 0.994 -1.127 -1.138) 1.885 20.889 ( 1.990 -1.491 0.136) 2.490 20.900 ( 1.838 0.584 0.318) 1.955 21.108 ( -1.743 -3.139 0.165) 3.594 21.243 ( -3.007 -2.873 1.295) 4.355 21.423 ( 1.673 -10.284 -1.095) 10.476 21.672 ( 1.143 -7.512 0.031) 7.598 22.658 ( -0.233 -1.729 -0.430) 1.797 22.719 ( 0.014 -2.482 2.091) 3.246 22.768 ( 2.163 -3.219 -1.420) 4.130 22.807 ( 3.936 -3.570 1.475) 5.515 23.116 ( 1.419 2.034 -0.994) 2.672 23.317 ( 0.062 -0.386 0.193) 0.436 23.335 ( 1.663 -0.330 1.130) 2.037 23.403 ( 1.064 -1.913 0.662) 2.287 23.984 ( -0.215 -2.403 -1.015) 2.617 24.106 ( -6.305 1.836 -5.230) 8.395 24.280 ( -5.201 -7.347 3.966) 9.836 24.360 ( -3.634 -6.952 1.870) 8.064 25.183 ( 0.884 4.595 -1.251) 4.844 25.251 ( 2.235 2.713 0.281) 3.526 25.310 ( 1.993 3.429 1.514) 4.246 25.498 ( 0.963 -1.019 -1.474) 2.034 26.418 ( -1.929 3.422 1.091) 4.077 26.533 ( 0.105 5.954 -0.942) 6.029 26.738 ( 3.139 -0.523 -2.307) 3.930 27.007 ( 6.214 -3.595 3.024) 7.790 27.393 ( -1.906 5.205 -1.403) 5.718 27.472 ( 0.327 1.788 0.158) 1.824 27.522 ( 0.699 -0.150 2.473) 2.575 27.657 ( 3.708 -4.547 0.257) 5.873 27.863 ( -0.062 6.578 1.781) 6.815 28.065 ( -5.845 2.864 -1.608) 6.705 28.107 ( -2.122 -2.419 2.302) 3.956 28.242 ( -4.154 -4.943 0.335) 6.465 28.424 ( 0.932 7.224 -9.033) 11.604 28.694 ( 9.231 4.811 1.797) 10.564 29.239 ( 2.989 15.092 2.973) 15.670 29.401 ( 1.547 5.332 0.507) 5.575 29.452 ( 6.538 8.661 0.241) 10.854 29.759 ( 1.810 -7.657 -5.132) 9.394 30.058 ( -4.657 1.556 3.411) 5.979 30.482 ( -18.141 4.032 11.540) 21.875 30.662 ( -2.321 0.607 -4.828) 5.392 30.720 ( -1.622 6.320 3.422) 7.368 30.835 ( -1.172 5.769 -1.758) 6.143 30.878 ( 4.169 2.262 -13.195) 14.021 31.193 ( 0.270 2.512 0.436) 2.564 31.304 ( -6.729 1.734 -1.353) 7.079 31.503 ( -0.254 -5.678 -1.455) 5.867 31.622 ( -3.185 -6.888 2.669) 8.045 32.108 ( 3.857 -2.148 1.397) 4.631 32.238 ( 2.723 -1.501 -2.552) 4.023 32.331 ( 2.871 -7.210 1.937) 7.999 32.534 ( 0.019 -4.882 -2.537) 5.502 36.872 ( 0.442 -0.925 0.093) 1.029 36.881 ( 0.415 -1.805 -0.309) 1.878 37.346 ( 2.675 -1.826 -1.025) 3.397 37.513 ( 8.187 -5.816 0.658) 10.064 39.433 ( -0.240 4.698 -0.220) 4.709 39.601 ( 0.553 -0.341 -0.811) 1.039 40.540 ( -0.325 9.751 -0.008) 9.756 40.826 ( -4.065 0.100 1.703) 4.408 ======================= Grid point 12 (9/55) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 14.498 15.140 -0.817) 20.978 1.348 ( 1.612 11.571 -0.398) 11.689 1.522 ( -2.872 4.847 -0.405) 5.649 1.539 ( -5.310 7.211 2.788) 9.379 1.634 ( -8.179 7.520 -0.564) 11.125 1.884 ( 6.732 2.600 0.597) 7.241 1.969 ( 3.221 3.458 0.894) 4.809 2.023 ( -1.139 3.530 -1.780) 4.114 2.143 ( 0.734 1.709 -1.376) 2.313 2.194 ( 0.838 -0.549 2.240) 2.454 2.293 ( -4.197 1.310 2.418) 5.018 2.325 ( -1.492 3.937 -0.506) 4.241 2.368 ( 0.472 1.975 0.968) 2.249 2.409 ( -1.693 1.337 -2.055) 2.979 2.543 ( -2.650 0.289 -2.628) 3.743 2.618 ( -0.376 -1.026 0.731) 1.315 2.681 ( -0.896 2.782 -0.308) 2.939 2.728 ( 0.487 -2.269 0.847) 2.470 2.748 ( -1.412 0.244 -1.517) 2.087 2.847 ( 1.702 0.210 1.450) 2.245 2.876 ( 0.996 0.304 0.208) 1.062 2.926 ( 2.921 3.547 1.978) 5.002 3.014 ( 0.707 0.041 0.643) 0.957 3.052 ( -2.202 -2.325 -0.967) 3.345 3.071 ( 1.915 0.505 -0.520) 2.048 3.170 ( -2.077 3.514 -0.269) 4.091 3.229 ( 6.800 6.504 0.775) 9.441 3.339 ( -1.124 -0.432 -0.649) 1.368 3.405 ( -3.478 5.550 -1.532) 6.726 3.544 ( -1.770 0.054 -0.499) 1.840 3.575 ( 1.475 -2.799 0.447) 3.195 3.793 ( 0.376 -0.419 -1.692) 1.783 3.896 ( -0.125 -0.049 1.213) 1.221 3.938 ( 0.225 -0.989 -1.118) 1.509 3.962 ( -0.637 -1.518 1.974) 2.571 4.098 ( 1.815 1.145 -0.964) 2.352 4.160 ( 1.332 2.493 2.525) 3.791 4.244 ( 0.138 6.132 -3.666) 7.146 4.410 ( -2.479 6.412 -2.828) 7.433 4.529 ( 4.409 2.782 -1.459) 5.414 4.657 ( -5.989 4.437 3.665) 8.305 4.783 ( 0.084 2.901 -0.592) 2.962 4.905 ( -0.882 3.991 -1.795) 4.464 5.025 ( -0.560 2.747 4.254) 5.095 5.068 ( -2.870 -0.050 2.119) 3.568 5.190 ( 4.697 6.214 -2.529) 8.190 5.399 ( -9.408 3.416 -1.231) 10.084 5.548 ( 5.134 4.078 -1.529) 6.733 5.648 ( -1.386 2.726 3.200) 4.426 5.715 ( 2.246 8.682 -0.095) 8.968 5.873 ( 2.871 5.062 -1.417) 5.989 5.935 ( -2.318 -1.139 1.089) 2.803 6.088 ( -0.625 -2.738 0.401) 2.837 6.114 ( -0.862 4.134 0.383) 4.241 6.275 ( 3.022 -1.949 0.059) 3.596 6.393 ( -0.910 -1.678 0.014) 1.909 6.524 ( -3.898 -4.873 1.161) 6.348 6.639 ( 2.608 0.907 0.262) 2.773 6.925 ( -0.897 -9.973 -0.250) 10.016 7.078 ( 2.138 -12.067 -0.016) 12.255 7.380 ( 1.540 -2.020 1.070) 2.756 7.436 ( 0.269 0.476 -0.713) 0.899 7.676 ( -1.846 -1.532 -1.277) 2.717 7.742 ( 1.003 -5.012 0.437) 5.130 7.904 ( -4.260 -1.748 -0.698) 4.657 8.013 ( -1.030 -4.379 0.672) 4.548 8.172 ( -0.857 3.458 0.121) 3.564 8.247 ( 0.198 -1.078 0.982) 1.472 8.392 ( 2.756 -5.114 -0.733) 5.855 8.481 ( -3.767 -3.987 -0.084) 5.486 8.538 ( 2.805 -2.301 1.693) 4.003 8.670 ( 0.075 -11.093 0.260) 11.096 8.916 ( -3.253 5.702 0.048) 6.565 9.020 ( -1.888 -2.017 -0.722) 2.855 9.165 ( 3.804 5.172 -0.203) 6.424 9.241 ( -4.239 4.151 -0.472) 5.951 9.880 ( 4.221 2.726 -1.605) 5.274 10.009 ( 2.711 -1.708 -0.044) 3.205 10.045 ( -0.408 -2.469 0.930) 2.669 10.220 ( -1.560 -2.631 -1.044) 3.232 10.300 ( 1.935 -3.342 1.855) 4.285 10.415 ( -1.810 0.777 -0.385) 2.007 10.433 ( -1.047 -2.182 1.432) 2.812 10.550 ( 3.080 -1.654 0.214) 3.503 10.691 ( -1.504 11.855 1.243) 12.014 10.848 ( -4.678 -1.799 -3.652) 6.201 10.938 ( -0.194 -1.765 -2.252) 2.868 11.051 ( 3.021 0.777 0.221) 3.128 11.063 ( -0.756 3.721 1.846) 4.222 11.340 ( 0.606 -4.992 -0.442) 5.048 11.426 ( 0.494 -3.159 -0.578) 3.249 11.475 ( 6.748 -2.711 -1.013) 7.342 11.706 ( -0.148 6.211 4.985) 7.966 11.950 ( 4.447 2.968 -2.181) 5.775 12.094 ( -4.415 3.353 -3.618) 6.620 12.191 ( -5.725 0.535 2.759) 6.377 12.933 ( -2.036 -0.057 -0.129) 2.041 13.333 ( -0.286 -6.172 2.189) 6.555 13.503 ( 1.629 0.839 -3.540) 3.986 13.562 ( 4.265 -5.784 4.671) 8.571 13.671 ( 6.805 -4.583 -5.168) 9.696 13.872 ( -13.814 -6.282 3.923) 15.674 14.039 ( 5.701 -1.538 -1.867) 6.193 14.190 ( -6.818 -4.859 0.477) 8.386 14.510 ( 3.038 3.175 -0.558) 4.430 14.628 ( -0.450 2.193 -1.505) 2.697 14.679 ( -3.503 0.488 0.690) 3.603 14.900 ( 1.361 -5.082 0.139) 5.263 15.455 ( 3.761 3.068 -1.733) 5.153 15.493 ( -0.763 1.242 3.138) 3.460 15.594 ( 1.376 -0.008 0.234) 1.396 15.787 ( -0.622 0.138 -0.863) 1.072 16.451 ( 3.111 1.320 0.189) 3.385 16.573 ( 1.018 -1.649 0.426) 1.984 16.650 ( -5.624 -2.833 -0.182) 6.300 16.705 ( -4.114 -3.924 0.129) 5.687 17.040 ( 0.236 -0.310 -0.482) 0.620 17.091 ( 3.519 -4.207 -1.229) 5.621 17.176 ( -4.780 -4.286 1.333) 6.557 17.275 ( 0.792 -3.743 -0.502) 3.859 17.576 ( 2.320 1.878 -1.119) 3.187 17.630 ( 4.219 -0.159 1.528) 4.490 17.732 ( -0.974 1.366 -0.462) 1.740 17.791 ( 0.292 1.496 0.063) 1.525 17.879 ( 5.419 3.751 0.052) 6.591 17.946 ( 6.030 2.827 -0.141) 6.661 18.064 ( 0.753 1.139 -0.238) 1.386 18.076 ( -5.039 3.579 0.712) 6.221 18.255 ( -0.978 -0.024 0.453) 1.079 18.348 ( 10.223 -5.334 -1.495) 11.627 18.521 ( -8.018 -5.583 2.034) 9.979 18.616 ( -8.210 -6.067 -0.645) 10.229 19.141 ( 0.567 7.274 0.772) 7.337 19.246 ( 0.468 7.020 0.466) 7.051 19.365 ( -0.981 2.947 -1.121) 3.302 19.516 ( 1.269 0.103 0.187) 1.286 19.668 ( 0.895 -4.079 0.273) 4.185 19.689 ( -0.250 -3.376 -0.657) 3.448 19.821 ( 2.817 -2.790 -0.230) 3.971 19.865 ( -1.200 -2.983 0.190) 3.221 20.534 ( 0.995 8.681 0.216) 8.741 20.856 ( 0.979 -0.584 -0.951) 1.485 20.932 ( 1.026 0.354 0.756) 1.323 20.949 ( 3.126 -1.410 0.106) 3.431 21.061 ( -2.609 -4.179 -0.306) 4.936 21.190 ( -2.171 -1.464 0.836) 2.749 21.446 ( 0.873 -10.359 -0.559) 10.410 21.694 ( 0.743 -7.905 0.060) 7.940 22.660 ( 0.201 -1.414 0.093) 1.431 22.726 ( 0.021 -2.526 0.740) 2.632 22.793 ( 0.801 -3.395 -0.882) 3.598 22.867 ( 1.320 -3.308 0.710) 3.632 23.141 ( 1.177 1.881 -0.797) 2.358 23.323 ( 0.243 -0.105 0.287) 0.391 23.390 ( 2.209 0.135 1.667) 2.771 23.421 ( 0.417 -3.204 0.223) 3.238 23.971 ( -0.611 -0.469 -0.513) 0.925 23.995 ( -2.342 -4.882 -3.701) 6.559 24.173 ( -4.208 -3.288 1.553) 5.562 24.305 ( -2.503 -6.873 1.726) 7.515 25.194 ( 0.532 4.872 -0.833) 4.971 25.304 ( 2.411 4.264 0.958) 4.991 25.342 ( 0.162 3.263 0.227) 3.275 25.497 ( -0.077 1.983 -0.836) 2.154 26.404 ( -0.174 3.469 0.402) 3.497 26.543 ( 0.737 5.712 -0.337) 5.769 26.760 ( 0.273 -4.338 -1.354) 4.553 27.112 ( 2.636 -8.556 1.697) 9.112 27.363 ( -0.577 2.613 -0.736) 2.775 27.505 ( 2.425 0.256 -0.540) 2.498 27.532 ( -0.833 -0.754 2.296) 2.556 27.705 ( 0.838 -2.440 0.559) 2.640 27.871 ( -0.377 2.135 -0.580) 2.244 27.967 ( -2.165 -0.210 -0.031) 2.175 28.118 ( 1.186 -2.308 5.093) 5.716 28.168 ( -2.543 -5.451 -0.904) 6.082 28.359 ( -1.976 9.781 -7.735) 12.626 28.853 ( 4.631 8.284 0.804) 9.524 29.307 ( 1.433 10.981 2.072) 11.266 29.489 ( 5.034 9.604 1.962) 11.019 29.590 ( 6.278 9.517 -0.845) 11.433 29.791 ( 5.535 -5.919 -6.836) 10.602 29.961 ( -4.606 0.002 2.517) 5.249 30.111 ( -20.099 5.900 5.630) 21.691 30.585 ( -1.248 11.715 -1.635) 11.894 30.727 ( -0.247 6.845 -2.668) 7.350 30.843 ( 2.209 -0.862 1.488) 2.800 30.881 ( 0.643 5.587 -2.780) 6.274 31.161 ( -2.374 -0.800 -1.270) 2.809 31.285 ( 1.230 -1.605 0.277) 2.041 31.510 ( 0.689 -3.834 2.302) 4.525 31.566 ( -2.273 -4.159 -0.824) 4.811 32.153 ( 0.778 -0.675 0.826) 1.321 32.259 ( 0.573 -3.481 -1.085) 3.691 32.414 ( 3.729 -7.276 2.215) 8.471 32.499 ( -2.158 -5.337 -2.931) 6.460 36.881 ( 0.318 -0.568 0.101) 0.659 36.886 ( 0.169 -1.634 -0.176) 1.652 37.391 ( 1.712 -2.763 -0.602) 3.305 37.640 ( 3.512 -7.620 0.101) 8.391 39.429 ( -0.061 4.677 -0.092) 4.678 39.604 ( 0.116 0.001 -0.495) 0.508 40.536 ( 0.162 12.457 -0.772) 12.482 40.764 ( -2.345 -3.287 1.606) 4.346 ======================= Grid point 15 (10/55) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.000 17.752 0.000) 17.752 1.503 ( 0.000 14.602 0.000) 14.602 1.661 ( 0.000 -1.840 0.000) 1.840 1.787 ( 0.000 5.163 0.000) 5.163 1.804 ( 0.000 -0.299 0.000) 0.299 1.916 ( 0.000 11.886 0.000) 11.886 2.024 ( 0.000 -4.675 0.000) 4.675 2.042 ( 0.000 9.489 0.000) 9.489 2.191 ( 0.000 2.025 0.000) 2.025 2.320 ( 0.000 1.935 0.000) 1.935 2.330 ( 0.000 -6.638 0.000) 6.638 2.419 ( 0.000 -0.737 0.000) 0.737 2.445 ( 0.000 6.128 0.000) 6.128 2.589 ( 0.000 -0.803 0.000) 0.803 2.623 ( 0.000 0.535 0.000) 0.535 2.671 ( 0.000 2.617 0.000) 2.617 2.709 ( 0.000 1.252 0.000) 1.252 2.721 ( 0.000 -1.884 0.000) 1.884 2.778 ( 0.000 0.097 0.000) 0.097 2.781 ( 0.000 0.280 0.000) 0.280 2.826 ( 0.000 -1.707 0.000) 1.707 2.842 ( 0.000 -1.530 0.000) 1.530 3.050 ( 0.000 6.781 0.000) 6.781 3.064 ( 0.000 2.786 0.000) 2.786 3.178 ( 0.000 8.960 0.000) 8.960 3.209 ( 0.000 0.898 0.000) 0.898 3.322 ( 0.000 7.172 0.000) 7.172 3.366 ( 0.000 -2.044 0.000) 2.044 3.435 ( 0.000 -0.630 0.000) 0.630 3.480 ( 0.000 4.649 0.000) 4.649 3.661 ( 0.000 1.508 0.000) 1.508 3.761 ( 0.000 -2.040 0.000) 2.040 3.869 ( 0.000 0.620 0.000) 0.620 3.889 ( 0.000 0.893 0.000) 0.893 4.061 ( 0.000 2.070 0.000) 2.070 4.214 ( 0.000 -2.048 0.000) 2.048 4.226 ( 0.000 9.446 0.000) 9.446 4.260 ( 0.000 6.541 0.000) 6.541 4.382 ( 0.000 3.662 0.000) 3.662 4.664 ( 0.000 -7.174 0.000) 7.174 4.788 ( 0.000 0.220 0.000) 0.220 4.840 ( 0.000 0.916 0.000) 0.916 5.095 ( 0.000 0.941 0.000) 0.941 5.152 ( 0.000 5.901 0.000) 5.901 5.204 ( 0.000 -3.375 0.000) 3.375 5.256 ( 0.000 0.932 0.000) 0.932 5.498 ( 0.000 6.113 0.000) 6.113 5.517 ( 0.000 -0.961 0.000) 0.961 5.604 ( 0.000 4.940 0.000) 4.940 5.813 ( 0.000 0.578 0.000) 0.578 5.955 ( 0.000 0.452 0.000) 0.452 5.979 ( 0.000 1.076 0.000) 1.076 6.047 ( 0.000 -1.502 0.000) 1.502 6.053 ( 0.000 3.266 0.000) 3.266 6.147 ( 0.000 0.557 0.000) 0.557 6.343 ( 0.000 -5.630 0.000) 5.630 6.348 ( 0.000 2.078 0.000) 2.078 6.554 ( 0.000 -2.609 0.000) 2.609 6.686 ( 0.000 -15.719 0.000) 15.719 6.782 ( 0.000 -15.474 0.000) 15.474 7.301 ( 0.000 1.763 0.000) 1.763 7.427 ( 0.000 -6.262 0.000) 6.262 7.701 ( 0.000 0.477 0.000) 0.477 7.742 ( 0.000 1.070 0.000) 1.070 7.921 ( 0.000 1.788 0.000) 1.788 8.112 ( 0.000 -4.735 0.000) 4.735 8.142 ( 0.000 -0.209 0.000) 0.209 8.304 ( 0.000 -6.114 0.000) 6.114 8.413 ( 0.000 2.411 0.000) 2.411 8.438 ( 0.000 3.329 0.000) 3.329 8.622 ( 0.000 -1.574 0.000) 1.574 8.632 ( 0.000 0.433 0.000) 0.433 9.051 ( 0.000 4.219 0.000) 4.219 9.082 ( 0.000 3.125 0.000) 3.125 9.219 ( 0.000 -2.935 0.000) 2.935 9.235 ( 0.000 -1.636 0.000) 1.636 9.776 ( 0.000 4.528 0.000) 4.528 10.006 ( 0.000 -4.953 0.000) 4.953 10.031 ( 0.000 3.183 0.000) 3.183 10.093 ( 0.000 -0.439 0.000) 0.439 10.369 ( 0.000 2.459 0.000) 2.459 10.465 ( 0.000 0.728 0.000) 0.728 10.511 ( 0.000 -4.700 0.000) 4.700 10.535 ( 0.000 -2.193 0.000) 2.193 10.627 ( 0.000 0.737 0.000) 0.737 10.713 ( 0.000 3.930 0.000) 3.930 10.869 ( 0.000 1.895 0.000) 1.895 11.061 ( 0.000 -5.961 0.000) 5.961 11.194 ( 0.000 4.028 0.000) 4.028 11.231 ( 0.000 2.624 0.000) 2.624 11.303 ( 0.000 1.409 0.000) 1.409 11.356 ( 0.000 -4.334 0.000) 4.334 11.782 ( 0.000 2.962 0.000) 2.962 11.989 ( 0.000 3.725 0.000) 3.725 11.994 ( 0.000 -7.362 0.000) 7.362 12.229 ( 0.000 -6.628 0.000) 6.628 13.084 ( 0.000 1.132 0.000) 1.132 13.168 ( 0.000 -4.687 0.000) 4.687 13.345 ( 0.000 1.687 0.000) 1.687 13.509 ( 0.000 -5.519 0.000) 5.519 13.800 ( 0.000 7.871 0.000) 7.871 13.998 ( 0.000 7.008 0.000) 7.008 14.121 ( 0.000 -5.967 0.000) 5.967 14.381 ( 0.000 -10.331 0.000) 10.331 14.464 ( 0.000 1.318 0.000) 1.318 14.542 ( 0.000 -2.328 0.000) 2.328 14.636 ( 0.000 1.021 0.000) 1.021 14.741 ( 0.000 -1.859 0.000) 1.859 15.371 ( 0.000 -0.637 0.000) 0.637 15.372 ( 0.000 0.016 0.000) 0.016 15.714 ( 0.000 1.665 0.000) 1.665 15.741 ( 0.000 -0.618 0.000) 0.618 16.454 ( 0.000 6.092 0.000) 6.092 16.579 ( 0.000 1.713 0.000) 1.713 16.701 ( 0.000 -5.136 0.000) 5.136 16.766 ( 0.000 -8.227 0.000) 8.227 17.104 ( 0.000 5.151 0.000) 5.151 17.198 ( 0.000 3.901 0.000) 3.901 17.209 ( 0.000 0.263 0.000) 0.263 17.258 ( 0.000 5.319 0.000) 5.319 17.465 ( 0.000 -4.721 0.000) 4.721 17.524 ( 0.000 -5.639 0.000) 5.639 17.582 ( 0.000 -5.271 0.000) 5.271 17.649 ( 0.000 -6.678 0.000) 6.678 17.787 ( 0.000 4.102 0.000) 4.102 17.816 ( 0.000 1.511 0.000) 1.511 17.856 ( 0.000 -0.234 0.000) 0.234 17.888 ( 0.000 -0.513 0.000) 0.513 18.408 ( 0.000 4.947 0.000) 4.947 18.470 ( 0.000 5.765 0.000) 5.765 18.624 ( 0.000 -5.245 0.000) 5.245 18.747 ( 0.000 -6.871 0.000) 6.871 19.262 ( 0.000 6.784 0.000) 6.784 19.364 ( 0.000 0.356 0.000) 0.356 19.401 ( 0.000 3.656 0.000) 3.656 19.468 ( 0.000 0.252 0.000) 0.252 19.579 ( 0.000 -1.095 0.000) 1.095 19.596 ( 0.000 -2.133 0.000) 2.133 19.774 ( 0.000 1.373 0.000) 1.373 19.842 ( 0.000 -0.892 0.000) 0.892 20.643 ( 0.000 7.082 0.000) 7.082 20.799 ( 0.000 -1.923 0.000) 1.923 20.825 ( 0.000 -1.906 0.000) 1.906 20.861 ( 0.000 -2.740 0.000) 2.740 21.072 ( 0.000 -1.923 0.000) 1.923 21.206 ( 0.000 -8.898 0.000) 8.898 21.271 ( 0.000 2.949 0.000) 2.949 21.509 ( 0.000 -7.679 0.000) 7.679 22.643 ( 0.000 -1.669 0.000) 1.669 22.660 ( 0.000 -1.081 0.000) 1.081 22.692 ( 0.000 -1.480 0.000) 1.480 22.719 ( 0.000 -1.537 0.000) 1.537 23.152 ( 0.000 2.776 0.000) 2.776 23.284 ( 0.000 -3.046 0.000) 3.046 23.298 ( 0.000 -1.097 0.000) 1.097 23.341 ( 0.000 -2.946 0.000) 2.946 23.988 ( 0.000 1.834 0.000) 1.834 24.180 ( 0.000 -7.026 0.000) 7.026 24.210 ( 0.000 0.109 0.000) 0.109 24.280 ( 0.000 -3.608 0.000) 3.608 25.257 ( 0.000 3.207 0.000) 3.207 25.270 ( 0.000 2.063 0.000) 2.063 25.353 ( 0.000 3.793 0.000) 3.793 25.454 ( 0.000 -1.388 0.000) 1.388 26.496 ( 0.000 3.172 0.000) 3.172 26.666 ( 0.000 5.926 0.000) 5.926 26.672 ( 0.000 -3.664 0.000) 3.664 26.896 ( 0.000 -4.342 0.000) 4.342 27.452 ( 0.000 -0.227 0.000) 0.227 27.500 ( 0.000 0.170 0.000) 0.170 27.624 ( 0.000 4.940 0.000) 4.940 27.642 ( 0.000 9.361 0.000) 9.361 28.034 ( 0.000 7.842 0.000) 7.842 28.068 ( 0.000 -2.580 0.000) 2.580 28.173 ( 0.000 -2.537 0.000) 2.537 28.229 ( 0.000 -3.218 0.000) 3.218 28.524 ( 0.000 4.194 0.000) 4.194 28.590 ( 0.000 0.081 0.000) 0.081 29.426 ( 0.000 5.317 0.000) 5.317 29.481 ( 0.000 2.627 0.000) 2.627 29.491 ( 0.000 6.706 0.000) 6.706 29.641 ( 0.000 -3.447 0.000) 3.447 30.243 ( 0.000 10.930 0.000) 10.930 30.606 ( 0.000 -4.154 0.000) 4.154 30.707 ( 0.000 0.043 0.000) 0.043 30.738 ( 0.000 -3.225 0.000) 3.225 30.869 ( 0.000 6.425 0.000) 6.425 30.995 ( 0.000 4.897 0.000) 4.897 31.264 ( 0.000 4.034 0.000) 4.034 31.395 ( 0.000 -6.428 0.000) 6.428 31.417 ( 0.000 -9.421 0.000) 9.421 31.438 ( 0.000 -3.316 0.000) 3.316 32.023 ( 0.000 1.691 0.000) 1.691 32.176 ( 0.000 -5.766 0.000) 5.766 32.265 ( 0.000 3.996 0.000) 3.996 32.448 ( 0.000 -4.748 0.000) 4.748 36.845 ( 0.000 -1.020 0.000) 1.020 36.848 ( 0.000 -0.904 0.000) 0.904 37.300 ( 0.000 -0.230 0.000) 0.230 37.359 ( 0.000 -2.604 0.000) 2.604 39.520 ( 0.000 3.617 0.000) 3.617 39.591 ( 0.000 -0.351 0.000) 0.351 40.704 ( 0.000 7.349 0.000) 7.349 40.874 ( 0.000 -1.117 0.000) 1.117 ======================= Grid point 16 (11/55) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 4.913 16.548 -0.817) 17.281 1.529 ( 1.018 8.660 -2.647) 9.113 1.638 ( -2.013 2.047 1.991) 3.493 1.770 ( -2.952 3.281 6.244) 7.646 1.819 ( 2.088 2.715 3.020) 4.566 1.895 ( -1.679 11.351 -0.908) 11.510 2.033 ( -0.617 6.901 -1.438) 7.077 2.061 ( 3.151 -2.277 -1.132) 4.049 2.176 ( -1.018 0.237 -1.816) 2.096 2.306 ( -0.979 2.946 2.535) 4.008 2.329 ( -1.285 -1.376 0.049) 1.884 2.361 ( -4.702 3.064 -0.007) 5.612 2.428 ( -0.750 1.446 -1.463) 2.189 2.552 ( -4.978 1.297 -1.484) 5.354 2.598 ( 0.687 -2.040 -2.167) 3.054 2.615 ( -3.356 0.442 -0.343) 3.403 2.715 ( -0.623 -2.357 -0.349) 2.463 2.717 ( -0.959 -1.046 -0.192) 1.431 2.752 ( -3.660 -1.149 -1.624) 4.166 2.804 ( 2.119 2.686 1.011) 3.568 2.822 ( 1.405 -2.552 -0.055) 2.913 2.899 ( 2.852 -0.658 4.078) 5.019 3.043 ( -1.678 1.881 0.676) 2.610 3.087 ( 2.541 5.534 0.410) 6.103 3.162 ( -2.447 3.549 0.036) 4.311 3.237 ( 2.149 6.165 1.063) 6.615 3.269 ( -1.598 4.024 -0.974) 4.438 3.342 ( -1.059 -1.063 -0.947) 1.774 3.447 ( 0.769 0.331 -2.134) 2.293 3.549 ( 3.325 4.071 -1.624) 5.501 3.660 ( -0.468 3.311 -0.576) 3.393 3.758 ( 0.191 -2.951 -2.199) 3.685 3.850 ( -0.303 -0.119 4.608) 4.619 3.898 ( -0.856 -1.998 3.038) 3.736 4.031 ( -2.233 2.606 -1.304) 3.671 4.164 ( -1.769 -0.204 -1.539) 2.353 4.205 ( -0.849 6.583 -3.566) 7.535 4.318 ( 3.275 6.974 0.556) 7.725 4.457 ( 6.874 3.304 0.280) 7.632 4.596 ( -6.063 -5.920 -7.765) 11.494 4.772 ( 0.734 2.421 1.225) 2.811 4.830 ( -1.261 0.957 1.914) 2.484 4.989 ( -9.210 1.426 1.650) 9.465 5.047 ( -4.477 -1.491 1.688) 5.012 5.199 ( -2.267 0.808 -1.671) 2.930 5.232 ( -2.627 0.543 -2.244) 3.497 5.499 ( -2.345 1.656 -0.088) 2.872 5.603 ( 4.410 -0.478 3.909) 5.912 5.623 ( 3.870 6.071 0.270) 7.204 5.791 ( 0.824 1.538 -2.147) 2.766 5.974 ( 1.991 3.143 -0.219) 3.727 6.004 ( -0.708 2.417 1.139) 2.764 6.033 ( 1.445 0.928 0.958) 1.967 6.131 ( 3.543 1.270 2.740) 4.656 6.196 ( 3.364 2.680 0.808) 4.376 6.336 ( 2.593 -2.667 0.825) 3.810 6.460 ( 4.384 -1.855 2.482) 5.368 6.558 ( 2.808 -1.223 -1.582) 3.448 6.704 ( 0.704 -13.424 0.023) 13.443 6.810 ( 1.857 -12.217 -0.119) 12.358 7.316 ( 1.200 0.905 1.992) 2.496 7.458 ( 2.769 -5.322 -0.172) 6.001 7.590 ( -5.636 1.160 -3.325) 6.645 7.718 ( -3.363 -3.645 -1.477) 5.175 7.935 ( 1.714 2.897 -0.961) 3.501 8.067 ( -4.904 -3.367 0.904) 6.017 8.174 ( 2.107 0.158 0.843) 2.275 8.299 ( -3.664 -0.987 0.416) 3.818 8.354 ( -2.272 -1.261 0.093) 2.600 8.448 ( -0.012 -0.426 0.432) 0.607 8.526 ( -8.362 -2.243 0.808) 8.695 8.582 ( -4.742 -2.498 -0.476) 5.381 9.059 ( 0.077 5.826 -0.446) 5.844 9.067 ( 0.049 3.531 0.872) 3.638 9.144 ( 0.495 0.186 0.076) 0.534 9.331 ( 0.730 -3.491 -0.355) 3.584 9.801 ( 3.163 2.287 -0.020) 3.903 9.965 ( -0.941 -1.484 -3.099) 3.563 10.028 ( -1.720 -0.272 2.428) 2.988 10.124 ( 1.639 -3.966 1.015) 4.409 10.349 ( -2.898 2.290 -1.343) 3.930 10.385 ( -1.885 3.072 1.134) 3.778 10.488 ( -2.572 -3.028 1.921) 4.413 10.521 ( 1.099 -0.479 -2.984) 3.216 10.769 ( 9.607 -0.014 1.448) 9.715 10.795 ( 4.863 -1.546 -0.221) 5.107 10.884 ( 1.098 3.361 -1.862) 3.996 11.038 ( -4.857 -2.865 -0.623) 5.673 11.157 ( 2.803 3.034 -3.028) 5.122 11.288 ( 2.074 0.996 1.911) 2.990 11.338 ( 2.004 1.662 3.986) 4.761 11.370 ( 0.351 -2.949 -0.792) 3.074 11.769 ( -0.020 3.908 0.831) 3.996 11.963 ( 1.317 2.017 -2.887) 3.760 12.064 ( 3.254 -4.653 1.585) 5.895 12.228 ( -0.851 -5.162 -0.602) 5.266 13.077 ( -1.391 3.863 -1.271) 4.298 13.197 ( 2.955 -4.443 -0.524) 5.361 13.375 ( 3.126 0.390 -1.607) 3.536 13.513 ( -0.458 -4.755 3.737) 6.065 13.701 ( -9.438 6.184 2.124) 11.481 13.904 ( -0.529 0.890 -7.154) 7.228 14.026 ( -12.365 -6.279 5.771) 15.021 14.226 ( -9.362 -8.298 -0.095) 12.511 14.521 ( 4.167 3.031 -1.273) 5.308 14.636 ( 4.026 0.121 -3.706) 5.473 14.673 ( 3.622 -1.695 1.468) 4.260 14.766 ( 0.962 -2.228 0.969) 2.613 15.412 ( 3.598 0.832 1.557) 4.008 15.431 ( 4.377 -0.610 2.485) 5.071 15.684 ( -2.313 3.150 -1.399) 4.151 15.763 ( 1.819 -1.238 -1.704) 2.783 16.456 ( 0.399 4.329 0.280) 4.356 16.568 ( -1.049 0.815 0.556) 1.440 16.667 ( -3.187 -4.193 0.855) 5.335 16.715 ( -4.362 -6.307 -0.832) 7.714 17.041 ( -2.937 2.424 -0.540) 3.846 17.104 ( -4.747 1.760 -0.798) 5.125 17.187 ( -4.197 -2.518 -0.355) 4.907 17.260 ( -3.606 -2.144 0.414) 4.216 17.514 ( 6.792 1.242 1.014) 6.979 17.534 ( 5.279 1.930 -1.205) 5.748 17.710 ( 5.696 -4.162 -0.283) 7.060 17.734 ( 5.646 -3.698 0.565) 6.773 17.835 ( 4.795 3.194 -0.347) 5.772 17.876 ( 3.754 1.617 0.074) 4.088 17.907 ( 7.045 -0.235 -0.380) 7.059 17.964 ( 7.987 -3.140 0.672) 8.608 18.350 ( -5.583 4.755 0.281) 7.339 18.409 ( -5.637 4.766 0.144) 7.383 18.565 ( -6.433 -5.308 1.300) 8.441 18.674 ( -6.852 -6.653 -0.475) 9.562 19.267 ( 0.389 6.572 0.367) 6.594 19.348 ( -0.337 3.154 0.248) 3.182 19.415 ( 0.925 2.409 -0.635) 2.657 19.495 ( 1.761 0.129 0.097) 1.769 19.580 ( 1.026 -1.571 0.255) 1.894 19.625 ( 1.232 -2.441 0.526) 2.785 19.776 ( 0.414 0.975 -0.564) 1.200 19.834 ( -0.672 -1.510 -0.601) 1.759 20.661 ( 1.556 6.965 0.103) 7.138 20.810 ( 1.333 -1.745 -0.984) 2.407 20.843 ( 1.683 -2.097 0.581) 2.751 20.877 ( 1.320 -2.627 0.348) 2.960 21.057 ( -1.479 -1.851 -0.395) 2.402 21.209 ( -0.642 -6.415 4.397) 7.804 21.270 ( 0.573 1.107 -3.614) 3.823 21.515 ( 0.540 -8.032 0.098) 8.050 22.634 ( 0.046 -0.646 -0.397) 0.759 22.692 ( 1.133 -0.984 1.473) 2.103 22.700 ( 1.360 -2.569 -1.081) 3.101 22.749 ( 2.669 -2.312 0.096) 3.532 23.161 ( 1.038 2.622 -0.575) 2.878 23.288 ( 0.415 -2.759 -0.089) 2.792 23.315 ( 1.771 -1.141 0.599) 2.190 23.350 ( 0.853 -2.750 -0.182) 2.885 23.967 ( -1.813 0.989 0.142) 2.071 24.102 ( -6.440 -3.070 -1.980) 7.404 24.175 ( -3.304 -2.030 0.811) 3.962 24.249 ( -3.330 -4.347 1.235) 5.613 25.274 ( 1.708 4.175 -0.739) 4.571 25.308 ( 3.205 2.516 0.767) 4.146 25.379 ( 2.124 3.376 0.352) 4.004 25.475 ( 2.006 -1.425 -0.972) 2.646 26.483 ( -1.153 3.499 0.743) 3.758 26.630 ( -0.352 1.979 -2.723) 3.385 26.705 ( -0.105 -0.771 1.348) 1.557 26.913 ( 1.373 -5.970 1.404) 6.285 27.424 ( -1.870 0.791 -0.888) 2.216 27.490 ( -0.702 -0.307 -0.140) 0.779 27.609 ( -1.866 4.953 2.824) 5.999 27.670 ( 1.879 4.724 -1.708) 5.363 27.996 ( -3.409 5.551 2.851) 7.110 28.033 ( -3.723 -0.873 -1.245) 4.021 28.126 ( -1.667 -0.364 -2.569) 3.084 28.157 ( -5.181 -3.554 2.361) 6.712 28.549 ( 2.618 5.949 -4.405) 7.852 28.731 ( 9.612 -1.185 2.537) 10.012 29.471 ( 2.438 8.034 2.528) 8.768 29.505 ( 2.965 4.868 2.227) 6.119 29.563 ( 7.652 2.769 -2.160) 8.420 29.648 ( 2.249 -3.509 -5.540) 6.932 30.172 ( -7.935 8.764 4.050) 12.497 30.477 ( -15.572 -4.358 8.547) 18.290 30.678 ( 4.536 2.954 -4.826) 7.252 30.842 ( 5.356 -2.536 -10.448) 12.012 30.862 ( -0.715 6.516 4.860) 8.160 30.965 ( -3.131 4.620 2.407) 6.078 31.234 ( -2.390 0.762 -3.654) 4.432 31.278 ( -4.808 -4.001 -2.652) 6.794 31.429 ( 0.455 -1.398 0.536) 1.565 31.487 ( 1.226 -5.709 3.206) 6.661 32.083 ( 4.211 -0.106 1.098) 4.353 32.191 ( 1.240 -5.007 0.184) 5.162 32.269 ( 0.744 2.345 -0.680) 2.553 32.437 ( -0.879 -4.981 -1.599) 5.305 36.851 ( 0.589 -0.838 -0.063) 1.026 36.858 ( 0.790 -0.874 -0.143) 1.187 37.321 ( 1.948 -0.311 -0.459) 2.026 37.412 ( 4.350 -4.540 0.851) 6.345 39.518 ( -0.154 3.718 -0.128) 3.723 39.594 ( 0.310 -0.524 -0.340) 0.697 40.700 ( -0.317 6.747 0.463) 6.770 40.836 ( -3.447 -0.124 0.095) 3.450 ======================= Grid point 17 (12/55) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -1.354 5.179 -0.564) 5.383 1.506 ( 7.419 10.447 -4.035) 13.434 1.615 ( -1.549 4.068 2.865) 5.211 1.702 ( -6.472 4.651 2.406) 8.325 1.850 ( -1.108 13.495 1.998) 13.687 1.933 ( 4.656 3.182 1.834) 5.931 2.017 ( -1.447 2.172 -3.365) 4.258 2.104 ( 2.313 0.991 2.542) 3.577 2.155 ( 0.840 1.273 0.333) 1.561 2.246 ( -4.441 6.003 -2.067) 7.748 2.297 ( -0.645 0.284 1.310) 1.487 2.357 ( 0.480 -1.348 0.720) 1.602 2.399 ( -0.663 2.088 -0.107) 2.193 2.452 ( -3.281 2.868 -1.998) 4.794 2.543 ( -2.993 -4.909 -0.346) 5.760 2.577 ( -1.566 1.975 -2.052) 3.250 2.663 ( -0.484 -4.837 -0.711) 4.912 2.702 ( -1.618 -3.336 0.014) 3.708 2.726 ( 0.183 1.711 -0.141) 1.727 2.834 ( 0.268 -3.062 -0.121) 3.076 2.866 ( 2.358 0.751 1.235) 2.765 2.942 ( -0.019 -3.494 2.460) 4.273 3.023 ( -0.346 0.975 0.031) 1.035 3.095 ( -2.379 6.769 0.268) 7.180 3.139 ( 2.292 4.836 -0.148) 5.353 3.240 ( -1.856 1.936 -0.498) 2.728 3.291 ( 1.882 -2.196 0.760) 2.991 3.318 ( -1.482 -1.058 -0.464) 1.879 3.482 ( 4.952 5.067 -2.224) 7.426 3.566 ( 0.038 2.371 0.166) 2.377 3.604 ( -4.732 3.601 -1.364) 6.101 3.758 ( 0.326 -2.246 -0.641) 2.359 3.889 ( 1.883 -1.576 1.179) 2.724 3.909 ( 0.098 -3.036 3.177) 4.396 3.983 ( -1.674 4.545 -0.951) 4.936 4.164 ( -0.314 5.404 -2.151) 5.825 4.178 ( 1.283 -1.097 0.790) 1.864 4.359 ( 0.491 6.833 -0.712) 6.888 4.437 ( -3.956 -3.204 -4.394) 6.725 4.608 ( 6.677 2.746 -2.330) 7.586 4.714 ( -6.383 1.545 1.860) 6.826 4.824 ( 0.754 1.209 -0.163) 1.434 4.953 ( 1.936 0.795 2.033) 2.918 5.004 ( -1.597 -1.923 1.794) 3.077 5.117 ( -2.931 3.934 0.584) 4.940 5.211 ( 1.512 -2.079 -1.158) 2.819 5.416 ( -4.159 2.303 -1.445) 4.968 5.618 ( -1.069 -5.827 0.267) 5.930 5.723 ( 3.010 7.106 1.635) 7.889 5.872 ( 4.437 5.516 0.900) 7.136 5.948 ( -1.449 7.679 -0.209) 7.817 6.028 ( 2.002 3.578 0.501) 4.130 6.051 ( -1.019 2.548 -0.613) 2.812 6.217 ( 2.643 -1.092 0.972) 3.020 6.255 ( 2.374 4.209 0.952) 4.926 6.383 ( 0.777 -0.585 -0.039) 0.973 6.457 ( -3.367 -0.516 0.748) 3.487 6.645 ( 4.128 0.373 -0.159) 4.147 6.716 ( 0.213 -10.658 -0.047) 10.660 6.839 ( 1.204 -10.792 0.024) 10.859 7.361 ( 1.927 0.770 0.864) 2.248 7.461 ( -0.809 2.137 -0.901) 2.456 7.571 ( 2.359 -7.850 -0.851) 8.241 7.646 ( -2.275 -5.197 -0.973) 5.756 7.937 ( -4.602 3.597 -1.078) 5.940 7.970 ( -0.223 -0.116 0.651) 0.698 8.206 ( 0.169 -0.654 2.028) 2.137 8.229 ( -0.709 -0.561 0.666) 1.123 8.278 ( -5.297 -3.376 -1.742) 6.519 8.409 ( -2.975 -7.811 -0.047) 8.359 8.442 ( -0.073 -5.318 2.104) 5.719 8.492 ( -2.944 -3.721 -1.205) 4.895 9.058 ( 0.505 5.589 1.313) 5.763 9.081 ( -0.053 8.509 -1.090) 8.579 9.214 ( 4.418 -0.508 0.158) 4.450 9.289 ( -2.765 -0.229 -0.530) 2.824 9.869 ( 2.405 -1.144 0.347) 2.685 9.951 ( -0.492 -4.423 -1.596) 4.728 10.015 ( 0.299 0.915 1.111) 1.469 10.137 ( -0.221 -3.960 -0.029) 3.967 10.306 ( -0.466 1.849 -0.086) 1.909 10.409 ( 1.565 0.898 2.957) 3.464 10.448 ( -1.616 -0.803 -1.162) 2.146 10.541 ( 1.604 2.124 -0.312) 2.680 10.806 ( -3.632 -1.435 -0.537) 3.942 10.861 ( -0.235 -2.367 -2.607) 3.529 10.915 ( 3.962 6.062 -0.531) 7.261 11.047 ( 4.726 -1.116 -1.616) 5.118 11.155 ( -1.099 5.673 2.209) 6.186 11.278 ( -4.514 -0.549 -0.587) 4.585 11.357 ( 1.894 -4.026 1.201) 4.608 11.421 ( 1.573 -3.742 0.516) 4.092 11.837 ( 4.995 6.500 3.393) 8.873 11.994 ( 1.399 0.979 -2.343) 2.899 12.114 ( 2.058 -0.533 -2.068) 2.966 12.171 ( -4.262 -1.727 1.387) 4.804 13.020 ( -2.271 7.666 -1.080) 8.068 13.252 ( 1.614 -2.455 -0.225) 2.947 13.436 ( 3.380 -5.119 0.028) 6.134 13.532 ( -0.548 -2.452 3.598) 4.388 13.575 ( -0.206 -1.370 -5.389) 5.565 13.739 ( -12.264 -6.204 5.281) 14.724 13.990 ( 5.416 -2.326 -2.398) 6.364 14.085 ( -5.082 -5.905 -0.273) 7.796 14.576 ( 1.914 3.269 -0.017) 3.788 14.660 ( 0.920 1.536 -2.191) 2.829 14.689 ( -2.407 -0.144 1.423) 2.800 14.789 ( 0.883 -5.103 0.044) 5.179 15.497 ( 3.334 1.238 -0.192) 3.562 15.510 ( 1.357 0.467 2.893) 3.229 15.640 ( -0.941 3.960 -0.847) 4.157 15.774 ( 0.117 -1.718 -1.071) 2.028 16.476 ( 1.204 1.559 0.275) 1.989 16.558 ( 0.068 -0.346 1.250) 1.299 16.601 ( -3.323 -1.998 -1.262) 4.077 16.632 ( -2.499 -3.199 0.144) 4.062 17.019 ( 0.946 -2.515 -1.010) 2.870 17.042 ( -1.365 -0.998 -0.139) 1.697 17.094 ( -4.068 -1.939 0.376) 4.522 17.198 ( -1.880 -4.068 0.067) 4.482 17.635 ( 3.741 3.194 -0.549) 4.949 17.661 ( 5.950 3.700 0.545) 7.027 17.748 ( -0.363 -0.133 -0.278) 0.476 17.814 ( 0.763 -0.184 0.214) 0.814 17.933 ( 5.660 2.496 -0.144) 6.187 18.008 ( 7.494 3.346 -0.315) 8.213 18.054 ( 6.837 -2.027 -1.144) 7.222 18.129 ( 0.989 0.002 1.721) 1.984 18.259 ( 1.127 0.519 -0.740) 1.445 18.288 ( -3.959 1.305 0.026) 4.169 18.414 ( -7.510 -5.052 1.623) 9.196 18.497 ( -10.071 -6.257 -0.408) 11.863 19.276 ( 0.313 6.222 0.206) 6.233 19.371 ( 1.823 4.279 1.525) 4.895 19.411 ( -0.995 2.612 -1.511) 3.177 19.523 ( 0.959 -0.053 0.102) 0.966 19.609 ( 1.139 -1.676 0.567) 2.104 19.633 ( -0.214 -2.251 -0.329) 2.285 19.784 ( 0.454 -0.785 -0.382) 0.984 19.817 ( -0.599 -2.086 -0.259) 2.185 20.690 ( 0.971 6.711 0.010) 6.781 20.833 ( 1.056 -1.798 -0.725) 2.208 20.880 ( 1.058 -2.841 0.164) 3.036 20.914 ( 2.282 -2.383 0.971) 3.439 21.011 ( -2.580 -0.748 -0.684) 2.772 21.226 ( -0.137 -2.156 5.864) 6.249 21.254 ( 0.028 -2.449 -5.365) 5.898 21.526 ( 0.348 -8.660 0.085) 8.668 22.638 ( 0.247 -0.468 0.019) 0.529 22.710 ( 0.408 0.753 0.397) 0.944 22.722 ( 0.753 -3.870 -0.722) 4.008 22.797 ( 1.473 -3.316 0.337) 3.644 23.182 ( 1.046 2.325 -0.524) 2.603 23.295 ( 0.162 -2.723 0.093) 2.729 23.365 ( 0.566 -1.841 -0.021) 1.926 23.368 ( 2.351 -1.720 0.553) 2.965 23.932 ( -1.826 -0.678 -0.626) 2.046 23.972 ( -3.847 -0.702 -0.528) 3.946 24.118 ( -2.058 -1.933 0.479) 2.864 24.185 ( -2.624 -5.123 0.550) 5.782 25.301 ( 0.987 5.652 -0.528) 5.762 25.380 ( 2.810 3.188 1.885) 4.649 25.412 ( 0.597 3.098 -1.084) 3.336 25.506 ( 1.141 -1.185 -0.629) 1.761 26.469 ( -0.420 3.316 0.415) 3.368 26.633 ( 1.709 -1.349 -2.455) 3.281 26.678 ( -2.593 1.500 1.565) 3.380 26.947 ( 0.935 -8.330 1.013) 8.443 27.391 ( -0.815 1.317 -0.622) 1.669 27.483 ( -0.037 -2.194 0.081) 2.196 27.580 ( -1.474 3.553 1.296) 4.060 27.679 ( -0.213 -0.859 -0.565) 1.050 27.949 ( -2.093 4.814 0.805) 5.311 27.962 ( -1.403 1.022 -1.129) 2.071 28.093 ( -2.019 -2.255 1.825) 3.534 28.117 ( 0.483 -0.446 -0.462) 0.804 28.556 ( 0.330 10.313 -2.857) 10.706 28.897 ( 4.862 -3.661 1.388) 6.242 29.487 ( 0.051 7.156 0.511) 7.174 29.580 ( -0.008 1.270 1.526) 1.986 29.734 ( 10.563 4.385 -2.563) 11.721 29.767 ( 11.849 2.015 -4.012) 12.671 30.006 ( -8.496 4.527 3.293) 10.175 30.158 ( -18.337 -0.764 4.529) 18.904 30.765 ( 5.493 5.952 -4.700) 9.364 30.848 ( 0.429 4.460 -3.597) 5.745 30.868 ( -2.749 3.460 5.526) 7.076 30.936 ( -0.038 0.669 0.205) 0.701 31.148 ( -3.276 -0.491 -2.043) 3.892 31.231 ( -0.211 -3.703 -0.761) 3.786 31.462 ( 1.857 -0.898 1.320) 2.449 31.496 ( -0.924 -2.748 0.357) 2.921 32.151 ( 1.754 0.273 1.346) 2.228 32.206 ( 0.258 -2.294 -1.234) 2.617 32.302 ( 2.254 -2.819 0.985) 3.741 32.398 ( -1.910 -4.901 -1.802) 5.560 36.861 ( 0.368 -0.657 -0.059) 0.755 36.871 ( 0.454 -0.662 -0.053) 0.805 37.354 ( 1.195 -0.471 -0.277) 1.314 37.491 ( 2.445 -6.958 0.444) 7.389 39.515 ( -0.062 3.821 -0.071) 3.822 39.598 ( 0.150 -0.688 -0.219) 0.737 40.708 ( 1.239 5.374 -0.015) 5.515 40.763 ( -3.466 1.630 0.347) 3.846 ======================= Grid point 20 (13/55) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 -7.842 0.000) 7.842 1.569 ( 0.000 7.842 0.000) 7.842 1.743 ( 0.000 -7.349 0.000) 7.349 1.743 ( 0.000 7.349 0.000) 7.349 1.893 ( 0.000 -7.201 0.000) 7.201 1.893 ( 0.000 7.201 0.000) 7.201 2.151 ( 0.000 -10.589 0.000) 10.589 2.151 ( 0.000 10.589 0.000) 10.589 2.175 ( 0.000 -3.955 0.000) 3.955 2.175 ( 0.000 3.955 0.000) 3.955 2.377 ( 0.000 -3.286 0.000) 3.286 2.377 ( 0.000 3.286 0.000) 3.286 2.547 ( 0.000 -3.556 0.000) 3.556 2.547 ( 0.000 3.556 0.000) 3.556 2.639 ( 0.000 -2.194 0.000) 2.194 2.639 ( 0.000 2.194 0.000) 2.194 2.730 ( 0.000 -0.122 0.000) 0.122 2.730 ( 0.000 0.122 0.000) 0.122 2.772 ( 0.000 -1.168 0.000) 1.168 2.772 ( 0.000 1.168 0.000) 1.168 2.811 ( 0.000 -1.948 0.000) 1.948 2.811 ( 0.000 1.948 0.000) 1.948 3.098 ( 0.000 -0.224 0.000) 0.224 3.098 ( 0.000 0.224 0.000) 0.224 3.242 ( 0.000 -2.742 0.000) 2.742 3.242 ( 0.000 2.742 0.000) 2.742 3.401 ( 0.000 -3.141 0.000) 3.141 3.401 ( 0.000 3.141 0.000) 3.141 3.493 ( 0.000 -5.860 0.000) 5.860 3.493 ( 0.000 5.860 0.000) 5.860 3.693 ( 0.000 -3.116 0.000) 3.116 3.693 ( 0.000 3.116 0.000) 3.116 3.891 ( 0.000 -0.854 0.000) 0.854 3.891 ( 0.000 0.854 0.000) 0.854 4.132 ( 0.000 -4.707 0.000) 4.707 4.132 ( 0.000 4.707 0.000) 4.707 4.368 ( 0.000 -0.932 0.000) 0.932 4.368 ( 0.000 0.932 0.000) 0.932 4.468 ( 0.000 -9.572 0.000) 9.572 4.468 ( 0.000 9.572 0.000) 9.572 4.823 ( 0.000 -2.009 0.000) 2.009 4.823 ( 0.000 2.009 0.000) 2.009 5.126 ( 0.000 -2.992 0.000) 2.992 5.126 ( 0.000 2.992 0.000) 2.992 5.243 ( 0.000 -2.602 0.000) 2.602 5.243 ( 0.000 2.602 0.000) 2.602 5.521 ( 0.000 -1.202 0.000) 1.202 5.521 ( 0.000 1.202 0.000) 1.202 5.737 ( 0.000 -6.412 0.000) 6.412 5.737 ( 0.000 6.412 0.000) 6.412 6.007 ( 0.000 -0.747 0.000) 0.747 6.007 ( 0.000 0.747 0.000) 0.747 6.047 ( 0.000 -1.211 0.000) 1.211 6.047 ( 0.000 1.211 0.000) 1.211 6.216 ( 0.000 -6.695 0.000) 6.695 6.216 ( 0.000 6.695 0.000) 6.695 6.451 ( 0.000 -8.406 0.000) 8.406 6.451 ( 0.000 8.406 0.000) 8.406 6.565 ( 0.000 -5.247 0.000) 5.247 6.565 ( 0.000 5.247 0.000) 5.247 7.340 ( 0.000 -2.722 0.000) 2.722 7.340 ( 0.000 2.722 0.000) 2.722 7.717 ( 0.000 -1.304 0.000) 1.304 7.717 ( 0.000 1.304 0.000) 1.304 8.015 ( 0.000 -5.330 0.000) 5.330 8.015 ( 0.000 5.330 0.000) 5.330 8.190 ( 0.000 -4.798 0.000) 4.798 8.190 ( 0.000 4.798 0.000) 4.798 8.447 ( 0.000 -1.153 0.000) 1.153 8.447 ( 0.000 1.153 0.000) 1.153 8.623 ( 0.000 -0.857 0.000) 0.857 8.623 ( 0.000 0.857 0.000) 0.857 9.138 ( 0.000 -3.351 0.000) 3.351 9.138 ( 0.000 3.351 0.000) 3.351 9.171 ( 0.000 -3.408 0.000) 3.408 9.171 ( 0.000 3.408 0.000) 3.408 9.880 ( 0.000 -6.363 0.000) 6.363 9.880 ( 0.000 6.363 0.000) 6.363 10.084 ( 0.000 -1.600 0.000) 1.600 10.084 ( 0.000 1.600 0.000) 1.600 10.431 ( 0.000 -3.420 0.000) 3.420 10.431 ( 0.000 3.420 0.000) 3.420 10.490 ( 0.000 -1.759 0.000) 1.759 10.490 ( 0.000 1.759 0.000) 1.759 10.683 ( 0.000 -3.988 0.000) 3.988 10.683 ( 0.000 3.988 0.000) 3.988 10.959 ( 0.000 -5.098 0.000) 5.098 10.959 ( 0.000 5.098 0.000) 5.098 11.258 ( 0.000 -1.458 0.000) 1.458 11.258 ( 0.000 1.458 0.000) 1.458 11.309 ( 0.000 -0.150 0.000) 0.150 11.309 ( 0.000 0.150 0.000) 0.150 11.862 ( 0.000 -5.662 0.000) 5.662 11.862 ( 0.000 5.662 0.000) 5.662 12.092 ( 0.000 -6.729 0.000) 6.729 12.092 ( 0.000 6.729 0.000) 6.729 13.107 ( 0.000 -1.684 0.000) 1.684 13.107 ( 0.000 1.684 0.000) 1.684 13.407 ( 0.000 -4.536 0.000) 4.536 13.407 ( 0.000 4.536 0.000) 4.536 13.966 ( 0.000 -8.815 0.000) 8.815 13.966 ( 0.000 8.815 0.000) 8.815 14.168 ( 0.000 -10.177 0.000) 10.177 14.168 ( 0.000 10.177 0.000) 10.177 14.501 ( 0.000 -1.969 0.000) 1.969 14.501 ( 0.000 1.969 0.000) 1.969 14.689 ( 0.000 -3.185 0.000) 3.185 14.689 ( 0.000 3.185 0.000) 3.185 15.368 ( 0.000 -0.206 0.000) 0.206 15.368 ( 0.000 0.206 0.000) 0.206 15.731 ( 0.000 -0.451 0.000) 0.451 15.731 ( 0.000 0.451 0.000) 0.451 16.591 ( 0.000 -7.239 0.000) 7.239 16.591 ( 0.000 7.239 0.000) 7.239 16.632 ( 0.000 -4.073 0.000) 4.073 16.632 ( 0.000 4.073 0.000) 4.073 17.189 ( 0.000 -2.757 0.000) 2.757 17.189 ( 0.000 2.757 0.000) 2.757 17.282 ( 0.000 -3.310 0.000) 3.310 17.282 ( 0.000 3.310 0.000) 3.310 17.446 ( 0.000 -2.305 0.000) 2.305 17.446 ( 0.000 2.305 0.000) 2.305 17.536 ( 0.000 -2.591 0.000) 2.591 17.536 ( 0.000 2.591 0.000) 2.591 17.841 ( 0.000 -0.491 0.000) 0.491 17.841 ( 0.000 0.491 0.000) 0.491 17.860 ( 0.000 -2.074 0.000) 2.074 17.860 ( 0.000 2.074 0.000) 2.074 18.513 ( 0.000 -5.733 0.000) 5.733 18.513 ( 0.000 5.733 0.000) 5.733 18.602 ( 0.000 -7.451 0.000) 7.451 18.602 ( 0.000 7.451 0.000) 7.451 19.351 ( 0.000 -2.178 0.000) 2.178 19.351 ( 0.000 2.178 0.000) 2.178 19.457 ( 0.000 -1.687 0.000) 1.687 19.457 ( 0.000 1.687 0.000) 1.687 19.571 ( 0.000 -0.452 0.000) 0.452 19.571 ( 0.000 0.452 0.000) 0.452 19.813 ( 0.000 -2.107 0.000) 2.107 19.813 ( 0.000 2.107 0.000) 2.107 20.749 ( 0.000 -3.601 0.000) 3.601 20.749 ( 0.000 3.601 0.000) 3.601 20.815 ( 0.000 -1.147 0.000) 1.147 20.815 ( 0.000 1.147 0.000) 1.147 21.079 ( 0.000 -3.502 0.000) 3.502 21.079 ( 0.000 3.502 0.000) 3.502 21.369 ( 0.000 -6.423 0.000) 6.423 21.369 ( 0.000 6.423 0.000) 6.423 22.634 ( 0.000 -0.771 0.000) 0.771 22.634 ( 0.000 0.771 0.000) 0.771 22.694 ( 0.000 -0.963 0.000) 0.963 22.694 ( 0.000 0.963 0.000) 0.963 23.215 ( 0.000 -3.581 0.000) 3.581 23.215 ( 0.000 3.581 0.000) 3.581 23.296 ( 0.000 -1.221 0.000) 1.221 23.296 ( 0.000 1.221 0.000) 1.221 24.058 ( 0.000 -5.121 0.000) 5.121 24.058 ( 0.000 5.121 0.000) 5.121 24.229 ( 0.000 -1.811 0.000) 1.811 24.229 ( 0.000 1.811 0.000) 1.811 25.291 ( 0.000 -0.180 0.000) 0.180 25.291 ( 0.000 0.180 0.000) 0.180 25.418 ( 0.000 -2.552 0.000) 2.552 25.418 ( 0.000 2.552 0.000) 2.552 26.578 ( 0.000 -5.081 0.000) 5.081 26.578 ( 0.000 5.081 0.000) 5.081 26.785 ( 0.000 -6.203 0.000) 6.203 26.785 ( 0.000 6.203 0.000) 6.203 27.478 ( 0.000 -1.995 0.000) 1.995 27.478 ( 0.000 1.995 0.000) 1.995 27.717 ( 0.000 -2.371 0.000) 2.371 27.717 ( 0.000 2.371 0.000) 2.371 28.080 ( 0.000 -4.002 0.000) 4.002 28.080 ( 0.000 4.002 0.000) 4.002 28.162 ( 0.000 -4.073 0.000) 4.073 28.162 ( 0.000 4.073 0.000) 4.073 28.576 ( 0.000 -1.500 0.000) 1.500 28.576 ( 0.000 1.500 0.000) 1.500 29.485 ( 0.000 -1.602 0.000) 1.602 29.485 ( 0.000 1.602 0.000) 1.602 29.592 ( 0.000 -2.950 0.000) 2.950 29.592 ( 0.000 2.950 0.000) 2.950 30.463 ( 0.000 -10.212 0.000) 10.212 30.463 ( 0.000 10.212 0.000) 10.212 30.704 ( 0.000 -0.247 0.000) 0.247 30.704 ( 0.000 0.247 0.000) 0.247 31.002 ( 0.000 -5.151 0.000) 5.151 31.002 ( 0.000 5.151 0.000) 5.151 31.293 ( 0.000 -2.470 0.000) 2.470 31.293 ( 0.000 2.470 0.000) 2.470 31.376 ( 0.000 -2.959 0.000) 2.959 31.376 ( 0.000 2.959 0.000) 2.959 32.080 ( 0.000 -4.004 0.000) 4.004 32.080 ( 0.000 4.004 0.000) 4.004 32.353 ( 0.000 -4.815 0.000) 4.815 32.353 ( 0.000 4.815 0.000) 4.815 36.837 ( 0.000 -0.161 0.000) 0.161 36.837 ( 0.000 0.161 0.000) 0.161 37.314 ( 0.000 -1.654 0.000) 1.654 37.314 ( 0.000 1.654 0.000) 1.654 39.573 ( 0.000 -1.710 0.000) 1.710 39.573 ( 0.000 1.710 0.000) 1.710 40.820 ( 0.000 -4.397 0.000) 4.397 40.820 ( 0.000 4.397 0.000) 4.397 ======================= Grid point 22 (14/55) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.895 -4.377 -2.843) 5.296 1.580 ( 0.895 4.377 -2.843) 5.296 1.727 ( -2.283 -5.812 4.692) 7.811 1.727 ( -2.283 5.812 4.692) 7.811 1.918 ( 2.544 -6.232 2.311) 7.117 1.918 ( 2.544 6.232 2.311) 7.117 2.116 ( -2.894 -2.366 -2.325) 4.402 2.116 ( -2.894 2.366 -2.325) 4.402 2.202 ( 2.292 -6.474 0.518) 6.888 2.202 ( 2.292 6.474 0.518) 6.888 2.373 ( -1.026 -2.942 0.634) 3.179 2.373 ( -1.026 2.942 0.634) 3.179 2.525 ( -2.280 -5.592 -1.168) 6.151 2.525 ( -2.280 5.592 -1.168) 6.151 2.592 ( -2.981 -2.133 -2.616) 4.503 2.592 ( -2.981 2.133 -2.616) 4.503 2.682 ( -3.105 -0.575 -0.328) 3.175 2.682 ( -3.105 0.575 -0.328) 3.175 2.771 ( 0.050 -2.238 -1.467) 2.677 2.771 ( 0.050 2.238 -1.467) 2.677 2.854 ( 1.625 -2.305 3.993) 4.889 2.854 ( 1.625 2.305 3.993) 4.889 3.115 ( 0.617 -3.196 0.192) 3.261 3.115 ( 0.617 3.196 0.192) 3.261 3.209 ( -1.355 -2.914 0.113) 3.216 3.209 ( -1.355 2.914 0.113) 3.216 3.348 ( -3.802 -2.926 -0.802) 4.864 3.348 ( -3.802 2.926 -0.802) 4.864 3.559 ( 4.261 -6.431 -0.530) 7.733 3.559 ( 4.261 6.431 -0.530) 7.733 3.694 ( -0.297 -2.357 -2.464) 3.423 3.694 ( -0.297 2.357 -2.464) 3.423 3.861 ( -2.470 -1.147 3.959) 4.805 3.861 ( -2.470 1.147 3.959) 4.805 4.100 ( -1.676 -4.168 -0.923) 4.586 4.100 ( -1.676 4.168 -0.923) 4.586 4.367 ( -0.679 -6.951 -3.436) 7.784 4.367 ( -0.679 6.951 -3.436) 7.784 4.494 ( 3.432 -4.445 -1.428) 5.795 4.494 ( 3.432 4.445 -1.428) 5.795 4.810 ( -1.054 -1.834 0.212) 2.126 4.810 ( -1.054 1.834 0.212) 2.126 5.017 ( -7.288 -1.457 2.005) 7.698 5.017 ( -7.288 1.457 2.005) 7.698 5.220 ( -1.953 -1.048 -2.069) 3.032 5.220 ( -1.953 1.048 -2.069) 3.032 5.545 ( -1.464 -3.386 0.391) 3.710 5.545 ( -1.464 3.386 0.391) 3.710 5.746 ( 4.309 -5.459 0.806) 7.002 5.746 ( 4.309 5.459 0.806) 7.002 6.016 ( 1.311 -1.727 2.448) 3.271 6.016 ( 1.311 1.727 2.448) 3.271 6.116 ( 2.474 -3.937 0.279) 4.658 6.116 ( 2.474 3.937 0.279) 4.658 6.262 ( 4.604 -4.192 0.963) 6.301 6.262 ( 4.604 4.192 0.963) 6.301 6.495 ( 3.531 -5.569 0.108) 6.595 6.495 ( 3.531 5.569 0.108) 6.595 6.616 ( 4.097 -6.361 -0.149) 7.567 6.616 ( 4.097 6.361 -0.149) 7.567 7.359 ( 1.909 -3.748 1.361) 4.421 7.359 ( 1.909 3.748 1.361) 4.421 7.642 ( -5.439 -3.462 -3.219) 7.206 7.642 ( -5.439 3.462 -3.219) 7.206 8.004 ( -1.227 -3.406 0.309) 3.633 8.004 ( -1.227 3.406 0.309) 3.633 8.220 ( 1.966 -4.080 0.103) 4.530 8.220 ( 1.966 4.080 0.103) 4.530 8.387 ( -5.873 -3.372 0.555) 6.795 8.387 ( -5.873 3.372 0.555) 6.795 8.541 ( -7.193 -1.895 -0.315) 7.445 8.541 ( -7.193 1.895 -0.315) 7.445 9.116 ( -0.166 -2.692 0.675) 2.780 9.116 ( -0.166 2.692 0.675) 2.780 9.217 ( 2.498 -7.543 -0.176) 7.948 9.217 ( 2.498 7.543 -0.176) 7.948 9.876 ( -0.188 -5.308 0.223) 5.316 9.876 ( -0.188 5.308 0.223) 5.316 10.065 ( -1.068 -2.771 0.410) 2.997 10.065 ( -1.068 2.771 0.410) 2.997 10.399 ( -2.772 -2.693 -0.966) 3.984 10.399 ( -2.772 2.693 -0.966) 3.984 10.488 ( 1.122 -3.263 -0.164) 3.454 10.488 ( 1.122 3.263 -0.164) 3.454 10.766 ( 6.253 -0.745 0.850) 6.355 10.766 ( 6.253 0.745 0.850) 6.355 10.964 ( 0.112 -4.107 -2.649) 4.888 10.964 ( 0.112 4.107 -2.649) 4.888 11.249 ( 0.748 -4.925 -0.249) 4.988 11.249 ( 0.748 4.925 -0.249) 4.988 11.351 ( 0.607 -0.269 3.263) 3.330 11.351 ( 0.607 0.269 3.263) 3.330 11.878 ( 2.449 -6.999 -0.653) 7.444 11.878 ( 2.449 6.999 -0.653) 7.444 12.111 ( 1.651 -6.140 -0.395) 6.370 12.111 ( 1.651 6.140 -0.395) 6.370 13.134 ( 2.597 -2.375 -1.246) 3.734 13.134 ( 2.597 2.375 -1.246) 3.734 13.423 ( 0.759 -4.071 0.606) 4.185 13.423 ( 0.759 4.071 0.606) 4.185 13.827 ( -11.355 -6.812 1.573) 13.335 13.827 ( -11.355 6.812 1.573) 13.335 14.058 ( -6.990 -7.558 -0.754) 10.323 14.058 ( -6.990 7.558 -0.754) 10.323 14.581 ( 5.441 -3.135 -2.111) 6.625 14.581 ( 5.441 3.135 -2.111) 6.625 14.716 ( 0.948 -2.986 1.075) 3.312 14.716 ( 0.948 2.986 1.075) 3.312 15.422 ( 4.364 -0.362 2.200) 4.900 15.422 ( 4.364 0.362 2.200) 4.900 15.732 ( 0.188 -1.918 -1.727) 2.588 15.732 ( 0.188 1.918 -1.727) 2.588 16.553 ( -2.657 -4.602 0.869) 5.385 16.553 ( -2.657 4.602 0.869) 5.385 16.623 ( -1.288 -1.801 -0.458) 2.261 16.623 ( -1.288 1.801 -0.458) 2.261 17.101 ( -6.175 -3.150 -0.701) 6.967 17.101 ( -6.175 3.150 -0.701) 6.967 17.187 ( -5.167 -3.761 0.085) 6.391 17.187 ( -5.167 3.761 0.085) 6.391 17.579 ( 8.563 -2.805 -0.399) 9.020 17.579 ( 8.563 2.805 -0.399) 9.020 17.644 ( 7.730 -3.130 0.308) 8.345 17.644 ( 7.730 3.130 0.308) 8.345 17.891 ( 4.861 -1.650 -0.457) 5.154 17.891 ( 4.861 1.650 -0.457) 5.154 17.914 ( 5.650 -2.084 0.375) 6.033 17.914 ( 5.650 2.084 0.375) 6.033 18.447 ( -6.359 -4.742 0.748) 7.968 18.447 ( -6.359 4.742 0.748) 7.968 18.538 ( -6.302 -6.380 0.025) 8.968 18.538 ( -6.302 6.380 0.025) 8.968 19.356 ( 0.625 -2.341 -0.245) 2.436 19.356 ( 0.625 2.341 -0.245) 2.436 19.472 ( 1.099 -2.642 0.182) 2.867 19.472 ( 1.099 2.642 0.182) 2.867 19.583 ( 0.903 -1.545 0.686) 1.917 19.583 ( 0.903 1.545 0.686) 1.917 19.804 ( -0.674 -1.626 -0.768) 1.921 19.804 ( -0.674 1.626 -0.768) 1.921 20.763 ( 1.329 -3.433 -0.388) 3.702 20.763 ( 1.329 3.433 -0.388) 3.702 20.832 ( 1.518 -1.168 0.480) 1.975 20.832 ( 1.518 1.168 0.480) 1.975 21.078 ( -0.305 -4.519 0.415) 4.548 21.078 ( -0.305 4.519 0.415) 4.548 21.369 ( 0.039 -6.720 -0.157) 6.722 21.369 ( 0.039 6.720 -0.157) 6.722 22.643 ( 0.850 -1.727 -0.501) 1.990 22.643 ( 0.850 1.727 -0.501) 1.990 22.712 ( 1.569 -1.467 0.244) 2.162 22.712 ( 1.569 1.467 0.244) 2.162 23.221 ( 0.670 -3.487 -0.256) 3.560 23.221 ( 0.670 3.487 -0.256) 3.560 23.312 ( 1.589 -0.985 -0.024) 1.870 23.312 ( 1.589 0.985 -0.024) 1.870 24.019 ( -3.733 -4.031 0.531) 5.520 24.019 ( -3.733 4.031 0.531) 5.520 24.186 ( -3.753 -2.096 -0.215) 4.304 24.186 ( -3.753 2.096 -0.215) 4.304 25.327 ( 3.215 -0.890 0.313) 3.350 25.327 ( 3.215 0.890 0.313) 3.350 25.437 ( 1.773 -2.484 -0.609) 3.112 25.437 ( 1.773 2.484 -0.609) 3.112 26.565 ( -1.055 -4.895 -0.441) 5.027 26.565 ( -1.055 4.895 -0.441) 5.027 26.788 ( 0.055 -6.334 0.943) 6.404 26.788 ( 0.055 6.334 0.943) 6.404 27.459 ( -1.501 -2.348 -0.288) 2.802 27.459 ( -1.501 2.348 -0.288) 2.802 27.695 ( -2.426 -2.953 0.362) 3.839 27.695 ( -2.426 2.953 0.362) 3.839 28.053 ( -2.375 -3.604 -2.681) 5.081 28.053 ( -2.375 3.604 -2.681) 5.081 28.106 ( -3.305 -2.669 2.733) 5.052 28.106 ( -3.305 2.669 2.733) 5.052 28.662 ( 6.243 -5.244 -0.179) 8.155 28.662 ( 6.243 5.244 -0.179) 8.155 29.553 ( 4.562 -1.347 3.938) 6.175 29.553 ( 4.562 1.347 3.938) 6.175 29.601 ( 3.591 -2.249 -5.528) 6.965 29.601 ( 3.591 2.249 -5.528) 6.965 30.347 ( -11.694 -8.289 5.466) 15.341 30.347 ( -11.694 8.289 5.466) 15.341 30.759 ( 5.961 -4.727 -6.310) 9.884 30.759 ( 5.961 4.727 -6.310) 9.884 30.982 ( -2.817 -3.795 4.242) 6.351 30.982 ( -2.817 3.795 4.242) 6.351 31.225 ( -3.420 -1.061 -3.620) 5.092 31.225 ( -3.420 1.061 -3.620) 5.092 31.426 ( 2.440 -1.080 1.523) 3.073 31.426 ( 2.440 1.080 1.523) 3.073 32.110 ( 2.472 -2.877 1.115) 3.954 32.110 ( 2.472 2.877 1.115) 3.954 32.342 ( -0.752 -4.555 -1.508) 4.857 32.342 ( -0.752 4.555 -1.508) 4.857 36.845 ( 0.791 -0.267 -0.109) 0.842 36.845 ( 0.791 0.267 -0.109) 0.842 37.342 ( 2.334 -2.438 0.232) 3.383 37.342 ( 2.334 2.438 0.232) 3.383 39.573 ( 0.025 -1.839 -0.140) 1.845 39.573 ( 0.025 1.839 -0.140) 1.845 40.802 ( -1.685 -3.541 0.147) 3.924 40.802 ( -1.685 3.541 0.147) 3.924 ======================= Grid point 24 (15/55) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -0.133 -2.308 -2.737) 3.583 1.567 ( -0.133 2.308 -2.737) 3.583 1.710 ( -1.468 -3.622 3.171) 5.033 1.710 ( -1.468 3.622 3.171) 5.033 1.985 ( 0.681 -0.659 1.887) 2.111 1.985 ( 0.681 0.659 1.887) 2.111 2.074 ( 1.473 -3.279 -0.254) 3.604 2.074 ( 1.473 3.279 -0.254) 3.604 2.246 ( 1.571 -6.763 0.591) 6.968 2.246 ( 1.571 6.763 0.591) 6.968 2.325 ( -3.676 -2.025 -0.535) 4.231 2.325 ( -3.676 2.025 -0.535) 4.231 2.458 ( -2.233 -2.948 -0.752) 3.774 2.458 ( -2.233 2.948 -0.752) 3.774 2.532 ( -1.937 -5.142 -2.102) 5.883 2.532 ( -1.937 5.142 -2.102) 5.883 2.638 ( -0.794 -2.803 0.259) 2.925 2.638 ( -0.794 2.803 0.259) 2.925 2.772 ( 0.172 -2.912 -0.363) 2.939 2.772 ( 0.172 2.912 -0.363) 2.939 2.887 ( 0.454 -1.653 1.907) 2.564 2.887 ( 0.454 1.653 1.907) 2.564 3.089 ( -1.567 -5.220 -0.413) 5.465 3.089 ( -1.567 5.220 -0.413) 5.465 3.232 ( 1.401 -3.375 1.179) 3.840 3.232 ( 1.401 3.375 1.179) 3.840 3.278 ( -2.088 -2.060 -0.933) 3.078 3.278 ( -2.088 2.060 -0.933) 3.078 3.595 ( -0.320 -3.352 -2.234) 4.041 3.595 ( -0.320 3.352 -2.234) 4.041 3.674 ( 0.618 -7.749 0.058) 7.774 3.674 ( 0.618 7.749 0.058) 7.774 3.865 ( 0.205 -0.902 2.244) 2.427 3.865 ( 0.205 0.902 2.244) 2.427 4.093 ( 0.851 -5.777 0.169) 5.841 4.093 ( 0.851 5.777 0.169) 5.841 4.317 ( -1.864 -7.969 -2.922) 8.690 4.317 ( -1.864 7.969 -2.922) 8.690 4.528 ( 0.248 -8.721 -1.461) 8.846 4.528 ( 0.248 8.721 -1.461) 8.846 4.785 ( -0.945 -4.405 0.088) 4.506 4.785 ( -0.945 4.405 0.088) 4.506 4.978 ( 0.942 -1.775 2.494) 3.203 4.978 ( 0.942 1.775 2.494) 3.203 5.178 ( -0.917 -1.981 -1.151) 2.468 5.178 ( -0.917 1.981 -1.151) 2.468 5.485 ( -2.520 -5.511 -0.419) 6.074 5.485 ( -2.520 5.511 -0.419) 6.074 5.862 ( 3.980 -5.211 1.829) 6.807 5.862 ( 3.980 5.211 1.829) 6.807 6.054 ( 0.957 -1.717 1.008) 2.209 6.054 ( 0.957 1.717 1.008) 2.209 6.136 ( 0.682 -5.480 -0.618) 5.557 6.136 ( 0.682 5.480 -0.618) 5.557 6.351 ( 2.474 -3.572 0.695) 4.401 6.351 ( 2.474 3.572 0.695) 4.401 6.527 ( -0.576 -7.555 -0.004) 7.577 6.527 ( -0.576 7.555 -0.004) 7.577 6.689 ( 2.712 -4.618 -0.020) 5.356 6.689 ( 2.712 4.618 -0.020) 5.356 7.421 ( 2.772 -5.375 0.918) 6.117 7.421 ( 2.772 5.375 0.918) 6.117 7.540 ( -2.555 -4.885 -2.109) 5.902 7.540 ( -2.555 4.885 -2.109) 5.902 7.984 ( -0.562 -0.472 0.101) 0.741 7.984 ( -0.562 0.472 0.101) 0.741 8.202 ( -3.571 -2.397 -0.179) 4.304 8.202 ( -3.571 2.397 -0.179) 4.304 8.272 ( -4.024 -3.313 0.556) 5.242 8.272 ( -4.024 3.313 0.556) 5.242 8.433 ( -2.167 -2.306 -0.020) 3.165 8.433 ( -2.167 2.306 -0.020) 3.165 9.157 ( 3.060 -4.525 0.906) 5.537 9.157 ( 3.060 4.525 0.906) 5.537 9.232 ( -0.790 -5.494 -0.806) 5.609 9.232 ( -0.790 5.494 -0.806) 5.609 9.878 ( 0.088 -2.304 0.289) 2.324 9.878 ( 0.088 2.304 0.289) 2.324 10.065 ( 0.543 -3.501 0.378) 3.563 10.065 ( 0.543 3.501 0.378) 3.563 10.355 ( -1.030 -3.510 -0.197) 3.663 10.355 ( -1.030 3.510 -0.197) 3.663 10.524 ( 1.894 -4.479 -0.220) 4.868 10.524 ( 1.894 4.479 -0.220) 4.868 10.805 ( -2.052 -1.578 -0.309) 2.607 10.805 ( -2.052 1.578 -0.309) 2.607 11.009 ( 5.242 -2.944 -2.567) 6.537 11.009 ( 5.242 2.944 -2.567) 6.537 11.268 ( 0.401 -5.043 2.942) 5.853 11.268 ( 0.401 5.043 2.942) 5.853 11.324 ( -3.304 -4.953 -0.210) 5.957 11.324 ( -3.304 4.953 -0.210) 5.957 11.952 ( 3.571 -4.885 1.016) 6.136 11.952 ( 3.571 4.885 1.016) 6.136 12.131 ( 0.374 -2.160 -1.030) 2.422 12.131 ( 0.374 2.160 -1.030) 2.422 13.174 ( 1.560 -6.673 -1.296) 6.974 13.174 ( 1.560 6.673 -1.296) 6.974 13.422 ( -0.528 -4.245 -0.827) 4.357 13.422 ( -0.528 4.245 -0.827) 4.357 13.637 ( -6.963 -4.471 3.265) 8.896 13.637 ( -6.963 4.471 3.265) 8.896 13.989 ( 0.021 -2.848 -1.575) 3.255 13.989 ( 0.021 2.848 -1.575) 3.255 14.637 ( 1.131 -2.960 -0.587) 3.223 14.637 ( 1.131 2.960 -0.587) 3.223 14.718 ( -0.536 -2.622 0.318) 2.695 14.718 ( -0.536 2.622 0.318) 2.695 15.511 ( 2.592 -0.377 1.441) 2.990 15.511 ( 2.592 0.377 1.441) 2.990 15.719 ( -0.458 -3.713 -1.055) 3.887 15.719 ( -0.458 3.713 -1.055) 3.887 16.522 ( -0.819 -2.919 0.578) 3.087 16.522 ( -0.819 2.919 0.578) 3.087 16.592 ( -1.000 -0.981 -0.386) 1.454 16.592 ( -1.000 0.981 -0.386) 1.454 17.003 ( -2.700 -1.080 -0.536) 2.957 17.003 ( -2.700 1.080 -0.536) 2.957 17.124 ( -1.532 -3.241 0.206) 3.591 17.124 ( -1.532 3.241 0.206) 3.591 17.695 ( 2.968 -2.515 -0.300) 3.902 17.695 ( 2.968 2.515 -0.300) 3.902 17.767 ( 3.650 -3.723 0.280) 5.221 17.767 ( 3.650 3.723 0.280) 5.221 17.995 ( 5.581 -3.517 -0.867) 6.653 17.995 ( 5.581 3.517 -0.867) 6.653 18.078 ( 8.277 -3.661 0.303) 9.055 18.078 ( 8.277 3.661 0.303) 9.055 18.309 ( -6.227 -2.972 0.863) 6.954 18.309 ( -6.227 2.972 0.863) 6.954 18.381 ( -8.306 -4.566 -0.060) 9.478 18.381 ( -8.306 4.566 -0.060) 9.478 19.369 ( 0.519 -2.887 0.055) 2.934 19.369 ( 0.519 2.887 0.055) 2.934 19.491 ( 0.532 -3.445 0.151) 3.489 19.491 ( 0.532 3.445 0.151) 3.489 19.602 ( 0.576 -0.808 0.229) 1.019 19.602 ( 0.576 0.808 0.229) 1.019 19.786 ( -0.545 -0.902 -0.461) 1.150 19.786 ( -0.545 0.902 -0.461) 1.150 20.785 ( 0.806 -3.250 -0.377) 3.370 20.785 ( 0.806 3.250 -0.377) 3.370 20.867 ( 1.277 -1.555 0.451) 2.062 20.867 ( 1.277 1.555 0.451) 2.062 21.070 ( -0.496 -6.612 0.208) 6.633 21.070 ( -0.496 6.612 0.208) 6.633 21.369 ( -0.014 -7.314 -0.083) 7.314 21.369 ( -0.014 7.314 -0.083) 7.314 22.656 ( 0.488 -2.367 -0.301) 2.436 22.656 ( 0.488 2.367 -0.301) 2.436 22.742 ( 0.995 -2.329 0.162) 2.538 22.742 ( 0.995 2.329 0.162) 2.538 23.234 ( 0.577 -3.012 -0.179) 3.072 23.234 ( 0.577 3.012 -0.179) 3.072 23.348 ( 1.504 -0.114 -0.034) 1.508 23.348 ( 1.504 0.114 -0.034) 1.508 23.946 ( -2.820 -1.578 0.400) 3.256 23.946 ( -2.820 1.578 0.400) 3.256 24.115 ( -2.411 -1.793 -0.187) 3.011 24.115 ( -2.411 1.793 -0.187) 3.011 25.392 ( 2.252 -2.670 0.529) 3.533 25.392 ( 2.252 2.670 0.529) 3.533 25.463 ( 0.882 -2.549 -0.724) 2.793 25.463 ( 0.882 2.549 -0.724) 2.793 26.543 ( -0.697 -4.447 -0.208) 4.506 26.543 ( -0.697 4.447 -0.208) 4.506 26.793 ( 0.008 -7.226 0.519) 7.245 26.793 ( 0.008 7.226 0.519) 7.245 27.432 ( -0.881 -2.660 -0.118) 2.805 27.432 ( -0.881 2.660 -0.118) 2.805 27.643 ( -2.051 -2.773 0.222) 3.456 27.643 ( -2.051 2.773 0.222) 3.456 27.999 ( -1.413 -1.177 -0.862) 2.031 27.999 ( -1.413 1.177 -0.862) 2.031 28.085 ( -0.435 -2.089 0.842) 2.294 28.085 ( -0.435 2.089 0.842) 2.294 28.755 ( 2.679 -9.559 -0.114) 9.928 28.755 ( 2.679 9.559 -0.114) 9.928 29.578 ( -0.257 -2.036 0.041) 2.052 29.578 ( -0.257 2.036 0.041) 2.052 29.782 ( 12.703 -0.940 -2.335) 12.950 29.782 ( 12.703 0.940 -2.335) 12.950 30.103 ( -13.996 -4.426 3.734) 15.147 30.103 ( -13.996 4.426 3.734) 15.147 30.848 ( 5.649 -3.053 -6.233) 8.949 30.848 ( 5.649 3.053 -6.233) 8.949 30.935 ( -4.306 -1.591 5.946) 7.512 30.935 ( -4.306 1.591 5.946) 7.512 31.163 ( -1.315 -2.540 -1.663) 3.309 31.163 ( -1.315 2.540 -1.663) 3.309 31.463 ( 0.825 -0.801 0.383) 1.212 31.463 ( 0.825 0.801 0.383) 1.212 32.165 ( 1.867 -1.446 1.068) 2.592 32.165 ( 1.867 1.446 1.068) 2.592 32.315 ( -0.937 -3.193 -1.336) 3.586 32.315 ( -0.937 3.193 -1.336) 3.586 36.859 ( 0.486 -0.378 -0.068) 0.619 36.859 ( 0.486 0.378 -0.068) 0.619 37.385 ( 1.407 -3.629 0.138) 3.895 37.385 ( 1.407 3.629 0.138) 3.895 39.573 ( 0.019 -2.012 -0.088) 2.014 39.573 ( 0.019 2.012 -0.088) 2.014 40.771 ( -1.032 -1.355 0.091) 1.705 40.771 ( -1.032 1.355 0.091) 1.705 ======================= Grid point 45 (16/55) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.047 0.000 20.711) 20.711 0.454 ( -3.297 0.000 21.653) 21.902 0.839 ( -9.678 0.000 36.835) 38.085 1.156 ( 2.181 0.000 -5.873) 6.265 1.299 ( 1.051 0.000 -13.809) 13.849 1.718 ( 0.671 0.000 -4.865) 4.911 1.744 ( 0.850 0.000 -4.353) 4.435 1.876 ( 4.624 0.000 -4.475) 6.435 2.057 ( -2.323 0.000 5.179) 5.676 2.112 ( -1.155 0.000 -0.269) 1.186 2.175 ( 2.832 0.000 1.562) 3.235 2.248 ( 0.719 0.000 -0.551) 0.905 2.470 ( -2.575 0.000 3.482) 4.330 2.614 ( 2.220 0.000 0.655) 2.314 2.630 ( -9.103 0.000 0.434) 9.114 2.646 ( 0.604 0.000 -1.010) 1.177 2.679 ( 1.738 0.000 -2.323) 2.902 2.702 ( 0.138 0.000 0.175) 0.223 2.793 ( 6.880 0.000 -3.355) 7.655 2.826 ( 3.546 0.000 0.109) 3.548 2.869 ( -4.638 0.000 0.542) 4.670 2.884 ( 2.300 0.000 -7.954) 8.280 2.969 ( 0.817 0.000 0.808) 1.149 3.038 ( 0.177 0.000 0.483) 0.514 3.074 ( 0.173 0.000 -0.835) 0.853 3.074 ( 1.841 0.000 -0.984) 2.088 3.213 ( 0.133 0.000 0.403) 0.424 3.291 ( -3.617 0.000 -1.620) 3.963 3.364 ( -1.364 0.000 2.278) 2.655 3.431 ( 2.088 0.000 0.077) 2.090 3.549 ( -7.289 0.000 -0.197) 7.292 3.647 ( 2.796 0.000 -4.844) 5.593 3.909 ( 4.009 0.000 3.700) 5.456 3.980 ( -1.571 0.000 -0.841) 1.782 4.039 ( -1.884 0.000 4.669) 5.035 4.047 ( 0.105 0.000 -1.208) 1.213 4.073 ( 1.540 0.000 0.161) 1.548 4.256 ( -3.393 0.000 4.431) 5.581 4.324 ( 1.169 0.000 -3.910) 4.081 4.476 ( 9.298 0.000 -6.417) 11.298 4.591 ( -5.395 0.000 2.838) 6.096 4.714 ( 17.066 0.000 -3.412) 17.404 4.817 ( -1.400 0.000 1.467) 2.027 4.875 ( -3.116 0.000 4.068) 5.124 4.948 ( -1.884 0.000 1.385) 2.338 5.157 ( 11.010 0.000 -3.225) 11.473 5.364 ( -7.967 0.000 9.807) 12.636 5.579 ( -4.223 0.000 1.641) 4.531 5.710 ( -8.114 0.000 4.202) 9.137 5.769 ( 4.187 0.000 -1.499) 4.448 5.880 ( 8.022 0.000 -1.107) 8.098 5.908 ( -4.313 0.000 -5.842) 7.261 6.000 ( -24.411 0.000 2.690) 24.559 6.217 ( 3.776 0.000 -6.609) 7.612 6.236 ( 27.020 0.000 8.216) 28.241 6.432 ( -10.827 0.000 3.739) 11.454 6.706 ( -2.472 0.000 -4.711) 5.320 6.757 ( 10.224 0.000 -4.388) 11.126 7.155 ( 2.420 0.000 -1.553) 2.876 7.185 ( -1.868 0.000 -1.422) 2.347 7.374 ( -1.232 0.000 4.799) 4.954 7.517 ( 6.594 0.000 -1.854) 6.850 7.882 ( -2.198 0.000 2.587) 3.395 7.964 ( 2.324 0.000 -0.048) 2.324 8.007 ( -2.879 0.000 0.808) 2.990 8.105 ( 4.020 0.000 -3.445) 5.294 8.216 ( 0.314 0.000 0.375) 0.489 8.357 ( 6.699 0.000 -0.858) 6.754 8.398 ( -5.272 0.000 6.038) 8.016 8.408 ( -12.176 0.000 -1.509) 12.269 8.523 ( 13.455 0.000 -1.042) 13.495 8.573 ( 10.561 0.000 0.126) 10.562 8.928 ( -1.292 0.000 0.395) 1.351 8.951 ( 1.419 0.000 -0.749) 1.605 9.399 ( -21.570 0.000 1.310) 21.610 9.423 ( -0.964 0.000 0.608) 1.139 9.648 ( -9.288 0.000 0.201) 9.291 9.730 ( 4.866 0.000 -2.276) 5.372 10.047 ( 1.891 0.000 2.098) 2.824 10.162 ( 1.543 0.000 -1.035) 1.858 10.389 ( -13.077 0.000 -3.539) 13.547 10.405 ( 0.737 0.000 -3.056) 3.144 10.455 ( 10.844 0.000 -2.355) 11.097 10.552 ( 7.495 0.000 -3.541) 8.289 10.658 ( -6.704 0.000 4.161) 7.890 10.754 ( 1.092 0.000 2.311) 2.556 10.980 ( 0.804 0.000 7.538) 7.580 11.129 ( 0.232 0.000 4.521) 4.527 11.237 ( 1.602 0.000 -3.506) 3.855 11.355 ( -1.548 0.000 5.733) 5.938 11.492 ( 0.195 0.000 2.193) 2.201 11.542 ( -1.821 0.000 -7.776) 7.986 11.609 ( -1.590 0.000 -4.145) 4.439 11.652 ( 4.980 0.000 -2.068) 5.392 12.351 ( -1.444 0.000 0.081) 1.446 12.367 ( 0.374 0.000 -0.939) 1.011 13.128 ( 2.668 0.000 -1.576) 3.099 13.131 ( -0.932 0.000 -0.561) 1.088 13.393 ( -0.056 0.000 1.437) 1.438 13.650 ( -1.449 0.000 -7.006) 7.154 13.671 ( -0.702 0.000 10.174) 10.198 13.896 ( -10.949 0.000 -1.938) 11.119 14.183 ( 17.924 0.000 4.102) 18.387 14.310 ( -5.870 0.000 -1.598) 6.084 14.618 ( 0.702 0.000 -0.380) 0.799 14.699 ( 1.240 0.000 -2.390) 2.693 14.785 ( -1.599 0.000 4.647) 4.915 14.980 ( 3.224 0.000 -3.084) 4.462 15.285 ( -2.363 0.000 2.377) 3.352 15.451 ( 0.500 0.000 3.736) 3.770 15.486 ( 1.121 0.000 -5.563) 5.675 15.664 ( 0.065 0.000 -4.224) 4.225 16.359 ( -1.453 0.000 3.276) 3.584 16.550 ( 2.046 0.000 -3.971) 4.467 16.932 ( 0.115 0.000 0.806) 0.814 16.967 ( -1.320 0.000 -0.615) 1.457 17.001 ( 1.326 0.000 1.046) 1.689 17.056 ( -2.927 0.000 -1.332) 3.216 17.152 ( 0.769 0.000 1.975) 2.120 17.262 ( -1.953 0.000 -2.108) 2.874 17.628 ( 0.017 0.000 0.943) 0.943 17.629 ( 0.733 0.000 1.419) 1.597 17.693 ( 0.275 0.000 -0.469) 0.544 17.728 ( -1.498 0.000 -1.352) 2.018 17.860 ( 5.893 0.000 -0.589) 5.922 17.889 ( 0.058 0.000 -1.485) 1.486 17.949 ( -6.040 0.000 2.951) 6.722 18.037 ( 6.208 0.000 -0.587) 6.236 18.251 ( -1.583 0.000 1.157) 1.961 18.310 ( 0.767 0.000 -1.396) 1.593 18.683 ( -1.233 0.000 3.029) 3.270 18.749 ( 2.727 0.000 0.999) 2.904 19.131 ( 1.822 0.000 -1.194) 2.178 19.187 ( -3.816 0.000 -2.720) 4.686 19.394 ( -2.125 0.000 1.795) 2.781 19.441 ( 4.474 0.000 0.087) 4.475 19.635 ( 0.115 0.000 0.148) 0.188 19.694 ( -0.329 0.000 -2.706) 2.726 19.893 ( -1.822 0.000 0.455) 1.878 19.920 ( 7.846 0.000 -0.555) 7.865 20.357 ( -1.570 0.000 7.580) 7.741 20.699 ( 1.403 0.000 -6.383) 6.536 20.847 ( 1.440 0.000 1.688) 2.218 20.906 ( -1.786 0.000 -1.049) 2.072 21.268 ( -4.171 0.000 0.995) 4.289 21.337 ( 0.780 0.000 -1.953) 2.103 21.712 ( -1.551 0.000 2.311) 2.783 21.790 ( 0.994 0.000 -0.967) 1.387 22.726 ( -1.288 0.000 -0.402) 1.349 22.777 ( 4.492 0.000 -2.387) 5.087 22.832 ( 1.137 0.000 1.685) 2.033 22.858 ( 2.854 0.000 0.800) 2.964 23.300 ( -2.518 0.000 0.655) 2.602 23.306 ( 4.528 0.000 0.874) 4.612 23.318 ( -1.155 0.000 0.271) 1.187 23.348 ( -9.788 0.000 -0.944) 9.833 23.881 ( 1.256 0.000 3.094) 3.339 24.037 ( -1.031 0.000 -2.746) 2.933 24.698 ( -5.584 0.000 0.257) 5.589 24.738 ( 35.993 0.000 -1.332) 36.017 25.092 ( -1.998 0.000 1.101) 2.281 25.173 ( 2.137 0.000 -1.708) 2.736 25.376 ( 3.901 0.000 3.860) 5.488 25.528 ( -2.577 0.000 -2.169) 3.368 26.315 ( 0.822 0.000 -0.176) 0.840 26.325 ( -1.332 0.000 -0.676) 1.494 26.655 ( -12.252 0.000 2.092) 12.429 26.731 ( 1.537 0.000 -0.982) 1.824 27.246 ( 0.445 0.000 1.186) 1.267 27.317 ( -0.399 0.000 -1.524) 1.575 27.688 ( -1.152 0.000 2.311) 2.582 27.740 ( -12.464 0.000 0.191) 12.466 27.885 ( -0.871 0.000 0.728) 1.135 27.950 ( 0.253 0.000 -1.771) 1.789 28.058 ( -1.896 0.000 4.566) 4.944 28.335 ( 2.319 0.000 -5.923) 6.361 28.387 ( -4.535 0.000 2.401) 5.131 28.504 ( 1.990 0.000 -2.048) 2.856 28.672 ( -2.293 0.000 4.631) 5.167 28.948 ( -1.286 0.000 -6.229) 6.360 29.242 ( 3.483 0.000 3.037) 4.621 29.343 ( -3.495 0.000 -1.206) 3.697 30.134 ( 1.226 0.000 4.587) 4.748 30.363 ( -1.882 0.000 2.888) 3.448 30.422 ( 3.591 0.000 -6.880) 7.761 30.513 ( 0.372 0.000 -2.806) 2.831 30.654 ( 0.909 0.000 1.936) 2.139 30.761 ( -1.887 0.000 -1.941) 2.707 31.237 ( -1.159 0.000 6.669) 6.769 31.549 ( -0.443 0.000 -5.376) 5.394 31.884 ( -4.494 0.000 4.257) 6.190 32.064 ( 18.775 0.000 -2.555) 18.948 32.181 ( 7.099 0.000 -0.598) 7.125 32.192 ( -46.162 0.000 -1.163) 46.177 32.427 ( -0.480 0.000 1.407) 1.487 32.483 ( 0.848 0.000 -0.641) 1.064 36.897 ( -0.161 0.000 0.503) 0.528 36.931 ( 0.330 0.000 -0.827) 0.890 37.349 ( -1.787 0.000 1.695) 2.463 37.419 ( -4.161 0.000 -0.989) 4.277 39.351 ( -0.679 0.000 3.032) 3.107 39.552 ( 1.182 0.000 -5.077) 5.212 40.180 ( -5.467 0.000 6.625) 8.589 40.467 ( 27.547 0.000 -4.708) 27.946 ======================= Grid point 46 (17/55) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 7.752 0.000 23.798) 25.029 0.747 ( 17.837 0.000 14.183) 22.789 1.221 ( 21.287 0.000 -7.861) 22.692 1.389 ( 7.560 0.000 -13.006) 15.044 1.461 ( 27.870 0.000 16.004) 32.138 1.684 ( 0.126 0.000 -4.815) 4.817 1.813 ( 2.858 0.000 -1.869) 3.415 1.908 ( 4.729 0.000 -2.784) 5.488 2.004 ( -7.916 0.000 -0.387) 7.926 2.022 ( -3.748 0.000 3.367) 5.038 2.218 ( 1.357 0.000 3.387) 3.648 2.333 ( 8.496 0.000 -2.990) 9.007 2.398 ( -5.485 0.000 3.771) 6.656 2.439 ( -8.796 0.000 -0.341) 8.803 2.562 ( -7.635 0.000 -1.153) 7.722 2.626 ( -5.288 0.000 0.549) 5.316 2.663 ( -1.910 0.000 -2.652) 3.268 2.684 ( 5.586 0.000 0.636) 5.623 2.746 ( -7.015 0.000 1.093) 7.100 2.871 ( 0.649 0.000 0.207) 0.681 2.912 ( 3.469 0.000 -4.001) 5.296 2.927 ( 0.734 0.000 -5.631) 5.678 3.002 ( 0.801 0.000 -0.541) 0.967 3.026 ( 0.396 0.000 -2.111) 2.148 3.065 ( 1.391 0.000 -1.425) 1.991 3.082 ( 0.671 0.000 1.945) 2.057 3.197 ( -4.179 0.000 -1.064) 4.312 3.256 ( 3.759 0.000 1.281) 3.971 3.394 ( -1.093 0.000 1.860) 2.157 3.457 ( -0.746 0.000 -0.154) 0.761 3.551 ( 7.559 0.000 -1.705) 7.748 3.705 ( 4.562 0.000 0.266) 4.570 3.954 ( -1.601 0.000 -0.860) 1.818 3.968 ( 1.133 0.000 1.602) 1.962 3.991 ( -3.839 0.000 -4.137) 5.644 4.060 ( 0.873 0.000 5.243) 5.315 4.107 ( 1.023 0.000 0.540) 1.157 4.205 ( -2.691 0.000 2.123) 3.427 4.352 ( 2.859 0.000 -4.939) 5.707 4.425 ( -8.257 0.000 1.644) 8.419 4.532 ( 0.583 0.000 -2.427) 2.496 4.786 ( -9.470 0.000 3.014) 9.938 4.812 ( -1.532 0.000 0.919) 1.786 4.829 ( -2.307 0.000 -8.281) 8.597 4.911 ( -2.750 0.000 0.183) 2.756 5.213 ( -4.344 0.000 2.668) 5.098 5.361 ( 3.371 0.000 5.452) 6.410 5.411 ( -8.972 0.000 5.402) 10.473 5.557 ( -2.051 0.000 5.380) 5.758 5.706 ( -1.303 0.000 4.580) 4.762 5.835 ( 3.633 0.000 2.035) 4.164 5.980 ( 3.017 0.000 -1.012) 3.182 6.069 ( 5.724 0.000 3.630) 6.778 6.158 ( -9.751 0.000 -7.024) 12.017 6.268 ( 0.894 0.000 -4.892) 4.973 6.527 ( 5.737 0.000 7.004) 9.054 6.641 ( -2.332 0.000 -2.027) 3.090 6.905 ( -7.448 0.000 -7.757) 10.753 7.143 ( 6.047 0.000 -2.480) 6.536 7.205 ( 1.724 0.000 0.145) 1.730 7.344 ( -2.911 0.000 2.010) 3.538 7.552 ( -0.932 0.000 -2.509) 2.677 7.787 ( -7.007 0.000 2.008) 7.289 7.914 ( -2.372 0.000 1.171) 2.645 7.951 ( -1.435 0.000 -2.867) 3.206 8.085 ( -2.526 0.000 -2.494) 3.550 8.217 ( -4.084 0.000 -2.368) 4.721 8.246 ( 3.806 0.000 2.514) 4.561 8.362 ( 0.812 0.000 2.225) 2.368 8.577 ( 12.492 0.000 0.747) 12.514 8.687 ( 0.992 0.000 -3.850) 3.976 8.799 ( 9.374 0.000 -2.870) 9.804 8.845 ( -9.383 0.000 7.000) 11.707 8.951 ( -1.641 0.000 1.163) 2.011 9.180 ( 3.936 0.000 5.695) 6.923 9.454 ( 2.747 0.000 0.948) 2.906 9.599 ( -2.742 0.000 -1.670) 3.210 9.716 ( -9.145 0.000 -0.421) 9.154 10.094 ( 2.452 0.000 4.224) 4.884 10.160 ( -3.886 0.000 -2.257) 4.494 10.268 ( 9.079 0.000 -1.835) 9.262 10.379 ( -0.003 0.000 -2.593) 2.593 10.541 ( -1.402 0.000 -2.410) 2.789 10.619 ( 5.414 0.000 -1.776) 5.698 10.711 ( 2.328 0.000 0.577) 2.398 10.872 ( 8.448 0.000 0.909) 8.497 10.942 ( -5.085 0.000 7.817) 9.325 11.097 ( -4.167 0.000 5.106) 6.591 11.128 ( -13.794 0.000 -0.283) 13.797 11.252 ( -0.643 0.000 -3.619) 3.675 11.461 ( -3.892 0.000 0.927) 4.001 11.595 ( 3.257 0.000 -2.103) 3.877 11.606 ( 7.898 0.000 -2.896) 8.412 11.704 ( 1.548 0.000 -4.487) 4.746 12.217 ( -12.591 0.000 -0.915) 12.625 12.231 ( -9.566 0.000 -0.685) 9.590 13.201 ( 1.891 0.000 2.214) 2.912 13.234 ( 8.510 0.000 -2.238) 8.799 13.487 ( 8.959 0.000 -0.387) 8.968 13.652 ( 3.666 0.000 -4.684) 5.949 13.770 ( 4.061 0.000 13.445) 14.045 13.773 ( -2.093 0.000 0.215) 2.104 14.171 ( -6.493 0.000 -5.811) 8.713 14.426 ( 4.445 0.000 1.917) 4.841 14.553 ( -7.052 0.000 0.021) 7.052 14.676 ( -0.661 0.000 -1.896) 2.008 14.689 ( -8.105 0.000 5.289) 9.677 14.948 ( -4.063 0.000 -7.198) 8.265 15.272 ( 2.100 0.000 1.108) 2.374 15.508 ( 4.458 0.000 -5.621) 7.175 15.528 ( 3.157 0.000 4.766) 5.717 15.716 ( 3.941 0.000 -5.353) 6.647 16.367 ( 1.051 0.000 2.425) 2.643 16.572 ( 2.029 0.000 -3.159) 3.754 16.887 ( -7.645 0.000 0.495) 7.661 16.935 ( -7.081 0.000 -0.008) 7.081 17.043 ( 8.279 0.000 -0.589) 8.300 17.076 ( 3.570 0.000 1.555) 3.894 17.203 ( 5.599 0.000 1.692) 5.849 17.236 ( 0.429 0.000 -1.288) 1.357 17.647 ( 1.100 0.000 1.028) 1.506 17.664 ( 2.206 0.000 1.439) 2.634 17.690 ( -2.032 0.000 -0.333) 2.059 17.706 ( 0.543 0.000 -0.025) 0.543 17.786 ( -4.753 0.000 -1.595) 5.013 17.838 ( -2.269 0.000 -1.314) 2.622 18.012 ( 5.462 0.000 1.590) 5.689 18.151 ( -3.284 0.000 1.216) 3.502 18.274 ( 7.819 0.000 -3.138) 8.425 18.277 ( -3.001 0.000 -0.746) 3.093 18.694 ( 0.969 0.000 1.617) 1.885 18.805 ( 1.956 0.000 0.946) 2.173 19.051 ( -6.938 0.000 -2.095) 7.247 19.107 ( -4.486 0.000 0.848) 4.565 19.317 ( -3.276 0.000 0.210) 3.282 19.498 ( 1.757 0.000 -0.681) 1.884 19.709 ( 5.074 0.000 0.720) 5.125 19.748 ( 5.582 0.000 -2.721) 6.210 19.851 ( -1.852 0.000 -0.190) 1.861 20.018 ( 1.643 0.000 -3.264) 3.655 20.366 ( -0.980 0.000 8.103) 8.162 20.711 ( 2.784 0.000 -6.715) 7.269 20.872 ( -0.956 0.000 -1.291) 1.607 20.904 ( 2.905 0.000 2.486) 3.823 21.248 ( 0.445 0.000 1.139) 1.223 21.328 ( -1.309 0.000 -1.538) 2.019 21.704 ( -0.076 0.000 2.160) 2.161 21.816 ( 1.761 0.000 -0.543) 1.843 22.703 ( -0.720 0.000 -0.053) 0.722 22.790 ( 0.177 0.000 -2.719) 2.725 22.878 ( 2.210 0.000 0.746) 2.333 22.957 ( 4.681 0.000 -4.142) 6.250 23.155 ( -7.640 0.000 5.907) 9.658 23.267 ( -1.623 0.000 1.424) 2.159 23.314 ( -0.054 0.000 1.404) 1.406 23.407 ( 4.764 0.000 1.107) 4.890 23.948 ( 4.171 0.000 4.430) 6.084 24.031 ( 2.061 0.000 -4.276) 4.747 24.476 ( -14.116 0.000 -4.802) 14.911 24.881 ( -10.276 0.000 -1.181) 10.344 25.088 ( 0.077 0.000 -1.385) 1.387 25.229 ( 3.774 0.000 -1.122) 3.937 25.267 ( -7.246 0.000 9.388) 11.859 25.429 ( -4.261 0.000 -3.587) 5.569 26.307 ( -0.175 0.000 -0.346) 0.387 26.357 ( 2.471 0.000 -0.071) 2.472 26.790 ( 2.463 0.000 1.279) 2.775 27.057 ( 21.987 0.000 -16.035) 27.213 27.299 ( 6.385 0.000 -2.654) 6.914 27.344 ( 4.256 0.000 -2.277) 4.826 27.750 ( 4.974 0.000 6.167) 7.923 27.766 ( 5.888 0.000 2.946) 6.583 27.890 ( 1.342 0.000 1.393) 1.934 27.891 ( -3.728 0.000 -1.745) 4.116 28.047 ( -2.109 0.000 4.004) 4.525 28.350 ( 3.538 0.000 -4.253) 5.532 28.430 ( 6.343 0.000 -0.768) 6.390 28.628 ( 9.999 0.000 -0.504) 10.012 28.722 ( 1.489 0.000 3.352) 3.668 28.899 ( -0.763 0.000 -6.599) 6.643 29.259 ( -0.967 0.000 -4.733) 4.831 29.317 ( 2.458 0.000 2.980) 3.863 30.169 ( 0.445 0.000 -1.368) 1.438 30.341 ( -1.727 0.000 6.193) 6.429 30.364 ( -10.501 0.000 -2.294) 10.749 30.486 ( 3.189 0.000 -4.390) 5.425 30.656 ( -2.616 0.000 4.515) 5.218 30.770 ( 3.723 0.000 -3.571) 5.159 31.288 ( 2.613 0.000 5.867) 6.423 31.387 ( -13.277 0.000 5.568) 14.397 31.692 ( -3.867 0.000 6.203) 7.310 31.749 ( -9.214 0.000 0.344) 9.220 32.287 ( 1.018 0.000 5.769) 5.858 32.351 ( 10.323 0.000 -11.910) 15.761 32.429 ( -0.026 0.000 1.735) 1.735 32.527 ( 3.690 0.000 -1.258) 3.899 36.898 ( -0.009 0.000 0.488) 0.488 36.934 ( 0.248 0.000 -0.763) 0.803 37.397 ( 4.922 0.000 3.353) 5.955 37.577 ( 11.671 0.000 -5.093) 12.734 39.351 ( -0.799 0.000 3.009) 3.113 39.544 ( 0.476 0.000 -4.876) 4.899 40.113 ( -2.819 0.000 3.683) 4.638 40.831 ( 11.879 0.000 -17.350) 21.027 ======================= Grid point 47 (18/55) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 18.949 0.000 14.704) 23.985 1.158 ( 16.571 0.000 5.648) 17.507 1.431 ( -13.342 0.000 1.416) 13.417 1.452 ( 2.132 0.000 -0.324) 2.156 1.579 ( 18.745 0.000 -13.286) 22.976 1.606 ( -13.899 0.000 -1.179) 13.949 1.859 ( -2.078 0.000 -8.904) 9.144 1.909 ( -6.714 0.000 -1.045) 6.795 2.032 ( 6.169 0.000 -0.041) 6.169 2.097 ( 5.220 0.000 0.240) 5.225 2.258 ( -0.507 0.000 4.849) 4.876 2.315 ( -3.292 0.000 0.046) 3.292 2.364 ( -9.289 0.000 3.914) 10.080 2.472 ( 7.175 0.000 6.226) 9.499 2.536 ( 10.575 0.000 -0.219) 10.577 2.589 ( 6.188 0.000 3.287) 7.007 2.596 ( -3.726 0.000 -2.709) 4.607 2.631 ( -5.547 0.000 2.955) 6.285 2.776 ( -1.131 0.000 -2.692) 2.920 2.822 ( 0.265 0.000 0.247) 0.362 2.895 ( 0.009 0.000 -4.077) 4.077 2.907 ( 1.278 0.000 -4.236) 4.425 2.969 ( -1.775 0.000 -1.810) 2.535 3.032 ( 0.893 0.000 -1.856) 2.059 3.113 ( 1.157 0.000 -1.161) 1.639 3.139 ( 0.060 0.000 3.782) 3.782 3.159 ( 1.134 0.000 -1.690) 2.035 3.289 ( -9.372 0.000 5.555) 10.895 3.347 ( 4.678 0.000 -3.625) 5.918 3.492 ( 2.378 0.000 2.511) 3.458 3.596 ( 0.058 0.000 -6.058) 6.058 3.810 ( -1.017 0.000 -2.329) 2.542 3.884 ( 2.688 0.000 -0.540) 2.742 3.974 ( 2.174 0.000 2.854) 3.588 3.990 ( 1.212 0.000 -0.793) 1.448 4.070 ( -2.535 0.000 3.070) 3.982 4.117 ( -1.359 0.000 2.941) 3.240 4.186 ( 0.097 0.000 -0.056) 0.112 4.277 ( -3.333 0.000 2.936) 4.442 4.468 ( 7.266 0.000 -4.904) 8.766 4.568 ( -2.835 0.000 -2.397) 3.713 4.579 ( -3.115 0.000 5.527) 6.344 4.685 ( -6.181 0.000 -7.315) 9.577 4.738 ( -5.810 0.000 -0.597) 5.841 4.853 ( -1.392 0.000 3.833) 4.078 5.127 ( -6.086 0.000 5.424) 8.152 5.372 ( -1.409 0.000 2.079) 2.512 5.447 ( 3.604 0.000 1.983) 4.113 5.591 ( 1.904 0.000 4.802) 5.166 5.800 ( 7.334 0.000 2.990) 7.920 5.855 ( -11.075 0.000 -7.971) 13.645 5.927 ( 3.027 0.000 3.533) 4.652 6.016 ( 0.908 0.000 -1.234) 1.532 6.194 ( -4.632 0.000 -2.535) 5.281 6.272 ( 7.958 0.000 -0.466) 7.972 6.592 ( -3.285 0.000 1.183) 3.491 6.619 ( 1.157 0.000 -0.519) 1.268 6.631 ( -9.989 0.000 -0.622) 10.008 7.157 ( -3.820 0.000 2.467) 4.547 7.252 ( 3.596 0.000 -1.550) 3.916 7.395 ( 5.483 0.000 -0.309) 5.491 7.490 ( -3.481 0.000 -0.843) 3.582 7.665 ( -5.380 0.000 2.406) 5.894 7.892 ( -2.039 0.000 -5.466) 5.835 7.963 ( 3.749 0.000 2.259) 4.377 8.095 ( 3.812 0.000 -3.811) 5.391 8.202 ( 1.628 0.000 0.614) 1.740 8.321 ( 0.819 0.000 1.247) 1.492 8.426 ( 3.111 0.000 2.942) 4.282 8.610 ( -7.460 0.000 7.324) 10.454 8.776 ( 5.074 0.000 -3.867) 6.380 8.811 ( 6.298 0.000 -2.176) 6.663 8.868 ( 0.665 0.000 -2.450) 2.538 8.880 ( -5.707 0.000 0.695) 5.749 9.267 ( -0.385 0.000 4.894) 4.909 9.456 ( -5.637 0.000 0.265) 5.643 9.526 ( -2.193 0.000 -0.082) 2.195 9.530 ( 0.496 0.000 -3.077) 3.117 10.174 ( 1.525 0.000 7.604) 7.756 10.201 ( 4.698 0.000 0.027) 4.698 10.413 ( 3.806 0.000 -4.615) 5.982 10.439 ( 8.258 0.000 -5.586) 9.970 10.506 ( -0.963 0.000 -4.011) 4.125 10.641 ( -4.234 0.000 4.632) 6.276 10.696 ( 0.855 0.000 1.362) 1.608 10.833 ( -12.496 0.000 -1.006) 12.536 10.903 ( -3.405 0.000 0.813) 3.501 10.967 ( 1.340 0.000 2.634) 2.955 11.055 ( -2.774 0.000 6.153) 6.749 11.313 ( 3.667 0.000 -2.172) 4.262 11.474 ( 8.886 0.000 -6.805) 11.192 11.663 ( -2.925 0.000 -5.898) 6.583 11.715 ( 8.822 0.000 -1.581) 8.963 11.750 ( 6.946 0.000 1.340) 7.074 11.944 ( -14.150 0.000 0.272) 14.153 12.036 ( -8.164 0.000 -1.048) 8.231 13.193 ( -3.491 0.000 4.140) 5.415 13.365 ( 6.407 0.000 -5.187) 8.243 13.643 ( 3.752 0.000 0.130) 3.754 13.686 ( -1.856 0.000 1.392) 2.320 13.803 ( 4.848 0.000 -0.448) 4.869 13.940 ( 7.173 0.000 10.508) 12.722 14.010 ( -6.374 0.000 -1.863) 6.641 14.387 ( -4.946 0.000 -0.191) 4.949 14.417 ( -3.948 0.000 0.597) 3.992 14.593 ( -4.148 0.000 5.443) 6.844 14.689 ( 0.242 0.000 -3.462) 3.471 14.833 ( -1.278 0.000 -7.731) 7.835 15.368 ( 5.518 0.000 1.774) 5.796 15.567 ( -2.103 0.000 4.464) 4.934 15.615 ( 6.433 0.000 -3.431) 7.291 15.708 ( -0.884 0.000 -5.401) 5.473 16.427 ( 3.419 0.000 1.769) 3.850 16.604 ( 2.141 0.000 -3.472) 4.079 16.728 ( -6.839 0.000 1.266) 6.955 16.790 ( -5.441 0.000 -0.989) 5.530 17.092 ( -1.200 0.000 2.145) 2.458 17.153 ( 2.106 0.000 -1.137) 2.393 17.311 ( 6.504 0.000 0.198) 6.507 17.363 ( 6.044 0.000 0.497) 6.064 17.615 ( -3.470 0.000 -0.124) 3.472 17.635 ( -3.164 0.000 -1.007) 3.321 17.689 ( 0.895 0.000 1.514) 1.758 17.732 ( 1.283 0.000 0.972) 1.609 17.797 ( 3.716 0.000 0.475) 3.746 17.847 ( 3.577 0.000 -2.036) 4.115 18.026 ( -7.618 0.000 1.644) 7.793 18.046 ( -2.321 0.000 0.404) 2.356 18.245 ( 0.112 0.000 1.447) 1.451 18.401 ( 5.421 0.000 -4.414) 6.991 18.718 ( 0.956 0.000 0.344) 1.016 18.802 ( -3.094 0.000 -0.371) 3.117 18.948 ( -2.287 0.000 -0.100) 2.289 19.011 ( -2.977 0.000 -0.722) 3.063 19.313 ( 1.267 0.000 3.366) 3.597 19.515 ( 0.446 0.000 -1.947) 1.997 19.787 ( 1.963 0.000 0.861) 2.143 19.831 ( -0.175 0.000 0.851) 0.868 19.835 ( 3.808 0.000 -2.800) 4.727 19.996 ( -1.532 0.000 -2.815) 3.205 20.380 ( -1.835 0.000 7.485) 7.707 20.733 ( 2.622 0.000 -7.484) 7.930 20.869 ( 1.095 0.000 0.636) 1.266 20.952 ( -0.051 0.000 1.589) 1.590 21.254 ( -0.315 0.000 0.389) 0.501 21.284 ( -1.195 0.000 -1.437) 1.869 21.726 ( 0.607 0.000 2.982) 3.043 21.844 ( 1.121 0.000 -0.714) 1.329 22.699 ( 0.193 0.000 0.432) 0.473 22.778 ( 0.030 0.000 -3.403) 3.404 22.910 ( 0.635 0.000 0.065) 0.639 22.964 ( -2.190 0.000 -0.813) 2.336 23.118 ( 1.081 0.000 3.153) 3.333 23.241 ( -1.560 0.000 0.523) 1.646 23.332 ( 0.606 0.000 3.298) 3.353 23.475 ( 1.304 0.000 -0.435) 1.375 24.063 ( 0.194 0.000 1.086) 1.103 24.074 ( 4.391 0.000 -5.589) 7.107 24.225 ( -2.620 0.000 0.303) 2.637 24.617 ( -13.962 0.000 0.416) 13.968 25.099 ( 1.532 0.000 0.572) 1.636 25.231 ( -1.445 0.000 4.306) 4.542 25.286 ( 1.280 0.000 -2.237) 2.577 25.357 ( -0.450 0.000 -2.678) 2.716 26.309 ( 0.254 0.000 0.289) 0.384 26.375 ( -0.473 0.000 -0.906) 1.022 26.847 ( 2.732 0.000 3.475) 4.421 27.210 ( 4.285 0.000 -1.699) 4.610 27.360 ( 0.247 0.000 -12.341) 12.343 27.406 ( 2.154 0.000 -4.328) 4.834 27.799 ( -0.358 0.000 2.340) 2.367 27.816 ( -2.799 0.000 2.814) 3.969 27.897 ( 3.204 0.000 8.859) 9.420 27.994 ( 5.370 0.000 2.314) 5.847 28.014 ( -1.883 0.000 2.179) 2.880 28.410 ( 3.130 0.000 -3.302) 4.550 28.571 ( 5.083 0.000 -2.441) 5.639 28.727 ( 0.550 0.000 9.066) 9.082 28.789 ( 2.267 0.000 -5.457) 5.909 28.892 ( 5.300 0.000 0.943) 5.384 29.281 ( 4.655 0.000 -9.306) 10.405 29.349 ( -0.486 0.000 -2.298) 2.348 30.130 ( -9.174 0.000 0.353) 9.180 30.151 ( 0.048 0.000 -2.995) 2.996 30.335 ( -3.462 0.000 7.766) 8.503 30.542 ( 3.210 0.000 -3.605) 4.827 30.637 ( -0.643 0.000 6.137) 6.170 30.844 ( 4.705 0.000 -3.892) 6.106 31.256 ( -3.611 0.000 4.041) 5.419 31.347 ( -0.271 0.000 3.279) 3.290 31.587 ( -4.615 0.000 -0.174) 4.618 31.692 ( 0.058 0.000 -0.460) 0.464 32.274 ( -4.108 0.000 5.098) 6.547 32.431 ( 3.849 0.000 -8.370) 9.212 32.439 ( -0.258 0.000 2.824) 2.836 32.614 ( 6.026 0.000 -2.533) 6.537 36.901 ( -0.020 0.000 0.507) 0.507 36.934 ( 0.110 0.000 -0.742) 0.751 37.510 ( 2.549 0.000 6.201) 6.705 37.742 ( 7.441 0.000 -3.204) 8.102 39.349 ( -0.771 0.000 2.925) 3.025 39.533 ( 0.778 0.000 -4.438) 4.505 40.124 ( 1.413 0.000 6.125) 6.286 40.862 ( 1.171 0.000 -16.862) 16.902 ======================= Grid point 48 (19/55) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -20.242 0.000 11.281) 23.173 1.107 ( -25.759 0.000 6.109) 26.473 1.397 ( 4.124 0.000 1.784) 4.493 1.427 ( 12.050 0.000 -0.230) 12.052 1.721 ( -0.366 0.000 -9.230) 9.237 1.733 ( -5.284 0.000 -8.042) 9.622 1.808 ( 11.589 0.000 -0.748) 11.613 1.866 ( 10.764 0.000 -6.689) 12.673 1.988 ( -9.127 0.000 3.041) 9.620 2.074 ( -6.649 0.000 -0.921) 6.713 2.144 ( -10.169 0.000 2.350) 10.437 2.320 ( 2.138 0.000 0.629) 2.229 2.365 ( 1.749 0.000 8.762) 8.935 2.406 ( -5.660 0.000 2.843) 6.334 2.496 ( -4.394 0.000 -1.829) 4.759 2.603 ( 3.065 0.000 4.957) 5.828 2.662 ( 2.023 0.000 -3.554) 4.090 2.715 ( -0.254 0.000 1.469) 1.491 2.760 ( 0.790 0.000 2.495) 2.617 2.835 ( 0.502 0.000 -2.980) 3.022 2.903 ( -0.659 0.000 -6.337) 6.371 2.939 ( 4.290 0.000 -0.496) 4.318 3.013 ( -2.436 0.000 -4.356) 4.991 3.030 ( -2.051 0.000 -0.607) 2.139 3.068 ( -2.983 0.000 -1.813) 3.491 3.111 ( 3.736 0.000 -1.869) 4.177 3.153 ( 4.009 0.000 5.352) 6.687 3.302 ( 5.782 0.000 7.474) 9.450 3.340 ( -3.027 0.000 -4.269) 5.233 3.555 ( 2.493 0.000 4.128) 4.823 3.578 ( -0.251 0.000 -5.546) 5.552 3.719 ( -3.409 0.000 -5.922) 6.833 3.947 ( 2.743 0.000 1.535) 3.143 3.987 ( -3.363 0.000 -3.158) 4.614 4.030 ( 0.390 0.000 1.812) 1.853 4.057 ( 1.886 0.000 0.019) 1.887 4.084 ( -2.605 0.000 4.513) 5.211 4.236 ( 2.850 0.000 1.127) 3.065 4.291 ( 3.349 0.000 8.507) 9.142 4.370 ( -8.993 0.000 -3.324) 9.587 4.531 ( -3.388 0.000 -0.473) 3.421 4.547 ( -2.271 0.000 -5.257) 5.727 4.691 ( 7.466 0.000 -3.818) 8.386 4.759 ( 8.036 0.000 0.384) 8.046 4.924 ( 4.964 0.000 6.370) 8.075 5.017 ( -6.885 0.000 2.155) 7.215 5.341 ( -1.626 0.000 5.265) 5.511 5.513 ( 1.188 0.000 2.834) 3.073 5.648 ( 1.268 0.000 4.926) 5.086 5.661 ( -3.596 0.000 -6.856) 7.742 5.908 ( -1.512 0.000 6.972) 7.134 5.937 ( -3.022 0.000 -3.203) 4.404 6.003 ( -1.216 0.000 -1.568) 1.984 6.124 ( 1.422 0.000 -4.011) 4.255 6.435 ( 6.368 0.000 4.692) 7.910 6.465 ( -3.284 0.000 -5.346) 6.274 6.590 ( 3.054 0.000 -0.197) 3.060 6.667 ( 3.168 0.000 0.807) 3.270 7.150 ( 0.917 0.000 2.055) 2.250 7.281 ( 1.136 0.000 -0.817) 1.399 7.424 ( -3.051 0.000 -2.906) 4.214 7.432 ( -2.383 0.000 1.459) 2.794 7.668 ( 4.655 0.000 3.099) 5.592 7.854 ( 1.196 0.000 -5.960) 6.078 7.974 ( -3.815 0.000 2.341) 4.476 8.098 ( -2.878 0.000 -3.811) 4.775 8.246 ( 1.997 0.000 2.581) 3.263 8.262 ( -3.981 0.000 -2.005) 4.458 8.491 ( -0.011 0.000 7.269) 7.269 8.545 ( -2.765 0.000 8.034) 8.497 8.663 ( -8.928 0.000 -6.013) 10.764 8.801 ( 0.194 0.000 -4.267) 4.272 8.904 ( 0.252 0.000 -1.657) 1.676 9.042 ( 13.515 0.000 -3.471) 13.954 9.223 ( -2.756 0.000 8.337) 8.781 9.471 ( 4.106 0.000 1.440) 4.351 9.532 ( 2.043 0.000 0.030) 2.044 9.540 ( 2.083 0.000 -4.287) 4.766 10.179 ( -4.881 0.000 5.359) 7.249 10.246 ( -0.838 0.000 2.457) 2.596 10.339 ( -1.481 0.000 -6.227) 6.401 10.476 ( -12.768 0.000 -2.064) 12.933 10.532 ( 2.256 0.000 -6.854) 7.216 10.589 ( -0.339 0.000 3.746) 3.761 10.717 ( 11.462 0.000 4.196) 12.206 10.780 ( 4.639 0.000 -2.472) 5.256 10.958 ( -2.649 0.000 0.519) 2.700 10.983 ( 7.098 0.000 3.342) 7.845 11.013 ( -3.876 0.000 5.061) 6.375 11.352 ( 1.840 0.000 0.660) 1.955 11.540 ( -7.253 0.000 -7.110) 10.157 11.557 ( -3.387 0.000 -7.681) 8.394 11.681 ( -3.227 0.000 -0.379) 3.249 11.813 ( -1.902 0.000 -0.225) 1.916 11.970 ( 12.082 0.000 1.319) 12.154 12.014 ( 9.077 0.000 -2.115) 9.320 13.135 ( -3.152 0.000 2.812) 4.224 13.423 ( 0.041 0.000 -4.137) 4.137 13.608 ( -5.952 0.000 1.067) 6.047 13.617 ( -3.301 0.000 1.665) 3.697 13.856 ( -7.717 0.000 1.911) 7.950 13.866 ( 0.714 0.000 1.373) 1.547 14.203 ( 11.580 0.000 8.043) 14.099 14.344 ( -0.073 0.000 -2.829) 2.830 14.463 ( 7.438 0.000 0.939) 7.497 14.559 ( -1.949 0.000 5.415) 5.754 14.617 ( -1.748 0.000 -6.490) 6.721 14.860 ( 5.277 0.000 -6.080) 8.051 15.441 ( -3.293 0.000 5.034) 6.015 15.497 ( -2.845 0.000 1.194) 3.086 15.576 ( -3.841 0.000 -6.507) 7.556 15.755 ( 3.341 0.000 -2.549) 4.203 16.441 ( -3.290 0.000 2.591) 4.188 16.566 ( -2.574 0.000 -4.082) 4.826 16.736 ( 6.992 0.000 1.313) 7.114 16.805 ( 6.266 0.000 -1.234) 6.386 17.081 ( -0.711 0.000 1.615) 1.764 17.175 ( 0.878 0.000 -0.623) 1.076 17.330 ( -8.253 0.000 -0.769) 8.289 17.338 ( -5.285 0.000 1.589) 5.519 17.607 ( 2.193 0.000 -0.127) 2.197 17.639 ( 3.934 0.000 -1.046) 4.071 17.699 ( -0.321 0.000 1.548) 1.581 17.731 ( -1.854 0.000 1.191) 2.204 17.782 ( -4.660 0.000 -0.369) 4.674 17.861 ( -2.531 0.000 -1.487) 2.936 18.007 ( 5.183 0.000 1.083) 5.294 18.059 ( 3.888 0.000 1.020) 4.019 18.242 ( -1.249 0.000 1.345) 1.835 18.413 ( -2.783 0.000 -4.566) 5.348 18.725 ( -2.236 0.000 -1.512) 2.699 18.733 ( -0.495 0.000 1.624) 1.698 18.975 ( 5.198 0.000 0.669) 5.241 19.006 ( 2.271 0.000 -1.387) 2.661 19.363 ( 1.223 0.000 4.357) 4.525 19.491 ( -1.830 0.000 -3.172) 3.662 19.774 ( -2.877 0.000 0.329) 2.896 19.852 ( -1.107 0.000 -2.399) 2.642 19.863 ( 1.809 0.000 2.314) 2.937 19.947 ( -1.624 0.000 -4.222) 4.523 20.363 ( -3.109 0.000 7.449) 8.072 20.735 ( 1.127 0.000 -7.484) 7.568 20.906 ( -3.961 0.000 -0.029) 3.961 20.914 ( 2.030 0.000 2.511) 3.229 21.251 ( 0.478 0.000 -0.017) 0.478 21.294 ( 2.165 0.000 -1.068) 2.414 21.741 ( -0.696 0.000 3.375) 3.446 21.844 ( -0.800 0.000 -1.122) 1.378 22.713 ( 0.815 0.000 0.825) 1.160 22.757 ( -0.488 0.000 -3.920) 3.950 22.898 ( -1.917 0.000 0.153) 1.923 22.911 ( -2.698 0.000 0.670) 2.780 23.181 ( 3.387 0.000 3.393) 4.794 23.218 ( -0.307 0.000 -0.813) 0.869 23.360 ( 0.173 0.000 4.413) 4.416 23.448 ( -3.186 0.000 -1.460) 3.505 23.931 ( -6.007 0.000 -0.880) 6.071 24.123 ( 1.937 0.000 -4.318) 4.732 24.387 ( -7.433 0.000 -4.712) 8.800 24.427 ( 12.919 0.000 6.340) 14.391 25.130 ( 0.039 0.000 2.878) 2.879 25.236 ( -2.892 0.000 -3.803) 4.777 25.240 ( 0.865 0.000 2.443) 2.592 25.403 ( 4.528 0.000 -1.618) 4.809 26.323 ( 0.978 0.000 0.976) 1.382 26.355 ( -0.534 0.000 -1.595) 1.682 26.889 ( -2.291 0.000 5.323) 5.795 27.221 ( -6.187 0.000 -11.208) 12.802 27.269 ( 1.413 0.000 -0.828) 1.637 27.384 ( -1.116 0.000 -4.940) 5.065 27.791 ( -2.028 0.000 5.338) 5.710 27.811 ( 0.675 0.000 0.251) 0.720 27.901 ( -3.329 0.000 3.193) 4.613 28.047 ( 1.744 0.000 4.684) 4.998 28.096 ( 3.974 0.000 1.526) 4.257 28.420 ( -0.551 0.000 -3.839) 3.878 28.531 ( -4.373 0.000 0.935) 4.472 28.717 ( -4.967 0.000 -4.598) 6.769 28.933 ( 10.972 0.000 9.008) 14.196 29.016 ( 3.928 0.000 1.458) 4.190 29.244 ( -6.589 0.000 -6.434) 9.209 29.283 ( 0.035 0.000 -11.648) 11.648 30.113 ( 7.201 0.000 -0.552) 7.222 30.187 ( 5.088 0.000 -1.597) 5.333 30.262 ( -6.996 0.000 7.130) 9.989 30.553 ( -0.699 0.000 -2.591) 2.684 30.680 ( 0.897 0.000 4.362) 4.454 30.875 ( -0.312 0.000 -3.139) 3.154 31.268 ( 3.126 0.000 7.651) 8.265 31.310 ( -2.691 0.000 0.751) 2.793 31.629 ( 7.105 0.000 1.966) 7.372 31.667 ( -1.789 0.000 -2.390) 2.985 32.200 ( -4.830 0.000 2.443) 5.412 32.441 ( -0.796 0.000 2.447) 2.573 32.450 ( 1.553 0.000 -4.802) 5.047 32.733 ( 7.329 0.000 -3.760) 8.237 36.902 ( -0.151 0.000 0.557) 0.577 36.931 ( 0.060 0.000 -0.767) 0.770 37.521 ( -4.122 0.000 5.592) 6.947 37.848 ( 4.591 0.000 -2.895) 5.428 39.349 ( -0.663 0.000 2.908) 2.982 39.534 ( 1.456 0.000 -4.393) 4.628 40.196 ( 1.017 0.000 10.095) 10.146 40.731 ( -5.664 0.000 -22.638) 23.336 ======================= Grid point 49 (20/55) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -23.841 0.000 12.021) 26.700 0.728 ( -18.819 0.000 17.143) 25.457 1.192 ( -24.806 0.000 8.938) 26.367 1.380 ( -27.477 0.000 1.986) 27.549 1.519 ( -10.510 0.000 -14.638) 18.021 1.667 ( 10.813 0.000 -1.148) 10.874 1.743 ( -2.256 0.000 -3.602) 4.250 1.889 ( -7.813 0.000 -2.182) 8.112 2.046 ( 4.098 0.000 5.791) 7.094 2.047 ( 7.185 0.000 1.424) 7.325 2.092 ( 1.641 0.000 -0.805) 1.828 2.308 ( -3.858 0.000 -1.748) 4.236 2.437 ( 4.142 0.000 3.391) 5.353 2.498 ( 8.835 0.000 1.241) 8.922 2.502 ( 5.930 0.000 2.161) 6.311 2.672 ( 1.121 0.000 -2.588) 2.821 2.685 ( 1.104 0.000 3.215) 3.399 2.718 ( -0.645 0.000 1.600) 1.725 2.764 ( -0.038 0.000 0.101) 0.108 2.812 ( -1.822 0.000 -6.020) 6.290 2.890 ( 1.793 0.000 -2.982) 3.480 2.927 ( -0.861 0.000 -6.510) 6.566 3.008 ( 1.195 0.000 0.926) 1.511 3.009 ( -2.887 0.000 0.007) 2.887 3.045 ( -0.791 0.000 -1.571) 1.759 3.052 ( 1.930 0.000 -0.228) 1.944 3.249 ( -3.543 0.000 -1.851) 3.997 3.307 ( 2.892 0.000 0.743) 2.986 3.442 ( 1.756 0.000 1.246) 2.153 3.488 ( -5.629 0.000 -1.860) 5.929 3.622 ( 0.431 0.000 5.481) 5.498 3.651 ( -0.417 0.000 -6.650) 6.663 3.879 ( -3.532 0.000 -3.571) 5.023 4.012 ( 2.658 0.000 0.535) 2.711 4.034 ( -2.643 0.000 -0.958) 2.811 4.059 ( -0.103 0.000 0.828) 0.834 4.101 ( -1.857 0.000 5.694) 5.989 4.220 ( 3.208 0.000 0.724) 3.288 4.263 ( 0.439 0.000 2.850) 2.884 4.359 ( -2.857 0.000 0.981) 3.020 4.525 ( 2.979 0.000 -4.769) 5.623 4.541 ( 5.507 0.000 5.540) 7.811 4.887 ( 3.837 0.000 -0.641) 3.890 4.887 ( 0.119 0.000 0.318) 0.340 4.917 ( 7.787 0.000 -1.062) 7.860 4.966 ( -3.350 0.000 6.000) 6.872 5.481 ( -5.634 0.000 3.365) 6.562 5.483 ( 12.208 0.000 11.361) 16.676 5.666 ( 5.160 0.000 -3.502) 6.236 5.700 ( 2.601 0.000 10.033) 10.364 5.845 ( -5.562 0.000 8.137) 9.856 5.851 ( -1.663 0.000 -5.532) 5.777 5.954 ( -2.548 0.000 -2.530) 3.591 6.169 ( 4.158 0.000 -5.614) 6.986 6.328 ( -7.413 0.000 -3.256) 8.097 6.521 ( -1.310 0.000 7.334) 7.451 6.734 ( 2.198 0.000 -0.328) 2.222 6.764 ( 9.104 0.000 -9.194) 12.938 7.151 ( -0.778 0.000 -2.314) 2.442 7.283 ( -9.228 0.000 -5.146) 10.566 7.347 ( 6.341 0.000 2.615) 6.859 7.385 ( -2.750 0.000 4.426) 5.211 7.808 ( 6.727 0.000 2.983) 7.358 7.880 ( 3.900 0.000 -2.582) 4.677 7.958 ( 2.899 0.000 2.819) 4.043 8.046 ( 1.900 0.000 -3.869) 4.310 8.189 ( -1.868 0.000 -2.119) 2.824 8.315 ( 3.226 0.000 1.948) 3.768 8.459 ( -6.160 0.000 -4.387) 7.562 8.484 ( -4.727 0.000 10.540) 11.551 8.500 ( -5.955 0.000 3.349) 6.832 8.718 ( -10.558 0.000 -4.339) 11.415 8.907 ( 2.749 0.000 -0.601) 2.814 9.007 ( -6.396 0.000 -0.744) 6.439 9.441 ( 6.683 0.000 5.397) 8.590 9.472 ( -2.900 0.000 0.671) 2.977 9.630 ( 6.951 0.000 -5.655) 8.960 9.671 ( 15.258 0.000 1.780) 15.361 10.073 ( -6.126 0.000 -0.339) 6.135 10.233 ( -7.624 0.000 -2.337) 7.974 10.288 ( 4.434 0.000 3.302) 5.529 10.334 ( 3.091 0.000 -6.380) 7.089 10.545 ( -4.699 0.000 4.712) 6.655 10.549 ( 0.092 0.000 -5.389) 5.390 10.813 ( -4.467 0.000 -1.525) 4.720 10.817 ( -8.624 0.000 4.515) 9.734 10.913 ( 1.738 0.000 3.013) 3.479 11.069 ( 5.101 0.000 3.945) 6.449 11.131 ( 8.026 0.000 0.442) 8.039 11.332 ( -2.148 0.000 -0.479) 2.201 11.442 ( 2.542 0.000 3.149) 4.047 11.512 ( 3.783 0.000 -5.272) 6.489 11.646 ( -2.676 0.000 -4.645) 5.360 11.726 ( -4.965 0.000 -3.109) 5.858 12.223 ( 12.165 0.000 -0.725) 12.186 12.236 ( 11.974 0.000 -1.845) 12.115 13.114 ( -0.064 0.000 0.693) 0.696 13.286 ( -10.611 0.000 -0.279) 10.614 13.473 ( -7.115 0.000 -0.018) 7.115 13.646 ( 5.079 0.000 -4.104) 6.530 13.717 ( -7.479 0.000 6.724) 10.058 13.909 ( 4.254 0.000 5.685) 7.100 14.201 ( -12.746 0.000 -6.546) 14.328 14.382 ( 0.640 0.000 3.757) 3.811 14.554 ( 3.491 0.000 1.363) 3.748 14.644 ( 4.859 0.000 -3.396) 5.928 14.680 ( 8.886 0.000 4.134) 9.801 14.936 ( 4.237 0.000 -5.095) 6.627 15.326 ( -5.226 0.000 2.931) 5.992 15.481 ( -2.792 0.000 3.237) 4.275 15.505 ( 0.926 0.000 -9.972) 10.015 15.740 ( -3.049 0.000 -3.308) 4.499 16.388 ( -2.985 0.000 3.492) 4.594 16.533 ( 1.192 0.000 -4.226) 4.391 16.906 ( 7.723 0.000 0.906) 7.776 16.933 ( 5.082 0.000 -0.703) 5.130 17.054 ( -4.432 0.000 0.149) 4.434 17.116 ( -6.850 0.000 0.610) 6.877 17.162 ( -4.780 0.000 0.453) 4.801 17.268 ( 0.682 0.000 0.242) 0.724 17.625 ( -3.010 0.000 1.733) 3.474 17.632 ( -0.262 0.000 0.738) 0.783 17.713 ( -1.711 0.000 -0.720) 1.856 17.724 ( 2.501 0.000 1.037) 2.708 17.798 ( 6.191 0.000 -0.485) 6.210 17.803 ( -1.227 0.000 -2.330) 2.633 18.065 ( -5.374 0.000 3.569) 6.451 18.081 ( -1.178 0.000 -1.436) 1.857 18.266 ( 3.627 0.000 -1.317) 3.859 18.292 ( -4.395 0.000 -2.443) 5.028 18.709 ( -2.508 0.000 2.888) 3.825 18.713 ( 0.833 0.000 -0.762) 1.129 19.069 ( 4.427 0.000 -1.897) 4.817 19.133 ( 8.531 0.000 0.901) 8.579 19.390 ( -0.169 0.000 3.539) 3.543 19.424 ( -2.362 0.000 -3.630) 4.331 19.696 ( -4.708 0.000 0.086) 4.709 19.774 ( -4.924 0.000 -2.280) 5.427 19.891 ( -2.073 0.000 -3.608) 4.161 19.900 ( 0.531 0.000 2.090) 2.157 20.348 ( -1.826 0.000 8.016) 8.221 20.714 ( 0.441 0.000 -6.828) 6.842 20.844 ( -1.807 0.000 0.498) 1.875 20.939 ( -0.828 0.000 1.106) 1.382 21.289 ( 2.611 0.000 0.299) 2.628 21.326 ( 1.421 0.000 -1.853) 2.335 21.732 ( -1.607 0.000 3.020) 3.421 21.807 ( -1.788 0.000 -1.769) 2.515 22.728 ( -0.442 0.000 -1.868) 1.920 22.733 ( 0.698 0.000 0.445) 0.827 22.846 ( -2.919 0.000 0.920) 3.060 22.868 ( -2.121 0.000 0.879) 2.296 23.235 ( 2.445 0.000 -0.475) 2.491 23.285 ( 4.895 0.000 2.974) 5.728 23.365 ( -4.027 0.000 -0.657) 4.080 23.381 ( 0.593 0.000 4.508) 4.547 23.867 ( -1.170 0.000 1.583) 1.968 24.091 ( -2.865 0.000 -1.326) 3.157 24.306 ( 1.951 0.000 -2.269) 2.992 24.667 ( 7.086 0.000 4.729) 8.519 25.124 ( -1.761 0.000 2.742) 3.259 25.175 ( -1.146 0.000 -3.191) 3.391 25.282 ( 2.179 0.000 2.526) 3.336 25.499 ( 5.164 0.000 -1.171) 5.295 26.333 ( -1.306 0.000 -1.209) 1.780 26.343 ( 0.022 0.000 0.799) 0.799 26.795 ( -7.037 0.000 1.650) 7.227 27.035 ( -7.761 0.000 -13.451) 15.529 27.265 ( -1.913 0.000 0.936) 2.129 27.345 ( -1.180 0.000 -2.319) 2.602 27.746 ( -5.197 0.000 5.363) 7.468 27.830 ( 1.205 0.000 -0.028) 1.205 27.901 ( 3.157 0.000 -0.955) 3.298 28.076 ( -1.015 0.000 4.139) 4.262 28.120 ( -3.698 0.000 -7.176) 8.073 28.358 ( -2.309 0.000 -6.274) 6.686 28.471 ( -3.450 0.000 4.423) 5.609 28.574 ( -6.508 0.000 -3.232) 7.267 28.944 ( -13.463 0.000 -18.461) 22.849 29.016 ( -2.680 0.000 -4.831) 5.524 29.171 ( 2.073 0.000 -0.308) 2.096 29.305 ( 6.360 0.000 3.273) 7.152 30.151 ( -6.479 0.000 8.280) 10.513 30.307 ( 11.180 0.000 -5.107) 12.291 30.316 ( 6.409 0.000 -0.310) 6.417 30.514 ( -1.134 0.000 -1.981) 2.282 30.666 ( -2.739 0.000 0.513) 2.786 30.825 ( -2.823 0.000 -2.083) 3.508 31.264 ( -3.289 0.000 4.046) 5.214 31.504 ( 13.298 0.000 8.509) 15.787 31.639 ( 3.946 0.000 4.135) 5.715 31.818 ( 8.734 0.000 3.302) 9.338 32.127 ( -1.847 0.000 -1.521) 2.392 32.433 ( -0.887 0.000 1.760) 1.971 32.457 ( 1.055 0.000 -2.490) 2.704 32.813 ( -0.094 0.000 -13.351) 13.352 36.900 ( -0.273 0.000 0.565) 0.627 36.930 ( 0.188 0.000 -0.807) 0.828 37.429 ( -6.447 0.000 3.510) 7.341 37.816 ( -9.039 0.000 -16.449) 18.769 39.350 ( -0.644 0.000 2.937) 3.007 39.545 ( 1.761 0.000 -4.769) 5.083 40.229 ( -2.968 0.000 10.229) 10.651 40.401 ( -14.675 0.000 -20.383) 25.116 ======================= Grid point 50 (21/55) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -12.699 18.725 16.233) 27.846 0.791 ( -1.556 19.137 17.766) 26.158 1.198 ( 4.166 34.883 11.820) 37.066 1.422 ( 3.620 20.403 -4.607) 21.228 1.441 ( 1.933 14.060 -7.905) 16.245 1.610 ( -1.628 -3.548 -2.976) 4.909 1.800 ( 0.693 5.030 -4.336) 6.677 1.935 ( -1.153 0.092 -0.381) 1.217 1.965 ( -0.624 -7.693 2.409) 8.085 2.124 ( 3.451 6.891 -2.295) 8.041 2.254 ( 2.448 2.230 -1.216) 3.528 2.255 ( -2.194 2.231 -0.721) 3.211 2.445 ( -4.189 -1.384 3.202) 5.451 2.544 ( 2.600 -2.809 -0.922) 3.937 2.623 ( 0.049 -1.110 -0.362) 1.169 2.664 ( -1.623 -2.171 -0.648) 2.787 2.676 ( 1.799 1.028 -0.056) 2.073 2.740 ( -2.700 4.221 2.522) 5.610 2.778 ( 1.983 -1.779 0.008) 2.664 2.820 ( 1.177 -2.068 0.507) 2.433 2.841 ( 0.019 -0.442 -0.980) 1.075 2.905 ( 0.220 -1.162 0.620) 1.335 2.967 ( -0.173 -0.772 -3.030) 3.132 2.985 ( 1.670 1.510 -1.624) 2.776 3.093 ( 0.239 2.060 -1.681) 2.670 3.148 ( 2.586 2.470 -0.453) 3.605 3.191 ( 0.177 -1.591 -1.361) 2.101 3.279 ( -6.703 -0.750 -2.238) 7.107 3.372 ( 0.913 1.259 1.244) 1.991 3.467 ( 2.177 1.458 -1.344) 2.944 3.557 ( -5.007 0.696 -0.073) 5.055 3.640 ( 1.847 0.382 -3.626) 4.087 3.917 ( 2.937 0.311 2.895) 4.136 3.963 ( -0.592 -1.234 1.780) 2.245 4.034 ( 0.123 -0.089 -1.165) 1.175 4.069 ( -1.524 2.296 1.812) 3.298 4.093 ( 0.517 0.979 0.006) 1.107 4.217 ( -2.161 -4.247 0.983) 4.865 4.288 ( 0.731 1.122 1.823) 2.262 4.486 ( 1.593 3.640 -7.948) 8.886 4.732 ( 5.726 0.609 2.779) 6.393 4.817 ( -4.248 12.637 1.013) 13.370 4.883 ( 10.646 9.662 -2.895) 14.666 4.907 ( -3.897 2.217 -2.772) 5.271 5.018 ( -4.211 6.075 3.282) 8.088 5.171 ( 6.940 1.459 -2.270) 7.447 5.328 ( -7.512 -2.233 8.126) 11.289 5.592 ( -0.627 -0.628 0.674) 1.114 5.686 ( -1.666 -0.532 3.153) 3.606 5.742 ( -4.337 1.070 5.218) 6.869 5.827 ( 3.546 0.007 4.900) 6.048 5.998 ( 3.217 2.844 -2.772) 5.111 6.042 ( -14.656 2.254 -3.776) 15.302 6.172 ( 3.897 -4.103 -4.894) 7.482 6.220 ( 11.267 -1.519 6.116) 12.909 6.464 ( -3.935 -1.423 5.829) 7.175 6.549 ( 0.950 -8.322 -2.958) 8.883 6.690 ( 2.673 -5.307 -2.138) 6.315 7.131 ( 1.744 -2.883 -1.498) 3.688 7.200 ( 0.596 -1.356 -2.749) 3.123 7.371 ( -0.441 -2.839 4.920) 5.697 7.444 ( 0.843 4.140 1.606) 4.520 7.819 ( -0.084 -12.552 1.221) 12.612 7.898 ( -0.553 -11.310 -1.445) 11.416 8.081 ( -0.258 5.254 -3.413) 6.271 8.107 ( 1.362 5.195 -2.413) 5.888 8.214 ( 6.048 -1.183 2.151) 6.527 8.331 ( -7.031 1.000 2.503) 7.530 8.371 ( -1.668 -2.617 -0.875) 3.225 8.506 ( -1.158 3.632 3.282) 5.030 8.529 ( 4.609 -1.080 3.027) 5.618 8.596 ( 5.897 3.387 -4.999) 8.440 8.947 ( -0.055 1.695 0.433) 1.750 9.006 ( 2.823 5.722 -2.555) 6.873 9.242 ( -8.465 -8.074 2.388) 11.940 9.326 ( -0.992 -6.586 -0.664) 6.693 9.686 ( -9.947 2.440 3.547) 10.839 9.852 ( 5.786 6.311 -2.841) 9.021 10.030 ( 0.534 -0.165 1.023) 1.166 10.147 ( 1.150 -1.624 -3.217) 3.783 10.414 ( -8.440 0.263 -1.311) 8.545 10.434 ( 3.620 2.290 -1.747) 4.626 10.462 ( 0.790 0.797 0.437) 1.205 10.522 ( 9.029 -0.605 -1.510) 9.174 10.638 ( -4.198 -1.081 3.735) 5.722 10.757 ( -0.091 -0.467 -1.610) 1.679 10.882 ( -0.157 -5.720 6.722) 8.828 11.091 ( -2.024 -1.529 2.020) 3.242 11.227 ( -0.410 -1.566 -2.539) 3.011 11.301 ( 1.046 -4.220 4.784) 6.464 11.416 ( 3.416 -9.188 -8.105) 12.720 11.510 ( -5.127 -2.982 -3.402) 6.838 11.646 ( 3.715 5.187 2.836) 6.981 11.766 ( -0.540 8.700 -1.599) 8.862 12.281 ( -1.799 -5.167 1.280) 5.619 12.366 ( 1.372 -1.500 -2.171) 2.974 13.107 ( -0.320 0.426 1.740) 1.820 13.258 ( 0.439 4.583 -4.306) 6.303 13.380 ( 0.389 -1.288 -1.234) 1.826 13.548 ( 0.320 -5.506 -0.831) 5.578 13.680 ( 1.458 -0.384 3.972) 4.248 13.883 ( -10.788 -1.248 -1.908) 11.026 14.179 ( 12.342 2.132 6.239) 13.992 14.344 ( -4.488 2.795 -1.555) 5.511 14.594 ( 2.344 -2.494 -0.199) 3.429 14.701 ( -0.775 -0.415 -2.566) 2.712 14.765 ( -2.930 -2.354 3.989) 5.481 14.893 ( 1.004 -6.868 -1.528) 7.107 15.334 ( 0.216 3.002 2.652) 4.012 15.463 ( 0.785 -0.155 3.224) 3.322 15.525 ( 0.753 3.467 -5.110) 6.221 15.677 ( 0.605 1.239 -4.538) 4.743 16.363 ( -1.147 0.515 3.024) 3.275 16.537 ( 1.679 -0.849 -3.534) 4.004 16.931 ( 0.044 -2.863 0.630) 2.932 16.956 ( 1.142 -0.043 0.636) 1.308 17.012 ( -2.139 -1.348 -0.500) 2.577 17.031 ( -0.705 1.738 -0.637) 1.981 17.141 ( -0.450 -0.408 2.201) 2.283 17.238 ( 0.320 -1.506 -1.191) 1.947 17.624 ( 2.091 0.111 1.370) 2.502 17.641 ( -1.103 0.653 1.993) 2.370 17.693 ( -1.399 -0.050 -0.966) 1.701 17.727 ( 0.309 -0.512 -0.900) 1.080 17.828 ( 5.107 -3.170 -0.537) 6.035 17.846 ( -3.367 -3.025 -0.306) 4.537 17.927 ( -4.747 -2.539 1.550) 5.602 17.973 ( 6.003 -5.011 -0.224) 7.822 18.275 ( -1.985 2.395 1.502) 3.454 18.331 ( 1.024 1.844 -0.964) 2.319 18.722 ( 1.105 1.875 1.948) 2.921 18.781 ( 0.045 3.610 0.171) 3.615 19.110 ( 0.509 -0.500 0.220) 0.746 19.229 ( -2.273 2.746 -3.556) 5.035 19.383 ( -1.658 -0.556 2.342) 2.923 19.446 ( 3.681 0.157 0.034) 3.685 19.634 ( 0.170 -1.025 -1.232) 1.611 19.676 ( -0.935 -1.438 -3.231) 3.658 19.838 ( -0.134 -4.204 1.658) 4.522 19.880 ( 2.446 -2.477 -0.410) 3.505 20.414 ( -1.311 5.544 7.130) 9.126 20.734 ( 1.640 2.638 -6.279) 7.005 20.867 ( 0.483 1.067 0.546) 1.292 20.898 ( -1.314 -0.785 -0.675) 1.673 21.225 ( -1.399 -3.583 1.983) 4.328 21.313 ( 0.497 -2.907 -1.976) 3.550 21.636 ( -1.325 -7.213 2.905) 7.888 21.750 ( 0.583 -4.153 -1.762) 4.549 22.703 ( -0.731 -2.059 -0.188) 2.193 22.756 ( 2.688 -1.933 -1.808) 3.772 22.809 ( 0.030 -2.011 1.192) 2.338 22.822 ( 2.105 -3.179 1.550) 4.116 23.183 ( -4.503 -4.221 6.593) 9.031 23.305 ( 1.291 0.472 -0.401) 1.431 23.337 ( 0.023 0.101 1.816) 1.819 23.374 ( 1.458 1.800 0.043) 2.317 24.003 ( -2.004 1.926 -3.930) 4.813 24.029 ( -1.696 2.871 -4.825) 5.865 24.553 ( 13.931 -10.936 5.842) 18.649 24.609 ( -2.728 -8.632 0.503) 9.066 25.118 ( -1.840 2.678 1.202) 3.464 25.194 ( 1.329 1.962 -1.333) 2.719 25.297 ( -0.056 -2.134 5.945) 6.317 25.498 ( -2.095 -2.413 -2.594) 4.117 26.381 ( 1.466 4.237 -1.863) 4.855 26.391 ( 0.376 5.328 -1.245) 5.485 26.702 ( -9.473 3.164 3.281) 10.513 26.796 ( 8.255 5.322 -0.633) 9.842 27.289 ( -0.946 5.005 0.954) 5.183 27.385 ( 1.908 4.285 -3.660) 5.950 27.618 ( -0.997 -6.273 3.127) 7.080 27.722 ( -0.980 -3.258 -0.475) 3.435 27.827 ( 0.002 -3.300 3.484) 4.799 27.961 ( 0.307 8.196 -1.749) 8.386 28.147 ( -0.451 0.600 -1.672) 1.833 28.287 ( -1.105 -2.484 -4.302) 5.089 28.427 ( -2.924 2.854 4.755) 6.269 28.488 ( -4.714 4.997 -1.348) 7.001 28.924 ( 0.295 18.027 5.211) 18.767 29.182 ( 4.897 10.031 1.031) 11.210 29.341 ( 0.453 2.408 -1.202) 2.730 29.766 ( -4.373 25.867 -23.684) 35.343 30.041 ( 2.191 -4.490 -3.086) 5.872 30.176 ( 7.130 -6.118 -5.738) 11.009 30.623 ( -2.338 7.837 -1.099) 8.252 30.664 ( 0.844 3.423 1.027) 3.672 30.680 ( 0.193 10.710 -3.901) 11.400 30.762 ( -3.172 2.269 -1.387) 4.139 31.217 ( -0.251 -2.055 6.796) 7.105 31.524 ( -1.028 -2.599 -5.500) 6.170 31.841 ( -1.498 -5.133 3.881) 6.607 31.876 ( -10.347 -17.104 9.086) 21.958 32.059 ( -0.483 -2.197 0.430) 2.290 32.154 ( 1.097 -1.543 -2.521) 3.152 32.432 ( 1.153 -3.841 0.414) 4.032 32.515 ( -2.985 0.865 -4.165) 5.197 36.888 ( -0.163 -0.805 0.366) 0.899 36.915 ( -0.118 -1.638 -0.522) 1.723 37.359 ( -1.758 -0.269 1.044) 2.062 37.414 ( -0.142 -0.443 -0.774) 0.903 39.381 ( -0.762 3.098 2.732) 4.200 39.566 ( -0.284 0.518 -3.990) 4.034 40.366 ( -3.873 10.663 0.195) 11.346 40.606 ( 14.505 10.731 -10.566) 20.909 ======================= Grid point 51 (22/55) ======================= q-point: ( 0.20 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 6.504 12.252 16.883) 21.851 0.958 ( 9.494 19.093 11.242) 24.105 1.374 ( 2.795 11.021 -7.925) 13.860 1.483 ( 7.915 9.862 -8.582) 15.282 1.658 ( 5.514 9.624 9.465) 14.582 1.689 ( 11.959 3.258 -2.305) 12.607 1.813 ( 3.766 4.131 -2.125) 5.980 1.882 ( 1.372 -1.706 0.785) 2.325 1.961 ( 0.374 -0.060 0.307) 0.487 2.109 ( -1.876 7.285 1.531) 7.677 2.274 ( 0.846 3.005 -0.069) 3.123 2.315 ( 7.308 0.642 -2.561) 7.770 2.362 ( -4.049 -2.194 1.428) 4.822 2.468 ( -7.854 2.069 0.564) 8.142 2.594 ( -5.417 1.189 1.215) 5.678 2.631 ( -2.311 -0.989 -3.308) 4.154 2.684 ( -3.027 4.264 1.750) 5.514 2.726 ( 4.584 2.581 0.305) 5.270 2.729 ( -3.842 -1.271 1.638) 4.366 2.860 ( 1.205 -1.554 0.382) 2.003 2.884 ( -0.611 -5.584 0.259) 5.624 2.909 ( 3.743 0.412 -3.895) 5.418 2.923 ( -2.494 -0.586 -2.552) 3.616 3.051 ( 2.407 -0.324 2.889) 3.774 3.099 ( 1.911 2.898 -2.067) 4.040 3.125 ( -3.202 0.897 -3.269) 4.663 3.165 ( -1.538 0.225 -1.044) 1.872 3.255 ( 4.338 -0.366 0.102) 4.355 3.394 ( -1.288 0.502 0.565) 1.494 3.499 ( -0.047 3.143 0.412) 3.170 3.547 ( 4.992 -1.519 -3.106) 6.072 3.694 ( 4.592 0.025 -0.037) 4.592 3.933 ( -0.045 -1.917 0.246) 1.933 3.967 ( -4.066 -0.295 -2.282) 4.672 3.994 ( 0.513 0.378 1.222) 1.378 4.105 ( -0.307 1.539 2.584) 3.023 4.109 ( 2.790 2.803 1.740) 4.320 4.179 ( -2.247 -4.171 1.458) 4.958 4.309 ( 0.960 -0.022 0.124) 0.968 4.400 ( -3.086 3.421 -4.899) 6.725 4.743 ( -2.757 7.876 0.377) 8.353 4.768 ( -4.553 -0.511 -2.630) 5.283 4.848 ( -4.934 8.541 2.483) 10.172 4.910 ( -3.234 4.397 -1.479) 5.655 4.997 ( 0.946 9.184 -4.335) 10.199 5.213 ( -1.171 -0.288 5.684) 5.811 5.321 ( -0.029 -0.523 4.713) 4.742 5.514 ( -3.209 5.718 2.317) 6.954 5.656 ( -2.678 8.571 4.157) 9.895 5.701 ( -0.192 -1.324 3.239) 3.504 5.797 ( -3.156 -2.890 4.612) 6.291 5.974 ( 1.627 3.365 -0.573) 3.782 6.079 ( 5.721 -2.621 -0.952) 6.365 6.150 ( -6.956 0.450 -1.464) 7.122 6.233 ( 0.790 -3.009 -3.701) 4.835 6.512 ( 1.231 -6.772 1.857) 7.129 6.540 ( 1.626 -3.015 -1.425) 3.710 6.819 ( -0.249 -7.584 -3.123) 8.206 7.099 ( -0.966 -3.602 -1.262) 3.937 7.202 ( 0.609 -4.114 -0.293) 4.169 7.361 ( -0.153 2.258 1.724) 2.844 7.456 ( -0.574 -2.784 1.413) 3.174 7.816 ( -0.287 -8.074 -0.095) 8.080 7.825 ( -6.156 -3.445 0.906) 7.113 8.003 ( -1.790 0.932 -2.221) 3.001 8.082 ( -2.225 3.459 -0.942) 4.219 8.192 ( -5.311 -0.180 -0.760) 5.368 8.271 ( -1.323 -1.170 1.698) 2.450 8.370 ( 5.030 2.004 0.356) 5.426 8.570 ( 3.192 -2.639 4.977) 6.474 8.620 ( 1.532 -2.335 2.080) 3.483 8.712 ( 4.247 -3.810 -3.102) 6.494 8.936 ( 1.928 4.382 -0.600) 4.825 8.993 ( -4.228 2.088 -0.535) 4.746 9.150 ( 0.381 -2.769 3.436) 4.429 9.318 ( -2.677 -6.477 -2.680) 7.504 9.622 ( 0.179 5.095 0.185) 5.102 9.939 ( 0.945 8.394 -0.788) 8.484 10.090 ( 4.448 -0.903 3.620) 5.805 10.198 ( -2.859 2.538 -2.875) 4.783 10.239 ( 5.338 1.196 -0.651) 5.510 10.396 ( -0.821 0.794 -3.032) 3.240 10.526 ( -1.407 -0.876 0.213) 1.671 10.569 ( -0.711 -3.972 0.002) 4.035 10.702 ( 3.410 -1.317 0.140) 3.658 10.860 ( 4.301 -2.579 1.231) 5.164 10.932 ( 5.899 -0.108 5.783) 8.262 11.016 ( -5.176 -3.378 -0.941) 6.252 11.135 ( -7.302 -1.466 0.305) 7.454 11.240 ( -2.306 0.137 -2.336) 3.285 11.405 ( -2.654 -4.640 -2.182) 5.774 11.531 ( 6.193 -6.246 -2.566) 9.162 11.688 ( 0.674 6.321 1.101) 6.452 11.761 ( 2.074 4.777 -2.454) 5.757 12.170 ( -9.988 -1.170 -0.580) 10.073 12.291 ( -7.038 1.884 -1.215) 7.386 13.108 ( -0.987 -5.316 3.934) 6.686 13.295 ( 4.782 3.200 -4.871) 7.539 13.458 ( 8.108 -3.087 -0.768) 8.710 13.571 ( 1.987 -5.886 1.050) 6.300 13.762 ( -1.627 -1.338 3.040) 3.698 13.795 ( 6.283 0.745 3.460) 7.212 14.216 ( -6.588 4.056 -4.542) 8.971 14.388 ( 1.507 -3.137 2.593) 4.340 14.538 ( -7.571 -1.271 0.726) 7.711 14.605 ( -2.928 -4.266 1.310) 5.338 14.719 ( -1.746 0.748 -0.310) 1.925 14.913 ( 0.468 -2.705 -2.847) 3.955 15.329 ( -0.269 4.344 0.650) 4.401 15.506 ( 1.859 1.208 -1.332) 2.586 15.541 ( 3.565 -0.180 1.593) 3.909 15.724 ( 3.521 0.296 -5.064) 6.175 16.378 ( 1.381 1.227 2.180) 2.857 16.559 ( 1.989 -1.231 -2.864) 3.698 16.859 ( -6.993 -2.706 0.380) 7.508 16.899 ( -7.097 -3.317 -0.301) 7.839 17.043 ( 6.329 -0.589 0.483) 6.375 17.070 ( 1.308 -0.597 0.985) 1.743 17.194 ( 5.731 0.390 0.669) 5.783 17.242 ( 0.923 0.105 -0.880) 1.280 17.618 ( -4.222 -4.169 -0.599) 5.963 17.648 ( 0.938 -0.787 1.466) 1.910 17.689 ( 3.302 1.558 1.266) 3.864 17.754 ( 1.928 2.190 0.099) 2.919 17.760 ( -2.346 -0.949 -0.922) 2.694 17.834 ( -1.114 -0.392 -1.489) 1.900 17.992 ( 6.509 -2.037 1.286) 6.940 18.143 ( 2.604 -1.783 0.256) 3.166 18.232 ( 2.374 -1.634 -1.373) 3.192 18.305 ( -2.976 2.012 -0.055) 3.593 18.712 ( -2.217 0.761 0.568) 2.412 18.792 ( -0.901 -1.182 0.331) 1.522 19.072 ( -3.336 2.808 1.554) 4.629 19.147 ( -3.881 3.532 -1.726) 5.524 19.335 ( -2.626 1.715 0.334) 3.154 19.491 ( 1.643 -0.744 -0.741) 1.950 19.685 ( 4.266 -2.172 -0.126) 4.789 19.722 ( 4.689 -2.451 -2.010) 5.660 19.809 ( -1.001 -3.171 0.327) 3.342 19.946 ( 1.893 -5.231 -1.430) 5.744 20.432 ( -0.372 5.910 6.983) 9.156 20.746 ( 2.562 2.574 -6.277) 7.252 20.879 ( 0.367 0.674 -0.531) 0.933 20.912 ( 2.599 0.318 1.335) 2.940 21.205 ( -1.202 -3.781 1.576) 4.269 21.293 ( -1.896 -3.341 -1.776) 4.233 21.636 ( 0.075 -6.660 2.972) 7.294 21.771 ( 1.987 -4.401 -1.300) 5.001 22.689 ( -0.409 -1.330 0.121) 1.397 22.764 ( -0.033 -2.359 -2.450) 3.402 22.844 ( 2.459 -3.337 1.164) 4.305 22.905 ( 3.651 -3.652 -1.415) 5.354 23.129 ( -2.952 -0.156 5.231) 6.009 23.318 ( 0.361 0.559 0.623) 0.911 23.345 ( -0.339 2.968 0.329) 3.005 23.424 ( 2.956 0.432 0.040) 2.988 23.965 ( 0.658 1.614 1.207) 2.120 24.006 ( 0.784 -2.036 -3.317) 3.970 24.427 ( -11.632 -4.563 -2.960) 12.841 24.664 ( -5.196 -15.891 2.409) 16.891 25.102 ( 0.022 2.620 0.532) 2.674 25.229 ( 1.876 1.264 0.925) 2.444 25.304 ( -0.833 1.949 3.920) 4.456 25.444 ( -2.484 0.531 -3.658) 4.454 26.347 ( -0.836 4.175 -0.125) 4.260 26.414 ( 1.197 4.425 -0.458) 4.607 26.723 ( 5.596 -1.843 0.525) 5.915 27.105 ( 16.843 -1.620 -4.405) 17.484 27.263 ( -1.290 4.163 0.395) 4.376 27.409 ( 2.598 3.014 -3.223) 5.121 27.658 ( 3.108 -5.263 4.763) 7.749 27.800 ( 4.682 -9.586 -3.040) 11.093 27.812 ( -0.747 2.873 3.254) 4.405 27.954 ( -0.153 4.680 -0.410) 4.701 28.097 ( -2.953 5.937 -1.475) 6.793 28.273 ( 1.468 -7.381 -4.133) 8.586 28.359 ( -1.845 -5.154 5.400) 7.690 28.551 ( 5.467 11.448 3.153) 13.073 28.999 ( 5.560 18.700 5.314) 20.220 29.278 ( -3.545 3.787 -2.338) 5.690 29.327 ( 5.035 9.643 1.163) 10.940 29.570 ( -3.115 25.553 -18.668) 31.799 30.039 ( 0.242 -6.055 -6.051) 8.563 30.234 ( -1.150 -4.486 -0.840) 4.707 30.503 ( -7.516 7.961 0.766) 10.975 30.606 ( -3.863 6.448 0.021) 7.516 30.699 ( 0.941 5.336 2.092) 5.808 30.771 ( 3.744 0.631 -2.110) 4.343 31.282 ( 2.651 -1.102 6.131) 6.770 31.360 ( -12.281 -2.289 3.693) 13.027 31.627 ( -1.991 -5.832 3.961) 7.326 31.734 ( -8.663 -1.875 0.716) 8.892 32.226 ( 2.303 -4.684 1.891) 5.552 32.263 ( 8.583 -5.108 -1.645) 10.123 32.462 ( 1.966 -2.538 -2.856) 4.298 32.492 ( 1.340 -1.249 -1.667) 2.477 36.890 ( 0.154 -0.662 0.467) 0.825 36.915 ( 0.262 -1.707 -0.492) 1.796 37.384 ( 3.984 -1.328 2.300) 4.788 37.565 ( 10.468 -1.776 -3.240) 11.101 39.381 ( -0.628 3.035 3.172) 4.434 39.553 ( 0.646 0.782 -3.881) 4.011 40.274 ( -3.563 13.391 0.264) 13.859 40.790 ( 7.025 -2.564 -11.292) 13.544 ======================= Grid point 52 (23/55) ======================= q-point: ( 0.40 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 16.732 6.581 10.829) 20.989 1.203 ( 9.139 6.326 5.855) 12.563 1.399 ( 2.372 -0.630 -5.955) 6.441 1.511 ( -10.513 4.429 3.136) 11.831 1.539 ( -11.520 -0.544 -0.913) 11.569 1.695 ( 12.021 7.128 -7.367) 15.798 1.887 ( -1.880 -0.579 -3.076) 3.651 1.930 ( -2.405 6.060 -7.243) 9.745 2.076 ( 4.830 -1.141 2.449) 5.534 2.145 ( 0.453 7.217 -0.895) 7.286 2.293 ( -2.568 -1.574 0.201) 3.018 2.320 ( 1.060 4.435 3.077) 5.501 2.377 ( -5.291 0.816 2.253) 5.808 2.492 ( 4.565 -2.190 5.143) 7.217 2.544 ( 2.108 4.289 3.742) 6.070 2.557 ( 0.672 -1.844 0.029) 1.962 2.624 ( 2.724 4.524 -0.421) 5.298 2.703 ( -0.704 4.150 1.818) 4.585 2.762 ( -4.719 -1.785 -2.641) 5.695 2.842 ( 0.989 0.988 0.199) 1.412 2.865 ( -0.614 -2.362 -2.993) 3.862 2.904 ( 1.840 0.761 -0.568) 2.071 2.960 ( 2.349 2.945 -2.612) 4.584 3.065 ( 1.086 -0.257 -2.189) 2.457 3.083 ( -1.337 -3.285 0.116) 3.549 3.109 ( -1.316 -0.991 -0.981) 1.918 3.195 ( 2.930 4.060 2.302) 5.511 3.306 ( -7.161 1.656 3.656) 8.209 3.342 ( 3.882 -0.217 -3.308) 5.105 3.528 ( 1.434 2.303 1.998) 3.369 3.573 ( 0.785 -2.242 -5.477) 5.970 3.790 ( 2.036 -1.817 -0.444) 2.765 3.883 ( -0.076 -0.175 -1.799) 1.810 3.954 ( 1.584 -2.146 -0.404) 2.697 4.024 ( 0.745 1.569 1.743) 2.461 4.059 ( -3.146 0.982 -0.174) 3.300 4.161 ( 1.101 -2.380 0.940) 2.786 4.171 ( 0.581 5.157 4.734) 7.024 4.300 ( -0.218 4.142 3.543) 5.455 4.436 ( 4.801 0.365 -3.693) 6.068 4.616 ( -8.232 2.637 -0.864) 8.687 4.666 ( -4.864 2.551 -3.718) 6.633 4.760 ( 0.717 9.414 -0.336) 9.447 4.891 ( -3.973 10.546 -4.283) 12.056 4.955 ( 1.946 11.176 4.201) 12.098 5.180 ( -4.600 4.044 7.051) 9.340 5.343 ( -0.071 -0.203 3.517) 3.524 5.542 ( 1.012 7.054 1.063) 7.205 5.620 ( -1.245 4.010 3.677) 5.582 5.708 ( -2.618 -10.375 -2.426) 10.972 5.823 ( 3.763 -0.286 4.674) 6.007 5.950 ( -0.343 5.290 -2.455) 5.842 6.045 ( -3.469 -0.690 -1.055) 3.691 6.153 ( -0.837 -4.054 -1.285) 4.335 6.254 ( 5.130 -1.222 -2.946) 6.041 6.470 ( -2.068 -9.294 -2.130) 9.757 6.606 ( 0.503 0.127 1.689) 1.767 6.655 ( -7.127 -0.561 0.247) 7.154 7.099 ( -1.578 -5.465 2.275) 6.126 7.227 ( 2.642 -4.099 -1.913) 5.238 7.418 ( 3.736 -1.031 -1.187) 4.053 7.441 ( -1.295 -0.669 1.281) 1.941 7.692 ( -5.280 0.959 1.961) 5.713 7.822 ( -0.365 -3.695 -1.846) 4.147 7.988 ( 0.145 -2.752 0.224) 2.765 8.075 ( 1.429 0.890 -1.982) 2.600 8.149 ( 0.634 -4.242 0.870) 4.376 8.274 ( -0.339 -3.388 -0.423) 3.431 8.483 ( 3.082 2.233 4.044) 5.553 8.573 ( -3.288 0.419 7.057) 7.797 8.633 ( 1.857 -8.987 -2.469) 9.503 8.811 ( 5.661 -4.283 -2.959) 7.691 8.898 ( -7.225 1.553 2.933) 7.950 8.983 ( 2.154 8.362 -3.157) 9.194 9.140 ( 0.711 -9.010 -0.505) 9.052 9.195 ( -5.838 -8.733 -1.677) 10.637 9.668 ( 3.568 12.325 0.573) 12.844 9.901 ( -2.033 14.289 -2.986) 14.739 10.182 ( 0.894 0.048 7.307) 7.362 10.222 ( 3.784 1.117 0.727) 4.011 10.373 ( 6.532 -3.736 -2.300) 7.869 10.406 ( 4.063 0.228 -4.192) 5.842 10.464 ( -4.618 -2.733 -2.188) 5.795 10.534 ( -3.593 -6.945 1.015) 7.885 10.719 ( -1.603 -0.287 4.115) 4.425 10.831 ( -2.391 -1.426 -0.891) 2.922 10.888 ( -4.854 0.085 -0.994) 4.955 11.028 ( -1.801 2.846 1.479) 3.678 11.074 ( 0.387 2.244 4.382) 4.939 11.316 ( 8.593 0.558 -4.762) 9.840 11.413 ( 5.473 -3.930 -3.944) 7.808 11.567 ( -1.364 -7.704 -2.436) 8.194 11.728 ( 0.696 1.018 0.445) 1.311 11.823 ( 4.612 5.735 -1.703) 7.554 11.953 ( -7.201 2.940 -0.811) 7.820 12.133 ( -7.321 5.785 -1.048) 9.389 13.093 ( -2.795 -7.275 5.266) 9.405 13.358 ( 4.407 -1.108 -7.415) 8.697 13.556 ( -1.624 -6.834 3.826) 7.999 13.666 ( 6.822 -4.064 -3.168) 8.550 13.795 ( 2.954 -1.232 5.319) 6.208 13.937 ( 3.520 -0.101 3.652) 5.073 14.036 ( -6.435 2.005 -0.256) 6.745 14.308 ( -5.942 -6.254 -0.364) 8.635 14.454 ( 0.937 2.757 1.386) 3.225 14.602 ( -3.202 0.772 3.045) 4.486 14.678 ( -0.669 -0.634 -1.497) 1.758 14.875 ( -0.786 2.515 -6.249) 6.782 15.384 ( 4.830 1.499 0.927) 5.141 15.551 ( -1.447 -0.157 4.199) 4.444 15.599 ( 3.188 -1.769 -3.021) 4.735 15.727 ( 0.089 1.277 -4.096) 4.291 16.438 ( 3.243 1.071 1.472) 3.719 16.587 ( 1.882 -1.703 -3.045) 3.964 16.707 ( -6.458 -2.117 0.841) 6.848 16.763 ( -5.302 -2.569 -0.918) 5.963 17.076 ( -0.444 -1.317 2.039) 2.468 17.145 ( 2.763 -1.608 -0.698) 3.273 17.270 ( 1.414 -2.982 1.467) 3.612 17.327 ( 5.259 -3.399 -0.900) 6.326 17.564 ( -0.167 -2.002 -0.155) 2.015 17.665 ( -2.243 -0.141 -0.547) 2.313 17.698 ( 0.116 1.559 1.045) 1.880 17.777 ( 0.423 0.654 -0.971) 1.245 17.802 ( 4.957 3.636 1.736) 6.388 17.880 ( 5.280 2.723 -1.339) 6.090 18.036 ( -7.890 1.645 1.584) 8.214 18.049 ( -1.692 0.471 0.321) 1.786 18.266 ( -0.368 1.408 1.517) 2.102 18.374 ( 7.880 -2.787 -4.056) 9.291 18.659 ( -2.894 -4.905 0.577) 5.725 18.719 ( -4.828 -6.161 -0.782) 7.867 19.028 ( -2.226 6.351 0.909) 6.791 19.086 ( -0.718 6.011 -2.020) 6.382 19.329 ( 0.993 1.730 3.074) 3.665 19.511 ( 0.689 -0.301 -1.727) 1.884 19.756 ( 1.869 -2.869 0.846) 3.527 19.761 ( 0.632 -4.614 0.046) 4.657 19.839 ( 3.066 -1.163 -1.465) 3.591 19.938 ( -1.364 -4.846 -1.963) 5.404 20.451 ( -1.308 6.372 6.558) 9.237 20.771 ( 2.659 3.071 -6.490) 7.656 20.889 ( 0.938 1.684 0.509) 1.993 20.965 ( 0.971 0.899 1.178) 1.771 21.188 ( -1.182 -5.906 0.867) 6.086 21.237 ( -1.669 -4.228 -1.806) 4.891 21.661 ( 0.488 -6.337 3.537) 7.273 21.800 ( 1.232 -4.477 -1.294) 4.821 22.688 ( 0.113 -1.122 0.284) 1.163 22.749 ( -0.233 -2.507 -2.800) 3.766 22.889 ( 1.335 -2.579 0.953) 3.057 22.926 ( -0.888 -2.483 0.082) 2.638 23.131 ( 1.029 1.156 2.978) 3.357 23.301 ( -2.203 3.769 -1.442) 4.597 23.349 ( 0.707 1.501 1.414) 2.180 23.462 ( 0.738 -1.636 -1.185) 2.151 24.002 ( -0.208 -3.080 -1.673) 3.512 24.065 ( 7.036 -3.260 1.267) 7.857 24.214 ( -5.878 -0.896 -1.039) 6.036 24.499 ( -9.924 -9.986 -0.178) 14.080 25.123 ( 1.601 2.592 1.158) 3.259 25.263 ( 0.017 3.178 3.484) 4.716 25.298 ( -0.892 1.039 -1.695) 2.179 25.398 ( 0.277 3.546 -2.536) 4.368 26.346 ( 0.087 3.552 0.760) 3.633 26.422 ( -0.052 4.211 -1.305) 4.409 26.831 ( 4.188 -1.486 3.379) 5.582 27.251 ( 0.018 -6.228 -2.838) 6.844 27.275 ( 3.536 3.418 -4.098) 6.402 27.439 ( 1.055 1.782 -4.517) 4.969 27.717 ( -1.741 -7.426 5.602) 9.463 27.781 ( -1.264 -2.472 0.837) 2.900 27.855 ( 3.110 -0.925 0.875) 3.360 27.967 ( -1.500 -1.805 0.495) 2.399 28.068 ( 1.689 0.919 -1.383) 2.369 28.260 ( 0.687 -10.721 -6.711) 12.667 28.457 ( 4.562 -5.602 12.987) 14.861 28.661 ( 3.888 12.144 4.295) 13.455 29.123 ( -6.094 12.930 -1.131) 14.339 29.196 ( 7.673 20.416 2.569) 21.961 29.411 ( 1.731 6.836 -3.619) 7.926 29.487 ( 2.449 15.775 -13.938) 21.192 30.023 ( 1.242 -6.241 -2.617) 6.880 30.102 ( -9.391 -4.030 1.644) 10.350 30.415 ( -4.290 5.936 5.792) 9.337 30.578 ( 2.212 3.267 -2.210) 4.522 30.732 ( 1.622 7.868 2.258) 8.345 30.847 ( 3.679 0.738 -2.126) 4.313 31.229 ( -2.772 -2.452 3.237) 4.917 31.347 ( -0.207 -0.403 3.479) 3.508 31.573 ( -5.220 -1.468 -1.024) 5.518 31.642 ( 0.705 -4.656 -0.276) 4.717 32.237 ( -2.260 -3.245 3.628) 5.367 32.358 ( 2.151 -4.040 1.220) 4.737 32.459 ( 0.214 -1.201 -5.135) 5.278 32.556 ( 5.142 -5.213 -1.808) 7.542 36.895 ( 0.033 -0.492 0.434) 0.657 36.917 ( 0.181 -1.489 -0.466) 1.571 37.484 ( 2.798 -2.678 4.908) 6.252 37.712 ( 5.874 -3.335 -3.176) 7.464 39.383 ( -0.763 3.239 3.305) 4.690 39.553 ( 1.241 1.604 -3.446) 3.998 40.260 ( 1.276 12.219 2.810) 12.602 40.790 ( -0.526 -5.438 -11.961) 13.149 ======================= Grid point 53 (24/55) ======================= q-point: (-0.40 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -16.820 6.525 7.907) 19.697 1.193 ( -16.788 7.236 6.585) 19.431 1.402 ( 8.253 0.474 -0.660) 8.293 1.461 ( 2.424 3.863 -1.574) 4.824 1.619 ( 11.806 -3.884 3.778) 12.990 1.750 ( -4.198 2.301 -10.848) 11.858 1.813 ( -1.182 3.914 -5.877) 7.159 1.954 ( 5.431 4.566 -4.840) 8.589 2.089 ( -1.163 3.101 -0.110) 3.314 2.124 ( -5.143 6.523 2.739) 8.747 2.195 ( -8.505 1.456 0.047) 8.629 2.314 ( 1.243 2.874 2.911) 4.275 2.372 ( -3.485 -0.524 2.041) 4.072 2.421 ( 1.527 2.887 3.819) 5.025 2.536 ( -1.250 1.832 2.288) 3.187 2.639 ( -1.402 4.589 2.722) 5.516 2.703 ( 1.979 0.136 -2.939) 3.546 2.707 ( 2.259 0.353 2.713) 3.548 2.764 ( 1.529 0.710 2.378) 2.915 2.797 ( -0.893 -2.181 -4.800) 5.347 2.861 ( 1.024 -1.974 -1.926) 2.942 2.901 ( -2.186 -1.449 0.747) 2.727 2.967 ( -2.486 -1.743 -3.364) 4.532 3.067 ( -1.665 -0.086 -1.677) 2.365 3.082 ( 1.930 2.826 -1.718) 3.829 3.103 ( 0.894 -1.214 -1.446) 2.088 3.206 ( 1.372 2.612 3.216) 4.365 3.317 ( 5.703 2.277 4.291) 7.491 3.344 ( -1.714 0.853 -2.402) 3.071 3.545 ( 0.149 -1.514 -3.013) 3.375 3.588 ( 1.710 0.903 1.529) 2.465 3.758 ( -2.724 2.900 -4.540) 6.036 3.925 ( 2.063 -2.520 1.096) 3.436 3.950 ( -3.835 -2.890 -2.241) 5.299 3.999 ( 1.231 -2.101 1.316) 2.768 4.042 ( -0.032 1.364 0.491) 1.450 4.162 ( -1.571 2.854 1.982) 3.813 4.274 ( 2.092 0.346 5.778) 6.155 4.301 ( -0.038 7.063 2.495) 7.491 4.455 ( -5.939 6.466 -2.941) 9.259 4.480 ( 2.866 0.909 -2.661) 4.015 4.672 ( 5.963 3.225 -4.226) 7.989 4.793 ( -0.578 10.731 -2.105) 10.951 4.833 ( 5.390 6.709 0.243) 8.610 4.986 ( -5.335 5.310 4.792) 8.923 5.180 ( 2.511 13.975 2.519) 14.421 5.344 ( -0.550 -0.075 7.640) 7.661 5.538 ( 0.384 2.208 2.236) 3.166 5.630 ( -1.917 -0.365 -0.703) 2.075 5.647 ( 0.645 -1.235 -0.878) 1.647 5.890 ( -1.968 -0.391 4.446) 4.878 5.934 ( -1.099 -0.994 -0.483) 1.559 6.002 ( -0.315 1.036 -1.443) 1.805 6.117 ( -0.141 -1.014 -4.544) 4.658 6.349 ( 4.144 -6.728 1.940) 8.137 6.429 ( 0.745 -5.162 -5.797) 7.798 6.594 ( -0.620 0.488 1.746) 1.916 6.631 ( 2.352 -2.126 0.929) 3.304 7.106 ( 0.627 -4.767 2.345) 5.349 7.235 ( -0.667 -5.874 -2.107) 6.277 7.389 ( -3.704 -0.706 -0.166) 3.774 7.453 ( -0.619 -0.028 0.342) 0.708 7.687 ( 3.762 1.700 2.272) 4.713 7.811 ( 0.766 -2.955 -2.491) 3.941 7.983 ( -0.265 -1.957 0.725) 2.104 8.092 ( -1.145 1.318 -1.947) 2.615 8.154 ( -1.456 -7.045 1.203) 7.294 8.243 ( 0.186 -1.828 -1.215) 2.202 8.490 ( -3.305 -0.998 7.952) 8.669 8.530 ( -2.717 0.701 2.874) 4.017 8.665 ( -1.743 -5.883 -2.752) 6.725 8.813 ( -0.164 0.457 -4.015) 4.044 8.853 ( 0.012 -4.056 2.842) 4.952 9.037 ( 5.515 2.930 -0.479) 6.263 9.096 ( -4.044 -2.416 -1.757) 5.027 9.246 ( 8.729 -10.901 -1.224) 14.019 9.728 ( 1.223 13.341 2.200) 13.576 9.864 ( 0.686 13.062 -4.760) 13.919 10.173 ( -5.209 -1.108 6.559) 8.449 10.257 ( -0.996 1.078 2.202) 2.646 10.303 ( -3.931 -1.808 -4.182) 6.018 10.443 ( -7.667 -3.720 -3.329) 9.149 10.503 ( 2.468 -5.404 1.244) 6.070 10.511 ( 4.697 -1.134 -2.142) 5.286 10.663 ( 5.880 -3.681 3.627) 7.828 10.837 ( 3.728 3.178 -1.934) 5.267 10.983 ( 0.581 1.444 0.112) 1.561 11.002 ( -1.772 3.385 3.446) 5.146 11.036 ( 1.093 0.123 1.828) 2.134 11.362 ( -2.706 -0.242 -2.370) 3.605 11.506 ( -0.028 -7.116 -5.761) 9.156 11.528 ( 1.765 1.433 -4.704) 5.225 11.579 ( -7.223 -4.570 2.264) 8.842 11.889 ( -1.828 5.520 -1.042) 5.907 12.022 ( 10.771 4.200 -0.288) 11.565 12.083 ( 5.543 4.856 -1.531) 7.527 13.060 ( -2.156 -5.454 4.534) 7.413 13.378 ( -0.244 -4.615 -5.734) 7.365 13.523 ( -0.515 -5.642 1.289) 5.810 13.635 ( -8.831 -0.238 0.827) 8.873 13.833 ( -7.272 -1.703 2.923) 8.020 13.925 ( 5.254 1.824 1.184) 5.687 14.113 ( 4.133 -5.492 3.913) 7.909 14.266 ( 4.331 -5.249 -1.745) 7.026 14.527 ( -0.557 -0.251 2.185) 2.269 14.581 ( 4.543 6.270 4.051) 8.738 14.643 ( -1.112 0.712 -3.596) 3.831 14.877 ( 3.843 1.101 -6.178) 7.358 15.454 ( -4.910 1.192 2.899) 5.825 15.472 ( -1.270 -1.783 0.975) 2.396 15.573 ( -3.009 -0.129 -3.003) 4.253 15.757 ( 2.743 0.454 -2.770) 3.925 16.448 ( -3.188 0.581 2.108) 3.866 16.558 ( -2.269 -0.773 -3.548) 4.282 16.711 ( 6.299 -2.407 0.853) 6.798 16.768 ( 5.685 -3.267 -1.013) 6.634 17.083 ( 0.062 -0.181 1.984) 1.993 17.162 ( -0.435 -1.455 -0.947) 1.790 17.253 ( -3.378 -4.979 1.404) 6.179 17.337 ( -4.592 -1.999 -0.557) 5.039 17.599 ( -1.242 -0.835 -1.631) 2.214 17.607 ( 2.593 -1.316 1.463) 3.255 17.726 ( 1.381 1.352 0.756) 2.075 17.764 ( -1.098 0.751 -1.240) 1.819 17.802 ( -6.247 4.120 1.879) 7.715 17.884 ( -4.409 2.096 -1.393) 5.077 18.018 ( 5.190 1.310 0.872) 5.423 18.068 ( 3.862 0.891 1.006) 4.089 18.246 ( -2.225 0.182 0.692) 2.337 18.408 ( -4.621 -0.935 -3.513) 5.880 18.612 ( 1.378 -6.577 0.282) 6.726 18.730 ( 4.699 -4.149 -0.278) 6.275 19.002 ( -0.047 5.127 0.586) 5.161 19.094 ( 2.477 5.913 -1.534) 6.592 19.371 ( 0.888 1.014 3.715) 3.952 19.491 ( -1.692 0.138 -2.691) 3.182 19.747 ( -1.760 -2.796 0.599) 3.358 19.790 ( 0.521 -4.524 0.576) 4.590 19.853 ( -2.041 -1.602 -0.852) 2.731 19.903 ( 0.031 -3.582 -2.826) 4.562 20.439 ( -2.820 6.746 6.544) 9.812 20.773 ( 0.720 3.283 -6.822) 7.605 20.916 ( -0.286 0.976 2.295) 2.510 20.940 ( -2.004 1.725 -0.151) 2.649 21.180 ( 0.423 -6.068 0.503) 6.104 21.243 ( 2.606 -4.801 -1.406) 5.641 21.674 ( -1.145 -6.481 3.835) 7.618 21.799 ( -0.612 -4.570 -1.604) 4.882 22.696 ( 0.499 -1.597 0.552) 1.762 22.730 ( -0.327 -2.212 -2.791) 3.576 22.890 ( -2.470 -2.131 1.085) 3.438 22.895 ( -1.541 -0.869 0.169) 1.777 23.171 ( 0.707 0.009 3.429) 3.501 23.261 ( 0.168 2.846 -2.237) 3.624 23.361 ( -0.723 -0.098 2.023) 2.151 23.437 ( -2.265 -1.280 -1.889) 3.215 23.970 ( -0.587 2.874 1.257) 3.191 24.121 ( 0.236 -0.239 -4.167) 4.181 24.277 ( 1.260 -9.308 1.511) 9.513 24.376 ( 4.711 -5.192 0.091) 7.012 25.158 ( 0.279 2.685 2.787) 3.880 25.244 ( -1.727 0.911 -1.872) 2.705 25.267 ( -1.506 3.024 1.042) 3.535 25.438 ( 4.174 2.911 -1.665) 5.354 26.349 ( -0.323 2.673 0.978) 2.864 26.414 ( 0.184 5.095 -1.509) 5.317 26.894 ( -1.269 -0.462 5.946) 6.097 27.157 ( -6.015 -6.038 -9.401) 12.689 27.308 ( 0.453 3.955 1.189) 4.154 27.402 ( -1.265 1.772 -5.107) 5.552 27.679 ( -3.418 -7.478 4.884) 9.563 27.764 ( -0.573 -3.852 0.613) 3.942 27.914 ( -1.604 -0.074 -0.325) 1.638 27.958 ( 2.084 -3.808 4.952) 6.585 28.079 ( 0.900 -4.740 -3.993) 6.263 28.270 ( 3.290 -10.445 -6.251) 12.609 28.550 ( -2.235 4.804 11.975) 13.095 28.744 ( 0.447 3.076 6.904) 7.572 28.975 ( -6.074 15.326 -1.656) 16.568 29.296 ( 0.099 8.468 0.993) 8.527 29.333 ( -6.308 11.260 -6.413) 14.412 29.581 ( 13.359 21.323 -13.664) 28.633 30.009 ( 0.675 -6.828 -1.803) 7.094 30.079 ( 2.248 -7.726 4.020) 8.994 30.381 ( 0.949 8.271 2.469) 8.683 30.628 ( 2.218 5.201 -1.575) 5.870 30.773 ( 0.196 7.390 1.467) 7.537 30.867 ( 0.403 0.479 -1.387) 1.522 31.257 ( 1.460 -1.076 6.197) 6.457 31.304 ( -1.397 -0.491 0.928) 1.747 31.586 ( 5.395 -4.194 1.504) 6.997 31.634 ( -0.740 -3.258 -2.213) 4.007 32.187 ( -4.005 -1.222 2.487) 4.870 32.387 ( 0.122 -3.843 2.512) 4.593 32.432 ( -0.600 -3.000 -4.256) 5.242 32.649 ( 4.887 -7.120 -3.224) 9.218 36.895 ( -0.208 -0.567 0.416) 0.734 36.917 ( 0.079 -1.300 -0.437) 1.373 37.502 ( -3.421 -2.182 4.924) 6.380 37.762 ( 0.236 -7.501 -3.338) 8.213 39.383 ( -0.781 3.276 3.092) 4.572 39.570 ( 2.027 2.277 -3.134) 4.372 40.318 ( 1.377 10.981 5.625) 12.415 40.681 ( -3.268 -3.196 -15.797) 16.445 ======================= Grid point 54 (25/55) ======================= q-point: (-0.20 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -11.999 14.406 13.620) 23.173 0.929 ( -12.597 17.491 11.457) 24.411 1.380 ( -5.533 15.481 -1.106) 16.477 1.477 ( -12.309 -2.293 -5.086) 13.515 1.551 ( -8.616 10.298 -0.042) 13.427 1.663 ( -5.585 9.393 -3.309) 11.418 1.837 ( 1.732 2.756 -3.846) 5.039 1.897 ( 2.915 -1.113 4.486) 5.465 1.982 ( -5.998 6.874 0.012) 9.123 2.058 ( 1.258 0.280 0.160) 1.299 2.191 ( 3.768 3.533 -1.015) 5.264 2.340 ( -1.624 1.386 -1.567) 2.648 2.435 ( 3.752 1.233 2.508) 4.679 2.468 ( 2.409 -0.252 1.320) 2.758 2.556 ( 5.667 3.325 2.016) 6.873 2.668 ( 0.895 0.061 2.739) 2.882 2.681 ( -2.943 -4.864 -2.373) 6.160 2.725 ( 0.118 1.014 -2.477) 2.679 2.790 ( 0.181 4.287 2.095) 4.775 2.807 ( 1.941 1.506 -2.457) 3.475 2.862 ( -0.023 -2.014 0.023) 2.014 2.870 ( 0.050 -5.142 0.790) 5.203 2.970 ( 1.207 -0.595 -3.079) 3.360 3.024 ( -3.062 -0.437 -1.212) 3.322 3.066 ( 2.479 1.701 -1.221) 3.245 3.097 ( 0.469 2.332 -1.453) 2.788 3.239 ( -1.998 -0.273 -2.888) 3.522 3.336 ( 2.210 1.752 1.023) 3.001 3.405 ( -1.615 -1.517 1.709) 2.798 3.493 ( -3.163 -0.581 -2.471) 4.055 3.628 ( -0.814 -0.232 3.970) 4.060 3.666 ( -2.691 2.238 -5.442) 6.470 3.865 ( -1.252 -0.522 -1.424) 1.967 3.969 ( 0.811 -2.911 0.819) 3.130 4.023 ( 0.402 -0.164 1.358) 1.426 4.069 ( 1.384 0.134 1.245) 1.866 4.137 ( -3.679 3.224 2.731) 5.602 4.215 ( 0.327 1.197 -1.556) 1.990 4.292 ( -4.061 -0.055 3.298) 5.232 4.435 ( 4.990 7.796 -8.520) 12.580 4.599 ( 7.417 3.253 0.537) 8.117 4.720 ( 3.675 11.606 -0.047) 12.174 4.893 ( -2.248 6.012 3.145) 7.148 4.936 ( 2.656 5.226 1.929) 6.172 4.942 ( 9.954 3.746 -2.117) 10.844 5.135 ( -5.562 10.288 1.866) 11.843 5.426 ( -0.271 -1.477 5.189) 5.402 5.579 ( -2.003 2.394 2.473) 3.983 5.612 ( 5.091 -2.719 3.456) 6.727 5.711 ( 4.726 1.097 6.353) 7.994 5.849 ( -3.312 1.761 4.185) 5.620 5.904 ( 2.900 4.732 -0.328) 5.559 5.991 ( 0.214 2.874 -2.018) 3.518 6.119 ( 2.787 -3.817 -3.705) 6.006 6.271 ( -7.580 -5.463 -2.660) 9.714 6.514 ( 0.074 -2.423 4.293) 4.930 6.612 ( 1.359 -10.765 -5.406) 12.122 6.696 ( 2.035 -3.136 -0.298) 3.751 7.108 ( 0.094 -4.580 -1.727) 4.895 7.202 ( -1.707 -5.720 0.321) 5.978 7.335 ( -0.245 -0.296 2.041) 2.076 7.437 ( -0.929 5.241 1.717) 5.593 7.782 ( 2.932 -6.304 -0.069) 6.953 7.852 ( 4.824 -4.805 0.541) 6.830 8.029 ( 4.110 5.181 -2.009) 6.911 8.039 ( 2.103 0.368 0.021) 2.135 8.143 ( 0.147 -2.387 -1.474) 2.809 8.306 ( 5.396 -1.458 1.302) 5.739 8.441 ( -5.418 -0.863 6.861) 8.785 8.505 ( -2.556 2.191 0.093) 3.368 8.540 ( -6.422 1.090 0.675) 6.548 8.724 ( -7.756 -0.711 -3.985) 8.749 8.899 ( 3.155 -0.160 0.784) 3.255 9.010 ( -2.266 1.305 -0.640) 2.692 9.189 ( 6.701 -8.481 2.759) 11.155 9.372 ( 2.866 -7.626 -2.567) 8.542 9.746 ( 1.209 6.913 0.270) 7.023 9.881 ( 0.166 7.631 -1.233) 7.732 10.071 ( -5.612 0.091 1.671) 5.856 10.247 ( -6.706 -0.327 -1.963) 6.995 10.281 ( 3.712 -0.898 -1.306) 4.037 10.319 ( 5.141 0.711 -1.680) 5.455 10.508 ( -2.729 -2.096 2.512) 4.260 10.561 ( 1.460 0.545 -1.411) 2.103 10.775 ( -10.138 -1.428 -0.977) 10.285 10.842 ( -0.521 -3.119 0.889) 3.285 10.859 ( -1.857 -0.719 2.507) 3.202 11.046 ( 5.038 0.173 2.945) 5.838 11.169 ( 5.355 1.319 -0.027) 5.515 11.262 ( -1.883 -4.259 -2.494) 5.283 11.420 ( -0.674 -6.790 -2.948) 7.433 11.555 ( 3.016 5.337 0.604) 6.160 11.589 ( 0.406 -4.053 -2.936) 5.021 11.800 ( -3.853 6.531 -1.232) 7.682 12.228 ( 6.774 -0.942 0.340) 6.847 12.252 ( 10.850 1.872 -2.528) 11.297 13.076 ( 1.818 -1.938 2.857) 3.901 13.316 ( -3.024 0.609 -3.794) 4.890 13.437 ( -8.007 -2.444 1.057) 8.439 13.550 ( 1.454 -6.991 -2.125) 7.450 13.713 ( -6.092 -1.071 4.409) 7.596 13.972 ( 1.475 4.419 5.691) 7.355 14.142 ( -5.095 -4.785 -6.262) 9.385 14.373 ( 3.411 -0.806 2.425) 4.263 14.519 ( 1.191 -2.117 1.630) 2.925 14.666 ( 5.558 0.003 -0.615) 5.592 14.698 ( 3.763 1.816 0.882) 4.271 14.917 ( 0.787 -2.553 -3.309) 4.253 15.341 ( -3.608 1.551 1.660) 4.264 15.463 ( -0.827 -0.171 0.848) 1.197 15.527 ( -0.533 1.679 -2.563) 3.110 15.743 ( -2.535 0.425 -3.655) 4.468 16.393 ( -3.079 0.443 2.989) 4.314 16.527 ( 0.831 -0.253 -3.709) 3.809 16.856 ( 6.632 -4.611 0.632) 8.102 16.896 ( 5.812 -2.825 -0.319) 6.470 17.072 ( -3.175 -0.256 0.881) 3.305 17.100 ( -4.612 -0.264 0.061) 4.620 17.185 ( -5.622 1.762 0.707) 5.934 17.234 ( -0.303 -1.879 -0.492) 1.966 17.589 ( 0.530 -2.343 0.233) 2.413 17.663 ( 0.832 -1.184 1.167) 1.859 17.703 ( -2.611 1.560 1.369) 3.335 17.733 ( -0.135 0.296 -0.389) 0.508 17.781 ( 1.141 -0.288 -0.078) 1.180 17.804 ( 0.288 -0.051 -1.845) 1.869 18.036 ( -5.890 -2.726 0.626) 6.520 18.063 ( -5.369 -2.064 0.218) 5.756 18.263 ( 3.078 0.843 -0.966) 3.335 18.304 ( -0.812 0.525 -0.073) 0.970 18.672 ( 2.994 -1.131 0.213) 3.207 18.787 ( 0.248 3.298 0.655) 3.372 19.053 ( 4.192 0.315 -0.011) 4.204 19.184 ( 6.646 3.617 -0.445) 7.580 19.386 ( -0.544 -0.145 2.388) 2.454 19.433 ( -2.159 0.956 -2.660) 3.556 19.690 ( -3.776 -1.451 -0.710) 4.107 19.751 ( -3.919 -1.995 -2.356) 4.989 19.814 ( -0.621 -4.736 1.182) 4.921 19.894 ( -0.638 -1.683 -1.023) 2.070 20.417 ( -2.407 6.247 7.008) 9.692 20.747 ( 0.150 2.866 -6.264) 6.890 20.876 ( -1.607 1.966 -0.300) 2.557 20.931 ( -1.388 -0.847 1.061) 1.942 21.213 ( 1.725 -5.493 1.634) 5.985 21.291 ( 2.551 -3.892 -1.844) 5.005 21.656 ( -2.137 -6.916 3.591) 8.081 21.769 ( -1.246 -4.281 -2.085) 4.922 22.712 ( -0.165 -1.565 -1.603) 2.246 22.715 ( 1.164 -1.819 0.515) 2.220 22.834 ( -3.488 -1.805 0.123) 3.929 22.846 ( -2.674 -1.684 1.004) 3.316 23.196 ( 0.146 -3.291 4.852) 5.864 23.284 ( 1.338 1.141 0.005) 1.759 23.344 ( -1.393 -0.493 1.927) 2.428 23.378 ( -2.010 0.728 -1.427) 2.570 24.023 ( 3.982 5.508 -2.095) 7.111 24.071 ( -1.977 0.126 -2.824) 3.450 24.284 ( 4.650 -1.712 0.445) 4.975 24.561 ( 7.000 -9.522 3.510) 12.328 25.147 ( -1.865 2.374 1.947) 3.592 25.204 ( -1.216 2.857 -2.322) 3.877 25.265 ( 0.404 -0.561 3.073) 3.150 25.512 ( 2.976 0.048 -1.828) 3.493 26.343 ( -0.049 2.266 0.013) 2.267 26.412 ( -0.271 5.486 -0.516) 5.517 26.814 ( -7.053 1.426 1.918) 7.447 26.967 ( -10.417 -4.032 -5.244) 12.340 27.296 ( -1.076 4.003 0.714) 4.206 27.378 ( 0.411 3.183 -3.019) 4.406 27.637 ( -2.643 -7.688 3.641) 8.907 27.784 ( 1.854 -5.923 1.289) 6.339 27.851 ( -7.280 -7.358 -0.225) 10.353 27.948 ( 0.418 4.962 -0.795) 5.043 28.129 ( 3.144 -2.137 -1.120) 3.963 28.300 ( 1.865 -4.652 -4.286) 6.594 28.496 ( -6.443 6.285 5.878) 10.750 28.669 ( -9.411 1.383 0.927) 9.557 28.911 ( -1.298 13.576 3.840) 14.168 29.178 ( -4.517 14.075 -2.566) 15.004 29.313 ( 2.119 2.631 -1.723) 3.793 29.793 ( 14.534 27.296 -23.225) 38.674 30.042 ( -2.410 -7.053 2.706) 7.930 30.079 ( 1.853 -10.948 0.640) 11.123 30.525 ( 10.452 9.183 -1.479) 13.991 30.644 ( 0.624 6.165 -0.291) 6.203 30.730 ( -3.005 4.749 -2.485) 6.144 30.849 ( -2.597 6.213 -2.938) 7.346 31.234 ( -3.224 -2.949 4.452) 6.239 31.486 ( 12.308 -1.826 7.692) 14.628 31.606 ( 2.144 -3.178 2.075) 4.359 31.756 ( 8.685 -6.307 2.323) 10.982 32.118 ( -2.865 -0.694 -0.407) 2.976 32.363 ( -5.224 -6.478 0.802) 8.361 32.415 ( 0.718 -4.058 -1.322) 4.328 32.662 ( -3.568 -9.542 -6.753) 12.222 36.891 ( -0.323 -0.793 0.388) 0.941 36.917 ( 0.138 -1.271 -0.429) 1.349 37.421 ( -5.638 -0.970 2.991) 6.456 37.636 ( -11.857 -11.069 -6.211) 17.369 39.383 ( -0.683 3.211 2.773) 4.297 39.589 ( 0.795 1.290 -3.733) 4.029 40.346 ( 1.505 8.684 0.246) 8.817 40.552 ( -1.928 11.310 -11.929) 16.551 ======================= Grid point 55 (26/55) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -6.525 16.658 12.435) 21.788 1.248 ( -0.579 19.844 7.197) 21.117 1.503 ( 9.714 5.666 -7.707) 13.633 1.684 ( -4.145 8.559 -3.265) 10.055 1.743 ( 2.951 11.133 0.323) 11.522 1.845 ( 2.089 2.467 1.814) 3.707 1.890 ( -4.753 5.471 7.638) 10.529 1.958 ( -1.463 9.625 -2.181) 9.977 2.028 ( -0.770 14.020 -3.375) 14.441 2.240 ( 4.634 3.022 -3.895) 6.766 2.313 ( -0.887 6.759 -0.290) 6.823 2.329 ( 0.297 6.403 -1.012) 6.489 2.437 ( -4.640 0.688 1.954) 5.081 2.523 ( 3.753 -2.344 -1.320) 4.618 2.604 ( -1.223 -0.242 1.814) 2.201 2.619 ( 3.131 1.773 -0.227) 3.606 2.697 ( -2.437 -0.044 -0.227) 2.448 2.761 ( -1.208 -1.550 -0.047) 1.966 2.780 ( 0.950 1.429 0.735) 1.867 2.819 ( -2.461 2.873 1.751) 4.169 2.835 ( 2.708 -5.287 -0.440) 5.957 2.844 ( -0.123 0.132 -0.103) 0.208 2.973 ( -0.920 1.139 -1.087) 1.823 3.010 ( 1.958 2.365 4.306) 5.289 3.152 ( 2.203 -0.074 1.017) 2.427 3.172 ( 1.871 3.798 -3.785) 5.679 3.192 ( -2.369 0.701 -2.224) 3.324 3.306 ( -5.735 5.022 -2.959) 8.177 3.396 ( 0.981 0.828 -0.039) 1.284 3.459 ( 1.521 -1.468 -2.314) 3.134 3.580 ( -0.919 1.807 -1.031) 2.274 3.663 ( 1.679 0.658 -4.527) 4.873 3.909 ( 1.085 -0.137 1.971) 2.254 3.966 ( 1.311 0.914 4.342) 4.627 4.050 ( -3.137 1.353 -0.494) 3.452 4.096 ( -3.446 0.574 0.793) 3.583 4.124 ( 2.615 4.080 0.074) 4.847 4.196 ( -2.809 1.922 -2.302) 4.109 4.331 ( 2.815 2.067 1.585) 3.835 4.554 ( 0.171 2.080 -9.193) 9.427 4.740 ( 2.333 1.748 0.904) 3.052 4.885 ( -1.557 -1.152 -1.991) 2.778 5.071 ( -2.793 9.536 3.534) 10.547 5.081 ( 2.755 4.676 0.468) 5.448 5.187 ( -4.523 9.241 2.232) 10.528 5.206 ( 2.267 2.181 -0.637) 3.209 5.335 ( -1.016 5.916 2.883) 6.659 5.545 ( 0.309 -2.737 -4.467) 5.248 5.650 ( 0.650 -1.875 7.301) 7.566 5.799 ( -1.101 4.126 6.264) 7.581 5.926 ( -2.212 5.324 2.236) 6.183 5.980 ( -2.727 -3.414 -2.543) 5.056 6.059 ( 3.423 -1.500 -1.537) 4.041 6.105 ( 2.390 -0.920 -1.676) 3.061 6.185 ( 2.917 -1.540 6.071) 6.909 6.355 ( -3.483 -4.253 1.115) 5.609 6.469 ( 4.646 -4.233 1.054) 6.373 6.589 ( -2.091 -4.544 -3.502) 6.106 6.991 ( 2.525 -12.229 -0.378) 12.493 7.063 ( -0.694 -12.691 -2.276) 12.912 7.347 ( 0.933 0.284 6.338) 6.412 7.563 ( -4.863 -0.101 -2.416) 5.431 7.613 ( 3.710 -1.048 0.636) 3.907 7.698 ( -1.460 -6.449 -2.553) 7.088 8.041 ( -2.351 -5.298 3.239) 6.639 8.184 ( 3.013 -4.263 -1.567) 5.450 8.209 ( 3.896 1.612 2.007) 4.670 8.342 ( -3.218 3.077 -1.403) 4.668 8.365 ( -4.754 1.761 4.316) 6.658 8.467 ( 2.054 -3.166 4.542) 5.905 8.574 ( 2.056 1.454 -1.791) 3.090 8.633 ( 0.601 -0.118 -3.209) 3.267 8.996 ( 0.802 3.484 1.319) 3.811 9.095 ( 0.260 0.020 2.597) 2.610 9.170 ( 0.208 2.214 -4.379) 4.911 9.242 ( -1.267 -1.952 -1.877) 2.990 9.736 ( -4.346 2.995 4.069) 6.664 9.917 ( 0.769 1.232 -3.683) 3.959 10.047 ( -1.283 1.256 0.343) 1.828 10.124 ( 3.970 -0.689 -2.413) 4.697 10.372 ( 0.709 -1.349 2.151) 2.636 10.456 ( 3.063 -2.017 -0.970) 3.793 10.515 ( -3.745 1.013 -0.060) 3.880 10.551 ( -2.212 6.513 -0.762) 6.921 10.637 ( 6.892 -0.762 0.876) 6.989 10.688 ( -4.600 -4.456 -0.246) 6.409 10.827 ( 0.195 -1.021 0.159) 1.051 11.065 ( -4.630 -3.130 -3.033) 6.359 11.178 ( 1.424 -2.611 -1.321) 3.254 11.259 ( 2.024 -1.824 -3.189) 4.195 11.261 ( 5.499 -1.256 2.347) 6.109 11.424 ( -5.153 -4.111 -3.161) 7.310 11.763 ( 1.562 5.102 4.536) 7.003 11.906 ( -1.065 4.839 -1.256) 5.112 12.165 ( -0.663 -6.552 2.408) 7.012 12.305 ( 0.565 -4.555 -2.963) 5.463 13.116 ( -2.160 0.408 4.466) 4.978 13.277 ( -0.985 -2.557 -1.042) 2.932 13.321 ( -0.015 -2.844 -0.252) 2.855 13.495 ( 5.932 -1.849 -7.689) 9.886 13.698 ( 2.246 3.382 2.908) 4.994 13.866 ( -8.831 0.493 -3.090) 9.369 14.239 ( 6.616 2.087 5.692) 8.973 14.403 ( -1.913 2.359 -1.601) 3.433 14.527 ( 3.527 -3.803 0.985) 5.280 14.657 ( -2.587 -3.421 -0.401) 4.307 14.699 ( -8.720 -6.297 1.170) 10.819 14.766 ( 5.417 -3.296 0.035) 6.342 15.383 ( 0.960 1.798 2.963) 3.596 15.446 ( 0.742 -1.162 4.475) 4.682 15.598 ( -0.160 3.502 -5.195) 6.267 15.693 ( 0.114 0.064 -4.998) 5.000 16.391 ( -0.441 2.590 2.464) 3.602 16.532 ( 0.847 0.507 -2.803) 2.972 16.828 ( 0.807 -6.127 1.398) 6.336 16.897 ( 0.386 -6.344 -1.572) 6.548 17.030 ( -1.607 3.872 1.698) 4.523 17.109 ( -2.636 4.645 -1.717) 5.610 17.158 ( 1.351 2.268 1.140) 2.876 17.213 ( 1.138 -0.833 -0.755) 1.599 17.585 ( 1.012 -4.283 1.461) 4.637 17.644 ( -3.921 -3.014 1.558) 5.185 17.664 ( 0.630 -3.140 -1.449) 3.515 17.717 ( 2.844 -0.425 0.147) 2.879 17.762 ( -0.008 -2.597 -0.309) 2.615 17.790 ( -0.271 -1.078 -0.735) 1.333 17.882 ( -1.841 -1.507 0.890) 2.540 17.899 ( 2.423 -1.905 -0.114) 3.084 18.339 ( -1.321 3.981 1.574) 4.480 18.380 ( 1.000 3.385 -0.277) 3.540 18.723 ( 1.769 -1.931 2.004) 3.298 18.818 ( -1.355 -1.484 -1.776) 2.682 19.152 ( 0.725 5.321 2.178) 5.795 19.294 ( -0.967 4.086 -2.953) 5.133 19.378 ( -1.264 0.081 2.073) 2.429 19.451 ( 1.924 0.395 -0.519) 2.032 19.602 ( 0.398 -1.638 -0.596) 1.788 19.633 ( -0.753 -2.712 -2.232) 3.592 19.781 ( 0.215 -1.460 1.384) 2.023 19.843 ( 0.030 -1.279 -1.297) 1.822 20.544 ( -0.891 7.064 4.953) 8.673 20.773 ( 0.601 0.877 -4.359) 4.487 20.867 ( 0.460 -1.519 0.126) 1.592 20.890 ( -0.737 0.443 -0.223) 0.888 21.143 ( -0.272 -4.398 1.584) 4.683 21.234 ( 1.560 -4.587 -2.606) 5.501 21.469 ( -1.978 -8.798 4.661) 10.151 21.634 ( 0.694 -7.208 -2.364) 7.617 22.661 ( -0.406 -1.895 -0.099) 1.941 22.709 ( 1.232 -2.657 -1.264) 3.189 22.752 ( 1.205 -3.487 1.798) 4.104 22.766 ( -0.665 -2.256 0.649) 2.439 23.152 ( -1.840 0.100 4.135) 4.527 23.301 ( 1.023 -1.167 -1.684) 2.290 23.328 ( -0.009 -0.992 0.918) 1.351 23.381 ( 0.811 -1.471 -0.703) 1.821 23.984 ( -0.372 -0.531 -0.159) 0.667 24.099 ( -1.910 2.316 -6.250) 6.934 24.378 ( 2.466 -7.860 3.515) 8.956 24.422 ( 0.232 -8.920 1.049) 8.985 25.191 ( -1.410 4.417 1.243) 4.800 25.244 ( -0.425 2.840 0.214) 2.879 25.298 ( 1.720 1.693 2.695) 3.618 25.455 ( -1.087 -1.702 -2.626) 3.312 26.448 ( 1.741 3.195 0.306) 3.651 26.517 ( -1.138 6.329 -2.098) 6.764 26.745 ( -4.092 1.068 3.865) 5.729 26.891 ( 4.298 2.731 -1.976) 5.462 27.431 ( -1.649 7.715 0.510) 7.906 27.474 ( 0.349 4.181 -0.389) 4.213 27.523 ( 2.439 -2.310 1.515) 3.685 27.585 ( -0.272 -4.356 -1.570) 4.638 27.910 ( 2.098 7.286 4.196) 8.665 28.099 ( -1.752 -0.761 -2.783) 3.375 28.128 ( -0.243 3.869 -0.603) 3.924 28.252 ( 1.246 -1.713 -3.446) 4.045 28.511 ( -9.766 4.850 5.940) 12.417 28.582 ( 3.840 3.639 0.845) 5.357 29.237 ( 2.121 12.106 2.345) 12.512 29.352 ( -0.193 4.920 -2.668) 5.600 29.455 ( -0.029 10.639 7.845) 13.218 29.805 ( -6.547 -6.036 4.552) 10.001 30.041 ( 4.316 1.280 -5.013) 6.738 30.284 ( 11.463 9.040 -25.403) 29.299 30.668 ( -2.178 0.806 1.021) 2.537 30.737 ( 1.991 1.615 -2.017) 3.262 30.819 ( -0.513 8.430 1.434) 8.566 30.956 ( -7.553 9.646 -2.150) 12.438 31.162 ( 1.885 -2.857 4.725) 5.834 31.444 ( -2.400 -5.570 -5.579) 8.241 31.611 ( -7.614 -9.984 6.157) 13.985 31.675 ( 4.365 -10.744 2.295) 11.822 32.033 ( 1.378 -0.133 1.693) 2.187 32.156 ( -0.502 1.450 -3.525) 3.845 32.335 ( 0.437 -5.423 2.427) 5.958 32.482 ( -0.837 -3.365 -4.087) 5.360 36.868 ( 0.090 -1.143 0.153) 1.157 36.878 ( -0.419 -1.805 0.016) 1.853 37.335 ( -1.774 -1.648 1.344) 2.769 37.394 ( 1.852 -1.733 -0.912) 2.695 39.458 ( -0.619 4.275 2.002) 4.761 39.575 ( -0.306 0.582 -2.020) 2.125 40.555 ( 0.343 9.001 1.469) 9.127 40.767 ( 3.002 5.464 -7.661) 9.877 ======================= Grid point 56 (27/55) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 3.571 16.720 6.674) 18.354 1.353 ( 3.118 15.016 5.788) 16.392 1.515 ( -2.478 7.908 -6.694) 10.653 1.656 ( -1.927 5.987 1.726) 6.522 1.763 ( 1.392 8.461 -5.475) 10.174 1.823 ( -4.680 1.318 1.486) 5.084 1.868 ( 2.592 10.585 2.738) 11.236 1.959 ( 2.016 4.538 1.033) 5.072 2.132 ( 8.870 5.917 -0.705) 10.686 2.202 ( -5.369 6.648 -0.896) 8.592 2.303 ( 4.103 1.289 -2.698) 5.077 2.331 ( -4.908 0.251 2.832) 5.672 2.417 ( 2.007 3.791 -0.110) 4.291 2.520 ( -4.985 4.280 -1.333) 6.704 2.551 ( -2.059 -3.355 0.985) 4.058 2.648 ( -2.518 -0.627 -0.183) 2.601 2.693 ( 1.871 1.979 2.296) 3.562 2.739 ( 0.612 -2.599 -0.120) 2.672 2.771 ( -2.723 0.509 -0.127) 2.773 2.817 ( 2.141 0.324 0.160) 2.172 2.862 ( 0.373 -3.534 -1.394) 3.818 2.894 ( 3.961 6.900 4.223) 9.008 2.978 ( 2.580 3.353 -2.702) 5.020 3.057 ( -1.286 1.844 3.406) 4.081 3.096 ( -3.995 1.044 -1.151) 4.287 3.135 ( -0.969 0.166 -2.145) 2.359 3.221 ( 1.938 1.903 2.106) 3.437 3.293 ( 4.026 4.831 -3.327) 7.115 3.406 ( 0.012 0.226 -1.229) 1.250 3.490 ( 2.355 -2.874 -3.164) 4.881 3.553 ( -0.630 2.364 -0.920) 2.614 3.711 ( 3.724 0.409 -2.990) 4.794 3.912 ( -0.797 0.353 1.540) 1.770 3.958 ( -4.313 0.482 -2.785) 5.157 4.008 ( 0.514 0.170 3.566) 3.607 4.079 ( 0.949 -0.310 2.263) 2.474 4.142 ( -0.624 0.449 -1.651) 1.821 4.223 ( 4.132 6.479 4.294) 8.803 4.367 ( 1.757 3.980 -1.761) 4.694 4.451 ( -4.107 0.509 -7.173) 8.281 4.778 ( -5.069 1.086 -4.537) 6.889 4.791 ( 1.241 1.117 3.493) 3.872 4.985 ( -9.132 5.534 2.749) 11.026 5.077 ( 0.405 6.441 -1.864) 6.717 5.192 ( -3.358 1.269 4.250) 5.563 5.200 ( 1.294 5.211 4.046) 6.724 5.395 ( 4.256 9.419 0.497) 10.348 5.523 ( -0.317 -3.294 -2.986) 4.457 5.678 ( -0.987 1.759 3.288) 3.858 5.778 ( -2.200 2.846 6.424) 7.362 5.881 ( -2.417 7.751 3.321) 8.772 5.991 ( 1.709 -4.001 -2.576) 5.056 6.061 ( -0.112 2.238 -1.347) 2.615 6.139 ( -0.036 -0.003 0.392) 0.393 6.195 ( -0.750 -1.018 1.242) 1.772 6.356 ( 0.165 -4.301 -3.947) 5.840 6.531 ( 4.602 -0.468 0.239) 4.632 6.650 ( 3.031 -8.854 0.193) 9.361 6.978 ( -4.649 -10.084 -0.757) 11.130 7.026 ( 1.206 -12.047 -0.172) 12.109 7.401 ( 0.934 0.102 5.467) 5.547 7.446 ( -4.428 1.114 -2.572) 5.240 7.643 ( 2.038 -8.202 -1.005) 8.511 7.733 ( 2.790 -2.960 -0.079) 4.068 7.965 ( -3.897 -2.898 2.260) 5.357 8.163 ( -6.490 -1.585 0.509) 6.700 8.210 ( -3.413 4.333 -0.629) 5.551 8.262 ( -2.869 -0.788 0.347) 2.995 8.350 ( 2.225 -0.085 2.217) 3.143 8.537 ( 1.214 -3.223 4.758) 5.873 8.593 ( -2.674 -1.094 -0.586) 2.948 8.629 ( 2.662 -5.008 -2.183) 6.077 8.992 ( -1.474 1.103 1.837) 2.601 9.033 ( -0.359 3.920 -0.902) 4.038 9.116 ( -2.860 0.485 0.499) 2.944 9.282 ( -1.449 0.852 -5.131) 5.399 9.737 ( 3.652 5.609 1.136) 6.789 9.952 ( 2.518 -3.032 -0.689) 4.001 10.061 ( 2.903 -1.029 1.340) 3.359 10.207 ( 2.457 -1.100 -2.396) 3.604 10.331 ( -0.892 1.603 1.938) 2.669 10.394 ( -2.207 -0.135 -0.940) 2.403 10.472 ( -0.457 -1.563 -0.181) 1.639 10.574 ( -4.156 2.095 0.341) 4.667 10.668 ( 4.885 -1.391 -1.264) 5.234 10.799 ( 1.305 -2.625 -1.797) 3.439 10.906 ( 7.811 -2.768 2.936) 8.791 11.013 ( 1.638 3.455 -1.964) 4.298 11.096 ( -5.087 -3.445 -1.920) 6.436 11.267 ( -0.965 2.580 -2.431) 3.674 11.345 ( 1.985 -0.327 -1.741) 2.661 11.408 ( 4.472 -4.583 0.674) 6.439 11.786 ( -0.431 3.103 4.027) 5.101 11.850 ( -0.907 3.778 -2.500) 4.620 12.154 ( -3.971 -1.521 0.138) 4.254 12.283 ( -1.762 -2.717 -1.673) 3.645 13.050 ( -5.303 0.012 4.281) 6.815 13.301 ( 3.249 -3.865 -1.998) 5.430 13.378 ( 5.817 -4.296 -0.832) 7.279 13.520 ( -1.532 1.720 -3.858) 4.494 13.720 ( -2.227 -2.122 4.214) 5.218 13.790 ( 5.810 -0.689 -1.295) 5.993 14.269 ( -10.647 -2.600 2.031) 11.146 14.310 ( -5.887 -3.518 -1.420) 7.003 14.506 ( -4.545 -1.085 3.381) 5.767 14.560 ( 2.979 0.159 -1.728) 3.448 14.717 ( 2.358 -0.899 -1.027) 2.725 14.845 ( 2.776 -3.980 0.553) 4.884 15.408 ( 0.259 3.443 1.548) 3.784 15.527 ( 3.689 -0.626 4.435) 5.803 15.555 ( -0.411 3.134 -3.523) 4.733 15.715 ( 3.275 -1.172 -4.940) 6.042 16.414 ( 1.536 2.278 1.829) 3.301 16.538 ( 1.070 -0.328 -2.498) 2.737 16.783 ( -5.926 -4.860 0.657) 7.693 16.811 ( -6.167 -5.472 -0.919) 8.296 17.023 ( 0.517 -0.239 1.474) 1.580 17.072 ( -0.749 0.561 0.059) 0.938 17.205 ( 2.148 -0.170 -0.742) 2.279 17.257 ( 1.629 1.734 -0.017) 2.380 17.536 ( -2.827 -3.626 -0.475) 4.622 17.587 ( 1.348 -4.412 1.350) 4.807 17.719 ( 2.101 1.537 0.590) 2.669 17.774 ( 3.927 1.347 -0.141) 4.154 17.794 ( 1.497 1.362 0.318) 2.049 17.834 ( 2.978 0.746 -1.780) 3.548 17.936 ( 8.258 -3.223 1.049) 8.927 18.058 ( 10.371 -5.175 -0.729) 11.613 18.270 ( -5.665 4.365 0.921) 7.211 18.347 ( -4.023 2.356 0.108) 4.663 18.689 ( -6.154 -3.304 0.602) 7.011 18.752 ( -4.901 -3.231 -0.508) 5.893 19.167 ( -0.135 6.329 2.799) 6.921 19.237 ( -1.799 5.633 -2.487) 6.415 19.373 ( -0.558 1.788 0.613) 1.971 19.480 ( 1.662 -0.008 -0.813) 1.850 19.631 ( 2.892 -3.000 -0.294) 4.177 19.671 ( 2.766 -2.339 -0.497) 3.657 19.763 ( -0.236 -1.281 -0.272) 1.330 19.862 ( 0.920 -3.204 -0.785) 3.425 20.566 ( 0.456 7.125 4.983) 8.706 20.782 ( 2.254 0.741 -3.738) 4.427 20.887 ( 1.461 -0.550 -0.770) 1.741 20.908 ( 2.469 -0.374 0.556) 2.558 21.120 ( -2.514 -4.484 1.011) 5.239 21.220 ( -1.708 -3.327 -2.634) 4.574 21.472 ( -0.015 -9.146 4.619) 10.247 21.651 ( 1.859 -7.510 -2.008) 7.993 22.658 ( 0.031 -1.627 0.229) 1.643 22.715 ( 0.005 -2.336 -1.711) 2.895 22.768 ( 1.895 -3.787 0.924) 4.334 22.834 ( 3.671 -3.788 0.581) 5.306 23.140 ( -0.837 0.986 3.039) 3.303 23.315 ( 0.974 -0.993 -0.447) 1.461 23.354 ( 2.087 -1.435 0.318) 2.552 23.398 ( 1.133 -2.840 -1.180) 3.278 23.971 ( -0.905 -0.447 0.202) 1.029 24.011 ( -3.561 2.191 -3.016) 5.155 24.315 ( -6.982 -6.457 0.309) 9.515 24.409 ( -3.661 -9.859 1.109) 10.575 25.177 ( -0.028 4.642 0.606) 4.681 25.275 ( 2.742 3.199 1.436) 4.451 25.343 ( 0.934 2.145 1.744) 2.919 25.448 ( 1.343 0.074 -2.749) 3.061 26.439 ( -1.437 4.440 0.612) 4.707 26.504 ( 0.390 4.630 -1.294) 4.823 26.733 ( 1.646 1.239 1.693) 2.667 27.028 ( 6.940 -4.962 -1.185) 8.614 27.380 ( -2.297 4.672 0.113) 5.207 27.471 ( 0.171 3.328 0.088) 3.333 27.581 ( 1.835 -1.238 2.330) 3.214 27.642 ( 5.201 -4.178 -1.981) 6.959 27.914 ( -3.176 6.349 1.858) 7.338 28.039 ( -3.902 3.301 -0.296) 5.119 28.095 ( -0.965 -4.421 -1.254) 4.696 28.207 ( -3.170 -0.439 -4.334) 5.388 28.402 ( -2.434 6.889 6.506) 9.783 28.755 ( 9.214 7.525 3.438) 12.383 29.312 ( 4.392 11.552 2.970) 12.710 29.374 ( 3.556 6.121 -3.349) 7.831 29.506 ( 1.896 9.008 6.354) 11.185 29.704 ( -4.724 -4.493 -0.248) 6.524 30.066 ( -0.047 3.326 -4.545) 5.632 30.298 ( -0.073 9.219 -22.224) 24.060 30.598 ( -5.965 2.695 0.855) 6.601 30.683 ( -5.576 1.032 0.056) 5.671 30.833 ( 1.172 6.888 2.559) 7.441 30.853 ( 0.597 8.043 1.187) 8.152 31.232 ( 0.389 -3.347 4.573) 5.681 31.315 ( -6.149 -2.791 -0.533) 6.774 31.508 ( -0.409 -5.276 1.554) 5.515 31.662 ( -5.411 -5.614 1.121) 7.877 32.142 ( 3.642 -3.162 1.155) 4.960 32.196 ( 5.745 -1.624 -1.140) 6.078 32.362 ( 1.414 -5.623 1.449) 5.977 32.455 ( -0.176 -3.348 -4.020) 5.234 36.876 ( 0.477 -0.840 0.286) 1.008 36.878 ( 0.328 -1.758 -0.037) 1.788 37.349 ( 2.496 -1.971 1.308) 3.439 37.502 ( 7.526 -4.322 -1.514) 8.810 39.457 ( -0.504 4.241 2.533) 4.966 39.570 ( 0.697 0.903 -2.135) 2.421 40.529 ( -2.066 11.281 -0.674) 11.489 40.775 ( 0.315 1.032 -5.204) 5.315 ======================= Grid point 57 (28/55) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 11.791 8.738 1.335) 14.736 1.367 ( -0.241 5.953 0.843) 6.017 1.496 ( -1.256 10.887 -0.424) 10.967 1.560 ( -5.475 6.468 -0.957) 8.528 1.643 ( -7.487 7.839 1.371) 10.926 1.847 ( 4.396 6.153 -2.745) 8.045 1.955 ( 4.473 7.936 -4.079) 9.981 2.016 ( 3.043 1.134 1.887) 3.756 2.079 ( -5.808 3.490 -2.293) 7.153 2.242 ( -5.038 -2.800 -1.560) 5.971 2.262 ( 2.044 3.580 0.842) 4.207 2.386 ( 2.326 1.631 1.062) 3.033 2.396 ( -1.508 1.238 0.966) 2.177 2.435 ( -2.495 -2.312 4.795) 5.879 2.529 ( 0.859 0.031 1.432) 1.670 2.632 ( -1.249 0.527 0.456) 1.430 2.697 ( 0.348 2.805 0.951) 2.982 2.730 ( -1.657 -1.834 -0.002) 2.472 2.752 ( 0.192 -0.008 2.170) 2.178 2.848 ( -0.890 1.508 -2.147) 2.771 2.861 ( 2.015 0.448 -0.349) 2.094 2.967 ( -2.739 4.743 -0.010) 5.477 3.005 ( 1.121 -0.485 -0.256) 1.248 3.038 ( -0.783 -1.484 -0.162) 1.686 3.050 ( 4.225 2.338 -1.022) 4.936 3.139 ( -0.851 4.446 -2.125) 5.001 3.284 ( 4.091 4.630 3.593) 7.148 3.341 ( 0.168 0.709 0.692) 1.005 3.382 ( -1.549 4.879 -0.541) 5.148 3.509 ( 1.742 -3.059 -5.342) 6.398 3.554 ( 0.221 0.157 1.634) 1.656 3.760 ( 3.146 -1.268 -1.170) 3.588 3.875 ( -2.363 -0.196 -3.092) 3.896 3.917 ( 1.244 -1.242 -0.166) 1.765 3.997 ( -3.097 -1.804 1.024) 3.728 4.119 ( -0.105 -0.386 -1.869) 1.911 4.149 ( 1.478 3.942 3.114) 5.237 4.285 ( 2.886 5.293 4.043) 7.259 4.384 ( 1.769 2.550 0.453) 3.136 4.478 ( 5.725 4.234 -2.498) 7.546 4.683 ( -4.680 3.736 -2.020) 6.320 4.748 ( -3.662 5.026 -1.147) 6.324 4.893 ( -0.302 5.466 0.453) 5.493 5.039 ( -4.191 3.257 -2.095) 5.707 5.154 ( -2.634 3.830 6.465) 7.963 5.260 ( 5.279 3.432 4.175) 7.555 5.394 ( -7.008 2.991 2.166) 7.921 5.524 ( 3.206 -1.303 -1.210) 3.666 5.700 ( 1.763 8.680 -0.398) 8.866 5.752 ( -4.086 6.618 4.943) 9.216 5.887 ( 1.538 6.832 2.686) 7.501 5.970 ( -3.716 -5.386 2.713) 7.084 6.047 ( 0.065 -5.366 -3.552) 6.436 6.091 ( -1.717 8.273 -2.816) 8.906 6.235 ( 2.915 -1.048 -3.924) 4.999 6.345 ( 1.323 -2.233 -3.793) 4.596 6.570 ( -4.134 -3.782 2.652) 6.199 6.640 ( 1.428 -0.785 -0.430) 1.685 6.946 ( -0.769 -10.075 2.120) 10.324 7.058 ( 2.092 -12.014 -1.776) 12.323 7.394 ( 0.037 -0.919 -0.213) 0.944 7.432 ( 0.344 -0.520 0.591) 0.859 7.678 ( 1.065 -2.480 1.392) 3.037 7.760 ( -0.189 -3.741 0.810) 3.832 7.914 ( -3.345 -2.299 2.128) 4.583 8.060 ( -2.420 -1.766 2.880) 4.155 8.139 ( -1.747 2.687 -2.707) 4.195 8.239 ( -0.668 -0.413 -2.010) 2.158 8.396 ( 2.866 -9.119 0.561) 9.575 8.510 ( -3.866 -3.029 2.020) 5.310 8.576 ( -0.104 -4.720 2.168) 5.196 8.669 ( 0.923 -9.887 -0.747) 9.958 8.952 ( -4.235 4.680 3.380) 7.160 9.017 ( -1.548 1.288 0.739) 2.145 9.127 ( 5.158 5.464 -3.160) 8.152 9.191 ( -2.737 4.077 -3.711) 6.156 9.835 ( 4.590 4.361 -0.872) 6.391 9.987 ( 1.477 -2.800 -2.577) 4.082 10.129 ( 1.188 -4.281 5.796) 7.303 10.213 ( 0.777 -2.249 0.246) 2.393 10.343 ( -2.489 -2.443 1.484) 3.791 10.375 ( 0.718 -2.692 -3.449) 4.434 10.450 ( -3.500 3.117 2.333) 5.235 10.549 ( 4.272 5.765 -2.270) 7.526 10.673 ( -5.448 -3.091 -0.440) 6.279 10.811 ( 4.966 -1.021 -4.148) 6.550 10.892 ( -2.591 1.524 2.328) 3.802 11.058 ( 1.029 -0.041 -0.320) 1.078 11.122 ( 1.116 2.861 3.831) 4.910 11.295 ( 4.832 -2.002 -4.095) 6.643 11.389 ( 1.736 -0.390 -2.098) 2.751 11.439 ( 0.651 -3.321 -1.899) 3.880 11.793 ( -1.456 5.162 1.716) 5.631 11.923 ( 6.888 4.038 -0.247) 7.988 12.007 ( -5.509 1.822 -2.738) 6.416 12.209 ( -5.135 1.464 -0.816) 5.402 12.994 ( -2.458 -1.564 5.441) 6.172 13.319 ( 0.245 -3.574 -6.205) 7.165 13.441 ( -2.243 -3.121 2.485) 4.577 13.546 ( 8.827 -6.654 -4.447) 11.915 13.748 ( -0.019 -3.527 7.707) 8.476 13.912 ( 2.028 -2.778 -0.803) 3.532 14.036 ( -5.764 -3.049 2.199) 6.882 14.180 ( -5.627 -6.312 -1.524) 8.592 14.518 ( 2.793 3.569 1.446) 4.757 14.605 ( 1.491 -0.071 -1.160) 1.890 14.692 ( -3.384 1.607 1.316) 3.971 14.875 ( 0.414 -2.773 -2.540) 3.783 15.425 ( 1.917 2.601 -0.792) 3.327 15.563 ( -1.327 -0.926 -0.651) 1.744 15.580 ( 1.358 2.196 2.547) 3.627 15.744 ( 1.840 0.429 -3.022) 3.564 16.463 ( 2.357 1.159 0.910) 2.780 16.550 ( 1.084 -1.479 -2.402) 3.022 16.649 ( -4.970 -3.445 0.122) 6.048 16.702 ( -4.625 -3.418 -0.385) 5.764 17.053 ( 0.949 -0.894 1.441) 1.943 17.084 ( 2.338 -3.661 0.597) 4.384 17.205 ( -3.636 -4.596 1.204) 5.983 17.252 ( 0.804 -3.526 -1.545) 3.932 17.562 ( 3.834 1.989 -0.171) 4.323 17.648 ( 2.100 -0.614 0.051) 2.189 17.734 ( -0.494 1.747 0.625) 1.920 17.789 ( -0.155 1.177 -0.305) 1.225 17.883 ( 5.544 3.482 0.515) 6.567 17.941 ( 6.676 3.352 -0.384) 7.480 18.063 ( 1.723 0.415 0.026) 1.772 18.098 ( -7.748 4.155 1.062) 8.856 18.264 ( 1.222 -2.117 0.283) 2.461 18.312 ( 7.857 -2.403 -1.518) 8.356 18.552 ( -6.112 -5.786 0.353) 8.424 18.598 ( -9.376 -6.078 -0.704) 11.196 19.162 ( -1.373 6.863 1.053) 7.078 19.217 ( 0.342 7.327 -2.813) 7.856 19.377 ( 0.731 2.732 2.323) 3.660 19.510 ( 1.216 0.328 -1.177) 1.724 19.677 ( 0.176 -3.503 0.939) 3.631 19.691 ( 1.176 -3.488 0.641) 3.736 19.801 ( 3.118 -2.254 -1.319) 4.067 19.852 ( -1.256 -3.395 -1.134) 3.793 20.593 ( -0.444 7.430 4.885) 8.903 20.821 ( 2.833 1.430 -3.202) 4.508 20.911 ( 1.219 -0.170 -0.869) 1.507 20.968 ( 2.430 -0.855 0.712) 2.672 21.065 ( -2.756 -5.673 0.669) 6.342 21.159 ( -2.364 -2.454 -2.805) 4.413 21.500 ( 0.256 -9.335 4.616) 10.417 21.674 ( 1.115 -8.076 -2.009) 8.396 22.660 ( 0.023 -1.561 -0.120) 1.566 22.704 ( -0.248 -1.626 -1.595) 2.291 22.816 ( 1.771 -4.094 1.666) 4.761 22.876 ( 0.244 -3.244 0.035) 3.254 23.158 ( 1.297 1.508 2.278) 3.024 23.331 ( 0.002 -0.391 0.627) 0.739 23.371 ( -0.324 -0.189 -3.232) 3.254 23.409 ( 0.480 -3.243 -1.403) 3.566 23.959 ( 0.981 -1.973 0.778) 2.337 23.993 ( 1.888 -2.097 2.018) 3.469 24.181 ( -5.410 -2.584 -0.451) 6.012 24.305 ( -5.390 -8.898 -1.808) 10.559 25.196 ( 1.418 4.684 1.009) 4.998 25.331 ( -0.754 2.666 -1.309) 3.065 25.344 ( 1.148 4.412 2.688) 5.293 25.467 ( 1.409 2.915 -1.802) 3.705 26.426 ( -0.745 4.105 1.626) 4.477 26.515 ( 1.287 4.806 -2.081) 5.393 26.784 ( 1.941 -3.559 3.387) 5.283 27.090 ( 0.432 -8.460 -3.634) 9.218 27.363 ( 0.443 3.216 0.732) 3.328 27.483 ( 0.298 2.857 -1.298) 3.152 27.599 ( -1.327 -3.795 3.236) 5.161 27.708 ( 1.186 -3.789 -0.748) 4.041 27.882 ( 0.457 3.579 1.332) 3.846 27.961 ( -2.150 -1.005 -0.639) 2.458 28.046 ( -2.960 -0.378 -4.443) 5.352 28.128 ( -1.780 -1.963 -3.784) 4.619 28.497 ( 5.255 6.291 14.536) 16.688 28.892 ( 2.480 9.064 2.407) 9.701 29.331 ( -2.167 8.888 -0.150) 9.150 29.533 ( 5.292 12.710 1.746) 13.879 29.579 ( 3.543 9.358 -0.145) 10.007 29.630 ( 4.524 -1.381 -7.688) 9.027 29.990 ( -5.374 1.310 -1.036) 5.628 30.094 ( -10.431 4.295 -5.755) 12.664 30.517 ( -1.706 5.027 0.854) 5.377 30.654 ( 3.433 3.412 -4.943) 6.917 30.878 ( 3.280 5.941 0.103) 6.787 30.902 ( -0.497 5.521 3.991) 6.830 31.174 ( -1.160 -2.828 1.866) 3.581 31.319 ( 0.028 -2.664 2.945) 3.971 31.523 ( -1.949 -3.969 -2.742) 5.203 31.550 ( -1.985 -3.316 0.833) 3.953 32.175 ( -0.045 -2.555 1.467) 2.947 32.288 ( 2.087 -3.114 2.674) 4.605 32.387 ( 0.160 -5.342 -3.621) 6.456 32.453 ( 2.555 -4.782 -1.323) 5.581 36.883 ( 0.122 -0.932 0.155) 0.953 36.887 ( 0.373 -1.123 0.104) 1.188 37.416 ( 2.342 -3.656 2.920) 5.233 37.610 ( 3.598 -6.698 -2.810) 8.106 39.460 ( -0.579 4.160 2.915) 5.113 39.580 ( 1.214 0.968 -1.876) 2.436 40.515 ( 1.414 11.926 -0.807) 12.037 40.722 ( -2.871 -0.696 -4.719) 5.567 ======================= Grid point 58 (29/55) ======================= q-point: (-0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -9.287 9.031 1.244) 13.014 1.395 ( -3.517 13.168 2.033) 13.781 1.435 ( 3.383 2.938 -2.590) 5.176 1.554 ( 3.709 5.985 -0.214) 7.044 1.653 ( 4.800 5.917 3.205) 8.266 1.872 ( -8.837 8.958 -3.925) 13.182 1.888 ( 1.965 4.277 -2.821) 5.488 2.033 ( 2.168 3.246 -1.918) 4.349 2.132 ( 5.084 0.583 0.657) 5.159 2.150 ( 0.286 0.368 -2.157) 2.207 2.290 ( -2.933 5.280 1.236) 6.165 2.351 ( -6.933 -1.193 2.038) 7.324 2.392 ( 6.377 2.948 1.803) 7.253 2.462 ( 2.108 1.000 2.228) 3.226 2.573 ( -1.862 0.676 -0.021) 1.981 2.661 ( 5.186 -2.125 2.479) 6.128 2.695 ( 0.399 2.278 1.528) 2.772 2.729 ( -0.866 0.728 2.414) 2.666 2.770 ( -0.993 -1.626 -0.966) 2.136 2.809 ( -1.154 1.050 -1.756) 2.349 2.840 ( -2.693 1.272 -0.990) 3.139 2.910 ( 0.572 -0.007 -0.247) 0.623 2.992 ( -3.893 4.723 -0.627) 6.153 3.055 ( -2.366 -0.183 -1.275) 2.694 3.067 ( 2.632 -1.464 -0.197) 3.018 3.157 ( 3.850 4.554 -1.444) 6.136 3.250 ( -5.442 3.246 2.179) 6.701 3.361 ( 0.168 0.892 1.122) 1.444 3.427 ( 4.140 8.001 0.314) 9.014 3.504 ( 0.080 -2.515 -5.518) 6.064 3.584 ( 1.495 -0.968 4.034) 4.410 3.786 ( -1.724 -0.185 -4.675) 4.987 3.860 ( 1.422 -3.493 0.467) 3.800 3.904 ( -1.900 -1.941 -2.396) 3.622 3.977 ( 1.760 -0.134 1.932) 2.617 4.091 ( 0.140 2.475 -2.798) 3.738 4.182 ( -0.185 1.597 4.950) 5.205 4.319 ( -1.577 2.535 0.853) 3.105 4.470 ( -3.855 8.543 1.093) 9.436 4.542 ( 4.687 3.766 1.167) 6.125 4.588 ( 1.845 6.737 -1.765) 7.205 4.713 ( 0.983 2.210 -5.412) 5.928 4.939 ( 1.352 4.636 0.069) 4.829 4.997 ( 4.774 5.893 -0.509) 7.601 5.079 ( -6.219 3.021 6.320) 9.367 5.287 ( -2.434 -2.200 3.670) 4.923 5.437 ( 6.833 5.271 1.706) 8.797 5.590 ( 1.712 -0.211 0.160) 1.732 5.617 ( -6.379 7.077 2.162) 9.770 5.748 ( -0.309 8.641 3.748) 9.424 5.913 ( 0.194 0.577 -0.601) 0.856 5.931 ( -0.555 3.251 3.124) 4.543 6.049 ( 0.883 1.520 -2.152) 2.778 6.078 ( 0.484 -0.167 -3.146) 3.187 6.244 ( 0.772 -3.115 -1.781) 3.670 6.328 ( -0.995 -3.055 -5.848) 6.673 6.546 ( -0.314 -3.674 2.824) 4.645 6.635 ( -1.340 0.347 -0.137) 1.391 6.953 ( 0.130 -10.497 2.189) 10.724 7.057 ( -0.804 -11.860 -1.937) 12.044 7.371 ( -3.334 -1.098 0.246) 3.519 7.447 ( 1.854 0.239 0.175) 1.878 7.719 ( 2.250 -0.156 2.343) 3.252 7.739 ( -2.166 -4.421 -0.289) 4.931 7.940 ( 5.251 -0.232 2.967) 6.036 8.042 ( -1.559 -3.313 3.028) 4.751 8.125 ( 1.101 0.578 -4.090) 4.275 8.220 ( 0.542 -0.241 -1.430) 1.548 8.420 ( -1.715 -6.827 0.737) 7.078 8.498 ( 2.590 -8.065 0.655) 8.496 8.536 ( -3.479 -0.270 2.809) 4.479 8.665 ( -0.136 -10.543 -0.324) 10.549 8.941 ( 0.404 7.664 2.202) 7.985 9.045 ( 2.723 -2.239 1.720) 3.923 9.136 ( -2.579 4.734 -2.653) 6.008 9.201 ( 5.172 4.825 -4.105) 8.178 9.876 ( -0.339 1.365 -0.356) 1.451 9.974 ( -0.921 0.877 -3.287) 3.525 10.129 ( -4.048 -3.216 6.866) 8.595 10.260 ( -0.132 -5.098 0.422) 5.117 10.270 ( -0.956 0.025 0.928) 1.332 10.343 ( -2.925 -3.042 -4.641) 6.273 10.426 ( 1.082 0.148 0.545) 1.221 10.595 ( 1.232 -1.800 3.771) 4.357 10.641 ( 4.734 9.558 -3.177) 11.129 10.853 ( 2.006 -1.344 -4.623) 5.216 10.974 ( -0.853 -3.802 1.895) 4.333 11.045 ( -1.989 2.218 -1.450) 3.313 11.080 ( 0.107 4.135 4.174) 5.877 11.338 ( -2.218 -1.878 -0.442) 2.940 11.384 ( 1.146 -3.887 -4.544) 6.089 11.449 ( -0.792 -4.684 -3.052) 5.646 11.663 ( -5.335 7.280 1.873) 9.218 11.988 ( -1.979 4.242 0.310) 4.691 12.093 ( 8.849 2.045 -3.984) 9.918 12.148 ( 2.827 1.390 0.509) 3.191 13.001 ( 0.708 0.590 5.897) 5.969 13.280 ( -0.634 -4.318 -4.269) 6.105 13.421 ( 0.816 -4.089 -2.304) 4.764 13.594 ( -7.757 -3.929 -0.290) 8.700 13.774 ( -3.700 -4.241 1.870) 5.930 13.854 ( 6.890 -6.805 4.924) 10.864 14.069 ( -4.508 -1.475 0.590) 4.779 14.166 ( 9.326 -4.966 -1.575) 10.683 14.533 ( -1.866 1.534 1.507) 2.847 14.638 ( 0.585 -0.502 -2.421) 2.541 14.688 ( 3.201 3.627 3.406) 5.916 14.863 ( 0.469 -2.866 -3.467) 4.523 15.454 ( -0.583 0.069 -0.245) 0.636 15.475 ( -4.714 0.733 -0.575) 4.805 15.593 ( -0.973 2.551 1.545) 3.137 15.772 ( 1.649 0.707 -2.491) 3.071 16.458 ( -2.834 0.480 0.976) 3.035 16.540 ( -0.725 -0.973 -2.359) 2.653 16.652 ( 3.750 -3.171 -0.001) 4.911 16.700 ( 5.481 -3.390 -0.309) 6.452 17.069 ( 0.010 -0.916 1.844) 2.059 17.111 ( -3.011 -3.593 -0.094) 4.689 17.165 ( 2.911 -3.940 0.736) 4.954 17.271 ( 0.814 -4.371 -0.886) 4.534 17.594 ( -5.230 1.037 -1.509) 5.541 17.606 ( -0.615 1.178 1.486) 1.993 17.745 ( -0.019 0.982 0.605) 1.153 17.786 ( 0.556 1.508 -0.430) 1.664 17.889 ( -6.071 3.588 1.196) 7.153 17.939 ( -7.438 3.602 -0.948) 8.319 18.056 ( 4.499 2.247 -0.364) 5.042 18.092 ( 0.103 1.066 1.389) 1.754 18.247 ( -1.156 0.321 -0.177) 1.213 18.358 ( -8.532 -4.068 -1.052) 9.511 18.490 ( 7.779 -5.709 -0.100) 9.649 18.621 ( 9.200 -6.201 -0.222) 11.097 19.135 ( -1.349 7.616 0.333) 7.742 19.217 ( 1.241 6.560 -1.799) 6.915 19.402 ( -0.134 1.873 2.269) 2.945 19.502 ( -1.096 1.088 -1.555) 2.192 19.674 ( -0.953 -4.100 1.023) 4.332 19.706 ( -0.348 -3.798 0.746) 3.886 19.808 ( -2.359 -2.360 -1.224) 3.554 19.845 ( 1.823 -2.219 -1.335) 3.167 20.587 ( -2.395 7.707 4.878) 9.430 20.831 ( -0.187 1.839 -4.169) 4.561 20.929 ( -0.032 -0.183 1.709) 1.719 20.945 ( -3.438 -2.056 -0.753) 4.076 21.073 ( 1.919 -3.436 0.736) 4.003 21.139 ( 2.318 -4.558 -2.793) 5.827 21.513 ( -1.285 -9.106 4.702) 10.329 21.670 ( -0.380 -8.195 -2.266) 8.511 22.661 ( 0.210 -1.603 0.355) 1.656 22.690 ( -0.346 -1.463 -1.760) 2.315 22.832 ( -1.577 -3.577 1.580) 4.217 22.855 ( -1.820 -3.058 -0.144) 3.561 23.186 ( -0.751 1.255 3.164) 3.486 23.303 ( -0.871 1.197 -2.353) 2.780 23.351 ( -0.843 -1.046 -0.435) 1.412 23.397 ( -0.611 -2.583 -1.902) 3.265 23.998 ( 1.045 -0.651 1.641) 2.051 24.096 ( 4.553 -7.366 4.905) 9.952 24.113 ( 0.740 -0.870 -3.734) 3.905 24.254 ( 2.810 -6.365 -2.453) 7.377 25.228 ( 0.510 4.342 2.260) 4.921 25.279 ( -2.206 2.766 -1.841) 3.988 25.351 ( -2.451 4.985 1.531) 5.763 25.492 ( 1.822 2.187 -1.402) 3.173 26.414 ( -1.205 3.576 1.340) 4.004 26.525 ( 0.657 5.755 -1.837) 6.076 26.838 ( 0.698 -5.316 5.671) 7.804 27.026 ( -3.820 -6.846 -5.964) 9.850 27.395 ( 1.590 3.154 2.147) 4.133 27.450 ( -1.639 3.495 -3.243) 5.042 27.575 ( -2.863 -3.271 3.761) 5.748 27.694 ( -1.492 -2.197 -0.586) 2.720 27.888 ( -2.634 0.220 0.498) 2.690 27.979 ( 4.122 2.266 1.631) 4.979 27.995 ( 1.741 -1.635 -4.085) 4.732 28.139 ( 4.200 -2.890 -3.467) 6.165 28.651 ( 1.230 4.676 15.871) 16.592 28.855 ( -6.823 5.383 0.167) 8.693 29.270 ( -3.438 13.500 -0.663) 13.946 29.442 ( -5.388 6.255 -2.982) 8.777 29.588 ( -3.627 13.018 -1.345) 13.581 29.851 ( 7.630 2.304 -4.746) 9.277 29.927 ( 3.283 2.430 -3.426) 5.331 29.973 ( 2.084 -2.203 0.905) 3.165 30.533 ( 4.114 7.418 -2.528) 8.851 30.729 ( 5.258 3.982 -4.157) 7.797 30.831 ( -6.241 2.020 1.519) 6.733 30.971 ( 5.612 6.035 2.415) 8.587 31.232 ( -0.852 -1.168 3.469) 3.759 31.292 ( 1.282 -0.849 1.386) 2.071 31.488 ( 1.740 -4.889 0.804) 5.251 31.551 ( -0.115 -4.703 -2.152) 5.173 32.161 ( -2.241 -1.287 1.963) 3.245 32.314 ( -0.130 -3.603 2.485) 4.379 32.340 ( -2.656 -5.248 -3.280) 6.734 32.512 ( 2.943 -6.110 -2.060) 7.088 36.881 ( -0.380 -0.857 0.131) 0.946 36.890 ( -0.024 -1.149 0.128) 1.156 37.438 ( -1.951 -3.848 3.626) 5.636 37.601 ( -3.059 -8.184 -3.539) 9.427 39.460 ( -0.673 4.202 2.655) 5.016 39.596 ( 1.026 0.466 -1.538) 1.906 40.543 ( -0.396 10.239 0.084) 10.247 40.669 ( 2.111 2.195 -5.859) 6.603 ======================= Grid point 59 (30/55) ======================= q-point: (-0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -6.755 13.921 8.158) 17.492 1.326 ( -4.420 20.553 3.548) 21.320 1.432 ( -1.257 1.318 -5.352) 5.654 1.640 ( 3.566 6.902 2.781) 8.251 1.749 ( 0.465 10.837 -2.584) 11.151 1.757 ( 4.534 3.281 -0.117) 5.598 1.900 ( 0.016 1.570 -1.390) 2.097 2.082 ( -4.905 9.521 -0.156) 10.712 2.114 ( -1.318 5.319 2.098) 5.868 2.170 ( -1.863 8.525 -1.054) 8.790 2.234 ( 2.634 4.646 -0.618) 5.377 2.341 ( 3.647 0.178 -0.800) 3.738 2.470 ( 0.971 1.174 2.526) 2.950 2.512 ( 0.699 4.347 -0.777) 4.471 2.560 ( 1.263 -2.946 -1.239) 3.436 2.617 ( -4.006 3.302 -0.634) 5.230 2.730 ( -1.112 1.932 1.468) 2.669 2.751 ( 1.735 1.502 1.596) 2.795 2.763 ( 4.187 -4.115 -0.054) 5.871 2.817 ( -2.492 -1.942 -0.694) 3.235 2.828 ( 0.813 -0.745 1.580) 1.927 2.891 ( -3.904 5.158 -0.031) 6.469 2.941 ( 1.641 -0.268 1.619) 2.321 3.022 ( -0.897 -0.730 -1.667) 2.030 3.104 ( 1.556 1.742 -0.539) 2.397 3.160 ( -0.755 5.427 -1.376) 5.649 3.232 ( 0.496 -0.332 0.120) 0.609 3.370 ( 0.954 1.313 -0.034) 1.624 3.436 ( -3.863 5.130 -0.720) 6.462 3.467 ( -0.938 -1.611 -3.686) 4.130 3.609 ( -1.343 -0.528 1.370) 1.989 3.695 ( -2.511 -0.316 -6.020) 6.530 3.856 ( 1.379 -0.845 0.085) 1.620 3.931 ( 1.641 -0.940 2.293) 2.972 4.037 ( 3.012 1.334 2.472) 4.118 4.103 ( 0.631 3.427 -0.904) 3.600 4.177 ( -3.038 2.375 3.219) 5.023 4.278 ( -1.513 3.270 -0.373) 3.623 4.306 ( -6.408 2.099 -2.449) 7.174 4.576 ( 0.988 5.527 -10.295) 11.726 4.663 ( 5.099 3.890 -0.801) 6.463 4.813 ( 6.239 1.118 4.324) 7.673 5.011 ( 6.049 3.153 -1.403) 6.964 5.073 ( 1.856 5.008 7.776) 9.433 5.097 ( 3.407 9.891 -0.602) 10.478 5.274 ( -2.148 0.801 2.274) 3.228 5.443 ( -9.301 6.223 1.424) 11.281 5.523 ( 3.370 -0.504 -3.557) 4.926 5.615 ( -0.573 -1.904 4.227) 4.671 5.789 ( -0.455 6.061 7.225) 9.442 5.926 ( 0.523 5.060 1.916) 5.436 5.987 ( 4.656 1.806 2.278) 5.489 6.031 ( 0.684 0.287 -0.480) 0.883 6.069 ( 0.847 0.434 -1.345) 1.648 6.149 ( -6.720 -5.197 -3.225) 9.087 6.388 ( 5.762 -6.605 -3.397) 9.400 6.489 ( -7.122 -3.979 1.268) 8.256 6.633 ( 0.210 -3.165 0.410) 3.198 6.958 ( 0.458 -10.857 -0.367) 10.873 7.048 ( 1.025 -11.383 -0.496) 11.439 7.324 ( -1.081 -0.605 2.168) 2.497 7.511 ( 4.770 1.193 0.290) 4.925 7.660 ( -4.830 -5.193 -0.916) 7.151 7.753 ( -0.857 -1.986 -0.119) 2.166 8.011 ( 0.710 -2.349 4.935) 5.511 8.098 ( 5.742 1.589 -1.379) 6.115 8.150 ( 2.884 -0.114 -2.240) 3.654 8.275 ( 5.019 -0.152 2.172) 5.471 8.428 ( -1.424 0.484 4.534) 4.777 8.494 ( -2.851 -5.077 2.138) 6.203 8.525 ( 2.172 -0.906 -3.267) 4.026 8.658 ( -1.025 -4.960 -0.423) 5.082 8.953 ( 1.276 5.185 0.741) 5.391 9.068 ( -0.431 3.828 0.193) 3.857 9.107 ( 2.042 -2.328 0.163) 3.101 9.301 ( 4.106 0.422 -4.365) 6.007 9.822 ( -4.782 0.762 1.938) 5.216 9.953 ( -0.684 2.036 -1.877) 2.853 10.068 ( -3.469 -0.969 2.916) 4.634 10.177 ( -6.282 -4.547 -2.750) 8.228 10.277 ( 4.863 0.778 -2.213) 5.399 10.365 ( 3.234 2.220 2.670) 4.745 10.472 ( 3.587 -1.777 -0.606) 4.049 10.631 ( -3.321 6.772 -0.786) 7.583 10.701 ( 2.924 -5.909 -0.160) 6.594 10.778 ( -10.623 -1.497 1.788) 10.876 10.867 ( -3.101 -1.200 -2.388) 4.094 11.058 ( 6.948 -0.865 -0.831) 7.051 11.165 ( -0.791 1.019 -1.268) 1.809 11.242 ( -3.867 0.957 -1.707) 4.334 11.274 ( -3.990 -4.169 -1.723) 6.023 11.484 ( 1.561 -5.794 -0.780) 6.051 11.687 ( 3.390 6.346 2.344) 7.567 11.913 ( -1.959 4.335 -0.359) 4.770 12.178 ( 0.463 -4.504 0.648) 4.574 12.267 ( 5.568 -0.789 -2.268) 6.064 13.078 ( 3.297 2.154 5.105) 6.447 13.281 ( 1.740 -3.318 -2.167) 4.328 13.400 ( -7.053 -1.846 -0.388) 7.301 13.442 ( 1.280 -3.309 -5.145) 6.249 13.685 ( -3.488 -1.212 3.250) 4.919 13.979 ( -1.825 -3.579 -2.381) 4.670 14.090 ( 8.145 -0.820 3.090) 8.750 14.335 ( 7.405 -3.694 -0.011) 8.275 14.509 ( -1.751 1.307 2.160) 3.072 14.637 ( 2.072 -1.848 -0.610) 2.843 14.729 ( -0.226 0.667 -1.380) 1.549 14.834 ( -4.070 -5.152 0.800) 6.614 15.376 ( -2.175 1.702 0.799) 2.875 15.455 ( -1.894 -1.017 2.454) 3.263 15.591 ( 1.426 4.339 -2.023) 4.995 15.752 ( -2.282 0.272 -3.565) 4.242 16.410 ( -2.427 1.611 1.975) 3.520 16.529 ( 0.766 0.354 -2.693) 2.823 16.752 ( 5.472 -5.572 0.310) 7.816 16.827 ( 6.060 -4.402 -0.332) 7.497 17.047 ( -1.626 -0.786 1.386) 2.276 17.101 ( 1.448 -0.072 -0.060) 1.451 17.211 ( 0.655 0.082 -1.230) 1.396 17.237 ( -4.786 2.249 0.450) 5.307 17.525 ( 0.783 -3.620 -0.322) 3.718 17.595 ( 0.785 -3.892 1.348) 4.193 17.739 ( -0.213 0.748 0.345) 0.851 17.765 ( -5.955 1.718 1.032) 6.283 17.784 ( -4.455 1.000 -0.645) 4.611 17.819 ( -0.729 1.664 -1.233) 2.196 17.966 ( -9.290 -4.059 -0.288) 10.142 18.010 ( -7.713 -2.825 0.249) 8.218 18.303 ( 3.828 2.829 1.029) 4.870 18.325 ( 3.764 2.264 -0.165) 4.396 18.638 ( 6.123 -2.846 0.367) 6.762 18.785 ( 5.768 -3.643 -0.344) 6.831 19.126 ( 0.365 6.858 1.089) 6.953 19.263 ( 3.686 4.442 -0.734) 5.819 19.393 ( -0.912 1.029 1.357) 1.932 19.460 ( -2.192 1.585 -1.699) 3.194 19.639 ( -2.758 -3.312 -0.334) 4.323 19.682 ( -2.185 -4.091 -0.443) 4.659 19.767 ( -0.713 -0.550 -0.090) 0.905 19.859 ( -0.035 -1.607 -0.895) 1.840 20.557 ( -2.630 7.391 4.889) 9.244 20.797 ( -0.761 1.462 -4.236) 4.545 20.883 ( -1.993 -1.853 -0.630) 2.794 20.917 ( -1.691 -0.069 1.022) 1.977 21.117 ( 1.902 -3.719 1.283) 4.369 21.193 ( 3.471 -5.399 -2.477) 6.880 21.495 ( -2.563 -8.653 4.671) 10.162 21.646 ( -0.620 -7.673 -2.466) 8.083 22.674 ( -0.415 -1.685 -1.501) 2.294 22.677 ( 1.187 -1.872 1.020) 2.440 22.776 ( -3.338 -3.566 -0.291) 4.894 22.809 ( -3.026 -2.205 1.201) 3.933 23.168 ( -1.739 0.198 3.441) 3.861 23.296 ( 0.345 -0.339 -1.475) 1.552 23.334 ( -0.741 -1.041 0.786) 1.500 23.379 ( -0.220 -0.975 -1.289) 1.631 23.993 ( -0.730 -2.587 -0.357) 2.712 24.122 ( 2.242 1.109 -5.471) 6.016 24.243 ( 7.148 -2.972 3.307) 8.418 24.360 ( 5.687 -9.553 1.273) 11.190 25.213 ( -1.681 4.039 0.699) 4.430 25.268 ( 0.412 2.586 1.410) 2.974 25.289 ( -3.481 3.674 0.412) 5.078 25.497 ( -1.050 -1.084 -1.584) 2.188 26.408 ( 0.855 3.898 0.386) 4.010 26.530 ( 0.589 5.991 -1.144) 6.128 26.816 ( -5.038 -1.991 3.818) 6.627 26.927 ( -3.587 -1.352 -3.213) 5.002 27.416 ( 0.970 6.541 -0.745) 6.655 27.450 ( 2.066 3.195 0.363) 3.822 27.526 ( -2.961 -2.327 1.996) 4.262 27.645 ( -3.380 -3.692 -0.869) 5.081 27.859 ( 0.443 4.360 1.384) 4.596 28.050 ( 5.430 2.258 -1.323) 6.028 28.095 ( 4.443 0.820 0.755) 4.581 28.211 ( 3.743 -3.965 -2.892) 6.173 28.636 ( -7.634 6.281 4.006) 10.666 28.685 ( -9.319 0.809 4.599) 10.424 29.213 ( -1.170 13.743 0.746) 13.813 29.382 ( -0.690 4.265 -0.959) 4.425 29.473 ( -5.805 14.098 3.163) 15.571 29.897 ( -4.863 -6.749 7.370) 11.113 29.955 ( 6.559 -0.683 -5.862) 8.823 30.141 ( 13.031 9.666 -18.856) 24.875 30.649 ( 7.263 4.774 -2.787) 9.127 30.726 ( -4.534 0.808 1.934) 4.995 30.796 ( 3.048 6.376 -2.236) 7.412 31.054 ( -0.263 9.109 -1.521) 9.239 31.159 ( -3.219 -3.466 2.258) 5.241 31.434 ( 8.635 -3.450 5.004) 10.559 31.524 ( -0.352 -5.236 -2.240) 5.706 31.591 ( 6.122 -9.172 3.002) 11.429 32.103 ( -4.497 -1.063 1.011) 4.731 32.248 ( -5.473 -3.837 -2.707) 7.212 32.321 ( -0.114 -4.706 2.233) 5.211 32.522 ( -0.640 -5.503 -3.612) 6.614 36.872 ( -0.494 -1.080 0.117) 1.194 36.888 ( -0.360 -1.533 0.137) 1.581 37.387 ( -4.034 -2.417 2.544) 5.346 37.473 ( -7.021 -6.036 -2.842) 9.685 39.460 ( -0.568 4.217 2.151) 4.768 39.595 ( -0.399 -0.026 -1.728) 1.774 40.526 ( 0.780 9.231 -0.932) 9.311 40.727 ( 4.469 6.228 -5.279) 9.307 ======================= Grid point 60 (31/55) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.637 12.405 2.516) 12.673 1.485 ( 0.100 6.580 -2.182) 6.933 1.681 ( 1.777 8.787 2.072) 9.202 1.809 ( 1.588 6.678 4.683) 8.309 1.867 ( 0.493 1.651 1.759) 2.462 1.948 ( 2.754 3.755 1.085) 4.781 1.984 ( -2.002 10.423 -2.573) 10.921 2.066 ( -2.340 -0.760 3.089) 3.949 2.157 ( -1.646 4.145 -2.517) 5.121 2.289 ( 2.366 2.428 -2.697) 4.332 2.350 ( 0.927 -5.410 1.809) 5.779 2.431 ( -1.451 -1.722 -0.024) 2.252 2.448 ( -0.737 4.067 0.417) 4.154 2.525 ( -0.366 2.417 -4.105) 4.777 2.623 ( -0.898 -1.026 0.214) 1.380 2.667 ( -4.235 -0.588 -1.086) 4.411 2.701 ( 2.572 0.913 -0.575) 2.789 2.730 ( 2.017 -3.355 -1.490) 4.188 2.734 ( -0.341 0.889 1.119) 1.470 2.799 ( -1.161 -0.271 -0.140) 1.200 2.851 ( -3.146 0.535 1.325) 3.456 2.877 ( 4.907 -0.546 2.343) 5.465 3.051 ( 1.007 4.485 0.420) 4.616 3.085 ( 0.480 4.160 1.778) 4.549 3.197 ( 1.350 8.209 1.654) 8.482 3.203 ( -2.559 0.808 -0.563) 2.742 3.288 ( 1.516 6.660 -2.902) 7.422 3.358 ( -1.610 0.991 -1.121) 2.197 3.436 ( 0.155 -0.615 -0.187) 0.661 3.459 ( -2.028 4.457 -1.379) 5.088 3.616 ( 0.151 1.307 -3.412) 3.657 3.648 ( 2.329 -1.820 -5.365) 6.125 3.932 ( 1.938 2.109 3.505) 4.527 3.976 ( 0.389 0.139 5.133) 5.150 4.077 ( -2.947 2.214 0.987) 3.816 4.185 ( -3.340 7.395 -1.339) 8.224 4.187 ( -2.600 -0.160 -2.832) 3.848 4.264 ( 1.908 6.033 -0.829) 6.381 4.357 ( 4.011 0.849 -0.920) 4.202 4.536 ( -2.597 -4.435 -8.227) 9.700 4.785 ( 1.111 2.554 0.325) 2.804 4.871 ( -1.007 -0.429 -0.512) 1.209 5.110 ( -0.139 -0.382 2.003) 2.044 5.193 ( -4.696 2.318 1.890) 5.567 5.194 ( 0.912 -1.358 0.160) 1.643 5.253 ( 0.903 -0.191 -0.109) 0.930 5.537 ( 1.236 8.439 2.651) 8.932 5.586 ( -0.743 5.187 -0.165) 5.243 5.618 ( 1.433 0.480 6.781) 6.948 5.833 ( -5.529 -4.255 0.978) 7.045 5.919 ( 2.237 3.567 -1.469) 4.459 6.006 ( -2.208 1.333 -0.407) 2.611 6.030 ( 2.090 -0.081 1.347) 2.488 6.104 ( 6.128 -0.150 -0.362) 6.140 6.181 ( -0.949 0.723 5.300) 5.433 6.322 ( -0.577 -1.350 -0.754) 1.650 6.386 ( 4.518 -2.144 2.135) 5.437 6.517 ( -3.534 -2.496 -3.178) 5.369 6.703 ( 1.413 -14.598 1.375) 14.731 6.768 ( -0.228 -15.014 -1.251) 15.068 7.365 ( 2.206 1.244 5.714) 6.250 7.464 ( -1.474 -4.250 3.318) 5.590 7.639 ( -4.043 -0.270 -4.561) 6.101 7.696 ( 0.910 1.194 -4.416) 4.664 7.971 ( -2.309 0.418 4.022) 4.657 8.122 ( 0.623 -0.519 -1.538) 1.738 8.169 ( 1.863 -4.318 4.071) 6.220 8.305 ( -2.031 -6.081 -0.602) 6.439 8.440 ( 1.930 2.333 1.785) 3.515 8.451 ( -1.137 1.877 2.642) 3.434 8.582 ( 1.193 0.068 -3.269) 3.480 8.612 ( 0.096 -1.271 -2.371) 2.691 9.072 ( -0.377 3.751 1.938) 4.239 9.109 ( -0.129 2.736 2.558) 3.748 9.189 ( 6.738 -1.297 -2.413) 7.273 9.226 ( -6.006 -0.932 -1.299) 6.215 9.802 ( -0.391 3.660 2.506) 4.453 9.932 ( -0.966 -0.128 -3.352) 3.491 10.073 ( -1.496 1.258 -0.359) 1.987 10.097 ( 3.217 -1.732 0.785) 3.737 10.380 ( -3.105 0.691 0.857) 3.294 10.419 ( 3.444 -0.616 -2.551) 4.330 10.497 ( -2.139 -1.896 1.143) 3.078 10.587 ( -0.024 0.495 -2.611) 2.657 10.655 ( -0.153 -1.995 6.901) 7.185 10.682 ( 1.207 2.950 -1.914) 3.718 10.811 ( 0.572 1.266 -5.164) 5.347 10.973 ( 1.764 -4.304 -6.278) 7.814 11.165 ( -3.529 0.805 -0.631) 3.674 11.241 ( 0.787 -0.873 -3.725) 3.906 11.311 ( 3.601 4.161 4.189) 6.916 11.389 ( -0.567 0.340 1.002) 1.201 11.831 ( -1.170 2.445 3.965) 4.803 11.965 ( -1.613 1.344 -1.519) 2.592 12.038 ( 0.709 -5.240 3.154) 6.157 12.196 ( 0.193 -6.406 -2.983) 7.070 13.125 ( -1.553 0.450 3.930) 4.250 13.191 ( -1.239 -4.138 2.339) 4.912 13.311 ( -1.288 0.858 -3.054) 3.424 13.433 ( 5.272 -4.127 -6.558) 9.372 13.807 ( 2.608 7.073 0.848) 7.586 13.923 ( -4.916 4.724 -4.429) 8.130 14.203 ( 2.863 -5.157 4.856) 7.640 14.348 ( 3.727 -8.701 -2.478) 9.784 14.500 ( -3.390 1.614 3.028) 4.823 14.596 ( -7.046 -3.032 3.182) 8.305 14.623 ( 0.326 0.993 -0.536) 1.175 14.727 ( 3.533 -2.081 -1.356) 4.319 15.403 ( 1.215 0.452 3.563) 3.791 15.425 ( 1.432 -0.884 4.510) 4.814 15.648 ( -0.382 1.577 -5.602) 5.832 15.684 ( -0.963 -0.771 -5.232) 5.376 16.470 ( -0.276 5.372 1.477) 5.578 16.559 ( 0.943 2.270 -1.859) 3.082 16.712 ( 1.039 -5.552 0.991) 5.735 16.756 ( -0.845 -7.563 -0.834) 7.655 17.120 ( 0.014 4.813 1.361) 5.001 17.193 ( -5.086 3.407 -0.814) 6.175 17.209 ( -1.380 1.603 0.107) 2.118 17.236 ( 5.641 4.202 -1.464) 7.185 17.486 ( 0.628 -4.640 1.781) 5.010 17.543 ( -5.481 -5.806 1.444) 8.114 17.569 ( 3.955 -4.959 -0.920) 6.409 17.634 ( 0.911 -6.452 -1.443) 6.674 17.789 ( -1.389 3.144 0.268) 3.448 17.812 ( 0.930 2.053 -0.378) 2.285 17.866 ( 1.537 -0.350 0.752) 1.747 17.886 ( -1.185 -0.284 -0.123) 1.225 18.427 ( -0.167 4.976 1.502) 5.201 18.468 ( 0.236 5.571 -0.215) 5.581 18.648 ( 1.139 -5.272 2.039) 5.766 18.732 ( -0.620 -6.391 -1.331) 6.557 19.282 ( 0.090 6.454 1.833) 6.709 19.377 ( 1.499 2.329 -0.395) 2.798 19.387 ( -2.882 1.965 0.151) 3.491 19.455 ( 1.038 -0.084 -1.167) 1.564 19.578 ( -0.846 -0.718 0.080) 1.113 19.596 ( 1.707 -0.896 -0.222) 1.940 19.772 ( -0.316 0.503 0.091) 0.601 19.824 ( -0.400 -0.923 -1.570) 1.864 20.669 ( -0.357 5.219 2.200) 5.675 20.767 ( 0.000 -1.133 -2.167) 2.445 20.835 ( 0.463 -1.243 0.992) 1.656 20.876 ( -0.519 -2.097 0.406) 2.198 21.075 ( -0.482 -2.164 0.467) 2.266 21.152 ( 2.497 -3.937 -3.080) 5.588 21.341 ( -2.010 -2.846 4.470) 5.667 21.489 ( 0.571 -7.121 -1.914) 7.396 22.633 ( -0.414 -0.985 -0.251) 1.097 22.660 ( 0.189 -2.259 -0.865) 2.426 22.701 ( 1.303 -1.380 1.183) 2.236 22.725 ( -1.076 -1.817 0.297) 2.132 23.171 ( -0.967 1.816 1.805) 2.737 23.273 ( 0.630 -1.286 -1.869) 2.355 23.290 ( 0.151 -2.751 0.269) 2.768 23.328 ( 0.066 -3.194 -1.107) 3.381 24.003 ( 0.131 2.522 1.534) 2.954 24.132 ( -0.987 0.935 -3.757) 3.995 24.227 ( 0.398 -6.376 1.787) 6.634 24.290 ( 0.870 -5.147 0.020) 5.220 25.272 ( -0.666 3.377 1.305) 3.681 25.293 ( -0.595 1.950 1.753) 2.689 25.349 ( 1.102 3.080 -0.160) 3.275 25.431 ( -0.572 -1.034 -2.081) 2.393 26.514 ( 0.492 3.694 1.719) 4.104 26.620 ( -1.405 3.577 -2.503) 4.586 26.733 ( -0.403 -1.619 3.624) 3.990 26.874 ( 1.769 -4.015 -2.086) 4.857 27.464 ( -1.559 0.659 1.283) 2.124 27.527 ( -0.846 0.523 2.149) 2.368 27.568 ( 3.149 5.117 -2.696) 6.586 27.654 ( -0.532 5.853 -1.192) 5.997 28.037 ( 3.236 2.593 0.482) 4.175 28.076 ( -1.199 3.340 0.682) 3.614 28.159 ( -3.233 -1.719 -0.217) 3.668 28.230 ( 1.705 -1.061 -0.859) 2.184 28.588 ( -6.598 2.709 4.772) 8.581 28.623 ( 3.902 0.718 2.564) 4.724 29.385 ( 2.387 3.853 -2.066) 4.981 29.418 ( 0.392 2.106 -3.018) 3.701 29.644 ( -3.549 7.040 11.358) 13.826 29.732 ( -5.904 -1.247 7.622) 9.722 30.142 ( 6.248 8.019 -8.738) 13.405 30.367 ( 9.618 -0.218 -17.981) 20.393 30.698 ( -3.190 2.701 2.381) 4.810 30.791 ( -1.874 2.627 -1.082) 3.403 30.937 ( -0.081 2.825 4.589) 5.390 31.035 ( -1.336 0.627 3.699) 3.982 31.181 ( -1.085 4.064 -5.213) 6.698 31.309 ( -3.052 -7.490 -5.163) 9.596 31.468 ( -2.064 -5.084 2.301) 5.950 31.483 ( 4.528 -7.497 2.173) 9.024 32.053 ( 0.677 2.117 2.708) 3.503 32.179 ( 0.060 -1.207 -0.763) 1.429 32.258 ( -0.488 -0.321 0.458) 0.742 32.403 ( -0.523 -4.460 -3.865) 5.925 36.847 ( -0.030 -0.880 0.189) 0.901 36.851 ( -0.256 -0.993 0.144) 1.036 37.310 ( -0.883 -0.679 0.861) 1.408 37.351 ( 1.271 -2.347 -0.687) 2.756 39.533 ( -0.361 3.205 1.172) 3.431 39.585 ( -0.189 0.259 -0.632) 0.709 40.711 ( 0.443 6.667 0.903) 6.742 40.829 ( 0.758 0.967 -3.701) 3.900 ======================= Grid point 61 (32/55) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.561 12.381 -1.405) 12.473 1.475 ( -1.257 2.801 -2.651) 4.056 1.692 ( -1.252 7.396 3.186) 8.150 1.841 ( -2.482 3.117 0.278) 3.994 1.889 ( -0.791 11.404 2.180) 11.637 1.919 ( 1.819 5.983 -2.687) 6.806 2.007 ( -0.260 6.090 5.146) 7.978 2.102 ( 1.896 -1.465 -2.771) 3.664 2.110 ( 1.057 3.826 2.588) 4.738 2.301 ( -1.625 3.661 -2.304) 4.621 2.343 ( -1.504 -0.605 1.438) 2.167 2.370 ( -3.150 -1.553 -1.558) 3.842 2.406 ( -1.089 3.306 0.324) 3.496 2.519 ( -2.262 0.198 -0.771) 2.398 2.583 ( -2.224 -0.401 0.820) 2.404 2.601 ( -2.082 -3.368 -0.100) 3.960 2.687 ( -1.463 -1.269 -1.629) 2.531 2.721 ( -1.833 -3.508 -0.951) 4.071 2.748 ( -0.553 -0.743 2.540) 2.703 2.819 ( 2.792 4.017 -0.158) 4.894 2.830 ( 0.629 -1.622 0.555) 1.826 2.966 ( 2.299 -2.279 1.099) 3.419 3.067 ( -2.190 1.300 1.043) 2.752 3.082 ( 1.837 6.022 0.141) 6.298 3.185 ( 0.199 3.440 1.963) 3.965 3.239 ( -2.730 6.352 -2.005) 7.199 3.278 ( 2.811 5.754 2.014) 6.713 3.322 ( 0.649 1.345 -0.374) 1.540 3.406 ( -1.709 -0.431 -0.456) 1.820 3.493 ( 3.428 3.284 -3.799) 6.080 3.605 ( 0.037 2.098 -3.108) 3.750 3.679 ( 2.512 -3.120 -4.348) 5.911 3.926 ( -2.875 0.724 2.192) 3.687 3.989 ( -1.872 -0.247 4.491) 4.872 4.016 ( -3.410 2.812 -1.144) 4.565 4.136 ( 2.081 3.558 1.129) 4.274 4.146 ( -1.347 1.422 -2.025) 2.818 4.347 ( 3.538 5.587 2.447) 7.051 4.409 ( -3.324 -4.214 -6.761) 8.633 4.435 ( 3.841 2.552 -3.454) 5.761 4.790 ( -2.035 0.739 -0.566) 2.237 4.829 ( 0.600 1.740 0.997) 2.093 5.082 ( -8.091 3.179 3.443) 9.350 5.129 ( -2.706 -0.284 4.462) 5.226 5.168 ( 0.727 -1.568 0.529) 1.808 5.195 ( -3.706 -2.877 -1.877) 5.053 5.533 ( -4.467 2.763 3.212) 6.156 5.605 ( 1.300 5.804 -0.596) 5.977 5.733 ( 6.334 2.958 5.142) 8.678 5.771 ( 0.526 -0.306 0.425) 0.743 5.956 ( 2.022 3.630 -1.082) 4.294 6.014 ( 1.605 1.652 -0.829) 2.448 6.069 ( -2.130 2.355 2.036) 3.772 6.168 ( 2.054 0.565 -1.088) 2.392 6.202 ( 3.165 2.321 1.072) 4.069 6.331 ( 0.593 -0.856 -1.881) 2.150 6.505 ( 3.432 -4.999 0.628) 6.096 6.528 ( 6.102 0.702 0.013) 6.142 6.711 ( -0.149 -14.190 0.332) 14.195 6.792 ( 2.027 -11.494 -1.192) 11.733 7.400 ( -2.013 0.932 4.851) 5.335 7.474 ( -0.370 0.734 1.088) 1.364 7.520 ( -1.025 -3.607 -1.528) 4.049 7.671 ( -1.530 -4.924 -2.610) 5.779 7.958 ( -0.556 2.973 2.928) 4.210 8.117 ( -4.032 -2.264 2.614) 5.312 8.181 ( 1.380 -1.821 0.242) 2.298 8.297 ( -1.337 -1.514 -1.034) 2.269 8.371 ( -6.013 1.337 1.054) 6.249 8.473 ( -0.912 -3.005 1.934) 3.688 8.519 ( -5.501 -3.165 -1.205) 6.460 8.548 ( -4.257 -3.672 -2.527) 6.164 9.066 ( 0.186 6.107 0.938) 6.181 9.108 ( 0.123 3.001 2.657) 4.011 9.141 ( -1.403 1.377 0.102) 1.969 9.282 ( 1.852 -1.838 -4.146) 4.898 9.821 ( 1.712 3.332 1.710) 4.117 9.922 ( 0.883 -0.158 -0.655) 1.111 10.052 ( -0.372 0.032 -0.393) 0.542 10.144 ( 0.858 -4.479 0.596) 4.599 10.331 ( -1.883 0.525 -1.093) 2.240 10.395 ( -2.555 1.942 0.071) 3.210 10.466 ( 2.749 -2.660 0.225) 3.832 10.557 ( -5.484 -2.696 2.632) 6.654 10.693 ( 6.480 3.523 -6.198) 9.634 10.783 ( 1.863 1.473 -3.379) 4.130 10.848 ( 4.850 -2.857 2.326) 6.090 10.997 ( -1.608 -6.036 -4.436) 7.661 11.130 ( 5.411 7.259 1.139) 9.125 11.307 ( 4.698 -0.869 -0.815) 4.846 11.349 ( -1.928 2.800 -0.931) 3.525 11.404 ( 1.304 1.513 1.699) 2.622 11.824 ( 1.082 1.931 3.962) 4.538 11.908 ( -1.194 2.035 -2.277) 3.279 12.098 ( 1.243 -3.435 1.579) 3.980 12.196 ( 0.462 -5.561 -2.020) 5.934 13.090 ( -3.845 2.829 2.711) 5.490 13.203 ( 1.638 -4.699 0.966) 5.069 13.330 ( 3.735 0.351 -1.938) 4.223 13.510 ( 3.387 -4.422 -4.141) 6.941 13.756 ( -7.850 5.814 -0.647) 9.790 13.793 ( -0.671 1.596 0.099) 1.734 14.125 ( -10.532 -7.923 2.979) 13.512 14.221 ( -12.138 -7.416 -0.377) 14.229 14.520 ( 3.152 1.733 1.297) 3.823 14.575 ( 3.550 0.154 -1.464) 3.843 14.700 ( 3.921 0.244 0.714) 3.993 14.780 ( 1.104 -2.563 0.451) 2.827 15.460 ( 1.768 1.976 2.707) 3.789 15.513 ( 3.743 -0.900 4.539) 5.951 15.614 ( 0.134 2.570 -4.443) 5.134 15.686 ( 3.438 -1.577 -5.002) 6.271 16.469 ( -0.120 3.534 0.901) 3.649 16.557 ( -0.123 2.148 -1.692) 2.737 16.674 ( -5.024 -6.132 -0.651) 7.954 16.703 ( -3.210 -5.097 0.417) 6.038 17.048 ( -3.934 2.527 1.269) 4.845 17.092 ( -4.051 1.548 -0.384) 4.354 17.185 ( -3.293 -1.665 0.115) 3.691 17.261 ( -3.719 -2.615 -0.301) 4.556 17.513 ( 5.318 2.267 -0.636) 5.816 17.539 ( 5.537 0.313 1.168) 5.667 17.706 ( 5.255 -3.928 -0.021) 6.560 17.736 ( 7.093 -4.598 -0.477) 8.467 17.831 ( 3.702 2.720 0.054) 4.595 17.870 ( 5.281 2.448 -0.242) 5.826 17.900 ( 5.086 -0.319 -0.381) 5.110 17.979 ( 8.432 -2.877 0.597) 8.929 18.371 ( -5.830 5.421 1.290) 8.065 18.409 ( -5.763 4.344 -0.225) 7.220 18.596 ( -6.905 -5.640 1.051) 8.978 18.659 ( -6.277 -6.091 -0.714) 8.776 19.290 ( -0.225 5.497 1.708) 5.761 19.357 ( 0.436 5.717 -0.283) 5.740 19.396 ( 0.445 0.789 -0.198) 0.927 19.488 ( 2.210 0.325 -0.762) 2.360 19.586 ( 1.726 -1.134 0.202) 2.075 19.633 ( 1.118 -1.702 0.105) 2.039 19.757 ( -0.342 0.515 -0.821) 1.028 19.814 ( -0.218 -1.875 -0.898) 2.091 20.689 ( 1.084 4.958 2.296) 5.570 20.778 ( 1.932 -0.852 -1.687) 2.703 20.859 ( 1.257 -1.475 0.744) 2.076 20.888 ( 1.676 -1.967 0.359) 2.609 21.051 ( -2.097 -1.772 -0.098) 2.747 21.170 ( 0.765 -3.176 -3.986) 5.154 21.331 ( -1.119 -3.083 5.236) 6.179 21.498 ( 1.077 -7.617 -1.758) 7.891 22.632 ( 0.275 -0.828 0.055) 0.875 22.675 ( 1.510 -2.125 -0.824) 2.733 22.713 ( 0.564 -1.267 0.352) 1.431 22.762 ( 2.891 -3.229 0.862) 4.419 23.169 ( 0.108 2.113 1.350) 2.509 23.284 ( 1.068 -1.981 -0.643) 2.340 23.311 ( 2.079 -2.580 -0.477) 3.348 23.334 ( 1.012 -2.938 -1.112) 3.300 23.987 ( -2.358 2.119 1.847) 3.669 24.051 ( -4.883 1.718 -2.564) 5.777 24.196 ( -3.751 -5.063 1.216) 6.418 24.255 ( -3.864 -6.251 -0.996) 7.416 25.271 ( 0.630 4.607 0.374) 4.664 25.336 ( 3.609 2.258 1.719) 4.591 25.385 ( 1.423 2.108 -0.052) 2.544 25.446 ( 2.844 -0.436 -1.278) 3.149 26.514 ( -1.158 3.425 2.042) 4.152 26.586 ( -0.517 2.970 -1.635) 3.430 26.734 ( -0.923 -0.423 1.637) 1.927 26.913 ( 2.315 -6.670 -1.576) 7.234 27.424 ( -2.303 1.964 0.954) 3.173 27.515 ( -0.923 0.505 2.028) 2.284 27.625 ( 3.159 1.819 -1.792) 4.062 27.636 ( -1.653 3.772 -0.898) 4.215 27.996 ( -3.468 -0.963 -2.057) 4.145 28.025 ( -5.968 0.781 -0.581) 6.047 28.108 ( -1.381 3.246 2.493) 4.319 28.198 ( -3.038 -0.406 -0.031) 3.065 28.554 ( 1.239 8.111 4.392) 9.307 28.810 ( 9.702 -1.896 4.199) 10.741 29.445 ( 3.240 3.366 -3.806) 6.026 29.472 ( 7.690 2.440 -3.246) 8.697 29.647 ( -1.191 4.532 8.127) 9.381 29.668 ( -2.901 1.981 6.804) 7.658 30.166 ( -1.423 7.195 -4.957) 8.853 30.395 ( -0.694 -0.288 -17.380) 17.396 30.643 ( -4.409 2.044 0.235) 4.865 30.689 ( -3.335 0.123 0.865) 3.448 30.949 ( 0.134 5.375 1.031) 5.474 31.015 ( -0.546 7.163 3.794) 8.124 31.183 ( -0.772 -1.694 -0.040) 1.862 31.227 ( -1.793 -5.751 -2.119) 6.387 31.443 ( 0.229 -1.536 0.256) 1.574 31.533 ( -0.475 -6.494 0.948) 6.580 32.120 ( 3.291 0.681 1.745) 3.786 32.186 ( 1.504 -0.188 -0.738) 1.686 32.274 ( 1.381 -2.547 1.802) 3.412 32.374 ( -0.527 -4.538 -3.841) 5.968 36.852 ( 0.510 -0.820 0.210) 0.988 36.859 ( 0.758 -0.830 0.193) 1.140 37.323 ( 1.702 -0.361 0.614) 1.845 37.412 ( 4.365 -4.446 -0.835) 6.286 39.532 ( -0.335 3.203 1.439) 3.527 39.584 ( 0.323 0.337 -0.679) 0.824 40.702 ( -1.157 6.557 -0.102) 6.659 40.803 ( -1.675 0.965 -2.720) 3.337 ======================= Grid point 62 (33/55) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 3.825 5.461 -4.617) 8.110 1.456 ( 2.113 2.807 -3.588) 5.022 1.649 ( -4.345 8.256 1.692) 9.482 1.768 ( -5.340 4.782 2.009) 7.445 1.836 ( -0.383 12.205 -1.005) 12.252 1.945 ( -0.252 4.079 -2.826) 4.968 2.031 ( 0.733 2.549 3.608) 4.478 2.126 ( 4.045 6.492 -2.358) 8.005 2.148 ( -2.524 2.726 0.813) 3.803 2.211 ( -5.564 1.002 -1.709) 5.906 2.303 ( 0.558 0.641 0.698) 1.100 2.374 ( -0.771 -3.519 1.129) 3.775 2.416 ( 2.538 2.706 0.338) 3.725 2.444 ( -3.606 3.087 2.081) 5.183 2.538 ( -1.402 -2.212 1.091) 2.837 2.590 ( 0.623 -0.553 1.394) 1.625 2.666 ( 0.652 -4.705 0.194) 4.754 2.696 ( -1.330 -3.524 0.240) 3.774 2.752 ( -0.217 1.560 2.120) 2.641 2.842 ( 0.430 -2.508 0.189) 2.552 2.859 ( 0.794 0.218 -1.479) 1.692 2.943 ( -3.665 -3.967 -1.823) 5.700 3.049 ( -0.536 2.771 1.988) 3.452 3.123 ( -0.178 6.357 0.249) 6.364 3.140 ( -0.948 6.592 2.254) 7.031 3.221 ( -0.484 1.801 -1.636) 2.481 3.308 ( 0.770 -2.203 0.877) 2.493 3.347 ( -1.137 -1.909 2.850) 3.613 3.457 ( 6.444 5.260 0.159) 8.320 3.519 ( 1.725 3.249 -4.321) 5.675 3.595 ( -0.367 4.131 -0.044) 4.147 3.708 ( 2.336 -4.152 -1.806) 5.095 3.865 ( -2.580 -1.055 -2.937) 4.049 3.943 ( -3.390 -0.338 -1.768) 3.838 3.971 ( -0.482 3.047 1.608) 3.479 4.127 ( 0.270 0.678 -3.577) 3.650 4.207 ( 1.088 2.671 4.365) 5.232 4.367 ( 4.286 2.621 1.394) 5.214 4.393 ( 0.566 -0.499 -0.299) 0.811 4.544 ( 6.328 0.363 -2.371) 6.768 4.746 ( -2.990 3.599 1.165) 4.822 4.851 ( -0.531 4.680 0.965) 4.808 4.984 ( -1.104 3.127 0.824) 3.417 5.033 ( -5.467 -3.523 0.379) 6.515 5.168 ( -2.593 0.288 4.292) 5.023 5.218 ( 3.536 -2.759 0.918) 4.578 5.458 ( -3.875 2.963 5.213) 7.139 5.586 ( -0.756 0.058 -2.999) 3.094 5.789 ( -0.852 0.580 3.888) 4.022 5.876 ( 4.163 6.236 -0.667) 7.528 5.964 ( -2.052 5.788 1.973) 6.450 6.007 ( 0.812 2.540 -2.727) 3.814 6.037 ( -0.102 4.912 -0.145) 4.916 6.205 ( 0.757 -1.484 -2.042) 2.635 6.249 ( 0.821 6.272 -1.589) 6.522 6.340 ( 1.884 0.319 -4.197) 4.611 6.499 ( -3.489 -1.913 3.317) 5.180 6.624 ( 3.816 -0.271 -1.797) 4.226 6.731 ( 0.405 -10.836 1.415) 10.936 6.820 ( 1.310 -10.809 -1.655) 11.013 7.394 ( -0.182 1.531 1.801) 2.370 7.442 ( 0.601 1.499 -0.814) 1.809 7.589 ( 3.016 -6.259 2.492) 7.381 7.649 ( -0.202 -6.845 0.861) 6.902 7.939 ( -3.071 4.187 2.110) 5.605 8.048 ( -2.582 0.252 5.455) 6.040 8.200 ( -4.281 2.873 -3.853) 6.436 8.231 ( 0.744 -1.469 0.561) 1.740 8.249 ( -2.788 -4.104 -1.294) 5.128 8.422 ( -3.416 -7.134 -0.615) 7.934 8.434 ( -3.777 -7.120 -1.070) 8.131 8.480 ( -0.524 -6.983 0.282) 7.008 9.084 ( -0.875 7.465 1.373) 7.641 9.108 ( 0.150 5.623 3.043) 6.395 9.201 ( 4.698 1.507 -1.284) 5.098 9.249 ( -1.146 0.752 -2.902) 3.209 9.872 ( 1.557 0.653 0.376) 1.730 9.936 ( 0.708 -1.456 -0.574) 1.718 10.055 ( 0.052 -2.239 2.697) 3.505 10.150 ( -0.051 -3.827 1.139) 3.993 10.302 ( -0.301 0.115 -0.944) 0.998 10.372 ( -1.440 2.286 -3.765) 4.635 10.479 ( -2.370 -3.702 2.806) 5.215 10.558 ( 2.723 -1.973 0.986) 3.505 10.707 ( 1.413 5.281 -6.268) 8.317 10.795 ( 2.555 0.228 -2.412) 3.521 10.930 ( 1.876 1.163 2.051) 3.013 11.026 ( 5.696 -3.013 -1.690) 6.662 11.204 ( -2.021 5.503 1.993) 6.192 11.283 ( -2.331 0.752 0.397) 2.481 11.362 ( 0.063 -1.522 -0.558) 1.623 11.406 ( 0.019 -2.330 -1.414) 2.726 11.896 ( 1.908 4.633 0.117) 5.011 11.973 ( 7.035 0.802 1.677) 7.277 12.039 ( -3.820 2.352 -3.553) 5.722 12.187 ( -1.770 -3.286 -0.334) 3.747 13.041 ( -1.206 5.522 3.078) 6.436 13.235 ( 0.566 -3.943 -1.200) 4.161 13.396 ( 3.323 -2.871 -2.094) 4.866 13.465 ( -2.327 -2.297 -3.866) 5.063 13.687 ( -2.875 -0.731 7.646) 8.202 13.836 ( -1.983 -4.620 1.386) 5.215 13.949 ( -1.267 -3.883 0.641) 4.135 14.054 ( -3.381 -6.791 -2.580) 8.013 14.579 ( 1.710 2.480 0.387) 3.037 14.617 ( 1.811 0.994 -1.722) 2.689 14.716 ( -1.651 0.769 1.294) 2.234 14.796 ( 0.223 -4.226 0.243) 4.239 15.477 ( 0.283 2.574 -1.314) 2.903 15.548 ( -1.070 -0.758 -0.884) 1.581 15.637 ( 1.477 3.182 1.868) 3.974 15.738 ( 2.837 -1.183 -2.012) 3.674 16.477 ( 0.540 0.752 -0.079) 0.929 16.544 ( -1.052 0.166 -2.517) 2.733 16.586 ( -1.304 -2.411 0.336) 2.761 16.638 ( -3.016 -2.891 0.273) 4.187 17.022 ( 0.660 -1.739 1.292) 2.265 17.050 ( -0.217 -0.528 0.666) 0.877 17.112 ( -3.989 -3.324 1.150) 5.318 17.182 ( -2.242 -3.687 -1.447) 4.552 17.628 ( 4.582 3.897 -0.020) 6.015 17.668 ( 5.133 3.065 0.064) 5.979 17.750 ( -0.128 -0.597 0.377) 0.717 17.807 ( 0.540 -0.284 -0.794) 1.001 17.936 ( 6.090 2.457 0.663) 6.600 18.009 ( 7.267 3.658 0.227) 8.139 18.042 ( 7.307 -2.393 -0.003) 7.689 18.149 ( 2.394 -0.816 0.076) 2.531 18.255 ( -2.939 3.029 0.217) 4.226 18.289 ( -2.155 0.559 0.147) 2.231 18.440 ( -7.397 -5.423 0.417) 9.181 18.479 ( -10.940 -6.092 -0.945) 12.557 19.289 ( -0.476 5.891 0.866) 5.974 19.359 ( -0.464 6.238 -2.723) 6.823 19.416 ( 1.437 1.318 2.440) 3.123 19.521 ( 1.142 0.418 -0.685) 1.396 19.626 ( 1.576 -2.528 0.380) 3.003 19.630 ( -1.113 -1.844 0.629) 2.244 19.770 ( 1.658 -0.781 -0.875) 2.031 19.801 ( -0.610 -2.041 -0.885) 2.307 20.720 ( 0.478 5.015 2.564) 5.652 20.820 ( 2.453 -1.280 -0.733) 2.862 20.880 ( 0.635 -1.951 -0.232) 2.065 20.930 ( 1.125 -2.977 0.431) 3.211 21.001 ( -1.815 -0.048 0.010) 1.816 21.145 ( -0.852 -1.068 -4.857) 5.046 21.345 ( -0.277 -4.439 5.319) 6.933 21.507 ( 0.630 -8.250 -1.827) 8.473 22.639 ( 0.284 -0.197 0.161) 0.381 22.692 ( 0.429 0.000 -0.993) 1.082 22.742 ( 1.436 -3.056 1.353) 3.638 22.803 ( 0.620 -3.746 0.118) 3.799 23.193 ( 1.435 2.152 1.578) 3.030 23.301 ( 0.324 -2.543 0.487) 2.610 23.340 ( 1.035 -1.796 -1.912) 2.820 23.358 ( 1.223 -2.057 -1.568) 2.861 23.936 ( -1.733 0.251 0.889) 1.964 23.981 ( -1.768 -0.238 1.438) 2.291 24.122 ( -3.219 -2.952 -0.032) 4.368 24.164 ( -3.187 -5.329 -2.383) 6.651 25.297 ( 1.491 5.216 0.206) 5.429 25.384 ( -0.744 2.110 -1.649) 2.780 25.424 ( 3.035 3.380 2.260) 5.074 25.498 ( 1.882 0.132 -0.134) 1.891 26.499 ( -1.356 3.353 2.294) 4.283 26.594 ( 2.123 2.119 -1.904) 3.553 26.714 ( -1.736 -1.691 2.540) 3.511 26.924 ( -0.188 -8.391 -3.127) 8.957 27.404 ( -0.194 2.041 1.696) 2.660 27.520 ( 0.057 -1.261 2.787) 3.060 27.574 ( -3.438 1.744 -1.556) 4.158 27.655 ( 0.830 -1.859 -1.714) 2.661 27.929 ( -1.828 0.019 -0.507) 1.897 27.959 ( 0.023 1.635 -1.881) 2.492 28.069 ( -2.770 3.045 1.002) 4.236 28.148 ( -1.722 1.627 -0.629) 2.451 28.645 ( 3.435 8.528 9.702) 13.366 28.954 ( 1.878 -3.076 3.024) 4.705 29.473 ( 1.188 5.642 -1.906) 6.073 29.577 ( 0.529 -0.715 -1.552) 1.788 29.715 ( 7.940 5.244 0.899) 9.558 29.737 ( 8.394 5.459 1.329) 10.100 30.034 ( -9.441 3.649 -0.567) 10.138 30.155 ( -14.218 0.237 -5.734) 15.333 30.622 ( 3.092 5.151 -4.346) 7.414 30.702 ( 4.134 1.533 -6.508) 7.861 30.969 ( 1.131 3.630 0.588) 3.847 31.014 ( -4.181 4.290 5.142) 7.894 31.134 ( 0.971 -0.734 1.196) 1.706 31.243 ( 0.515 -4.606 1.928) 5.020 31.461 ( 0.716 -1.670 -1.447) 2.322 31.499 ( -2.140 -2.384 -0.200) 3.209 32.151 ( 0.216 0.267 -0.347) 0.488 32.230 ( 1.302 -2.920 1.193) 3.412 32.305 ( 0.231 -2.222 0.266) 2.250 32.364 ( 1.803 -4.169 -0.951) 4.641 36.864 ( 0.400 -0.566 0.316) 0.762 36.873 ( 0.449 -0.636 0.182) 0.799 37.364 ( 1.497 -1.190 1.214) 2.265 37.476 ( 1.984 -6.351 -1.837) 6.902 39.534 ( -0.319 3.155 1.695) 3.596 39.590 ( 0.571 0.066 -0.565) 0.806 40.691 ( 0.903 5.995 -1.232) 6.187 40.745 ( -2.776 1.946 -1.665) 3.777 ======================= Grid point 63 (34/55) ======================= q-point: (-0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -0.439 5.823 -5.240) 7.846 1.493 ( 3.871 2.095 -6.250) 7.645 1.619 ( 0.867 8.418 4.881) 9.769 1.703 ( -1.997 6.570 0.785) 6.912 1.809 ( -1.548 9.462 0.454) 9.599 1.941 ( -1.470 2.293 0.241) 2.734 2.049 ( -3.192 4.616 -0.776) 5.665 2.096 ( 2.906 1.278 1.927) 3.714 2.125 ( 1.815 4.920 -2.047) 5.629 2.223 ( 4.512 3.450 -2.381) 6.159 2.310 ( -2.202 -0.601 0.789) 2.415 2.369 ( -1.694 2.152 2.926) 4.008 2.411 ( 2.405 -0.327 0.203) 2.436 2.492 ( 4.196 2.214 1.238) 4.903 2.550 ( 1.432 -1.261 0.888) 2.104 2.629 ( 1.204 -1.243 0.115) 1.734 2.690 ( 0.950 -3.830 0.933) 4.055 2.699 ( 1.690 -3.805 1.136) 4.315 2.759 ( -0.050 1.564 2.086) 2.608 2.812 ( -2.918 -0.348 -3.315) 4.430 2.851 ( -0.359 -1.801 1.121) 2.151 2.886 ( -0.591 -3.039 -1.108) 3.288 3.056 ( -0.861 3.132 2.766) 4.266 3.096 ( 0.580 6.230 -0.031) 6.257 3.138 ( -1.676 4.572 0.170) 4.873 3.240 ( 2.658 1.785 -0.591) 3.256 3.296 ( -2.877 -0.259 0.905) 3.027 3.355 ( 0.547 -0.824 2.942) 3.104 3.465 ( -1.543 1.346 -4.381) 4.836 3.599 ( 2.687 6.553 -3.592) 7.942 3.604 ( 1.794 3.978 4.878) 6.545 3.755 ( 0.327 -3.105 -0.799) 3.223 3.803 ( 0.457 -1.930 -2.711) 3.358 3.859 ( -3.186 -3.017 -2.758) 5.183 4.004 ( 2.624 3.118 1.192) 4.246 4.118 ( 1.290 0.238 -3.890) 4.105 4.250 ( 1.539 4.984 4.577) 6.940 4.360 ( -1.780 2.610 -1.866) 3.669 4.534 ( 6.783 -3.159 3.732) 8.362 4.593 ( -6.118 0.392 -4.285) 7.480 4.710 ( 5.829 6.672 3.093) 9.384 4.810 ( -3.839 7.045 -3.656) 8.817 4.949 ( -2.599 -3.520 2.921) 5.261 5.008 ( 0.471 -1.989 1.786) 2.715 5.146 ( 1.387 3.910 3.198) 5.238 5.264 ( 0.727 -1.703 2.601) 3.193 5.473 ( 2.451 2.251 2.572) 4.206 5.585 ( 1.596 -1.201 -1.824) 2.704 5.743 ( -5.432 2.748 3.513) 7.029 5.869 ( -2.033 3.306 1.584) 4.192 5.956 ( 0.584 2.876 -0.410) 2.964 6.013 ( -2.280 0.907 -1.993) 3.162 6.053 ( 2.328 5.564 1.619) 6.245 6.167 ( -3.785 5.018 -3.265) 7.083 6.233 ( -0.493 1.901 -0.554) 2.041 6.316 ( -2.104 0.408 -5.936) 6.311 6.490 ( -0.110 -0.936 3.387) 3.516 6.631 ( -2.385 -0.173 -1.468) 2.806 6.734 ( -0.405 -10.866 1.617) 10.993 6.817 ( -0.380 -11.025 -1.950) 11.202 7.366 ( -3.481 1.067 1.242) 3.847 7.471 ( 1.662 1.556 -0.254) 2.291 7.609 ( -1.757 -6.607 2.180) 7.176 7.677 ( 2.399 -4.767 1.128) 5.455 7.974 ( 5.916 2.636 3.858) 7.538 8.034 ( -2.433 1.779 5.115) 5.937 8.137 ( 0.979 2.240 -4.595) 5.205 8.211 ( 0.174 -1.865 -0.852) 2.058 8.311 ( 5.418 -3.514 1.188) 6.566 8.363 ( 0.729 -4.318 -4.001) 5.932 8.438 ( 2.884 -9.982 1.493) 10.497 8.498 ( 2.218 -5.240 -0.542) 5.716 9.062 ( -0.746 4.698 1.774) 5.077 9.118 ( -1.397 7.941 1.991) 8.305 9.195 ( -3.035 0.453 -1.485) 3.409 9.270 ( 2.189 1.097 -2.182) 3.280 9.862 ( -1.582 -0.719 0.066) 1.739 9.964 ( 1.877 -1.926 -1.079) 2.898 10.048 ( -3.050 -3.378 4.460) 6.372 10.146 ( -1.194 -4.942 0.439) 5.103 10.310 ( 1.201 3.449 -0.475) 3.682 10.329 ( 0.820 2.026 -3.402) 4.043 10.452 ( -0.470 0.006 0.260) 0.537 10.568 ( 0.485 -1.170 1.182) 1.733 10.762 ( 3.288 0.897 -3.607) 4.962 10.838 ( -0.861 -0.236 -3.059) 3.187 10.930 ( -2.314 2.503 0.116) 3.411 11.070 ( -2.541 -0.183 -1.643) 3.031 11.159 ( 1.529 3.799 3.495) 5.383 11.298 ( 2.681 -2.928 -0.696) 4.030 11.328 ( -2.252 -1.328 0.242) 2.626 11.389 ( -2.402 -2.257 -1.631) 3.677 11.805 ( -5.758 7.074 0.607) 9.141 12.033 ( 2.779 -1.716 0.184) 3.271 12.091 ( -3.622 0.501 -2.090) 4.212 12.159 ( 4.753 -0.210 -0.548) 4.789 13.077 ( 2.265 5.883 4.001) 7.467 13.231 ( 0.900 -1.015 -2.458) 2.807 13.371 ( -0.319 -0.991 -2.976) 3.153 13.502 ( -1.957 -4.765 -2.389) 5.678 13.689 ( 4.355 -3.856 1.631) 6.041 13.725 ( -4.362 -5.747 7.322) 10.279 14.013 ( -0.121 -3.131 -0.454) 3.166 14.068 ( 7.402 -4.947 -1.686) 9.061 14.579 ( -1.101 2.733 0.280) 2.959 14.641 ( 1.004 0.569 -2.319) 2.590 14.720 ( 0.893 0.147 2.734) 2.880 14.788 ( -0.795 -3.960 -0.493) 4.069 15.465 ( -1.943 0.911 -0.854) 2.309 15.486 ( -3.508 0.383 -0.997) 3.667 15.658 ( 0.310 3.640 1.141) 3.827 15.770 ( 1.042 -1.151 -1.628) 2.250 16.471 ( -0.996 0.970 0.052) 1.392 16.521 ( 0.829 -1.019 -1.917) 2.324 16.604 ( 0.853 -1.445 -0.494) 1.749 16.639 ( 4.059 -2.762 0.414) 4.927 17.046 ( -0.403 -2.295 0.994) 2.533 17.061 ( 0.011 -0.110 1.375) 1.379 17.096 ( 4.320 -2.586 0.600) 5.071 17.181 ( 2.702 -4.435 -1.352) 5.367 17.640 ( -5.112 3.431 -0.325) 6.165 17.656 ( -3.842 3.670 0.356) 5.326 17.759 ( -0.147 -0.131 0.636) 0.666 17.797 ( -0.919 -1.039 -1.142) 1.796 17.947 ( -5.916 3.152 1.224) 6.814 18.013 ( -9.038 3.556 -0.174) 9.714 18.078 ( -4.647 -1.714 -0.582) 4.987 18.097 ( -2.651 0.411 0.672) 2.765 18.278 ( 2.442 1.935 0.411) 3.143 18.287 ( -0.811 -0.785 0.045) 1.130 18.388 ( 8.928 -4.704 -0.319) 10.096 18.496 ( 10.265 -6.484 -0.370) 12.147 19.281 ( -0.580 6.770 0.624) 6.823 19.338 ( -0.126 5.097 -1.576) 5.337 19.439 ( -0.508 1.988 1.594) 2.598 19.520 ( -0.834 0.088 -0.752) 1.126 19.607 ( -1.588 -2.356 0.543) 2.893 19.641 ( -0.273 -2.856 0.415) 2.899 19.780 ( -0.350 -0.502 -0.803) 1.009 19.808 ( 1.803 -1.613 -0.909) 2.585 20.721 ( -1.753 5.492 2.709) 6.370 20.833 ( -0.939 -1.351 -1.375) 2.144 20.884 ( -2.145 -2.705 0.267) 3.462 20.900 ( -0.559 -2.320 0.332) 2.409 21.027 ( 2.416 -1.280 0.952) 2.895 21.110 ( 0.173 -0.193 -4.998) 5.004 21.361 ( -0.660 -4.715 4.799) 6.760 21.504 ( 0.004 -8.125 -2.007) 8.369 22.644 ( 0.020 0.079 0.700) 0.705 22.683 ( -0.577 0.691 -1.504) 1.753 22.755 ( -1.437 -3.897 1.481) 4.410 22.792 ( -1.175 -3.116 -0.046) 3.331 23.213 ( -1.046 1.531 2.302) 2.956 23.298 ( -0.430 -2.074 0.429) 2.161 23.326 ( -1.794 -0.613 -2.904) 3.468 23.353 ( 0.043 -1.701 -1.230) 2.099 23.956 ( -0.444 -2.085 1.135) 2.415 23.998 ( 5.867 -3.330 1.917) 7.013 24.100 ( 1.407 -0.432 -1.164) 1.877 24.152 ( 3.069 -3.755 -1.972) 5.235 25.318 ( 0.005 4.303 1.079) 4.436 25.342 ( -2.294 3.079 -1.705) 4.201 25.439 ( -2.537 3.635 1.485) 4.675 25.513 ( -0.326 -0.145 -0.180) 0.400 26.484 ( -0.902 3.789 1.837) 4.306 26.630 ( 1.795 4.256 -2.887) 5.447 26.713 ( 0.201 -5.849 4.983) 7.686 26.889 ( -1.028 -7.013 -4.107) 8.192 27.429 ( 1.211 1.419 2.828) 3.388 27.510 ( -1.463 -0.583 0.873) 1.800 27.536 ( 0.277 1.849 -1.203) 2.223 27.674 ( 1.910 -1.625 -1.238) 2.797 27.920 ( 0.547 2.365 -0.910) 2.592 27.980 ( 2.721 -0.126 -2.210) 3.507 28.041 ( 0.310 4.065 1.756) 4.439 28.143 ( 1.605 1.493 -0.243) 2.205 28.733 ( -0.610 4.108 11.879) 12.584 28.895 ( -7.962 -1.567 0.174) 8.116 29.479 ( -1.003 7.548 0.057) 7.614 29.533 ( -3.800 3.257 -2.414) 5.556 29.798 ( -6.322 7.220 2.293) 9.867 29.864 ( 0.625 2.022 2.781) 3.495 29.922 ( -3.835 -0.406 -1.306) 4.071 30.010 ( 14.500 0.711 -8.665) 16.906 30.674 ( 4.593 6.593 -6.214) 10.158 30.772 ( 5.475 1.272 -6.324) 8.461 30.901 ( -5.893 3.935 3.325) 7.827 31.019 ( 1.246 -0.807 3.172) 3.502 31.210 ( 1.978 -1.284 2.692) 3.579 31.259 ( 2.743 -2.687 1.659) 4.183 31.435 ( -1.946 -0.197 -0.728) 2.087 31.475 ( -0.558 -2.462 -1.288) 2.834 32.140 ( -1.609 -0.590 0.840) 1.909 32.216 ( -1.831 -4.802 -1.574) 5.375 32.301 ( -0.838 0.409 1.723) 1.959 32.411 ( 2.203 -4.422 -0.872) 5.017 36.866 ( -0.418 -0.498 0.351) 0.739 36.874 ( -0.392 -0.646 0.149) 0.770 37.376 ( -1.164 -1.921 1.774) 2.862 37.459 ( -2.470 -5.985 -2.399) 6.905 39.535 ( -0.368 3.182 1.578) 3.571 39.597 ( 0.268 -0.288 -0.430) 0.583 40.692 ( -1.207 5.233 -1.239) 5.511 40.736 ( 3.648 3.185 -1.694) 5.131 ======================= Grid point 64 (35/55) ======================= q-point: (-0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -1.193 10.244 -1.557) 10.430 1.506 ( 0.215 4.048 -5.153) 6.557 1.654 ( -0.494 11.204 3.178) 11.657 1.735 ( 3.415 4.293 4.617) 7.170 1.811 ( 2.361 4.629 1.618) 5.442 1.922 ( 0.335 2.070 -0.006) 2.097 2.013 ( -0.378 10.056 -1.476) 10.171 2.131 ( -3.479 -0.341 3.775) 5.145 2.180 ( 1.194 1.766 -1.005) 2.357 2.248 ( 2.140 2.715 -2.152) 4.072 2.314 ( 1.668 -3.570 -0.546) 3.978 2.389 ( 3.461 9.274 1.274) 9.980 2.445 ( 0.568 -3.437 -0.113) 3.485 2.560 ( 0.685 1.859 -1.221) 2.327 2.606 ( 4.736 3.786 -0.460) 6.080 2.638 ( -0.853 -2.624 1.251) 3.030 2.692 ( 1.532 -3.134 -2.234) 4.142 2.739 ( -0.593 -1.068 -0.264) 1.250 2.754 ( -1.024 -0.633 0.381) 1.263 2.787 ( 2.219 -1.960 0.486) 3.000 2.835 ( -1.293 -0.311 -0.867) 1.588 2.883 ( -1.161 -2.256 3.575) 4.384 3.042 ( -0.355 3.964 0.396) 3.999 3.086 ( -1.980 7.720 1.098) 8.045 3.163 ( 2.885 3.771 0.046) 4.748 3.235 ( -0.918 5.152 0.574) 5.265 3.277 ( -0.533 2.214 -0.612) 2.358 3.366 ( 0.088 0.464 1.384) 1.462 3.441 ( 0.227 -0.804 -2.190) 2.344 3.552 ( -4.438 3.979 -3.316) 6.821 3.640 ( -0.744 2.563 -0.317) 2.688 3.674 ( -2.296 -1.170 -7.143) 7.593 3.841 ( 3.566 0.216 2.039) 4.113 3.912 ( 4.509 -1.349 3.893) 6.108 4.070 ( 2.936 2.106 1.977) 4.119 4.158 ( 3.598 0.435 -2.043) 4.160 4.274 ( -1.505 7.005 2.683) 7.651 4.296 ( -3.719 2.528 -1.409) 4.712 4.396 ( -7.988 3.995 -5.664) 10.575 4.594 ( 0.417 -4.472 -7.130) 8.427 4.741 ( 1.201 4.316 0.110) 4.482 4.857 ( 1.831 2.552 3.636) 4.804 5.030 ( 10.115 -2.517 3.027) 10.854 5.063 ( 4.264 -1.117 2.768) 5.205 5.211 ( 2.326 2.190 -0.659) 3.262 5.279 ( -1.297 -0.854 1.160) 1.938 5.526 ( 1.232 4.282 1.805) 4.808 5.581 ( -2.354 0.324 3.022) 3.845 5.644 ( -4.408 6.260 1.955) 7.902 5.876 ( 0.464 0.343 5.336) 5.367 5.934 ( -2.540 -3.084 -2.890) 4.931 5.984 ( 1.846 0.216 -2.118) 2.818 6.047 ( -2.977 3.438 2.295) 5.095 6.108 ( -3.628 2.288 0.543) 4.324 6.166 ( -1.486 4.728 -0.367) 4.970 6.302 ( 2.153 -2.941 -2.726) 4.551 6.434 ( -6.432 -0.823 0.644) 6.517 6.581 ( -1.757 -1.614 0.562) 2.451 6.709 ( -2.450 -13.237 0.293) 13.466 6.794 ( -1.166 -12.408 -1.322) 12.533 7.323 ( -0.628 0.963 2.420) 2.679 7.479 ( -1.230 -4.602 1.495) 4.993 7.620 ( 3.239 1.105 -0.539) 3.464 7.719 ( 1.063 -2.725 -1.962) 3.523 7.997 ( -2.678 1.313 4.556) 5.446 8.097 ( 3.355 -2.479 3.538) 5.470 8.135 ( -0.091 2.059 -3.044) 3.676 8.292 ( 5.807 -0.923 -0.240) 5.884 8.381 ( 1.126 -4.224 2.419) 4.996 8.446 ( 3.194 0.148 -0.005) 3.197 8.491 ( 5.649 -1.930 -1.834) 6.246 8.573 ( 4.514 -2.981 -1.096) 5.519 9.069 ( -1.473 4.647 0.823) 4.943 9.085 ( 0.869 2.655 2.008) 3.440 9.137 ( -1.185 1.962 -0.263) 2.307 9.299 ( 0.988 -2.341 -3.234) 4.113 9.821 ( -2.699 0.618 1.622) 3.209 9.970 ( -0.839 -2.341 -2.211) 3.327 10.033 ( 1.413 -0.376 2.138) 2.590 10.112 ( -2.103 -2.247 0.139) 3.080 10.337 ( 4.137 5.319 -2.548) 7.204 10.393 ( 2.868 1.077 1.584) 3.449 10.451 ( 0.581 -0.955 -0.078) 1.121 10.611 ( 1.524 -3.841 3.278) 5.274 10.707 ( -5.186 -1.467 -3.253) 6.295 10.751 ( -5.359 -0.173 -2.979) 6.134 10.860 ( -3.244 3.321 -3.321) 5.708 11.015 ( -1.252 -2.559 -3.046) 4.171 11.229 ( -0.517 3.665 2.328) 4.373 11.262 ( -3.171 1.032 -1.716) 3.750 11.268 ( -1.815 1.719 -0.211) 2.509 11.382 ( 1.503 -4.316 0.818) 4.643 11.794 ( 2.137 5.085 2.804) 6.188 11.988 ( -2.748 3.942 -1.876) 5.158 12.060 ( -1.446 -6.808 2.232) 7.309 12.213 ( 0.454 -4.628 -1.856) 5.007 13.129 ( 0.278 2.250 3.168) 3.896 13.219 ( -2.163 -2.819 1.539) 3.872 13.374 ( 0.175 -0.267 -2.465) 2.486 13.404 ( -2.721 -1.402 -4.552) 5.485 13.692 ( 4.691 2.728 0.834) 5.490 13.914 ( 9.134 -3.516 -4.484) 10.765 14.047 ( 4.988 -2.094 6.053) 8.118 14.222 ( 8.230 -7.287 -0.433) 11.001 14.555 ( -2.048 2.952 1.343) 3.835 14.626 ( -1.120 0.544 -2.021) 2.374 14.716 ( -2.842 -1.948 0.877) 3.555 14.747 ( -3.866 -3.113 0.864) 5.038 15.401 ( -2.268 0.868 1.145) 2.685 15.432 ( -3.048 -1.063 2.360) 3.998 15.667 ( 0.648 3.182 -2.661) 4.199 15.747 ( -2.286 -0.869 -3.112) 3.958 16.463 ( -0.007 3.739 1.155) 3.913 16.540 ( 1.711 0.696 -1.947) 2.684 16.654 ( 3.765 -4.035 -0.228) 5.524 16.724 ( 3.708 -5.784 0.072) 6.871 17.059 ( 2.340 2.085 0.969) 3.281 17.117 ( 4.767 2.036 0.057) 5.184 17.192 ( 4.199 -2.421 -0.152) 4.849 17.250 ( 3.030 -1.973 -0.219) 3.622 17.499 ( -6.532 2.177 -0.265) 6.890 17.557 ( -4.671 0.839 0.783) 4.810 17.712 ( -7.915 -5.174 -0.027) 9.456 17.723 ( -4.026 -3.373 -0.480) 5.275 17.848 ( -4.970 3.459 0.782) 6.106 17.862 ( -4.050 2.508 -0.925) 4.853 17.905 ( -7.837 -1.528 -0.720) 8.017 17.966 ( -6.740 -1.797 0.905) 7.034 18.363 ( 5.441 3.729 1.294) 6.722 18.405 ( 5.736 5.478 -0.225) 7.934 18.558 ( 6.979 -5.032 0.763) 8.638 18.675 ( 6.844 -6.959 -0.446) 9.771 19.276 ( -0.322 7.361 1.264) 7.475 19.347 ( 1.345 3.649 -0.208) 3.894 19.425 ( -1.088 1.739 0.649) 2.152 19.481 ( -2.402 0.276 -1.269) 2.731 19.580 ( -0.825 -2.023 0.242) 2.198 19.618 ( -2.028 -2.603 0.009) 3.300 19.773 ( 0.065 1.091 -0.747) 1.324 19.831 ( 0.674 -1.361 -0.854) 1.742 20.686 ( -2.339 5.429 2.262) 6.329 20.794 ( -1.546 -1.377 -2.028) 2.898 20.840 ( -1.396 -1.491 0.302) 2.065 20.893 ( -1.257 -2.535 1.316) 3.120 21.067 ( 1.034 -2.040 0.712) 2.396 21.115 ( 2.394 -2.154 -3.775) 4.962 21.359 ( -1.724 -3.862 4.301) 6.032 21.493 ( -0.001 -7.417 -1.992) 7.680 22.645 ( -0.304 -0.844 0.040) 0.898 22.664 ( -0.455 0.192 -0.488) 0.695 22.710 ( -2.420 -2.602 -0.001) 3.553 22.761 ( -2.271 -2.665 0.909) 3.617 23.188 ( -1.693 1.712 1.872) 3.050 23.282 ( -0.719 -0.529 -2.328) 2.493 23.294 ( -0.524 -2.858 0.508) 2.950 23.341 ( -0.667 -2.652 -0.933) 2.890 23.974 ( 1.700 0.923 0.680) 2.050 24.120 ( 3.786 -2.916 -1.985) 5.174 24.159 ( 4.851 -2.678 1.143) 5.658 24.231 ( 4.477 -3.948 -0.333) 5.978 25.289 ( -1.798 3.366 0.057) 3.817 25.313 ( -1.412 1.985 1.661) 2.949 25.374 ( -3.270 4.270 -0.109) 5.380 25.476 ( -2.694 -1.163 -0.856) 3.057 26.489 ( 0.691 4.547 1.420) 4.813 26.638 ( 0.688 4.956 -2.507) 5.596 26.733 ( -1.213 -5.749 4.372) 7.323 26.866 ( 0.433 -4.940 -2.792) 5.691 27.459 ( 0.684 0.729 2.307) 2.514 27.519 ( 0.736 0.924 2.148) 2.451 27.538 ( 1.258 4.380 -3.163) 5.548 27.682 ( -1.001 3.059 -1.023) 3.377 27.951 ( 3.728 4.359 -1.052) 5.832 28.053 ( 3.886 0.789 0.233) 3.972 28.106 ( 5.823 -1.172 0.143) 5.942 28.185 ( 1.716 0.455 0.823) 1.957 28.696 ( -9.325 0.615 2.933) 9.795 28.714 ( -7.232 1.401 5.323) 9.088 29.402 ( -3.202 6.016 -3.041) 7.463 29.461 ( -2.936 2.998 -1.387) 4.419 29.684 ( -5.813 7.189 9.175) 13.025 29.807 ( -5.545 -2.628 8.905) 10.815 30.027 ( 9.287 6.891 -8.938) 14.615 30.226 ( 12.453 -0.205 -14.328) 18.985 30.735 ( 1.811 4.099 -2.181) 4.983 30.784 ( -0.912 5.535 -0.253) 5.616 30.896 ( 4.064 2.479 -1.877) 5.116 31.031 ( -1.985 -4.961 6.227) 8.205 31.231 ( 0.684 4.139 -3.410) 5.406 31.357 ( 3.876 -4.917 1.582) 6.458 31.389 ( -1.217 -5.040 -2.497) 5.755 31.471 ( 0.244 -3.809 2.578) 4.606 32.086 ( -3.893 0.017 1.289) 4.101 32.185 ( -0.667 -3.825 -0.183) 3.887 32.281 ( -1.595 1.362 0.415) 2.138 32.425 ( 0.124 -4.606 -2.674) 5.327 36.854 ( -0.737 -0.645 0.213) 1.002 36.862 ( -0.800 -0.990 0.199) 1.288 37.342 ( -2.597 -1.592 1.555) 3.420 37.382 ( -3.340 -3.499 -1.777) 5.153 39.535 ( -0.334 3.200 1.271) 3.459 39.594 ( -0.301 -0.189 -0.494) 0.609 40.688 ( 1.085 6.912 -0.317) 7.003 40.802 ( 3.417 1.466 -2.555) 4.511 ======================= Grid point 65 (36/55) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.783 -3.528 -2.725) 4.526 1.515 ( 0.783 3.528 -2.725) 4.526 1.836 ( -0.420 -5.344 4.836) 7.219 1.836 ( -0.420 5.344 4.836) 7.219 1.916 ( 2.862 -4.374 2.914) 5.985 1.916 ( 2.862 4.374 2.914) 5.985 2.123 ( -2.851 -0.524 -2.970) 4.150 2.123 ( -2.851 0.524 -2.970) 4.150 2.204 ( 0.116 -5.607 3.013) 6.366 2.204 ( 0.116 5.607 3.013) 6.366 2.361 ( 1.402 -3.837 -1.481) 4.345 2.361 ( 1.402 3.837 -1.481) 4.345 2.526 ( -0.879 -2.274 -1.928) 3.108 2.526 ( -0.879 2.274 -1.928) 3.108 2.624 ( -1.818 -1.954 -0.962) 2.837 2.624 ( -1.818 1.954 -0.962) 2.837 2.694 ( -1.035 -0.236 -2.613) 2.820 2.694 ( -1.035 0.236 -2.613) 2.820 2.782 ( 0.216 -2.170 2.410) 3.250 2.782 ( 0.216 2.170 2.410) 3.250 2.856 ( 2.392 -0.352 1.845) 3.041 2.856 ( 2.392 0.352 1.845) 3.041 3.106 ( 0.403 -1.022 0.745) 1.328 3.106 ( 0.403 1.022 0.745) 1.328 3.230 ( -0.733 -2.492 -1.333) 2.919 3.230 ( -0.733 2.492 -1.333) 2.919 3.414 ( -1.379 -2.471 1.010) 3.004 3.414 ( -1.379 2.471 1.010) 3.004 3.471 ( 1.247 -5.872 -1.363) 6.156 3.471 ( 1.247 5.872 -1.363) 6.156 3.618 ( 0.657 -0.522 -4.953) 5.024 3.618 ( 0.657 0.522 -4.953) 5.024 3.968 ( 0.810 -1.203 5.120) 5.322 3.968 ( 0.810 1.203 5.120) 5.322 4.137 ( -2.409 -3.564 0.127) 4.304 4.137 ( -2.409 3.564 0.127) 4.304 4.328 ( 0.715 -4.340 -2.769) 5.198 4.328 ( 0.715 4.340 -2.769) 5.198 4.404 ( -1.200 -7.236 -4.657) 8.688 4.404 ( -1.200 7.236 -4.657) 8.688 4.841 ( 0.306 -2.781 0.864) 2.928 4.841 ( 0.306 2.781 0.864) 2.928 5.123 ( -1.326 -2.533 -0.344) 2.880 5.123 ( -1.326 2.533 -0.344) 2.880 5.244 ( -0.121 -1.227 0.283) 1.265 5.244 ( -0.121 1.227 0.283) 1.265 5.599 ( 1.005 -0.071 6.128) 6.210 5.599 ( 1.005 0.071 6.128) 6.210 5.736 ( -2.840 -5.732 -0.192) 6.400 5.736 ( -2.840 5.732 -0.192) 6.400 5.993 ( 2.113 -2.833 -1.654) 3.902 5.993 ( 2.113 2.833 -1.654) 3.902 6.074 ( 2.475 -3.284 2.263) 4.693 6.074 ( 2.475 3.284 2.263) 4.693 6.234 ( -0.228 -5.396 1.375) 5.574 6.234 ( -0.228 5.396 1.375) 5.574 6.448 ( 0.299 -6.473 -0.387) 6.491 6.448 ( 0.299 6.473 -0.387) 6.491 6.563 ( -0.266 -3.890 0.101) 3.900 6.563 ( -0.266 3.890 0.101) 3.900 7.398 ( 0.858 -2.468 5.279) 5.890 7.398 ( 0.858 2.468 5.279) 5.890 7.664 ( -2.449 -2.474 -4.692) 5.842 7.664 ( -2.449 2.474 -4.692) 5.842 8.055 ( -0.468 -6.043 3.263) 6.883 8.055 ( -0.468 6.043 3.263) 6.883 8.181 ( 0.116 -5.328 -1.155) 5.454 8.181 ( 0.116 5.329 -1.155) 5.454 8.463 ( 0.151 -0.609 1.654) 1.769 8.463 ( 0.151 0.609 1.654) 1.769 8.593 ( 0.145 -0.838 -2.656) 2.789 8.593 ( 0.145 0.838 -2.656) 2.789 9.140 ( 3.029 -2.930 0.095) 4.215 9.140 ( 3.029 2.930 0.095) 4.215 9.180 ( -2.409 -3.196 0.769) 4.075 9.180 ( -2.409 3.196 0.769) 4.075 9.882 ( 0.135 -4.290 0.606) 4.335 9.882 ( 0.135 4.290 0.606) 4.335 10.086 ( 0.042 -0.253 -0.375) 0.454 10.086 ( 0.042 0.253 -0.375) 0.454 10.389 ( -1.145 -1.354 -2.408) 2.990 10.389 ( -1.145 1.354 -2.408) 2.990 10.553 ( 0.691 -5.116 3.308) 6.132 10.553 ( 0.691 5.116 3.308) 6.132 10.654 ( -0.385 -3.021 -0.641) 3.112 10.654 ( -0.385 3.021 -0.641) 3.112 10.893 ( 1.435 -4.694 -5.745) 7.556 10.893 ( 1.435 4.694 -5.745) 7.556 11.203 ( -1.600 -2.617 -2.161) 3.753 11.203 ( -1.600 2.617 -2.161) 3.753 11.382 ( 2.646 -2.074 3.439) 4.809 11.382 ( 2.646 2.074 3.439) 4.809 11.897 ( -2.489 -4.843 2.954) 6.195 11.897 ( -2.489 4.843 2.954) 6.195 12.070 ( 0.843 -5.720 -1.959) 6.104 12.070 ( 0.843 5.720 -1.959) 6.104 13.138 ( -1.552 -1.326 2.998) 3.627 13.138 ( -1.552 1.326 2.998) 3.627 13.354 ( 1.828 -3.457 -4.617) 6.051 13.354 ( 1.828 3.457 -4.617) 6.051 13.946 ( -0.080 -5.246 -1.457) 5.445 13.946 ( -0.080 5.246 -1.457) 5.445 14.176 ( 1.942 -5.930 0.456) 6.256 14.176 ( 1.942 5.930 0.456) 6.256 14.544 ( -5.539 -2.459 3.589) 7.044 14.544 ( -5.539 2.459 3.589) 7.044 14.675 ( 2.914 -3.105 -1.421) 4.489 14.675 ( 2.914 3.105 -1.421) 4.489 15.411 ( 1.526 -0.534 4.121) 4.427 15.411 ( 1.526 0.534 4.121) 4.427 15.669 ( -0.870 -0.768 -5.535) 5.655 15.669 ( -0.870 0.768 -5.535) 5.655 16.586 ( 1.042 -4.871 -0.320) 4.991 16.586 ( 1.042 4.871 -0.320) 4.991 16.635 ( -0.631 -2.727 0.210) 2.807 16.635 ( -0.631 2.727 0.210) 2.807 17.196 ( -0.598 -2.231 0.567) 2.379 17.196 ( -0.598 2.231 0.567) 2.379 17.271 ( -0.286 -2.031 -0.876) 2.231 17.271 ( -0.286 2.031 -0.876) 2.231 17.456 ( -0.142 -2.276 0.916) 2.457 17.456 ( -0.142 2.276 0.916) 2.457 17.530 ( 0.560 -2.355 -0.592) 2.492 17.530 ( 0.560 2.355 -0.592) 2.492 17.834 ( -0.284 -0.864 -0.390) 0.990 17.834 ( -0.284 0.864 -0.390) 0.990 17.870 ( 0.177 -1.147 0.546) 1.283 17.870 ( 0.177 1.147 0.546) 1.283 18.533 ( 0.230 -5.657 1.635) 5.893 18.533 ( 0.230 5.657 1.635) 5.893 18.596 ( 0.147 -6.848 -0.546) 6.872 18.596 ( 0.147 6.848 -0.546) 6.872 19.366 ( -0.921 -2.109 1.386) 2.687 19.366 ( -0.921 2.109 1.386) 2.687 19.441 ( 0.615 -1.667 -1.419) 2.274 19.441 ( 0.615 1.667 -1.419) 2.274 19.581 ( 0.690 -0.832 0.754) 1.318 19.581 ( 0.690 0.832 0.754) 1.318 19.797 ( -0.481 -1.739 -1.196) 2.165 19.797 ( -0.481 1.739 -1.196) 2.165 20.737 ( 0.076 -2.070 -0.655) 2.173 20.737 ( 0.076 2.070 -0.655) 2.173 20.835 ( -0.165 -1.360 1.302) 1.890 20.835 ( -0.165 1.360 1.302) 1.890 21.078 ( 0.443 -2.675 -0.105) 2.714 21.078 ( 0.443 2.675 -0.105) 2.714 21.369 ( -0.160 -4.649 0.039) 4.652 21.369 ( -0.160 4.649 0.039) 4.652 22.629 ( -0.314 -0.723 -0.416) 0.892 22.629 ( -0.314 0.723 -0.416) 0.892 22.698 ( 0.092 -0.819 0.308) 0.880 22.698 ( 0.092 0.819 0.308) 0.880 23.222 ( -0.464 -3.216 0.700) 3.324 23.222 ( -0.464 3.216 0.700) 3.324 23.279 ( 0.420 -1.480 -1.451) 2.115 23.279 ( 0.420 1.480 -1.451) 2.115 24.077 ( 0.113 -4.815 1.673) 5.098 24.077 ( 0.113 4.815 1.673) 5.098 24.209 ( 0.161 -2.980 -1.679) 3.425 24.209 ( 0.161 2.980 -1.679) 3.425 25.310 ( -0.157 -0.449 1.645) 1.712 25.310 ( -0.157 0.449 1.645) 1.712 25.403 ( -0.168 -2.107 -1.357) 2.512 25.403 ( -0.168 2.107 -1.357) 2.512 26.597 ( -0.927 -4.430 1.527) 4.776 26.597 ( -0.927 4.430 1.527) 4.776 26.774 ( 1.231 -5.164 -0.926) 5.389 26.774 ( 1.231 5.164 -0.926) 5.389 27.504 ( -1.023 -2.488 2.385) 3.595 27.504 ( -1.023 2.488 2.385) 3.595 27.670 ( 1.380 -3.853 -3.787) 5.576 27.670 ( 1.380 3.853 -3.787) 5.576 28.089 ( -1.917 -4.016 0.532) 4.482 28.089 ( -1.917 4.016 0.532) 4.482 28.179 ( 1.632 -4.133 1.139) 4.587 28.179 ( 1.632 4.133 1.139) 4.587 28.620 ( -0.980 -0.844 3.440) 3.676 28.620 ( -0.980 0.844 3.440) 3.676 29.428 ( 1.123 -0.906 -3.066) 3.388 29.428 ( 1.123 0.906 -3.066) 3.388 29.721 ( -4.698 -1.265 10.218) 11.318 29.721 ( -4.698 1.265 10.218) 11.318 30.296 ( 8.048 -6.516 -13.021) 16.636 30.296 ( 8.048 6.516 -13.021) 16.636 30.770 ( -5.738 -3.957 3.561) 7.827 30.770 ( -5.738 3.957 3.561) 7.827 31.009 ( 3.718 -4.680 0.931) 6.049 31.009 ( 3.718 4.680 0.931) 6.049 31.225 ( -3.422 -0.810 -4.560) 5.759 31.225 ( -3.422 0.810 -4.560) 5.759 31.411 ( 1.625 -0.554 1.782) 2.475 31.411 ( 1.625 0.554 1.782) 2.475 32.113 ( 0.482 -3.774 2.900) 4.784 32.113 ( 0.482 3.774 2.900) 4.784 32.315 ( -0.703 -4.305 -3.311) 5.476 32.315 ( -0.703 4.305 -3.311) 5.476 36.839 ( -0.145 -0.138 0.191) 0.276 36.839 ( -0.145 0.138 0.191) 0.276 37.314 ( 0.212 -1.183 0.007) 1.202 37.314 ( 0.212 1.183 0.007) 1.202 39.577 ( -0.208 -1.253 0.343) 1.316 39.577 ( -0.208 1.253 0.343) 1.316 40.808 ( 0.365 -3.082 -0.961) 3.249 40.808 ( 0.365 3.082 -0.961) 3.249 ======================= Grid point 67 (37/55) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -1.365 -2.319 -3.882) 4.723 1.490 ( -1.365 2.319 -3.882) 4.723 1.820 ( -2.218 -4.384 2.902) 5.707 1.820 ( -2.218 4.384 2.902) 5.707 2.007 ( 1.302 -3.165 1.447) 3.716 2.007 ( 1.302 3.165 1.447) 3.716 2.061 ( -0.052 -2.657 0.231) 2.668 2.061 ( -0.052 2.657 0.231) 2.668 2.227 ( 1.411 -7.837 1.891) 8.185 2.227 ( 1.411 7.837 1.891) 8.185 2.362 ( -1.756 -1.130 -2.220) 3.048 2.362 ( -1.756 1.130 -2.220) 3.048 2.499 ( -1.234 -4.824 -0.139) 4.981 2.499 ( -1.234 4.824 -0.139) 4.981 2.561 ( -2.831 -1.793 0.196) 3.357 2.561 ( -2.831 1.793 0.196) 3.357 2.662 ( -1.786 -0.710 -1.340) 2.343 2.662 ( -1.786 0.710 -1.340) 2.343 2.782 ( -0.230 -2.741 1.846) 3.313 2.782 ( -0.230 2.741 1.846) 3.313 2.902 ( 0.558 -3.512 0.164) 3.560 2.902 ( 0.558 3.512 0.164) 3.560 3.122 ( 0.247 -2.748 0.422) 2.791 3.122 ( 0.247 2.748 0.422) 2.791 3.223 ( 1.210 -3.382 0.673) 3.654 3.223 ( 1.210 3.382 0.673) 3.654 3.346 ( -4.657 -3.496 0.912) 5.894 3.346 ( -4.657 3.496 0.912) 5.894 3.520 ( 2.959 -6.512 -1.746) 7.362 3.520 ( 2.959 6.512 -1.746) 7.362 3.615 ( 1.079 -3.860 -4.749) 6.214 3.615 ( 1.079 3.860 -4.749) 6.214 3.954 ( -3.857 -2.239 3.853) 5.894 3.954 ( -3.857 2.239 3.853) 5.894 4.090 ( -1.252 -3.896 0.046) 4.092 4.090 ( -1.252 3.896 0.046) 4.092 4.283 ( -1.073 -7.472 -2.898) 8.086 4.283 ( -1.073 7.472 -2.898) 8.086 4.442 ( 3.657 -2.531 -2.745) 5.226 4.442 ( 3.657 2.531 -2.745) 5.226 4.822 ( -0.854 -2.170 1.192) 2.619 4.822 ( -0.854 2.170 1.192) 2.619 5.096 ( -3.989 -0.431 3.143) 5.096 5.096 ( -3.989 0.431 3.143) 5.096 5.176 ( -2.413 -1.055 -1.170) 2.882 5.176 ( -2.413 1.055 -1.170) 2.882 5.585 ( -4.695 -3.258 3.062) 6.483 5.585 ( -4.695 3.258 3.062) 6.483 5.788 ( 6.348 -2.321 2.259) 7.127 5.788 ( 6.348 2.321 2.259) 7.127 6.017 ( 2.091 -1.821 -2.293) 3.598 6.017 ( 2.091 1.821 -2.293) 3.598 6.146 ( -0.095 -3.375 1.510) 3.699 6.146 ( -0.095 3.375 1.510) 3.699 6.270 ( 4.265 -4.687 -0.197) 6.340 6.270 ( 4.265 4.687 -0.197) 6.340 6.490 ( 4.249 -4.105 -0.522) 5.931 6.490 ( 4.249 4.105 -0.522) 5.931 6.613 ( 3.478 -5.777 -0.074) 6.743 6.613 ( 3.478 5.777 -0.074) 6.743 7.433 ( 0.074 -2.372 5.131) 5.654 7.433 ( 0.074 2.372 5.131) 5.654 7.561 ( -4.073 -5.191 -3.888) 7.658 7.561 ( -4.073 5.191 -3.888) 7.658 8.047 ( -1.802 -4.855 3.405) 6.197 8.047 ( -1.802 4.855 3.405) 6.197 8.213 ( 2.304 -4.513 -1.085) 5.182 8.213 ( 2.304 4.513 -1.085) 5.182 8.410 ( -6.045 -2.557 1.555) 6.746 8.410 ( -6.045 2.557 1.555) 6.746 8.505 ( -6.812 -0.666 -2.792) 7.392 8.505 ( -6.812 0.666 -2.792) 7.392 9.139 ( -0.391 -0.496 1.322) 1.465 9.139 ( -0.391 0.496 1.322) 1.465 9.205 ( 2.330 -5.515 -0.969) 6.065 9.205 ( 2.330 5.515 -0.969) 6.065 9.890 ( 0.326 -3.404 1.034) 3.572 9.890 ( 0.326 3.404 1.034) 3.572 10.074 ( -0.448 -2.443 0.012) 2.483 10.074 ( -0.448 2.443 0.012) 2.483 10.376 ( 0.118 -3.948 -0.782) 4.026 10.376 ( 0.118 3.948 -0.782) 4.026 10.479 ( -3.559 -4.822 -0.819) 6.048 10.479 ( -3.559 4.822 -0.819) 6.048 10.772 ( 7.959 -3.905 0.700) 8.893 10.772 ( 7.959 3.905 0.700) 8.893 10.873 ( -1.292 -5.986 -4.714) 7.728 10.873 ( -1.292 5.986 -4.714) 7.728 11.256 ( 5.533 -4.696 0.253) 7.262 11.256 ( 5.533 4.696 0.253) 7.262 11.401 ( -2.240 -1.662 0.875) 2.924 11.401 ( -2.240 1.662 0.875) 2.924 11.890 ( 1.878 -3.967 1.596) 4.670 11.890 ( 1.878 3.967 1.596) 4.670 12.093 ( 1.406 -3.850 -1.006) 4.221 12.093 ( 1.406 3.850 -1.006) 4.221 13.135 ( -0.017 -2.317 1.627) 2.831 13.135 ( -0.017 2.317 1.627) 2.831 13.399 ( 3.081 -5.734 -2.670) 7.035 13.399 ( 3.081 5.734 -2.670) 7.035 13.832 ( -6.468 -1.319 -1.206) 6.710 13.832 ( -6.468 1.319 -1.206) 6.710 14.073 ( -10.984 -4.844 1.837) 12.144 14.073 ( -10.984 4.844 1.837) 12.144 14.555 ( 4.353 -1.713 0.014) 4.678 14.555 ( 4.353 1.713 0.014) 4.678 14.733 ( 1.507 -2.362 0.395) 2.829 14.733 ( 1.507 2.362 0.395) 2.829 15.491 ( 3.051 -1.324 3.750) 5.012 15.491 ( 3.051 1.324 3.750) 5.012 15.655 ( 2.303 -1.691 -4.887) 5.661 15.655 ( 2.303 1.691 -4.887) 5.661 16.557 ( -2.677 -5.384 -0.665) 6.050 16.557 ( -2.677 5.384 -0.665) 6.050 16.617 ( -1.489 -3.685 0.100) 3.976 16.617 ( -1.489 3.685 0.100) 3.976 17.102 ( -6.443 -2.016 0.766) 6.794 17.102 ( -6.443 2.016 0.766) 6.794 17.185 ( -4.747 -3.289 -0.288) 5.782 17.185 ( -4.747 3.289 -0.288) 5.782 17.579 ( 8.060 -0.992 0.396) 8.130 17.579 ( 8.060 0.992 0.396) 8.130 17.638 ( 7.915 -2.378 -0.722) 8.296 17.638 ( 7.915 2.378 -0.722) 8.296 17.880 ( 4.446 -1.683 -0.379) 4.769 17.880 ( 4.446 1.683 -0.379) 4.769 17.928 ( 5.859 -2.649 0.662) 6.464 17.928 ( 5.859 2.649 0.662) 6.464 18.472 ( -6.505 -4.279 1.205) 7.878 18.472 ( -6.505 4.279 1.205) 7.878 18.533 ( -6.243 -5.417 -0.487) 8.280 18.533 ( -6.243 5.417 -0.487) 8.280 19.368 ( 0.392 -2.431 1.316) 2.792 19.368 ( 0.392 2.431 1.316) 2.792 19.463 ( 1.777 -3.245 -1.006) 3.834 19.463 ( 1.777 3.245 -1.006) 3.834 19.597 ( 0.554 -1.819 0.388) 1.941 19.597 ( 0.554 1.819 0.388) 1.941 19.780 ( -0.571 -1.664 -1.025) 2.037 19.780 ( -0.571 1.664 -1.025) 2.037 20.752 ( 1.546 -1.893 -0.380) 2.473 20.752 ( 1.546 1.893 -0.380) 2.473 20.852 ( 1.174 -0.986 0.998) 1.829 20.852 ( 1.174 0.986 0.998) 1.829 21.079 ( -0.337 -4.345 -0.377) 4.374 21.079 ( -0.337 4.345 -0.377) 4.374 21.369 ( 0.027 -5.185 0.120) 5.186 21.369 ( 0.027 5.185 0.120) 5.186 22.636 ( 1.061 -1.338 -0.037) 1.708 22.636 ( 1.061 1.338 -0.037) 1.708 22.717 ( 1.467 -1.324 0.157) 1.982 22.717 ( 1.467 1.324 0.157) 1.982 23.225 ( 0.458 -3.466 0.656) 3.557 23.225 ( 0.458 3.466 0.656) 3.557 23.295 ( 1.877 -0.931 -1.336) 2.485 23.295 ( 1.877 0.931 -1.336) 2.485 24.043 ( -4.048 -2.885 1.480) 5.187 24.043 ( -4.048 2.885 1.480) 5.187 24.164 ( -3.350 -2.518 -1.584) 4.480 24.164 ( -3.350 2.518 -1.584) 4.480 25.340 ( 2.311 -1.939 0.601) 3.076 25.340 ( 2.311 1.939 0.601) 3.076 25.425 ( 2.473 -1.727 -0.289) 3.030 25.425 ( 2.473 1.727 -0.289) 3.030 26.579 ( -1.415 -2.961 1.631) 3.665 26.579 ( -1.415 2.961 1.631) 3.665 26.785 ( 0.297 -5.615 -1.276) 5.766 26.785 ( 0.297 5.615 -1.276) 5.766 27.483 ( -1.959 -3.285 2.371) 4.500 27.483 ( -1.959 3.285 2.371) 4.500 27.664 ( -0.761 -1.504 -3.028) 3.466 27.664 ( -0.761 1.504 -3.028) 3.466 28.004 ( -4.478 -2.139 -1.231) 5.113 28.004 ( -4.478 2.139 -1.231) 5.113 28.174 ( -2.325 -2.508 2.476) 4.222 28.174 ( -2.325 2.508 2.476) 4.222 28.709 ( 5.999 -7.323 3.978) 10.268 28.709 ( 5.999 7.323 3.978) 10.268 29.482 ( 5.405 -0.862 -4.071) 6.821 29.482 ( 5.405 0.862 -4.071) 6.821 29.697 ( -1.458 -0.698 8.298) 8.454 29.697 ( -1.458 0.698 8.297) 8.454 30.314 ( -2.522 -6.881 -9.678) 12.140 30.314 ( -2.522 6.881 -9.678) 12.140 30.678 ( -2.468 -1.397 0.362) 2.859 30.678 ( -2.468 1.397 0.362) 2.859 31.058 ( -0.018 -4.852 1.799) 5.175 31.058 ( -0.018 4.852 1.799) 5.175 31.156 ( -1.130 -1.927 -1.485) 2.683 31.156 ( -1.130 1.927 -1.485) 2.683 31.445 ( 1.212 -2.102 0.068) 2.427 31.445 ( 1.212 2.102 0.068) 2.427 32.154 ( 1.869 -2.414 2.538) 3.970 32.154 ( 1.869 2.414 2.538) 3.970 32.291 ( -0.020 -3.454 -2.694) 4.381 32.291 ( -0.020 3.454 -2.694) 4.381 36.847 ( 0.729 -0.250 0.233) 0.806 36.847 ( 0.729 0.250 0.233) 0.806 37.342 ( 2.294 -2.402 -0.160) 3.325 37.342 ( 2.294 2.402 -0.160) 3.325 39.576 ( -0.065 -1.243 0.413) 1.312 39.576 ( -0.065 1.243 0.413) 1.312 40.790 ( -1.405 -2.472 -0.990) 3.011 40.790 ( -1.405 2.472 -0.990) 3.011 ======================= Grid point 69 (38/55) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.335 -2.079 -5.114) 5.679 1.462 ( 1.335 2.079 -5.114) 5.679 1.779 ( -3.459 -3.593 2.495) 5.577 1.779 ( -3.459 3.593 2.495) 5.577 1.964 ( -0.492 -2.215 -3.027) 3.783 1.964 ( -0.492 2.215 -3.027) 3.783 2.120 ( -0.088 -4.064 2.459) 4.751 2.120 ( -0.088 4.064 2.459) 4.751 2.260 ( 0.304 -3.575 0.634) 3.644 2.260 ( 0.304 3.575 0.634) 3.644 2.282 ( -1.990 -2.408 -2.256) 3.854 2.282 ( -1.990 2.408 -2.256) 3.854 2.473 ( -1.499 -2.235 2.017) 3.363 2.473 ( -1.499 2.235 2.017) 3.363 2.547 ( 0.157 -5.730 3.078) 6.506 2.547 ( 0.157 5.730 3.078) 6.506 2.628 ( -0.145 -2.794 -1.216) 3.050 2.628 ( -0.145 2.794 -1.216) 3.050 2.793 ( 0.185 -2.382 1.542) 2.844 2.793 ( 0.185 2.382 1.542) 2.844 2.876 ( -2.052 -2.122 -2.443) 3.832 2.876 ( -2.052 2.122 -2.443) 3.832 3.126 ( -0.405 -4.701 3.052) 5.619 3.126 ( -0.405 4.701 3.052) 5.619 3.245 ( -1.495 -2.575 -0.287) 2.991 3.245 ( -1.495 2.575 -0.287) 2.991 3.275 ( -0.596 -1.950 1.287) 2.411 3.275 ( -0.596 1.950 1.287) 2.411 3.584 ( 3.227 -4.260 1.197) 5.477 3.584 ( 3.227 4.260 1.197) 5.477 3.619 ( 2.262 -4.861 -4.442) 6.963 3.619 ( 2.262 4.861 -4.442) 6.963 3.881 ( -4.138 -3.093 -0.496) 5.190 3.881 ( -4.138 3.093 -0.496) 5.190 4.082 ( 0.149 -5.195 -1.580) 5.432 4.082 ( 0.149 5.195 -1.580) 5.432 4.301 ( 2.519 -5.896 2.201) 6.778 4.301 ( 2.519 5.896 2.201) 6.778 4.478 ( 2.338 -5.784 -2.541) 6.736 4.478 ( 2.338 5.784 -2.541) 6.736 4.843 ( -0.086 -5.343 4.270) 6.840 4.843 ( -0.086 5.343 4.270) 6.840 5.002 ( -3.275 -1.669 -1.170) 3.857 5.002 ( -3.275 1.669 -1.170) 3.857 5.188 ( 0.932 -1.139 2.125) 2.585 5.188 ( 0.932 1.139 2.125) 2.585 5.517 ( -2.814 -3.916 3.055) 5.708 5.517 ( -2.814 3.916 3.055) 5.708 5.875 ( 0.722 -4.492 -0.640) 4.594 5.875 ( 0.722 4.492 -0.640) 4.594 6.037 ( 0.705 -0.848 -2.579) 2.805 6.037 ( 0.705 0.848 -2.579) 2.805 6.140 ( 0.547 -5.038 1.175) 5.202 6.140 ( 0.547 5.038 1.175) 5.202 6.332 ( 1.670 -1.846 -2.414) 3.468 6.332 ( 1.670 1.846 -2.414) 3.468 6.545 ( -0.015 -6.632 1.736) 6.856 6.545 ( -0.015 6.632 1.736) 6.856 6.668 ( 2.489 -4.546 -1.816) 5.491 6.668 ( 2.489 4.546 -1.816) 5.491 7.452 ( 0.120 -3.738 1.206) 3.930 7.452 ( 0.120 3.738 1.206) 3.930 7.527 ( 1.306 -4.235 1.256) 4.606 7.527 ( 1.306 4.235 1.256) 4.606 8.031 ( -1.473 -3.564 4.059) 5.599 8.031 ( -1.473 3.564 4.059) 5.599 8.197 ( -2.719 -1.864 -0.441) 3.326 8.197 ( -2.719 1.864 -0.441) 3.326 8.283 ( -5.461 -4.265 0.277) 6.935 8.283 ( -5.461 4.265 0.277) 6.935 8.391 ( -1.608 -1.848 -3.412) 4.200 8.391 ( -1.608 1.848 -3.412) 4.200 9.184 ( 2.370 -2.767 1.310) 3.871 9.184 ( 2.370 2.767 1.310) 3.871 9.214 ( -0.177 -4.065 -0.728) 4.133 9.214 ( -0.177 4.065 -0.728) 4.133 9.899 ( -0.176 -2.219 1.423) 2.642 9.899 ( -0.176 2.219 1.423) 2.642 10.074 ( -0.067 -3.453 0.052) 3.454 10.074 ( -0.067 3.453 0.052) 3.454 10.355 ( -1.116 -4.736 0.334) 4.877 10.355 ( -1.116 4.736 0.334) 4.877 10.481 ( 2.393 -5.116 -3.419) 6.602 10.481 ( 2.393 5.116 -3.419) 6.602 10.793 ( -0.901 -1.961 0.330) 2.184 10.793 ( -0.901 1.961 0.330) 2.184 10.959 ( 7.291 -2.834 -2.141) 8.110 10.959 ( 7.291 2.834 -2.141) 8.110 11.302 ( -3.460 -1.997 -0.901) 4.095 11.302 ( -3.460 1.997 -0.901) 4.095 11.339 ( -1.329 -2.329 2.141) 3.432 11.339 ( -1.329 2.329 2.141) 3.432 11.961 ( 2.535 -1.928 -0.422) 3.213 11.961 ( 2.535 1.928 -0.422) 3.213 12.106 ( 1.068 -4.261 -0.787) 4.462 12.106 ( 1.068 4.261 -0.787) 4.462 13.156 ( 1.839 -4.994 0.297) 5.330 13.156 ( 1.839 4.994 0.297) 5.330 13.393 ( -1.547 -3.232 -1.679) 3.957 13.393 ( -1.547 3.232 -1.679) 3.957 13.743 ( -5.972 -4.719 5.075) 9.148 13.743 ( -5.972 4.719 5.075) 9.148 13.940 ( 0.368 -3.474 -2.478) 4.283 13.940 ( 0.368 3.474 -2.478) 4.283 14.617 ( 1.735 -1.269 -0.859) 2.315 14.617 ( 1.735 1.269 -0.859) 2.315 14.736 ( -0.791 -1.808 0.989) 2.208 14.736 ( -0.791 1.808 0.989) 2.208 15.522 ( -0.311 -1.935 -0.775) 2.108 15.522 ( -0.311 1.935 -0.775) 2.108 15.698 ( 2.271 -2.828 -0.447) 3.655 15.698 ( 2.271 2.828 -0.447) 3.655 16.509 ( -1.352 -2.455 -1.434) 3.148 16.509 ( -1.352 2.455 -1.434) 3.148 16.592 ( -0.606 -1.829 0.280) 1.947 16.592 ( -0.606 1.829 0.280) 1.947 17.018 ( -2.124 -1.347 1.734) 3.055 17.018 ( -2.124 1.347 1.734) 3.055 17.117 ( -1.845 -2.619 -0.817) 3.306 17.117 ( -1.845 2.619 -0.817) 3.306 17.698 ( 3.294 -3.110 0.557) 4.564 17.698 ( 3.294 3.110 0.557) 4.564 17.760 ( 3.403 -3.967 -0.935) 5.310 17.760 ( 3.403 3.967 -0.935) 5.310 17.990 ( 6.555 -2.811 0.518) 7.151 17.990 ( 6.555 2.811 0.518) 7.151 18.087 ( 7.962 -4.173 0.317) 8.995 18.087 ( 7.962 4.173 0.317) 8.995 18.328 ( -7.127 -1.295 0.753) 7.283 18.328 ( -7.127 1.295 0.753) 7.283 18.370 ( -8.537 -2.758 -0.888) 9.016 18.370 ( -8.537 2.758 -0.888) 9.016 19.378 ( -0.090 -2.812 0.518) 2.861 19.378 ( -0.090 2.812 0.518) 2.861 19.490 ( 0.922 -4.097 -0.060) 4.200 19.490 ( 0.922 4.097 -0.060) 4.200 19.605 ( 0.116 -0.668 -0.073) 0.682 19.605 ( 0.116 0.668 -0.073) 0.682 19.771 ( 0.224 -0.891 -0.668) 1.136 19.771 ( 0.224 0.891 -0.668) 1.136 20.785 ( 1.478 -2.187 0.351) 2.663 20.785 ( 1.478 2.187 0.351) 2.663 20.875 ( 0.359 -1.753 0.209) 1.801 20.875 ( 0.359 1.753 0.209) 1.801 21.064 ( -0.639 -5.427 -0.713) 5.510 21.064 ( -0.639 5.427 -0.713) 5.510 21.370 ( 0.039 -5.341 0.191) 5.345 21.370 ( 0.039 5.341 0.191) 5.345 22.660 ( 0.948 -2.277 0.671) 2.556 22.660 ( 0.948 2.277 0.671) 2.556 22.742 ( 0.684 -2.325 -0.252) 2.437 22.742 ( 0.684 2.325 -0.252) 2.437 23.243 ( 0.727 -2.966 1.080) 3.239 23.243 ( 0.727 2.966 1.080) 3.239 23.329 ( 1.728 -0.637 -1.620) 2.452 23.329 ( 1.728 0.637 -1.620) 2.452 23.961 ( -3.647 -1.769 0.807) 4.133 23.961 ( -3.647 1.769 0.807) 4.133 24.099 ( -1.760 -1.192 -1.040) 2.366 24.099 ( -1.760 1.192 -1.040) 2.366 25.381 ( 1.312 -2.703 -1.071) 3.190 25.381 ( 1.312 2.703 -1.071) 3.190 25.477 ( 1.948 -2.023 1.454) 3.162 25.477 ( 1.948 2.023 1.454) 3.162 26.564 ( -0.816 -3.324 1.974) 3.951 26.564 ( -0.816 3.324 1.974) 3.951 26.775 ( -0.344 -6.358 -2.031) 6.683 26.775 ( -0.344 6.358 -2.031) 6.683 27.461 ( -1.217 -3.591 2.722) 4.667 27.461 ( -1.217 3.591 2.722) 4.667 27.618 ( -1.602 -2.109 -2.495) 3.638 27.618 ( -1.602 2.109 -2.495) 3.638 27.951 ( -0.142 -1.598 -1.953) 2.527 27.951 ( -0.142 1.598 -1.953) 2.527 28.140 ( -2.049 -2.657 2.428) 4.142 28.140 ( -2.049 2.657 2.428) 4.142 28.821 ( 2.087 -8.923 5.403) 10.638 28.821 ( 2.087 8.923 5.403) 10.638 29.554 ( 2.546 -2.521 -1.636) 3.939 29.554 ( 2.546 2.521 -1.636) 3.939 29.778 ( 7.500 -0.968 1.450) 7.700 29.778 ( 7.500 0.968 1.450) 7.700 30.114 ( -12.582 -3.749 -2.831) 13.430 30.114 ( -12.582 3.749 -2.831) 13.430 30.698 ( 4.552 -2.217 -5.979) 7.835 30.698 ( 4.552 2.217 -5.979) 7.835 31.029 ( -3.039 -2.220 1.744) 4.148 31.029 ( -3.039 2.220 1.744) 4.148 31.163 ( 1.003 -3.219 2.040) 3.941 31.163 ( 1.003 3.219 2.040) 3.941 31.460 ( 0.404 -1.316 -0.640) 1.518 31.460 ( 0.404 1.316 -0.640) 1.518 32.179 ( -0.366 -2.215 -0.251) 2.259 32.179 ( -0.366 2.215 -0.251) 2.259 32.302 ( 1.684 -1.776 0.548) 2.508 32.302 ( 1.684 1.776 0.548) 2.508 36.863 ( 0.512 -0.342 0.315) 0.692 36.863 ( 0.512 0.342 0.315) 0.692 37.381 ( 1.263 -2.982 -0.421) 3.266 37.381 ( 1.263 2.982 -0.421) 3.266 39.578 ( 0.028 -1.383 0.534) 1.483 39.578 ( 0.028 1.383 0.534) 1.483 40.759 ( -0.891 -1.142 -1.045) 1.786 40.759 ( -0.891 1.142 -1.045) 1.786 ======================= Grid point 71 (39/55) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 3.642 -2.212 -6.484) 7.759 1.492 ( 3.642 2.212 -6.484) 7.759 1.735 ( -1.496 -2.842 3.600) 4.824 1.735 ( -1.496 2.842 3.600) 4.824 1.944 ( -2.251 -3.030 -1.589) 4.096 1.944 ( -2.251 3.030 -1.589) 4.096 2.093 ( 0.899 -0.720 0.814) 1.410 2.093 ( 0.899 0.720 0.814) 1.410 2.244 ( -1.480 -2.910 0.616) 3.322 2.244 ( -1.480 2.910 0.616) 3.322 2.314 ( 3.022 -3.102 -1.172) 4.487 2.314 ( 3.022 3.102 -1.172) 4.487 2.493 ( 2.841 -3.518 2.404) 5.121 2.493 ( 2.841 3.518 2.404) 5.121 2.585 ( 2.375 -4.973 0.581) 5.542 2.585 ( 2.375 4.973 0.581) 5.542 2.635 ( 0.292 -2.385 1.148) 2.664 2.635 ( 0.292 2.385 1.148) 2.664 2.792 ( -0.617 -2.128 -0.839) 2.369 2.792 ( -0.617 2.128 -0.839) 2.369 2.830 ( -0.986 -1.660 -0.817) 2.096 2.830 ( -0.986 1.660 -0.817) 2.096 3.140 ( 0.174 -4.340 3.573) 5.624 3.140 ( 0.174 4.340 3.573) 5.624 3.205 ( -1.488 -3.555 -1.012) 3.984 3.205 ( -1.488 3.555 -1.012) 3.984 3.305 ( 2.320 -2.790 1.402) 3.890 3.305 ( 2.320 2.790 1.402) 3.890 3.597 ( -1.210 -7.445 -3.567) 8.344 3.597 ( -1.210 7.445 -3.567) 8.344 3.685 ( 2.971 -3.944 1.972) 5.317 3.685 ( 2.971 3.944 1.972) 5.317 3.802 ( -1.814 -2.260 -2.084) 3.569 3.802 ( -1.814 2.260 -2.084) 3.569 4.080 ( 0.861 -3.741 -1.169) 4.013 4.080 ( 0.861 3.741 -1.169) 4.013 4.369 ( 2.875 -5.388 1.048) 6.196 4.369 ( 2.875 5.388 1.048) 6.196 4.516 ( 0.825 -5.110 -2.102) 5.587 4.516 ( 0.825 5.110 -2.102) 5.587 4.844 ( -0.944 -6.136 4.354) 7.582 4.844 ( -0.944 6.136 4.354) 7.582 4.942 ( -2.048 -4.952 -0.610) 5.394 4.942 ( -2.048 4.952 -0.610) 5.394 5.216 ( 1.397 -3.021 1.894) 3.830 5.216 ( 1.397 3.021 1.894) 3.830 5.528 ( 2.274 -3.367 2.989) 5.045 5.528 ( 2.274 3.367 2.989) 5.045 5.832 ( -3.733 -5.183 0.028) 6.387 5.832 ( -3.733 5.183 0.028) 6.387 6.000 ( -2.309 -1.352 -3.446) 4.363 6.000 ( -2.309 1.352 -3.446) 4.363 6.172 ( 0.082 -4.193 2.602) 4.936 6.172 ( 0.082 4.193 2.602) 4.936 6.301 ( -2.860 -2.880 -3.787) 5.551 6.301 ( -2.860 2.880 -3.787) 5.551 6.546 ( -0.864 -6.847 1.795) 7.131 6.546 ( -0.864 6.847 1.795) 7.131 6.668 ( -1.420 -4.141 -1.842) 4.749 6.668 ( -1.420 4.141 -1.842) 4.749 7.426 ( -3.464 -4.887 1.179) 6.105 7.426 ( -3.464 4.887 1.179) 6.105 7.584 ( 3.473 -3.721 1.247) 5.240 7.584 ( 3.473 3.721 1.247) 5.240 8.031 ( -0.579 -2.719 4.433) 5.233 8.031 ( -0.579 2.719 4.433) 5.233 8.200 ( 2.920 -3.573 -0.769) 4.678 8.200 ( 2.920 3.573 -0.769) 4.678 8.263 ( 3.726 -5.908 -0.221) 6.989 8.263 ( 3.726 5.908 -0.221) 6.989 8.396 ( 4.010 -4.561 -2.930) 6.743 8.396 ( 4.010 4.561 -2.930) 6.743 9.153 ( -3.119 -4.009 0.631) 5.118 9.153 ( -3.119 4.009 0.631) 5.118 9.241 ( 0.272 -4.001 -0.054) 4.010 9.241 ( 0.272 4.001 -0.054) 4.010 9.889 ( -1.379 -3.661 1.251) 4.107 9.889 ( -1.379 3.661 1.251) 4.107 10.063 ( -0.595 -3.437 0.027) 3.489 10.063 ( -0.595 3.437 0.027) 3.489 10.360 ( 1.579 -2.201 0.349) 2.731 10.360 ( 1.579 2.201 0.349) 2.731 10.492 ( 0.770 -5.605 -2.996) 6.402 10.492 ( 0.770 5.605 -2.996) 6.402 10.798 ( -1.026 -2.748 -0.051) 2.934 10.798 ( -1.026 2.748 -0.051) 2.934 11.024 ( -0.770 -4.495 -2.452) 5.178 11.024 ( -0.770 4.495 -2.452) 5.178 11.229 ( -0.376 -3.610 0.223) 3.636 11.229 ( -0.376 3.610 0.223) 3.636 11.341 ( -0.397 -2.250 1.355) 2.656 11.341 ( -0.397 2.250 1.355) 2.656 11.938 ( -2.861 -6.335 -0.131) 6.952 11.938 ( -2.861 6.335 -0.131) 6.952 12.132 ( 0.522 -2.333 -0.927) 2.564 12.132 ( 0.522 2.333 -0.927) 2.564 13.184 ( 0.317 -4.416 -0.096) 4.428 13.184 ( 0.317 4.416 -0.096) 4.428 13.411 ( 2.925 -4.633 -1.956) 5.817 13.411 ( 2.925 4.633 -1.956) 5.817 13.654 ( -1.858 -1.103 4.423) 4.922 13.654 ( -1.858 1.103 4.423) 4.922 13.994 ( 3.978 -1.750 -1.176) 4.502 13.994 ( 3.978 1.750 -1.176) 4.502 14.630 ( 0.263 -2.069 -0.999) 2.312 14.630 ( 0.263 2.069 -0.999) 2.312 14.731 ( -0.417 -1.708 1.127) 2.089 14.731 ( -0.417 1.708 1.127) 2.089 15.483 ( -3.127 -0.708 -0.780) 3.299 15.483 ( -3.127 0.708 -0.780) 3.299 15.726 ( 0.911 -3.098 -0.458) 3.262 15.726 ( 0.911 3.098 -0.458) 3.262 16.496 ( 0.868 -1.458 -1.277) 2.124 16.496 ( 0.868 1.458 -1.277) 2.124 16.600 ( 1.141 -0.974 0.144) 1.508 16.600 ( 1.141 0.974 0.144) 1.508 17.035 ( 2.631 -1.163 2.137) 3.584 17.035 ( 2.631 1.163 2.137) 3.584 17.108 ( 1.669 -2.794 -1.238) 3.482 17.108 ( 1.669 2.794 -1.238) 3.482 17.708 ( -2.745 -1.897 0.850) 3.443 17.708 ( -2.745 1.897 0.850) 3.443 17.749 ( -3.559 -2.366 -1.261) 4.456 17.749 ( -3.559 2.366 -1.261) 4.456 18.018 ( -6.058 -3.716 1.011) 7.178 18.018 ( -6.058 3.716 1.011) 7.178 18.074 ( -8.654 -2.541 -0.139) 9.020 18.074 ( -8.654 2.541 -0.139) 9.020 18.301 ( 6.174 -2.931 0.336) 6.842 18.301 ( 6.174 2.931 0.336) 6.842 18.376 ( 8.528 -5.350 -0.475) 10.079 18.376 ( 8.528 5.350 -0.475) 10.079 19.374 ( -0.233 -1.960 0.333) 2.001 19.374 ( -0.233 1.960 0.333) 2.001 19.489 ( -1.040 -2.912 0.254) 3.103 19.489 ( -1.040 2.912 0.254) 3.103 19.597 ( -0.880 -1.342 -0.227) 1.621 19.597 ( -0.880 1.342 -0.227) 1.621 19.784 ( 1.231 -0.762 -0.642) 1.584 19.784 ( 1.231 0.762 -0.642) 1.584 20.796 ( -1.003 -2.546 0.411) 2.767 20.796 ( -1.003 2.546 0.411) 2.767 20.862 ( -1.229 -0.899 0.148) 1.530 20.862 ( -1.229 0.899 0.148) 1.530 21.058 ( 0.421 -3.897 -0.702) 3.982 21.058 ( 0.421 3.897 -0.702) 3.982 21.372 ( 0.071 -4.790 0.180) 4.794 21.372 ( 0.071 4.790 0.180) 4.794 22.669 ( -0.516 -2.337 0.782) 2.518 22.669 ( -0.516 2.337 0.782) 2.518 22.736 ( -0.973 -2.285 -0.364) 2.510 22.736 ( -0.973 2.285 -0.364) 2.510 23.250 ( -0.753 -2.310 1.279) 2.746 23.250 ( -0.753 2.310 1.279) 2.746 23.328 ( -0.997 -0.764 -1.830) 2.219 23.328 ( -0.997 0.764 -1.830) 2.219 23.950 ( 2.299 -1.349 0.717) 2.760 23.950 ( 2.299 1.349 0.717) 2.760 24.105 ( 2.755 -1.165 -0.937) 3.135 24.105 ( 2.755 1.165 -0.937) 3.135 25.372 ( -1.524 -0.634 -0.840) 1.852 25.372 ( -1.524 0.634 -0.840) 1.852 25.491 ( -1.477 -1.887 1.223) 2.690 25.491 ( -1.477 1.887 1.223) 2.690 26.572 ( 0.563 -5.307 2.209) 5.776 26.572 ( 0.563 5.307 2.209) 5.776 26.759 ( -0.095 -6.096 -2.258) 6.501 26.759 ( -0.095 6.096 -2.258) 6.501 27.466 ( 0.300 -2.331 2.881) 3.718 27.466 ( 0.300 2.331 2.881) 3.718 27.611 ( 2.249 -4.164 -2.649) 5.424 27.611 ( 2.249 4.164 -2.649) 5.424 27.962 ( 2.069 -1.662 -2.246) 3.477 27.962 ( 2.069 1.662 -2.246) 3.477 28.129 ( -0.099 -3.359 2.737) 4.334 28.129 ( -0.099 3.359 2.737) 4.334 28.822 ( -4.516 -4.811 5.244) 8.428 28.822 ( -4.516 4.811 5.244) 8.428 29.561 ( -1.853 -0.969 -1.020) 2.327 29.561 ( -1.853 0.969 -1.020) 2.327 29.868 ( -9.516 -1.687 5.404) 11.073 29.868 ( -9.516 1.687 5.404) 11.073 29.976 ( 11.313 -3.725 -7.568) 14.111 29.976 ( 11.313 3.725 -7.568) 14.111 30.768 ( 5.489 -2.456 -7.253) 9.421 30.768 ( 5.489 2.456 -7.253) 9.421 30.972 ( -3.754 -3.367 3.571) 6.179 30.972 ( -3.754 3.367 3.571) 6.179 31.207 ( 2.537 -1.655 1.904) 3.578 31.207 ( 2.537 1.655 1.904) 3.578 31.449 ( -1.368 -0.899 -0.724) 1.790 31.449 ( -1.368 0.899 -0.724) 1.790 32.150 ( -1.944 -1.874 -0.183) 2.707 32.150 ( -1.944 1.874 -0.183) 2.707 32.337 ( 1.061 -3.029 0.442) 3.240 32.337 ( 1.061 3.029 0.442) 3.240 36.864 ( -0.501 -0.294 0.320) 0.663 36.864 ( -0.501 0.294 0.320) 0.663 37.377 ( -1.392 -2.193 -0.425) 2.631 37.377 ( -1.392 2.193 -0.425) 2.631 39.581 ( -0.076 -1.516 0.538) 1.610 39.581 ( -0.076 1.516 0.538) 1.610 40.756 ( 1.175 -1.241 -1.051) 2.006 40.756 ( 1.175 1.241 -1.051) 2.006 ======================= Grid point 73 (40/55) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 1.319 -4.036 -5.455) 6.913 1.509 ( 1.319 4.036 -5.455) 6.913 1.774 ( 2.586 -1.517 6.202) 6.888 1.774 ( 2.586 1.517 6.202) 6.888 1.900 ( -0.930 -4.115 -0.532) 4.253 1.900 ( -0.930 4.115 -0.532) 4.253 2.149 ( 2.513 -3.810 0.454) 4.586 2.149 ( 2.513 3.810 0.454) 4.586 2.206 ( -2.683 -6.242 1.485) 6.955 2.206 ( -2.683 6.242 1.485) 6.955 2.347 ( 1.148 -5.565 -1.752) 5.946 2.347 ( 1.148 5.565 -1.752) 5.946 2.544 ( -0.069 -5.374 0.669) 5.416 2.544 ( -0.069 5.374 0.669) 5.416 2.624 ( 1.779 -3.192 -0.601) 3.703 2.624 ( 1.779 3.192 -0.601) 3.703 2.683 ( 3.947 -3.787 -0.278) 5.477 2.683 ( 3.947 3.787 -0.278) 5.477 2.764 ( -0.707 -1.395 -2.201) 2.700 2.764 ( -0.707 1.395 -2.201) 2.700 2.830 ( -0.109 -2.137 2.785) 3.512 2.830 ( -0.109 2.137 2.785) 3.512 3.119 ( -2.076 -2.434 0.383) 3.222 3.119 ( -2.076 2.434 0.383) 3.222 3.223 ( 1.723 -3.133 1.141) 3.753 3.223 ( 1.723 3.133 1.141) 3.753 3.367 ( 3.211 -3.720 0.973) 5.010 3.367 ( 3.211 3.720 0.973) 5.010 3.528 ( -3.561 -7.457 -2.670) 8.684 3.528 ( -3.561 7.457 -2.670) 8.684 3.655 ( -2.211 -0.325 -5.393) 5.837 3.655 ( -2.211 0.325 -5.393) 5.837 3.876 ( 5.487 -2.327 4.711) 7.597 3.876 ( 5.487 2.327 4.711) 7.597 4.119 ( 2.947 -2.859 0.695) 4.165 4.119 ( 2.947 2.859 0.695) 4.165 4.379 ( -3.396 -2.562 -2.985) 5.197 4.379 ( -3.396 2.562 -2.985) 5.197 4.457 ( -1.784 -7.260 -3.794) 8.384 4.457 ( -1.784 7.260 -3.794) 8.384 4.828 ( -1.018 -4.323 1.823) 4.801 4.828 ( -1.018 4.323 1.823) 4.801 5.035 ( 8.737 -2.480 2.390) 9.391 5.035 ( 8.737 2.480 2.390) 9.391 5.241 ( 0.090 -1.762 -0.384) 1.806 5.241 ( 0.090 1.762 -0.384) 1.806 5.579 ( -0.048 -0.831 3.536) 3.632 5.579 ( -0.048 0.831 3.536) 3.632 5.776 ( -1.903 -6.965 3.068) 7.845 5.776 ( -1.903 6.965 3.068) 7.845 5.957 ( 0.155 -2.312 -2.444) 3.368 5.957 ( 0.155 2.312 -2.444) 3.368 6.121 ( -5.029 -2.519 0.397) 5.639 6.121 ( -5.029 2.519 0.397) 5.639 6.248 ( -1.290 -3.254 0.149) 3.503 6.248 ( -1.290 3.254 0.149) 3.503 6.490 ( -4.226 -7.146 -0.303) 8.307 6.490 ( -4.226 7.146 -0.303) 8.307 6.615 ( -3.371 -5.233 -0.248) 6.229 6.615 ( -3.371 5.233 -0.248) 6.229 7.376 ( -1.350 -4.535 2.670) 5.433 7.376 ( -1.350 4.535 2.670) 5.433 7.663 ( 3.663 -2.750 -1.735) 4.898 7.663 ( 3.663 2.750 -1.735) 4.898 8.044 ( -0.236 -2.845 3.836) 4.781 8.044 ( -0.236 2.845 3.836) 4.781 8.210 ( -1.295 -5.071 -1.226) 5.375 8.210 ( -1.295 5.071 -1.226) 5.375 8.388 ( 6.407 -3.356 0.794) 7.277 8.388 ( 6.407 3.356 0.794) 7.277 8.520 ( 7.612 -2.904 -2.028) 8.395 8.520 ( 7.612 2.904 -2.028) 8.395 9.118 ( -0.715 -2.154 0.953) 2.462 9.118 ( -0.715 2.154 0.953) 2.462 9.212 ( -1.813 -5.789 -0.676) 6.104 9.212 ( -1.813 5.789 -0.676) 6.104 9.876 ( -0.038 -4.875 0.397) 4.891 9.876 ( -0.038 4.875 0.397) 4.891 10.068 ( 1.003 -2.411 0.499) 2.658 10.068 ( 1.003 2.411 0.499) 2.658 10.407 ( 1.630 -1.747 -0.200) 2.397 10.407 ( 1.630 1.747 -0.200) 2.397 10.496 ( 1.279 -7.070 -0.046) 7.185 10.496 ( 1.279 7.070 -0.046) 7.185 10.720 ( -4.649 -2.211 -2.220) 5.606 10.720 ( -4.649 2.211 -2.220) 5.606 10.951 ( -3.826 -4.271 -3.457) 6.695 10.951 ( -3.826 4.271 -3.457) 6.695 11.271 ( 0.118 -0.658 -0.320) 0.742 11.271 ( 0.118 0.658 -0.320) 0.742 11.313 ( -0.486 -2.829 1.906) 3.446 11.313 ( -0.486 2.829 1.906) 3.446 11.911 ( -0.408 -6.951 1.916) 7.222 11.911 ( -0.408 6.951 1.916) 7.222 12.101 ( -2.484 -6.238 -1.287) 6.837 12.101 ( -2.484 6.238 -1.287) 6.837 13.169 ( -2.207 -2.198 1.749) 3.572 13.169 ( -2.207 2.198 1.749) 3.572 13.381 ( -2.426 -0.798 -2.841) 3.820 13.381 ( -2.426 0.798 -2.841) 3.820 13.798 ( 11.936 -7.202 -0.752) 13.961 13.798 ( 11.936 7.202 -0.752) 13.961 14.086 ( 5.439 -5.606 1.416) 7.938 14.086 ( 5.439 5.606 1.416) 7.938 14.612 ( -1.885 -2.511 -0.084) 3.141 14.612 ( -1.885 2.511 -0.084) 3.141 14.704 ( -3.212 -1.443 0.516) 3.559 14.704 ( -3.212 1.443 0.516) 3.559 15.415 ( -3.046 -0.699 1.768) 3.591 15.415 ( -3.046 0.699 1.768) 3.591 15.718 ( -1.229 -2.069 -2.931) 3.792 15.718 ( -1.229 2.069 -2.931) 3.792 16.534 ( 3.229 -2.402 -0.571) 4.065 16.534 ( 3.229 2.402 -0.571) 4.065 16.629 ( 1.315 -2.629 0.040) 2.940 16.629 ( 1.315 2.629 0.040) 2.940 17.122 ( 5.047 -3.877 0.935) 6.432 17.122 ( 5.047 3.877 0.935) 6.432 17.181 ( 5.915 -3.958 -0.457) 7.131 17.181 ( 5.915 3.958 -0.457) 7.131 17.591 ( -9.112 -5.606 0.606) 10.715 17.591 ( -9.112 5.606 0.606) 10.715 17.628 ( -7.259 -4.655 -0.992) 8.680 17.628 ( -7.259 4.655 -0.992) 8.680 17.889 ( -5.016 -0.952 -0.492) 5.129 17.889 ( -5.016 0.952 -0.492) 5.129 17.921 ( -5.788 -3.007 0.797) 6.571 17.921 ( -5.788 3.007 0.797) 6.571 18.451 ( 6.727 -4.974 1.099) 8.438 18.451 ( 6.727 4.974 1.099) 8.438 18.533 ( 6.334 -6.901 -0.373) 9.375 18.533 ( 6.334 6.901 -0.373) 9.375 19.374 ( -0.329 -1.925 1.350) 2.374 19.374 ( -0.329 1.925 1.350) 2.374 19.459 ( -1.495 -2.220 -0.987) 2.853 19.459 ( -1.495 2.220 -0.987) 2.853 19.577 ( -0.741 -1.423 0.237) 1.622 19.577 ( -0.741 1.423 0.237) 1.622 19.802 ( 0.664 -1.620 -0.912) 1.975 19.802 ( 0.664 1.620 -0.912) 1.975 20.759 ( -1.889 -2.273 -0.577) 3.011 20.759 ( -1.889 2.273 -0.577) 3.011 20.843 ( -1.072 -1.837 1.229) 2.456 20.843 ( -1.072 1.837 1.229) 2.456 21.067 ( 0.662 -2.261 -0.410) 2.392 21.067 ( 0.662 2.261 -0.410) 2.392 21.373 ( -0.130 -4.395 0.111) 4.398 21.373 ( -0.130 4.395 0.111) 4.398 22.649 ( -1.410 -1.228 -0.043) 1.870 22.649 ( -1.410 1.228 -0.043) 1.870 22.711 ( -1.274 -2.148 0.164) 2.503 22.711 ( -1.274 2.148 0.164) 2.503 23.234 ( -1.088 -2.869 0.949) 3.212 23.234 ( -1.088 2.869 0.949) 3.212 23.293 ( -1.139 -1.720 -1.638) 2.634 23.293 ( -1.139 1.720 -1.638) 2.634 24.027 ( 3.873 -4.244 1.207) 5.871 24.027 ( 3.873 4.244 1.207) 5.871 24.173 ( 3.762 -2.152 -1.299) 4.524 24.173 ( 3.762 2.152 -1.299) 4.524 25.330 ( -2.144 -0.566 0.502) 2.273 25.330 ( -2.144 0.566 0.502) 2.273 25.442 ( -2.975 -2.538 -0.193) 3.916 25.442 ( -2.975 2.538 -0.193) 3.916 26.595 ( 0.352 -6.202 2.000) 6.526 26.595 ( 0.352 6.202 2.000) 6.526 26.756 ( 0.862 -5.658 -1.634) 5.952 26.756 ( 0.862 5.658 -1.634) 5.952 27.493 ( 0.767 -2.160 2.675) 3.523 27.493 ( 0.767 2.160 2.675) 3.523 27.652 ( 2.393 -5.182 -3.290) 6.588 27.652 ( 2.393 5.182 -3.290) 6.588 28.027 ( 5.812 -3.194 -2.148) 6.971 28.027 ( 5.812 3.194 -2.148) 6.971 28.151 ( 0.286 -3.870 3.410) 5.166 28.151 ( 0.286 3.870 3.410) 5.166 28.712 ( -7.862 -0.940 3.814) 8.788 28.712 ( -7.862 0.940 3.814) 8.788 29.475 ( -4.120 -1.620 -2.961) 5.326 29.475 ( -4.120 1.620 -2.961) 5.326 29.769 ( -5.189 -2.237 10.158) 11.624 29.769 ( -5.189 2.237 10.158) 11.624 30.162 ( 11.170 -5.748 -11.234) 16.853 30.162 ( 11.170 5.748 -11.234) 16.853 30.823 ( 0.994 -3.919 -2.527) 4.768 30.823 ( 0.994 3.919 -2.527) 4.768 30.942 ( 0.578 -4.911 2.574) 5.574 30.942 ( 0.578 4.911 2.574) 5.574 31.264 ( 1.868 -2.464 -0.810) 3.196 31.264 ( 1.868 2.464 -0.810) 3.196 31.404 ( -2.210 -3.218 0.216) 3.910 31.404 ( -2.210 3.218 0.216) 3.910 32.115 ( -1.627 -2.832 1.531) 3.607 32.115 ( -1.627 2.832 1.531) 3.607 32.340 ( -0.388 -3.976 -1.721) 4.350 32.340 ( -0.388 3.976 -1.721) 4.350 36.850 ( -0.908 -0.246 0.238) 0.970 36.850 ( -0.908 0.246 0.238) 0.970 37.336 ( -2.098 -1.060 -0.163) 2.356 37.336 ( -2.098 1.060 -0.163) 2.356 39.580 ( -0.217 -1.439 0.418) 1.514 39.580 ( -0.217 1.439 0.418) 1.514 40.786 ( 1.967 -2.986 -0.997) 3.712 40.786 ( 1.967 2.986 -0.997) 3.712 ======================= Grid point 90 (41/55) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -1.660 0.000 -4.236) 4.550 0.804 ( 1.660 0.000 4.236) 4.550 0.974 ( 1.571 0.000 -7.729) 7.887 0.974 ( -1.571 0.000 7.729) 7.887 1.518 ( 4.523 0.000 -22.455) 22.906 1.518 ( -4.523 0.000 22.455) 22.906 1.724 ( 1.576 0.000 -5.136) 5.372 1.724 ( -1.576 0.000 5.136) 5.372 2.108 ( 0.580 0.000 -0.458) 0.739 2.108 ( -0.580 0.000 0.458) 0.739 2.218 ( -1.510 0.000 -2.162) 2.638 2.218 ( 1.510 0.000 2.162) 2.638 2.558 ( 1.395 0.000 -4.677) 4.880 2.558 ( -1.395 0.000 4.677) 4.880 2.641 ( -2.194 0.000 0.213) 2.204 2.641 ( 2.194 0.000 -0.213) 2.204 2.681 ( -0.721 0.000 -1.673) 1.822 2.681 ( 0.721 0.000 1.673) 1.822 2.749 ( -0.326 0.000 -1.012) 1.063 2.749 ( 0.326 0.000 1.012) 1.063 2.864 ( -2.288 0.000 -1.063) 2.523 2.864 ( 2.288 0.000 1.063) 2.523 3.005 ( 0.207 0.000 -2.436) 2.445 3.005 ( -0.207 0.000 2.436) 2.445 3.070 ( -2.192 0.000 -0.250) 2.206 3.070 ( 2.192 0.000 0.250) 2.206 3.245 ( -2.696 0.000 -2.417) 3.621 3.245 ( 2.696 0.000 2.417) 3.621 3.413 ( 1.907 0.000 -1.976) 2.746 3.413 ( -1.907 0.000 1.976) 2.746 3.564 ( -6.750 0.000 2.206) 7.102 3.564 ( 6.750 0.000 -2.206) 7.102 3.985 ( -1.990 0.000 -2.264) 3.014 3.985 ( 1.990 0.000 2.264) 3.014 4.032 ( 2.516 0.000 -1.702) 3.038 4.032 ( -2.516 0.000 1.702) 3.038 4.187 ( 1.234 0.000 -7.024) 7.131 4.187 ( -1.234 0.000 7.024) 7.131 4.356 ( 6.290 0.000 -4.602) 7.794 4.356 ( -6.290 0.000 4.602) 7.794 4.649 ( -8.683 0.000 2.698) 9.093 4.649 ( 8.683 0.000 -2.698) 9.093 4.863 ( -0.021 0.000 -2.561) 2.561 4.863 ( 0.021 0.000 2.561) 2.561 5.054 ( 6.774 0.000 -6.088) 9.107 5.054 ( -6.774 0.000 6.088) 9.107 5.568 ( -0.225 0.000 -5.914) 5.918 5.568 ( 0.225 0.000 5.914) 5.918 5.749 ( -4.720 0.000 -0.917) 4.808 5.749 ( 4.720 0.000 0.917) 4.808 5.840 ( -11.690 0.000 2.014) 11.862 5.840 ( 11.690 0.000 -2.014) 11.862 6.082 ( 8.040 0.000 -5.578) 9.785 6.082 ( -8.040 0.000 5.578) 9.785 6.423 ( -21.514 0.000 -6.916) 22.598 6.423 ( 21.514 0.000 6.916) 22.598 6.660 ( 1.155 0.000 -2.999) 3.214 6.660 ( -1.155 0.000 2.999) 3.214 7.153 ( -3.019 0.000 -1.128) 3.223 7.153 ( 3.019 0.000 1.128) 3.223 7.462 ( 2.615 0.000 -3.426) 4.310 7.462 ( -2.615 0.000 3.426) 4.310 7.941 ( 2.666 0.000 -2.353) 3.556 7.941 ( -2.666 0.000 2.353) 3.556 8.039 ( 4.541 0.000 -2.446) 5.158 8.039 ( -4.541 0.000 2.446) 5.158 8.266 ( -0.375 0.000 -4.214) 4.231 8.266 ( 0.375 0.000 4.214) 4.231 8.459 ( 6.273 0.000 -2.327) 6.690 8.459 ( -6.273 0.000 2.327) 6.690 8.531 ( 10.025 0.000 -3.448) 10.602 8.531 ( -10.025 0.000 3.448) 10.602 8.937 ( -1.939 0.000 0.498) 2.002 8.937 ( 1.939 0.000 -0.498) 2.002 9.425 ( -2.945 0.000 0.701) 3.027 9.425 ( 2.945 0.000 -0.701) 3.027 9.673 ( -9.641 0.000 2.446) 9.946 9.673 ( 9.641 0.000 -2.446) 9.946 10.107 ( 0.037 0.000 -3.521) 3.521 10.107 ( -0.037 0.000 3.521) 3.521 10.350 ( -6.699 0.000 1.278) 6.820 10.350 ( 6.699 0.000 -1.278) 6.820 10.480 ( -1.532 0.000 -2.824) 3.213 10.480 ( 1.532 0.000 2.824) 3.213 10.741 ( 4.063 0.000 -2.968) 5.032 10.741 ( -4.063 0.000 2.968) 5.032 11.136 ( 0.948 0.000 -6.193) 6.265 11.136 ( -0.948 0.000 6.193) 6.265 11.296 ( -0.320 0.000 -11.400) 11.404 11.296 ( 0.320 0.000 11.400) 11.404 11.494 ( 1.765 0.000 -6.583) 6.816 11.494 ( -1.765 0.000 6.583) 6.816 11.586 ( 2.027 0.000 -4.048) 4.527 11.586 ( -2.027 0.000 4.048) 4.527 12.354 ( 0.295 0.000 -0.278) 0.406 12.354 ( -0.295 0.000 0.278) 0.406 13.119 ( -1.596 0.000 -0.409) 1.648 13.119 ( 1.596 0.000 0.409) 1.648 13.488 ( 0.675 0.000 -7.139) 7.171 13.488 ( -0.675 0.000 7.139) 7.171 13.834 ( -5.605 0.000 -4.934) 7.467 13.834 ( 5.605 0.000 4.934) 7.467 14.261 ( -11.116 0.000 -3.086) 11.537 14.261 ( 11.116 0.000 3.086) 11.537 14.641 ( 1.061 0.000 -2.477) 2.695 14.641 ( -1.061 0.000 2.477) 2.695 14.891 ( 1.127 0.000 -5.097) 5.220 14.891 ( -1.127 0.000 5.097) 5.220 15.365 ( 3.675 0.000 -5.222) 6.385 15.365 ( -3.675 0.000 5.222) 6.385 15.554 ( -0.490 0.000 -5.700) 5.722 15.554 ( 0.490 0.000 5.700) 5.722 16.450 ( 2.458 0.000 -5.045) 5.612 16.450 ( -2.458 0.000 5.045) 5.612 16.952 ( -0.585 0.000 -0.903) 1.076 16.952 ( 0.585 0.000 0.903) 1.076 17.027 ( -1.873 0.000 -1.368) 2.320 17.027 ( 1.873 0.000 1.368) 2.320 17.206 ( -0.959 0.000 -2.971) 3.122 17.206 ( 0.959 0.000 2.971) 3.122 17.646 ( 0.312 0.000 -0.361) 0.477 17.646 ( -0.312 0.000 0.361) 0.477 17.696 ( -1.034 0.000 -1.259) 1.629 17.696 ( 1.034 0.000 1.259) 1.629 17.864 ( -4.266 0.000 -0.813) 4.342 17.864 ( 4.266 0.000 0.813) 4.342 18.006 ( 6.484 0.000 -2.322) 6.888 18.006 ( -6.484 0.000 2.322) 6.888 18.279 ( 1.193 0.000 -1.457) 1.883 18.279 ( -1.193 0.000 1.457) 1.883 18.743 ( 2.398 0.000 -1.962) 3.098 18.743 ( -2.398 0.000 1.962) 3.098 19.132 ( -3.773 0.000 -1.754) 4.161 19.132 ( 3.773 0.000 1.754) 4.161 19.429 ( -4.673 0.000 1.266) 4.841 19.429 ( 4.673 0.000 -1.266) 4.841 19.649 ( -0.432 0.000 -1.367) 1.434 19.649 ( 0.432 0.000 1.367) 1.434 19.905 ( -3.805 0.000 0.730) 3.874 19.905 ( 3.805 0.000 -0.730) 3.874 20.536 ( 1.876 0.000 -8.778) 8.977 20.536 ( -1.876 0.000 8.778) 8.977 20.878 ( -2.301 0.000 -1.441) 2.715 20.878 ( 2.301 0.000 1.441) 2.715 21.297 ( 1.634 0.000 -1.723) 2.375 21.297 ( -1.634 0.000 1.723) 2.375 21.760 ( 1.717 0.000 -1.962) 2.607 21.760 ( -1.717 0.000 1.962) 2.607 22.736 ( 1.745 0.000 -1.334) 2.196 22.736 ( -1.745 0.000 1.334) 2.196 22.859 ( 0.095 0.000 -0.689) 0.695 22.859 ( -0.095 0.000 0.689) 0.695 23.316 ( 0.419 0.000 -0.603) 0.734 23.316 ( -0.419 0.000 0.603) 0.734 23.326 ( -5.263 0.000 -1.027) 5.363 23.326 ( 5.263 0.000 1.027) 5.363 23.961 ( -1.614 0.000 -4.167) 4.469 23.961 ( 1.614 0.000 4.167) 4.469 24.711 ( -13.628 0.000 1.018) 13.666 24.711 ( 13.628 0.000 -1.018) 13.666 25.129 ( 2.918 0.000 -2.241) 3.680 25.129 ( -2.918 0.000 2.241) 3.680 25.463 ( -4.118 0.000 -3.944) 5.702 25.463 ( 4.118 0.000 3.944) 5.702 26.315 ( -1.380 0.000 -0.229) 1.399 26.315 ( 1.380 0.000 0.229) 1.399 26.700 ( 3.928 0.000 -1.971) 4.395 26.700 ( -3.928 0.000 1.971) 4.395 27.279 ( -0.499 0.000 -1.877) 1.942 27.279 ( 0.499 0.000 1.877) 1.942 27.731 ( -1.270 0.000 -1.332) 1.840 27.731 ( 1.270 0.000 1.332) 1.840 27.911 ( -0.976 0.000 -1.744) 1.999 27.911 ( 0.976 0.000 1.744) 1.999 28.187 ( 1.772 0.000 -7.334) 7.545 28.187 ( -1.772 0.000 7.334) 7.545 28.449 ( 4.005 0.000 -3.043) 5.030 28.449 ( -4.005 0.000 3.043) 5.030 28.801 ( -0.925 0.000 -7.225) 7.284 28.801 ( 0.925 0.000 7.225) 7.284 29.303 ( -4.591 0.000 -2.555) 5.254 29.303 ( 4.591 0.000 2.555) 5.254 30.264 ( 3.864 0.000 -7.483) 8.422 30.264 ( -3.864 0.000 7.483) 8.422 30.439 ( -0.093 0.000 -3.992) 3.993 30.439 ( 0.093 0.000 3.992) 3.993 30.707 ( -1.698 0.000 -2.895) 3.356 30.707 ( 1.698 0.000 2.895) 3.356 31.401 ( 0.530 0.000 -8.174) 8.191 31.401 ( -0.530 0.000 8.174) 8.191 31.986 ( 11.262 0.000 -4.770) 12.231 31.986 ( -11.262 0.000 4.770) 12.231 32.174 ( -19.529 0.000 -0.222) 19.531 32.174 ( 19.529 0.000 0.222) 19.531 32.460 ( 0.818 0.000 -1.521) 1.727 32.460 ( -0.818 0.000 1.521) 1.727 36.912 ( 0.310 0.000 -0.899) 0.951 36.912 ( -0.310 0.000 0.899) 0.951 37.388 ( 1.184 0.000 -1.858) 2.204 37.388 ( -1.184 0.000 1.858) 2.204 39.439 ( 1.160 0.000 -5.174) 5.303 39.439 ( -1.160 0.000 5.174) 5.303 40.335 ( 12.125 0.000 -7.476) 14.244 40.335 ( -12.125 0.000 7.476) 14.244 ======================= Grid point 92 (42/55) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 18.328 0.000 -15.301) 23.875 1.000 ( 11.963 0.000 -0.930) 11.999 1.116 ( 6.399 0.000 22.165) 23.071 1.137 ( 14.418 0.000 -0.744) 14.437 1.652 ( -7.472 0.000 0.911) 7.527 1.661 ( 6.209 0.000 -14.738) 15.993 1.777 ( 17.350 0.000 9.895) 19.973 1.788 ( 17.888 0.000 -6.245) 18.947 2.023 ( -11.273 0.000 2.363) 11.518 2.057 ( -5.053 0.000 0.591) 5.087 2.211 ( 4.246 0.000 -7.291) 8.437 2.272 ( 3.268 0.000 1.842) 3.752 2.451 ( -7.725 0.000 0.712) 7.757 2.541 ( -5.081 0.000 4.097) 6.527 2.570 ( -3.819 0.000 5.088) 6.362 2.586 ( -1.176 0.000 -4.564) 4.713 2.612 ( -2.809 0.000 2.698) 3.895 2.711 ( 3.214 0.000 1.355) 3.488 2.770 ( -1.226 0.000 -1.160) 1.688 2.788 ( 1.887 0.000 -4.734) 5.096 2.863 ( 0.523 0.000 0.628) 0.817 2.876 ( -3.161 0.000 -0.448) 3.192 3.001 ( -2.135 0.000 0.713) 2.251 3.010 ( -2.015 0.000 0.237) 2.028 3.032 ( 3.757 0.000 -1.035) 3.897 3.093 ( 1.201 0.000 -2.246) 2.547 3.199 ( -0.490 0.000 2.099) 2.156 3.293 ( 0.522 0.000 1.597) 1.680 3.449 ( 2.631 0.000 2.315) 3.505 3.487 ( 3.952 0.000 -3.184) 5.075 3.504 ( -1.137 0.000 5.460) 5.577 3.717 ( 7.305 0.000 -0.879) 7.358 3.876 ( -5.381 0.000 -4.390) 6.944 3.998 ( -1.202 0.000 1.317) 1.783 4.013 ( -0.087 0.000 3.977) 3.978 4.075 ( 2.906 0.000 -2.750) 4.001 4.197 ( -0.831 0.000 6.069) 6.125 4.203 ( 2.964 0.000 -3.878) 4.881 4.262 ( -4.366 0.000 -1.835) 4.736 4.450 ( 5.063 0.000 -5.129) 7.207 4.456 ( -7.797 0.000 1.838) 8.011 4.662 ( -4.269 0.000 -6.291) 7.603 4.853 ( -3.141 0.000 2.310) 3.899 4.855 ( -6.266 0.000 2.792) 6.860 4.919 ( -3.747 0.000 -0.060) 3.748 5.119 ( 3.077 0.000 -7.292) 7.914 5.484 ( -4.909 0.000 2.730) 5.617 5.547 ( -4.564 0.000 5.553) 7.188 5.648 ( -2.745 0.000 1.015) 2.927 5.760 ( 1.547 0.000 2.053) 2.571 5.861 ( 5.353 0.000 1.447) 5.545 5.952 ( -12.123 0.000 -12.153) 17.166 6.030 ( -1.672 0.000 6.181) 6.403 6.042 ( 5.302 0.000 -6.526) 8.408 6.248 ( 5.264 0.000 3.534) 6.340 6.645 ( -3.340 0.000 2.628) 4.250 6.648 ( -0.444 0.000 1.432) 1.499 6.726 ( 2.163 0.000 -5.775) 6.167 7.122 ( 3.465 0.000 0.270) 3.475 7.222 ( 4.532 0.000 1.593) 4.804 7.372 ( -6.509 0.000 0.275) 6.515 7.478 ( 1.335 0.000 -4.174) 4.383 7.834 ( -6.963 0.000 2.170) 7.293 7.881 ( -5.400 0.000 -3.641) 6.513 7.965 ( -1.463 0.000 3.509) 3.802 8.024 ( -2.923 0.000 -3.269) 4.385 8.180 ( -0.966 0.000 -0.909) 1.326 8.310 ( 4.349 0.000 3.103) 5.342 8.398 ( -2.073 0.000 0.928) 2.271 8.561 ( 9.308 0.000 -2.217) 9.569 8.645 ( 5.737 0.000 1.545) 5.941 8.683 ( 6.791 0.000 -7.896) 10.414 8.908 ( -1.580 0.000 -0.100) 1.583 8.980 ( 1.953 0.000 1.515) 2.472 9.377 ( -3.085 0.000 10.112) 10.572 9.474 ( 1.706 0.000 0.510) 1.780 9.569 ( -2.486 0.000 -0.786) 2.608 9.701 ( -13.333 0.000 -1.014) 13.372 10.100 ( 3.461 0.000 -3.193) 4.710 10.177 ( 6.169 0.000 3.205) 6.952 10.252 ( 1.458 0.000 1.574) 2.145 10.342 ( -1.463 0.000 -1.662) 2.214 10.494 ( -1.751 0.000 -0.557) 1.838 10.605 ( 7.276 0.000 -0.653) 7.305 10.758 ( 1.727 0.000 3.102) 3.551 10.865 ( 7.938 0.000 -1.072) 8.010 11.039 ( -7.760 0.000 -7.566) 10.838 11.085 ( -5.848 0.000 4.940) 7.655 11.164 ( -3.597 0.000 -4.804) 6.002 11.243 ( -4.078 0.000 7.839) 8.836 11.451 ( -6.101 0.000 0.536) 6.125 11.539 ( -0.005 0.000 -4.138) 4.138 11.600 ( 3.799 0.000 -2.895) 4.776 11.642 ( 6.617 0.000 4.345) 7.916 12.211 ( -12.209 0.000 0.405) 12.216 12.220 ( -10.686 0.000 -0.362) 10.692 13.171 ( 4.589 0.000 -3.629) 5.851 13.255 ( 7.218 0.000 2.486) 7.634 13.526 ( 6.821 0.000 -5.068) 8.497 13.534 ( 2.717 0.000 4.676) 5.408 13.793 ( 1.679 0.000 -0.451) 1.738 14.030 ( 5.726 0.000 7.567) 9.489 14.047 ( -4.412 0.000 -3.480) 5.619 14.434 ( 3.188 0.000 -1.092) 3.370 14.577 ( -6.323 0.000 2.455) 6.783 14.614 ( -0.711 0.000 -3.711) 3.779 14.794 ( -7.225 0.000 -6.718) 9.866 14.819 ( -7.531 0.000 6.415) 9.893 15.337 ( 0.751 0.000 5.484) 5.535 15.402 ( 5.217 0.000 -4.424) 6.840 15.586 ( 3.551 0.000 -6.307) 7.238 15.642 ( 3.233 0.000 5.642) 6.502 16.439 ( -0.530 0.000 4.316) 4.348 16.480 ( 2.949 0.000 -4.983) 5.790 16.907 ( -6.635 0.000 1.351) 6.771 16.923 ( -7.652 0.000 -0.753) 7.689 17.049 ( 7.140 0.000 0.593) 7.165 17.108 ( 6.003 0.000 1.199) 6.121 17.195 ( 2.034 0.000 -2.270) 3.048 17.243 ( 2.566 0.000 1.981) 3.242 17.656 ( 0.504 0.000 -1.063) 1.176 17.656 ( 0.807 0.000 -0.863) 1.182 17.693 ( 0.754 0.000 0.825) 1.117 17.733 ( 0.692 0.000 1.114) 1.311 17.766 ( -1.709 0.000 0.214) 1.722 17.809 ( -4.999 0.000 -1.159) 5.132 18.050 ( 4.312 0.000 1.701) 4.635 18.138 ( 3.707 0.000 -2.824) 4.660 18.241 ( -0.763 0.000 0.458) 0.890 18.267 ( -0.784 0.000 0.108) 0.791 18.714 ( -0.873 0.000 -0.031) 0.874 18.777 ( 1.973 0.000 -3.046) 3.629 19.033 ( -5.093 0.000 0.762) 5.150 19.132 ( -6.291 0.000 0.972) 6.365 19.350 ( -0.530 0.000 2.914) 2.961 19.461 ( 0.843 0.000 -2.788) 2.912 19.707 ( 5.118 0.000 -1.139) 5.243 19.731 ( 5.077 0.000 1.552) 5.309 19.857 ( -0.918 0.000 0.682) 1.144 19.952 ( 1.087 0.000 -2.852) 3.053 20.538 ( 2.594 0.000 -9.347) 9.701 20.548 ( -1.298 0.000 8.754) 8.850 20.852 ( 0.338 0.000 -0.564) 0.657 20.940 ( 2.708 0.000 0.918) 2.859 21.283 ( -0.753 0.000 2.012) 2.148 21.300 ( -1.569 0.000 -0.977) 1.849 21.758 ( 0.762 0.000 2.695) 2.801 21.789 ( 1.995 0.000 -2.076) 2.879 22.711 ( -0.784 0.000 0.600) 0.987 22.746 ( -0.059 0.000 -1.242) 1.243 22.882 ( 1.757 0.000 -0.336) 1.789 22.888 ( 3.102 0.000 -2.757) 4.150 23.218 ( -4.454 0.000 1.326) 4.647 23.297 ( -2.291 0.000 0.999) 2.500 23.347 ( 2.122 0.000 1.275) 2.476 23.419 ( 3.146 0.000 -0.117) 3.149 23.934 ( 0.987 0.000 -4.465) 4.572 24.039 ( 4.315 0.000 3.775) 5.734 24.370 ( -14.316 0.000 -5.236) 15.243 24.777 ( -4.526 0.000 -5.861) 7.406 25.107 ( -0.142 0.000 2.741) 2.745 25.185 ( 3.521 0.000 -2.813) 4.506 25.349 ( -3.564 0.000 -3.813) 5.219 25.431 ( -7.436 0.000 5.496) 9.247 26.311 ( 0.433 0.000 0.692) 0.816 26.354 ( 1.578 0.000 -0.250) 1.597 26.847 ( 5.449 0.000 4.939) 7.354 26.855 ( 15.213 0.000 -4.689) 15.920 27.297 ( 3.084 0.000 -2.027) 3.691 27.302 ( 0.452 0.000 1.524) 1.589 27.823 ( 7.826 0.000 0.257) 7.831 27.843 ( -0.470 0.000 -0.890) 1.006 27.890 ( -2.305 0.000 -0.812) 2.444 27.927 ( 8.934 0.000 8.916) 12.622 28.178 ( -2.797 0.000 8.261) 8.721 28.198 ( 3.119 0.000 -7.544) 8.163 28.490 ( 5.451 0.000 4.417) 7.016 28.584 ( 8.262 0.000 -4.393) 9.357 28.794 ( 4.354 0.000 -1.409) 4.576 28.865 ( 1.605 0.000 8.273) 8.427 29.194 ( -3.989 0.000 -1.968) 4.448 29.349 ( -1.242 0.000 -0.209) 1.259 30.204 ( -5.612 0.000 4.003) 6.893 30.302 ( -0.796 0.000 -4.276) 4.349 30.363 ( -1.524 0.000 -5.842) 6.038 30.448 ( 0.107 0.000 4.213) 4.214 30.701 ( 2.825 0.000 -2.718) 3.921 30.753 ( 0.689 0.000 4.433) 4.486 31.362 ( -1.883 0.000 -4.569) 4.942 31.436 ( -0.011 0.000 7.285) 7.285 31.743 ( -12.648 0.000 -1.946) 12.797 31.825 ( -13.182 0.000 3.815) 13.723 32.166 ( 8.497 0.000 -5.798) 10.287 32.400 ( -0.420 0.000 3.663) 3.687 32.482 ( 2.324 0.000 -2.650) 3.525 32.529 ( 4.522 0.000 9.791) 10.785 36.912 ( -0.115 0.000 0.809) 0.817 36.915 ( 0.353 0.000 -0.874) 0.943 37.503 ( 9.110 0.000 -3.276) 9.681 37.526 ( 9.825 0.000 9.495) 13.663 39.435 ( 0.926 0.000 -4.987) 5.073 39.437 ( -1.445 0.000 5.029) 5.233 40.206 ( -1.192 0.000 4.985) 5.126 40.493 ( 7.687 0.000 -14.699) 16.588 ======================= Grid point 93 (43/55) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 11.023 0.000 -3.113) 11.455 1.304 ( 22.745 0.000 -12.046) 25.738 1.386 ( 9.686 0.000 18.010) 20.449 1.437 ( -12.707 0.000 0.088) 12.707 1.480 ( 17.454 0.000 0.876) 17.476 1.605 ( -6.420 0.000 -1.723) 6.647 1.726 ( -17.708 0.000 3.162) 17.988 1.863 ( -13.851 0.000 -2.959) 14.164 2.048 ( 5.223 0.000 1.229) 5.366 2.067 ( 5.416 0.000 -3.087) 6.234 2.260 ( 3.384 0.000 -5.752) 6.674 2.317 ( -2.043 0.000 1.148) 2.343 2.444 ( 0.518 0.000 3.305) 3.345 2.481 ( 8.673 0.000 -4.161) 9.620 2.527 ( -1.544 0.000 -5.388) 5.605 2.568 ( -3.026 0.000 4.151) 5.137 2.687 ( 3.792 0.000 6.382) 7.423 2.731 ( 0.056 0.000 -5.589) 5.589 2.784 ( -3.519 0.000 0.740) 3.596 2.815 ( 3.999 0.000 -1.385) 4.232 2.815 ( -4.432 0.000 1.705) 4.749 2.829 ( 6.630 0.000 5.524) 8.630 2.945 ( -0.613 0.000 -0.312) 0.687 3.016 ( 0.928 0.000 0.304) 0.976 3.088 ( -0.545 0.000 -2.748) 2.802 3.093 ( 0.079 0.000 -0.226) 0.239 3.240 ( 0.900 0.000 4.768) 4.853 3.261 ( -1.810 0.000 -4.653) 4.993 3.447 ( -4.229 0.000 7.700) 8.785 3.460 ( -2.236 0.000 -6.818) 7.175 3.570 ( 3.608 0.000 5.913) 6.927 3.677 ( -4.130 0.000 -7.684) 8.724 3.921 ( 4.546 0.000 2.843) 5.362 3.976 ( -0.888 0.000 -0.843) 1.224 4.045 ( 0.486 0.000 1.569) 1.643 4.070 ( -1.913 0.000 -1.324) 2.326 4.166 ( 0.867 0.000 -1.635) 1.851 4.215 ( -1.776 0.000 3.849) 4.239 4.331 ( 8.838 0.000 -0.162) 8.839 4.427 ( 1.751 0.000 4.218) 4.567 4.471 ( -2.983 0.000 -7.371) 7.952 4.552 ( -3.569 0.000 -3.749) 5.176 4.657 ( -4.421 0.000 1.379) 4.631 4.753 ( -7.255 0.000 1.060) 7.332 4.963 ( 3.933 0.000 5.928) 7.114 5.088 ( -3.430 0.000 -7.128) 7.910 5.464 ( -0.587 0.000 6.115) 6.143 5.483 ( -0.896 0.000 -3.898) 4.000 5.632 ( 0.849 0.000 -1.412) 1.648 5.704 ( -6.724 0.000 -3.090) 7.399 5.869 ( 7.582 0.000 3.010) 8.158 5.960 ( 2.272 0.000 0.158) 2.277 6.032 ( -0.877 0.000 3.614) 3.719 6.084 ( -3.370 0.000 -6.741) 7.536 6.340 ( 6.016 0.000 5.679) 8.273 6.535 ( -9.577 0.000 -4.654) 10.648 6.605 ( 1.355 0.000 -0.991) 1.679 6.659 ( -3.513 0.000 1.504) 3.821 7.206 ( 2.633 0.000 -2.813) 3.853 7.226 ( -2.963 0.000 3.764) 4.791 7.393 ( 5.430 0.000 0.274) 5.437 7.463 ( -1.645 0.000 -1.491) 2.221 7.738 ( -3.580 0.000 4.660) 5.877 7.765 ( -3.294 0.000 -5.888) 6.747 8.025 ( 3.378 0.000 3.336) 4.748 8.029 ( 3.962 0.000 -2.812) 4.859 8.226 ( 4.051 0.000 1.517) 4.326 8.303 ( -2.036 0.000 -2.483) 3.211 8.526 ( 7.074 0.000 6.328) 9.491 8.645 ( -0.481 0.000 -7.569) 7.584 8.701 ( 1.678 0.000 4.309) 4.624 8.729 ( 3.319 0.000 -8.266) 8.908 8.864 ( -2.080 0.000 2.964) 3.621 8.961 ( -8.504 0.000 4.152) 9.464 9.380 ( -4.089 0.000 -6.557) 7.727 9.392 ( -2.347 0.000 7.176) 7.550 9.516 ( -1.195 0.000 -1.009) 1.564 9.520 ( -0.708 0.000 1.025) 1.246 10.219 ( 6.936 0.000 1.694) 7.140 10.316 ( -0.401 0.000 -3.999) 4.019 10.318 ( 4.660 0.000 -4.819) 6.703 10.363 ( 3.089 0.000 8.786) 9.313 10.458 ( 4.704 0.000 -0.476) 4.728 10.676 ( -2.410 0.000 -3.298) 4.085 10.721 ( -3.565 0.000 3.149) 4.757 10.791 ( -12.689 0.000 -2.880) 13.012 10.943 ( 1.674 0.000 1.918) 2.545 11.016 ( -3.932 0.000 0.908) 4.036 11.180 ( 7.810 0.000 -9.734) 12.480 11.243 ( -2.761 0.000 11.055) 11.395 11.418 ( 1.864 0.000 3.407) 3.884 11.500 ( -2.204 0.000 -6.451) 6.817 11.699 ( 8.929 0.000 -1.065) 8.992 11.791 ( 5.573 0.000 1.903) 5.889 11.968 ( -11.252 0.000 1.929) 11.416 12.005 ( -9.456 0.000 -1.785) 9.623 13.239 ( 5.225 0.000 -6.285) 8.173 13.306 ( -3.498 0.000 6.244) 7.157 13.643 ( 5.515 0.000 -0.356) 5.527 13.655 ( 5.623 0.000 -2.887) 6.321 13.844 ( 2.336 0.000 2.604) 3.498 13.918 ( -3.694 0.000 -3.578) 5.143 14.215 ( 4.560 0.000 10.455) 11.406 14.352 ( -6.601 0.000 -4.095) 7.768 14.476 ( -3.087 0.000 5.291) 6.126 14.553 ( -5.581 0.000 -7.907) 9.678 14.681 ( 2.036 0.000 -6.178) 6.504 14.722 ( -4.849 0.000 6.642) 8.224 15.443 ( 5.906 0.000 5.345) 7.966 15.543 ( 6.927 0.000 -3.124) 7.599 15.571 ( 0.126 0.000 -6.967) 6.968 15.672 ( -3.644 0.000 5.029) 6.210 16.483 ( 2.763 0.000 3.513) 4.470 16.515 ( 2.251 0.000 -4.342) 4.891 16.766 ( -5.957 0.000 -1.401) 6.119 16.766 ( -6.447 0.000 2.174) 6.803 17.121 ( 1.534 0.000 -1.917) 2.455 17.143 ( -1.602 0.000 2.316) 2.816 17.317 ( 8.118 0.000 0.472) 8.131 17.363 ( 5.267 0.000 -0.589) 5.300 17.615 ( -2.662 0.000 -0.814) 2.783 17.620 ( -4.160 0.000 0.608) 4.204 17.724 ( 0.860 0.000 1.493) 1.723 17.728 ( 0.610 0.000 -1.065) 1.228 17.804 ( 5.099 0.000 -1.976) 5.469 17.824 ( 3.241 0.000 1.845) 3.730 18.036 ( -3.634 0.000 -1.309) 3.863 18.059 ( -6.770 0.000 1.122) 6.862 18.303 ( 4.186 0.000 -4.352) 6.038 18.308 ( 1.697 0.000 4.550) 4.856 18.717 ( 1.840 0.000 -0.325) 1.868 18.773 ( -1.793 0.000 -1.961) 2.657 18.967 ( -1.998 0.000 1.837) 2.714 18.992 ( -4.746 0.000 -0.990) 4.849 19.405 ( 2.298 0.000 4.726) 5.255 19.453 ( -0.318 0.000 -3.892) 3.905 19.790 ( 3.400 0.000 -1.337) 3.654 19.811 ( 1.277 0.000 1.473) 1.950 19.869 ( 1.451 0.000 2.873) 3.218 19.925 ( -1.827 0.000 -3.523) 3.969 20.549 ( 3.011 0.000 -9.572) 10.035 20.558 ( -2.135 0.000 9.008) 9.258 20.890 ( 3.200 0.000 1.159) 3.403 20.956 ( -1.641 0.000 -1.131) 1.993 21.258 ( -0.635 0.000 -0.828) 1.043 21.270 ( -1.410 0.000 1.078) 1.775 21.796 ( 0.921 0.000 3.223) 3.352 21.810 ( 0.990 0.000 -2.674) 2.852 22.713 ( 0.482 0.000 0.963) 1.077 22.731 ( -0.685 0.000 -1.216) 1.396 22.912 ( 1.172 0.000 0.203) 1.189 22.922 ( 1.004 0.000 -2.073) 2.303 23.185 ( 0.271 0.000 2.493) 2.507 23.235 ( -3.229 0.000 -1.410) 3.523 23.403 ( 2.194 0.000 2.937) 3.666 23.442 ( 0.001 0.000 -2.852) 2.852 23.965 ( 4.351 0.000 -4.008) 5.916 24.060 ( -5.440 0.000 0.769) 5.494 24.295 ( 8.190 0.000 4.560) 9.374 24.552 ( -13.221 0.000 -5.373) 14.271 25.150 ( 2.521 0.000 3.884) 4.631 25.211 ( -0.316 0.000 -4.350) 4.362 25.297 ( 0.649 0.000 -2.962) 3.032 25.335 ( -4.419 0.000 4.698) 6.450 26.324 ( 0.532 0.000 1.192) 1.305 26.349 ( -1.168 0.000 -1.385) 1.812 26.977 ( 4.841 0.000 9.185) 10.383 27.046 ( 5.304 0.000 -9.638) 11.001 27.300 ( -0.691 0.000 2.731) 2.817 27.323 ( 0.099 0.000 -3.520) 3.521 27.818 ( -0.337 0.000 -0.429) 0.545 27.829 ( -1.726 0.000 0.495) 1.796 27.990 ( 7.224 0.000 -2.924) 7.793 28.067 ( -0.957 0.000 3.052) 3.199 28.190 ( -0.768 0.000 15.055) 15.075 28.220 ( 3.033 0.000 -11.322) 11.721 28.615 ( 2.687 0.000 4.710) 5.423 28.639 ( 2.028 0.000 -7.461) 7.732 28.950 ( 2.961 0.000 9.245) 9.708 28.952 ( 6.037 0.000 4.092) 7.293 29.164 ( 1.625 0.000 -1.310) 2.087 29.256 ( -5.660 0.000 -5.763) 8.078 30.111 ( -2.863 0.000 -0.689) 2.945 30.147 ( -7.326 0.000 1.410) 7.460 30.428 ( 6.017 0.000 -7.235) 9.410 30.472 ( -1.119 0.000 5.194) 5.313 30.758 ( 3.369 0.000 -3.850) 5.116 30.774 ( -1.021 0.000 6.190) 6.274 31.311 ( -0.814 0.000 1.054) 1.331 31.384 ( -6.658 0.000 -1.683) 6.868 31.606 ( 0.239 0.000 2.496) 2.508 31.671 ( -4.519 0.000 -1.688) 4.824 32.285 ( 6.432 0.000 -5.516) 8.473 32.366 ( -3.926 0.000 3.531) 5.281 32.524 ( 3.663 0.000 -5.119) 6.295 32.568 ( -3.719 0.000 9.187) 9.911 36.914 ( -0.058 0.000 0.784) 0.786 36.916 ( 0.166 0.000 -0.818) 0.835 37.650 ( 7.124 0.000 -5.818) 9.198 37.691 ( 0.297 0.000 10.022) 10.026 39.431 ( 1.072 0.000 -4.752) 4.872 39.433 ( -1.337 0.000 4.802) 4.985 40.328 ( 6.199 0.000 14.105) 15.408 40.483 ( -0.798 0.000 -17.071) 17.090 ======================= Grid point 96 (44/55) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 5.196 17.919 -12.281) 22.337 1.068 ( -5.196 17.919 12.281) 22.337 1.179 ( 4.119 13.938 -12.991) 19.493 1.179 ( -4.119 13.938 12.991) 19.493 1.579 ( -3.876 13.258 -6.783) 15.389 1.579 ( 3.876 13.258 6.783) 15.389 1.810 ( -0.410 5.364 -8.748) 10.270 1.810 ( 0.410 5.364 8.748) 10.270 2.045 ( 2.501 -3.175 -4.240) 5.858 2.045 ( -2.501 -3.175 4.240) 5.858 2.241 ( -3.062 1.753 -0.178) 3.533 2.241 ( 3.062 1.753 0.178) 3.533 2.510 ( 3.172 -2.238 -2.411) 4.570 2.510 ( -3.172 -2.238 2.411) 4.570 2.618 ( -3.601 -1.089 -1.300) 3.981 2.618 ( 3.601 -1.089 1.300) 3.981 2.729 ( 1.817 2.421 -2.686) 4.047 2.729 ( -1.817 2.421 2.686) 4.047 2.797 ( 0.359 -0.862 -1.440) 1.716 2.797 ( -0.359 -0.862 1.440) 1.716 2.883 ( -1.044 4.306 -3.667) 5.752 2.883 ( 1.044 4.306 3.667) 5.752 2.940 ( -0.449 -1.737 -1.784) 2.530 2.940 ( 0.449 -1.737 1.784) 2.530 3.106 ( -0.375 0.295 -2.467) 2.512 3.106 ( 0.375 0.295 2.467) 2.512 3.219 ( -4.724 -1.133 -2.988) 5.703 3.219 ( 4.724 -1.133 2.988) 5.703 3.419 ( 1.349 -0.177 -2.843) 3.151 3.419 ( -1.349 -0.177 2.843) 3.151 3.575 ( -1.008 1.171 -0.906) 1.791 3.575 ( 1.008 1.171 0.906) 1.791 3.979 ( -0.392 -0.792 -3.276) 3.394 3.979 ( 0.392 -0.792 3.276) 3.394 4.038 ( 0.484 1.030 -3.651) 3.824 4.038 ( -0.484 1.030 3.651) 3.824 4.172 ( 0.348 -1.655 -4.356) 4.673 4.172 ( -0.348 -1.655 4.356) 4.673 4.349 ( 2.299 1.303 -4.638) 5.338 4.349 ( -2.299 1.303 4.638) 5.338 4.809 ( -4.408 7.811 -4.165) 9.889 4.809 ( 4.408 7.811 4.165) 9.889 4.853 ( -0.099 4.869 -0.731) 4.925 4.853 ( 0.100 4.869 0.731) 4.925 5.101 ( 1.637 4.137 -3.226) 5.495 5.101 ( -1.637 4.137 3.226) 5.495 5.502 ( 3.701 -4.839 -7.333) 9.533 5.502 ( -3.701 -4.839 7.333) 9.533 5.789 ( -2.734 2.500 -2.081) 4.249 5.789 ( 2.734 2.500 2.081) 4.249 5.905 ( 0.677 5.141 -4.509) 6.872 5.905 ( -0.677 5.141 4.509) 6.872 6.055 ( 8.181 -2.242 -4.789) 9.742 6.055 ( -8.181 -2.242 4.789) 9.742 6.394 ( -11.952 -2.884 -8.618) 15.015 6.394 ( 11.952 -2.884 8.618) 15.015 6.605 ( 4.024 -4.890 -5.855) 8.625 6.605 ( -4.024 -4.890 5.855) 8.625 7.142 ( -3.404 -2.362 -2.029) 4.613 7.142 ( 3.404 -2.362 2.029) 4.613 7.442 ( -0.694 0.219 -1.640) 1.795 7.442 ( 0.694 0.219 1.640) 1.795 7.859 ( -1.247 -12.549 -2.095) 12.784 7.859 ( 1.247 -12.549 2.095) 12.784 8.063 ( -1.629 7.324 -0.653) 7.532 8.063 ( 1.629 7.324 0.653) 7.532 8.278 ( -5.236 -1.152 -3.539) 6.424 8.278 ( 5.236 -1.152 3.539) 6.424 8.469 ( 1.937 1.872 -5.185) 5.843 8.469 ( -1.937 1.872 5.185) 5.843 8.557 ( -4.857 1.144 1.048) 5.099 8.557 ( 4.857 1.144 -1.048) 5.099 8.965 ( -0.821 3.007 -1.085) 3.300 8.965 ( 0.821 3.007 1.085) 3.300 9.296 ( 0.499 -8.279 -2.078) 8.550 9.296 ( -0.499 -8.279 2.078) 8.550 9.769 ( 4.502 5.420 -3.104) 7.700 9.769 ( -4.502 5.420 3.104) 7.700 10.074 ( -0.426 -2.011 -3.028) 3.659 10.074 ( 0.426 -2.011 3.028) 3.659 10.407 ( -5.634 3.593 -0.482) 6.699 10.407 ( 5.634 3.593 0.482) 6.699 10.483 ( -2.711 0.985 -0.950) 3.037 10.483 ( 2.711 0.985 0.950) 3.037 10.709 ( -0.660 -3.082 -2.227) 3.860 10.709 ( 0.660 -3.082 2.227) 3.860 11.065 ( -2.425 -6.108 -7.576) 10.030 11.065 ( 2.425 -6.108 7.576) 10.030 11.229 ( 0.036 -4.238 -5.545) 6.980 11.229 ( -0.036 -4.238 5.545) 6.980 11.418 ( -5.053 -5.052 -5.432) 8.975 11.418 ( 5.053 -5.052 5.432) 8.975 11.714 ( -2.696 8.702 -3.236) 9.668 11.714 ( 2.696 8.702 3.236) 9.668 12.318 ( 1.676 -3.386 -2.067) 4.306 12.318 ( -1.676 -3.386 2.067) 4.306 13.169 ( -0.008 3.897 -3.644) 5.335 13.169 ( 0.008 3.897 3.644) 5.335 13.439 ( 1.220 -4.313 -5.773) 7.308 13.439 ( -1.220 -4.313 5.773) 7.308 13.811 ( -5.037 -2.123 -5.424) 7.700 13.811 ( 5.037 -2.123 5.424) 7.700 14.284 ( -8.833 2.659 -3.936) 10.029 14.284 ( 8.833 2.659 3.936) 10.029 14.630 ( -1.352 -1.254 -3.059) 3.572 14.630 ( 1.352 -1.254 3.059) 3.572 14.844 ( -1.183 -4.291 -2.600) 5.155 14.844 ( 1.183 -4.291 2.600) 5.155 15.412 ( 0.676 3.639 -4.755) 6.026 15.412 ( -0.676 3.639 4.755) 6.026 15.563 ( -0.172 0.591 -5.775) 5.808 15.563 ( 0.172 0.591 5.775) 5.808 16.447 ( 1.953 -0.098 -4.592) 4.991 16.447 ( -1.953 -0.098 4.592) 4.991 16.950 ( -1.118 -1.816 -0.674) 2.236 16.950 ( 1.118 -1.816 0.674) 2.236 17.015 ( -2.604 0.519 -0.287) 2.671 17.015 ( 2.604 0.519 0.287) 2.671 17.195 ( 0.432 -0.843 -2.632) 2.797 17.195 ( -0.432 -0.843 2.632) 2.797 17.653 ( -1.360 0.171 -1.250) 1.855 17.653 ( 1.360 0.171 1.250) 1.855 17.695 ( 0.592 0.050 -1.456) 1.573 17.695 ( -0.592 0.050 1.456) 1.573 17.835 ( -5.567 -2.927 -0.522) 6.311 17.835 ( 5.567 -2.927 0.522) 6.311 17.956 ( -5.418 -3.954 0.738) 6.748 17.956 ( 5.418 -3.954 -0.738) 6.748 18.306 ( 1.127 2.484 -1.231) 2.993 18.306 ( -1.127 2.484 1.231) 2.993 18.766 ( -1.841 1.696 -1.637) 2.991 18.766 ( 1.841 1.696 1.637) 2.991 19.150 ( -2.549 1.940 -3.382) 4.659 19.150 ( 2.549 1.940 3.382) 4.659 19.429 ( 2.990 -0.137 -1.544) 3.368 19.429 ( -2.990 -0.137 1.544) 3.368 19.631 ( -0.818 -1.558 -0.992) 2.020 19.631 ( 0.818 -1.558 0.992) 2.020 19.864 ( -1.915 -3.239 -0.392) 3.783 19.864 ( 1.915 -3.239 0.392) 3.783 20.580 ( 1.790 3.893 -8.147) 9.205 20.580 ( -1.790 3.893 8.147) 9.205 20.881 ( -1.694 0.058 -0.813) 1.880 20.881 ( 1.694 0.058 0.813) 1.880 21.267 ( 0.780 -3.066 -2.089) 3.791 21.267 ( -0.780 -3.066 2.089) 3.791 21.701 ( 1.404 -5.587 -2.871) 6.436 21.701 ( -1.404 -5.587 2.871) 6.436 22.717 ( 0.556 -1.751 -1.413) 2.318 22.717 ( -0.556 -1.751 1.413) 2.318 22.830 ( -0.078 -2.538 -0.458) 2.580 22.830 ( 0.078 -2.538 0.458) 2.580 23.276 ( 1.992 -1.647 -2.523) 3.612 23.276 ( -1.992 -1.647 2.523) 3.612 23.367 ( 0.251 0.980 -0.586) 1.170 23.367 ( -0.251 0.980 0.586) 1.170 23.973 ( -0.612 1.165 -1.365) 1.896 23.973 ( 0.612 1.165 1.365) 1.896 24.607 ( -8.694 -8.945 -0.557) 12.487 24.607 ( 8.694 -8.945 0.557) 12.487 25.155 ( 1.976 2.595 -2.037) 3.846 25.155 ( -1.976 2.595 2.037) 3.846 25.418 ( -2.401 -2.923 -4.980) 6.254 25.418 ( 2.401 -2.923 4.980) 6.254 26.369 ( -2.310 4.798 -0.365) 5.338 26.369 ( 2.310 4.798 0.365) 5.338 26.763 ( -9.214 4.592 2.175) 10.522 26.763 ( 9.214 4.592 -2.175) 10.522 27.323 ( 0.488 4.825 -2.130) 5.297 27.323 ( -0.488 4.825 2.130) 5.297 27.682 ( -0.148 -6.883 -2.724) 7.404 27.682 ( 0.148 -6.883 2.724) 7.404 27.911 ( -0.764 4.000 -3.340) 5.267 27.911 ( 0.764 4.000 3.340) 5.267 28.178 ( 0.618 -0.798 -4.386) 4.501 28.178 ( -0.618 -0.798 4.386) 4.501 28.478 ( -5.276 4.694 -0.689) 7.096 28.478 ( 5.276 4.694 0.689) 7.096 29.089 ( 1.739 17.105 -8.832) 19.329 29.089 ( -1.739 17.105 8.832) 19.329 29.407 ( -3.688 12.849 -8.579) 15.884 29.407 ( 3.688 12.849 8.579) 15.884 30.094 ( 4.785 -10.215 -3.824) 11.911 30.094 ( -4.785 -10.215 3.824) 11.911 30.617 ( -1.968 10.199 -0.313) 10.391 30.617 ( 1.968 10.199 0.313) 10.391 30.715 ( -1.922 2.100 -2.630) 3.876 30.715 ( 1.922 2.100 2.630) 3.876 31.378 ( -0.184 -2.320 -7.917) 8.252 31.378 ( 0.184 -2.320 7.917) 8.252 31.919 ( -0.076 -8.689 -1.995) 8.915 31.919 ( 0.076 -8.689 1.995) 8.915 32.096 ( -5.961 -3.484 -0.855) 6.957 32.096 ( 5.961 -3.484 0.855) 6.957 32.455 ( -1.000 -1.444 -1.843) 2.546 32.455 ( 1.000 -1.444 1.843) 2.546 36.900 ( 0.080 -1.122 -0.739) 1.346 36.900 ( -0.080 -1.122 0.739) 1.346 37.389 ( 0.275 -0.336 -1.223) 1.298 37.389 ( -0.275 -0.336 1.223) 1.298 39.464 ( 0.718 2.267 -4.948) 5.490 39.464 ( -0.718 2.267 4.948) 5.490 40.441 ( 2.918 9.154 -5.225) 10.937 40.441 ( -2.918 9.154 5.225) 10.937 ======================= Grid point 98 (45/55) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 8.407 7.952 1.966) 11.738 1.143 ( 2.896 6.998 -5.138) 9.152 1.227 ( 3.253 16.126 7.086) 17.912 1.298 ( 9.349 12.687 0.021) 15.759 1.658 ( -2.997 2.877 -2.407) 4.801 1.721 ( 8.054 6.172 -5.224) 11.413 1.794 ( 2.422 -0.263 -1.464) 2.843 1.918 ( 10.504 9.632 4.245) 14.871 1.984 ( -3.139 2.019 0.930) 3.847 2.110 ( 6.733 4.208 -4.698) 9.226 2.177 ( -1.756 -0.387 -1.597) 2.405 2.311 ( 2.827 2.256 0.917) 3.731 2.419 ( -3.902 -1.466 2.026) 4.635 2.531 ( -2.491 -2.462 5.071) 6.163 2.554 ( -0.469 0.251 -2.288) 2.349 2.607 ( -4.421 1.634 -0.345) 4.726 2.690 ( -0.318 4.141 0.129) 4.155 2.746 ( -3.236 1.591 -1.508) 3.909 2.762 ( 1.215 2.335 0.208) 2.640 2.818 ( -0.822 -0.216 0.365) 0.925 2.862 ( 1.235 0.833 -1.393) 2.040 2.894 ( -2.162 -1.434 -0.133) 2.597 2.908 ( 0.520 -0.316 1.447) 1.570 3.034 ( 5.110 1.333 -2.535) 5.858 3.050 ( -3.432 0.817 -0.465) 3.558 3.109 ( -0.551 -0.029 -1.958) 2.034 3.167 ( 0.464 -1.342 3.614) 3.883 3.302 ( 1.047 0.726 2.873) 3.143 3.436 ( 0.507 -1.298 2.830) 3.155 3.469 ( 3.132 -1.855 -3.569) 5.098 3.542 ( 1.119 2.775 4.171) 5.133 3.695 ( 6.132 -1.674 -0.858) 6.414 3.886 ( -4.728 0.602 -3.757) 6.069 3.961 ( -1.371 -1.993 1.829) 3.033 4.053 ( -0.155 2.255 2.540) 3.400 4.071 ( 1.676 0.336 -2.649) 3.152 4.172 ( -0.431 -2.982 0.726) 3.099 4.221 ( 4.741 2.185 -0.129) 5.222 4.297 ( -2.829 3.271 2.169) 4.838 4.333 ( -0.388 -0.548 -1.227) 1.399 4.667 ( -6.041 0.654 -5.380) 8.115 4.732 ( -3.914 12.248 -0.861) 12.887 4.896 ( -1.562 4.395 1.520) 4.905 4.921 ( -8.920 5.788 2.356) 10.891 4.963 ( 2.835 8.319 -1.298) 8.884 5.200 ( 4.108 6.075 -3.577) 8.160 5.454 ( -4.335 -1.787 4.298) 6.361 5.537 ( 1.349 -3.255 0.973) 3.655 5.678 ( -1.365 1.173 -1.631) 2.429 5.812 ( -5.212 5.651 4.786) 9.055 5.892 ( 2.578 2.074 0.220) 3.316 5.955 ( -9.653 2.371 -3.202) 10.443 5.968 ( 3.926 -1.925 -2.638) 5.107 6.101 ( -1.608 2.279 -4.515) 5.307 6.207 ( 4.416 -4.012 2.836) 6.606 6.497 ( -4.514 -11.221 1.626) 12.204 6.609 ( 2.030 -3.418 1.617) 4.292 6.718 ( 2.412 -2.533 -4.530) 5.723 7.084 ( 1.419 -3.823 0.169) 4.081 7.203 ( 1.120 -4.280 0.223) 4.430 7.370 ( -2.475 0.889 -0.845) 2.762 7.466 ( 0.487 0.763 -0.532) 1.050 7.794 ( -3.290 -7.620 -1.073) 8.369 7.856 ( -3.542 -4.974 0.576) 6.133 7.985 ( -1.422 3.687 1.022) 4.082 8.057 ( -2.090 4.375 -1.068) 4.965 8.156 ( -3.302 -1.005 -2.000) 3.989 8.315 ( -4.981 -2.958 0.933) 5.868 8.409 ( 5.842 4.658 3.683) 8.330 8.577 ( 5.003 0.229 -1.547) 5.242 8.618 ( 5.484 -4.362 -4.964) 8.587 8.673 ( 4.487 0.143 0.362) 4.504 8.916 ( -1.135 1.351 -0.886) 1.975 8.995 ( 1.027 1.869 0.575) 2.209 9.228 ( -5.657 -9.672 0.714) 11.228 9.296 ( -3.776 -7.628 2.574) 8.893 9.678 ( -1.250 7.266 4.553) 8.665 9.905 ( -0.301 7.597 -2.221) 7.921 10.115 ( 6.453 1.235 -2.693) 7.100 10.176 ( 7.194 -1.504 2.942) 7.916 10.249 ( -2.840 3.159 1.462) 4.493 10.343 ( -2.935 -0.469 -2.122) 3.652 10.525 ( -1.393 2.280 0.478) 2.714 10.562 ( 1.680 -3.428 -0.965) 3.938 10.735 ( 5.729 -2.639 2.533) 6.797 10.859 ( 7.021 -0.878 -1.088) 7.159 10.948 ( -5.454 -5.065 -5.058) 8.999 11.095 ( -2.577 -2.423 7.463) 8.259 11.123 ( -2.062 -0.418 -2.747) 3.460 11.206 ( -6.008 -3.848 1.181) 7.231 11.359 ( 0.837 -6.083 -0.131) 6.141 11.535 ( 2.742 -4.114 2.052) 5.353 11.631 ( -1.982 7.238 -4.923) 8.975 11.766 ( 3.098 7.619 1.757) 8.411 12.185 ( -11.145 -0.402 1.995) 11.330 12.261 ( -6.703 1.149 -1.435) 6.950 13.157 ( 0.926 -0.522 -2.934) 3.120 13.238 ( 2.497 -1.264 2.550) 3.786 13.468 ( 5.755 -4.582 0.484) 7.373 13.512 ( 5.381 -3.285 -2.190) 6.674 13.773 ( 2.000 -1.833 -0.733) 2.810 13.976 ( 6.022 -5.378 8.465) 11.698 14.109 ( -5.931 5.866 -5.384) 9.928 14.408 ( -1.030 -2.476 -0.583) 2.744 14.546 ( -2.326 -1.442 -0.213) 2.745 14.628 ( -4.679 -0.329 0.958) 4.788 14.728 ( -2.631 -3.008 0.221) 4.002 14.868 ( -3.230 1.350 -0.136) 3.503 15.358 ( -0.694 2.417 1.450) 2.903 15.444 ( 3.265 3.076 -1.594) 4.760 15.586 ( 3.062 0.084 -4.521) 5.461 15.649 ( 3.457 0.453 3.910) 5.238 16.441 ( 0.045 0.351 3.239) 3.259 16.478 ( 2.630 -0.230 -3.880) 4.693 16.866 ( -7.090 -3.771 0.013) 8.031 16.889 ( -6.508 -3.078 -0.104) 7.200 17.068 ( 5.375 1.179 1.238) 5.640 17.092 ( 3.684 -1.591 0.712) 4.076 17.209 ( 3.483 1.436 -0.898) 3.873 17.216 ( 1.805 -1.833 0.442) 2.610 17.602 ( -2.878 -3.281 -0.806) 4.438 17.673 ( 0.287 -1.565 0.518) 1.673 17.710 ( 2.180 1.790 0.391) 2.847 17.743 ( -0.162 0.457 -0.631) 0.796 17.760 ( 3.122 0.883 0.811) 3.344 17.803 ( -3.655 -0.374 -1.102) 3.836 18.020 ( 5.970 -2.601 1.120) 6.608 18.108 ( 7.358 -3.201 -2.677) 8.459 18.238 ( -4.231 1.192 1.231) 4.565 18.303 ( -1.207 2.100 -0.034) 2.422 18.698 ( -3.398 -1.016 -1.678) 3.924 18.797 ( -0.650 0.539 0.033) 0.845 19.065 ( -3.432 3.455 -1.436) 5.077 19.158 ( -4.644 2.519 1.934) 5.626 19.366 ( -0.674 1.519 2.495) 2.998 19.453 ( 1.132 -0.586 -2.672) 2.960 19.681 ( 4.703 -2.298 -0.098) 5.235 19.712 ( 4.727 -1.696 1.067) 5.134 19.818 ( -0.936 -3.243 0.434) 3.403 19.908 ( 1.034 -3.441 -1.776) 4.008 20.588 ( 2.874 4.330 -8.515) 9.976 20.594 ( -0.818 4.222 7.995) 9.079 20.870 ( 0.825 1.132 -0.028) 1.402 20.935 ( 2.877 -0.547 0.600) 2.990 21.241 ( -1.626 -3.627 0.790) 4.052 21.257 ( -2.349 -4.369 -0.570) 4.993 21.707 ( 0.741 -5.100 3.208) 6.070 21.729 ( 2.273 -5.753 -2.605) 6.712 22.696 ( -0.576 -1.457 0.394) 1.615 22.726 ( -0.293 -1.776 -0.955) 2.038 22.851 ( 2.642 -3.131 -0.589) 4.139 22.868 ( 2.938 -1.477 -1.487) 3.608 23.216 ( -3.283 -0.294 2.357) 4.052 23.322 ( 0.212 -0.371 -2.221) 2.262 23.340 ( 0.208 1.101 1.385) 1.782 23.400 ( 2.143 -1.474 -2.257) 3.444 23.967 ( 0.130 2.287 0.499) 2.344 24.017 ( 3.115 -1.761 2.939) 4.630 24.356 ( -12.060 -1.594 -3.948) 12.790 24.635 ( -4.885 -12.072 -3.306) 13.436 25.134 ( -0.116 2.551 2.246) 3.401 25.211 ( 3.490 2.674 -1.958) 4.813 25.338 ( -2.447 -0.419 -3.266) 4.102 25.439 ( -3.163 0.265 4.474) 5.486 26.345 ( 0.423 3.352 -0.092) 3.380 26.405 ( 0.538 4.575 -0.125) 4.608 26.771 ( 7.215 -0.228 3.717) 8.119 26.990 ( 10.491 3.250 -5.219) 12.160 27.286 ( -0.791 2.698 1.484) 3.179 27.360 ( 1.760 4.484 -1.275) 4.983 27.711 ( 4.585 -8.235 -2.490) 9.749 27.767 ( 3.434 -10.040 2.306) 10.859 27.851 ( -1.584 0.445 0.171) 1.654 27.940 ( 0.841 4.812 -0.348) 4.898 28.153 ( -2.390 -1.765 -0.168) 2.976 28.195 ( -1.264 -2.180 2.520) 3.564 28.487 ( 6.638 0.945 5.368) 8.589 28.626 ( 7.108 8.627 3.303) 11.656 29.061 ( 2.959 16.074 -5.573) 17.268 29.171 ( 4.027 20.504 -4.039) 21.282 29.268 ( -5.771 8.086 0.782) 9.965 29.477 ( -1.735 13.554 6.986) 15.346 30.007 ( -3.576 -10.339 1.375) 11.026 30.191 ( 4.216 -9.107 -4.532) 11.011 30.501 ( -7.381 9.355 0.274) 11.920 30.619 ( -2.493 8.775 1.449) 9.237 30.723 ( 3.074 1.749 -1.271) 3.758 30.774 ( 2.493 4.580 3.703) 6.396 31.330 ( -2.461 -3.151 -4.254) 5.838 31.426 ( 0.560 -1.210 6.880) 7.008 31.683 ( -11.327 -6.634 -1.105) 13.173 31.766 ( -10.897 -4.516 1.931) 11.952 32.158 ( 7.415 -0.622 -4.008) 8.451 32.320 ( 5.178 -7.652 3.289) 9.807 32.442 ( 1.031 -2.618 -1.794) 3.336 32.502 ( 1.436 -2.998 5.327) 6.279 36.901 ( 0.295 -1.152 -0.281) 1.222 36.905 ( 0.072 -0.844 0.411) 0.942 37.456 ( 7.324 -3.154 2.517) 8.362 37.520 ( 8.616 -1.829 0.590) 8.828 39.461 ( 1.134 2.409 -4.456) 5.190 39.477 ( -0.822 2.939 5.678) 6.446 40.305 ( -2.814 9.470 2.309) 10.146 40.565 ( 4.418 6.092 -8.443) 11.310 ======================= Grid point 99 (46/55) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 7.966 2.643 -3.096) 8.946 1.302 ( 12.028 -0.027 -1.442) 12.114 1.384 ( 0.752 0.552 5.072) 5.157 1.452 ( 6.987 6.628 2.259) 9.892 1.548 ( -3.401 1.824 -1.792) 4.255 1.660 ( -3.950 5.868 4.308) 8.282 1.753 ( -4.909 4.411 -5.975) 8.902 1.879 ( -8.975 4.230 1.600) 10.050 2.099 ( 4.211 2.529 -0.248) 4.918 2.145 ( -0.112 4.414 0.260) 4.423 2.265 ( 4.328 0.173 -3.464) 5.547 2.348 ( -0.870 3.266 -0.405) 3.404 2.389 ( 3.010 -1.088 -0.469) 3.235 2.492 ( -3.097 -0.020 -1.819) 3.592 2.582 ( 4.223 3.422 -1.368) 5.605 2.627 ( -3.923 1.915 2.443) 5.003 2.674 ( 4.535 -0.347 3.925) 6.008 2.732 ( 2.469 -0.844 1.896) 3.226 2.761 ( 2.124 2.127 -2.680) 4.027 2.791 ( -3.708 -0.154 -0.629) 3.764 2.839 ( -1.572 1.451 0.149) 2.145 2.880 ( -2.516 1.080 0.394) 2.766 2.933 ( 5.913 1.670 -0.470) 6.162 3.039 ( 2.407 -0.177 0.323) 2.435 3.070 ( -3.543 -0.177 -0.738) 3.623 3.086 ( -0.973 -0.881 -0.283) 1.343 3.230 ( 4.550 1.885 0.413) 4.942 3.299 ( -1.247 2.534 0.319) 2.842 3.422 ( -3.618 -1.946 6.361) 7.572 3.444 ( -2.339 -1.410 -5.985) 6.579 3.623 ( 3.017 3.331 6.480) 7.886 3.703 ( -2.034 1.290 -6.722) 7.141 3.893 ( 4.006 -2.525 2.373) 5.296 3.952 ( -0.370 -2.028 -0.467) 2.114 4.040 ( -2.097 -1.067 -1.780) 2.950 4.043 ( -1.983 -0.491 -0.198) 2.052 4.197 ( 3.921 2.591 1.426) 4.911 4.266 ( -2.084 2.931 3.684) 5.149 4.347 ( 7.022 1.381 -2.860) 7.707 4.392 ( 3.203 3.632 3.932) 6.237 4.527 ( -3.457 2.014 -5.949) 7.170 4.621 ( -9.900 4.910 -0.233) 11.053 4.768 ( 0.183 9.075 0.701) 9.104 4.848 ( -5.038 8.081 -0.995) 9.574 5.050 ( 6.861 9.035 2.342) 11.584 5.199 ( -4.270 8.521 -2.136) 9.768 5.436 ( 3.044 -0.020 2.753) 4.104 5.584 ( -2.901 4.822 0.770) 5.680 5.615 ( -4.628 -2.238 -4.293) 6.698 5.663 ( -1.946 0.295 -0.746) 2.105 5.886 ( 4.225 1.994 1.551) 4.923 5.961 ( 1.164 0.489 0.038) 1.263 6.003 ( -0.348 -1.994 2.568) 3.269 6.074 ( -4.393 -1.095 -5.724) 7.298 6.295 ( 5.227 -4.775 6.027) 9.298 6.410 ( -2.807 -9.360 -3.456) 10.365 6.628 ( -0.561 -0.504 -0.370) 0.841 6.643 ( -3.745 -0.196 -0.674) 3.811 7.152 ( 2.532 -5.255 0.454) 5.850 7.185 ( -1.400 -4.963 0.044) 5.157 7.397 ( 3.819 -0.820 -0.763) 3.980 7.456 ( -1.758 0.005 0.141) 1.763 7.737 ( -1.524 -0.581 0.708) 1.779 7.765 ( -3.706 0.328 -1.414) 3.980 8.021 ( 1.615 -1.070 -1.215) 2.287 8.035 ( 0.192 0.591 1.869) 1.970 8.166 ( 4.132 -4.301 0.427) 5.979 8.248 ( -2.603 -4.154 -1.565) 5.146 8.551 ( 5.368 -1.654 1.606) 5.842 8.602 ( -0.450 -2.529 -0.152) 2.574 8.689 ( 4.067 -2.975 -6.606) 8.308 8.715 ( -0.899 -0.412 4.587) 4.692 8.911 ( 1.114 3.789 -2.772) 4.825 8.986 ( -7.478 3.457 4.014) 9.164 9.105 ( 1.430 -10.120 -2.244) 10.464 9.203 ( -6.329 -10.216 2.144) 12.208 9.726 ( 3.300 10.963 4.273) 12.220 9.821 ( -4.249 13.392 -3.516) 14.483 10.232 ( 5.604 0.182 1.614) 5.835 10.300 ( 1.391 -1.201 -4.691) 5.038 10.319 ( 5.540 1.723 -3.341) 6.695 10.351 ( 6.614 -3.229 6.188) 9.616 10.454 ( -4.669 2.214 1.539) 5.392 10.543 ( -5.144 -8.234 -0.926) 9.752 10.747 ( -1.823 -1.615 -3.474) 4.243 10.794 ( -8.139 -0.963 1.199) 8.283 10.937 ( 2.859 0.656 3.736) 4.750 11.048 ( -5.377 1.230 0.096) 5.516 11.151 ( 9.469 -0.727 -8.948) 13.049 11.221 ( -0.346 -0.097 9.199) 9.206 11.401 ( 3.121 -3.130 2.619) 5.138 11.506 ( -5.051 -3.132 -2.430) 6.421 11.660 ( 8.928 2.199 -4.695) 10.324 11.845 ( -3.506 3.647 2.462) 5.627 11.980 ( -3.396 3.091 2.619) 5.286 12.099 ( -8.042 5.497 -1.898) 9.924 13.185 ( 3.888 -4.186 -4.919) 7.539 13.243 ( -3.286 -4.914 4.647) 7.519 13.585 ( 5.640 -5.769 -3.426) 8.765 13.625 ( 2.968 -3.365 1.439) 4.712 13.841 ( 5.009 -0.392 0.974) 5.118 13.974 ( -6.737 3.249 -2.136) 7.779 14.111 ( 5.672 -6.880 5.620) 10.540 14.273 ( -8.429 -5.660 -2.653) 10.494 14.522 ( 0.729 2.918 4.484) 5.399 14.595 ( -1.587 -0.034 -2.659) 3.097 14.704 ( 0.333 2.578 -2.751) 3.785 14.750 ( -6.061 3.364 1.539) 7.101 15.431 ( 5.731 -0.521 3.271) 6.619 15.525 ( 1.497 -1.772 -3.475) 4.178 15.599 ( 3.175 2.624 -3.345) 5.306 15.678 ( -2.867 0.623 3.372) 4.469 16.485 ( 2.581 0.275 3.016) 3.979 16.510 ( 2.133 -0.579 -3.683) 4.295 16.726 ( -5.128 -3.318 0.214) 6.112 16.746 ( -6.529 -2.124 0.102) 6.867 17.119 ( 0.832 -0.538 -0.160) 1.004 17.130 ( -0.280 -1.403 0.923) 1.703 17.286 ( 5.020 -3.430 -1.089) 6.177 17.316 ( 3.118 -3.574 0.961) 4.839 17.571 ( 0.838 -1.727 0.878) 2.111 17.640 ( -3.848 -0.073 -1.516) 4.137 17.727 ( 1.399 0.807 1.204) 2.015 17.754 ( -0.587 1.439 -0.886) 1.789 17.837 ( 6.184 3.394 0.066) 7.055 17.854 ( 4.731 2.715 0.105) 5.455 18.041 ( -3.229 0.564 -1.017) 3.432 18.068 ( -6.952 1.279 1.034) 7.144 18.289 ( 6.113 -1.136 -3.342) 7.059 18.323 ( 1.348 0.558 3.716) 3.992 18.640 ( 0.073 -5.896 -1.881) 6.189 18.720 ( -6.582 -4.966 0.639) 8.270 19.028 ( 0.422 5.684 -1.502) 5.894 19.062 ( -3.776 5.551 0.902) 6.774 19.413 ( 2.105 0.824 4.101) 4.683 19.454 ( -0.022 0.258 -3.414) 3.424 19.760 ( 2.822 -2.818 -0.426) 4.011 19.779 ( 0.783 -3.066 1.215) 3.389 19.835 ( 2.210 -2.741 1.282) 3.747 19.888 ( -1.769 -3.031 -2.070) 4.074 20.606 ( 2.700 4.993 -7.844) 9.682 20.612 ( -1.412 4.828 7.401) 8.948 20.912 ( 2.947 1.560 1.352) 3.598 20.965 ( -0.590 0.584 -1.174) 1.438 21.200 ( -0.995 -5.253 -1.367) 5.518 21.213 ( -2.046 -5.259 1.342) 5.801 21.742 ( 0.653 -5.379 3.617) 6.515 21.753 ( 1.262 -5.547 -3.189) 6.521 22.697 ( 0.254 -1.525 0.717) 1.705 22.710 ( -0.585 -1.804 -1.019) 2.152 22.897 ( 1.854 -1.851 0.007) 2.620 22.910 ( 1.146 -1.287 -1.007) 1.996 23.196 ( 0.672 0.912 2.298) 2.562 23.256 ( -3.521 1.937 -2.552) 4.760 23.389 ( 1.891 -1.499 2.261) 3.307 23.417 ( 0.455 -2.038 -2.760) 3.460 23.991 ( 2.425 1.801 0.417) 3.050 24.063 ( -2.811 -0.217 -0.459) 2.857 24.243 ( 4.625 -4.363 3.063) 7.057 24.445 ( -10.944 -9.506 -4.240) 15.103 25.172 ( 2.401 2.136 3.129) 4.486 25.234 ( -1.228 2.048 -3.498) 4.235 25.316 ( 2.488 2.391 -1.738) 3.864 25.378 ( -4.194 3.554 2.995) 6.260 26.365 ( 1.213 3.780 0.437) 3.994 26.394 ( -1.249 4.069 -0.637) 4.303 26.951 ( 6.827 -2.154 7.467) 10.344 27.066 ( 0.404 -1.046 -8.698) 8.770 27.309 ( 1.975 2.745 2.874) 4.437 27.363 ( -0.985 3.680 -2.738) 4.691 27.762 ( 0.993 -6.303 -2.613) 6.895 27.767 ( -0.899 -5.234 0.390) 5.325 27.909 ( 5.591 -3.376 1.597) 6.724 28.000 ( 1.235 -5.222 2.635) 5.978 28.075 ( -1.493 -4.791 -3.054) 5.875 28.144 ( -4.701 -6.386 1.705) 8.111 28.692 ( 7.976 3.564 2.800) 9.173 28.740 ( 1.848 9.410 4.444) 10.569 29.112 ( 3.216 15.229 -8.868) 17.914 29.137 ( -2.537 11.864 1.529) 12.228 29.299 ( 5.099 11.694 3.072) 13.122 29.418 ( -5.491 14.674 1.322) 15.724 29.990 ( 2.603 -6.828 -0.247) 7.312 30.120 ( -8.963 -4.664 -0.130) 10.105 30.468 ( 5.130 4.389 -4.263) 7.984 30.560 ( -5.039 4.622 3.922) 7.882 30.784 ( 3.119 2.593 0.738) 4.123 30.824 ( 0.009 5.786 1.395) 5.952 31.280 ( 0.385 -2.787 1.530) 3.203 31.381 ( -6.880 -0.499 -2.192) 7.237 31.573 ( 0.265 -3.188 2.320) 3.952 31.626 ( -3.687 -4.131 -1.611) 5.767 32.268 ( 5.572 -1.727 -3.925) 7.031 32.336 ( -2.758 -3.134 2.519) 4.876 32.478 ( 3.294 -4.061 -3.876) 6.509 32.518 ( -2.827 -4.317 6.736) 8.486 36.905 ( 0.187 -0.916 -0.189) 0.954 36.906 ( -0.029 -0.810 0.211) 0.838 37.604 ( 5.766 -4.348 -0.403) 7.233 37.644 ( 1.602 -4.468 2.866) 5.545 39.466 ( 1.528 2.969 -4.459) 5.571 39.477 ( -1.724 3.464 5.130) 6.426 40.376 ( 5.943 5.354 7.770) 11.152 40.526 ( -3.415 4.098 -10.128) 11.447 ======================= Grid point 102 (47/55) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 6.247 6.509 -8.768) 12.580 1.295 ( -6.247 6.509 8.768) 12.580 1.478 ( -4.565 18.232 -10.455) 21.507 1.478 ( 4.565 18.232 10.455) 21.507 1.842 ( -0.258 2.331 -3.056) 3.852 1.842 ( 0.258 2.331 3.056) 3.852 1.938 ( -5.011 10.536 -0.995) 11.710 1.938 ( 5.011 10.536 0.995) 11.710 2.107 ( 4.304 7.360 -8.907) 12.330 2.107 ( -4.304 7.360 8.907) 12.330 2.309 ( -5.944 7.122 -0.118) 9.277 2.309 ( 5.944 7.122 0.118) 9.277 2.483 ( -1.152 -1.616 -1.477) 2.474 2.483 ( 1.152 -1.616 1.477) 2.474 2.625 ( -4.703 2.675 -0.031) 5.411 2.625 ( 4.703 2.675 0.031) 5.411 2.715 ( 0.606 -3.046 -2.801) 4.182 2.715 ( -0.606 -3.046 2.801) 4.182 2.812 ( -1.263 1.874 -0.956) 2.454 2.812 ( 1.263 1.874 0.956) 2.454 2.844 ( -0.803 -2.068 -1.521) 2.690 2.844 ( 0.803 -2.068 1.521) 2.690 3.032 ( 1.985 3.485 -6.145) 7.338 3.032 ( -1.985 3.485 6.145) 7.338 3.117 ( -3.904 2.640 -4.518) 6.529 3.117 ( 3.904 2.640 4.518) 6.529 3.222 ( -4.449 2.006 -4.156) 6.410 3.222 ( 4.449 2.006 4.156) 6.410 3.412 ( 1.129 0.118 -1.733) 2.071 3.412 ( -1.129 0.118 1.733) 2.071 3.592 ( -0.640 0.179 -1.617) 1.748 3.592 ( 0.640 0.179 1.617) 1.748 3.970 ( -0.385 0.468 -3.175) 3.233 3.970 ( 0.385 0.468 3.175) 3.233 4.071 ( 2.160 2.209 -1.384) 3.386 4.071 ( -2.160 2.209 1.384) 3.386 4.159 ( 0.948 1.026 -1.681) 2.186 4.159 ( -0.948 1.026 1.681) 2.186 4.395 ( -0.411 2.009 -5.368) 5.747 4.395 ( 0.411 2.009 5.368) 5.747 4.804 ( -4.549 -0.478 -4.548) 6.450 4.804 ( 4.549 -0.478 4.548) 6.450 5.100 ( -4.986 9.233 -0.685) 10.516 5.100 ( 4.986 9.233 0.685) 10.516 5.207 ( -6.318 6.266 -0.266) 8.902 5.207 ( 6.318 6.266 0.266) 8.902 5.431 ( 0.936 -0.191 -5.703) 5.782 5.431 ( -0.936 -0.191 5.703) 5.782 5.814 ( 0.437 -0.534 -6.382) 6.419 5.814 ( -0.437 -0.534 6.382) 6.419 5.959 ( 4.068 -0.166 -3.773) 5.551 5.959 ( -4.068 -0.166 3.773) 5.551 6.042 ( -3.347 1.397 -2.561) 4.440 6.042 ( 3.347 1.397 2.561) 4.440 6.328 ( -2.647 -2.895 -5.609) 6.845 6.328 ( 2.647 -2.895 5.609) 6.845 6.508 ( -2.246 -4.526 -3.275) 6.021 6.508 ( 2.246 -4.526 3.275) 6.021 7.010 ( -2.542 -11.569 -2.118) 12.033 7.010 ( 2.542 -11.569 2.118) 12.033 7.478 ( -3.271 1.853 -5.520) 6.679 7.478 ( 3.271 1.853 5.520) 6.679 7.645 ( -3.631 -6.607 -2.106) 7.827 7.645 ( 3.631 -6.607 2.106) 7.827 8.116 ( 2.052 -3.107 -3.621) 5.194 8.116 ( -2.052 -3.107 3.621) 5.194 8.283 ( -4.587 2.237 -3.790) 6.356 8.283 ( 4.587 2.237 3.790) 6.356 8.485 ( 4.991 -0.123 -5.996) 7.802 8.485 ( -4.991 -0.123 5.996) 7.802 8.562 ( -1.704 -0.876 -3.872) 4.320 8.562 ( 1.704 -0.876 3.872) 4.320 9.054 ( -0.070 5.376 -4.022) 6.714 9.054 ( 0.070 5.376 4.022) 6.714 9.183 ( 0.261 -2.838 -3.313) 4.371 9.183 ( -0.261 -2.838 3.313) 4.371 9.834 ( 1.921 1.698 -4.187) 4.910 9.834 ( -1.921 1.698 4.187) 4.910 10.064 ( 1.459 0.810 -1.604) 2.315 10.064 ( -1.459 0.810 1.604) 2.315 10.428 ( -5.619 -0.632 -1.677) 5.898 10.428 ( 5.619 -0.632 1.677) 5.898 10.532 ( -6.271 1.733 -0.811) 6.557 10.532 ( 6.271 1.733 0.811) 6.557 10.648 ( -8.447 -1.348 -2.153) 8.820 10.648 ( 8.447 -1.348 2.153) 8.820 10.936 ( -1.216 -6.310 -7.963) 10.233 10.936 ( 1.216 -6.310 7.963) 10.233 11.187 ( -2.568 -0.712 -1.885) 3.264 11.187 ( 2.568 -0.712 1.885) 3.264 11.345 ( -6.027 -1.187 -4.198) 7.440 11.345 ( 6.027 -1.187 4.198) 7.440 11.855 ( -1.734 4.982 -3.694) 6.440 11.855 ( 1.734 4.982 3.694) 6.440 12.231 ( 0.674 -5.315 -3.661) 6.489 12.231 ( -0.674 -5.315 3.661) 6.489 13.228 ( 0.440 1.481 -4.401) 4.664 13.228 ( -0.440 1.481 4.401) 4.664 13.348 ( 2.646 -4.357 -4.347) 6.699 13.348 ( -2.646 -4.357 4.347) 6.699 13.784 ( -4.600 0.406 -4.604) 6.521 13.784 ( 4.600 0.406 4.604) 6.521 14.343 ( -4.081 1.824 -3.956) 5.969 14.343 ( 4.081 1.824 3.956) 5.969 14.586 ( -3.184 -2.985 -3.468) 5.574 14.586 ( 3.184 -2.985 3.468) 5.574 14.750 ( -8.145 -4.483 1.435) 9.407 14.750 ( 8.145 -4.483 -1.435) 9.407 15.477 ( -0.845 2.686 -5.613) 6.280 15.477 ( 0.845 2.686 5.613) 6.280 15.565 ( -0.564 -0.449 -6.486) 6.526 15.565 ( 0.564 -0.449 6.486) 6.526 16.459 ( 0.960 1.560 -3.753) 4.176 16.459 ( -0.960 1.560 3.753) 4.176 16.862 ( -0.676 -6.093 -1.703) 6.362 16.862 ( 0.676 -6.093 1.703) 6.362 17.069 ( 0.084 4.140 -1.951) 4.578 17.069 ( -0.084 4.140 1.951) 4.578 17.188 ( 0.548 0.407 -1.460) 1.612 17.188 ( -0.548 0.407 1.460) 1.612 17.622 ( -2.065 -3.778 -1.960) 4.731 17.622 ( 2.065 -3.778 1.960) 4.731 17.689 ( 1.365 -2.189 -1.969) 3.245 17.689 ( -1.365 -2.189 1.969) 3.245 17.775 ( -2.565 -1.331 -0.507) 2.934 17.775 ( 2.565 -1.331 0.507) 2.934 17.894 ( -4.533 -1.796 0.047) 4.876 17.894 ( 4.533 -1.796 -0.047) 4.876 18.368 ( 1.339 3.812 -0.955) 4.152 18.368 ( -1.339 3.812 0.955) 4.152 18.772 ( -2.434 -1.785 -2.402) 3.858 18.772 ( 2.434 -1.785 2.402) 3.858 19.219 ( -1.434 5.148 -3.853) 6.588 19.219 ( 1.434 5.148 3.853) 6.588 19.425 ( 1.893 -0.172 -1.998) 2.758 19.425 ( -1.893 -0.172 1.998) 2.758 19.600 ( -1.458 -1.346 -0.600) 2.073 19.600 ( 1.458 -1.346 0.600) 2.073 19.811 ( -1.515 -1.865 -1.310) 2.736 19.811 ( 1.515 -1.865 1.310) 2.736 20.664 ( 1.139 4.082 -5.938) 7.295 20.664 ( -1.139 4.082 5.938) 7.295 20.876 ( -1.043 -0.549 -0.683) 1.362 20.876 ( 1.043 -0.549 0.683) 1.362 21.183 ( 1.024 -5.033 -2.197) 5.586 21.183 ( -1.024 -5.033 2.197) 5.586 21.565 ( 1.566 -7.627 -4.131) 8.814 21.565 ( -1.566 -7.627 4.131) 8.814 22.677 ( -0.407 -2.162 -1.336) 2.574 22.677 ( 0.407 -2.162 1.336) 2.574 22.774 ( -2.066 -2.989 -0.121) 3.636 22.774 ( 2.066 -2.989 0.121) 3.636 23.243 ( 1.577 -1.722 -3.803) 4.463 23.243 ( -1.577 -1.722 3.803) 4.463 23.356 ( 0.280 -1.854 -1.519) 2.413 23.356 ( -0.280 -1.854 1.519) 2.413 24.005 ( -0.627 2.044 -2.615) 3.378 24.005 ( 0.627 2.044 2.615) 3.378 24.424 ( -1.958 -8.953 -0.810) 9.200 24.424 ( 1.958 -8.953 0.810) 9.200 25.223 ( 0.183 4.099 -1.373) 4.327 25.223 ( -0.183 4.099 1.373) 4.327 25.381 ( -1.436 -0.834 -4.213) 4.528 25.381 ( 1.436 -0.834 4.213) 4.528 26.472 ( -2.088 5.148 -1.799) 5.839 26.472 ( 2.088 5.148 1.799) 5.839 26.829 ( 1.657 1.578 -2.967) 3.747 26.829 ( -1.657 1.578 2.967) 3.747 27.454 ( -1.492 6.920 -0.979) 7.146 27.454 ( 1.492 6.920 0.979) 7.146 27.551 ( -1.894 -3.775 -1.407) 4.452 27.551 ( 1.894 -3.775 1.407) 4.452 28.013 ( -4.541 4.328 -4.883) 7.949 28.013 ( 4.541 4.328 4.883) 7.949 28.168 ( -0.765 0.271 -3.825) 3.910 28.168 ( 0.765 0.271 3.825) 3.910 28.588 ( -9.031 5.158 1.114) 10.460 28.588 ( 9.031 5.158 -1.114) 10.460 29.290 ( -1.259 6.172 -2.774) 6.883 29.290 ( 1.259 6.172 2.774) 6.883 29.743 ( 0.910 15.957 -18.440) 24.402 29.743 ( -0.910 15.957 18.440) 24.402 29.946 ( 7.196 -4.040 -5.940) 10.168 29.946 ( -7.196 -4.040 5.940) 10.168 30.696 ( 2.943 1.701 -1.607) 3.760 30.696 ( -2.943 1.701 1.607) 3.760 30.873 ( -3.497 9.960 -3.750) 11.202 30.873 ( 3.497 9.960 3.750) 11.202 31.307 ( -1.350 -5.004 -7.292) 8.946 31.307 ( 1.350 -5.004 7.292) 8.946 31.690 ( -6.358 -12.074 1.161) 13.695 31.690 ( 6.358 -12.074 -1.161) 13.695 32.084 ( -0.697 1.180 -3.077) 3.368 32.084 ( 0.697 1.180 3.077) 3.368 32.398 ( -0.450 -4.043 -3.623) 5.447 32.398 ( 0.450 -4.043 3.623) 5.447 36.874 ( -0.242 -1.382 -0.334) 1.442 36.874 ( 0.242 -1.382 0.334) 1.442 37.367 ( 1.889 -1.731 -1.420) 2.929 37.367 ( -1.889 -1.731 1.420) 2.929 39.516 ( 0.355 2.751 -3.262) 4.281 39.516 ( -0.355 2.751 3.262) 4.281 40.624 ( -0.720 8.445 -4.970) 9.826 40.624 ( 0.720 8.445 4.970) 9.826 ======================= Grid point 104 (48/55) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -1.763 6.993 5.504) 9.072 1.333 ( 0.594 8.390 -5.864) 10.254 1.476 ( 4.070 11.533 -1.702) 12.348 1.624 ( 3.350 19.530 2.577) 19.982 1.727 ( -6.090 3.189 -2.196) 7.217 1.801 ( -3.422 1.465 -2.782) 4.647 1.870 ( -0.642 8.075 0.879) 8.148 2.037 ( -0.237 4.691 2.724) 5.430 2.153 ( 6.888 7.387 1.844) 10.267 2.191 ( -4.500 5.728 -0.517) 7.303 2.236 ( 8.410 2.708 -3.474) 9.494 2.339 ( -5.488 0.718 -0.724) 5.581 2.462 ( 4.117 0.773 3.838) 5.682 2.494 ( -4.895 4.486 -0.207) 6.643 2.547 ( 0.345 -1.066 -1.419) 1.808 2.635 ( -0.410 1.778 -1.183) 2.175 2.732 ( -1.860 -2.966 1.236) 3.713 2.755 ( -0.403 -0.355 0.321) 0.626 2.785 ( 0.721 0.587 0.735) 1.185 2.804 ( 1.721 0.709 -0.549) 1.940 2.842 ( -0.475 -1.336 -0.387) 1.470 2.911 ( 4.555 3.770 -1.427) 6.083 2.994 ( -0.981 6.117 1.297) 6.330 3.021 ( -3.356 -0.137 -3.797) 5.069 3.080 ( -1.094 -1.666 -0.440) 2.041 3.145 ( 0.200 7.014 0.992) 7.087 3.209 ( 4.290 4.448 0.229) 6.184 3.312 ( 1.559 0.238 4.074) 4.368 3.413 ( 0.289 -0.997 1.601) 1.908 3.442 ( 1.738 0.276 -1.163) 2.110 3.567 ( 1.219 -0.105 2.885) 3.134 3.666 ( 3.849 -1.212 -1.588) 4.336 3.889 ( -3.971 0.106 -3.143) 5.065 3.948 ( -2.681 0.876 1.209) 3.069 4.063 ( -0.864 0.422 1.847) 2.082 4.098 ( -1.039 0.490 -2.657) 2.894 4.167 ( 2.368 2.595 5.660) 6.661 4.273 ( 9.237 3.669 -3.272) 10.463 4.325 ( -2.519 0.005 -1.929) 3.172 4.393 ( -1.044 3.979 5.366) 6.762 4.692 ( -3.946 2.967 -3.092) 5.825 4.849 ( -2.164 1.720 1.076) 2.966 4.998 ( -8.190 5.154 -0.246) 9.680 5.080 ( -2.390 8.235 1.275) 8.669 5.198 ( 0.503 8.170 -3.263) 8.812 5.287 ( 2.564 0.077 1.686) 3.070 5.435 ( -0.891 2.166 3.836) 4.494 5.469 ( 6.279 2.187 -1.761) 6.878 5.704 ( -5.370 0.510 -1.934) 5.730 5.891 ( -0.816 2.319 0.467) 2.503 5.920 ( 2.029 -0.462 -0.565) 2.156 5.969 ( -0.297 2.786 4.043) 4.919 6.040 ( 2.728 2.475 -0.359) 3.701 6.100 ( 0.111 -2.689 -2.574) 3.724 6.175 ( -5.812 3.970 -6.276) 9.430 6.302 ( -4.821 -7.121 2.704) 9.014 6.541 ( 5.288 -3.427 -1.226) 6.420 6.635 ( 2.984 -4.995 -0.460) 5.837 6.957 ( 0.234 -9.641 -0.547) 9.660 7.033 ( -0.771 -12.541 0.654) 12.581 7.385 ( -2.601 0.087 -3.204) 4.128 7.494 ( -3.281 1.374 2.545) 4.373 7.635 ( 3.971 -6.367 0.704) 7.537 7.743 ( 3.634 -4.318 0.738) 5.692 8.028 ( -3.970 0.026 3.398) 5.225 8.127 ( -1.331 -1.955 -3.299) 4.059 8.164 ( -5.178 4.455 -3.417) 7.638 8.287 ( -5.599 -0.168 1.213) 5.731 8.421 ( -3.093 -2.613 4.223) 5.850 8.544 ( 3.716 -3.001 -3.872) 6.149 8.556 ( 1.687 -2.648 -3.321) 4.570 8.633 ( 1.905 -4.718 2.333) 5.597 8.989 ( -0.358 6.194 -2.523) 6.698 9.034 ( -1.179 1.744 2.145) 3.006 9.160 ( -1.057 1.953 -2.028) 3.007 9.197 ( -4.808 -2.136 2.823) 5.971 9.800 ( 0.831 4.470 3.721) 5.875 9.935 ( 1.625 -1.038 -0.523) 1.998 10.094 ( 7.516 -3.797 1.387) 8.534 10.156 ( 5.368 0.566 -1.959) 5.743 10.289 ( -3.871 -0.843 -2.893) 4.905 10.416 ( -3.044 6.136 -0.716) 6.886 10.469 ( -2.596 -2.700 -0.161) 3.749 10.571 ( 0.081 -0.546 2.129) 2.200 10.671 ( 4.310 -1.410 1.148) 4.678 10.812 ( -0.422 -5.332 2.439) 5.879 10.906 ( 6.329 -0.932 -7.409) 9.789 10.988 ( -0.548 -4.394 4.601) 6.386 11.118 ( -1.169 0.038 3.441) 3.634 11.216 ( 0.562 4.702 -1.679) 5.025 11.292 ( 2.802 -1.139 -2.021) 3.638 11.450 ( 1.442 -3.759 2.099) 4.540 11.765 ( -3.781 5.812 -4.045) 8.027 11.878 ( 1.561 3.391 2.918) 4.738 12.171 ( -6.543 -1.782 1.291) 6.903 12.249 ( -0.620 -2.346 -1.008) 2.628 13.153 ( -4.789 0.102 2.793) 5.545 13.239 ( -1.337 0.593 -2.147) 2.598 13.372 ( 4.036 -3.681 0.486) 5.484 13.432 ( 6.704 -4.231 -2.978) 8.468 13.732 ( 1.810 -2.129 -1.026) 2.977 13.872 ( 1.341 -3.989 5.765) 7.138 14.204 ( -7.095 2.036 -5.469) 9.187 14.328 ( -7.669 -6.024 0.924) 9.796 14.539 ( 1.442 0.795 -0.645) 1.769 14.589 ( -5.294 -2.267 3.660) 6.823 14.703 ( 3.741 -0.124 0.214) 3.749 14.849 ( 1.747 -2.954 -0.288) 3.444 15.415 ( -1.695 2.883 -1.786) 3.792 15.500 ( 0.375 2.141 -0.915) 2.358 15.587 ( 4.107 0.108 -2.427) 4.772 15.656 ( 3.717 0.291 4.022) 5.484 16.461 ( 0.722 1.771 0.850) 2.093 16.475 ( 1.150 0.148 -1.360) 1.788 16.770 ( -6.688 -5.735 -1.197) 8.891 16.816 ( -5.235 -4.416 0.716) 6.886 17.061 ( 0.249 -0.921 0.853) 1.280 17.080 ( 0.295 0.320 1.032) 1.120 17.196 ( 0.521 -0.170 0.088) 0.555 17.249 ( 3.377 2.135 -0.623) 4.043 17.527 ( -2.773 -3.798 -0.364) 4.717 17.607 ( 0.360 -4.079 0.340) 4.109 17.733 ( 1.473 0.906 0.576) 1.823 17.770 ( 5.739 0.468 0.099) 5.759 17.799 ( 5.451 3.034 -1.316) 6.375 17.803 ( -1.172 0.737 0.268) 1.410 17.951 ( 8.535 -4.270 0.476) 9.555 18.034 ( 8.936 -3.495 -1.275) 9.679 18.294 ( -5.874 4.244 1.060) 7.324 18.341 ( -3.367 2.008 -0.757) 3.993 18.667 ( -6.613 -2.625 -1.902) 7.364 18.766 ( -4.944 -3.804 1.209) 6.354 19.170 ( -0.875 6.975 -2.930) 7.616 19.230 ( -2.251 4.767 2.394) 5.790 19.402 ( -0.172 1.797 1.610) 2.419 19.449 ( 1.913 0.417 -1.659) 2.567 19.631 ( 3.731 -2.644 0.270) 4.581 19.670 ( 3.462 -2.465 0.407) 4.269 19.764 ( -1.005 -1.665 0.256) 1.962 19.848 ( 0.506 -2.409 -0.178) 2.468 20.678 ( 3.007 4.281 -5.620) 7.678 20.686 ( 0.282 4.461 5.621) 7.181 20.875 ( 1.228 -0.712 -0.076) 1.421 20.920 ( 2.761 -0.848 0.455) 2.924 21.147 ( -3.319 -5.801 1.156) 6.783 21.164 ( -1.770 -4.084 -2.103) 4.923 21.571 ( 0.192 -8.086 4.109) 9.072 21.589 ( 2.366 -7.823 -3.536) 8.905 22.660 ( -0.222 -1.916 0.010) 1.929 22.692 ( -0.280 -1.487 -0.479) 1.587 22.776 ( 2.572 -4.012 -0.108) 4.767 22.831 ( 3.260 -2.492 -0.734) 4.169 23.206 ( -1.683 -0.514 1.776) 2.501 23.285 ( 2.485 -2.224 -1.733) 3.758 23.356 ( -0.102 -1.143 -0.297) 1.185 23.366 ( 0.803 -1.699 -1.003) 2.130 23.978 ( -0.685 -0.356 0.501) 0.920 24.018 ( -0.529 1.646 3.512) 3.915 24.302 ( -7.725 -3.844 -1.684) 8.791 24.396 ( -5.076 -11.172 -1.772) 12.399 25.200 ( -0.117 4.060 1.333) 4.275 25.284 ( 3.545 4.463 -0.513) 5.723 25.341 ( -0.429 0.669 -2.804) 2.914 25.443 ( 1.765 0.274 2.815) 3.334 26.430 ( -0.156 4.993 -1.322) 5.167 26.501 ( -0.507 4.641 1.095) 4.796 26.795 ( 2.164 1.080 3.733) 4.448 26.964 ( 5.770 -4.176 -4.351) 8.346 27.391 ( -2.297 5.213 0.882) 5.765 27.469 ( -0.639 5.331 -0.517) 5.394 27.581 ( 4.710 -3.764 -3.025) 6.746 27.620 ( 3.333 -2.679 1.370) 4.491 27.903 ( -3.054 3.377 -2.164) 5.041 28.050 ( -6.188 4.796 0.075) 7.829 28.104 ( -0.790 -2.248 -0.191) 2.391 28.147 ( -4.581 -1.031 1.372) 4.892 28.560 ( 5.421 4.886 6.939) 10.071 28.794 ( 10.060 6.688 -0.994) 12.121 29.278 ( 1.865 6.689 -4.940) 8.522 29.355 ( 4.463 6.668 1.606) 8.183 29.625 ( -5.712 16.523 -8.022) 19.235 29.759 ( -5.021 11.984 13.615) 18.820 29.880 ( -0.298 -1.005 -1.212) 1.603 30.056 ( 5.416 -4.059 -6.880) 9.651 30.605 ( -6.004 2.855 1.094) 6.738 30.717 ( -3.235 1.792 2.229) 4.318 30.800 ( 0.182 6.667 -2.184) 7.018 30.953 ( 2.578 10.675 5.544) 12.302 31.245 ( -3.187 -5.344 -3.819) 7.300 31.377 ( 1.650 -4.199 6.374) 7.809 31.526 ( -6.050 -7.489 -0.448) 9.638 31.660 ( -6.647 -6.615 -1.752) 9.540 32.138 ( 4.988 -1.792 -1.644) 5.549 32.194 ( 6.174 -3.083 1.457) 7.053 32.378 ( 0.323 -3.877 -2.834) 4.813 32.426 ( 0.239 -4.285 4.254) 6.043 36.876 ( 0.471 -1.268 -0.180) 1.364 36.884 ( 0.378 -1.184 0.401) 1.306 37.394 ( 4.083 -3.057 2.602) 5.726 37.458 ( 6.089 -4.020 -2.328) 7.658 39.515 ( 0.952 2.824 -2.766) 4.066 39.530 ( -0.128 2.444 3.822) 4.538 40.520 ( -3.419 10.891 -0.236) 11.418 40.685 ( 0.389 5.453 -1.795) 5.754 ======================= Grid point 105 (49/55) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 6.381 2.675 0.708) 6.955 1.365 ( 0.437 3.758 0.521) 3.819 1.480 ( -0.204 8.972 -2.440) 9.301 1.563 ( -6.307 7.271 0.018) 9.626 1.701 ( 1.303 11.008 5.008) 12.163 1.768 ( -0.431 6.860 -4.251) 8.082 1.897 ( 4.346 8.262 -1.022) 9.391 2.008 ( -3.661 6.772 -0.227) 7.702 2.100 ( -1.957 -0.613 2.437) 3.185 2.170 ( -5.051 -0.806 -3.041) 5.951 2.305 ( 3.177 2.695 0.969) 4.277 2.390 ( 6.790 -0.019 -1.390) 6.931 2.412 ( -5.217 3.211 0.367) 6.137 2.484 ( -2.982 -2.063 0.135) 3.628 2.568 ( 4.118 -1.054 1.103) 4.391 2.647 ( -4.166 -0.322 0.865) 4.267 2.713 ( 4.619 0.472 1.903) 5.018 2.759 ( -0.086 0.511 2.177) 2.238 2.777 ( -1.329 1.274 -1.703) 2.508 2.792 ( -1.513 0.458 -2.889) 3.294 2.855 ( 2.051 0.752 -0.010) 2.184 2.926 ( -4.161 2.320 -2.316) 5.297 3.008 ( 3.620 4.367 -1.598) 5.894 3.023 ( 4.157 2.491 0.714) 4.898 3.054 ( -1.173 -0.506 1.106) 1.690 3.123 ( -3.789 4.288 0.973) 5.804 3.309 ( 6.057 3.362 -3.424) 7.728 3.361 ( 2.785 3.016 2.771) 4.953 3.398 ( -3.516 0.428 2.697) 4.452 3.432 ( -2.515 1.233 -1.143) 3.025 3.647 ( 2.457 -0.488 6.776) 7.224 3.700 ( 0.915 -0.623 -5.594) 5.703 3.842 ( 0.754 -2.429 1.387) 2.897 3.909 ( -1.719 -2.284 -1.339) 3.157 4.016 ( -1.703 -0.661 0.392) 1.868 4.053 ( -2.602 0.296 -1.965) 3.274 4.250 ( 2.105 2.640 3.562) 4.908 4.298 ( -1.135 1.667 -2.995) 3.610 4.413 ( 9.292 3.901 4.248) 10.937 4.520 ( 7.659 7.084 5.237) 11.674 4.612 ( -4.231 6.064 -4.071) 8.441 4.697 ( -10.129 3.636 -3.482) 11.312 4.917 ( 0.825 5.922 1.504) 6.165 5.010 ( -5.933 6.589 -1.055) 8.929 5.210 ( 5.365 2.873 -4.031) 7.300 5.298 ( -3.135 0.368 2.653) 4.123 5.448 ( 2.921 1.615 -0.109) 3.340 5.549 ( -5.684 -0.842 3.935) 6.965 5.669 ( 7.621 8.341 -1.812) 11.443 5.827 ( -6.849 8.696 -0.372) 11.076 5.949 ( 2.491 2.956 -0.336) 3.880 5.968 ( -0.414 1.368 -1.617) 2.158 6.000 ( -3.664 2.184 -0.939) 4.368 6.044 ( -4.825 -1.592 -0.159) 5.083 6.195 ( 5.703 -2.957 4.081) 7.611 6.263 ( 0.296 -3.961 -3.454) 5.263 6.603 ( 1.437 -1.568 -1.442) 2.569 6.625 ( -1.470 -2.338 0.531) 2.812 6.995 ( 1.430 -10.749 0.805) 10.874 7.015 ( -0.640 -11.711 -0.632) 11.746 7.383 ( 3.016 -0.084 -0.672) 3.091 7.444 ( -2.622 -0.732 0.359) 2.746 7.717 ( 2.469 -2.572 1.792) 3.990 7.758 ( -1.367 -1.501 -1.089) 2.304 7.993 ( -1.651 -1.029 3.219) 3.761 8.041 ( -5.384 0.957 -2.292) 5.930 8.121 ( 3.285 -0.352 -1.710) 3.721 8.193 ( -3.725 -1.172 -0.110) 3.907 8.411 ( 3.033 -9.072 0.883) 9.606 8.518 ( -4.584 -7.472 -0.913) 8.814 8.613 ( 3.259 -5.459 -2.278) 6.753 8.645 ( -0.804 -7.357 1.034) 7.473 8.993 ( 1.726 6.412 -1.649) 6.842 9.069 ( -6.999 0.650 2.630) 7.505 9.084 ( 2.796 4.292 1.175) 5.255 9.121 ( -0.967 5.840 -0.886) 5.986 9.866 ( 3.226 3.111 2.773) 5.270 9.925 ( -1.433 -0.284 -1.730) 2.264 10.226 ( 3.257 -0.920 1.508) 3.705 10.243 ( 4.398 -6.360 4.020) 8.715 10.267 ( 1.748 -2.143 -5.661) 6.301 10.353 ( -4.855 -3.924 -2.190) 6.616 10.460 ( 3.506 4.729 -3.351) 6.774 10.545 ( -5.038 4.018 4.956) 8.130 10.698 ( 1.165 -0.459 -5.324) 5.469 10.733 ( -5.400 -4.693 5.410) 8.969 10.977 ( 2.087 2.527 4.179) 5.310 11.022 ( 2.822 -3.027 -2.523) 4.847 11.186 ( 4.263 3.413 -4.787) 7.262 11.241 ( -0.012 0.817 6.294) 6.347 11.359 ( 2.736 0.093 -1.043) 2.930 11.409 ( -3.774 -4.538 -0.031) 5.902 11.748 ( 6.434 5.216 -4.847) 9.596 11.941 ( -8.698 5.298 2.787) 10.559 12.028 ( 3.251 1.106 2.825) 4.447 12.175 ( -6.029 1.726 -1.965) 6.572 13.120 ( 0.590 -1.832 2.193) 2.918 13.176 ( -3.113 -0.978 -2.658) 4.208 13.453 ( 5.617 -6.540 -3.708) 9.384 13.530 ( -1.353 -5.567 4.455) 7.257 13.815 ( 7.636 -2.407 -1.616) 8.168 13.922 ( 0.386 -6.070 1.059) 6.174 14.068 ( -2.946 -0.443 0.147) 2.983 14.147 ( -8.444 -7.461 -0.436) 11.276 14.561 ( 1.602 1.493 0.581) 2.266 14.581 ( 0.100 -0.081 0.859) 0.868 14.743 ( 0.902 1.176 1.818) 2.346 14.807 ( -4.262 0.870 -2.059) 4.813 15.434 ( 3.295 0.813 1.624) 3.762 15.497 ( -0.663 -0.712 -3.273) 3.415 15.652 ( 3.426 2.379 -1.613) 4.472 15.697 ( -1.367 1.265 2.635) 3.227 16.491 ( 1.124 -0.393 1.053) 1.590 16.495 ( 1.929 -0.110 -1.556) 2.480 16.652 ( -3.191 -3.849 0.053) 5.000 16.696 ( -6.057 -2.780 -0.051) 6.664 17.087 ( 1.239 -2.413 1.340) 3.025 17.096 ( 0.708 -1.912 0.124) 2.043 17.199 ( 1.212 -4.478 -1.979) 5.044 17.244 ( -3.232 -4.143 1.299) 5.413 17.569 ( 4.974 1.706 0.809) 5.320 17.636 ( 0.244 0.274 -1.122) 1.181 17.748 ( 0.982 1.247 0.458) 1.652 17.781 ( -1.233 1.309 -0.200) 1.809 17.905 ( 6.671 2.849 1.176) 7.348 17.925 ( 6.932 4.448 -0.973) 8.294 18.057 ( -0.828 0.762 -0.406) 1.196 18.111 ( -5.340 2.594 -0.129) 5.938 18.254 ( 6.251 -1.801 -0.865) 6.562 18.316 ( 2.436 -1.290 1.917) 3.358 18.522 ( -4.827 -5.910 -2.363) 7.988 18.607 ( -10.256 -6.201 0.997) 12.027 19.160 ( 0.905 7.443 -2.137) 7.797 19.184 ( -2.373 6.674 1.228) 7.189 19.437 ( 2.036 1.576 2.026) 3.276 19.469 ( 0.180 1.267 -1.553) 2.013 19.695 ( 2.109 -3.644 -0.361) 4.225 19.707 ( 0.310 -3.677 0.931) 3.806 19.786 ( 2.301 -2.032 0.341) 3.088 19.831 ( -1.797 -2.513 -0.410) 3.117 20.712 ( 2.548 5.173 -5.436) 7.925 20.715 ( -0.319 4.976 5.295) 7.273 20.921 ( 2.981 -1.249 1.261) 3.470 20.966 ( 0.761 -0.753 -1.106) 1.539 21.084 ( -1.995 -5.668 0.688) 6.048 21.109 ( -2.662 -4.160 -1.116) 5.063 21.599 ( 0.306 -8.609 4.044) 9.516 21.610 ( 1.203 -8.457 -3.743) 9.326 22.664 ( 0.314 -1.506 0.687) 1.685 22.677 ( -0.578 -1.303 -1.044) 1.767 22.838 ( 2.792 -3.764 0.467) 4.709 22.869 ( 0.371 -3.014 -0.727) 3.123 23.217 ( 2.172 1.218 2.393) 3.453 23.289 ( -2.239 0.707 -3.436) 4.161 23.353 ( 0.867 -1.795 1.271) 2.364 23.373 ( 0.046 -2.406 -1.402) 2.785 24.004 ( 2.225 -1.598 2.191) 3.508 24.036 ( 0.615 -1.272 2.187) 2.604 24.168 ( -2.947 -2.937 -1.003) 4.280 24.247 ( -7.607 -9.408 -2.621) 12.380 25.231 ( 2.119 3.795 2.084) 4.820 25.286 ( -1.845 3.175 -2.597) 4.498 25.385 ( 4.387 4.107 -0.551) 6.035 25.450 ( -2.138 3.438 1.510) 4.321 26.450 ( 2.161 4.487 -1.172) 5.116 26.484 ( -1.589 4.648 1.066) 5.026 26.888 ( 3.848 -4.380 6.019) 8.379 26.977 ( -1.400 -6.866 -6.408) 9.495 27.393 ( 1.567 4.061 2.075) 4.822 27.444 ( -1.721 3.607 -2.299) 4.611 27.650 ( 2.902 -5.023 -1.265) 5.937 27.671 ( 0.994 -2.269 0.073) 2.479 27.895 ( 2.435 0.859 -0.122) 2.585 27.950 ( -2.783 -0.350 0.239) 2.815 28.042 ( -3.181 0.663 -3.547) 4.810 28.052 ( -4.810 -0.822 3.469) 5.987 28.771 ( 9.061 4.157 8.705) 13.235 28.900 ( 0.511 5.741 -3.984) 7.007 29.310 ( 3.850 8.434 -2.369) 9.569 29.413 ( -3.550 10.571 -5.347) 12.367 29.556 ( 5.878 12.792 1.023) 14.116 29.691 ( -7.013 11.163 7.268) 15.054 29.912 ( 4.854 -0.317 -2.719) 5.573 30.034 ( -5.560 -3.138 -1.987) 6.687 30.543 ( 1.538 3.306 -2.965) 4.700 30.616 ( -6.721 1.718 5.286) 8.721 30.865 ( 5.529 5.017 -1.301) 7.579 30.969 ( -4.404 7.377 2.032) 8.828 31.220 ( 3.918 -2.756 2.316) 5.321 31.358 ( -6.184 -2.230 -1.483) 6.739 31.490 ( 1.316 -4.683 1.097) 4.987 31.538 ( -3.221 -4.117 -1.828) 5.538 32.218 ( 3.259 -3.235 0.021) 4.592 32.256 ( 0.053 -4.080 -0.766) 4.151 32.396 ( 2.636 -3.757 -2.440) 5.198 32.431 ( -1.929 -4.080 4.069) 6.076 36.885 ( 0.438 -0.979 -0.140) 1.082 36.889 ( -0.021 -0.882 0.216) 0.908 37.500 ( 3.669 -5.721 3.605) 7.693 37.534 ( 2.088 -6.162 -3.127) 7.219 39.525 ( 1.428 2.768 -3.023) 4.340 39.537 ( -1.133 2.469 3.688) 4.580 40.524 ( 3.328 8.701 1.802) 9.489 40.626 ( -4.539 5.513 -2.885) 7.702 ======================= Grid point 108 (50/55) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.059 5.884 -2.947) 6.581 1.422 ( -0.059 5.884 2.947) 6.581 1.776 ( -1.365 10.326 -5.746) 11.896 1.776 ( 1.365 10.326 5.746) 11.896 1.920 ( -0.585 6.625 -3.402) 7.470 1.920 ( 0.585 6.625 3.402) 7.470 2.037 ( -3.820 0.968 -5.279) 6.588 2.037 ( 3.820 0.968 5.279) 6.588 2.205 ( 1.696 4.218 -5.202) 6.909 2.205 ( -1.696 4.218 5.202) 6.909 2.394 ( -1.421 -3.106 -2.329) 4.134 2.394 ( 1.421 -3.106 2.329) 4.134 2.470 ( -2.674 2.488 -1.278) 3.870 2.470 ( 2.674 2.488 1.278) 3.870 2.640 ( -1.280 -2.338 -1.267) 2.951 2.640 ( 1.280 -2.338 1.267) 2.951 2.698 ( -1.523 -1.116 -0.628) 1.989 2.698 ( 1.523 -1.116 0.628) 1.989 2.776 ( -1.639 1.624 -2.040) 3.080 2.776 ( 1.639 1.624 2.040) 3.080 2.885 ( -0.125 0.193 -0.802) 0.834 2.885 ( 0.125 0.193 0.802) 0.834 3.092 ( -1.264 2.644 -2.197) 3.663 3.092 ( 1.264 2.644 2.197) 3.663 3.196 ( 1.865 3.169 -1.450) 3.952 3.196 ( -1.865 3.169 1.450) 3.952 3.296 ( -1.620 7.379 -4.063) 8.578 3.296 ( 1.620 7.379 4.063) 8.578 3.437 ( -1.758 1.721 -0.633) 2.540 3.437 ( 1.758 1.721 0.633) 2.540 3.582 ( -1.193 -1.062 -0.903) 1.835 3.582 ( 1.193 -1.062 0.903) 1.835 4.006 ( -0.893 2.812 -2.596) 3.930 4.006 ( 0.893 2.812 2.596) 3.930 4.110 ( 0.065 1.416 -3.483) 3.761 4.110 ( -0.065 1.416 3.483) 3.761 4.218 ( 2.160 4.773 -2.525) 5.816 4.218 ( -2.160 4.773 2.525) 5.816 4.395 ( -3.446 -2.180 -4.644) 6.180 4.395 ( 3.446 -2.180 4.644) 6.180 4.821 ( -2.389 1.897 -2.929) 4.229 4.821 ( 2.389 1.897 2.929) 4.229 5.162 ( -2.676 -2.123 -2.186) 4.055 5.162 ( 2.676 -2.123 2.186) 4.055 5.241 ( 0.281 0.176 -1.306) 1.348 5.241 ( -0.281 0.176 1.306) 1.348 5.572 ( -1.453 10.085 -0.746) 10.216 5.572 ( 1.453 10.085 0.746) 10.216 5.771 ( -1.960 -3.006 -6.181) 7.147 5.771 ( 1.960 -3.006 6.181) 7.147 5.959 ( 1.641 0.353 -3.753) 4.111 5.959 ( -1.641 0.353 3.753) 4.111 6.069 ( 0.184 1.664 -2.494) 3.004 6.069 ( -0.184 1.664 2.494) 3.004 6.289 ( 0.639 -1.902 -3.181) 3.761 6.289 ( -0.639 -1.902 3.181) 3.761 6.441 ( -4.314 -1.689 -3.461) 5.783 6.441 ( 4.314 -1.689 3.461) 5.783 6.736 ( -1.920 -14.027 -1.554) 14.242 6.736 ( 1.920 -14.027 1.554) 14.242 7.496 ( -4.495 0.955 -4.716) 6.584 7.496 ( 4.495 0.955 4.716) 6.584 7.589 ( 3.093 -1.763 -3.847) 5.242 7.589 ( -3.093 -1.763 3.847) 5.242 8.060 ( 2.299 -0.207 -3.965) 4.588 8.060 ( -2.299 -0.207 3.965) 4.588 8.259 ( -2.296 -5.107 -3.658) 6.689 8.259 ( 2.296 -5.107 3.658) 6.689 8.501 ( 0.918 1.153 -3.902) 4.171 8.501 ( -0.918 1.153 3.902) 4.171 8.536 ( -0.134 -0.749 -4.368) 4.434 8.536 ( 0.134 -0.749 4.368) 4.434 9.128 ( 2.376 1.596 -2.895) 4.071 9.128 ( -2.376 1.596 2.895) 4.071 9.176 ( -2.762 1.319 -3.180) 4.413 9.176 ( 2.762 1.319 3.180) 4.413 9.868 ( -0.581 2.166 -3.127) 3.848 9.868 ( 0.581 2.166 3.127) 3.848 10.078 ( 1.575 0.049 -1.153) 1.952 10.078 ( -1.575 0.049 1.153) 1.952 10.392 ( -4.294 -2.784 0.488) 5.141 10.392 ( 4.294 -2.784 -0.488) 5.141 10.537 ( -6.166 1.110 -1.286) 6.395 10.537 ( 6.166 1.110 1.286) 6.395 10.688 ( -2.200 3.329 -3.347) 5.208 10.688 ( 2.200 3.329 3.347) 5.208 10.828 ( -0.759 -4.738 -7.243) 8.689 10.828 ( 0.759 -4.738 7.243) 8.689 11.179 ( -1.748 -0.010 -1.450) 2.271 11.179 ( 1.748 -0.010 1.450) 2.271 11.378 ( -2.583 3.324 -1.956) 4.642 11.378 ( 2.583 3.324 1.956) 4.642 11.914 ( 0.425 1.849 -3.435) 3.924 11.914 ( -0.425 1.849 3.435) 3.924 12.117 ( 0.217 -5.988 -4.112) 7.268 12.117 ( -0.217 -5.988 4.112) 7.268 13.227 ( -0.974 -0.986 -4.649) 4.852 13.227 ( 0.974 -0.986 4.649) 4.852 13.281 ( 3.822 -2.413 -6.313) 7.765 13.281 ( -3.822 -2.413 6.313) 7.765 13.845 ( -4.302 5.289 -2.717) 7.339 13.845 ( 4.302 5.289 2.717) 7.339 14.288 ( -0.356 -7.043 -3.114) 7.709 14.288 ( 0.356 -7.043 3.114) 7.709 14.568 ( 1.069 1.769 -2.476) 3.225 14.568 ( -1.069 1.769 2.476) 3.225 14.682 ( 2.602 -2.797 -1.966) 4.296 14.682 ( -2.602 -2.797 1.966) 4.296 15.513 ( -1.304 1.130 -6.504) 6.729 15.513 ( 1.304 1.130 6.504) 6.729 15.549 ( -1.826 -0.990 -6.830) 7.138 15.549 ( 1.826 -0.990 6.830) 7.138 16.512 ( 0.903 3.747 -2.370) 4.524 16.512 ( -0.903 3.747 2.370) 4.524 16.735 ( -1.485 -6.477 -1.095) 6.735 16.735 ( 1.485 -6.477 1.095) 6.735 17.157 ( -2.295 4.279 -2.100) 5.290 17.157 ( 2.295 4.279 2.100) 5.290 17.217 ( -4.042 2.510 0.561) 4.790 17.217 ( 4.042 2.510 -0.561) 4.790 17.528 ( -2.294 -4.796 -1.868) 5.635 17.528 ( 2.294 -4.796 1.868) 5.635 17.593 ( -0.148 -5.923 -2.089) 6.283 17.593 ( 0.148 -5.923 2.089) 6.283 17.800 ( 0.619 2.332 -0.653) 2.500 17.800 ( -0.619 2.332 0.653) 2.500 17.880 ( -2.658 -0.200 -0.452) 2.704 17.880 ( 2.658 -0.200 0.452) 2.704 18.456 ( 0.192 5.203 -1.021) 5.306 18.456 ( -0.192 5.203 1.021) 5.306 18.695 ( -1.551 -5.633 -2.081) 6.202 18.695 ( 1.551 -5.633 2.081) 6.202 19.331 ( -0.075 5.405 -2.646) 6.019 19.331 ( 0.075 5.405 2.646) 6.019 19.422 ( 1.609 -0.253 -1.908) 2.509 19.422 ( -1.609 -0.253 1.908) 2.509 19.586 ( -0.115 -0.005 -0.296) 0.317 19.586 ( 0.115 -0.005 0.296) 0.317 19.789 ( -0.850 -0.679 -1.390) 1.765 19.789 ( 0.850 -0.679 1.390) 1.765 20.720 ( 0.277 1.416 -2.412) 2.811 20.720 ( -0.277 1.416 2.412) 2.811 20.863 ( -0.752 -0.781 -1.401) 1.771 20.863 ( 0.752 -0.781 1.401) 1.771 21.099 ( 1.475 -2.836 -1.888) 3.712 21.099 ( -1.475 -2.836 1.888) 3.712 21.429 ( 1.217 -5.581 -3.720) 6.817 21.429 ( -1.217 -5.581 3.720) 6.817 22.639 ( -0.610 -1.521 -0.739) 1.798 22.639 ( 0.610 -1.521 0.739) 1.798 22.723 ( -1.765 -1.994 -0.597) 2.729 22.723 ( 1.765 -1.994 0.597) 2.729 23.221 ( 1.106 -0.107 -2.690) 2.910 23.221 ( -1.106 -0.107 2.690) 2.910 23.304 ( 0.062 -3.165 -1.018) 3.325 23.304 ( -0.062 -3.165 1.018) 3.325 24.054 ( -0.638 3.031 -3.327) 4.546 24.054 ( 0.638 3.031 3.327) 4.546 24.269 ( 0.379 -6.752 -1.832) 7.006 24.269 ( -0.379 -6.752 1.832) 7.006 25.301 ( -1.040 3.430 -0.920) 3.700 25.301 ( 1.040 3.430 0.920) 3.700 25.377 ( -1.219 0.093 -2.656) 2.924 25.377 ( 1.219 0.093 2.656) 2.924 26.563 ( -0.739 4.204 -2.763) 5.084 26.563 ( 0.739 4.204 2.763) 5.084 26.812 ( 1.368 -3.103 -3.516) 4.885 26.812 ( -1.368 -3.103 3.516) 4.885 27.504 ( 2.380 2.180 -2.372) 4.006 27.504 ( -2.380 2.180 2.372) 4.006 27.599 ( 0.002 2.985 -3.343) 4.482 27.599 ( -0.002 2.985 3.343) 4.482 28.062 ( -3.808 1.907 -1.427) 4.491 28.062 ( 3.808 1.907 1.427) 4.491 28.190 ( 0.778 1.008 -2.402) 2.719 28.190 ( -0.778 1.008 2.402) 2.719 28.654 ( -7.223 1.692 0.615) 7.444 28.654 ( 7.223 1.692 -0.615) 7.444 29.371 ( -1.525 2.309 -0.995) 2.941 29.371 ( 1.525 2.309 0.995) 2.941 29.925 ( 6.787 3.564 -11.219) 13.588 29.925 ( -6.787 3.564 11.219) 13.588 29.969 ( 7.269 4.746 -18.140) 20.110 29.969 ( -7.269 4.746 18.140) 20.110 30.750 ( 1.712 3.823 -2.118) 4.694 30.750 ( -1.712 3.823 2.118) 4.694 31.025 ( -6.145 4.456 -4.155) 8.653 31.025 ( 6.145 4.456 4.155) 8.653 31.194 ( -2.456 -5.318 -5.466) 8.012 31.194 ( 2.456 -5.318 5.466) 8.012 31.500 ( -3.898 -6.870 0.517) 7.916 31.500 ( 3.898 -6.870 -0.517) 7.916 32.124 ( -0.830 2.733 -3.634) 4.622 32.124 ( 0.830 2.733 3.634) 4.622 32.313 ( -0.327 -4.265 -4.134) 5.948 32.313 ( 0.327 -4.265 4.134) 5.948 36.851 ( -0.158 -0.897 -0.136) 0.921 36.851 ( 0.158 -0.897 0.136) 0.921 37.332 ( 1.482 -1.609 -1.107) 2.452 37.332 ( -1.482 -1.609 1.107) 2.452 39.563 ( 0.149 1.846 -1.438) 2.344 39.563 ( -0.149 1.846 1.438) 2.344 40.752 ( -0.396 4.411 -2.985) 5.340 40.752 ( 0.396 4.411 2.985) 5.340 ======================= Grid point 110 (51/55) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -3.077 7.397 0.657) 8.038 1.439 ( -0.905 3.216 0.221) 3.349 1.731 ( -0.530 12.033 -2.164) 12.237 1.807 ( -2.236 4.652 -1.333) 5.331 1.854 ( -3.816 3.365 -1.858) 5.416 1.920 ( -0.719 6.295 -0.228) 6.340 2.007 ( 2.797 7.989 -2.422) 8.804 2.120 ( -0.082 3.973 3.526) 5.312 2.190 ( 0.028 0.887 1.787) 1.995 2.243 ( 2.372 0.503 -2.690) 3.622 2.327 ( -4.165 -0.929 -1.673) 4.584 2.386 ( -2.464 4.765 1.638) 5.609 2.417 ( -0.304 0.348 1.666) 1.729 2.530 ( 0.898 0.464 1.113) 1.504 2.602 ( -4.362 1.570 0.411) 4.654 2.623 ( -0.784 -2.320 1.708) 2.986 2.672 ( -1.515 -2.806 0.324) 3.205 2.710 ( 1.007 -3.406 0.420) 3.576 2.782 ( 1.899 -1.413 -1.160) 2.636 2.801 ( -1.798 1.267 0.206) 2.209 2.837 ( 0.384 -0.713 -0.471) 0.937 2.945 ( 1.950 -2.160 -2.232) 3.667 3.059 ( -0.234 4.003 -1.114) 4.162 3.111 ( 0.633 5.525 0.510) 5.584 3.171 ( -0.703 4.937 -1.551) 5.222 3.241 ( 0.219 4.159 1.174) 4.328 3.276 ( 1.838 2.605 -1.816) 3.669 3.360 ( 1.854 6.205 2.382) 6.901 3.410 ( -0.045 0.130 0.472) 0.491 3.467 ( 0.766 1.738 2.819) 3.399 3.566 ( 0.796 0.292 0.955) 1.277 3.636 ( 3.500 -2.709 0.153) 4.428 3.914 ( -5.142 2.451 -3.587) 6.732 3.980 ( -4.224 1.494 -1.799) 4.828 4.081 ( -4.165 1.322 3.620) 5.675 4.109 ( -1.492 0.910 -0.815) 1.929 4.235 ( 4.947 3.851 6.820) 9.263 4.303 ( -0.288 -1.230 -2.583) 2.875 4.353 ( 5.854 3.314 -3.529) 7.596 4.443 ( 1.201 0.331 6.064) 6.191 4.762 ( -1.468 3.768 -1.354) 4.264 4.876 ( 1.519 1.285 1.723) 2.632 5.079 ( -8.176 2.373 -1.918) 8.727 5.136 ( -5.509 -5.978 -3.270) 8.763 5.183 ( -0.972 2.184 1.643) 2.901 5.251 ( 1.897 -3.115 3.789) 5.259 5.565 ( -0.964 6.641 -1.431) 6.862 5.618 ( -0.692 5.342 1.366) 5.557 5.714 ( 2.743 3.794 -3.603) 5.908 5.864 ( 3.345 -3.112 4.183) 6.195 5.934 ( 0.148 1.274 0.192) 1.297 5.980 ( 0.566 -1.112 -2.757) 3.026 6.087 ( 0.893 3.344 -0.260) 3.471 6.121 ( 3.693 2.852 -2.391) 5.242 6.217 ( -0.322 0.119 -0.716) 0.794 6.264 ( -4.062 1.934 -2.316) 5.060 6.473 ( 6.116 -2.908 -2.304) 7.154 6.569 ( 3.546 -0.970 1.948) 4.161 6.711 ( 1.863 -14.336 -0.073) 14.456 6.778 ( 1.078 -11.532 -0.014) 11.582 7.395 ( -2.159 1.571 -3.735) 4.592 7.495 ( -3.711 -0.813 0.691) 3.862 7.589 ( 0.969 -0.252 3.382) 3.527 7.645 ( 2.210 -5.918 2.271) 6.713 8.039 ( -1.153 2.281 3.895) 4.659 8.104 ( 2.326 0.844 -2.932) 3.837 8.183 ( -2.614 -2.359 -2.906) 4.566 8.276 ( -3.366 -2.317 0.777) 4.160 8.399 ( -10.302 0.942 1.676) 10.480 8.459 ( -2.710 -4.145 -2.663) 5.623 8.497 ( -1.108 -3.832 -1.896) 4.417 8.538 ( -2.822 -3.630 2.264) 5.125 9.082 ( 1.164 3.862 0.095) 4.035 9.118 ( -0.224 4.769 -0.604) 4.812 9.169 ( 0.019 0.290 -2.838) 2.853 9.217 ( -0.617 0.571 2.981) 3.097 9.846 ( 0.560 1.514 -0.071) 1.616 9.936 ( 2.474 -0.072 1.361) 2.825 10.039 ( 0.265 -0.752 0.195) 0.821 10.138 ( 2.822 -2.733 -1.421) 4.178 10.305 ( -4.169 3.130 -0.132) 5.215 10.398 ( -3.442 -0.084 0.303) 3.456 10.486 ( 3.044 -4.915 -1.038) 5.874 10.597 ( -0.236 6.747 1.049) 6.832 10.626 ( -3.144 -6.915 2.744) 8.077 10.758 ( 2.470 3.947 0.899) 4.742 10.855 ( 6.342 -4.074 -5.460) 9.308 10.936 ( 3.596 -2.683 3.546) 5.718 11.182 ( 4.443 4.891 3.133) 7.313 11.279 ( 5.312 -0.133 -1.129) 5.432 11.313 ( -2.125 4.081 -2.742) 5.356 11.407 ( -1.053 -1.010 -1.064) 1.806 11.856 ( -3.134 3.957 -2.564) 5.662 11.918 ( 1.815 1.540 4.181) 4.811 12.110 ( -1.278 -3.845 -1.420) 4.293 12.173 ( 2.135 -5.150 0.939) 5.654 13.169 ( -4.836 1.080 1.954) 5.326 13.209 ( -0.307 -2.345 1.041) 2.584 13.338 ( 5.305 -1.335 2.651) 6.079 13.383 ( 5.265 -0.883 -5.869) 7.934 13.718 ( -3.090 1.809 -1.389) 3.841 13.843 ( -4.943 0.310 2.619) 5.602 14.137 ( -8.643 -6.798 -2.051) 11.186 14.213 ( -9.756 -5.642 0.072) 11.271 14.556 ( 1.955 0.879 1.211) 2.462 14.584 ( -0.610 0.938 1.993) 2.286 14.704 ( 4.317 0.290 0.124) 4.328 14.781 ( 2.789 -3.340 -0.722) 4.411 15.461 ( -0.953 1.796 -3.564) 4.103 15.511 ( 0.477 -0.718 -4.101) 4.190 15.603 ( 4.583 1.494 2.214) 5.304 15.655 ( 4.414 -0.540 4.443) 6.287 16.492 ( -1.323 1.654 0.565) 2.192 16.512 ( -0.010 3.213 -1.403) 3.506 16.658 ( -4.884 -5.146 -0.574) 7.118 16.718 ( -3.265 -5.303 0.632) 6.260 17.073 ( -3.225 2.168 0.030) 3.886 17.097 ( -4.117 1.663 1.441) 4.668 17.187 ( -3.025 -1.141 0.102) 3.235 17.253 ( -3.435 -2.689 -0.339) 4.375 17.502 ( 5.445 2.430 -0.412) 5.977 17.559 ( 4.526 -0.017 0.587) 4.564 17.710 ( 5.034 -4.047 0.393) 6.471 17.721 ( 7.943 -4.916 -0.686) 9.366 17.839 ( 3.282 2.471 0.717) 4.171 17.866 ( 5.928 3.403 -0.381) 6.846 17.894 ( 5.727 -0.832 0.031) 5.787 17.983 ( 7.624 -2.115 -0.370) 7.920 18.387 ( -5.788 4.185 -0.311) 7.149 18.400 ( -5.822 5.309 -0.110) 7.880 18.588 ( -7.388 -5.184 -1.564) 9.160 18.660 ( -6.333 -6.569 0.719) 9.152 19.315 ( -0.238 6.984 -1.913) 7.245 19.330 ( -0.874 4.889 1.038) 5.073 19.425 ( 0.853 0.338 1.620) 1.861 19.467 ( 2.776 0.828 -0.851) 3.019 19.585 ( 1.497 -1.527 -0.216) 2.149 19.626 ( 2.156 -1.925 -0.619) 2.956 19.756 ( -1.022 0.584 0.634) 1.337 19.811 ( -0.125 -1.675 0.646) 1.800 20.735 ( 2.231 1.358 -0.955) 2.781 20.747 ( 1.673 1.463 1.360) 2.606 20.855 ( 0.659 -0.733 -0.968) 1.381 20.901 ( 2.159 -1.546 0.658) 2.736 21.062 ( -2.837 -1.946 1.362) 3.701 21.099 ( -0.411 -2.272 -2.533) 3.428 21.426 ( -0.207 -5.814 2.522) 6.341 21.446 ( 1.243 -6.210 -1.988) 6.638 22.634 ( 0.457 -0.518 0.347) 0.773 22.669 ( 0.968 -1.074 -0.142) 1.453 22.712 ( 1.514 -1.967 -0.252) 2.495 22.772 ( 2.556 -3.260 -0.030) 4.142 23.209 ( -0.104 1.064 1.647) 1.963 23.252 ( 2.124 -0.795 -1.326) 2.627 23.311 ( 0.969 -2.699 -0.942) 3.018 23.319 ( 0.808 -3.283 0.869) 3.491 23.997 ( -3.276 2.253 -1.505) 4.252 24.053 ( -2.033 1.845 3.214) 4.227 24.211 ( -4.754 -6.297 -2.694) 8.337 24.220 ( -4.734 -5.420 0.778) 7.238 25.283 ( 0.262 3.967 0.563) 4.015 25.354 ( 1.505 0.422 -1.335) 2.055 25.371 ( 3.083 3.954 -0.015) 5.014 25.448 ( 3.794 -0.016 1.369) 4.034 26.531 ( -0.520 5.181 -1.852) 5.527 26.580 ( -0.718 3.386 2.389) 4.206 26.779 ( -0.801 -2.487 2.016) 3.300 26.854 ( 1.401 -6.713 -3.302) 7.611 27.461 ( -2.216 3.548 2.309) 4.779 27.524 ( 0.455 1.500 -1.773) 2.366 27.580 ( -0.228 1.941 -2.920) 3.513 27.637 ( 1.190 0.273 2.275) 2.582 27.955 ( -4.103 2.059 -1.318) 4.776 28.038 ( -6.826 -1.693 1.234) 7.140 28.139 ( -1.862 2.481 -1.188) 3.322 28.181 ( -2.649 3.095 0.174) 4.077 28.660 ( 6.194 5.235 3.980) 9.034 28.844 ( 10.003 -1.617 -2.425) 10.419 29.375 ( 2.451 4.053 -1.232) 4.894 29.444 ( 5.418 1.868 0.105) 5.732 29.818 ( -7.625 6.000 8.286) 12.759 29.902 ( -6.469 3.189 12.880) 14.761 29.965 ( 3.605 5.707 -14.322) 15.833 30.038 ( 4.323 1.182 -10.996) 11.874 30.665 ( -5.349 3.591 2.703) 6.987 30.753 ( -4.934 1.473 3.152) 6.038 30.913 ( -0.714 4.804 -2.630) 5.523 31.125 ( 1.465 4.273 4.008) 6.039 31.141 ( -1.717 -3.094 -2.308) 4.225 31.269 ( 2.342 -5.634 4.851) 7.794 31.428 ( -1.736 -2.582 -1.755) 3.572 31.524 ( -0.970 -6.477 -1.774) 6.786 32.122 ( 1.948 0.939 -1.577) 2.677 32.181 ( 2.443 0.216 0.394) 2.484 32.303 ( 1.242 -3.210 -2.238) 4.105 32.345 ( 0.637 -3.820 4.298) 5.786 36.856 ( 0.674 -0.657 0.065) 0.943 36.863 ( 0.763 -0.899 0.151) 1.189 37.345 ( 2.132 -1.665 1.476) 3.082 37.382 ( 3.571 -3.389 -1.869) 5.266 39.563 ( 0.443 1.896 -1.047) 2.211 39.570 ( 0.023 1.502 1.532) 2.146 40.695 ( -2.444 6.617 -0.721) 7.091 40.765 ( -1.151 2.505 0.113) 2.759 ======================= Grid point 111 (52/55) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 2.606 4.388 0.767) 5.161 1.412 ( -3.001 1.285 0.632) 3.325 1.685 ( -1.439 9.812 0.992) 9.966 1.726 ( -3.478 7.469 -3.839) 9.090 1.852 ( 3.888 5.346 -1.473) 6.772 1.910 ( -1.495 3.524 1.588) 4.145 2.067 ( 1.381 3.863 -1.627) 4.414 2.085 ( 1.583 8.735 1.135) 8.949 2.130 ( -5.294 1.278 -1.873) 5.759 2.189 ( -6.024 3.573 0.484) 7.020 2.326 ( 3.557 -1.631 0.078) 3.914 2.398 ( 0.078 -1.278 0.744) 1.481 2.424 ( 0.493 0.964 -0.519) 1.201 2.487 ( -4.551 4.018 1.554) 6.266 2.562 ( 1.591 -0.060 0.241) 1.610 2.608 ( -2.696 -2.791 0.865) 3.975 2.676 ( 2.428 -2.851 1.402) 3.998 2.721 ( -1.134 -4.031 0.888) 4.281 2.768 ( 0.485 -0.124 0.049) 0.503 2.800 ( -0.233 -1.095 -2.731) 2.951 2.858 ( 1.490 -1.635 0.374) 2.244 2.910 ( -3.295 -3.307 -1.494) 4.902 3.078 ( 1.802 5.426 0.533) 5.742 3.119 ( -1.319 5.763 -0.735) 5.958 3.160 ( 2.003 5.125 -2.089) 5.886 3.211 ( -3.362 3.653 1.989) 5.349 3.328 ( 3.294 -0.962 -0.794) 3.522 3.375 ( -1.255 -1.321 0.898) 2.031 3.439 ( 3.905 4.203 -3.837) 6.902 3.484 ( -1.790 3.523 4.951) 6.334 3.640 ( 4.086 0.131 5.761) 7.064 3.709 ( 2.286 -0.575 -2.292) 3.288 3.808 ( -2.379 -0.007 0.111) 2.381 3.874 ( -4.389 -1.022 -4.452) 6.335 4.025 ( -1.369 1.725 2.206) 3.117 4.055 ( -2.668 0.201 -1.542) 3.088 4.295 ( 0.730 2.359 3.496) 4.281 4.339 ( -1.468 2.381 -3.939) 4.831 4.460 ( 9.093 0.005 6.539) 11.200 4.561 ( 3.658 -2.948 2.287) 5.225 4.753 ( -0.275 7.864 0.182) 7.871 4.808 ( -5.804 7.564 -4.508) 10.546 4.990 ( 0.888 0.573 -0.438) 1.144 5.039 ( -3.262 -3.494 -0.342) 4.792 5.210 ( 3.177 0.598 -1.928) 3.764 5.262 ( -2.270 -2.524 3.167) 4.642 5.518 ( -0.691 3.847 -2.749) 4.778 5.557 ( -5.036 0.985 2.316) 5.630 5.815 ( 6.712 3.607 -1.467) 7.760 5.911 ( -2.728 -1.696 2.626) 4.149 5.943 ( 1.728 1.367 -1.130) 2.476 5.962 ( -0.193 0.190 -2.445) 2.460 6.094 ( -0.331 6.375 4.646) 7.895 6.144 ( -3.110 7.386 -4.595) 9.238 6.211 ( 3.795 2.497 0.806) 4.614 6.251 ( 1.314 1.654 -2.559) 3.318 6.563 ( 3.136 -2.073 -1.827) 4.179 6.584 ( -0.884 -0.579 1.833) 2.115 6.766 ( 1.249 -11.382 1.077) 11.501 6.780 ( -0.179 -10.744 -1.149) 10.807 7.400 ( 3.262 1.872 -1.482) 4.043 7.449 ( -1.928 1.270 1.518) 2.763 7.635 ( 2.632 -5.158 0.402) 5.804 7.670 ( -0.775 -6.681 1.384) 6.867 8.022 ( -2.170 4.182 5.115) 6.954 8.090 ( -5.654 3.451 -5.659) 8.713 8.136 ( 2.256 1.920 -1.221) 3.204 8.192 ( -3.056 0.015 -0.759) 3.149 8.263 ( -0.226 -4.365 2.855) 5.220 8.361 ( -5.932 -7.533 -2.355) 9.873 8.469 ( -1.288 -9.476 -0.810) 9.597 8.472 ( -2.858 -8.037 1.543) 8.668 9.113 ( 0.931 4.343 -0.823) 4.517 9.140 ( -1.472 5.896 -0.469) 6.095 9.175 ( 4.733 3.458 -0.203) 5.866 9.218 ( -0.363 2.531 1.512) 2.970 9.876 ( 2.595 0.175 -0.809) 2.724 9.932 ( -2.792 1.078 1.282) 3.256 10.106 ( 4.431 -6.454 1.154) 7.913 10.162 ( -0.059 -5.671 -1.372) 5.835 10.268 ( 0.682 3.952 0.062) 4.011 10.326 ( -4.058 1.560 -1.010) 4.463 10.491 ( 1.457 -2.630 -3.263) 4.437 10.552 ( -5.306 -5.078 1.944) 7.597 10.696 ( 6.393 4.492 3.084) 8.400 10.778 ( -1.084 5.810 1.376) 6.068 10.962 ( 5.903 -2.933 -3.247) 7.348 10.996 ( 0.594 -1.029 3.951) 4.126 11.245 ( -2.314 1.001 -0.297) 2.539 11.252 ( -0.865 1.910 -0.964) 2.308 11.359 ( 0.126 -0.855 -0.408) 0.956 11.374 ( 1.610 0.327 -0.911) 1.879 11.851 ( 5.585 5.250 -3.129) 8.279 12.000 ( -6.458 -0.908 1.246) 6.639 12.050 ( 4.951 2.722 3.056) 6.423 12.164 ( -3.210 -2.352 -1.295) 4.185 13.127 ( 0.152 2.254 3.358) 4.047 13.188 ( -2.828 0.890 -2.402) 3.816 13.364 ( 2.003 -1.981 -1.654) 3.267 13.435 ( -2.798 -3.857 2.198) 5.247 13.761 ( 6.879 -2.263 -3.191) 7.914 13.818 ( 2.484 -4.156 -0.190) 4.845 13.996 ( -5.026 -6.396 -0.261) 8.138 14.021 ( -8.266 -4.391 2.580) 9.709 14.590 ( 1.199 1.459 -0.736) 2.027 14.599 ( 0.179 1.380 1.418) 1.986 14.747 ( 0.967 -0.424 1.218) 1.612 14.784 ( -1.589 -2.371 -1.160) 3.081 15.461 ( 1.633 1.746 -0.001) 2.391 15.496 ( -0.782 0.241 -2.526) 2.655 15.687 ( 3.115 1.278 -0.601) 3.420 15.715 ( -0.177 0.265 2.349) 2.370 16.479 ( 0.249 -0.227 0.003) 0.337 16.500 ( -1.009 -0.172 -0.871) 1.344 16.594 ( -0.300 -1.549 0.437) 1.637 16.642 ( -3.974 -2.654 0.065) 4.779 17.053 ( 0.643 -0.684 0.670) 1.154 17.064 ( -0.131 -0.970 0.806) 1.268 17.125 ( -1.898 -3.063 -1.054) 3.754 17.156 ( -4.670 -4.482 0.240) 6.477 17.632 ( 5.393 4.284 0.321) 6.895 17.665 ( 3.500 2.809 -0.330) 4.500 17.762 ( 1.161 -0.512 0.620) 1.412 17.788 ( -0.093 -1.071 -0.646) 1.254 17.959 ( 7.478 2.908 0.841) 8.068 18.006 ( 6.820 3.772 -0.244) 7.798 18.053 ( 6.399 -1.330 1.000) 6.612 18.132 ( 3.924 -0.864 -1.534) 4.301 18.267 ( -4.646 3.213 0.918) 5.723 18.290 ( -0.477 -0.195 -0.142) 0.535 18.413 ( -8.092 -5.201 -2.163) 9.859 18.483 ( -10.802 -6.381 0.816) 12.573 19.304 ( -0.005 6.554 -0.885) 6.614 19.312 ( -0.940 5.949 0.045) 6.023 19.467 ( 2.228 1.223 1.061) 2.754 19.496 ( 0.122 1.241 -0.543) 1.360 19.623 ( 1.987 -3.279 -0.522) 3.869 19.645 ( -0.216 -2.798 0.218) 2.814 19.762 ( 1.158 -0.373 0.467) 1.303 19.793 ( -1.619 -1.517 0.231) 2.231 20.781 ( 1.531 1.508 1.240) 2.481 20.786 ( 1.666 1.948 -0.969) 2.740 20.878 ( 2.064 -1.931 0.248) 2.837 20.925 ( -0.822 -3.249 -1.031) 3.506 21.026 ( -0.408 0.224 2.587) 2.628 21.063 ( -1.756 -0.855 -2.683) 3.319 21.440 ( 0.152 -6.643 2.797) 7.209 21.452 ( 0.387 -6.849 -2.504) 7.302 22.652 ( 0.779 0.453 1.004) 1.349 22.668 ( -0.297 0.532 -1.125) 1.280 22.764 ( 2.703 -3.420 0.572) 4.396 22.799 ( -0.135 -3.877 -0.490) 3.911 23.243 ( 2.421 1.490 2.385) 3.710 23.282 ( 0.916 -0.657 -1.999) 2.295 23.320 ( 0.347 -1.835 -1.328) 2.292 23.327 ( -0.545 -2.212 0.852) 2.432 23.959 ( 0.659 -1.342 0.869) 1.729 24.017 ( -3.227 -1.998 1.227) 3.989 24.102 ( -2.650 -3.374 -2.374) 4.904 24.125 ( -4.244 -2.677 0.407) 5.034 25.311 ( 1.830 3.958 1.126) 4.504 25.348 ( -0.862 2.612 -1.702) 3.234 25.458 ( 4.072 3.018 0.319) 5.079 25.500 ( 0.247 1.347 0.608) 1.499 26.535 ( 1.810 4.197 -2.170) 5.060 26.565 ( -1.911 3.505 2.565) 4.745 26.791 ( 0.416 -4.915 4.038) 6.375 26.831 ( -1.156 -7.368 -4.948) 8.950 27.455 ( 0.547 3.009 2.899) 4.214 27.501 ( -1.931 2.672 -3.290) 4.657 27.578 ( 2.211 -2.812 -1.325) 3.814 27.632 ( -2.837 -2.965 1.571) 4.394 27.918 ( 0.450 1.008 -0.710) 1.312 27.941 ( -2.527 -0.223 0.904) 2.693 28.098 ( -0.850 4.572 -1.798) 4.985 28.117 ( -3.257 4.613 0.990) 5.733 28.841 ( 7.456 2.947 6.539) 10.346 28.944 ( 1.098 -0.920 -5.788) 5.963 29.457 ( 5.363 6.299 1.390) 8.388 29.534 ( 1.177 2.917 -2.283) 3.886 29.752 ( 0.269 6.823 2.955) 7.440 29.828 ( -5.945 3.097 7.162) 9.810 29.956 ( 1.872 3.209 -7.293) 8.185 30.006 ( -2.879 -0.030 -4.937) 5.715 30.609 ( -0.363 3.349 -0.099) 3.370 30.649 ( -5.288 1.597 4.061) 6.856 30.955 ( 4.544 3.977 -1.740) 6.284 31.052 ( -5.335 0.617 -0.400) 5.385 31.197 ( 3.916 0.307 3.196) 5.064 31.284 ( -3.067 -4.760 0.726) 5.709 31.430 ( 2.282 -0.857 -0.682) 2.531 31.479 ( -2.191 -2.017 -1.401) 3.291 32.163 ( 1.926 -1.668 0.905) 2.703 32.195 ( -0.320 -2.371 -2.151) 3.218 32.339 ( 2.466 -1.901 -1.141) 3.316 32.364 ( -0.800 -2.760 3.047) 4.188 36.871 ( 0.571 -0.450 0.125) 0.738 36.875 ( 0.265 -0.562 -0.011) 0.622 37.404 ( 2.084 -3.543 2.441) 4.781 37.425 ( 1.389 -4.479 -2.610) 5.367 39.569 ( 0.691 1.645 -1.255) 2.181 39.574 ( -0.418 1.355 1.564) 2.111 40.675 ( 0.817 5.941 0.007) 5.997 40.718 ( -2.926 3.380 -0.376) 4.486 ======================= Grid point 114 (53/55) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -0.000 0.000 0.000) 0.000 1.487 ( -0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.875 ( -0.000 0.000 0.000) 0.000 1.992 ( -0.000 0.000 0.000) 0.000 1.992 ( -0.000 0.000 0.000) 0.000 2.062 ( -0.000 0.000 -0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.260 ( -0.000 0.000 -0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.331 ( -0.000 0.000 -0.000) 0.000 2.331 ( -0.000 0.000 0.000) 0.000 2.495 ( -0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.665 ( -0.000 0.000 0.000) 0.000 2.665 ( -0.000 0.000 0.000) 0.000 2.822 ( 0.000 -0.000 0.000) 0.000 2.822 ( -0.000 0.000 0.000) 0.000 2.870 ( -0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 3.122 ( -0.000 0.000 0.000) 0.000 3.122 ( -0.000 0.000 0.000) 0.000 3.201 ( -0.000 0.000 -0.000) 0.000 3.201 ( 0.000 -0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.425 ( -0.000 0.000 0.000) 0.000 3.466 ( 0.000 -0.000 -0.000) 0.000 3.466 ( 0.000 -0.000 0.000) 0.000 3.549 ( 0.000 0.000 -0.000) 0.000 3.549 ( -0.000 0.000 0.000) 0.000 4.042 ( -0.000 0.000 -0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.124 ( -0.000 0.000 0.000) 0.000 4.315 ( -0.000 0.000 0.000) 0.000 4.315 ( 0.000 -0.000 0.000) 0.000 4.325 ( -0.000 -0.000 -0.000) 0.000 4.325 ( -0.000 0.000 0.000) 0.000 4.848 ( -0.000 0.000 0.000) 0.000 4.848 ( -0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.699 ( -0.000 -0.000 -0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.720 ( -0.000 0.000 -0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.964 ( -0.000 0.000 0.000) 0.000 5.964 ( -0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.104 ( -0.000 0.000 0.000) 0.000 6.252 ( -0.000 0.000 0.000) 0.000 6.252 ( -0.000 0.000 0.000) 0.000 6.441 ( -0.000 0.000 0.000) 0.000 6.441 ( -0.000 0.000 0.000) 0.000 6.567 ( -0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 7.523 ( -0.000 0.000 -0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.549 ( -0.000 0.000 -0.000) 0.000 7.549 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 -0.000 0.000) 0.000 8.118 ( -0.000 -0.000 0.000) 0.000 8.144 ( -0.000 0.000 0.000) 0.000 8.144 ( 0.000 0.000 -0.000) 0.000 8.504 ( 0.000 0.000 -0.000) 0.000 8.504 ( -0.000 0.000 0.000) 0.000 8.540 ( 0.000 0.000 0.000) 0.000 8.540 ( 0.000 0.000 0.000) 0.000 9.141 ( -0.000 0.000 0.000) 0.000 9.141 ( -0.000 0.000 0.000) 0.000 9.191 ( -0.000 0.000 0.000) 0.000 9.191 ( 0.000 0.000 0.000) 0.000 9.899 ( 0.000 0.000 0.000) 0.000 9.899 ( -0.000 0.000 0.000) 0.000 10.071 ( 0.000 0.000 0.000) 0.000 10.071 ( 0.000 0.000 0.000) 0.000 10.359 ( 0.000 0.000 -0.000) 0.000 10.359 ( -0.000 0.000 0.000) 0.000 10.563 ( -0.000 0.000 0.000) 0.000 10.563 ( -0.000 0.000 0.000) 0.000 10.725 ( -0.000 -0.000 0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 10.771 ( -0.000 -0.000 -0.000) 0.000 10.771 ( -0.000 0.000 -0.000) 0.000 11.181 ( 0.000 0.000 0.000) 0.000 11.181 ( -0.000 0.000 0.000) 0.000 11.420 ( -0.000 0.000 0.000) 0.000 11.420 ( -0.000 0.000 0.000) 0.000 11.946 ( -0.000 0.000 0.000) 0.000 11.946 ( -0.000 0.000 0.000) 0.000 12.034 ( 0.000 0.000 -0.000) 0.000 12.034 ( -0.000 0.000 0.000) 0.000 13.214 ( -0.000 0.000 0.000) 0.000 13.214 ( 0.000 0.000 0.000) 0.000 13.257 ( 0.000 0.000 0.000) 0.000 13.257 ( -0.000 0.000 0.000) 0.000 13.927 ( 0.000 0.000 0.000) 0.000 13.927 ( -0.000 0.000 0.000) 0.000 14.181 ( -0.000 0.000 0.000) 0.000 14.181 ( 0.000 0.000 0.000) 0.000 14.610 ( -0.000 0.000 -0.000) 0.000 14.610 ( 0.000 0.000 -0.000) 0.000 14.637 ( -0.000 0.000 0.000) 0.000 14.637 ( -0.000 -0.000 0.000) 0.000 15.528 ( 0.000 0.000 -0.000) 0.000 15.528 ( 0.000 -0.000 0.000) 0.000 15.533 ( -0.000 0.000 -0.000) 0.000 15.533 ( -0.000 0.000 0.000) 0.000 16.582 ( -0.000 0.000 0.000) 0.000 16.582 ( -0.000 0.000 0.000) 0.000 16.638 ( 0.000 -0.000 0.000) 0.000 16.638 ( -0.000 0.000 0.000) 0.000 17.205 ( -0.000 0.000 0.000) 0.000 17.205 ( -0.000 0.000 0.000) 0.000 17.258 ( -0.000 -0.000 -0.000) 0.000 17.258 ( -0.000 0.000 0.000) 0.000 17.472 ( -0.000 0.000 0.000) 0.000 17.472 ( 0.000 0.000 0.000) 0.000 17.519 ( 0.000 0.000 0.000) 0.000 17.519 ( -0.000 0.000 0.000) 0.000 17.829 ( 0.000 0.000 0.000) 0.000 17.829 ( 0.000 0.000 0.000) 0.000 17.876 ( -0.000 0.000 0.000) 0.000 17.876 ( -0.000 0.000 0.000) 0.000 18.560 ( -0.000 -0.000 -0.000) 0.000 18.560 ( -0.000 0.000 0.000) 0.000 18.584 ( 0.000 -0.000 0.000) 0.000 18.584 ( 0.000 0.000 0.000) 0.000 19.398 ( 0.000 -0.000 -0.000) 0.000 19.398 ( 0.000 0.000 -0.000) 0.000 19.409 ( -0.000 -0.000 0.000) 0.000 19.409 ( -0.000 0.000 0.000) 0.000 19.591 ( -0.000 0.000 0.000) 0.000 19.591 ( -0.000 0.000 0.000) 0.000 19.781 ( -0.000 0.000 0.000) 0.000 19.781 ( -0.000 0.000 0.000) 0.000 20.730 ( 0.000 0.000 0.000) 0.000 20.730 ( -0.000 0.000 0.000) 0.000 20.851 ( -0.000 0.000 0.000) 0.000 20.851 ( 0.000 0.000 0.000) 0.000 21.076 ( 0.000 0.000 0.000) 0.000 21.076 ( -0.000 0.000 0.000) 0.000 21.370 ( 0.000 0.000 0.000) 0.000 21.370 ( 0.000 0.000 0.000) 0.000 22.623 ( -0.000 0.000 0.000) 0.000 22.623 ( -0.000 0.000 0.000) 0.000 22.702 ( 0.000 0.000 0.000) 0.000 22.702 ( 0.000 0.000 0.000) 0.000 23.239 ( 0.000 -0.000 -0.000) 0.000 23.239 ( 0.000 0.000 0.000) 0.000 23.251 ( -0.000 0.000 0.000) 0.000 23.251 ( -0.000 0.000 0.000) 0.000 24.106 ( -0.000 0.000 0.000) 0.000 24.106 ( -0.000 0.000 0.000) 0.000 24.181 ( 0.000 0.000 0.000) 0.000 24.181 ( 0.000 0.000 0.000) 0.000 25.340 ( -0.000 0.000 0.000) 0.000 25.340 ( -0.000 0.000 0.000) 0.000 25.376 ( 0.000 0.000 -0.000) 0.000 25.376 ( 0.000 0.000 0.000) 0.000 26.619 ( 0.000 0.000 0.000) 0.000 26.619 ( -0.000 0.000 0.000) 0.000 26.760 ( 0.000 0.000 0.000) 0.000 26.760 ( -0.000 0.000 0.000) 0.000 27.555 ( -0.000 -0.000 0.000) 0.000 27.555 ( 0.000 0.000 0.000) 0.000 27.603 ( 0.000 0.000 -0.000) 0.000 27.603 ( 0.000 0.000 0.000) 0.000 28.095 ( 0.000 0.000 0.000) 0.000 28.095 ( -0.000 0.000 0.000) 0.000 28.192 ( -0.000 0.000 0.000) 0.000 28.192 ( 0.000 0.000 0.000) 0.000 28.668 ( 0.000 0.000 0.000) 0.000 28.668 ( -0.000 0.000 0.000) 0.000 29.392 ( 0.000 0.000 0.000) 0.000 29.392 ( -0.000 0.000 0.000) 0.000 29.979 ( 0.000 0.000 -0.000) 0.000 29.979 ( 0.000 0.000 -0.000) 0.000 30.003 ( -0.000 -0.000 0.000) 0.000 30.003 ( -0.000 -0.000 0.000) 0.000 30.808 ( 0.000 0.000 0.000) 0.000 30.808 ( -0.000 0.000 0.000) 0.000 31.031 ( 0.000 0.000 0.000) 0.000 31.031 ( 0.000 0.000 0.000) 0.000 31.160 ( -0.000 0.000 0.000) 0.000 31.160 ( 0.000 0.000 0.000) 0.000 31.430 ( -0.000 0.000 0.000) 0.000 31.430 ( 0.000 0.000 0.000) 0.000 32.166 ( -0.000 0.000 0.000) 0.000 32.166 ( 0.000 0.000 0.000) 0.000 32.256 ( -0.000 0.000 -0.000) 0.000 32.256 ( 0.000 0.000 0.000) 0.000 36.842 ( 0.000 0.000 0.000) 0.000 36.842 ( -0.000 0.000 0.000) 0.000 37.314 ( -0.000 0.000 0.000) 0.000 37.314 ( 0.000 0.000 0.000) 0.000 39.582 ( -0.000 0.000 0.000) 0.000 39.582 ( -0.000 0.000 0.000) 0.000 40.795 ( 0.000 0.000 0.000) 0.000 40.795 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 118 (54/55) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -2.885 -2.776 0.215) 4.009 1.447 ( -2.885 2.776 0.215) 4.009 1.871 ( -1.807 -1.554 1.941) 3.074 1.871 ( -1.807 1.554 1.941) 3.074 1.911 ( -2.426 -3.957 -6.200) 7.745 1.911 ( -2.426 3.957 -6.200) 7.745 2.130 ( 2.178 -3.787 2.206) 4.894 2.130 ( 2.178 3.787 2.206) 4.894 2.254 ( 0.418 -4.206 -1.218) 4.398 2.254 ( 0.418 4.206 -1.218) 4.398 2.313 ( -1.997 -3.394 0.076) 3.939 2.313 ( -1.997 3.394 0.076) 3.939 2.535 ( 2.083 -4.038 2.091) 5.001 2.535 ( 2.083 4.038 2.091) 5.001 2.591 ( -1.464 -2.933 1.982) 3.831 2.591 ( -1.464 2.933 1.982) 3.831 2.646 ( -2.786 -2.041 0.749) 3.534 2.646 ( -2.786 2.041 0.749) 3.534 2.793 ( -0.918 -1.726 -1.922) 2.741 2.793 ( -0.918 1.726 -1.922) 2.741 2.875 ( -0.520 -4.282 -1.636) 4.613 2.875 ( -0.520 4.282 -1.636) 4.613 3.126 ( 1.466 -2.733 -0.225) 3.110 3.126 ( 1.466 2.733 -0.225) 3.110 3.232 ( 1.579 -2.623 0.324) 3.079 3.232 ( 1.579 2.623 0.324) 3.079 3.379 ( -4.016 -3.098 1.062) 5.182 3.379 ( -4.016 3.098 1.062) 5.182 3.497 ( 2.614 -4.379 -1.015) 5.199 3.497 ( 2.614 4.379 -1.015) 5.199 3.561 ( 1.551 -2.009 2.025) 3.247 3.561 ( 1.551 2.009 2.025) 3.247 3.970 ( -5.264 -2.499 -2.940) 6.527 3.970 ( -5.264 2.499 -2.940) 6.527 4.110 ( -3.676 -1.081 1.734) 4.205 4.110 ( -3.676 1.081 1.734) 4.205 4.290 ( 3.575 -0.976 3.255) 4.932 4.290 ( 3.575 0.976 3.255) 4.932 4.406 ( 2.315 -2.898 0.335) 3.724 4.406 ( 2.315 2.898 0.335) 3.724 4.848 ( 1.556 -4.408 0.451) 4.696 4.848 ( 1.556 4.408 0.451) 4.696 5.085 ( -6.614 -1.248 -2.319) 7.119 5.085 ( -6.614 1.248 -2.319) 7.119 5.209 ( 0.213 -1.191 2.445) 2.728 5.209 ( 0.213 1.191 2.445) 2.728 5.633 ( -3.587 -1.130 0.086) 3.762 5.633 ( -3.587 1.130 0.086) 3.762 5.817 ( 4.549 -3.368 0.112) 5.661 5.817 ( 4.549 3.368 0.112) 5.661 5.952 ( 0.621 -1.382 -2.646) 3.049 5.952 ( 0.621 1.382 -2.646) 3.049 6.141 ( 2.643 -1.322 -1.437) 3.286 6.141 ( 2.643 1.322 -1.437) 3.286 6.263 ( 0.589 -2.561 -0.649) 2.707 6.263 ( 0.589 2.561 -0.649) 2.707 6.484 ( 5.281 -5.991 0.112) 7.987 6.484 ( 5.281 5.991 0.112) 7.987 6.612 ( 2.578 -5.085 -0.024) 5.701 6.612 ( 2.578 5.085 -0.024) 5.701 7.452 ( -1.742 -3.851 -3.920) 5.764 7.452 ( -1.742 3.851 -3.920) 5.764 7.578 ( -1.176 -1.052 5.472) 5.694 7.578 ( -1.176 1.052 5.472) 5.694 8.109 ( -0.173 -4.304 0.289) 4.317 8.109 ( -0.173 4.304 0.289) 4.317 8.180 ( 1.737 -5.915 -0.417) 6.179 8.180 ( 1.737 5.915 -0.417) 6.179 8.421 ( -7.317 -1.569 -1.750) 7.685 8.421 ( -7.317 1.570 -1.750) 7.685 8.475 ( -6.688 -2.823 1.516) 7.416 8.475 ( -6.688 2.823 1.516) 7.416 9.147 ( 1.253 -2.013 -1.181) 2.649 9.147 ( 1.253 2.013 -1.181) 2.649 9.194 ( 0.933 -2.283 0.607) 2.540 9.194 ( 0.933 2.283 0.607) 2.540 9.895 ( 0.255 -3.232 -0.887) 3.361 9.895 ( 0.255 3.232 -0.887) 3.361 10.072 ( -0.046 -3.244 0.105) 3.246 10.072 ( -0.046 3.244 0.105) 3.246 10.387 ( 1.388 -4.666 1.649) 5.139 10.387 ( 1.388 4.666 1.649) 5.139 10.471 ( -5.443 -6.888 0.724) 8.809 10.471 ( -5.443 6.888 0.724) 8.809 10.742 ( 3.221 -6.584 -3.691) 8.207 10.742 ( 3.221 6.584 -3.691) 8.207 10.862 ( 4.584 -4.792 3.917) 7.702 10.862 ( 4.584 4.792 3.917) 7.702 11.258 ( 5.476 -2.347 0.216) 5.961 11.258 ( 5.476 2.347 0.216) 5.961 11.378 ( -2.845 -2.358 -2.746) 4.604 11.378 ( -2.845 2.358 -2.746) 4.604 11.926 ( -0.685 -2.230 0.994) 2.535 11.926 ( -0.685 2.230 0.994) 2.535 12.080 ( 2.664 -2.603 0.093) 3.726 12.080 ( 2.664 2.603 0.093) 3.726 13.182 ( -1.638 -0.597 1.439) 2.261 13.182 ( -1.638 0.597 1.439) 2.261 13.347 ( 5.967 -2.143 -0.849) 6.397 13.347 ( 5.967 2.143 -0.849) 6.397 13.802 ( -8.015 -5.188 -1.111) 9.612 13.802 ( -8.015 5.188 -1.111) 9.612 14.100 ( -8.243 -4.105 0.326) 9.214 14.100 ( -8.243 4.105 0.326) 9.214 14.580 ( 1.231 -1.212 2.041) 2.674 14.580 ( 1.231 1.212 2.041) 2.674 14.727 ( 3.161 -2.107 -0.983) 3.924 14.727 ( 3.161 2.107 -0.983) 3.924 15.490 ( 0.406 -1.292 -4.430) 4.632 15.490 ( 0.406 1.292 -4.430) 4.632 15.634 ( 4.662 -1.487 3.932) 6.277 15.634 ( 4.662 1.487 3.932) 6.277 16.537 ( -3.239 -2.258 -0.786) 4.026 16.537 ( -3.239 2.258 -0.786) 4.026 16.624 ( -1.511 -3.334 0.409) 3.683 16.624 ( -1.511 3.334 0.409) 3.683 17.123 ( -5.452 -1.397 0.878) 5.696 17.123 ( -5.452 1.397 0.878) 5.696 17.178 ( -5.350 -2.820 -0.262) 6.054 17.178 ( -5.350 2.820 -0.262) 6.054 17.592 ( 8.345 -2.664 0.655) 8.784 17.592 ( 8.345 2.664 0.655) 8.784 17.621 ( 7.699 -0.939 -0.625) 7.781 17.621 ( 7.699 0.939 -0.625) 7.781 17.879 ( 4.582 -1.208 0.302) 4.748 17.879 ( 4.582 1.208 0.302) 4.748 17.934 ( 6.011 -3.048 -0.198) 6.743 17.934 ( 6.011 3.048 -0.198) 6.743 18.479 ( -6.878 -5.309 -0.891) 8.734 18.479 ( -6.878 5.309 -0.891) 8.734 18.526 ( -6.270 -6.744 0.126) 9.210 18.526 ( -6.270 6.744 0.126) 9.210 19.393 ( -0.520 -1.483 0.316) 1.603 19.393 ( -0.520 1.483 0.316) 1.603 19.443 ( 2.772 -3.116 -0.201) 4.175 19.443 ( 2.772 3.116 -0.201) 4.175 19.591 ( 0.411 -1.621 -0.836) 1.870 19.591 ( 0.411 1.621 -0.836) 1.870 19.778 ( -0.553 -1.550 0.880) 1.866 19.778 ( -0.553 1.550 0.880) 1.866 20.750 ( 1.912 -0.602 0.172) 2.012 20.750 ( 1.912 0.602 0.172) 2.012 20.862 ( 0.937 -1.566 -0.231) 1.840 20.862 ( 0.937 1.566 -0.231) 1.840 21.067 ( -0.718 -1.374 -0.448) 1.614 21.067 ( -0.718 1.374 -0.448) 1.614 21.372 ( 0.118 -0.693 0.149) 0.719 21.372 ( 0.118 0.693 0.149) 0.719 22.642 ( 1.576 -1.213 0.496) 2.050 22.642 ( 1.576 1.213 0.496) 2.050 22.716 ( 1.218 -2.019 -0.237) 2.370 22.716 ( 1.218 2.019 -0.237) 2.370 23.247 ( 0.751 -2.089 0.941) 2.411 23.247 ( 0.751 2.089 0.941) 2.411 23.268 ( 1.551 -0.828 -0.670) 1.881 23.268 ( 1.551 0.828 -0.670) 1.881 24.056 ( -4.354 -2.880 -0.860) 5.291 24.056 ( -4.354 2.880 -0.860) 5.291 24.147 ( -3.193 -1.705 0.557) 3.663 24.147 ( -3.193 1.705 0.557) 3.663 25.342 ( 1.019 -1.842 -0.410) 2.145 25.342 ( 1.019 1.842 -0.410) 2.145 25.431 ( 3.898 -1.939 0.702) 4.410 25.431 ( 3.898 1.939 0.702) 4.410 26.613 ( -0.749 -1.538 0.857) 1.914 26.613 ( -0.749 1.538 0.857) 1.914 26.749 ( -0.583 -1.792 -1.349) 2.317 26.749 ( -0.583 1.792 -1.349) 2.317 27.536 ( -1.605 -2.345 0.938) 2.993 27.536 ( -1.605 2.345 0.938) 2.993 27.602 ( -0.576 -1.907 -0.970) 2.216 27.602 ( -0.576 1.907 -0.970) 2.216 27.999 ( -6.039 -2.419 0.573) 6.530 27.999 ( -6.039 2.419 0.573) 6.530 28.194 ( -0.973 -1.887 -0.609) 2.209 28.194 ( -0.973 1.887 -0.609) 2.209 28.765 ( 7.882 -5.372 0.013) 9.538 28.765 ( 7.882 5.372 0.013) 9.538 29.438 ( 4.461 -2.106 0.103) 4.934 29.438 ( 4.461 2.106 0.103) 4.934 29.906 ( -6.825 -2.557 10.790) 13.021 29.906 ( -6.825 2.557 10.790) 13.021 30.039 ( 3.444 -1.849 -13.521) 14.075 30.039 ( 3.444 1.849 -13.521) 14.075 30.737 ( -6.444 -3.068 4.179) 8.270 30.737 ( -6.444 3.068 4.179) 8.270 31.021 ( 0.670 -6.457 -3.731) 7.488 31.021 ( 0.670 6.457 -3.731) 7.488 31.202 ( 1.111 -1.886 4.001) 4.561 31.202 ( 1.111 1.886 4.001) 4.561 31.429 ( 0.650 -2.806 -1.406) 3.205 31.429 ( 0.650 2.806 -1.406) 3.205 32.162 ( 0.297 -2.327 -2.207) 3.221 32.162 ( 0.297 2.327 -2.207) 3.221 32.286 ( 1.841 -1.708 2.567) 3.591 32.286 ( 1.841 1.708 2.567) 3.591 36.852 ( 0.848 -0.189 0.115) 0.876 36.852 ( 0.848 0.189 0.115) 0.876 37.337 ( 2.058 -0.962 -0.235) 2.283 37.337 ( 2.058 0.962 -0.235) 2.283 39.584 ( 0.127 -0.187 0.145) 0.268 39.584 ( 0.127 0.187 0.145) 0.268 40.775 ( -1.690 -1.643 -0.154) 2.362 40.775 ( -1.690 1.643 -0.154) 2.362 ======================= Grid point 120 (55/55) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -1.203 -1.950 0.698) 2.395 1.407 ( -1.203 1.950 0.698) 2.395 1.797 ( -2.668 -0.961 -1.474) 3.196 1.797 ( -2.668 0.961 -1.474) 3.196 1.920 ( 2.472 -1.625 -0.051) 2.959 1.920 ( 2.472 1.625 -0.051) 2.959 2.117 ( -2.907 -2.045 -1.606) 3.901 2.117 ( -2.907 2.045 -1.606) 3.901 2.260 ( 0.915 -3.753 -0.537) 3.900 2.260 ( 0.915 3.753 -0.537) 3.900 2.284 ( -1.274 -7.227 1.513) 7.492 2.284 ( -1.274 7.227 1.513) 7.492 2.523 ( -2.453 -3.151 1.591) 4.299 2.523 ( -2.453 3.151 1.591) 4.299 2.574 ( -1.767 -1.173 -1.123) 2.400 2.574 ( -1.767 1.173 -1.123) 2.400 2.640 ( 2.340 -1.962 2.538) 3.970 2.640 ( 2.340 1.962 2.538) 3.970 2.776 ( -0.474 -0.902 -2.069) 2.307 2.776 ( -0.474 0.902 -2.069) 2.307 2.849 ( -0.870 -1.743 -0.439) 1.997 2.849 ( -0.870 1.743 -0.439) 1.997 3.171 ( 2.254 -3.237 0.909) 4.048 3.171 ( 2.254 3.237 0.909) 4.048 3.218 ( -2.022 -3.170 -1.859) 4.194 3.218 ( -2.022 3.170 -1.859) 4.194 3.319 ( -1.778 -1.951 0.998) 2.822 3.319 ( -1.778 1.951 0.998) 2.822 3.542 ( 1.714 -1.371 -0.358) 2.224 3.542 ( 1.714 1.371 -0.358) 2.224 3.646 ( 4.558 -2.615 3.651) 6.399 3.646 ( 4.558 2.615 3.651) 6.399 3.844 ( -5.036 -2.436 -3.303) 6.497 3.844 ( -5.036 2.436 -3.303) 6.497 4.058 ( -1.428 -0.761 0.203) 1.631 4.058 ( -1.428 0.761 0.203) 1.631 4.356 ( -0.090 -2.764 1.667) 3.229 4.356 ( -0.090 2.764 1.667) 3.229 4.468 ( 3.539 -4.185 2.030) 5.845 4.468 ( 3.539 4.185 2.030) 5.845 4.903 ( 2.396 -7.165 0.124) 7.556 4.903 ( 2.396 7.165 0.124) 7.556 4.953 ( -3.388 -6.063 -2.081) 7.251 4.953 ( -3.388 6.063 -2.081) 7.251 5.229 ( 0.281 -1.121 0.967) 1.506 5.229 ( 0.281 1.121 0.967) 1.506 5.566 ( -2.869 -0.872 0.319) 3.015 5.566 ( -2.869 0.872 0.319) 3.015 5.859 ( 0.904 -2.500 -0.906) 2.809 5.859 ( 0.904 2.500 -0.906) 2.809 5.968 ( 1.066 -0.343 -2.112) 2.390 5.968 ( 1.066 0.343 -2.112) 2.390 6.192 ( 1.981 -1.972 2.942) 4.058 6.192 ( 1.981 1.972 2.942) 4.058 6.264 ( 0.408 -1.628 -2.954) 3.398 6.264 ( 0.408 1.628 -2.954) 3.398 6.580 ( 2.560 -3.731 0.081) 4.525 6.580 ( 2.560 3.731 0.081) 4.525 6.634 ( 0.095 -3.035 -0.020) 3.037 6.634 ( 0.095 3.035 -0.020) 3.037 7.453 ( 1.996 -2.576 -0.949) 3.394 7.453 ( 1.996 2.576 -0.949) 3.394 7.573 ( -0.706 -1.649 2.103) 2.765 7.573 ( -0.706 1.649 2.103) 2.765 8.115 ( 0.710 -4.246 0.800) 4.378 8.115 ( 0.710 4.246 0.800) 4.378 8.168 ( -2.956 -3.421 -0.738) 4.581 8.168 ( -2.956 3.421 -0.738) 4.581 8.271 ( -4.381 -2.417 -1.085) 5.120 8.271 ( -4.381 2.417 -1.085) 5.120 8.350 ( -4.494 -1.726 0.593) 4.851 8.350 ( -4.494 1.726 0.593) 4.851 9.178 ( 2.143 -1.666 -1.378) 3.044 9.178 ( 2.143 1.666 -1.378) 3.044 9.227 ( 0.663 -1.395 1.272) 2.001 9.227 ( 0.663 1.395 1.272) 2.001 9.915 ( 1.683 -3.182 -0.469) 3.630 9.915 ( 1.683 3.182 -0.469) 3.630 10.065 ( -0.510 -3.054 -0.392) 3.121 10.065 ( -0.510 3.054 -0.392) 3.121 10.367 ( -1.674 -1.628 0.166) 2.341 10.367 ( -1.674 1.628 0.166) 2.341 10.438 ( -0.579 -1.547 0.679) 1.786 10.438 ( -0.579 1.547 0.679) 1.786 10.810 ( 3.786 -4.331 -0.143) 5.754 10.810 ( 3.786 4.331 -0.143) 5.754 10.949 ( 2.046 -2.739 2.415) 4.186 10.949 ( 2.046 2.739 2.415) 4.186 11.264 ( -2.571 -0.866 -2.256) 3.529 11.264 ( -2.571 0.866 -2.256) 3.529 11.363 ( 0.910 -0.994 -0.218) 1.365 11.363 ( 0.910 0.994 -0.218) 1.365 11.946 ( 1.943 -4.089 -0.732) 4.586 11.946 ( 1.943 4.089 -0.732) 4.586 12.107 ( -0.025 -2.997 0.897) 3.129 12.107 ( -0.025 2.997 0.897) 3.129 13.177 ( 0.648 -2.034 0.892) 2.313 13.177 ( 0.648 2.034 0.892) 2.313 13.374 ( -3.199 -2.353 0.554) 4.010 13.374 ( -3.199 2.353 0.554) 4.010 13.758 ( 4.899 -2.013 -3.928) 6.594 13.758 ( 4.899 2.013 -3.928) 6.594 13.945 ( -7.088 -1.809 2.895) 7.867 13.945 ( -7.088 1.809 2.895) 7.867 14.612 ( 0.658 -0.396 0.427) 0.879 14.612 ( 0.658 0.396 0.427) 0.879 14.747 ( -0.135 -0.893 -0.159) 0.917 14.747 ( -0.135 0.893 -0.159) 0.917 15.491 ( 0.703 -1.016 -1.447) 1.903 15.491 ( 0.703 1.016 -1.447) 1.903 15.707 ( 1.326 -0.876 1.045) 1.902 15.707 ( 1.326 0.876 1.045) 1.902 16.486 ( -1.259 -0.853 -0.406) 1.574 16.486 ( -1.259 0.853 -0.406) 1.574 16.598 ( -0.886 -1.592 0.236) 1.837 16.598 ( -0.886 1.592 0.236) 1.837 17.058 ( -1.495 -0.389 1.354) 2.055 17.058 ( -1.495 0.389 1.354) 2.055 17.093 ( -2.554 -0.877 -1.042) 2.894 17.093 ( -2.554 0.877 -1.042) 2.894 17.715 ( 3.339 -3.790 0.829) 5.118 17.715 ( 3.339 3.790 0.828) 5.118 17.737 ( 3.038 -3.818 -0.842) 4.951 17.737 ( 3.038 3.818 -0.842) 4.951 18.014 ( 7.818 -2.393 1.346) 8.286 18.014 ( 7.818 2.393 1.346) 8.286 18.082 ( 7.491 -3.722 -0.747) 8.398 18.082 ( 7.491 3.722 -0.747) 8.398 18.322 ( -6.805 -3.754 -1.311) 7.882 18.322 ( -6.805 3.754 -1.311) 7.882 18.364 ( -8.952 -5.597 0.504) 10.569 18.364 ( -8.952 5.597 0.504) 10.569 19.380 ( -0.535 -0.456 -0.234) 0.741 19.380 ( -0.535 0.456 -0.234) 0.741 19.493 ( 1.716 -1.748 0.163) 2.455 19.493 ( 1.716 1.748 0.163) 2.455 19.598 ( 0.376 -1.366 -0.389) 1.469 19.598 ( 0.376 1.366 -0.389) 1.469 19.769 ( -0.548 -0.902 0.487) 1.162 19.769 ( -0.548 0.902 0.487) 1.162 20.795 ( 1.868 -0.448 0.434) 1.969 20.795 ( 1.868 0.448 0.434) 1.969 20.872 ( 0.097 -1.491 -0.509) 1.578 20.872 ( 0.097 1.491 -0.509) 1.578 21.051 ( -0.535 -1.113 -0.197) 1.250 21.051 ( -0.535 1.113 -0.197) 1.250 21.374 ( -0.024 -0.436 0.072) 0.443 21.374 ( -0.024 0.436 0.072) 0.443 22.675 ( 1.119 -1.161 0.421) 1.666 22.675 ( 1.119 1.161 0.421) 1.666 22.734 ( 0.519 -1.714 -0.283) 1.813 22.734 ( 0.519 1.714 -0.283) 1.813 23.275 ( 1.236 -1.244 0.939) 1.989 23.275 ( 1.236 1.244 0.939) 1.989 23.292 ( 0.883 -0.187 -0.738) 1.166 23.292 ( 0.883 0.187 -0.738) 1.166 23.967 ( -3.095 -2.012 -0.496) 3.725 23.967 ( -3.095 2.012 -0.496) 3.725 24.088 ( -2.131 -1.068 0.296) 2.402 24.088 ( -2.131 1.068 0.296) 2.402 25.365 ( 0.995 -1.103 -0.242) 1.505 25.365 ( 0.995 1.103 -0.242) 1.505 25.500 ( 2.136 -1.213 0.437) 2.495 25.500 ( 2.136 1.213 0.437) 2.495 26.601 ( -0.658 -1.141 0.503) 1.410 26.601 ( -0.658 1.141 0.503) 1.410 26.733 ( -0.279 -0.805 -0.805) 1.172 26.733 ( -0.279 0.805 -0.805) 1.172 27.520 ( 0.022 -3.297 0.672) 3.365 27.520 ( 0.022 3.297 0.672) 3.365 27.561 ( -2.461 -3.617 -0.772) 4.442 27.561 ( -2.461 3.617 -0.772) 4.442 27.934 ( -0.991 -0.659 0.331) 1.235 27.934 ( -0.991 0.659 0.331) 1.235 28.162 ( -1.308 -0.731 -0.295) 1.527 28.162 ( -1.308 0.731 -0.295) 1.527 28.897 ( 4.131 -2.980 -0.053) 5.094 28.897 ( 4.131 2.980 -0.053) 5.094 29.542 ( 4.505 -2.114 0.613) 5.014 29.542 ( 4.505 2.114 0.613) 5.014 29.835 ( -3.684 -1.995 4.567) 6.198 29.835 ( -3.684 1.995 4.567) 6.198 30.001 ( -1.040 -1.171 -6.772) 6.950 30.001 ( -1.040 1.171 -6.772) 6.950 30.658 ( -2.573 -1.158 2.325) 3.656 30.658 ( -2.573 1.158 2.325) 3.656 31.023 ( 0.591 -2.930 -1.546) 3.365 31.023 ( 0.591 2.930 -1.546) 3.365 31.213 ( -0.666 -1.863 1.582) 2.533 31.213 ( -0.666 1.863 1.582) 2.533 31.445 ( 0.904 -1.623 -0.469) 1.916 31.445 ( 0.904 1.623 -0.469) 1.916 32.160 ( 0.224 -1.082 -1.013) 1.499 32.160 ( 0.224 1.082 -1.013) 1.499 32.328 ( 1.022 -0.754 1.242) 1.777 32.328 ( 1.022 0.754 1.242) 1.777 36.868 ( 0.530 -0.117 0.073) 0.547 36.868 ( 0.530 0.117 0.073) 0.547 37.374 ( 1.245 -0.577 -0.142) 1.380 37.374 ( 1.245 0.577 -0.142) 1.380 39.587 ( 0.086 -0.124 0.092) 0.177 39.587 ( 0.086 0.124 0.092) 0.177 40.744 ( -1.037 -1.026 -0.096) 1.462 40.744 ( -1.037 1.026 -0.096) 1.462 =================== 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 3/32640 10.0 274.948 370.379 190.611 0.000 -62.599 0.000 3/32640 20.0 67.145 84.350 39.161 0.000 -9.907 0.000 3/32640 30.0 29.099 36.577 16.212 0.000 -3.645 0.000 3/32640 40.0 16.984 21.313 9.322 0.000 -1.944 0.000 3/32640 50.0 11.588 14.519 6.344 0.000 -1.250 0.000 3/32640 60.0 8.676 10.861 4.759 0.000 -0.897 0.000 3/32640 70.0 6.898 8.634 3.794 0.000 -0.692 0.000 3/32640 80.0 5.715 7.155 3.153 0.000 -0.561 0.000 3/32640 90.0 4.878 6.109 2.698 0.000 -0.470 0.000 3/32640 100.0 4.257 5.332 2.359 0.000 -0.405 0.000 3/32640 110.0 3.779 4.734 2.098 0.000 -0.356 0.000 3/32640 120.0 3.402 4.260 1.890 0.000 -0.317 0.000 3/32640 130.0 3.095 3.874 1.721 0.000 -0.287 0.000 3/32640 140.0 2.842 3.555 1.581 0.000 -0.262 0.000 3/32640 150.0 2.629 3.286 1.463 0.000 -0.241 0.000 3/32640 160.0 2.448 3.056 1.362 0.000 -0.223 0.000 3/32640 170.0 2.291 2.857 1.274 0.000 -0.208 0.000 3/32640 180.0 2.154 2.684 1.198 0.000 -0.195 0.000 3/32640 190.0 2.034 2.531 1.131 0.000 -0.183 0.000 3/32640 200.0 1.927 2.395 1.071 0.000 -0.173 0.000 3/32640 210.0 1.831 2.274 1.017 0.000 -0.164 0.000 3/32640 220.0 1.745 2.165 0.969 0.000 -0.156 0.000 3/32640 230.0 1.667 2.067 0.925 0.000 -0.149 0.000 3/32640 240.0 1.596 1.977 0.886 0.000 -0.142 0.000 3/32640 250.0 1.531 1.895 0.850 0.000 -0.136 0.000 3/32640 260.0 1.471 1.820 0.816 0.000 -0.131 0.000 3/32640 270.0 1.417 1.751 0.786 0.000 -0.126 0.000 3/32640 280.0 1.366 1.687 0.758 0.000 -0.121 0.000 3/32640 290.0 1.319 1.628 0.731 0.000 -0.117 0.000 3/32640 300.0 1.275 1.573 0.707 0.000 -0.113 0.000 3/32640 310.0 1.234 1.522 0.684 0.000 -0.109 0.000 3/32640 320.0 1.195 1.474 0.663 0.000 -0.106 0.000 3/32640 330.0 1.159 1.429 0.643 0.000 -0.102 0.000 3/32640 340.0 1.126 1.387 0.625 0.000 -0.099 0.000 3/32640 350.0 1.094 1.348 0.607 0.000 -0.097 0.000 3/32640 360.0 1.064 1.310 0.591 0.000 -0.094 0.000 3/32640 370.0 1.035 1.275 0.575 0.000 -0.091 0.000 3/32640 380.0 1.009 1.242 0.560 0.000 -0.089 0.000 3/32640 390.0 0.983 1.210 0.546 0.000 -0.087 0.000 3/32640 400.0 0.959 1.180 0.533 0.000 -0.085 0.000 3/32640 410.0 0.936 1.152 0.521 0.000 -0.083 0.000 3/32640 420.0 0.914 1.125 0.509 0.000 -0.081 0.000 3/32640 430.0 0.893 1.099 0.497 0.000 -0.079 0.000 3/32640 440.0 0.873 1.074 0.486 0.000 -0.077 0.000 3/32640 450.0 0.854 1.051 0.476 0.000 -0.075 0.000 3/32640 460.0 0.836 1.029 0.466 0.000 -0.074 0.000 3/32640 470.0 0.819 1.007 0.456 0.000 -0.072 0.000 3/32640 480.0 0.802 0.986 0.447 0.000 -0.071 0.000 3/32640 490.0 0.786 0.967 0.438 0.000 -0.070 0.000 3/32640 500.0 0.771 0.948 0.430 0.000 -0.068 0.000 3/32640 510.0 0.756 0.930 0.422 0.000 -0.067 0.000 3/32640 520.0 0.742 0.912 0.414 0.000 -0.066 0.000 3/32640 530.0 0.728 0.895 0.406 0.000 -0.064 0.000 3/32640 540.0 0.715 0.879 0.399 0.000 -0.063 0.000 3/32640 550.0 0.702 0.863 0.392 0.000 -0.062 0.000 3/32640 560.0 0.690 0.848 0.386 0.000 -0.061 0.000 3/32640 570.0 0.678 0.834 0.379 0.000 -0.060 0.000 3/32640 580.0 0.666 0.820 0.373 0.000 -0.059 0.000 3/32640 590.0 0.655 0.806 0.367 0.000 -0.058 0.000 3/32640 600.0 0.645 0.793 0.361 0.000 -0.057 0.000 3/32640 610.0 0.634 0.780 0.355 0.000 -0.056 0.000 3/32640 620.0 0.624 0.768 0.350 0.000 -0.055 0.000 3/32640 630.0 0.615 0.756 0.344 0.000 -0.055 0.000 3/32640 640.0 0.605 0.745 0.339 0.000 -0.054 0.000 3/32640 650.0 0.596 0.733 0.334 0.000 -0.053 0.000 3/32640 660.0 0.587 0.723 0.329 0.000 -0.052 0.000 3/32640 670.0 0.579 0.712 0.325 0.000 -0.051 0.000 3/32640 680.0 0.570 0.702 0.320 0.000 -0.051 0.000 3/32640 690.0 0.562 0.692 0.315 0.000 -0.050 0.000 3/32640 700.0 0.554 0.682 0.311 0.000 -0.049 0.000 3/32640 710.0 0.547 0.673 0.307 0.000 -0.049 0.000 3/32640 720.0 0.539 0.664 0.303 0.000 -0.048 0.000 3/32640 730.0 0.532 0.655 0.299 0.000 -0.047 0.000 3/32640 740.0 0.525 0.646 0.295 0.000 -0.047 0.000 3/32640 750.0 0.518 0.638 0.291 0.000 -0.046 0.000 3/32640 760.0 0.512 0.630 0.287 0.000 -0.046 0.000 3/32640 770.0 0.505 0.622 0.284 0.000 -0.045 0.000 3/32640 780.0 0.499 0.614 0.280 0.000 -0.044 0.000 3/32640 790.0 0.493 0.606 0.277 0.000 -0.044 0.000 3/32640 800.0 0.486 0.599 0.274 0.000 -0.043 0.000 3/32640 810.0 0.481 0.592 0.270 0.000 -0.043 0.000 3/32640 820.0 0.475 0.585 0.267 0.000 -0.042 0.000 3/32640 830.0 0.469 0.578 0.264 0.000 -0.042 0.000 3/32640 840.0 0.464 0.571 0.261 0.000 -0.041 0.000 3/32640 850.0 0.458 0.564 0.258 0.000 -0.041 0.000 3/32640 860.0 0.453 0.558 0.255 0.000 -0.040 0.000 3/32640 870.0 0.448 0.552 0.252 0.000 -0.040 0.000 3/32640 880.0 0.443 0.546 0.250 0.000 -0.040 0.000 3/32640 890.0 0.438 0.540 0.247 0.000 -0.039 0.000 3/32640 900.0 0.433 0.534 0.244 0.000 -0.039 0.000 3/32640 910.0 0.429 0.528 0.242 0.000 -0.038 0.000 3/32640 920.0 0.424 0.522 0.239 0.000 -0.038 0.000 3/32640 930.0 0.420 0.517 0.237 0.000 -0.037 0.000 3/32640 940.0 0.415 0.511 0.234 0.000 -0.037 0.000 3/32640 950.0 0.411 0.506 0.232 0.000 -0.037 0.000 3/32640 960.0 0.407 0.501 0.229 0.000 -0.036 0.000 3/32640 970.0 0.403 0.496 0.227 0.000 -0.036 0.000 3/32640 980.0 0.399 0.491 0.225 0.000 -0.036 0.000 3/32640 990.0 0.395 0.486 0.223 0.000 -0.035 0.000 3/32640 1000.0 0.391 0.481 0.221 0.000 -0.035 0.000 3/32640 Thermal conductivity related properties were written into "kappa-m584.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:41:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|