----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:47:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.076122920031190 0.000000000000000 0.000000000000000 b 0.000000000000000 10.128051779999998 0.000000000000000 c -3.316440472284198 0.000000000000000 10.413025267022146 Atomic positions (fractional): *1 Lu 0.09279155448673 0.36783984404419 0.44344491799954 174.967 2 Lu 0.09279155448673 0.13216015595581 0.94344491799954 174.967 *3 Lu 0.22573970625380 0.60097430161082 0.19898622428303 174.967 *4 Lu 0.26448500965337 0.12045612936191 0.28080736603016 174.967 5 Lu 0.22573970625380 0.89902569838918 0.69898622428303 174.967 *6 Lu 0.41489702496455 0.88505022008821 0.08998173345865 174.967 7 Lu 0.26448500965337 0.37954387063809 0.78080736603016 174.967 8 Lu 0.58510297503545 0.38505022008821 0.41001826654135 174.967 9 Lu 0.41489702496455 0.61494977991179 0.58998173345865 174.967 10 Lu 0.73551499034663 0.62045612936191 0.21919263396983 174.967 11 Lu 0.58510297503545 0.11494977991178 0.91001826654135 174.967 12 Lu 0.77426029374620 0.10097430161082 0.30101377571697 174.967 13 Lu 0.73551499034663 0.87954387063809 0.71919263396984 174.967 14 Lu 0.77426029374620 0.39902569838918 0.80101377571697 174.967 15 Lu 0.90720844551327 0.86783984404419 0.05655508200045 174.967 16 Lu 0.90720844551327 0.63216015595581 0.55655508200046 174.967 *17 Al 0.05184163246600 0.83281026645343 0.37822388067613 26.982 18 Al 0.05184163246600 0.66718973354657 0.87822388067613 26.982 *19 Al 0.41359634362992 0.32780718133224 0.10897535927426 26.982 20 Al 0.58640365637008 0.82780718133224 0.39102464072574 26.982 21 Al 0.41359634362992 0.17219281866776 0.60897535927426 26.982 22 Al 0.58640365637008 0.67219281866776 0.89102464072574 26.982 23 Al 0.94815836753400 0.33281026645343 0.12177611932387 26.982 24 Al 0.94815836753400 0.16718973354657 0.62177611932387 26.982 *25 O 0.06944554846186 0.00260149240722 0.36136473864333 15.999 *26 O 0.02394866426222 0.74943218372973 0.23167715639292 15.999 *27 O 0.16528021649125 0.00051823956811 0.10961678666881 15.999 *28 O 0.17905260300394 0.27459656507181 0.11365735482042 15.999 *29 O 0.31073246101196 0.50680140593624 0.39364631308810 15.999 30 O 0.06944554846186 0.49739850759278 0.86136473864333 15.999 31 O 0.02394866426222 0.75056781627027 0.73167715639291 15.999 *32 O 0.38326241309912 0.23984493063615 0.45611257704481 15.999 *33 O 0.18682458208644 0.73533755055321 0.02517578808918 15.999 *34 O 0.46273787627905 0.73779618972807 0.25371689794418 15.999 35 O 0.16528021649125 0.49948176043189 0.60961678666881 15.999 36 O 0.17905260300394 0.22540343492819 0.61365735482042 15.999 *37 O 0.52612529261822 0.98801490020021 0.33364579995028 15.999 38 O 0.31073246101196 0.99319859406376 0.89364631308810 15.999 39 O 0.47387470738178 0.48801490020021 0.16635420004972 15.999 40 O 0.38326241309912 0.26015506936385 0.95611257704481 15.999 41 O 0.53726212372095 0.23779618972807 0.24628310205582 15.999 42 O 0.18682458208644 0.76466244944679 0.52517578808918 15.999 43 O 0.81317541791356 0.23533755055321 0.47482421191082 15.999 44 O 0.46273787627905 0.76220381027193 0.75371689794418 15.999 45 O 0.61673758690088 0.73984493063615 0.04388742295519 15.999 46 O 0.52612529261822 0.51198509979979 0.83364579995028 15.999 47 O 0.68926753898804 0.00680140593624 0.10635368691190 15.999 48 O 0.47387470738178 0.01198509979978 0.66635420004972 15.999 49 O 0.82094739699606 0.77459656507181 0.38634264517958 15.999 50 O 0.83471978350875 0.50051823956811 0.39038321333119 15.999 51 O 0.53726212372095 0.26220381027193 0.74628310205582 15.999 52 O 0.81317541791356 0.26466244944679 0.97482421191082 15.999 53 O 0.61673758690088 0.76015506936385 0.54388742295519 15.999 54 O 0.97605133573778 0.24943218372973 0.26832284360709 15.999 55 O 0.93055445153814 0.50260149240722 0.13863526135667 15.999 56 O 0.68926753898804 0.49319859406376 0.60635368691190 15.999 57 O 0.82094739699606 0.72540343492819 0.88634264517958 15.999 58 O 0.83471978350875 0.99948176043189 0.89038321333119 15.999 59 O 0.97605133573778 0.25056781627028 0.76832284360709 15.999 60 O 0.93055445153814 0.99739850759278 0.63863526135667 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.076122920031190 0.000000000000000 0.000000000000000 b 0.000000000000000 10.128051779999998 0.000000000000000 c -3.316440472284198 0.000000000000000 10.413025267022146 Atomic positions (fractional): *1 Lu 0.09279155448673 0.36783984404419 0.44344491799954 174.967 > 1 2 Lu 0.09279155448673 0.13216015595581 0.94344491799954 174.967 > 2 *3 Lu 0.22573970625380 0.60097430161082 0.19898622428303 174.967 > 3 *4 Lu 0.26448500965337 0.12045612936191 0.28080736603016 174.967 > 4 5 Lu 0.22573970625380 0.89902569838918 0.69898622428303 174.967 > 5 *6 Lu 0.41489702496455 0.88505022008821 0.08998173345865 174.967 > 6 7 Lu 0.26448500965337 0.37954387063809 0.78080736603016 174.967 > 7 8 Lu 0.58510297503545 0.38505022008821 0.41001826654135 174.967 > 8 9 Lu 0.41489702496455 0.61494977991179 0.58998173345865 174.967 > 9 10 Lu 0.73551499034663 0.62045612936191 0.21919263396983 174.967 > 10 11 Lu 0.58510297503545 0.11494977991178 0.91001826654135 174.967 > 11 12 Lu 0.77426029374620 0.10097430161082 0.30101377571697 174.967 > 12 13 Lu 0.73551499034663 0.87954387063809 0.71919263396984 174.967 > 13 14 Lu 0.77426029374620 0.39902569838918 0.80101377571697 174.967 > 14 15 Lu 0.90720844551327 0.86783984404419 0.05655508200045 174.967 > 15 16 Lu 0.90720844551327 0.63216015595581 0.55655508200046 174.967 > 16 *17 Al 0.05184163246600 0.83281026645343 0.37822388067613 26.982 > 17 18 Al 0.05184163246600 0.66718973354657 0.87822388067613 26.982 > 18 *19 Al 0.41359634362992 0.32780718133224 0.10897535927426 26.982 > 19 20 Al 0.58640365637008 0.82780718133224 0.39102464072574 26.982 > 20 21 Al 0.41359634362992 0.17219281866776 0.60897535927426 26.982 > 21 22 Al 0.58640365637008 0.67219281866776 0.89102464072574 26.982 > 22 23 Al 0.94815836753400 0.33281026645343 0.12177611932387 26.982 > 23 24 Al 0.94815836753400 0.16718973354657 0.62177611932387 26.982 > 24 *25 O 0.06944554846186 0.00260149240722 0.36136473864333 15.999 > 25 *26 O 0.02394866426222 0.74943218372973 0.23167715639292 15.999 > 26 *27 O 0.16528021649125 0.00051823956811 0.10961678666881 15.999 > 27 *28 O 0.17905260300394 0.27459656507181 0.11365735482042 15.999 > 28 *29 O 0.31073246101196 0.50680140593624 0.39364631308810 15.999 > 29 30 O 0.06944554846186 0.49739850759278 0.86136473864333 15.999 > 30 31 O 0.02394866426222 0.75056781627027 0.73167715639291 15.999 > 31 *32 O 0.38326241309912 0.23984493063615 0.45611257704481 15.999 > 32 *33 O 0.18682458208644 0.73533755055321 0.02517578808918 15.999 > 33 *34 O 0.46273787627905 0.73779618972807 0.25371689794418 15.999 > 34 35 O 0.16528021649125 0.49948176043189 0.60961678666881 15.999 > 35 36 O 0.17905260300394 0.22540343492819 0.61365735482042 15.999 > 36 *37 O 0.52612529261822 0.98801490020021 0.33364579995028 15.999 > 37 38 O 0.31073246101196 0.99319859406376 0.89364631308810 15.999 > 38 39 O 0.47387470738178 0.48801490020021 0.16635420004972 15.999 > 39 40 O 0.38326241309912 0.26015506936385 0.95611257704481 15.999 > 40 41 O 0.53726212372095 0.23779618972807 0.24628310205582 15.999 > 41 42 O 0.18682458208644 0.76466244944679 0.52517578808918 15.999 > 42 43 O 0.81317541791356 0.23533755055321 0.47482421191082 15.999 > 43 44 O 0.46273787627905 0.76220381027193 0.75371689794418 15.999 > 44 45 O 0.61673758690088 0.73984493063615 0.04388742295519 15.999 > 45 46 O 0.52612529261822 0.51198509979979 0.83364579995028 15.999 > 46 47 O 0.68926753898804 0.00680140593624 0.10635368691190 15.999 > 47 48 O 0.47387470738178 0.01198509979978 0.66635420004972 15.999 > 48 49 O 0.82094739699606 0.77459656507181 0.38634264517958 15.999 > 49 50 O 0.83471978350875 0.50051823956811 0.39038321333119 15.999 > 50 51 O 0.53726212372095 0.26220381027193 0.74628310205582 15.999 > 51 52 O 0.81317541791356 0.26466244944679 0.97482421191082 15.999 > 52 53 O 0.61673758690088 0.76015506936385 0.54388742295519 15.999 > 53 54 O 0.97605133573778 0.24943218372973 0.26832284360709 15.999 > 54 55 O 0.93055445153814 0.50260149240722 0.13863526135667 15.999 > 55 56 O 0.68926753898804 0.49319859406376 0.60635368691190 15.999 > 56 57 O 0.82094739699606 0.72540343492819 0.88634264517958 15.999 > 57 58 O 0.83471978350875 0.99948176043189 0.89038321333119 15.999 > 58 59 O 0.97605133573778 0.25056781627028 0.76832284360709 15.999 > 59 60 O 0.93055445153814 0.99739850759278 0.63863526135667 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.152245840062379 0.000000000000000 0.000000000000000 b 0.000000000000000 10.128051779999998 0.000000000000000 c -3.316440472284198 0.000000000000000 10.413025267022146 Atomic positions (fractional): *1 Lu 0.04639577724337 0.36783984404419 0.44344491799954 174.967 > 1 2 Lu 0.54639577724336 0.36783984404419 0.44344491799954 174.967 > 1 3 Lu 0.04639577724337 0.13216015595581 0.94344491799954 174.967 > 2 4 Lu 0.54639577724336 0.13216015595581 0.94344491799954 174.967 > 2 *5 Lu 0.11286985312690 0.60097430161082 0.19898622428303 174.967 > 3 6 Lu 0.61286985312690 0.60097430161082 0.19898622428303 174.967 > 3 *7 Lu 0.13224250482669 0.12045612936191 0.28080736603016 174.967 > 4 8 Lu 0.63224250482668 0.12045612936191 0.28080736603016 174.967 > 4 9 Lu 0.11286985312690 0.89902569838918 0.69898622428303 174.967 > 5 10 Lu 0.61286985312690 0.89902569838918 0.69898622428303 174.967 > 5 *11 Lu 0.20744851248228 0.88505022008821 0.08998173345865 174.967 > 6 12 Lu 0.70744851248228 0.88505022008821 0.08998173345865 174.967 > 6 13 Lu 0.13224250482669 0.37954387063809 0.78080736603016 174.967 > 7 14 Lu 0.63224250482668 0.37954387063809 0.78080736603016 174.967 > 7 15 Lu 0.29255148751772 0.38505022008821 0.41001826654135 174.967 > 8 16 Lu 0.79255148751772 0.38505022008821 0.41001826654135 174.967 > 8 17 Lu 0.20744851248228 0.61494977991179 0.58998173345865 174.967 > 9 18 Lu 0.70744851248228 0.61494977991179 0.58998173345865 174.967 > 9 19 Lu 0.36775749517332 0.62045612936191 0.21919263396983 174.967 > 10 20 Lu 0.86775749517332 0.62045612936191 0.21919263396983 174.967 > 10 21 Lu 0.29255148751772 0.11494977991178 0.91001826654135 174.967 > 11 22 Lu 0.79255148751772 0.11494977991178 0.91001826654135 174.967 > 11 23 Lu 0.38713014687310 0.10097430161082 0.30101377571697 174.967 > 12 24 Lu 0.88713014687310 0.10097430161082 0.30101377571697 174.967 > 12 25 Lu 0.36775749517332 0.87954387063809 0.71919263396984 174.967 > 13 26 Lu 0.86775749517332 0.87954387063809 0.71919263396984 174.967 > 13 27 Lu 0.38713014687310 0.39902569838918 0.80101377571697 174.967 > 14 28 Lu 0.88713014687310 0.39902569838918 0.80101377571697 174.967 > 14 29 Lu 0.45360422275663 0.86783984404419 0.05655508200045 174.967 > 15 30 Lu 0.95360422275664 0.86783984404419 0.05655508200045 174.967 > 15 31 Lu 0.45360422275663 0.63216015595581 0.55655508200046 174.967 > 16 32 Lu 0.95360422275664 0.63216015595581 0.55655508200046 174.967 > 16 *33 Al 0.02592081623300 0.83281026645343 0.37822388067613 26.982 > 17 34 Al 0.52592081623300 0.83281026645343 0.37822388067613 26.982 > 17 35 Al 0.02592081623300 0.66718973354657 0.87822388067613 26.982 > 18 36 Al 0.52592081623300 0.66718973354657 0.87822388067613 26.982 > 18 *37 Al 0.20679817181496 0.32780718133224 0.10897535927426 26.982 > 19 38 Al 0.70679817181496 0.32780718133224 0.10897535927426 26.982 > 19 39 Al 0.29320182818504 0.82780718133224 0.39102464072574 26.982 > 20 40 Al 0.79320182818504 0.82780718133224 0.39102464072574 26.982 > 20 41 Al 0.20679817181496 0.17219281866776 0.60897535927426 26.982 > 21 42 Al 0.70679817181496 0.17219281866776 0.60897535927426 26.982 > 21 43 Al 0.29320182818504 0.67219281866776 0.89102464072574 26.982 > 22 44 Al 0.79320182818504 0.67219281866776 0.89102464072574 26.982 > 22 45 Al 0.47407918376700 0.33281026645343 0.12177611932387 26.982 > 23 46 Al 0.97407918376700 0.33281026645343 0.12177611932387 26.982 > 23 47 Al 0.47407918376700 0.16718973354657 0.62177611932387 26.982 > 24 48 Al 0.97407918376700 0.16718973354657 0.62177611932387 26.982 > 24 *49 O 0.03472277423093 0.00260149240722 0.36136473864333 15.999 > 25 50 O 0.53472277423093 0.00260149240722 0.36136473864333 15.999 > 25 *51 O 0.01197433213111 0.74943218372973 0.23167715639292 15.999 > 26 52 O 0.51197433213111 0.74943218372973 0.23167715639292 15.999 > 26 *53 O 0.08264010824562 0.00051823956811 0.10961678666881 15.999 > 27 54 O 0.58264010824562 0.00051823956811 0.10961678666881 15.999 > 27 *55 O 0.08952630150197 0.27459656507181 0.11365735482042 15.999 > 28 56 O 0.58952630150197 0.27459656507181 0.11365735482042 15.999 > 28 *57 O 0.15536623050598 0.50680140593624 0.39364631308810 15.999 > 29 58 O 0.65536623050598 0.50680140593624 0.39364631308810 15.999 > 29 59 O 0.03472277423093 0.49739850759278 0.86136473864333 15.999 > 30 60 O 0.53472277423093 0.49739850759278 0.86136473864333 15.999 > 30 61 O 0.01197433213111 0.75056781627027 0.73167715639291 15.999 > 31 62 O 0.51197433213111 0.75056781627027 0.73167715639291 15.999 > 31 *63 O 0.19163120654956 0.23984493063615 0.45611257704481 15.999 > 32 64 O 0.69163120654956 0.23984493063615 0.45611257704481 15.999 > 32 *65 O 0.09341229104322 0.73533755055321 0.02517578808918 15.999 > 33 66 O 0.59341229104322 0.73533755055321 0.02517578808918 15.999 > 33 *67 O 0.23136893813953 0.73779618972807 0.25371689794418 15.999 > 34 68 O 0.73136893813953 0.73779618972807 0.25371689794418 15.999 > 34 69 O 0.08264010824562 0.49948176043189 0.60961678666881 15.999 > 35 70 O 0.58264010824562 0.49948176043189 0.60961678666881 15.999 > 35 71 O 0.08952630150197 0.22540343492819 0.61365735482042 15.999 > 36 72 O 0.58952630150197 0.22540343492819 0.61365735482042 15.999 > 36 *73 O 0.26306264630911 0.98801490020021 0.33364579995028 15.999 > 37 74 O 0.76306264630911 0.98801490020021 0.33364579995028 15.999 > 37 75 O 0.15536623050598 0.99319859406376 0.89364631308810 15.999 > 38 76 O 0.65536623050598 0.99319859406376 0.89364631308810 15.999 > 38 77 O 0.23693735369089 0.48801490020021 0.16635420004972 15.999 > 39 78 O 0.73693735369089 0.48801490020021 0.16635420004972 15.999 > 39 79 O 0.19163120654956 0.26015506936385 0.95611257704481 15.999 > 40 80 O 0.69163120654956 0.26015506936385 0.95611257704481 15.999 > 40 81 O 0.26863106186047 0.23779618972807 0.24628310205582 15.999 > 41 82 O 0.76863106186047 0.23779618972807 0.24628310205582 15.999 > 41 83 O 0.09341229104322 0.76466244944679 0.52517578808918 15.999 > 42 84 O 0.59341229104322 0.76466244944679 0.52517578808918 15.999 > 42 85 O 0.40658770895678 0.23533755055321 0.47482421191082 15.999 > 43 86 O 0.90658770895678 0.23533755055321 0.47482421191082 15.999 > 43 87 O 0.23136893813953 0.76220381027193 0.75371689794418 15.999 > 44 88 O 0.73136893813953 0.76220381027193 0.75371689794418 15.999 > 44 89 O 0.30836879345044 0.73984493063615 0.04388742295519 15.999 > 45 90 O 0.80836879345044 0.73984493063615 0.04388742295519 15.999 > 45 91 O 0.26306264630911 0.51198509979979 0.83364579995028 15.999 > 46 92 O 0.76306264630911 0.51198509979979 0.83364579995028 15.999 > 46 93 O 0.34463376949402 0.00680140593624 0.10635368691190 15.999 > 47 94 O 0.84463376949402 0.00680140593624 0.10635368691190 15.999 > 47 95 O 0.23693735369089 0.01198509979978 0.66635420004972 15.999 > 48 96 O 0.73693735369089 0.01198509979978 0.66635420004972 15.999 > 48 97 O 0.41047369849803 0.77459656507181 0.38634264517958 15.999 > 49 98 O 0.91047369849803 0.77459656507181 0.38634264517958 15.999 > 49 99 O 0.41735989175438 0.50051823956811 0.39038321333119 15.999 > 50 100 O 0.91735989175438 0.50051823956811 0.39038321333119 15.999 > 50 101 O 0.26863106186047 0.26220381027193 0.74628310205582 15.999 > 51 102 O 0.76863106186047 0.26220381027193 0.74628310205582 15.999 > 51 103 O 0.40658770895678 0.26466244944679 0.97482421191082 15.999 > 52 104 O 0.90658770895678 0.26466244944679 0.97482421191082 15.999 > 52 105 O 0.30836879345044 0.76015506936385 0.54388742295519 15.999 > 53 106 O 0.80836879345044 0.76015506936385 0.54388742295519 15.999 > 53 107 O 0.48802566786889 0.24943218372973 0.26832284360709 15.999 > 54 108 O 0.98802566786889 0.24943218372973 0.26832284360709 15.999 > 54 109 O 0.46527722576907 0.50260149240722 0.13863526135667 15.999 > 55 110 O 0.96527722576907 0.50260149240722 0.13863526135667 15.999 > 55 111 O 0.34463376949402 0.49319859406376 0.60635368691190 15.999 > 56 112 O 0.84463376949402 0.49319859406376 0.60635368691190 15.999 > 56 113 O 0.41047369849803 0.72540343492819 0.88634264517958 15.999 > 57 114 O 0.91047369849803 0.72540343492819 0.88634264517958 15.999 > 57 115 O 0.41735989175438 0.99948176043189 0.89038321333119 15.999 > 58 116 O 0.91735989175438 0.99948176043189 0.89038321333119 15.999 > 58 117 O 0.48802566786889 0.25056781627028 0.76832284360709 15.999 > 59 118 O 0.98802566786889 0.25056781627028 0.76832284360709 15.999 > 59 119 O 0.46527722576907 0.99739850759278 0.63863526135667 15.999 > 60 120 O 0.96527722576907 0.99739850759278 0.63863526135667 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7456144 0.0000000 0.0211100 0.0000000 3.7317431 0.0000000 0.0211292 0.0000000 3.6495520 -------------------------- Born effective charges -------------------------- 1 Lu 3.6874698 0.0111750 0.1171438 -0.0339775 3.7257691 0.2183393 0.0316692 0.1821177 3.4761178 2 Lu 3.6874698 -0.0111750 0.1171438 0.0339775 3.7257691 -0.2183393 0.0316692 -0.1821177 3.4761178 3 Lu 4.1358678 0.0498892 0.0913809 0.0263639 3.7239517 -0.4215912 0.1239201 -0.5086111 3.2928005 4 Lu 3.8294942 0.0593211 -0.0439369 0.0235015 3.6224851 0.3012083 -0.0338413 0.3845734 3.5444799 5 Lu 4.1358678 -0.0498892 0.0913809 -0.0263639 3.7239517 0.4215912 0.1239201 0.5086111 3.2928005 6 Lu 3.9363680 0.0626579 0.0037445 0.0084136 3.7038230 -0.3145489 0.0774955 -0.3459238 3.2396237 7 Lu 3.8294942 -0.0593211 -0.0439369 -0.0235015 3.6224851 -0.3012083 -0.0338413 -0.3845734 3.5444799 8 Lu 3.9363680 -0.0626579 0.0037445 -0.0084136 3.7038230 0.3145489 0.0774955 0.3459238 3.2396237 9 Lu 3.9363680 -0.0626579 0.0037445 -0.0084136 3.7038230 0.3145489 0.0774955 0.3459238 3.2396237 10 Lu 3.8294942 -0.0593211 -0.0439369 -0.0235015 3.6224851 -0.3012083 -0.0338413 -0.3845734 3.5444799 11 Lu 3.9363680 0.0626579 0.0037445 0.0084136 3.7038230 -0.3145489 0.0774955 -0.3459238 3.2396237 12 Lu 4.1358678 -0.0498892 0.0913809 -0.0263639 3.7239517 0.4215912 0.1239201 0.5086111 3.2928005 13 Lu 3.8294942 0.0593211 -0.0439369 0.0235015 3.6224851 0.3012083 -0.0338413 0.3845734 3.5444799 14 Lu 4.1358678 0.0498892 0.0913809 0.0263639 3.7239517 -0.4215912 0.1239201 -0.5086111 3.2928005 15 Lu 3.6874698 -0.0111750 0.1171438 0.0339775 3.7257691 -0.2183393 0.0316692 -0.1821177 3.4761178 16 Lu 3.6874698 0.0111750 0.1171438 -0.0339775 3.7257691 0.2183393 0.0316692 0.1821177 3.4761178 17 Al 2.2438163 0.1451911 -0.0173480 0.2017434 2.7096472 -0.1743741 -0.0261481 -0.1663599 2.8023337 18 Al 2.2438163 -0.1451911 -0.0173480 -0.2017434 2.7096472 0.1743741 -0.0261481 0.1663599 2.8023337 19 Al 2.3018080 0.1220811 0.1124618 0.1788836 2.6050316 0.2204559 0.0623547 0.3054375 2.9061066 20 Al 2.3018080 -0.1220811 0.1124618 -0.1788836 2.6050316 -0.2204559 0.0623547 -0.3054375 2.9061066 21 Al 2.3018080 -0.1220811 0.1124618 -0.1788836 2.6050316 -0.2204559 0.0623547 -0.3054375 2.9061066 22 Al 2.3018080 0.1220811 0.1124618 0.1788836 2.6050316 0.2204559 0.0623547 0.3054375 2.9061066 23 Al 2.2438163 -0.1451911 -0.0173480 -0.2017434 2.7096472 0.1743741 -0.0261481 0.1663599 2.8023337 24 Al 2.2438163 0.1451911 -0.0173480 0.2017434 2.7096472 -0.1743741 -0.0261481 -0.1663599 2.8023337 25 O -2.3552986 -0.1558866 0.0872720 -0.1225830 -2.3985875 0.3225678 0.0974385 0.2611403 -1.6866664 26 O -2.1606678 0.2798176 0.1271020 0.1825651 -2.2311860 0.1863727 0.0476196 0.1487085 -2.2287993 27 O -2.3869924 -0.0445306 -0.1750603 -0.0271275 -2.4247711 -0.1950114 -0.1255653 -0.1786492 -2.4581796 28 O -2.1580702 0.0047983 -0.0138318 0.0189917 -1.9019145 -0.1167557 0.0010491 -0.1644408 -2.0131140 29 O -2.3341710 -0.0466336 0.1339021 -0.0234061 -2.1633534 0.1705585 0.0705991 0.1195027 -2.5682305 30 O -2.3552986 0.1558866 0.0872720 0.1225830 -2.3985875 -0.3225678 0.0974385 -0.2611403 -1.6866664 31 O -2.1606678 -0.2798176 0.1271020 -0.1825651 -2.2311860 -0.1863727 0.0476196 -0.1487085 -2.2287993 32 O -2.1498183 -0.2434031 0.1545717 -0.1520613 -2.0960647 -0.1436361 0.0655990 -0.0950688 -2.3526499 33 O -2.0676970 -0.3072684 -0.2268096 -0.2239659 -2.1925639 -0.0392694 -0.1349605 -0.0186670 -2.2288633 34 O -2.2305433 -0.3306422 -0.2088984 -0.2281800 -2.2869851 0.0501437 -0.1311801 0.0888660 -2.0241269 35 O -2.3869924 0.0445306 -0.1750603 0.0271275 -2.4247711 0.1950114 -0.1255653 0.1786492 -2.4581796 36 O -2.1580702 -0.0047983 -0.0138318 -0.0189917 -1.9019145 0.1167557 0.0010491 0.1644408 -2.0131140 37 O -2.2915653 0.1246153 -0.1416939 0.1038254 -2.3952816 0.2678606 -0.1260493 0.2039881 -1.7008324 38 O -2.3341710 0.0466336 0.1339021 0.0234061 -2.1633534 -0.1705585 0.0705991 -0.1195027 -2.5682305 39 O -2.2915653 -0.1246153 -0.1416939 -0.1038254 -2.3952816 -0.2678606 -0.1260493 -0.2039881 -1.7008324 40 O -2.1498183 0.2434031 0.1545717 0.1520613 -2.0960647 0.1436361 0.0655990 0.0950688 -2.3526499 41 O -2.2305433 0.3306422 -0.2088984 0.2281800 -2.2869851 -0.0501437 -0.1311801 -0.0888660 -2.0241269 42 O -2.0676970 0.3072684 -0.2268096 0.2239659 -2.1925639 0.0392694 -0.1349605 0.0186670 -2.2288633 43 O -2.0676970 0.3072684 -0.2268096 0.2239659 -2.1925639 0.0392694 -0.1349605 0.0186670 -2.2288633 44 O -2.2305433 0.3306422 -0.2088984 0.2281800 -2.2869851 -0.0501437 -0.1311801 -0.0888660 -2.0241269 45 O -2.1498183 0.2434031 0.1545717 0.1520613 -2.0960647 0.1436361 0.0655990 0.0950688 -2.3526499 46 O -2.2915653 -0.1246153 -0.1416939 -0.1038254 -2.3952816 -0.2678606 -0.1260493 -0.2039881 -1.7008324 47 O -2.3341710 0.0466336 0.1339021 0.0234061 -2.1633534 -0.1705585 0.0705991 -0.1195027 -2.5682305 48 O -2.2915653 0.1246153 -0.1416939 0.1038254 -2.3952816 0.2678606 -0.1260493 0.2039881 -1.7008324 49 O -2.1580702 -0.0047983 -0.0138318 -0.0189917 -1.9019145 0.1167557 0.0010491 0.1644408 -2.0131140 50 O -2.3869924 0.0445306 -0.1750603 0.0271275 -2.4247711 0.1950114 -0.1255653 0.1786492 -2.4581796 51 O -2.2305433 -0.3306422 -0.2088984 -0.2281800 -2.2869851 0.0501437 -0.1311801 0.0888660 -2.0241269 52 O -2.0676970 -0.3072684 -0.2268096 -0.2239659 -2.1925639 -0.0392694 -0.1349605 -0.0186670 -2.2288633 53 O -2.1498183 -0.2434031 0.1545717 -0.1520613 -2.0960647 -0.1436361 0.0655990 -0.0950688 -2.3526499 54 O -2.1606678 -0.2798176 0.1271020 -0.1825651 -2.2311860 -0.1863727 0.0476196 -0.1487085 -2.2287993 55 O -2.3552986 0.1558866 0.0872720 0.1225830 -2.3985875 -0.3225678 0.0974385 -0.2611403 -1.6866664 56 O -2.3341710 -0.0466336 0.1339021 -0.0234061 -2.1633534 0.1705585 0.0705991 0.1195027 -2.5682305 57 O -2.1580702 0.0047983 -0.0138318 0.0189917 -1.9019145 -0.1167557 0.0010491 -0.1644408 -2.0131140 58 O -2.3869924 -0.0445306 -0.1750603 -0.0271275 -2.4247711 -0.1950114 -0.1255653 -0.1786492 -2.4581796 59 O -2.1606678 0.2798176 0.1271020 0.1825651 -2.2311860 0.1863727 0.0476196 0.1487085 -2.2287993 60 O -2.3552986 -0.1558866 0.0872720 -0.1225830 -2.3985875 0.3225678 0.0974385 0.2611403 -1.6866664 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.462 Solver_block: 200 / 1840 - Time: 2.145 Solver_block: 300 / 1840 - Time: 2.136 Solver_block: 400 / 1840 - Time: 2.151 Solver_block: 500 / 1840 - Time: 2.148 Solver_block: 600 / 1840 - Time: 2.149 Solver_block: 700 / 1840 - Time: 2.144 Solver_block: 800 / 1840 - Time: 2.144 Solver_block: 900 / 1840 - Time: 2.147 Solver_block: 1000 / 1840 - Time: 2.155 Solver_block: 1100 / 1840 - Time: 2.155 Solver_block: 1200 / 1840 - Time: 2.156 Solver_block: 1300 / 1840 - Time: 2.145 Solver_block: 1400 / 1840 - Time: 2.145 Solver_block: 1500 / 1840 - Time: 2.152 Solver_block: 1600 / 1840 - Time: 2.151 Solver_block: 1700 / 1840 - Time: 2.144 Solver_block: 1800 / 1840 - Time: 2.142 Solver_block: 1840 / 1840 - Time: 1.056 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 41.151 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: 0.00000000 (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 2026-01-09 03:49:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:49:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.076122920031190 0.000000000000000 0.000000000000000 b 0.000000000000000 10.128051779999998 0.000000000000000 c -3.316440472284198 0.000000000000000 10.413025267022146 Atomic positions (fractional): 1 Lu 0.09279155448673 0.36783984404419 0.44344491799954 174.967 2 Lu 0.09279155448673 0.13216015595581 0.94344491799954 174.967 3 Lu 0.22573970625380 0.60097430161082 0.19898622428303 174.967 4 Lu 0.26448500965337 0.12045612936191 0.28080736603016 174.967 5 Lu 0.22573970625380 0.89902569838918 0.69898622428303 174.967 6 Lu 0.41489702496455 0.88505022008821 0.08998173345865 174.967 7 Lu 0.26448500965337 0.37954387063809 0.78080736603016 174.967 8 Lu 0.58510297503545 0.38505022008821 0.41001826654135 174.967 9 Lu 0.41489702496455 0.61494977991179 0.58998173345865 174.967 10 Lu 0.73551499034663 0.62045612936191 0.21919263396983 174.967 11 Lu 0.58510297503545 0.11494977991178 0.91001826654135 174.967 12 Lu 0.77426029374620 0.10097430161082 0.30101377571697 174.967 13 Lu 0.73551499034663 0.87954387063809 0.71919263396984 174.967 14 Lu 0.77426029374620 0.39902569838918 0.80101377571697 174.967 15 Lu 0.90720844551327 0.86783984404419 0.05655508200045 174.967 16 Lu 0.90720844551327 0.63216015595581 0.55655508200046 174.967 17 Al 0.05184163246600 0.83281026645343 0.37822388067613 26.982 18 Al 0.05184163246600 0.66718973354657 0.87822388067613 26.982 19 Al 0.41359634362992 0.32780718133224 0.10897535927426 26.982 20 Al 0.58640365637008 0.82780718133224 0.39102464072574 26.982 21 Al 0.41359634362992 0.17219281866776 0.60897535927426 26.982 22 Al 0.58640365637008 0.67219281866776 0.89102464072574 26.982 23 Al 0.94815836753400 0.33281026645343 0.12177611932387 26.982 24 Al 0.94815836753400 0.16718973354657 0.62177611932387 26.982 25 O 0.06944554846186 0.00260149240722 0.36136473864333 15.999 26 O 0.02394866426222 0.74943218372973 0.23167715639292 15.999 27 O 0.16528021649125 0.00051823956811 0.10961678666881 15.999 28 O 0.17905260300394 0.27459656507181 0.11365735482042 15.999 29 O 0.31073246101196 0.50680140593624 0.39364631308810 15.999 30 O 0.06944554846186 0.49739850759278 0.86136473864333 15.999 31 O 0.02394866426222 0.75056781627027 0.73167715639291 15.999 32 O 0.38326241309912 0.23984493063615 0.45611257704481 15.999 33 O 0.18682458208644 0.73533755055321 0.02517578808918 15.999 34 O 0.46273787627905 0.73779618972807 0.25371689794418 15.999 35 O 0.16528021649125 0.49948176043189 0.60961678666881 15.999 36 O 0.17905260300394 0.22540343492819 0.61365735482042 15.999 37 O 0.52612529261822 0.98801490020021 0.33364579995028 15.999 38 O 0.31073246101196 0.99319859406376 0.89364631308810 15.999 39 O 0.47387470738178 0.48801490020021 0.16635420004972 15.999 40 O 0.38326241309912 0.26015506936385 0.95611257704481 15.999 41 O 0.53726212372095 0.23779618972807 0.24628310205582 15.999 42 O 0.18682458208644 0.76466244944679 0.52517578808918 15.999 43 O 0.81317541791356 0.23533755055321 0.47482421191082 15.999 44 O 0.46273787627905 0.76220381027193 0.75371689794418 15.999 45 O 0.61673758690088 0.73984493063615 0.04388742295519 15.999 46 O 0.52612529261822 0.51198509979979 0.83364579995028 15.999 47 O 0.68926753898804 0.00680140593624 0.10635368691190 15.999 48 O 0.47387470738178 0.01198509979978 0.66635420004972 15.999 49 O 0.82094739699606 0.77459656507181 0.38634264517958 15.999 50 O 0.83471978350875 0.50051823956811 0.39038321333119 15.999 51 O 0.53726212372095 0.26220381027193 0.74628310205582 15.999 52 O 0.81317541791356 0.26466244944679 0.97482421191082 15.999 53 O 0.61673758690088 0.76015506936385 0.54388742295519 15.999 54 O 0.97605133573778 0.24943218372973 0.26832284360709 15.999 55 O 0.93055445153814 0.50260149240722 0.13863526135667 15.999 56 O 0.68926753898804 0.49319859406376 0.60635368691190 15.999 57 O 0.82094739699606 0.72540343492819 0.88634264517958 15.999 58 O 0.83471978350875 0.99948176043189 0.89038321333119 15.999 59 O 0.97605133573778 0.25056781627028 0.76832284360709 15.999 60 O 0.93055445153814 0.99739850759278 0.63863526135667 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.152245840062379 0.000000000000000 0.000000000000000 b 0.000000000000000 10.128051779999998 0.000000000000000 c -3.316440472284198 0.000000000000000 10.413025267022146 Atomic positions (fractional): 1 Lu 0.04639577724337 0.36783984404419 0.44344491799954 174.967 > 1 2 Lu 0.54639577724336 0.36783984404419 0.44344491799954 174.967 > 1 3 Lu 0.04639577724337 0.13216015595581 0.94344491799954 174.967 > 3 4 Lu 0.54639577724336 0.13216015595581 0.94344491799954 174.967 > 3 5 Lu 0.11286985312690 0.60097430161082 0.19898622428303 174.967 > 5 6 Lu 0.61286985312690 0.60097430161082 0.19898622428303 174.967 > 5 7 Lu 0.13224250482669 0.12045612936191 0.28080736603016 174.967 > 7 8 Lu 0.63224250482668 0.12045612936191 0.28080736603016 174.967 > 7 9 Lu 0.11286985312690 0.89902569838918 0.69898622428303 174.967 > 9 10 Lu 0.61286985312690 0.89902569838918 0.69898622428303 174.967 > 9 11 Lu 0.20744851248228 0.88505022008821 0.08998173345865 174.967 > 11 12 Lu 0.70744851248228 0.88505022008821 0.08998173345865 174.967 > 11 13 Lu 0.13224250482669 0.37954387063809 0.78080736603016 174.967 > 13 14 Lu 0.63224250482668 0.37954387063809 0.78080736603016 174.967 > 13 15 Lu 0.29255148751772 0.38505022008821 0.41001826654135 174.967 > 15 16 Lu 0.79255148751772 0.38505022008821 0.41001826654135 174.967 > 15 17 Lu 0.20744851248228 0.61494977991179 0.58998173345865 174.967 > 17 18 Lu 0.70744851248228 0.61494977991179 0.58998173345865 174.967 > 17 19 Lu 0.36775749517332 0.62045612936191 0.21919263396983 174.967 > 19 20 Lu 0.86775749517332 0.62045612936191 0.21919263396983 174.967 > 19 21 Lu 0.29255148751772 0.11494977991178 0.91001826654135 174.967 > 21 22 Lu 0.79255148751772 0.11494977991178 0.91001826654135 174.967 > 21 23 Lu 0.38713014687310 0.10097430161082 0.30101377571697 174.967 > 23 24 Lu 0.88713014687310 0.10097430161082 0.30101377571697 174.967 > 23 25 Lu 0.36775749517332 0.87954387063809 0.71919263396984 174.967 > 25 26 Lu 0.86775749517332 0.87954387063809 0.71919263396984 174.967 > 25 27 Lu 0.38713014687310 0.39902569838918 0.80101377571697 174.967 > 27 28 Lu 0.88713014687310 0.39902569838918 0.80101377571697 174.967 > 27 29 Lu 0.45360422275663 0.86783984404419 0.05655508200045 174.967 > 29 30 Lu 0.95360422275664 0.86783984404419 0.05655508200045 174.967 > 29 31 Lu 0.45360422275663 0.63216015595581 0.55655508200046 174.967 > 31 32 Lu 0.95360422275664 0.63216015595581 0.55655508200046 174.967 > 31 33 Al 0.02592081623300 0.83281026645343 0.37822388067613 26.982 > 33 34 Al 0.52592081623300 0.83281026645343 0.37822388067613 26.982 > 33 35 Al 0.02592081623300 0.66718973354657 0.87822388067613 26.982 > 35 36 Al 0.52592081623300 0.66718973354657 0.87822388067613 26.982 > 35 37 Al 0.20679817181496 0.32780718133224 0.10897535927426 26.982 > 37 38 Al 0.70679817181496 0.32780718133224 0.10897535927426 26.982 > 37 39 Al 0.29320182818504 0.82780718133224 0.39102464072574 26.982 > 39 40 Al 0.79320182818504 0.82780718133224 0.39102464072574 26.982 > 39 41 Al 0.20679817181496 0.17219281866776 0.60897535927426 26.982 > 41 42 Al 0.70679817181496 0.17219281866776 0.60897535927426 26.982 > 41 43 Al 0.29320182818504 0.67219281866776 0.89102464072574 26.982 > 43 44 Al 0.79320182818504 0.67219281866776 0.89102464072574 26.982 > 43 45 Al 0.47407918376700 0.33281026645343 0.12177611932387 26.982 > 45 46 Al 0.97407918376700 0.33281026645343 0.12177611932387 26.982 > 45 47 Al 0.47407918376700 0.16718973354657 0.62177611932387 26.982 > 47 48 Al 0.97407918376700 0.16718973354657 0.62177611932387 26.982 > 47 49 O 0.03472277423093 0.00260149240722 0.36136473864333 15.999 > 49 50 O 0.53472277423093 0.00260149240722 0.36136473864333 15.999 > 49 51 O 0.01197433213111 0.74943218372973 0.23167715639292 15.999 > 51 52 O 0.51197433213111 0.74943218372973 0.23167715639292 15.999 > 51 53 O 0.08264010824562 0.00051823956811 0.10961678666881 15.999 > 53 54 O 0.58264010824562 0.00051823956811 0.10961678666881 15.999 > 53 55 O 0.08952630150197 0.27459656507181 0.11365735482042 15.999 > 55 56 O 0.58952630150197 0.27459656507181 0.11365735482042 15.999 > 55 57 O 0.15536623050598 0.50680140593624 0.39364631308810 15.999 > 57 58 O 0.65536623050598 0.50680140593624 0.39364631308810 15.999 > 57 59 O 0.03472277423093 0.49739850759278 0.86136473864333 15.999 > 59 60 O 0.53472277423093 0.49739850759278 0.86136473864333 15.999 > 59 61 O 0.01197433213111 0.75056781627027 0.73167715639291 15.999 > 61 62 O 0.51197433213111 0.75056781627027 0.73167715639291 15.999 > 61 63 O 0.19163120654956 0.23984493063615 0.45611257704481 15.999 > 63 64 O 0.69163120654956 0.23984493063615 0.45611257704481 15.999 > 63 65 O 0.09341229104322 0.73533755055321 0.02517578808918 15.999 > 65 66 O 0.59341229104322 0.73533755055321 0.02517578808918 15.999 > 65 67 O 0.23136893813953 0.73779618972807 0.25371689794418 15.999 > 67 68 O 0.73136893813953 0.73779618972807 0.25371689794418 15.999 > 67 69 O 0.08264010824562 0.49948176043189 0.60961678666881 15.999 > 69 70 O 0.58264010824562 0.49948176043189 0.60961678666881 15.999 > 69 71 O 0.08952630150197 0.22540343492819 0.61365735482042 15.999 > 71 72 O 0.58952630150197 0.22540343492819 0.61365735482042 15.999 > 71 73 O 0.26306264630911 0.98801490020021 0.33364579995028 15.999 > 73 74 O 0.76306264630911 0.98801490020021 0.33364579995028 15.999 > 73 75 O 0.15536623050598 0.99319859406376 0.89364631308810 15.999 > 75 76 O 0.65536623050598 0.99319859406376 0.89364631308810 15.999 > 75 77 O 0.23693735369089 0.48801490020021 0.16635420004972 15.999 > 77 78 O 0.73693735369089 0.48801490020021 0.16635420004972 15.999 > 77 79 O 0.19163120654956 0.26015506936385 0.95611257704481 15.999 > 79 80 O 0.69163120654956 0.26015506936385 0.95611257704481 15.999 > 79 81 O 0.26863106186047 0.23779618972807 0.24628310205582 15.999 > 81 82 O 0.76863106186047 0.23779618972807 0.24628310205582 15.999 > 81 83 O 0.09341229104322 0.76466244944679 0.52517578808918 15.999 > 83 84 O 0.59341229104322 0.76466244944679 0.52517578808918 15.999 > 83 85 O 0.40658770895678 0.23533755055321 0.47482421191082 15.999 > 85 86 O 0.90658770895678 0.23533755055321 0.47482421191082 15.999 > 85 87 O 0.23136893813953 0.76220381027193 0.75371689794418 15.999 > 87 88 O 0.73136893813953 0.76220381027193 0.75371689794418 15.999 > 87 89 O 0.30836879345044 0.73984493063615 0.04388742295519 15.999 > 89 90 O 0.80836879345044 0.73984493063615 0.04388742295519 15.999 > 89 91 O 0.26306264630911 0.51198509979979 0.83364579995028 15.999 > 91 92 O 0.76306264630911 0.51198509979979 0.83364579995028 15.999 > 91 93 O 0.34463376949402 0.00680140593624 0.10635368691190 15.999 > 93 94 O 0.84463376949402 0.00680140593624 0.10635368691190 15.999 > 93 95 O 0.23693735369089 0.01198509979978 0.66635420004972 15.999 > 95 96 O 0.73693735369089 0.01198509979978 0.66635420004972 15.999 > 95 97 O 0.41047369849803 0.77459656507181 0.38634264517958 15.999 > 97 98 O 0.91047369849803 0.77459656507181 0.38634264517958 15.999 > 97 99 O 0.41735989175438 0.50051823956811 0.39038321333119 15.999 > 99 100 O 0.91735989175438 0.50051823956811 0.39038321333119 15.999 > 99 101 O 0.26863106186047 0.26220381027193 0.74628310205582 15.999 > 101 102 O 0.76863106186047 0.26220381027193 0.74628310205582 15.999 > 101 103 O 0.40658770895678 0.26466244944679 0.97482421191082 15.999 > 103 104 O 0.90658770895678 0.26466244944679 0.97482421191082 15.999 > 103 105 O 0.30836879345044 0.76015506936385 0.54388742295519 15.999 > 105 106 O 0.80836879345044 0.76015506936385 0.54388742295519 15.999 > 105 107 O 0.48802566786889 0.24943218372973 0.26832284360709 15.999 > 107 108 O 0.98802566786889 0.24943218372973 0.26832284360709 15.999 > 107 109 O 0.46527722576907 0.50260149240722 0.13863526135667 15.999 > 109 110 O 0.96527722576907 0.50260149240722 0.13863526135667 15.999 > 109 111 O 0.34463376949402 0.49319859406376 0.60635368691190 15.999 > 111 112 O 0.84463376949402 0.49319859406376 0.60635368691190 15.999 > 111 113 O 0.41047369849803 0.72540343492819 0.88634264517958 15.999 > 113 114 O 0.91047369849803 0.72540343492819 0.88634264517958 15.999 > 113 115 O 0.41735989175438 0.99948176043189 0.89038321333119 15.999 > 115 116 O 0.91735989175438 0.99948176043189 0.89038321333119 15.999 > 115 117 O 0.48802566786889 0.25056781627028 0.76832284360709 15.999 > 117 118 O 0.98802566786889 0.25056781627028 0.76832284360709 15.999 > 117 119 O 0.46527722576907 0.99739850759278 0.63863526135667 15.999 > 119 120 O 0.96527722576907 0.99739850759278 0.63863526135667 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7456144 0.0000000 0.0211100 0.0000000 3.7317431 0.0000000 0.0211292 0.0000000 3.6495520 -------------------------- Born effective charges -------------------------- 1 Lu 3.6874698 0.0111750 0.1171438 -0.0339775 3.7257691 0.2183393 0.0316692 0.1821177 3.4761178 2 Lu 3.6874698 -0.0111750 0.1171438 0.0339775 3.7257691 -0.2183393 0.0316692 -0.1821177 3.4761178 3 Lu 4.1358678 0.0498892 0.0913809 0.0263639 3.7239517 -0.4215912 0.1239201 -0.5086111 3.2928005 4 Lu 3.8294942 0.0593211 -0.0439369 0.0235015 3.6224851 0.3012083 -0.0338413 0.3845734 3.5444799 5 Lu 4.1358678 -0.0498892 0.0913809 -0.0263639 3.7239517 0.4215912 0.1239201 0.5086111 3.2928005 6 Lu 3.9363680 0.0626579 0.0037445 0.0084136 3.7038230 -0.3145489 0.0774955 -0.3459238 3.2396237 7 Lu 3.8294942 -0.0593211 -0.0439369 -0.0235015 3.6224851 -0.3012083 -0.0338413 -0.3845734 3.5444799 8 Lu 3.9363680 -0.0626579 0.0037445 -0.0084136 3.7038230 0.3145489 0.0774955 0.3459238 3.2396237 9 Lu 3.9363680 -0.0626579 0.0037445 -0.0084136 3.7038230 0.3145489 0.0774955 0.3459238 3.2396237 10 Lu 3.8294942 -0.0593211 -0.0439369 -0.0235015 3.6224851 -0.3012083 -0.0338413 -0.3845734 3.5444799 11 Lu 3.9363680 0.0626579 0.0037445 0.0084136 3.7038230 -0.3145489 0.0774955 -0.3459238 3.2396237 12 Lu 4.1358678 -0.0498892 0.0913809 -0.0263639 3.7239517 0.4215912 0.1239201 0.5086111 3.2928005 13 Lu 3.8294942 0.0593211 -0.0439369 0.0235015 3.6224851 0.3012083 -0.0338413 0.3845734 3.5444799 14 Lu 4.1358678 0.0498892 0.0913809 0.0263639 3.7239517 -0.4215912 0.1239201 -0.5086111 3.2928005 15 Lu 3.6874698 -0.0111750 0.1171438 0.0339775 3.7257691 -0.2183393 0.0316692 -0.1821177 3.4761178 16 Lu 3.6874698 0.0111750 0.1171438 -0.0339775 3.7257691 0.2183393 0.0316692 0.1821177 3.4761178 17 Al 2.2438163 0.1451911 -0.0173480 0.2017434 2.7096472 -0.1743741 -0.0261481 -0.1663599 2.8023337 18 Al 2.2438163 -0.1451911 -0.0173480 -0.2017434 2.7096472 0.1743741 -0.0261481 0.1663599 2.8023337 19 Al 2.3018080 0.1220811 0.1124618 0.1788836 2.6050316 0.2204559 0.0623547 0.3054375 2.9061066 20 Al 2.3018080 -0.1220811 0.1124618 -0.1788836 2.6050316 -0.2204559 0.0623547 -0.3054375 2.9061066 21 Al 2.3018080 -0.1220811 0.1124618 -0.1788836 2.6050316 -0.2204559 0.0623547 -0.3054375 2.9061066 22 Al 2.3018080 0.1220811 0.1124618 0.1788836 2.6050316 0.2204559 0.0623547 0.3054375 2.9061066 23 Al 2.2438163 -0.1451911 -0.0173480 -0.2017434 2.7096472 0.1743741 -0.0261481 0.1663599 2.8023337 24 Al 2.2438163 0.1451911 -0.0173480 0.2017434 2.7096472 -0.1743741 -0.0261481 -0.1663599 2.8023337 25 O -2.3552986 -0.1558866 0.0872720 -0.1225830 -2.3985875 0.3225678 0.0974385 0.2611403 -1.6866664 26 O -2.1606678 0.2798176 0.1271020 0.1825651 -2.2311860 0.1863727 0.0476196 0.1487085 -2.2287993 27 O -2.3869924 -0.0445306 -0.1750603 -0.0271275 -2.4247711 -0.1950114 -0.1255653 -0.1786492 -2.4581796 28 O -2.1580702 0.0047983 -0.0138318 0.0189917 -1.9019145 -0.1167557 0.0010491 -0.1644408 -2.0131140 29 O -2.3341710 -0.0466336 0.1339021 -0.0234061 -2.1633534 0.1705585 0.0705991 0.1195027 -2.5682305 30 O -2.3552986 0.1558866 0.0872720 0.1225830 -2.3985875 -0.3225678 0.0974385 -0.2611403 -1.6866664 31 O -2.1606678 -0.2798176 0.1271020 -0.1825651 -2.2311860 -0.1863727 0.0476196 -0.1487085 -2.2287993 32 O -2.1498183 -0.2434031 0.1545717 -0.1520613 -2.0960647 -0.1436361 0.0655990 -0.0950688 -2.3526499 33 O -2.0676970 -0.3072684 -0.2268096 -0.2239659 -2.1925639 -0.0392694 -0.1349605 -0.0186670 -2.2288633 34 O -2.2305433 -0.3306422 -0.2088984 -0.2281800 -2.2869851 0.0501437 -0.1311801 0.0888660 -2.0241269 35 O -2.3869924 0.0445306 -0.1750603 0.0271275 -2.4247711 0.1950114 -0.1255653 0.1786492 -2.4581796 36 O -2.1580702 -0.0047983 -0.0138318 -0.0189917 -1.9019145 0.1167557 0.0010491 0.1644408 -2.0131140 37 O -2.2915653 0.1246153 -0.1416939 0.1038254 -2.3952816 0.2678606 -0.1260493 0.2039881 -1.7008324 38 O -2.3341710 0.0466336 0.1339021 0.0234061 -2.1633534 -0.1705585 0.0705991 -0.1195027 -2.5682305 39 O -2.2915653 -0.1246153 -0.1416939 -0.1038254 -2.3952816 -0.2678606 -0.1260493 -0.2039881 -1.7008324 40 O -2.1498183 0.2434031 0.1545717 0.1520613 -2.0960647 0.1436361 0.0655990 0.0950688 -2.3526499 41 O -2.2305433 0.3306422 -0.2088984 0.2281800 -2.2869851 -0.0501437 -0.1311801 -0.0888660 -2.0241269 42 O -2.0676970 0.3072684 -0.2268096 0.2239659 -2.1925639 0.0392694 -0.1349605 0.0186670 -2.2288633 43 O -2.0676970 0.3072684 -0.2268096 0.2239659 -2.1925639 0.0392694 -0.1349605 0.0186670 -2.2288633 44 O -2.2305433 0.3306422 -0.2088984 0.2281800 -2.2869851 -0.0501437 -0.1311801 -0.0888660 -2.0241269 45 O -2.1498183 0.2434031 0.1545717 0.1520613 -2.0960647 0.1436361 0.0655990 0.0950688 -2.3526499 46 O -2.2915653 -0.1246153 -0.1416939 -0.1038254 -2.3952816 -0.2678606 -0.1260493 -0.2039881 -1.7008324 47 O -2.3341710 0.0466336 0.1339021 0.0234061 -2.1633534 -0.1705585 0.0705991 -0.1195027 -2.5682305 48 O -2.2915653 0.1246153 -0.1416939 0.1038254 -2.3952816 0.2678606 -0.1260493 0.2039881 -1.7008324 49 O -2.1580702 -0.0047983 -0.0138318 -0.0189917 -1.9019145 0.1167557 0.0010491 0.1644408 -2.0131140 50 O -2.3869924 0.0445306 -0.1750603 0.0271275 -2.4247711 0.1950114 -0.1255653 0.1786492 -2.4581796 51 O -2.2305433 -0.3306422 -0.2088984 -0.2281800 -2.2869851 0.0501437 -0.1311801 0.0888660 -2.0241269 52 O -2.0676970 -0.3072684 -0.2268096 -0.2239659 -2.1925639 -0.0392694 -0.1349605 -0.0186670 -2.2288633 53 O -2.1498183 -0.2434031 0.1545717 -0.1520613 -2.0960647 -0.1436361 0.0655990 -0.0950688 -2.3526499 54 O -2.1606678 -0.2798176 0.1271020 -0.1825651 -2.2311860 -0.1863727 0.0476196 -0.1487085 -2.2287993 55 O -2.3552986 0.1558866 0.0872720 0.1225830 -2.3985875 -0.3225678 0.0974385 -0.2611403 -1.6866664 56 O -2.3341710 -0.0466336 0.1339021 -0.0234061 -2.1633534 0.1705585 0.0705991 0.1195027 -2.5682305 57 O -2.1580702 0.0047983 -0.0138318 0.0189917 -1.9019145 -0.1167557 0.0010491 -0.1644408 -2.0131140 58 O -2.3869924 -0.0445306 -0.1750603 -0.0271275 -2.4247711 -0.1950114 -0.1255653 -0.1786492 -2.4581796 59 O -2.1606678 0.2798176 0.1271020 0.1825651 -2.2311860 0.1863727 0.0476196 0.1487085 -2.2287993 60 O -2.3552986 -0.1558866 0.0872720 -0.1225830 -2.3985875 0.3225678 0.0974385 0.2611403 -1.6866664 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:50:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:50:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.076122920031190 0.000000000000000 0.000000000000000 b 0.000000000000000 10.128051779999998 0.000000000000000 c -3.316440472284198 0.000000000000000 10.413025267022146 Atomic positions (fractional): 1 Lu 0.09279155448673 0.36783984404419 0.44344491799954 174.967 2 Lu 0.09279155448673 0.13216015595581 0.94344491799954 174.967 3 Lu 0.22573970625380 0.60097430161082 0.19898622428303 174.967 4 Lu 0.26448500965337 0.12045612936191 0.28080736603016 174.967 5 Lu 0.22573970625380 0.89902569838918 0.69898622428303 174.967 6 Lu 0.41489702496455 0.88505022008821 0.08998173345865 174.967 7 Lu 0.26448500965337 0.37954387063809 0.78080736603016 174.967 8 Lu 0.58510297503545 0.38505022008821 0.41001826654135 174.967 9 Lu 0.41489702496455 0.61494977991179 0.58998173345865 174.967 10 Lu 0.73551499034663 0.62045612936191 0.21919263396983 174.967 11 Lu 0.58510297503545 0.11494977991178 0.91001826654135 174.967 12 Lu 0.77426029374620 0.10097430161082 0.30101377571697 174.967 13 Lu 0.73551499034663 0.87954387063809 0.71919263396984 174.967 14 Lu 0.77426029374620 0.39902569838918 0.80101377571697 174.967 15 Lu 0.90720844551327 0.86783984404419 0.05655508200045 174.967 16 Lu 0.90720844551327 0.63216015595581 0.55655508200046 174.967 17 Al 0.05184163246600 0.83281026645343 0.37822388067613 26.982 18 Al 0.05184163246600 0.66718973354657 0.87822388067613 26.982 19 Al 0.41359634362992 0.32780718133224 0.10897535927426 26.982 20 Al 0.58640365637008 0.82780718133224 0.39102464072574 26.982 21 Al 0.41359634362992 0.17219281866776 0.60897535927426 26.982 22 Al 0.58640365637008 0.67219281866776 0.89102464072574 26.982 23 Al 0.94815836753400 0.33281026645343 0.12177611932387 26.982 24 Al 0.94815836753400 0.16718973354657 0.62177611932387 26.982 25 O 0.06944554846186 0.00260149240722 0.36136473864333 15.999 26 O 0.02394866426222 0.74943218372973 0.23167715639292 15.999 27 O 0.16528021649125 0.00051823956811 0.10961678666881 15.999 28 O 0.17905260300394 0.27459656507181 0.11365735482042 15.999 29 O 0.31073246101196 0.50680140593624 0.39364631308810 15.999 30 O 0.06944554846186 0.49739850759278 0.86136473864333 15.999 31 O 0.02394866426222 0.75056781627027 0.73167715639291 15.999 32 O 0.38326241309912 0.23984493063615 0.45611257704481 15.999 33 O 0.18682458208644 0.73533755055321 0.02517578808918 15.999 34 O 0.46273787627905 0.73779618972807 0.25371689794418 15.999 35 O 0.16528021649125 0.49948176043189 0.60961678666881 15.999 36 O 0.17905260300394 0.22540343492819 0.61365735482042 15.999 37 O 0.52612529261822 0.98801490020021 0.33364579995028 15.999 38 O 0.31073246101196 0.99319859406376 0.89364631308810 15.999 39 O 0.47387470738178 0.48801490020021 0.16635420004972 15.999 40 O 0.38326241309912 0.26015506936385 0.95611257704481 15.999 41 O 0.53726212372095 0.23779618972807 0.24628310205582 15.999 42 O 0.18682458208644 0.76466244944679 0.52517578808918 15.999 43 O 0.81317541791356 0.23533755055321 0.47482421191082 15.999 44 O 0.46273787627905 0.76220381027193 0.75371689794418 15.999 45 O 0.61673758690088 0.73984493063615 0.04388742295519 15.999 46 O 0.52612529261822 0.51198509979979 0.83364579995028 15.999 47 O 0.68926753898804 0.00680140593624 0.10635368691190 15.999 48 O 0.47387470738178 0.01198509979978 0.66635420004972 15.999 49 O 0.82094739699606 0.77459656507181 0.38634264517958 15.999 50 O 0.83471978350875 0.50051823956811 0.39038321333119 15.999 51 O 0.53726212372095 0.26220381027193 0.74628310205582 15.999 52 O 0.81317541791356 0.26466244944679 0.97482421191082 15.999 53 O 0.61673758690088 0.76015506936385 0.54388742295519 15.999 54 O 0.97605133573778 0.24943218372973 0.26832284360709 15.999 55 O 0.93055445153814 0.50260149240722 0.13863526135667 15.999 56 O 0.68926753898804 0.49319859406376 0.60635368691190 15.999 57 O 0.82094739699606 0.72540343492819 0.88634264517958 15.999 58 O 0.83471978350875 0.99948176043189 0.89038321333119 15.999 59 O 0.97605133573778 0.25056781627028 0.76832284360709 15.999 60 O 0.93055445153814 0.99739850759278 0.63863526135667 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.152245840062379 0.000000000000000 0.000000000000000 b 0.000000000000000 10.128051779999998 0.000000000000000 c -3.316440472284198 0.000000000000000 10.413025267022146 Atomic positions (fractional): 1 Lu 0.04639577724337 0.36783984404419 0.44344491799954 174.967 > 1 2 Lu 0.54639577724336 0.36783984404419 0.44344491799954 174.967 > 1 3 Lu 0.04639577724337 0.13216015595581 0.94344491799954 174.967 > 3 4 Lu 0.54639577724336 0.13216015595581 0.94344491799954 174.967 > 3 5 Lu 0.11286985312690 0.60097430161082 0.19898622428303 174.967 > 5 6 Lu 0.61286985312690 0.60097430161082 0.19898622428303 174.967 > 5 7 Lu 0.13224250482669 0.12045612936191 0.28080736603016 174.967 > 7 8 Lu 0.63224250482668 0.12045612936191 0.28080736603016 174.967 > 7 9 Lu 0.11286985312690 0.89902569838918 0.69898622428303 174.967 > 9 10 Lu 0.61286985312690 0.89902569838918 0.69898622428303 174.967 > 9 11 Lu 0.20744851248228 0.88505022008821 0.08998173345865 174.967 > 11 12 Lu 0.70744851248228 0.88505022008821 0.08998173345865 174.967 > 11 13 Lu 0.13224250482669 0.37954387063809 0.78080736603016 174.967 > 13 14 Lu 0.63224250482668 0.37954387063809 0.78080736603016 174.967 > 13 15 Lu 0.29255148751772 0.38505022008821 0.41001826654135 174.967 > 15 16 Lu 0.79255148751772 0.38505022008821 0.41001826654135 174.967 > 15 17 Lu 0.20744851248228 0.61494977991179 0.58998173345865 174.967 > 17 18 Lu 0.70744851248228 0.61494977991179 0.58998173345865 174.967 > 17 19 Lu 0.36775749517332 0.62045612936191 0.21919263396983 174.967 > 19 20 Lu 0.86775749517332 0.62045612936191 0.21919263396983 174.967 > 19 21 Lu 0.29255148751772 0.11494977991178 0.91001826654135 174.967 > 21 22 Lu 0.79255148751772 0.11494977991178 0.91001826654135 174.967 > 21 23 Lu 0.38713014687310 0.10097430161082 0.30101377571697 174.967 > 23 24 Lu 0.88713014687310 0.10097430161082 0.30101377571697 174.967 > 23 25 Lu 0.36775749517332 0.87954387063809 0.71919263396984 174.967 > 25 26 Lu 0.86775749517332 0.87954387063809 0.71919263396984 174.967 > 25 27 Lu 0.38713014687310 0.39902569838918 0.80101377571697 174.967 > 27 28 Lu 0.88713014687310 0.39902569838918 0.80101377571697 174.967 > 27 29 Lu 0.45360422275663 0.86783984404419 0.05655508200045 174.967 > 29 30 Lu 0.95360422275664 0.86783984404419 0.05655508200045 174.967 > 29 31 Lu 0.45360422275663 0.63216015595581 0.55655508200046 174.967 > 31 32 Lu 0.95360422275664 0.63216015595581 0.55655508200046 174.967 > 31 33 Al 0.02592081623300 0.83281026645343 0.37822388067613 26.982 > 33 34 Al 0.52592081623300 0.83281026645343 0.37822388067613 26.982 > 33 35 Al 0.02592081623300 0.66718973354657 0.87822388067613 26.982 > 35 36 Al 0.52592081623300 0.66718973354657 0.87822388067613 26.982 > 35 37 Al 0.20679817181496 0.32780718133224 0.10897535927426 26.982 > 37 38 Al 0.70679817181496 0.32780718133224 0.10897535927426 26.982 > 37 39 Al 0.29320182818504 0.82780718133224 0.39102464072574 26.982 > 39 40 Al 0.79320182818504 0.82780718133224 0.39102464072574 26.982 > 39 41 Al 0.20679817181496 0.17219281866776 0.60897535927426 26.982 > 41 42 Al 0.70679817181496 0.17219281866776 0.60897535927426 26.982 > 41 43 Al 0.29320182818504 0.67219281866776 0.89102464072574 26.982 > 43 44 Al 0.79320182818504 0.67219281866776 0.89102464072574 26.982 > 43 45 Al 0.47407918376700 0.33281026645343 0.12177611932387 26.982 > 45 46 Al 0.97407918376700 0.33281026645343 0.12177611932387 26.982 > 45 47 Al 0.47407918376700 0.16718973354657 0.62177611932387 26.982 > 47 48 Al 0.97407918376700 0.16718973354657 0.62177611932387 26.982 > 47 49 O 0.03472277423093 0.00260149240722 0.36136473864333 15.999 > 49 50 O 0.53472277423093 0.00260149240722 0.36136473864333 15.999 > 49 51 O 0.01197433213111 0.74943218372973 0.23167715639292 15.999 > 51 52 O 0.51197433213111 0.74943218372973 0.23167715639292 15.999 > 51 53 O 0.08264010824562 0.00051823956811 0.10961678666881 15.999 > 53 54 O 0.58264010824562 0.00051823956811 0.10961678666881 15.999 > 53 55 O 0.08952630150197 0.27459656507181 0.11365735482042 15.999 > 55 56 O 0.58952630150197 0.27459656507181 0.11365735482042 15.999 > 55 57 O 0.15536623050598 0.50680140593624 0.39364631308810 15.999 > 57 58 O 0.65536623050598 0.50680140593624 0.39364631308810 15.999 > 57 59 O 0.03472277423093 0.49739850759278 0.86136473864333 15.999 > 59 60 O 0.53472277423093 0.49739850759278 0.86136473864333 15.999 > 59 61 O 0.01197433213111 0.75056781627027 0.73167715639291 15.999 > 61 62 O 0.51197433213111 0.75056781627027 0.73167715639291 15.999 > 61 63 O 0.19163120654956 0.23984493063615 0.45611257704481 15.999 > 63 64 O 0.69163120654956 0.23984493063615 0.45611257704481 15.999 > 63 65 O 0.09341229104322 0.73533755055321 0.02517578808918 15.999 > 65 66 O 0.59341229104322 0.73533755055321 0.02517578808918 15.999 > 65 67 O 0.23136893813953 0.73779618972807 0.25371689794418 15.999 > 67 68 O 0.73136893813953 0.73779618972807 0.25371689794418 15.999 > 67 69 O 0.08264010824562 0.49948176043189 0.60961678666881 15.999 > 69 70 O 0.58264010824562 0.49948176043189 0.60961678666881 15.999 > 69 71 O 0.08952630150197 0.22540343492819 0.61365735482042 15.999 > 71 72 O 0.58952630150197 0.22540343492819 0.61365735482042 15.999 > 71 73 O 0.26306264630911 0.98801490020021 0.33364579995028 15.999 > 73 74 O 0.76306264630911 0.98801490020021 0.33364579995028 15.999 > 73 75 O 0.15536623050598 0.99319859406376 0.89364631308810 15.999 > 75 76 O 0.65536623050598 0.99319859406376 0.89364631308810 15.999 > 75 77 O 0.23693735369089 0.48801490020021 0.16635420004972 15.999 > 77 78 O 0.73693735369089 0.48801490020021 0.16635420004972 15.999 > 77 79 O 0.19163120654956 0.26015506936385 0.95611257704481 15.999 > 79 80 O 0.69163120654956 0.26015506936385 0.95611257704481 15.999 > 79 81 O 0.26863106186047 0.23779618972807 0.24628310205582 15.999 > 81 82 O 0.76863106186047 0.23779618972807 0.24628310205582 15.999 > 81 83 O 0.09341229104322 0.76466244944679 0.52517578808918 15.999 > 83 84 O 0.59341229104322 0.76466244944679 0.52517578808918 15.999 > 83 85 O 0.40658770895678 0.23533755055321 0.47482421191082 15.999 > 85 86 O 0.90658770895678 0.23533755055321 0.47482421191082 15.999 > 85 87 O 0.23136893813953 0.76220381027193 0.75371689794418 15.999 > 87 88 O 0.73136893813953 0.76220381027193 0.75371689794418 15.999 > 87 89 O 0.30836879345044 0.73984493063615 0.04388742295519 15.999 > 89 90 O 0.80836879345044 0.73984493063615 0.04388742295519 15.999 > 89 91 O 0.26306264630911 0.51198509979979 0.83364579995028 15.999 > 91 92 O 0.76306264630911 0.51198509979979 0.83364579995028 15.999 > 91 93 O 0.34463376949402 0.00680140593624 0.10635368691190 15.999 > 93 94 O 0.84463376949402 0.00680140593624 0.10635368691190 15.999 > 93 95 O 0.23693735369089 0.01198509979978 0.66635420004972 15.999 > 95 96 O 0.73693735369089 0.01198509979978 0.66635420004972 15.999 > 95 97 O 0.41047369849803 0.77459656507181 0.38634264517958 15.999 > 97 98 O 0.91047369849803 0.77459656507181 0.38634264517958 15.999 > 97 99 O 0.41735989175438 0.50051823956811 0.39038321333119 15.999 > 99 100 O 0.91735989175438 0.50051823956811 0.39038321333119 15.999 > 99 101 O 0.26863106186047 0.26220381027193 0.74628310205582 15.999 > 101 102 O 0.76863106186047 0.26220381027193 0.74628310205582 15.999 > 101 103 O 0.40658770895678 0.26466244944679 0.97482421191082 15.999 > 103 104 O 0.90658770895678 0.26466244944679 0.97482421191082 15.999 > 103 105 O 0.30836879345044 0.76015506936385 0.54388742295519 15.999 > 105 106 O 0.80836879345044 0.76015506936385 0.54388742295519 15.999 > 105 107 O 0.48802566786889 0.24943218372973 0.26832284360709 15.999 > 107 108 O 0.98802566786889 0.24943218372973 0.26832284360709 15.999 > 107 109 O 0.46527722576907 0.50260149240722 0.13863526135667 15.999 > 109 110 O 0.96527722576907 0.50260149240722 0.13863526135667 15.999 > 109 111 O 0.34463376949402 0.49319859406376 0.60635368691190 15.999 > 111 112 O 0.84463376949402 0.49319859406376 0.60635368691190 15.999 > 111 113 O 0.41047369849803 0.72540343492819 0.88634264517958 15.999 > 113 114 O 0.91047369849803 0.72540343492819 0.88634264517958 15.999 > 113 115 O 0.41735989175438 0.99948176043189 0.89038321333119 15.999 > 115 116 O 0.91735989175438 0.99948176043189 0.89038321333119 15.999 > 115 117 O 0.48802566786889 0.25056781627028 0.76832284360709 15.999 > 117 118 O 0.98802566786889 0.25056781627028 0.76832284360709 15.999 > 117 119 O 0.46527722576907 0.99739850759278 0.63863526135667 15.999 > 119 120 O 0.96527722576907 0.99739850759278 0.63863526135667 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7456144 0.0000000 0.0211100 0.0000000 3.7317431 0.0000000 0.0211292 0.0000000 3.6495520 -------------------------- Born effective charges -------------------------- 1 Lu 3.6874698 0.0111750 0.1171438 -0.0339775 3.7257691 0.2183393 0.0316692 0.1821177 3.4761178 2 Lu 3.6874698 -0.0111750 0.1171438 0.0339775 3.7257691 -0.2183393 0.0316692 -0.1821177 3.4761178 3 Lu 4.1358678 0.0498892 0.0913809 0.0263639 3.7239517 -0.4215912 0.1239201 -0.5086111 3.2928005 4 Lu 3.8294942 0.0593211 -0.0439369 0.0235015 3.6224851 0.3012083 -0.0338413 0.3845734 3.5444799 5 Lu 4.1358678 -0.0498892 0.0913809 -0.0263639 3.7239517 0.4215912 0.1239201 0.5086111 3.2928005 6 Lu 3.9363680 0.0626579 0.0037445 0.0084136 3.7038230 -0.3145489 0.0774955 -0.3459238 3.2396237 7 Lu 3.8294942 -0.0593211 -0.0439369 -0.0235015 3.6224851 -0.3012083 -0.0338413 -0.3845734 3.5444799 8 Lu 3.9363680 -0.0626579 0.0037445 -0.0084136 3.7038230 0.3145489 0.0774955 0.3459238 3.2396237 9 Lu 3.9363680 -0.0626579 0.0037445 -0.0084136 3.7038230 0.3145489 0.0774955 0.3459238 3.2396237 10 Lu 3.8294942 -0.0593211 -0.0439369 -0.0235015 3.6224851 -0.3012083 -0.0338413 -0.3845734 3.5444799 11 Lu 3.9363680 0.0626579 0.0037445 0.0084136 3.7038230 -0.3145489 0.0774955 -0.3459238 3.2396237 12 Lu 4.1358678 -0.0498892 0.0913809 -0.0263639 3.7239517 0.4215912 0.1239201 0.5086111 3.2928005 13 Lu 3.8294942 0.0593211 -0.0439369 0.0235015 3.6224851 0.3012083 -0.0338413 0.3845734 3.5444799 14 Lu 4.1358678 0.0498892 0.0913809 0.0263639 3.7239517 -0.4215912 0.1239201 -0.5086111 3.2928005 15 Lu 3.6874698 -0.0111750 0.1171438 0.0339775 3.7257691 -0.2183393 0.0316692 -0.1821177 3.4761178 16 Lu 3.6874698 0.0111750 0.1171438 -0.0339775 3.7257691 0.2183393 0.0316692 0.1821177 3.4761178 17 Al 2.2438163 0.1451911 -0.0173480 0.2017434 2.7096472 -0.1743741 -0.0261481 -0.1663599 2.8023337 18 Al 2.2438163 -0.1451911 -0.0173480 -0.2017434 2.7096472 0.1743741 -0.0261481 0.1663599 2.8023337 19 Al 2.3018080 0.1220811 0.1124618 0.1788836 2.6050316 0.2204559 0.0623547 0.3054375 2.9061066 20 Al 2.3018080 -0.1220811 0.1124618 -0.1788836 2.6050316 -0.2204559 0.0623547 -0.3054375 2.9061066 21 Al 2.3018080 -0.1220811 0.1124618 -0.1788836 2.6050316 -0.2204559 0.0623547 -0.3054375 2.9061066 22 Al 2.3018080 0.1220811 0.1124618 0.1788836 2.6050316 0.2204559 0.0623547 0.3054375 2.9061066 23 Al 2.2438163 -0.1451911 -0.0173480 -0.2017434 2.7096472 0.1743741 -0.0261481 0.1663599 2.8023337 24 Al 2.2438163 0.1451911 -0.0173480 0.2017434 2.7096472 -0.1743741 -0.0261481 -0.1663599 2.8023337 25 O -2.3552986 -0.1558866 0.0872720 -0.1225830 -2.3985875 0.3225678 0.0974385 0.2611403 -1.6866664 26 O -2.1606678 0.2798176 0.1271020 0.1825651 -2.2311860 0.1863727 0.0476196 0.1487085 -2.2287993 27 O -2.3869924 -0.0445306 -0.1750603 -0.0271275 -2.4247711 -0.1950114 -0.1255653 -0.1786492 -2.4581796 28 O -2.1580702 0.0047983 -0.0138318 0.0189917 -1.9019145 -0.1167557 0.0010491 -0.1644408 -2.0131140 29 O -2.3341710 -0.0466336 0.1339021 -0.0234061 -2.1633534 0.1705585 0.0705991 0.1195027 -2.5682305 30 O -2.3552986 0.1558866 0.0872720 0.1225830 -2.3985875 -0.3225678 0.0974385 -0.2611403 -1.6866664 31 O -2.1606678 -0.2798176 0.1271020 -0.1825651 -2.2311860 -0.1863727 0.0476196 -0.1487085 -2.2287993 32 O -2.1498183 -0.2434031 0.1545717 -0.1520613 -2.0960647 -0.1436361 0.0655990 -0.0950688 -2.3526499 33 O -2.0676970 -0.3072684 -0.2268096 -0.2239659 -2.1925639 -0.0392694 -0.1349605 -0.0186670 -2.2288633 34 O -2.2305433 -0.3306422 -0.2088984 -0.2281800 -2.2869851 0.0501437 -0.1311801 0.0888660 -2.0241269 35 O -2.3869924 0.0445306 -0.1750603 0.0271275 -2.4247711 0.1950114 -0.1255653 0.1786492 -2.4581796 36 O -2.1580702 -0.0047983 -0.0138318 -0.0189917 -1.9019145 0.1167557 0.0010491 0.1644408 -2.0131140 37 O -2.2915653 0.1246153 -0.1416939 0.1038254 -2.3952816 0.2678606 -0.1260493 0.2039881 -1.7008324 38 O -2.3341710 0.0466336 0.1339021 0.0234061 -2.1633534 -0.1705585 0.0705991 -0.1195027 -2.5682305 39 O -2.2915653 -0.1246153 -0.1416939 -0.1038254 -2.3952816 -0.2678606 -0.1260493 -0.2039881 -1.7008324 40 O -2.1498183 0.2434031 0.1545717 0.1520613 -2.0960647 0.1436361 0.0655990 0.0950688 -2.3526499 41 O -2.2305433 0.3306422 -0.2088984 0.2281800 -2.2869851 -0.0501437 -0.1311801 -0.0888660 -2.0241269 42 O -2.0676970 0.3072684 -0.2268096 0.2239659 -2.1925639 0.0392694 -0.1349605 0.0186670 -2.2288633 43 O -2.0676970 0.3072684 -0.2268096 0.2239659 -2.1925639 0.0392694 -0.1349605 0.0186670 -2.2288633 44 O -2.2305433 0.3306422 -0.2088984 0.2281800 -2.2869851 -0.0501437 -0.1311801 -0.0888660 -2.0241269 45 O -2.1498183 0.2434031 0.1545717 0.1520613 -2.0960647 0.1436361 0.0655990 0.0950688 -2.3526499 46 O -2.2915653 -0.1246153 -0.1416939 -0.1038254 -2.3952816 -0.2678606 -0.1260493 -0.2039881 -1.7008324 47 O -2.3341710 0.0466336 0.1339021 0.0234061 -2.1633534 -0.1705585 0.0705991 -0.1195027 -2.5682305 48 O -2.2915653 0.1246153 -0.1416939 0.1038254 -2.3952816 0.2678606 -0.1260493 0.2039881 -1.7008324 49 O -2.1580702 -0.0047983 -0.0138318 -0.0189917 -1.9019145 0.1167557 0.0010491 0.1644408 -2.0131140 50 O -2.3869924 0.0445306 -0.1750603 0.0271275 -2.4247711 0.1950114 -0.1255653 0.1786492 -2.4581796 51 O -2.2305433 -0.3306422 -0.2088984 -0.2281800 -2.2869851 0.0501437 -0.1311801 0.0888660 -2.0241269 52 O -2.0676970 -0.3072684 -0.2268096 -0.2239659 -2.1925639 -0.0392694 -0.1349605 -0.0186670 -2.2288633 53 O -2.1498183 -0.2434031 0.1545717 -0.1520613 -2.0960647 -0.1436361 0.0655990 -0.0950688 -2.3526499 54 O -2.1606678 -0.2798176 0.1271020 -0.1825651 -2.2311860 -0.1863727 0.0476196 -0.1487085 -2.2287993 55 O -2.3552986 0.1558866 0.0872720 0.1225830 -2.3985875 -0.3225678 0.0974385 -0.2611403 -1.6866664 56 O -2.3341710 -0.0466336 0.1339021 -0.0234061 -2.1633534 0.1705585 0.0705991 0.1195027 -2.5682305 57 O -2.1580702 0.0047983 -0.0138318 0.0189917 -1.9019145 -0.1167557 0.0010491 -0.1644408 -2.0131140 58 O -2.3869924 -0.0445306 -0.1750603 -0.0271275 -2.4247711 -0.1950114 -0.1255653 -0.1786492 -2.4581796 59 O -2.1606678 0.2798176 0.1271020 0.1825651 -2.2311860 0.1863727 0.0476196 0.1487085 -2.2287993 60 O -2.3552986 -0.1558866 0.0872720 -0.1225830 -2.3985875 0.3225678 0.0974385 0.2611403 -1.6866664 ---------------------------------------------------------------------------- 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 ... [ 7 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.863 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.166 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.204 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.215 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.582 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.772 ( 0.000 0.000 0.000) 0.000 8.862 ( 0.000 0.000 0.000) 0.000 8.868 ( 0.000 0.000 0.000) 0.000 9.127 ( 0.000 0.000 0.000) 0.000 9.176 ( 0.000 0.000 0.000) 0.000 9.354 ( 0.000 0.000 0.000) 0.000 9.379 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 9.736 ( 0.000 0.000 0.000) 0.000 9.787 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 9.899 ( 0.000 0.000 0.000) 0.000 10.020 ( 0.000 0.000 0.000) 0.000 10.167 ( 0.000 0.000 0.000) 0.000 10.232 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.453 ( 0.000 0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.472 ( 0.000 0.000 0.000) 0.000 10.632 ( 0.000 0.000 0.000) 0.000 10.709 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 0.000) 0.000 11.170 ( 0.000 0.000 0.000) 0.000 11.177 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.349 ( 0.000 0.000 0.000) 0.000 11.485 ( 0.000 0.000 0.000) 0.000 11.493 ( 0.000 0.000 0.000) 0.000 11.524 ( 0.000 0.000 0.000) 0.000 11.537 ( 0.000 0.000 0.000) 0.000 11.588 ( 0.000 0.000 0.000) 0.000 11.702 ( 0.000 0.000 0.000) 0.000 11.863 ( 0.000 0.000 0.000) 0.000 11.990 ( 0.000 0.000 0.000) 0.000 12.028 ( 0.000 0.000 0.000) 0.000 12.247 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.357 ( 0.000 0.000 0.000) 0.000 12.358 ( 0.000 0.000 0.000) 0.000 12.595 ( 0.000 0.000 0.000) 0.000 12.732 ( 0.000 0.000 0.000) 0.000 12.789 ( 0.000 0.000 0.000) 0.000 12.822 ( 0.000 0.000 0.000) 0.000 12.920 ( 0.000 0.000 0.000) 0.000 12.939 ( 0.000 0.000 0.000) 0.000 13.188 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.418 ( 0.000 0.000 0.000) 0.000 13.439 ( 0.000 0.000 0.000) 0.000 13.532 ( 0.000 0.000 0.000) 0.000 13.644 ( 0.000 0.000 0.000) 0.000 13.888 ( 0.000 0.000 0.000) 0.000 14.082 ( 0.000 0.000 0.000) 0.000 14.116 ( 0.000 0.000 0.000) 0.000 14.588 ( 0.000 0.000 0.000) 0.000 14.619 ( 0.000 0.000 0.000) 0.000 14.850 ( 0.000 0.000 0.000) 0.000 14.907 ( 0.000 0.000 0.000) 0.000 14.930 ( 0.000 0.000 0.000) 0.000 15.126 ( 0.000 0.000 0.000) 0.000 15.299 ( 0.000 0.000 0.000) 0.000 15.408 ( 0.000 0.000 0.000) 0.000 15.735 ( 0.000 0.000 0.000) 0.000 15.802 ( 0.000 0.000 0.000) 0.000 15.907 ( 0.000 0.000 0.000) 0.000 16.089 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 16.623 ( 0.000 0.000 0.000) 0.000 16.845 ( 0.000 0.000 0.000) 0.000 17.293 ( 0.000 0.000 0.000) 0.000 17.401 ( 0.000 0.000 0.000) 0.000 17.504 ( 0.000 0.000 0.000) 0.000 17.535 ( 0.000 0.000 0.000) 0.000 17.629 ( 0.000 0.000 0.000) 0.000 20.970 ( 0.000 0.000 0.000) 0.000 21.146 ( 0.000 0.000 0.000) 0.000 21.279 ( 0.000 0.000 0.000) 0.000 21.311 ( 0.000 0.000 0.000) 0.000 22.055 ( 0.000 0.000 0.000) 0.000 22.067 ( 0.000 0.000 0.000) 0.000 22.286 ( 0.000 0.000 0.000) 0.000 22.811 ( 0.000 0.000 0.000) 0.000 22.820 ( 0.000 0.000 0.000) 0.000 23.026 ( 0.000 0.000 0.000) 0.000 23.169 ( 0.000 0.000 0.000) 0.000 23.277 ( 0.000 0.000 0.000) 0.000 23.417 ( 0.000 0.000 0.000) 0.000 23.510 ( 0.000 0.000 0.000) 0.000 23.767 ( 0.000 0.000 0.000) 0.000 24.162 ( 0.000 0.000 0.000) 0.000 24.383 ( 0.000 0.000 0.000) 0.000 24.619 ( 0.000 0.000 0.000) 0.000 24.863 ( 0.000 0.000 0.000) 0.000 24.938 ( 0.000 0.000 0.000) 0.000 25.158 ( 0.000 0.000 0.000) 0.000 25.727 ( 0.000 0.000 0.000) 0.000 25.782 ( 0.000 0.000 0.000) 0.000 26.546 ( 0.000 0.000 0.000) 0.000 27.087 ( 0.000 0.000 0.000) 0.000 27.096 ( 0.000 0.000 0.000) 0.000 27.116 ( 0.000 0.000 0.000) 0.000 27.155 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 28.816 0.000 5.822) 29.399 0.685 ( 30.295 0.000 10.516) 32.068 1.186 ( 49.692 0.000 19.646) 53.435 1.853 ( -0.712 0.000 -1.908) 2.036 1.997 ( 2.017 0.000 -0.050) 2.018 2.024 ( -7.910 0.000 0.574) 7.931 2.095 ( 2.804 0.000 -0.598) 2.867 2.111 ( 4.562 0.000 0.783) 4.628 2.179 ( -4.022 0.000 7.442) 8.459 2.313 ( 0.354 0.000 -3.709) 3.726 2.416 ( 7.098 0.000 -6.262) 9.465 2.499 ( 1.139 0.000 0.703) 1.339 2.581 ( 1.478 0.000 -2.123) 2.587 2.623 ( 3.950 0.000 -2.012) 4.433 2.650 ( 2.035 0.000 -6.627) 6.932 2.721 ( 7.099 0.000 0.972) 7.166 2.804 ( 5.102 0.000 1.121) 5.223 2.922 ( -1.138 0.000 -1.717) 2.060 2.945 ( 2.429 0.000 11.549) 11.801 3.046 ( 1.534 0.000 1.704) 2.293 3.094 ( 3.528 0.000 -1.712) 3.922 3.115 ( 2.479 0.000 -0.098) 2.481 3.192 ( 3.862 0.000 3.153) 4.985 3.253 ( 2.688 0.000 -0.152) 2.692 3.293 ( 1.744 0.000 5.668) 5.930 3.308 ( -3.562 0.000 -3.727) 5.155 3.441 ( -7.618 0.000 -3.028) 8.197 3.577 ( -3.738 0.000 -2.089) 4.282 3.630 ( -4.230 0.000 0.673) 4.283 3.646 ( 0.598 0.000 2.731) 2.795 3.761 ( -3.108 0.000 -3.611) 4.764 3.787 ( 5.857 0.000 3.601) 6.876 3.823 ( 3.246 0.000 -7.374) 8.057 4.078 ( -0.627 0.000 -7.242) 7.269 4.115 ( 4.337 0.000 -0.749) 4.401 4.256 ( -6.353 0.000 1.165) 6.459 4.320 ( 0.662 0.000 1.075) 1.262 4.506 ( 2.945 0.000 0.853) 3.066 4.569 ( -1.503 0.000 3.445) 3.759 4.627 ( -6.458 0.000 -2.347) 6.872 4.719 ( -7.142 0.000 0.518) 7.161 4.816 ( -5.864 0.000 -0.866) 5.928 4.914 ( -1.432 0.000 0.542) 1.531 5.078 ( -7.112 0.000 1.465) 7.262 5.142 ( -0.347 0.000 -6.686) 6.695 5.204 ( 1.516 0.000 -1.304) 2.000 5.227 ( -0.181 0.000 -1.543) 1.553 5.263 ( 5.629 0.000 2.474) 6.149 5.412 ( -2.966 0.000 -1.591) 3.366 5.524 ( -1.831 0.000 -2.359) 2.986 5.525 ( -3.000 0.000 5.879) 6.600 5.617 ( 1.525 0.000 -1.699) 2.283 6.003 ( -3.809 0.000 0.792) 3.891 6.024 ( -4.568 0.000 1.137) 4.707 6.194 ( 0.911 0.000 2.890) 3.030 6.229 ( 12.373 0.000 -17.559) 21.480 6.298 ( 1.462 0.000 3.199) 3.518 6.434 ( -9.418 0.000 27.127) 28.716 6.632 ( -1.292 0.000 0.780) 1.509 6.659 ( 1.636 0.000 -3.962) 4.287 7.016 ( -4.664 0.000 -13.348) 14.140 7.076 ( 0.504 0.000 -1.079) 1.191 7.089 ( -7.725 0.000 -3.247) 8.379 7.293 ( -12.095 0.000 1.886) 12.241 7.448 ( -0.281 0.000 1.138) 1.172 7.520 ( -11.883 0.000 -1.868) 12.029 7.670 ( 6.719 0.000 1.302) 6.844 7.734 ( 2.227 0.000 3.494) 4.144 7.903 ( -8.214 0.000 -0.446) 8.226 8.065 ( 8.010 0.000 -0.236) 8.013 8.097 ( 5.150 0.000 12.506) 13.524 8.133 ( -3.207 0.000 4.897) 5.854 8.255 ( 1.077 0.000 -0.790) 1.336 8.371 ( 8.719 0.000 -8.540) 12.205 8.568 ( -2.353 0.000 3.841) 4.504 8.582 ( -2.055 0.000 -3.001) 3.637 8.784 ( -3.670 0.000 -0.911) 3.781 8.854 ( -1.420 0.000 -1.842) 2.326 8.951 ( 11.275 0.000 -9.600) 14.808 9.020 ( -2.566 0.000 -3.856) 4.632 9.233 ( 2.959 0.000 -5.641) 6.370 9.358 ( 0.235 0.000 -3.104) 3.113 9.472 ( 0.295 0.000 8.598) 8.603 9.592 ( -4.285 0.000 -6.168) 7.510 9.694 ( -4.659 0.000 10.940) 11.891 9.844 ( 2.989 0.000 5.659) 6.399 9.862 ( -4.293 0.000 6.230) 7.566 10.010 ( -5.186 0.000 5.197) 7.342 10.187 ( 0.009 0.000 5.037) 5.037 10.233 ( 1.441 0.000 -0.503) 1.526 10.279 ( -2.163 0.000 1.004) 2.384 10.425 ( 1.816 0.000 -2.198) 2.851 10.440 ( -0.928 0.000 -10.143) 10.185 10.512 ( 1.693 0.000 5.876) 6.115 10.662 ( 9.579 0.000 1.474) 9.692 10.813 ( 4.953 0.000 2.144) 5.397 10.884 ( 13.436 0.000 -10.878) 17.288 10.909 ( -7.522 0.000 -3.633) 8.353 11.120 ( 0.996 0.000 2.633) 2.815 11.129 ( -7.580 0.000 -0.272) 7.584 11.235 ( -6.563 0.000 -1.276) 6.686 11.263 ( -5.319 0.000 3.196) 6.206 11.303 ( -2.042 0.000 -5.757) 6.109 11.421 ( 0.582 0.000 -0.972) 1.133 11.489 ( -0.688 0.000 -0.835) 1.082 11.538 ( 6.073 0.000 -9.003) 10.860 11.671 ( -3.562 0.000 -0.269) 3.572 11.767 ( 10.503 0.000 -0.296) 10.507 11.930 ( 3.487 0.000 1.659) 3.861 12.013 ( 0.739 0.000 0.244) 0.778 12.158 ( -3.490 0.000 -3.937) 5.262 12.209 ( 0.148 0.000 -0.839) 0.852 12.288 ( 20.000 0.000 1.025) 20.026 12.331 ( 4.443 0.000 3.268) 5.516 12.414 ( 5.966 0.000 -1.298) 6.106 12.496 ( 3.330 0.000 0.940) 3.460 12.587 ( 1.920 0.000 -4.492) 4.885 12.658 ( -6.789 0.000 8.629) 10.979 12.710 ( -0.076 0.000 -3.590) 3.590 12.859 ( 4.795 0.000 -2.754) 5.529 13.003 ( 6.728 0.000 3.364) 7.522 13.078 ( 6.979 0.000 1.397) 7.117 13.184 ( 3.197 0.000 -6.100) 6.887 13.319 ( -2.359 0.000 -11.222) 11.467 13.421 ( 0.429 0.000 -0.019) 0.429 13.474 ( -3.583 0.000 -1.769) 3.996 13.556 ( 6.628 0.000 8.314) 10.633 13.656 ( 3.904 0.000 -1.675) 4.248 13.963 ( 8.950 0.000 -11.789) 14.801 14.138 ( 1.728 0.000 6.775) 6.992 14.140 ( 1.452 0.000 10.260) 10.363 14.564 ( -2.303 0.000 -1.765) 2.902 14.624 ( -0.652 0.000 2.325) 2.414 14.726 ( -4.548 0.000 -11.422) 12.294 14.875 ( -1.487 0.000 -4.013) 4.280 14.945 ( 2.373 0.000 -0.469) 2.419 15.166 ( 1.028 0.000 3.118) 3.284 15.344 ( 4.307 0.000 -2.058) 4.773 15.348 ( 10.935 0.000 -16.687) 19.951 15.532 ( 4.632 0.000 -14.719) 15.431 15.686 ( -3.943 0.000 -1.967) 4.407 15.713 ( -8.977 0.000 2.166) 9.235 15.973 ( -2.053 0.000 -18.135) 18.251 16.170 ( -1.394 0.000 0.180) 1.406 16.437 ( -18.090 0.000 41.786) 45.534 16.640 ( 0.957 0.000 2.177) 2.378 16.851 ( 0.334 0.000 0.592) 0.680 17.230 ( -6.751 0.000 2.592) 7.231 17.369 ( -5.206 0.000 5.969) 7.920 17.409 ( -9.138 0.000 -0.607) 9.158 17.502 ( -2.223 0.000 -2.713) 3.507 17.552 ( -6.795 0.000 -0.042) 6.795 21.170 ( 2.257 0.000 0.151) 2.262 21.300 ( 2.449 0.000 -1.236) 2.743 21.340 ( 2.454 0.000 0.688) 2.549 21.535 ( 18.048 0.000 -52.330) 55.355 22.039 ( -0.051 0.000 -2.178) 2.178 22.100 ( 1.380 0.000 2.621) 2.962 22.296 ( 0.845 0.000 0.468) 0.966 22.775 ( -2.183 0.000 -4.289) 4.812 22.831 ( 0.980 0.000 0.280) 1.020 23.051 ( 1.296 0.000 3.208) 3.460 23.154 ( -1.007 0.000 -1.382) 1.710 23.248 ( -1.718 0.000 -2.087) 2.703 23.478 ( 5.060 0.000 1.362) 5.240 23.662 ( 6.838 0.000 -1.442) 6.988 24.203 ( 2.472 0.000 4.401) 5.048 24.296 ( -15.054 0.000 48.922) 51.186 24.422 ( 2.935 0.000 1.827) 3.457 24.606 ( -1.762 0.000 1.467) 2.293 24.847 ( -8.215 0.000 -1.413) 8.336 24.958 ( -6.801 0.000 17.734) 18.993 25.129 ( -0.325 0.000 -7.737) 7.744 25.654 ( -5.787 0.000 -1.263) 5.924 25.739 ( -10.887 0.000 13.873) 17.634 26.464 ( -7.702 0.000 -1.703) 7.888 27.138 ( 2.684 0.000 -0.276) 2.698 27.140 ( 3.843 0.000 0.665) 3.900 27.209 ( 4.282 0.000 0.083) 4.283 27.481 ( 2.643 0.000 -6.349) 6.877 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 25.614 0.000 5.064) 26.110 1.348 ( 28.500 0.000 9.515) 30.046 1.805 ( -0.295 0.000 -5.421) 5.430 1.944 ( -0.640 0.000 -1.259) 1.412 2.023 ( 3.106 0.000 1.960) 3.673 2.060 ( 6.988 0.000 1.939) 7.252 2.162 ( 2.062 0.000 5.742) 6.101 2.171 ( 3.922 0.000 3.322) 5.140 2.292 ( 14.188 0.000 3.887) 14.711 2.353 ( 14.225 0.000 -2.049) 14.372 2.439 ( 1.066 0.000 -6.918) 6.999 2.541 ( 0.548 0.000 -1.783) 1.865 2.579 ( 0.020 0.000 -2.229) 2.229 2.646 ( -1.100 0.000 -0.729) 1.320 2.718 ( 7.695 0.000 0.319) 7.701 2.832 ( 1.873 0.000 -1.850) 2.633 2.889 ( 1.755 0.000 1.634) 2.398 2.917 ( 1.847 0.000 -1.052) 2.125 3.027 ( -0.784 0.000 2.082) 2.224 3.082 ( -0.464 0.000 3.024) 3.060 3.107 ( -7.298 0.000 -1.387) 7.429 3.138 ( 0.403 0.000 -4.871) 4.888 3.247 ( 5.605 0.000 0.111) 5.606 3.288 ( 2.588 0.000 -0.410) 2.621 3.347 ( 0.949 0.000 3.626) 3.748 3.371 ( 2.834 0.000 2.686) 3.904 3.391 ( 10.840 0.000 7.805) 13.358 3.443 ( -5.175 0.000 -1.678) 5.440 3.605 ( 0.589 0.000 -1.230) 1.364 3.643 ( -0.911 0.000 -2.013) 2.209 3.695 ( -1.074 0.000 -3.027) 3.212 3.883 ( 7.435 0.000 -6.136) 9.640 3.936 ( 4.092 0.000 -0.117) 4.093 4.034 ( 1.315 0.000 -6.605) 6.734 4.122 ( -3.263 0.000 -1.017) 3.418 4.127 ( -1.993 0.000 2.899) 3.518 4.347 ( -1.014 0.000 -1.718) 1.995 4.439 ( -11.686 0.000 1.271) 11.754 4.479 ( -6.089 0.000 -0.102) 6.090 4.546 ( -7.962 0.000 4.049) 8.932 4.563 ( -3.231 0.000 4.198) 5.297 4.662 ( -6.574 0.000 -2.438) 7.011 4.831 ( -6.962 0.000 -3.396) 7.746 4.923 ( -7.851 0.000 2.962) 8.391 5.134 ( 0.610 0.000 -2.096) 2.183 5.159 ( -5.419 0.000 -5.328) 7.599 5.249 ( 4.883 0.000 -1.773) 5.195 5.336 ( 0.483 0.000 2.694) 2.737 5.464 ( -1.736 0.000 -5.514) 5.780 5.465 ( 5.038 0.000 6.545) 8.259 5.492 ( -1.618 0.000 3.441) 3.802 5.584 ( -4.877 0.000 1.332) 5.056 5.935 ( -2.954 0.000 0.067) 2.955 5.990 ( 3.013 0.000 -2.754) 4.082 6.234 ( 1.919 0.000 2.777) 3.375 6.323 ( -1.904 0.000 4.420) 4.813 6.330 ( -0.325 0.000 2.931) 2.949 6.431 ( 1.380 0.000 1.012) 1.711 6.588 ( -1.984 0.000 -2.064) 2.863 6.649 ( -1.634 0.000 -9.432) 9.572 6.904 ( -1.570 0.000 -3.524) 3.858 6.923 ( -3.260 0.000 -5.753) 6.612 7.003 ( -4.601 0.000 3.800) 5.967 7.105 ( -8.518 0.000 -0.758) 8.551 7.331 ( -3.683 0.000 1.055) 3.831 7.447 ( 0.401 0.000 -1.164) 1.231 7.746 ( -3.072 0.000 -3.935) 4.993 7.808 ( 1.800 0.000 5.501) 5.788 7.835 ( 6.521 0.000 -1.449) 6.680 8.094 ( -2.567 0.000 5.313) 5.901 8.189 ( -3.033 0.000 0.623) 3.096 8.197 ( 4.562 0.000 -1.190) 4.715 8.347 ( 2.431 0.000 13.716) 13.929 8.524 ( 2.774 0.000 -4.687) 5.447 8.528 ( -1.273 0.000 5.872) 6.008 8.586 ( 13.161 0.000 -4.447) 13.892 8.727 ( -1.228 0.000 2.584) 2.861 8.863 ( -3.247 0.000 -7.248) 7.942 8.894 ( 4.355 0.000 -0.924) 4.451 9.077 ( -0.484 0.000 -7.240) 7.256 9.263 ( 6.785 0.000 -8.873) 11.170 9.317 ( -0.907 0.000 -5.379) 5.455 9.483 ( -2.872 0.000 2.792) 4.006 9.512 ( -2.288 0.000 -5.717) 6.157 9.668 ( -5.342 0.000 10.008) 11.344 9.761 ( -8.312 0.000 4.744) 9.570 9.876 ( -8.777 0.000 5.992) 10.627 9.928 ( 0.838 0.000 4.901) 4.972 10.149 ( -6.124 0.000 -4.077) 7.357 10.154 ( -4.105 0.000 1.523) 4.378 10.282 ( -1.029 0.000 6.486) 6.567 10.469 ( 7.612 0.000 -4.511) 8.848 10.527 ( 5.443 0.000 -1.407) 5.622 10.567 ( 3.235 0.000 -2.776) 4.263 10.704 ( -6.303 0.000 -2.841) 6.914 10.824 ( -3.556 0.000 3.086) 4.709 10.869 ( 1.648 0.000 1.102) 1.983 10.933 ( -4.150 0.000 -6.652) 7.840 11.084 ( -1.053 0.000 3.852) 3.994 11.100 ( 3.073 0.000 7.165) 7.796 11.138 ( -3.512 0.000 1.538) 3.834 11.293 ( 4.329 0.000 -1.845) 4.706 11.329 ( 5.233 0.000 6.521) 8.361 11.459 ( 1.461 0.000 -4.718) 4.939 11.530 ( 10.378 0.000 -4.981) 11.511 11.575 ( -4.887 0.000 -2.378) 5.435 11.635 ( 5.973 0.000 -2.923) 6.650 11.918 ( 5.257 0.000 -3.628) 6.387 11.925 ( -3.175 0.000 -2.273) 3.905 12.072 ( 5.052 0.000 0.804) 5.116 12.120 ( -2.781 0.000 -1.037) 2.968 12.218 ( 2.865 0.000 -2.003) 3.496 12.439 ( 4.061 0.000 2.400) 4.718 12.440 ( 0.073 0.000 -2.736) 2.736 12.529 ( 0.775 0.000 1.539) 1.724 12.609 ( 9.214 0.000 -5.573) 10.768 12.628 ( 0.710 0.000 5.961) 6.003 12.661 ( 9.685 0.000 -2.570) 10.020 12.817 ( 4.871 0.000 1.507) 5.098 12.937 ( 1.651 0.000 3.895) 4.231 13.080 ( 1.015 0.000 2.224) 2.445 13.218 ( -0.003 0.000 -3.749) 3.749 13.258 ( 7.474 0.000 -3.149) 8.110 13.300 ( 7.280 0.000 -5.727) 9.262 13.416 ( 0.223 0.000 -1.018) 1.042 13.479 ( 8.859 0.000 0.783) 8.893 13.707 ( 7.484 0.000 0.967) 7.546 13.881 ( 11.948 0.000 9.911) 15.523 13.896 ( -7.507 0.000 -6.161) 9.712 14.236 ( 0.084 0.000 14.360) 14.360 14.297 ( 5.200 0.000 6.165) 8.065 14.469 ( -4.308 0.000 -3.534) 5.572 14.521 ( -2.614 0.000 -10.949) 11.256 14.689 ( 2.079 0.000 0.855) 2.248 14.869 ( 4.217 0.000 -7.993) 9.037 14.989 ( 2.991 0.000 -5.213) 6.010 15.174 ( -3.288 0.000 1.433) 3.587 15.349 ( -5.093 0.000 -2.009) 5.475 15.452 ( 5.254 0.000 -7.909) 9.496 15.513 ( -8.655 0.000 3.213) 9.232 15.527 ( -0.028 0.000 5.450) 5.450 15.615 ( -1.112 0.000 -1.548) 1.906 15.850 ( 0.348 0.000 -11.080) 11.086 16.069 ( -8.464 0.000 -0.382) 8.473 16.313 ( -10.868 0.000 12.550) 16.601 16.684 ( 1.641 0.000 2.931) 3.359 16.859 ( -0.357 0.000 1.101) 1.157 17.086 ( -7.844 0.000 2.370) 8.194 17.164 ( -12.873 0.000 -2.227) 13.064 17.301 ( -4.531 0.000 5.286) 6.962 17.367 ( -8.017 0.000 -2.470) 8.389 17.446 ( -3.644 0.000 -0.409) 3.667 21.228 ( 2.898 0.000 0.319) 2.915 21.355 ( 3.574 0.000 -1.515) 3.882 21.407 ( 3.215 0.000 1.089) 3.394 21.567 ( 8.418 0.000 -21.569) 23.154 22.026 ( -0.061 0.000 -1.626) 1.627 22.147 ( 1.445 0.000 2.295) 2.712 22.327 ( 1.777 0.000 1.048) 2.063 22.677 ( -4.150 0.000 -5.060) 6.544 22.863 ( 1.802 0.000 0.679) 1.926 23.107 ( 2.170 0.000 1.860) 2.858 23.112 ( -1.959 0.000 -2.059) 2.842 23.198 ( -2.340 0.000 0.338) 2.364 23.628 ( 9.142 0.000 0.662) 9.166 23.840 ( 10.032 0.000 2.143) 10.258 24.304 ( 3.512 0.000 6.830) 7.680 24.309 ( -5.968 0.000 20.694) 21.537 24.486 ( 0.250 0.000 -1.520) 1.540 24.570 ( -2.707 0.000 1.695) 3.194 24.629 ( -9.999 0.000 0.095) 9.999 24.906 ( -5.064 0.000 1.164) 5.196 25.063 ( -0.036 0.000 -8.885) 8.885 25.540 ( -3.385 0.000 -0.117) 3.387 25.588 ( -11.498 0.000 13.012) 17.364 26.229 ( -12.957 0.000 -3.725) 13.481 27.206 ( 3.588 0.000 -0.383) 3.609 27.238 ( 4.706 0.000 0.926) 4.797 27.301 ( 4.195 0.000 0.118) 4.197 27.494 ( 1.410 0.000 -2.701) 3.047 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 17.469 0.000 4.074) 17.938 1.816 ( 5.023 0.000 -3.807) 6.303 1.883 ( 4.436 0.000 2.868) 5.283 1.962 ( 13.942 0.000 5.488) 14.983 1.970 ( -6.318 0.000 -5.112) 8.127 2.106 ( 0.788 0.000 6.265) 6.314 2.163 ( -1.220 0.000 -1.909) 2.265 2.243 ( -0.619 0.000 1.412) 1.542 2.386 ( -2.235 0.000 -1.064) 2.476 2.452 ( 1.594 0.000 -3.697) 4.026 2.480 ( -0.566 0.000 -3.562) 3.606 2.560 ( -2.566 0.000 -3.481) 4.325 2.589 ( 6.989 0.000 -0.854) 7.041 2.670 ( 2.717 0.000 0.666) 2.797 2.738 ( -8.380 0.000 -1.225) 8.469 2.838 ( -1.524 0.000 -1.460) 2.111 2.891 ( -8.356 0.000 1.726) 8.533 2.905 ( 0.538 0.000 -0.012) 0.538 3.004 ( -2.057 0.000 -1.468) 2.527 3.006 ( 1.195 0.000 0.147) 1.204 3.130 ( 1.470 0.000 -1.090) 1.830 3.236 ( 14.998 0.000 7.388) 16.718 3.345 ( 1.779 0.000 0.590) 1.874 3.361 ( 0.121 0.000 0.493) 0.508 3.365 ( -1.063 0.000 0.464) 1.160 3.458 ( 6.875 0.000 0.666) 6.907 3.470 ( 3.525 0.000 0.849) 3.626 3.572 ( -3.275 0.000 -6.497) 7.275 3.647 ( 0.969 0.000 2.098) 2.311 3.679 ( 12.517 0.000 10.506) 16.342 3.765 ( 10.119 0.000 -2.654) 10.462 3.885 ( -3.249 0.000 -0.742) 3.333 4.008 ( -5.369 0.000 -0.850) 5.435 4.033 ( 5.828 0.000 -2.043) 6.176 4.047 ( 5.416 0.000 -5.662) 7.835 4.185 ( -2.538 0.000 0.119) 2.541 4.185 ( -12.055 0.000 1.293) 12.124 4.252 ( -14.954 0.000 -2.209) 15.117 4.275 ( 1.037 0.000 -3.470) 3.622 4.386 ( -7.994 0.000 4.376) 9.113 4.569 ( -1.737 0.000 -1.087) 2.048 4.647 ( 6.857 0.000 7.271) 9.994 4.682 ( -3.256 0.000 -2.735) 4.252 4.830 ( -4.946 0.000 3.030) 5.801 4.954 ( -8.005 0.000 -7.175) 10.750 5.113 ( -0.773 0.000 -0.782) 1.099 5.312 ( 1.042 0.000 -4.765) 4.877 5.371 ( 0.340 0.000 2.498) 2.521 5.399 ( -1.135 0.000 0.404) 1.205 5.483 ( 0.547 0.000 1.729) 1.814 5.514 ( -2.031 0.000 1.867) 2.758 5.593 ( 1.761 0.000 2.494) 3.053 5.897 ( -0.150 0.000 -0.689) 0.705 6.099 ( 8.835 0.000 -4.131) 9.753 6.282 ( -6.169 0.000 3.826) 7.260 6.289 ( -2.100 0.000 1.009) 2.329 6.327 ( 4.011 0.000 4.111) 5.744 6.416 ( -2.270 0.000 -0.093) 2.271 6.490 ( -5.447 0.000 -6.501) 8.481 6.575 ( 0.898 0.000 -2.002) 2.194 6.834 ( -1.250 0.000 1.294) 1.799 6.895 ( -5.608 0.000 -0.167) 5.611 6.936 ( 2.315 0.000 -3.247) 3.988 7.009 ( -2.281 0.000 1.059) 2.515 7.421 ( 9.513 0.000 3.692) 10.204 7.450 ( 0.563 0.000 -1.399) 1.508 7.634 ( -6.290 0.000 -5.786) 8.546 7.860 ( 0.415 0.000 3.000) 3.029 7.927 ( 1.964 0.000 0.299) 1.986 8.090 ( -0.988 0.000 4.835) 4.934 8.122 ( -1.744 0.000 -2.870) 3.359 8.212 ( -0.578 0.000 -0.877) 1.051 8.367 ( -1.974 0.000 3.110) 3.683 8.593 ( 2.867 0.000 5.129) 5.875 8.657 ( 4.845 0.000 0.945) 4.936 8.747 ( 3.151 0.000 -7.354) 8.000 8.798 ( 4.833 0.000 8.421) 9.709 8.882 ( 4.863 0.000 5.655) 7.458 8.928 ( -1.196 0.000 -3.885) 4.065 8.981 ( -0.394 0.000 -7.166) 7.177 9.316 ( 4.808 0.000 -5.206) 7.087 9.327 ( 2.323 0.000 -3.102) 3.875 9.359 ( -7.532 0.000 -4.486) 8.767 9.416 ( -3.536 0.000 0.463) 3.566 9.574 ( -7.139 0.000 3.475) 7.939 9.648 ( -3.722 0.000 2.443) 4.452 9.798 ( -2.387 0.000 2.897) 3.754 9.951 ( -0.063 0.000 2.735) 2.736 10.036 ( -2.527 0.000 -2.491) 3.548 10.100 ( -1.526 0.000 1.031) 1.841 10.279 ( -1.014 0.000 0.143) 1.024 10.471 ( -2.332 0.000 -1.272) 2.656 10.532 ( -2.031 0.000 -2.922) 3.559 10.655 ( 5.614 0.000 0.612) 5.647 10.716 ( 2.508 0.000 -4.085) 4.793 10.809 ( -2.176 0.000 -1.334) 2.553 10.834 ( 6.327 0.000 7.748) 10.003 10.841 ( -5.833 0.000 -0.485) 5.853 11.087 ( 1.792 0.000 -1.792) 2.534 11.140 ( -7.941 0.000 -1.660) 8.112 11.205 ( 5.237 0.000 2.301) 5.720 11.229 ( 0.296 0.000 7.002) 7.008 11.434 ( -5.616 0.000 -0.855) 5.680 11.488 ( 1.787 0.000 -1.853) 2.574 11.584 ( -0.760 0.000 -4.747) 4.808 11.639 ( 13.539 0.000 4.189) 14.172 11.810 ( 9.550 0.000 1.243) 9.630 11.845 ( -2.831 0.000 -0.999) 3.002 11.940 ( -10.522 0.000 -5.071) 11.681 11.989 ( 3.196 0.000 -3.129) 4.472 12.179 ( 3.028 0.000 4.170) 5.153 12.257 ( -0.124 0.000 -4.152) 4.153 12.455 ( -2.911 0.000 1.024) 3.086 12.511 ( 1.737 0.000 0.357) 1.774 12.538 ( 6.156 0.000 2.104) 6.506 12.673 ( 0.860 0.000 -3.982) 4.074 12.752 ( 4.352 0.000 3.279) 5.449 12.817 ( 6.005 0.000 -5.142) 7.906 12.845 ( -1.083 0.000 3.075) 3.260 12.978 ( -1.155 0.000 4.693) 4.833 13.036 ( -3.029 0.000 -2.811) 4.133 13.302 ( 1.440 0.000 -2.547) 2.926 13.317 ( 6.741 0.000 3.052) 7.400 13.377 ( 3.726 0.000 1.648) 4.075 13.449 ( 0.736 0.000 -1.630) 1.789 13.666 ( -9.319 0.000 -5.406) 10.773 13.709 ( 7.163 0.000 0.851) 7.214 13.884 ( 7.910 0.000 -1.576) 8.066 14.115 ( 4.634 0.000 10.566) 11.537 14.266 ( -4.682 0.000 -1.648) 4.963 14.303 ( -2.603 0.000 -0.030) 2.603 14.501 ( 9.901 0.000 6.823) 12.024 14.527 ( 3.966 0.000 -3.667) 5.401 14.764 ( 4.056 0.000 5.568) 6.889 14.861 ( -6.457 0.000 -7.490) 9.889 14.930 ( -4.625 0.000 -8.686) 9.840 15.001 ( -4.478 0.000 -2.387) 5.074 15.235 ( -4.408 0.000 1.079) 4.538 15.462 ( 0.176 0.000 3.931) 3.935 15.498 ( 3.787 0.000 3.819) 5.378 15.594 ( -0.628 0.000 -2.992) 3.057 15.637 ( 5.132 0.000 0.459) 5.153 15.802 ( -3.791 0.000 -3.508) 5.165 15.886 ( -4.461 0.000 -1.690) 4.770 16.186 ( -5.540 0.000 2.816) 6.215 16.740 ( 2.065 0.000 1.922) 2.821 16.843 ( -1.367 0.000 0.645) 1.511 16.927 ( -7.475 0.000 -1.866) 7.705 16.991 ( -2.257 0.000 0.821) 2.402 17.228 ( -3.759 0.000 -0.690) 3.821 17.263 ( -1.634 0.000 2.176) 2.721 17.384 ( -1.676 0.000 -0.571) 1.771 21.275 ( 1.339 0.000 0.154) 1.348 21.407 ( 1.799 0.000 -0.606) 1.898 21.465 ( 1.500 0.000 0.693) 1.652 21.590 ( 2.745 0.000 -6.722) 7.261 22.017 ( -0.094 0.000 -0.622) 0.629 22.180 ( 0.594 0.000 0.967) 1.135 22.378 ( 2.064 0.000 1.288) 2.433 22.565 ( -3.352 0.000 -3.010) 4.505 22.905 ( 1.467 0.000 0.690) 1.622 23.059 ( -1.586 0.000 -1.314) 2.060 23.145 ( 1.303 0.000 -1.895) 2.300 23.168 ( -1.473 0.000 2.977) 3.322 23.836 ( 9.271 0.000 0.743) 9.301 24.050 ( 7.448 0.000 1.535) 7.605 24.294 ( -10.381 0.000 -1.709) 10.520 24.317 ( -2.404 0.000 7.937) 8.293 24.417 ( 2.683 0.000 4.639) 5.359 24.520 ( -2.410 0.000 -0.062) 2.411 24.571 ( -0.442 0.000 -1.580) 1.640 24.789 ( -3.475 0.000 -3.900) 5.223 25.031 ( 0.285 0.000 -2.529) 2.545 25.479 ( -4.778 0.000 5.950) 7.632 25.553 ( 3.058 0.000 2.397) 3.886 25.950 ( -9.822 0.000 -3.782) 10.525 27.259 ( 1.518 0.000 -0.161) 1.526 27.318 ( 2.191 0.000 0.495) 2.246 27.363 ( 1.650 0.000 0.044) 1.650 27.500 ( 0.332 0.000 -0.899) 0.958 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.000 29.181 0.000) 29.181 0.631 ( 0.000 31.465 0.000) 31.465 1.117 ( 0.000 54.986 0.000) 54.986 1.798 ( 0.000 -4.679 0.000) 4.679 1.886 ( 0.000 -11.063 0.000) 11.063 1.980 ( 0.000 -7.222 0.000) 7.222 2.037 ( 0.000 -5.356 0.000) 5.356 2.169 ( 0.000 2.238 0.000) 2.238 2.201 ( 0.000 6.358 0.000) 6.358 2.267 ( 0.000 3.267 0.000) 3.267 2.400 ( 0.000 -5.052 0.000) 5.052 2.430 ( 0.000 -6.205 0.000) 6.205 2.571 ( 0.000 -0.247 0.000) 0.247 2.575 ( 0.000 2.727 0.000) 2.727 2.653 ( 0.000 -0.527 0.000) 0.527 2.694 ( 0.000 -4.266 0.000) 4.266 2.716 ( 0.000 5.429 0.000) 5.429 2.763 ( 0.000 -6.034 0.000) 6.034 2.958 ( 0.000 5.961 0.000) 5.961 2.975 ( 0.000 -6.473 0.000) 6.473 3.132 ( 0.000 8.795 0.000) 8.795 3.180 ( 0.000 8.160 0.000) 8.160 3.223 ( 0.000 1.195 0.000) 1.195 3.293 ( 0.000 2.432 0.000) 2.432 3.297 ( 0.000 5.649 0.000) 5.649 3.359 ( 0.000 1.315 0.000) 1.315 3.540 ( 0.000 -2.219 0.000) 2.219 3.546 ( 0.000 -0.339 0.000) 0.339 3.655 ( 0.000 -3.046 0.000) 3.046 3.697 ( 0.000 1.696 0.000) 1.696 3.714 ( 0.000 -0.528 0.000) 0.528 3.813 ( 0.000 -1.109 0.000) 1.109 3.872 ( 0.000 -12.187 0.000) 12.187 3.926 ( 0.000 7.591 0.000) 7.591 4.118 ( 0.000 -17.636 0.000) 17.636 4.157 ( 0.000 3.525 0.000) 3.525 4.311 ( 0.000 -4.562 0.000) 4.562 4.471 ( 0.000 -0.330 0.000) 0.330 4.495 ( 0.000 4.339 0.000) 4.339 4.618 ( 0.000 -1.884 0.000) 1.884 4.685 ( 0.000 2.231 0.000) 2.231 4.899 ( 0.000 -3.196 0.000) 3.196 4.942 ( 0.000 2.683 0.000) 2.683 5.123 ( 0.000 4.672 0.000) 4.672 5.125 ( 0.000 -2.586 0.000) 2.586 5.176 ( 0.000 1.277 0.000) 1.277 5.234 ( 0.000 3.672 0.000) 3.672 5.247 ( 0.000 3.942 0.000) 3.942 5.448 ( 0.000 -2.248 0.000) 2.248 5.514 ( 0.000 -0.364 0.000) 0.364 5.570 ( 0.000 -0.621 0.000) 0.621 5.582 ( 0.000 1.744 0.000) 1.744 5.820 ( 0.000 0.129 0.000) 0.129 5.984 ( 0.000 -5.753 0.000) 5.753 6.132 ( 0.000 2.773 0.000) 2.773 6.190 ( 0.000 2.386 0.000) 2.386 6.247 ( 0.000 0.317 0.000) 0.317 6.476 ( 0.000 -4.953 0.000) 4.953 6.648 ( 0.000 0.317 0.000) 0.317 6.658 ( 0.000 -0.379 0.000) 0.379 7.062 ( 0.000 0.364 0.000) 0.364 7.148 ( 0.000 1.848 0.000) 1.848 7.247 ( 0.000 2.104 0.000) 2.104 7.369 ( 0.000 -10.200 0.000) 10.200 7.499 ( 0.000 6.203 0.000) 6.203 7.565 ( 0.000 0.803 0.000) 0.803 7.800 ( 0.000 -6.483 0.000) 6.483 7.833 ( 0.000 10.554 0.000) 10.554 7.949 ( 0.000 -6.232 0.000) 6.232 8.093 ( 0.000 4.444 0.000) 4.444 8.230 ( 0.000 4.200 0.000) 4.200 8.291 ( 0.000 -0.758 0.000) 0.758 8.301 ( 0.000 4.576 0.000) 4.576 8.426 ( 0.000 3.034 0.000) 3.034 8.602 ( 0.000 0.049 0.000) 0.049 8.750 ( 0.000 -3.092 0.000) 3.092 8.795 ( 0.000 -2.748 0.000) 2.748 8.863 ( 0.000 0.082 0.000) 0.082 9.104 ( 0.000 0.723 0.000) 0.723 9.241 ( 0.000 7.654 0.000) 7.654 9.373 ( 0.000 1.061 0.000) 1.061 9.394 ( 0.000 1.501 0.000) 1.501 9.538 ( 0.000 -6.707 0.000) 6.707 9.545 ( 0.000 2.542 0.000) 2.542 9.725 ( 0.000 -4.198 0.000) 4.198 9.744 ( 0.000 -0.395 0.000) 0.395 9.827 ( 0.000 -4.392 0.000) 4.392 9.938 ( 0.000 -1.886 0.000) 1.886 10.109 ( 0.000 4.455 0.000) 4.455 10.220 ( 0.000 -0.580 0.000) 0.580 10.308 ( 0.000 6.647 0.000) 6.647 10.411 ( 0.000 -3.713 0.000) 3.713 10.470 ( 0.000 -2.519 0.000) 2.519 10.493 ( 0.000 3.121 0.000) 3.121 10.604 ( 0.000 1.563 0.000) 1.563 10.734 ( 0.000 2.162 0.000) 2.162 10.859 ( 0.000 -2.331 0.000) 2.331 11.072 ( 0.000 1.405 0.000) 1.405 11.133 ( 0.000 -2.531 0.000) 2.531 11.163 ( 0.000 -4.794 0.000) 4.794 11.194 ( 0.000 -3.329 0.000) 3.329 11.257 ( 0.000 -7.913 0.000) 7.913 11.290 ( 0.000 -0.395 0.000) 0.395 11.376 ( 0.000 3.181 0.000) 3.181 11.451 ( 0.000 -4.575 0.000) 4.575 11.547 ( 0.000 -3.349 0.000) 3.349 11.607 ( 0.000 7.829 0.000) 7.829 11.645 ( 0.000 -0.377 0.000) 0.377 11.773 ( 0.000 7.950 0.000) 7.950 11.867 ( 0.000 -6.799 0.000) 6.799 12.050 ( 0.000 -1.315 0.000) 1.315 12.121 ( 0.000 4.982 0.000) 4.982 12.205 ( 0.000 -8.476 0.000) 8.476 12.230 ( 0.000 0.584 0.000) 0.584 12.295 ( 0.000 2.544 0.000) 2.544 12.333 ( 0.000 -1.088 0.000) 1.088 12.375 ( 0.000 2.017 0.000) 2.017 12.655 ( 0.000 4.529 0.000) 4.529 12.693 ( 0.000 -4.080 0.000) 4.080 12.741 ( 0.000 -3.483 0.000) 3.483 12.762 ( 0.000 -1.570 0.000) 1.570 13.054 ( 0.000 8.058 0.000) 8.058 13.190 ( 0.000 -0.069 0.000) 0.069 13.357 ( 0.000 -2.683 0.000) 2.683 13.371 ( 0.000 1.652 0.000) 1.652 13.476 ( 0.000 3.358 0.000) 3.358 13.479 ( 0.000 -2.704 0.000) 2.704 13.515 ( 0.000 -4.275 0.000) 4.275 13.893 ( 0.000 0.579 0.000) 0.579 14.045 ( 0.000 -5.626 0.000) 5.626 14.133 ( 0.000 4.841 0.000) 4.841 14.378 ( 0.000 -6.454 0.000) 6.454 14.628 ( 0.000 4.650 0.000) 4.650 14.798 ( 0.000 -6.246 0.000) 6.246 14.819 ( 0.000 -4.550 0.000) 4.550 15.013 ( 0.000 -9.418 0.000) 9.418 15.040 ( 0.000 10.011 0.000) 10.011 15.196 ( 0.000 -0.518 0.000) 0.518 15.249 ( 0.000 1.243 0.000) 1.243 15.536 ( 0.000 -1.619 0.000) 1.619 15.775 ( 0.000 9.299 0.000) 9.299 15.967 ( 0.000 3.859 0.000) 3.859 15.976 ( 0.000 5.701 0.000) 5.701 16.133 ( 0.000 3.826 0.000) 3.826 16.329 ( 0.000 -0.529 0.000) 0.529 16.612 ( 0.000 -8.173 0.000) 8.173 16.906 ( 0.000 4.794 0.000) 4.794 17.294 ( 0.000 0.281 0.000) 0.281 17.309 ( 0.000 -6.156 0.000) 6.156 17.487 ( 0.000 -4.430 0.000) 4.430 17.591 ( 0.000 5.248 0.000) 5.248 17.714 ( 0.000 0.012 0.000) 0.012 20.993 ( 0.000 2.355 0.000) 2.355 21.161 ( 0.000 1.568 0.000) 1.568 21.263 ( 0.000 -4.428 0.000) 4.428 21.384 ( 0.000 -4.004 0.000) 4.004 22.064 ( 0.000 0.778 0.000) 0.778 22.070 ( 0.000 0.315 0.000) 0.315 22.351 ( 0.000 6.101 0.000) 6.101 22.772 ( 0.000 -3.971 0.000) 3.971 22.879 ( 0.000 5.595 0.000) 5.595 23.201 ( 0.000 3.096 0.000) 3.096 23.248 ( 0.000 6.901 0.000) 6.901 23.351 ( 0.000 -5.974 0.000) 5.974 23.481 ( 0.000 -3.278 0.000) 3.278 23.731 ( 0.000 -3.825 0.000) 3.825 24.193 ( 0.000 2.954 0.000) 2.954 24.340 ( 0.000 -0.114 0.000) 0.114 24.593 ( 0.000 -1.926 0.000) 1.926 24.836 ( 0.000 -8.862 0.000) 8.862 24.892 ( 0.000 2.696 0.000) 2.696 24.967 ( 0.000 3.058 0.000) 3.058 25.161 ( 0.000 0.723 0.000) 0.723 25.503 ( 0.000 -9.778 0.000) 9.778 26.102 ( 0.000 18.334 0.000) 18.334 26.910 ( 0.000 -5.178 0.000) 5.178 27.087 ( 0.000 0.064 0.000) 0.064 27.095 ( 0.000 -0.104 0.000) 0.104 27.120 ( 0.000 0.401 0.000) 0.401 27.221 ( 0.000 -3.030 0.000) 3.030 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 20.670 19.674 3.047) 28.699 1.001 ( 21.940 21.309 7.127) 31.404 1.537 ( 32.594 33.176 14.487) 48.712 1.800 ( -0.795 -4.730 0.073) 4.797 1.908 ( -1.255 -6.901 -0.157) 7.016 1.955 ( 3.117 -7.296 3.087) 8.513 2.081 ( 2.626 -0.994 1.225) 3.063 2.152 ( -0.171 5.426 0.143) 5.430 2.214 ( -0.518 0.449 -0.566) 0.889 2.306 ( 3.630 -0.123 -1.836) 4.070 2.433 ( 1.190 -1.664 -0.417) 2.087 2.489 ( 5.108 -5.801 -1.474) 7.869 2.545 ( -1.123 0.229 1.159) 1.630 2.608 ( 1.786 -0.061 -1.974) 2.663 2.646 ( 2.280 0.677 -7.929) 8.278 2.691 ( 5.236 -0.509 -2.927) 6.020 2.807 ( 7.445 -0.933 1.345) 7.623 2.888 ( 3.080 -4.552 11.336) 12.598 2.942 ( -1.501 4.702 0.030) 4.936 2.995 ( 2.598 -6.830 1.261) 7.415 3.072 ( -3.097 2.912 -1.830) 4.629 3.212 ( 3.720 7.665 -2.290) 8.822 3.257 ( 3.160 3.605 -2.440) 5.379 3.301 ( -1.257 0.620 -2.911) 3.231 3.309 ( -0.199 1.628 4.982) 5.245 3.355 ( 0.545 5.619 1.313) 5.796 3.432 ( -5.853 0.075 -1.298) 5.996 3.570 ( -3.039 -3.772 0.744) 4.901 3.586 ( -2.425 0.927 -0.294) 2.613 3.675 ( 0.929 2.058 1.901) 2.952 3.704 ( -2.410 -4.787 -2.137) 5.770 3.819 ( 5.077 -0.207 -2.127) 5.509 3.909 ( 0.116 3.389 -4.220) 5.414 3.975 ( 4.469 -5.922 -1.523) 7.574 4.136 ( -0.380 -8.837 3.327) 9.450 4.154 ( 0.176 1.354 -2.424) 2.782 4.327 ( 1.377 -2.585 -0.850) 3.049 4.492 ( -1.359 -2.704 0.151) 3.030 4.551 ( 2.325 3.889 1.789) 4.871 4.612 ( -4.006 -0.775 2.473) 4.772 4.692 ( -3.139 -0.635 -0.528) 3.246 4.851 ( -7.185 1.412 -1.360) 7.447 4.882 ( -2.271 -2.119 0.798) 3.207 5.072 ( -4.820 -1.201 0.116) 4.969 5.145 ( -0.305 1.752 -4.692) 5.018 5.183 ( -0.319 -1.523 0.583) 1.661 5.252 ( 1.676 3.236 0.291) 3.656 5.295 ( 3.561 1.865 0.112) 4.021 5.417 ( -1.796 -0.101 1.424) 2.294 5.478 ( -3.548 -0.699 1.076) 3.773 5.569 ( -1.051 1.634 -0.483) 2.002 5.616 ( 2.981 -0.256 1.182) 3.217 5.976 ( 3.693 -3.757 3.599) 6.380 6.016 ( 9.887 -6.099 -1.922) 11.775 6.060 ( -4.731 4.455 1.203) 6.609 6.219 ( 0.855 0.482 3.970) 4.090 6.282 ( 2.168 0.015 0.695) 2.277 6.480 ( -0.750 -2.859 2.736) 4.028 6.598 ( -1.794 -1.717 -2.609) 3.602 6.676 ( 1.071 0.309 -3.138) 3.330 6.980 ( -4.767 -1.763 -10.529) 11.692 7.074 ( -6.215 1.519 -0.476) 6.415 7.135 ( -4.527 0.716 -2.204) 5.085 7.257 ( -11.339 -4.399 2.860) 12.494 7.494 ( -1.735 5.779 4.050) 7.267 7.628 ( 4.806 -0.111 1.800) 5.133 7.808 ( -10.549 5.105 1.564) 11.823 7.822 ( 1.682 2.274 0.790) 2.937 7.923 ( -3.331 3.884 -2.511) 5.699 8.098 ( 2.914 5.287 -0.611) 6.067 8.194 ( -1.637 4.702 1.593) 5.228 8.251 ( -5.252 9.057 7.666) 12.977 8.279 ( -6.600 6.177 -10.404) 13.782 8.409 ( 7.777 3.785 -1.750) 8.824 8.538 ( -3.389 -0.358 2.596) 4.284 8.597 ( -2.906 0.192 -2.447) 3.804 8.768 ( -2.026 -1.821 -2.765) 3.882 8.796 ( 0.099 -3.189 0.795) 3.288 9.028 ( 3.585 5.036 -7.570) 9.773 9.110 ( -3.438 6.860 -2.922) 8.211 9.223 ( -1.603 0.001 -3.824) 4.146 9.385 ( -1.764 -2.015 -3.659) 4.535 9.440 ( -0.339 2.409 4.842) 5.418 9.566 ( -5.092 -5.745 2.650) 8.122 9.694 ( -2.032 2.805 9.008) 9.651 9.799 ( 1.153 -2.559 5.853) 6.491 9.847 ( -4.281 -4.836 0.372) 6.470 9.953 ( -1.086 -2.496 7.423) 7.906 10.199 ( 1.761 0.739 4.737) 5.107 10.244 ( 0.717 2.498 -1.686) 3.098 10.272 ( -0.218 1.199 -4.766) 4.920 10.444 ( 2.955 0.529 -0.329) 3.020 10.487 ( 1.228 1.336 0.088) 1.817 10.539 ( 2.299 2.935 3.203) 4.915 10.708 ( 0.435 3.828 1.445) 4.114 10.775 ( 8.444 -8.194 -11.528) 16.472 10.825 ( 2.279 1.445 -1.393) 3.037 10.912 ( -1.721 0.283 -2.153) 2.771 11.085 ( -5.149 -2.764 3.108) 6.619 11.170 ( -3.774 -5.175 -0.234) 6.409 11.224 ( -1.675 3.237 -0.656) 3.703 11.238 ( -3.039 0.872 -0.315) 3.177 11.291 ( -5.363 -1.268 -4.802) 7.310 11.349 ( 5.726 -5.865 0.788) 8.235 11.514 ( 4.390 -0.769 -1.978) 4.876 11.609 ( 6.561 6.416 -4.383) 10.170 11.665 ( -1.359 -3.517 -0.924) 3.882 11.734 ( 2.077 -1.443 0.856) 2.670 11.856 ( 3.826 -0.563 -4.993) 6.316 11.930 ( 6.185 -8.512 0.423) 10.530 12.089 ( 1.118 -7.275 -0.857) 7.410 12.212 ( 3.422 -0.998 0.011) 3.565 12.273 ( 2.330 -3.818 0.474) 4.498 12.312 ( 6.958 -2.829 3.127) 8.136 12.351 ( 5.784 2.859 -0.751) 6.496 12.456 ( 8.312 -2.717 -0.606) 8.765 12.638 ( 1.566 0.632 4.337) 4.654 12.647 ( 0.874 4.616 0.154) 4.701 12.756 ( 5.537 1.381 -2.948) 6.423 12.866 ( 20.036 -10.302 7.284) 23.678 12.903 ( 2.822 -2.098 0.292) 3.529 13.026 ( 3.867 4.406 -0.278) 5.868 13.212 ( 2.510 -0.105 -2.376) 3.458 13.305 ( 1.442 -2.337 -12.401) 12.701 13.399 ( 1.999 -1.806 -0.666) 2.775 13.432 ( -5.032 -3.727 -1.634) 6.471 13.536 ( 6.949 1.332 0.439) 7.089 13.588 ( 7.048 -4.441 2.531) 8.706 13.935 ( 3.470 -1.707 -7.395) 8.345 14.121 ( 4.524 -0.891 10.205) 11.198 14.145 ( 0.020 1.989 5.811) 6.142 14.457 ( 2.634 -8.698 7.891) 12.036 14.624 ( -7.354 -5.697 -5.757) 10.940 14.663 ( 2.796 4.204 -4.992) 7.100 14.940 ( 0.143 1.337 -7.196) 7.321 14.964 ( 4.843 -0.583 2.187) 5.346 15.076 ( -2.009 -3.574 7.738) 8.757 15.242 ( 6.482 -0.451 -6.023) 8.860 15.311 ( 7.275 -5.728 -8.411) 12.509 15.518 ( -2.478 -4.068 0.891) 4.845 15.751 ( -3.444 6.165 -3.557) 7.908 15.814 ( -8.734 8.744 0.168) 12.360 15.951 ( -3.481 1.068 -6.190) 7.181 16.142 ( -1.850 1.461 5.675) 6.145 16.344 ( -3.987 -1.563 11.980) 12.723 16.636 ( -1.278 -5.429 8.807) 10.425 16.905 ( -0.138 4.386 -0.098) 4.390 17.224 ( -6.535 0.470 2.022) 6.857 17.245 ( -5.992 -6.491 -0.033) 8.834 17.458 ( -2.705 -4.034 -1.213) 5.006 17.519 ( -6.449 5.099 0.916) 8.272 17.598 ( -8.600 2.221 -1.707) 9.045 21.137 ( 9.261 -5.227 -4.762) 11.652 21.187 ( 3.082 0.447 -0.368) 3.136 21.295 ( 2.681 -4.067 0.804) 4.937 21.422 ( 6.159 -5.643 -9.431) 12.599 22.054 ( 0.267 1.265 -2.002) 2.383 22.100 ( 1.649 0.070 1.260) 2.076 22.365 ( 1.121 6.359 1.079) 6.546 22.770 ( -0.129 -3.188 -0.935) 3.325 22.907 ( 1.655 6.656 1.933) 7.126 23.186 ( -1.198 3.509 -1.295) 3.927 23.214 ( -1.789 6.605 -0.674) 6.876 23.409 ( 3.180 -3.719 -0.567) 4.926 23.486 ( -0.396 4.986 -4.527) 6.746 23.648 ( 1.212 -0.085 -8.413) 8.500 24.178 ( -1.981 1.225 4.925) 5.448 24.370 ( 0.883 0.132 4.456) 4.545 24.518 ( -11.926 8.169 5.497) 15.465 24.595 ( -3.516 0.748 0.656) 3.654 24.785 ( -5.869 -4.081 0.207) 7.151 24.997 ( -4.358 0.246 12.973) 13.688 25.115 ( -2.645 0.458 -4.563) 5.294 25.431 ( -6.488 -9.740 3.685) 12.269 26.033 ( -9.070 16.832 5.487) 19.892 26.570 ( -15.882 5.267 -0.411) 16.737 27.136 ( 3.518 -0.088 0.277) 3.530 27.142 ( 2.933 0.184 0.123) 2.941 27.200 ( 4.754 -0.759 -0.089) 4.815 27.369 ( 6.848 -8.229 -3.387) 11.229 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 22.348 10.851 4.388) 25.227 1.502 ( 22.457 12.128 8.108) 26.780 1.780 ( 2.156 -1.771 -4.624) 5.401 1.909 ( 1.518 -1.754 0.725) 2.430 2.040 ( -0.157 0.697 -0.488) 0.865 2.071 ( -1.446 -3.522 5.265) 6.497 2.114 ( 2.467 0.054 0.628) 2.546 2.204 ( 2.341 -0.562 2.246) 3.292 2.330 ( 11.241 4.044 -2.025) 12.116 2.404 ( 14.579 4.598 1.364) 15.347 2.440 ( -1.249 -2.809 -2.257) 3.814 2.544 ( 4.681 -1.216 -0.382) 4.851 2.565 ( 2.712 2.216 -2.292) 4.186 2.626 ( -1.384 -3.110 -0.459) 3.435 2.689 ( 4.873 -1.322 -1.300) 5.214 2.773 ( 3.682 0.048 -1.630) 4.027 2.888 ( -1.343 0.288 0.751) 1.566 2.906 ( 1.947 -0.336 -0.051) 1.976 2.983 ( -0.179 -1.710 3.039) 3.492 3.044 ( 2.902 -2.171 0.495) 3.658 3.128 ( -7.988 -1.521 -2.905) 8.635 3.192 ( 6.739 -0.602 3.743) 7.732 3.252 ( 1.732 0.323 2.001) 2.666 3.286 ( 4.024 0.468 -4.491) 6.048 3.350 ( 4.176 4.516 -1.692) 6.379 3.378 ( 0.407 2.218 5.675) 6.106 3.446 ( -3.160 0.925 -1.544) 3.637 3.502 ( 6.682 6.360 4.365) 10.206 3.598 ( 0.092 -0.400 -0.011) 0.410 3.668 ( 1.057 -0.176 -2.172) 2.422 3.703 ( -0.156 2.779 -1.594) 3.208 3.870 ( 3.440 -4.107 -5.589) 7.742 3.944 ( 3.946 0.664 -0.330) 4.015 4.025 ( 1.603 -0.899 -3.237) 3.723 4.125 ( -0.570 -0.681 2.006) 2.194 4.141 ( -0.517 3.550 -0.758) 3.667 4.318 ( -2.084 -1.667 -3.104) 4.094 4.434 ( -5.062 -4.518 1.469) 6.943 4.496 ( -7.978 1.126 1.095) 8.131 4.547 ( -6.206 3.881 0.441) 7.333 4.590 ( -2.588 1.479 2.991) 4.223 4.664 ( -8.422 1.518 -1.916) 8.769 4.798 ( -6.344 -3.190 0.450) 7.115 4.951 ( -6.804 1.649 0.340) 7.009 5.114 ( -1.799 -1.898 -1.409) 2.971 5.137 ( -3.374 -1.538 -4.181) 5.588 5.260 ( 1.489 0.817 -1.571) 2.314 5.343 ( 1.677 0.562 3.052) 3.527 5.374 ( -3.928 -4.251 -1.467) 5.971 5.507 ( 3.578 3.473 5.872) 7.703 5.528 ( -2.143 0.809 -1.056) 2.522 5.635 ( -3.420 3.136 2.846) 5.443 5.977 ( 0.847 3.184 -2.505) 4.139 6.026 ( 1.175 3.905 -0.483) 4.106 6.210 ( 5.759 -1.715 2.011) 6.337 6.274 ( -1.167 -2.189 7.349) 7.757 6.340 ( 3.619 -0.019 -1.207) 3.815 6.472 ( -0.055 0.720 -1.031) 1.259 6.544 ( -1.396 -3.170 -4.491) 5.672 6.648 ( -2.531 -1.136 -5.906) 6.525 6.884 ( 2.180 -0.743 -7.886) 8.216 6.929 ( -6.028 1.416 -0.720) 6.234 7.037 ( -2.375 1.949 2.721) 4.104 7.097 ( -7.361 -1.232 1.923) 7.708 7.446 ( -6.220 9.683 1.166) 11.568 7.534 ( -4.082 8.205 -1.782) 9.336 7.777 ( 3.584 0.860 5.006) 6.217 7.793 ( -2.261 1.801 -8.444) 8.925 7.891 ( 1.410 3.302 3.734) 5.181 8.118 ( -3.111 1.278 2.115) 3.973 8.177 ( -0.717 0.106 -0.828) 1.101 8.236 ( -0.293 4.126 1.449) 4.383 8.333 ( 6.818 -0.142 9.065) 11.344 8.467 ( -2.830 -2.475 -5.486) 6.651 8.565 ( 2.857 1.285 1.375) 3.421 8.628 ( 11.384 2.910 2.308) 11.974 8.726 ( -2.731 -1.547 2.825) 4.223 8.836 ( 2.082 -1.758 -1.223) 2.987 8.960 ( -0.676 4.503 -6.550) 7.978 9.105 ( -3.608 0.160 -3.887) 5.306 9.170 ( 2.668 -3.164 -6.641) 7.825 9.315 ( -1.151 -5.046 -4.038) 6.564 9.451 ( -0.028 2.520 0.508) 2.571 9.484 ( -4.434 -3.800 0.297) 5.847 9.702 ( -4.927 -1.836 1.696) 5.525 9.723 ( -6.201 -2.918 5.884) 9.032 9.843 ( -2.573 2.060 5.388) 6.316 9.923 ( -2.598 -0.878 3.666) 4.578 10.135 ( -5.051 1.608 -0.651) 5.340 10.234 ( -2.783 4.206 1.593) 5.289 10.304 ( 1.403 1.540 2.620) 3.347 10.499 ( 2.472 1.272 -1.080) 2.982 10.547 ( -1.134 0.141 -0.457) 1.231 10.592 ( 7.828 3.311 -2.535) 8.869 10.638 ( -4.835 -2.788 -1.448) 5.767 10.796 ( -4.483 -2.446 -0.184) 5.110 10.878 ( 4.476 -0.023 1.788) 4.820 10.932 ( -1.310 0.000 -5.248) 5.409 11.021 ( -2.730 -6.426 6.542) 9.568 11.074 ( 1.070 -4.099 0.795) 4.311 11.136 ( -2.348 1.538 -0.161) 2.812 11.250 ( -0.472 -4.358 -2.681) 5.138 11.350 ( 9.682 2.846 5.180) 11.343 11.456 ( 1.200 0.028 -4.404) 4.565 11.557 ( -2.977 0.156 -3.850) 4.869 11.637 ( 8.879 5.252 -3.122) 10.778 11.730 ( 6.170 5.240 -1.181) 8.181 11.781 ( 1.510 -7.207 -2.549) 7.792 11.824 ( -0.012 -5.490 -3.731) 6.638 12.065 ( 8.365 -2.462 -1.420) 8.834 12.106 ( -4.249 -0.829 -2.173) 4.844 12.256 ( 0.766 -0.956 2.322) 2.625 12.319 ( 7.460 -5.833 3.995) 10.278 12.451 ( 3.627 0.978 1.118) 3.919 12.512 ( 1.593 -2.989 -3.501) 4.871 12.571 ( 7.731 -3.373 1.390) 8.548 12.674 ( 3.998 3.194 -2.562) 5.722 12.711 ( 1.407 4.057 3.792) 5.728 12.833 ( 0.414 1.924 -2.733) 3.368 12.953 ( 3.729 2.059 5.190) 6.714 13.088 ( 2.808 -1.247 1.723) 3.523 13.192 ( 5.272 -3.341 -2.498) 6.722 13.204 ( 6.064 -3.551 -0.696) 7.062 13.304 ( 0.736 -3.470 -5.700) 6.714 13.342 ( 0.262 -0.155 -3.277) 3.291 13.554 ( 12.685 4.712 -0.354) 13.537 13.680 ( 5.656 -4.151 1.661) 7.210 13.788 ( 7.913 -4.895 -1.132) 9.374 13.931 ( 2.095 1.586 1.951) 3.273 14.173 ( 1.014 -2.388 6.785) 7.264 14.335 ( 6.874 1.268 7.861) 10.520 14.454 ( -4.714 -3.012 -5.827) 8.078 14.512 ( -1.690 -2.382 2.440) 3.806 14.670 ( 2.730 2.984 -3.814) 5.559 14.957 ( 6.089 1.662 -9.473) 11.383 14.973 ( -4.051 1.618 -1.913) 4.763 15.122 ( 1.135 -4.705 6.956) 8.474 15.274 ( -4.332 -3.373 -5.914) 8.070 15.407 ( 6.938 -4.622 -6.049) 10.300 15.462 ( -2.795 -2.521 2.612) 4.582 15.585 ( -6.656 1.668 -0.915) 6.923 15.659 ( -5.957 1.240 1.830) 6.354 15.887 ( -0.251 6.182 -2.880) 6.825 16.066 ( -7.878 0.553 0.419) 7.908 16.298 ( -6.588 0.264 7.737) 10.165 16.663 ( -0.473 -3.484 5.605) 6.617 16.893 ( -1.244 2.993 0.396) 3.265 17.082 ( -9.374 -5.466 -0.856) 10.885 17.096 ( -6.517 1.527 2.200) 7.046 17.349 ( -6.261 1.443 0.828) 6.478 17.402 ( -7.560 2.907 -2.117) 8.372 17.421 ( -4.552 -1.366 0.522) 4.782 21.225 ( 2.998 -0.410 -0.246) 3.036 21.284 ( 5.812 -4.238 -2.796) 7.718 21.367 ( 3.197 -3.680 1.649) 5.146 21.478 ( 5.183 -6.508 -10.324) 13.259 22.047 ( 0.266 1.953 -1.792) 2.664 22.144 ( 1.841 -0.243 0.883) 2.056 22.412 ( 2.514 7.175 2.422) 7.979 22.734 ( -2.640 0.981 -3.103) 4.191 22.947 ( 1.178 8.994 1.215) 9.152 23.146 ( -1.385 3.588 -1.110) 4.003 23.194 ( -0.373 5.603 0.783) 5.669 23.312 ( -3.636 10.360 -7.990) 13.579 23.583 ( 8.072 -3.701 2.449) 9.211 23.762 ( 9.121 -7.296 0.992) 11.722 24.175 ( -5.179 -6.771 12.210) 14.892 24.398 ( -0.372 1.646 3.404) 3.799 24.434 ( -2.487 -2.523 -1.551) 3.867 24.537 ( -3.648 -1.762 0.799) 4.129 24.653 ( -5.647 2.617 2.076) 6.561 24.980 ( -1.138 -5.227 -0.945) 5.432 25.020 ( -2.925 6.185 -2.084) 7.152 25.369 ( -1.558 -6.750 5.299) 8.722 25.837 ( -12.382 13.788 5.178) 19.241 26.251 ( -15.336 1.217 -2.952) 15.665 27.207 ( 3.521 0.165 -0.278) 3.536 27.233 ( 4.491 -0.429 0.795) 4.581 27.296 ( 4.410 -0.302 -0.017) 4.420 27.443 ( 2.928 -4.559 -2.018) 5.781 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 13.890 4.569 4.605) 15.330 1.837 ( 4.747 1.542 -2.049) 5.396 1.908 ( -1.694 0.966 -0.639) 2.052 1.964 ( 11.282 2.604 0.892) 11.613 1.991 ( 2.753 0.331 0.255) 2.785 2.069 ( -0.769 -2.876 3.222) 4.386 2.094 ( -1.072 -4.042 0.661) 4.234 2.261 ( -2.664 -0.119 -0.212) 2.675 2.346 ( -0.996 -3.605 -1.507) 4.032 2.466 ( 4.196 1.558 -2.718) 5.236 2.509 ( -3.248 1.012 -1.619) 3.768 2.547 ( 0.558 -4.344 -4.422) 6.224 2.567 ( 2.216 -1.012 1.323) 2.772 2.653 ( -0.783 1.267 1.804) 2.339 2.714 ( -4.945 -0.952 -2.149) 5.475 2.792 ( 1.470 -3.950 -1.499) 4.473 2.820 ( -2.003 -4.078 -0.070) 4.544 2.941 ( -5.588 3.534 -1.313) 6.740 2.985 ( 3.703 1.009 -0.136) 3.840 3.070 ( -1.137 -4.189 1.957) 4.762 3.132 ( -2.960 5.907 -1.631) 6.805 3.253 ( 9.843 1.854 7.542) 12.538 3.357 ( 2.361 1.408 0.255) 2.761 3.391 ( 2.070 2.857 -2.088) 4.100 3.412 ( 0.729 2.412 0.249) 2.532 3.483 ( 9.517 0.104 1.091) 9.580 3.520 ( 7.810 2.523 1.494) 8.342 3.559 ( -2.093 0.321 -2.637) 3.382 3.661 ( 1.159 3.614 0.608) 3.844 3.706 ( 7.182 -1.104 5.520) 9.125 3.778 ( 8.120 4.097 2.089) 9.332 3.864 ( -2.312 -5.461 -1.246) 6.060 3.962 ( -0.755 0.750 -2.018) 2.281 4.002 ( -4.377 0.175 -3.616) 5.681 4.090 ( -3.844 -2.911 -0.418) 4.840 4.129 ( 1.319 5.248 -3.746) 6.582 4.280 ( -6.648 2.746 0.247) 7.197 4.282 ( -1.982 3.001 -2.399) 4.323 4.353 ( -4.419 -0.951 1.675) 4.821 4.418 ( -5.323 9.183 1.522) 10.723 4.530 ( -3.364 -1.645 -0.645) 3.800 4.620 ( 4.811 -2.907 2.426) 6.123 4.724 ( -1.496 2.814 1.127) 3.381 4.805 ( -7.834 -3.190 -0.524) 8.475 5.008 ( -3.951 4.740 -3.029) 6.874 5.064 ( -1.603 -4.707 -0.530) 5.001 5.278 ( -0.437 -3.736 -4.787) 6.088 5.346 ( 2.243 -2.260 3.031) 4.396 5.375 ( -0.182 0.196 1.260) 1.288 5.468 ( -2.298 -2.878 -1.499) 3.976 5.542 ( -2.500 3.205 2.897) 4.992 5.623 ( 0.796 1.816 3.117) 3.694 5.980 ( 0.521 7.281 -0.704) 7.334 6.126 ( 8.768 2.421 -3.797) 9.857 6.265 ( -2.134 -0.629 3.257) 3.944 6.319 ( 0.421 0.372 2.149) 2.221 6.334 ( -0.802 1.074 2.270) 2.636 6.440 ( -2.676 1.820 -0.523) 3.278 6.467 ( -3.955 -2.206 -5.759) 7.326 6.562 ( -0.039 -1.084 -1.821) 2.120 6.865 ( -0.821 3.506 0.873) 3.705 6.906 ( 1.851 -1.127 -2.292) 3.154 6.951 ( -4.965 4.972 -0.579) 7.051 7.070 ( 0.863 4.286 0.705) 4.429 7.457 ( 6.918 3.634 2.804) 8.302 7.503 ( -0.044 5.287 -1.096) 5.399 7.651 ( -6.938 1.505 -5.218) 8.811 7.857 ( -0.020 -0.758 2.648) 2.755 7.956 ( 3.064 2.026 1.935) 4.152 8.079 ( -1.912 -0.903 1.277) 2.470 8.134 ( -1.445 2.893 -0.401) 3.259 8.220 ( -1.710 1.332 -1.322) 2.539 8.385 ( 0.394 -0.034 2.962) 2.988 8.600 ( 4.925 -0.339 -0.313) 4.947 8.633 ( 5.461 -5.403 6.203) 9.873 8.709 ( 0.260 0.208 2.684) 2.704 8.808 ( 0.754 0.370 -6.212) 6.269 8.851 ( 0.009 -0.739 0.181) 0.761 8.917 ( 1.814 -1.370 1.620) 2.792 9.023 ( -2.588 0.545 -3.619) 4.483 9.205 ( 4.899 -4.455 -3.444) 7.464 9.282 ( 0.015 -3.693 0.675) 3.754 9.371 ( -6.248 -2.238 -0.076) 6.638 9.476 ( 3.484 6.373 -4.037) 8.310 9.598 ( -4.511 -6.056 2.061) 7.828 9.608 ( -6.664 2.823 0.283) 7.243 9.806 ( -2.086 2.647 1.720) 3.784 9.909 ( -0.736 -3.771 1.552) 4.144 10.077 ( -0.936 4.038 0.814) 4.225 10.166 ( -2.514 4.951 -0.190) 5.556 10.321 ( -0.388 2.117 -1.003) 2.374 10.484 ( -1.827 0.739 0.241) 1.985 10.510 ( -3.637 -1.151 -2.198) 4.403 10.570 ( 2.450 -4.369 0.616) 5.047 10.705 ( 0.694 -0.188 -0.686) 0.994 10.824 ( -1.197 -1.411 2.257) 2.918 10.839 ( 3.707 0.726 0.990) 3.905 10.913 ( 0.892 5.521 0.210) 5.597 11.045 ( 1.805 -2.819 -1.952) 3.875 11.124 ( -0.199 -3.722 2.928) 4.740 11.150 ( 1.350 -6.253 0.212) 6.401 11.201 ( -4.063 0.204 -0.255) 4.076 11.365 ( -1.906 -5.597 1.118) 6.017 11.480 ( -0.957 0.990 -4.673) 4.872 11.626 ( 11.080 -0.849 2.277) 11.343 11.692 ( -2.359 5.745 -2.677) 6.763 11.791 ( -0.640 -4.769 -0.606) 4.849 11.844 ( -1.892 -0.830 -0.153) 2.072 11.874 ( 9.821 2.455 -0.612) 10.141 12.009 ( -0.729 -0.001 -2.282) 2.396 12.166 ( -0.254 -3.112 0.450) 3.155 12.291 ( 1.574 4.441 -0.138) 4.714 12.416 ( -0.086 -4.462 -1.423) 4.684 12.505 ( -0.917 0.603 3.203) 3.386 12.528 ( 5.379 -1.847 1.198) 5.812 12.693 ( 2.355 -4.899 0.365) 5.448 12.723 ( 0.885 3.777 -2.117) 4.419 12.779 ( 3.724 -1.085 -0.756) 3.952 12.819 ( 0.925 -1.682 1.279) 2.306 12.951 ( -5.116 -2.932 -0.081) 5.897 13.076 ( -0.190 0.918 0.714) 1.179 13.245 ( 0.993 -5.818 -1.983) 6.227 13.335 ( 2.238 2.131 0.293) 3.104 13.357 ( 3.691 -4.826 -1.382) 6.231 13.408 ( 7.247 1.668 3.819) 8.360 13.631 ( -6.116 -2.995 -4.372) 8.093 13.760 ( 4.437 4.333 -0.142) 6.203 13.910 ( 6.171 1.344 -1.834) 6.577 14.109 ( 7.505 0.115 8.188) 11.108 14.268 ( -0.940 0.663 -3.350) 3.542 14.362 ( -0.433 3.308 1.510) 3.662 14.426 ( 5.295 -1.348 2.929) 6.200 14.582 ( 6.480 -5.914 2.341) 9.080 14.703 ( -0.271 3.182 0.113) 3.196 14.839 ( -5.092 -3.755 -3.525) 7.243 14.916 ( -12.489 1.955 -6.197) 14.078 15.071 ( 4.233 -1.863 -8.004) 9.244 15.160 ( -5.607 -1.201 6.265) 8.493 15.435 ( 0.517 -3.426 3.751) 5.106 15.506 ( -0.609 -0.636 -3.359) 3.472 15.548 ( 6.397 1.891 1.707) 6.886 15.686 ( 3.460 -2.520 3.639) 5.618 15.829 ( -6.551 3.835 -2.568) 8.014 15.888 ( -4.491 -0.071 -2.495) 5.138 16.209 ( -4.135 3.503 2.353) 5.908 16.690 ( 0.499 -5.076 2.168) 5.542 16.863 ( -1.294 1.637 0.428) 2.130 16.904 ( -5.832 -1.271 -1.014) 6.054 17.021 ( -1.726 3.061 0.524) 3.553 17.256 ( -3.229 2.458 -0.245) 4.065 17.286 ( -2.387 1.181 0.862) 2.799 17.361 ( -1.594 -1.961 -0.358) 2.552 21.270 ( 1.281 -0.354 0.027) 1.329 21.362 ( 2.723 -3.301 -1.163) 4.435 21.428 ( 1.329 -3.642 1.956) 4.342 21.494 ( 1.523 -7.023 -5.041) 8.778 22.042 ( 0.031 2.326 -0.724) 2.436 22.177 ( 0.804 -0.486 0.322) 0.993 22.496 ( 3.736 8.582 3.304) 9.926 22.631 ( -4.452 4.974 -4.069) 7.818 22.976 ( 0.805 7.277 0.866) 7.372 23.116 ( -0.761 5.384 -1.143) 5.556 23.201 ( 0.064 4.165 1.252) 4.349 23.230 ( -1.252 7.129 -2.298) 7.594 23.787 ( 9.736 -4.753 0.570) 10.849 23.968 ( 8.516 -7.537 1.884) 11.527 24.096 ( -7.322 -12.968 7.418) 16.638 24.244 ( -9.473 -9.586 -6.598) 15.005 24.435 ( 0.503 1.540 1.643) 2.308 24.496 ( -1.032 -2.209 -0.122) 2.441 24.624 ( -0.282 7.255 3.027) 7.866 24.963 ( 0.895 -3.849 -2.852) 4.873 24.983 ( -0.919 11.089 0.124) 11.128 25.426 ( 2.673 -3.158 3.520) 5.432 25.669 ( -4.932 8.026 3.005) 9.888 25.945 ( -10.564 -0.658 -3.378) 11.110 27.260 ( 1.506 0.152 -0.122) 1.519 27.307 ( 2.008 -0.947 0.391) 2.254 27.361 ( 1.755 -0.026 0.004) 1.756 27.471 ( 0.823 -2.686 -0.700) 2.895 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 25.640 0.000) 25.640 1.230 ( 0.000 28.706 0.000) 28.706 1.569 ( 0.000 -16.784 0.000) 16.784 1.735 ( 0.000 -20.506 0.000) 20.506 1.743 ( 0.000 0.107 0.000) 0.107 1.823 ( 0.000 -8.528 0.000) 8.528 2.139 ( 0.000 31.148 0.000) 31.148 2.220 ( 0.000 2.529 0.000) 2.529 2.319 ( 0.000 1.630 0.000) 1.630 2.322 ( 0.000 2.860 0.000) 2.860 2.334 ( 0.000 3.666 0.000) 3.666 2.466 ( 0.000 12.260 0.000) 12.260 2.547 ( 0.000 -4.872 0.000) 4.872 2.589 ( 0.000 0.679 0.000) 0.679 2.596 ( 0.000 -3.134 0.000) 3.134 2.631 ( 0.000 1.383 0.000) 1.383 2.642 ( 0.000 -5.595 0.000) 5.595 2.818 ( 0.000 6.074 0.000) 6.074 2.846 ( 0.000 -7.462 0.000) 7.462 3.145 ( 0.000 -16.235 0.000) 16.235 3.166 ( 0.000 9.881 0.000) 9.881 3.295 ( 0.000 -3.842 0.000) 3.842 3.302 ( 0.000 6.686 0.000) 6.686 3.336 ( 0.000 5.885 0.000) 5.885 3.389 ( 0.000 10.208 0.000) 10.208 3.410 ( 0.000 -4.365 0.000) 4.365 3.488 ( 0.000 -14.144 0.000) 14.144 3.494 ( 0.000 -2.783 0.000) 2.783 3.521 ( 0.000 -0.045 0.000) 0.045 3.635 ( 0.000 -5.950 0.000) 5.950 3.666 ( 0.000 0.296 0.000) 0.296 3.724 ( 0.000 0.229 0.000) 0.229 3.774 ( 0.000 -1.309 0.000) 1.309 3.841 ( 0.000 -7.107 0.000) 7.107 4.059 ( 0.000 5.331 0.000) 5.331 4.172 ( 0.000 -6.981 0.000) 6.981 4.292 ( 0.000 9.220 0.000) 9.220 4.444 ( 0.000 -4.539 0.000) 4.539 4.591 ( 0.000 4.512 0.000) 4.512 4.643 ( 0.000 -0.070 0.000) 0.070 4.726 ( 0.000 4.018 0.000) 4.018 4.818 ( 0.000 -4.630 0.000) 4.630 4.994 ( 0.000 3.112 0.000) 3.112 5.064 ( 0.000 -3.583 0.000) 3.583 5.207 ( 0.000 3.966 0.000) 3.966 5.215 ( 0.000 2.425 0.000) 2.425 5.260 ( 0.000 -1.269 0.000) 1.269 5.281 ( 0.000 -2.266 0.000) 2.266 5.444 ( 0.000 3.457 0.000) 3.457 5.529 ( 0.000 -3.198 0.000) 3.198 5.547 ( 0.000 2.918 0.000) 2.918 5.597 ( 0.000 -0.807 0.000) 0.807 5.825 ( 0.000 0.653 0.000) 0.653 5.873 ( 0.000 -4.571 0.000) 4.571 6.195 ( 0.000 3.168 0.000) 3.168 6.233 ( 0.000 -0.092 0.000) 0.092 6.273 ( 0.000 3.889 0.000) 3.889 6.371 ( 0.000 -5.368 0.000) 5.368 6.646 ( 0.000 -0.260 0.000) 0.260 6.649 ( 0.000 -0.469 0.000) 0.469 7.079 ( 0.000 1.937 0.000) 1.937 7.165 ( 0.000 -5.913 0.000) 5.913 7.208 ( 0.000 1.034 0.000) 1.034 7.250 ( 0.000 -1.479 0.000) 1.479 7.598 ( 0.000 4.191 0.000) 4.191 7.683 ( 0.000 8.449 0.000) 8.449 7.693 ( 0.000 -5.034 0.000) 5.034 7.822 ( 0.000 -6.188 0.000) 6.188 8.065 ( 0.000 12.095 0.000) 12.095 8.157 ( 0.000 2.175 0.000) 2.175 8.227 ( 0.000 -2.549 0.000) 2.549 8.292 ( 0.000 -6.238 0.000) 6.238 8.372 ( 0.000 7.354 0.000) 7.354 8.516 ( 0.000 -7.157 0.000) 7.157 8.541 ( 0.000 7.566 0.000) 7.566 8.667 ( 0.000 -4.430 0.000) 4.430 8.823 ( 0.000 2.651 0.000) 2.651 8.859 ( 0.000 -0.798 0.000) 0.798 9.132 ( 0.000 2.651 0.000) 2.651 9.226 ( 0.000 -6.440 0.000) 6.440 9.408 ( 0.000 1.016 0.000) 1.016 9.416 ( 0.000 0.129 0.000) 0.129 9.541 ( 0.000 4.561 0.000) 4.561 9.575 ( 0.000 0.663 0.000) 0.663 9.680 ( 0.000 0.090 0.000) 0.090 9.724 ( 0.000 -2.569 0.000) 2.569 9.770 ( 0.000 1.261 0.000) 1.261 9.865 ( 0.000 -5.386 0.000) 5.386 10.156 ( 0.000 1.384 0.000) 1.384 10.231 ( 0.000 -6.915 0.000) 6.915 10.253 ( 0.000 4.869 0.000) 4.869 10.373 ( 0.000 -5.660 0.000) 5.660 10.571 ( 0.000 12.153 0.000) 12.153 10.605 ( 0.000 6.493 0.000) 6.493 10.683 ( 0.000 3.273 0.000) 3.273 10.754 ( 0.000 -1.444 0.000) 1.444 10.870 ( 0.000 2.560 0.000) 2.560 10.992 ( 0.000 -10.582 0.000) 10.582 11.025 ( 0.000 -4.065 0.000) 4.065 11.098 ( 0.000 -7.940 0.000) 7.940 11.111 ( 0.000 1.315 0.000) 1.315 11.139 ( 0.000 -1.993 0.000) 1.993 11.286 ( 0.000 3.855 0.000) 3.855 11.407 ( 0.000 -3.985 0.000) 3.985 11.437 ( 0.000 -1.340 0.000) 1.340 11.526 ( 0.000 -1.200 0.000) 1.200 11.570 ( 0.000 4.238 0.000) 4.238 11.706 ( 0.000 -1.376 0.000) 1.376 11.840 ( 0.000 4.381 0.000) 4.381 11.914 ( 0.000 5.045 0.000) 5.045 11.961 ( 0.000 -6.281 0.000) 6.281 12.017 ( 0.000 -7.919 0.000) 7.919 12.216 ( 0.000 4.629 0.000) 4.629 12.287 ( 0.000 -0.245 0.000) 0.245 12.308 ( 0.000 2.017 0.000) 2.017 12.352 ( 0.000 1.114 0.000) 1.114 12.440 ( 0.000 5.120 0.000) 5.120 12.576 ( 0.000 -7.373 0.000) 7.373 12.654 ( 0.000 -1.031 0.000) 1.031 12.677 ( 0.000 -2.735 0.000) 2.735 12.903 ( 0.000 12.229 0.000) 12.229 13.131 ( 0.000 -8.218 0.000) 8.218 13.208 ( 0.000 7.212 0.000) 7.212 13.302 ( 0.000 -3.099 0.000) 3.099 13.312 ( 0.000 -1.456 0.000) 1.456 13.363 ( 0.000 -7.192 0.000) 7.192 13.530 ( 0.000 1.762 0.000) 1.762 13.535 ( 0.000 1.645 0.000) 1.645 13.912 ( 0.000 1.369 0.000) 1.369 13.951 ( 0.000 -3.050 0.000) 3.050 14.243 ( 0.000 5.053 0.000) 5.053 14.298 ( 0.000 -1.613 0.000) 1.613 14.653 ( 0.000 -3.896 0.000) 3.896 14.674 ( 0.000 -6.692 0.000) 6.692 14.772 ( 0.000 5.907 0.000) 5.907 14.885 ( 0.000 -5.085 0.000) 5.085 15.211 ( 0.000 4.560 0.000) 4.560 15.213 ( 0.000 1.328 0.000) 1.328 15.272 ( 0.000 3.802 0.000) 3.802 15.416 ( 0.000 -7.867 0.000) 7.867 15.965 ( 0.000 6.358 0.000) 6.358 16.020 ( 0.000 0.415 0.000) 0.415 16.130 ( 0.000 9.690 0.000) 9.690 16.208 ( 0.000 2.533 0.000) 2.533 16.315 ( 0.000 -0.260 0.000) 0.260 16.420 ( 0.000 -10.383 0.000) 10.383 17.026 ( 0.000 7.387 0.000) 7.387 17.178 ( 0.000 -7.320 0.000) 7.320 17.316 ( 0.000 2.201 0.000) 2.201 17.386 ( 0.000 -4.889 0.000) 4.889 17.674 ( 0.000 2.928 0.000) 2.928 17.708 ( 0.000 -0.808 0.000) 0.808 21.060 ( 0.000 4.355 0.000) 4.355 21.160 ( 0.000 -5.506 0.000) 5.506 21.209 ( 0.000 3.392 0.000) 3.392 21.292 ( 0.000 -4.770 0.000) 4.770 22.077 ( 0.000 0.293 0.000) 0.293 22.077 ( 0.000 0.296 0.000) 0.296 22.500 ( 0.000 8.392 0.000) 8.392 22.659 ( 0.000 -7.220 0.000) 7.220 23.025 ( 0.000 8.758 0.000) 8.758 23.203 ( 0.000 -8.674 0.000) 8.674 23.282 ( 0.000 4.984 0.000) 4.984 23.389 ( 0.000 -5.488 0.000) 5.488 23.424 ( 0.000 10.071 0.000) 10.071 23.612 ( 0.000 -8.161 0.000) 8.161 24.263 ( 0.000 3.724 0.000) 3.724 24.323 ( 0.000 -1.959 0.000) 1.959 24.579 ( 0.000 1.332 0.000) 1.332 24.663 ( 0.000 -7.175 0.000) 7.175 24.955 ( 0.000 3.153 0.000) 3.153 24.998 ( 0.000 -0.611 0.000) 0.611 25.214 ( 0.000 4.965 0.000) 4.965 25.340 ( 0.000 -7.305 0.000) 7.305 26.453 ( 0.000 16.647 0.000) 16.647 26.740 ( 0.000 -11.985 0.000) 11.985 27.089 ( 0.000 0.119 0.000) 0.119 27.092 ( 0.000 -0.147 0.000) 0.147 27.134 ( 0.000 1.039 0.000) 1.039 27.165 ( 0.000 -2.241 0.000) 2.241 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 12.583 21.851 2.088) 25.301 1.414 ( 13.222 19.487 3.061) 23.747 1.689 ( 8.655 -15.334 3.782) 18.009 1.706 ( 1.201 -5.909 -2.672) 6.595 1.826 ( 1.608 -2.647 3.010) 4.319 1.920 ( 9.887 -12.615 3.967) 16.512 2.182 ( 2.199 12.347 3.133) 12.927 2.229 ( -1.084 8.427 -1.664) 8.658 2.244 ( -2.496 -0.133 0.045) 2.500 2.340 ( 0.261 -0.125 0.348) 0.452 2.422 ( 3.675 3.505 0.966) 5.169 2.509 ( 6.843 15.316 -1.638) 16.855 2.552 ( -0.024 -5.072 0.232) 5.077 2.576 ( 2.091 3.107 -0.918) 3.856 2.645 ( 3.466 -0.005 -3.182) 4.705 2.685 ( 6.310 -0.407 0.572) 6.349 2.743 ( 6.765 -3.454 4.829) 9.001 2.837 ( -0.269 -3.399 2.971) 4.522 2.898 ( 6.673 1.484 1.683) 7.040 3.098 ( -4.920 7.051 -3.792) 9.396 3.117 ( -2.474 -3.625 -3.616) 5.687 3.262 ( -2.620 -7.055 -0.628) 7.552 3.270 ( -3.431 1.466 -2.457) 4.468 3.341 ( -2.145 -3.020 -5.225) 6.405 3.382 ( -2.226 2.717 3.509) 4.965 3.385 ( 4.818 6.005 0.387) 7.709 3.464 ( -0.309 -1.600 5.106) 5.359 3.496 ( -0.695 -5.907 2.142) 6.321 3.590 ( 5.727 -0.036 -1.077) 5.827 3.605 ( -1.194 1.398 -2.134) 2.816 3.697 ( 2.251 -0.985 0.626) 2.536 3.707 ( -1.398 -6.941 -1.955) 7.345 3.821 ( 6.015 0.092 0.114) 6.017 3.913 ( 4.521 -7.485 -0.451) 8.756 4.080 ( 1.023 5.414 1.128) 5.624 4.188 ( 0.439 -5.442 0.346) 5.470 4.312 ( 1.918 7.702 -2.436) 8.303 4.450 ( -0.885 -4.259 -1.054) 4.476 4.633 ( 0.767 3.577 1.346) 3.898 4.654 ( -2.924 3.070 0.760) 4.307 4.686 ( -2.254 0.734 0.603) 2.446 4.773 ( -3.938 -5.687 0.387) 6.928 4.937 ( -5.019 4.637 -1.636) 7.026 5.027 ( -2.726 -3.701 -1.571) 4.858 5.169 ( -4.057 1.338 2.165) 4.789 5.201 ( -3.787 0.853 0.589) 3.927 5.265 ( 1.634 -0.644 -0.591) 1.853 5.297 ( 1.234 -1.577 -1.743) 2.655 5.454 ( 0.123 4.852 -0.150) 4.856 5.528 ( -1.174 3.776 3.627) 5.365 5.552 ( 1.053 -3.185 -2.311) 4.073 5.599 ( 1.046 -1.948 4.037) 4.604 5.925 ( 7.330 -0.947 1.810) 7.609 5.941 ( 8.687 -2.393 -1.078) 9.075 6.157 ( -3.373 4.528 1.968) 5.979 6.218 ( -2.653 -1.426 4.046) 5.044 6.308 ( 3.537 3.352 -2.746) 5.594 6.398 ( 2.897 -4.788 -1.755) 5.865 6.588 ( -3.094 1.498 -2.049) 4.002 6.647 ( -0.951 -3.156 -2.201) 3.963 6.973 ( -5.125 1.204 -5.593) 7.681 7.035 ( -6.326 -4.924 -3.365) 8.694 7.153 ( -5.694 2.787 1.796) 6.589 7.202 ( -7.451 -1.954 0.853) 7.750 7.617 ( -1.848 4.446 8.212) 9.519 7.647 ( 3.651 1.204 2.400) 4.532 7.795 ( 4.609 0.480 -6.687) 8.136 7.841 ( -1.349 -2.266 2.207) 3.439 8.077 ( -1.709 8.596 -1.857) 8.959 8.184 ( 2.971 1.029 -3.143) 4.446 8.188 ( -3.266 -0.067 -3.525) 4.806 8.274 ( 2.051 -0.438 -0.424) 2.140 8.460 ( 1.853 2.545 -0.395) 3.173 8.480 ( 3.527 2.616 -0.598) 4.432 8.554 ( -9.197 0.671 1.505) 9.344 8.585 ( -2.003 -2.309 0.411) 3.084 8.715 ( -1.541 2.552 0.157) 2.985 8.796 ( -6.393 -1.588 -0.892) 6.648 9.083 ( -1.449 2.070 -7.716) 8.119 9.162 ( -2.031 -4.035 -6.750) 8.122 9.266 ( -9.733 4.504 4.908) 11.794 9.326 ( -7.625 -2.247 5.020) 9.401 9.490 ( -3.563 2.815 -0.503) 4.568 9.555 ( 0.120 2.639 0.053) 2.642 9.676 ( -6.201 -5.686 1.076) 8.481 9.702 ( 0.197 -2.762 4.689) 5.446 9.836 ( 1.968 3.868 8.553) 9.591 9.916 ( 0.838 -2.997 7.681) 8.288 10.234 ( 5.013 3.181 1.849) 6.218 10.292 ( 4.468 0.903 -2.970) 5.440 10.328 ( 1.688 2.115 -5.887) 6.480 10.382 ( 0.584 -2.689 0.005) 2.752 10.528 ( 4.208 0.963 -4.389) 6.156 10.609 ( 1.702 -4.242 -3.815) 5.953 10.658 ( -0.170 6.962 4.078) 8.070 10.799 ( -4.747 4.563 0.019) 6.585 10.819 ( -0.762 -4.103 1.909) 4.589 10.915 ( 0.001 -2.744 0.446) 2.780 11.001 ( -2.389 -1.000 0.543) 2.646 11.072 ( -4.117 -4.361 0.411) 6.011 11.178 ( 2.118 -1.461 -5.707) 6.260 11.233 ( -2.309 -3.952 -6.985) 8.351 11.300 ( 2.229 -0.030 2.316) 3.214 11.315 ( 1.595 0.278 2.149) 2.690 11.474 ( 6.774 1.869 -1.249) 7.137 11.567 ( 2.346 -5.450 -2.339) 6.378 11.699 ( 5.297 1.819 -3.141) 6.421 11.775 ( -1.044 0.131 0.609) 1.216 11.785 ( 7.141 0.805 -1.355) 7.313 11.881 ( 5.969 -2.971 0.171) 6.670 12.010 ( 1.328 3.954 -1.405) 4.401 12.144 ( 5.446 -8.136 3.333) 10.342 12.247 ( -1.324 4.207 -5.358) 6.940 12.311 ( 6.085 0.626 -3.000) 6.813 12.364 ( 0.241 -0.827 0.491) 0.991 12.409 ( 7.022 -3.477 -4.021) 8.807 12.670 ( 9.506 1.667 7.893) 12.467 12.687 ( 5.844 2.569 3.036) 7.070 12.720 ( 17.451 -3.685 9.345) 20.136 12.782 ( 7.195 -4.475 -0.038) 8.473 12.917 ( 0.970 8.901 0.113) 8.954 13.121 ( -1.331 -9.163 -2.716) 9.650 13.155 ( -3.326 6.583 -2.536) 7.799 13.263 ( -0.410 -3.386 -6.297) 7.161 13.365 ( 2.172 -1.263 -2.979) 3.897 13.372 ( 5.368 -1.061 -0.373) 5.485 13.528 ( 3.438 -1.185 0.433) 3.662 13.537 ( 1.288 -1.542 -2.433) 3.155 13.975 ( 3.936 6.077 0.397) 7.251 14.087 ( 7.113 -3.566 8.358) 11.541 14.199 ( -1.860 3.447 0.978) 4.037 14.319 ( 0.158 -7.712 2.793) 8.204 14.558 ( -2.883 4.453 0.601) 5.339 14.722 ( -1.483 -7.392 -0.347) 7.547 14.849 ( 6.045 2.772 1.599) 6.840 14.934 ( 4.368 -2.933 1.117) 5.378 15.155 ( -3.039 4.899 -0.853) 5.828 15.228 ( -0.121 -3.005 -1.845) 3.528 15.285 ( 3.101 4.137 -3.583) 6.290 15.399 ( -0.864 -6.654 -0.682) 6.744 15.852 ( -8.652 3.775 -4.847) 10.611 15.893 ( -9.762 -0.250 -4.144) 10.608 16.097 ( -1.538 9.390 -2.327) 9.796 16.184 ( -2.910 0.649 0.439) 3.013 16.349 ( -0.886 2.679 9.017) 9.448 16.480 ( 0.691 -9.040 10.468) 13.848 17.005 ( -2.310 5.753 0.905) 6.265 17.123 ( -5.190 -6.001 0.164) 7.935 17.261 ( -4.694 3.370 -0.028) 5.779 17.354 ( -2.646 -5.640 -0.827) 6.285 17.598 ( -6.787 2.585 -0.071) 7.263 17.621 ( -7.367 0.109 -1.152) 7.457 21.118 ( 4.908 2.198 -0.565) 5.407 21.187 ( 1.962 -3.630 1.419) 4.363 21.240 ( 3.504 1.906 -2.121) 4.518 21.315 ( 3.057 -4.955 -2.955) 6.529 22.080 ( 0.895 1.199 -1.095) 1.854 22.097 ( 1.477 -0.486 0.023) 1.555 22.517 ( 1.217 8.356 1.420) 8.563 22.671 ( 0.753 -6.725 0.851) 6.820 23.068 ( 2.815 9.162 3.370) 10.160 23.237 ( 2.716 -5.436 -1.422) 6.241 23.289 ( 0.168 3.641 1.433) 3.917 23.372 ( -0.519 0.912 -0.193) 1.067 23.461 ( 2.838 1.091 0.736) 3.128 23.593 ( -1.061 -6.580 -1.695) 6.878 24.248 ( -1.450 4.784 -2.042) 5.400 24.334 ( 0.646 -3.403 -0.373) 3.483 24.564 ( -1.715 1.319 -0.668) 2.264 24.616 ( -4.286 -3.126 -3.640) 6.434 24.807 ( -8.373 6.775 -2.350) 11.024 24.936 ( -4.532 -5.386 -5.518) 8.944 25.175 ( -4.323 4.637 6.694) 9.220 25.281 ( -5.231 -6.112 5.777) 9.904 26.348 ( -10.755 14.300 2.261) 18.035 26.562 ( -14.540 -6.326 0.567) 15.867 27.137 ( 3.791 0.249 0.327) 3.813 27.144 ( 3.078 -0.182 0.134) 3.087 27.192 ( 5.323 0.469 -0.441) 5.362 27.237 ( 6.371 -4.429 -1.052) 7.830 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 14.814 14.293 2.935) 20.794 1.712 ( 11.614 7.041 4.037) 14.169 1.757 ( 7.386 -0.755 -1.864) 7.655 1.887 ( 6.213 -6.767 7.693) 11.982 1.925 ( 6.511 -0.676 0.885) 6.606 2.073 ( -2.673 -1.543 1.111) 3.280 2.099 ( -0.734 -5.451 -2.150) 5.905 2.131 ( -5.011 -0.842 -2.367) 5.605 2.324 ( 4.407 -1.751 -0.843) 4.817 2.345 ( 0.127 -4.263 -2.641) 5.016 2.477 ( 1.930 4.650 1.552) 5.269 2.565 ( -0.326 -3.499 1.107) 3.684 2.622 ( 4.288 3.051 -5.907) 7.911 2.659 ( 5.798 2.615 -3.477) 7.248 2.696 ( 2.575 4.827 0.478) 5.492 2.823 ( -0.935 -2.907 -0.344) 3.073 2.843 ( -1.768 2.099 -0.727) 2.839 2.930 ( 3.174 -4.145 1.131) 5.342 2.972 ( 2.934 4.275 3.878) 6.475 3.040 ( -0.448 -0.374 0.467) 0.748 3.110 ( 2.641 4.809 1.981) 5.833 3.190 ( 8.211 1.834 -0.631) 8.437 3.231 ( 1.150 -0.349 3.266) 3.481 3.339 ( 2.841 -0.104 -1.383) 3.161 3.385 ( 0.099 0.841 5.171) 5.240 3.421 ( -1.573 0.690 -3.847) 4.213 3.513 ( 1.789 0.354 0.063) 1.824 3.533 ( 4.097 0.444 0.332) 4.134 3.606 ( 1.896 1.837 0.359) 2.664 3.700 ( 4.564 -0.813 -2.207) 5.135 3.727 ( 4.595 -1.810 -0.877) 5.016 3.747 ( 3.152 -2.103 0.434) 3.814 3.947 ( 6.193 0.502 -0.675) 6.250 3.999 ( 4.091 -2.824 0.391) 4.986 4.102 ( 0.055 0.939 2.132) 2.330 4.166 ( -2.320 -4.150 -1.530) 4.995 4.317 ( -0.409 3.793 -2.797) 4.730 4.385 ( -2.768 -1.396 -3.308) 4.534 4.537 ( -7.622 4.422 -0.121) 8.812 4.606 ( -5.705 1.042 -0.275) 5.806 4.607 ( -3.809 1.048 2.163) 4.504 4.671 ( -4.621 -6.096 0.252) 7.654 4.796 ( -7.333 7.237 -0.440) 10.312 4.940 ( -5.452 -4.746 -0.771) 7.270 5.066 ( -5.502 0.178 -1.942) 5.837 5.110 ( -5.181 -2.571 0.653) 5.820 5.278 ( 1.470 1.516 -1.431) 2.551 5.314 ( 0.384 -1.987 -1.819) 2.721 5.397 ( -3.819 4.675 1.527) 6.226 5.494 ( -4.067 -3.863 -0.300) 5.617 5.595 ( 1.131 4.287 5.642) 7.175 5.656 ( -1.510 -1.329 5.164) 5.542 6.049 ( 6.003 4.012 -4.306) 8.406 6.096 ( 1.929 0.753 -1.510) 2.563 6.197 ( 7.724 0.930 2.854) 8.286 6.234 ( 0.875 -2.111 7.041) 7.403 6.354 ( 2.437 2.453 -3.280) 4.766 6.431 ( 1.580 -4.250 -4.228) 6.200 6.521 ( -0.891 1.808 -3.249) 3.823 6.592 ( -2.446 -4.186 -3.309) 5.870 6.894 ( 0.368 1.348 -4.810) 5.009 6.928 ( -2.948 -1.697 -2.560) 4.257 7.068 ( -1.915 1.475 2.308) 3.342 7.086 ( -1.868 -0.224 2.384) 3.037 7.644 ( -2.205 9.412 6.687) 11.755 7.700 ( -5.392 6.549 -4.570) 9.636 7.776 ( 2.312 -1.328 3.416) 4.333 7.797 ( -2.909 -2.437 -2.557) 4.576 7.970 ( -3.659 3.651 -1.311) 5.333 8.047 ( -2.433 -5.043 -5.009) 7.513 8.278 ( -2.075 5.222 0.396) 5.633 8.300 ( 1.808 2.974 1.983) 4.006 8.418 ( 3.242 6.932 -0.096) 7.653 8.474 ( -7.583 3.034 -0.481) 8.181 8.528 ( 5.442 -3.855 -1.354) 6.805 8.602 ( -2.056 -7.525 4.505) 9.008 8.717 ( 3.108 2.664 3.391) 5.315 8.783 ( 4.711 -3.472 2.667) 6.431 9.016 ( -2.251 1.279 -6.534) 7.028 9.048 ( -5.585 -2.495 -4.398) 7.534 9.189 ( 0.734 0.668 -3.487) 3.625 9.219 ( -2.235 -3.037 0.176) 3.775 9.413 ( -5.572 1.566 5.889) 8.257 9.527 ( -5.962 -8.507 3.031) 10.822 9.596 ( 1.227 8.112 -3.065) 8.759 9.725 ( -0.329 -3.489 1.624) 3.863 9.887 ( -2.389 1.814 2.488) 3.897 9.918 ( -3.455 -0.335 3.045) 4.618 10.201 ( -5.185 5.236 -1.089) 7.449 10.304 ( -2.573 -0.946 -2.406) 3.647 10.337 ( 1.959 3.208 4.659) 5.986 10.426 ( 1.163 -4.799 2.820) 5.687 10.591 ( 1.485 3.640 -1.146) 4.095 10.631 ( -4.576 3.221 0.981) 5.681 10.686 ( 3.866 1.316 -1.306) 4.288 10.736 ( -0.501 -3.162 -2.127) 3.843 10.864 ( 3.008 -1.017 2.813) 4.242 10.885 ( -3.112 -5.465 4.243) 7.586 10.956 ( -0.763 1.326 -0.517) 1.615 10.980 ( -0.579 -2.969 -0.028) 3.025 11.132 ( -0.994 -1.367 -6.844) 7.049 11.161 ( -0.062 -3.997 -4.484) 6.007 11.413 ( 7.676 3.064 2.839) 8.739 11.453 ( 5.752 -0.736 -2.170) 6.191 11.539 ( -1.433 -0.847 -6.130) 6.352 11.569 ( 1.034 -4.518 -4.985) 6.807 11.750 ( 5.785 1.094 1.347) 6.040 11.788 ( 4.604 1.392 -2.609) 5.472 11.915 ( -0.006 5.938 -1.013) 6.024 11.982 ( 6.785 -3.698 1.549) 7.881 12.125 ( -3.599 3.293 -3.162) 5.814 12.167 ( 8.824 -2.099 3.171) 9.609 12.290 ( 5.055 -1.147 3.112) 6.046 12.378 ( 1.899 -7.821 -3.507) 8.779 12.481 ( 6.012 0.146 3.368) 6.893 12.501 ( 6.922 -2.234 -0.636) 7.301 12.754 ( 2.338 5.202 2.202) 6.114 12.814 ( 0.086 4.132 -2.341) 4.750 12.879 ( -1.917 1.376 3.906) 4.563 12.977 ( -0.781 -3.298 -2.024) 3.948 13.010 ( 0.368 0.659 0.352) 0.833 13.112 ( 5.496 -5.314 -0.905) 7.698 13.166 ( 9.440 -0.394 2.180) 9.696 13.197 ( 2.957 -4.509 -1.416) 5.575 13.418 ( 2.240 5.747 -3.847) 7.270 13.541 ( 3.572 -6.384 0.019) 7.315 13.641 ( 14.855 2.175 -0.978) 15.045 13.700 ( 13.410 -3.855 -1.741) 14.062 14.021 ( 2.894 7.432 -1.693) 8.153 14.148 ( 0.825 -2.956 -0.500) 3.109 14.310 ( 5.170 -1.283 5.936) 7.976 14.359 ( 1.240 -5.118 2.256) 5.729 14.540 ( -1.470 5.865 3.948) 7.221 14.679 ( -0.033 -5.806 -2.967) 6.521 14.943 ( 1.458 4.127 0.530) 4.409 15.043 ( 3.397 -3.927 4.256) 6.714 15.077 ( -3.274 4.880 -3.373) 6.776 15.186 ( -4.194 -6.023 -4.262) 8.487 15.353 ( 5.429 0.816 -1.965) 5.831 15.404 ( 2.774 -3.314 -0.112) 4.324 15.624 ( -9.497 2.075 -0.830) 9.756 15.654 ( -9.983 -0.891 0.040) 10.023 16.027 ( -4.501 5.455 -1.891) 7.321 16.080 ( -7.476 -0.204 -1.183) 7.571 16.364 ( -2.564 6.912 6.434) 9.785 16.536 ( -0.975 -8.777 7.060) 11.306 16.949 ( -3.861 2.341 1.796) 4.859 16.997 ( -6.695 -3.000 0.634) 7.364 17.165 ( -3.952 5.379 -0.292) 6.681 17.285 ( -3.117 -5.976 -1.059) 6.823 17.441 ( -7.885 1.613 -0.034) 8.049 17.448 ( -7.486 1.127 -0.945) 7.629 21.214 ( 4.450 0.448 -0.580) 4.510 21.246 ( 3.067 -1.538 0.590) 3.481 21.308 ( 3.878 -0.372 -1.524) 4.183 21.361 ( 3.174 -4.815 -3.847) 6.932 22.092 ( 0.917 2.266 -1.330) 2.782 22.129 ( 1.629 -1.383 -0.401) 2.174 22.567 ( 2.208 7.658 2.897) 8.480 22.692 ( 0.356 -4.624 1.197) 4.790 23.156 ( 2.704 10.330 3.548) 11.252 23.242 ( -0.126 5.051 -4.186) 6.561 23.296 ( -0.214 2.730 1.280) 3.023 23.383 ( 0.557 -3.377 -2.965) 4.528 23.539 ( 3.541 -1.138 4.488) 5.829 23.603 ( 5.141 -6.854 -0.904) 8.615 24.134 ( -8.369 4.330 -2.860) 9.848 24.282 ( -5.908 -8.287 -6.500) 12.076 24.483 ( -3.211 2.461 0.437) 4.069 24.514 ( -3.632 -0.964 0.465) 3.786 24.725 ( -1.203 4.702 3.544) 6.009 24.839 ( -0.639 -6.841 -1.258) 6.985 25.157 ( -0.432 6.156 3.717) 7.205 25.263 ( 0.492 -4.854 4.207) 6.443 26.083 ( -15.472 10.538 1.844) 18.810 26.231 ( -17.153 -4.051 -0.983) 17.653 27.213 ( 3.480 0.464 0.022) 3.510 27.223 ( 3.922 -0.517 0.448) 3.981 27.300 ( 4.978 1.053 -0.333) 5.099 27.350 ( 4.827 -4.046 -0.930) 6.367 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 4.515 2.320 3.615) 6.232 1.854 ( 3.870 -0.678 1.238) 4.120 1.929 ( -0.111 2.376 -0.535) 2.438 1.989 ( 0.500 -0.653 -1.807) 1.985 2.003 ( 0.147 -1.911 -1.434) 2.394 2.026 ( 0.819 -0.223 -3.135) 3.248 2.080 ( 9.335 4.897 6.301) 12.282 2.215 ( 6.288 -5.949 3.378) 9.292 2.297 ( -1.736 0.863 -1.843) 2.675 2.376 ( 0.787 -6.206 -2.063) 6.587 2.500 ( -5.039 -0.004 -0.093) 5.040 2.524 ( -1.072 -1.457 -0.231) 1.823 2.614 ( -0.387 4.689 -5.240) 7.043 2.664 ( -2.668 -0.578 -0.383) 2.756 2.739 ( 0.492 2.324 0.586) 2.447 2.750 ( 1.715 -0.600 -4.326) 4.692 2.780 ( -0.795 0.772 -0.347) 1.161 2.890 ( -2.017 -7.892 -0.884) 8.194 3.008 ( -2.597 2.737 0.164) 3.777 3.043 ( 0.238 -0.553 2.996) 3.055 3.244 ( -2.499 4.488 -0.258) 5.144 3.285 ( 4.967 0.376 6.887) 8.499 3.386 ( 5.289 1.149 -1.586) 5.640 3.415 ( 9.170 -1.852 0.515) 9.369 3.463 ( 1.648 3.780 1.909) 4.544 3.485 ( 4.419 4.026 -1.308) 6.119 3.540 ( 2.601 -1.919 0.396) 3.256 3.594 ( 2.116 -3.915 0.816) 4.524 3.638 ( -1.062 1.902 -0.963) 2.382 3.692 ( -2.798 -3.479 -1.977) 4.883 3.809 ( 5.906 4.644 1.190) 7.607 3.880 ( 4.759 0.875 0.882) 4.918 4.010 ( 1.337 4.017 -0.391) 4.252 4.046 ( -3.873 0.890 0.417) 3.996 4.069 ( -0.044 2.001 -1.050) 2.260 4.141 ( 0.026 -4.837 -1.983) 5.227 4.295 ( -0.079 1.895 1.646) 2.511 4.345 ( -0.385 -0.481 0.542) 0.821 4.410 ( -3.028 7.389 -2.787) 8.458 4.502 ( -2.562 1.772 -0.507) 3.155 4.533 ( -0.024 -2.898 0.330) 2.917 4.647 ( -1.216 0.811 -1.158) 1.865 4.668 ( -4.785 0.798 2.315) 5.375 4.795 ( -6.872 -1.206 0.199) 6.979 4.969 ( -2.218 -1.874 -1.385) 3.217 5.030 ( -2.027 -4.227 -0.689) 4.738 5.255 ( -2.205 3.348 -2.539) 4.746 5.319 ( 2.617 -1.628 -0.303) 3.097 5.376 ( -0.546 0.040 1.001) 1.141 5.403 ( -4.298 -3.063 0.168) 5.281 5.603 ( -1.854 2.717 2.509) 4.137 5.637 ( -1.300 -0.540 3.389) 3.670 6.124 ( 2.103 5.690 -0.425) 6.081 6.172 ( 7.589 1.019 -3.529) 8.431 6.257 ( -1.963 1.139 3.686) 4.329 6.317 ( 2.546 -2.049 1.988) 3.825 6.341 ( -2.286 1.003 -0.637) 2.577 6.390 ( -2.793 -3.923 -3.871) 6.179 6.494 ( -1.080 2.506 -0.925) 2.881 6.535 ( -0.713 -1.668 -1.297) 2.230 6.901 ( 1.921 0.556 -1.515) 2.509 6.908 ( 1.321 0.435 -0.953) 1.686 7.088 ( 0.520 6.142 0.215) 6.168 7.133 ( 3.201 1.231 0.488) 3.464 7.562 ( -1.238 6.540 -0.227) 6.660 7.636 ( -2.445 4.712 -1.250) 5.453 7.672 ( -4.488 2.059 -1.818) 5.262 7.799 ( -1.978 -5.473 1.826) 6.099 8.006 ( 4.837 3.375 2.100) 6.260 8.069 ( 1.856 -1.577 1.400) 2.809 8.221 ( -2.184 4.771 0.346) 5.258 8.272 ( -2.496 2.693 -1.008) 3.808 8.334 ( -2.372 -1.589 -0.578) 2.913 8.470 ( -5.599 -10.298 -1.296) 11.793 8.614 ( 8.966 3.318 5.436) 10.998 8.702 ( 5.786 -2.659 3.568) 7.299 8.843 ( 2.845 1.826 1.030) 3.534 8.852 ( -3.668 0.646 -2.771) 4.642 8.877 ( 0.154 -0.802 -0.837) 1.169 8.935 ( -4.554 -6.455 -3.045) 8.466 9.213 ( 4.675 2.895 -4.579) 7.156 9.247 ( 2.123 -0.275 0.208) 2.151 9.340 ( -4.671 0.600 4.264) 6.353 9.438 ( -3.902 -7.960 2.749) 9.281 9.616 ( 2.476 6.899 -2.887) 7.878 9.685 ( -3.643 2.622 -1.291) 4.670 9.823 ( -1.818 -2.261 -0.036) 2.901 9.854 ( -2.623 -1.029 -0.754) 2.917 10.133 ( -1.806 3.463 0.720) 3.972 10.249 ( -1.051 -5.250 0.617) 5.390 10.334 ( -2.531 6.983 -0.571) 7.450 10.442 ( -0.812 -3.019 0.502) 3.166 10.551 ( -2.243 3.426 0.578) 4.136 10.580 ( -1.650 2.996 2.057) 3.991 10.711 ( 1.055 -0.436 -0.885) 1.445 10.756 ( 1.307 -4.132 4.524) 6.265 10.866 ( -0.304 2.541 -3.702) 4.500 10.960 ( 3.728 -5.622 -0.335) 6.754 10.990 ( 1.293 -0.901 2.455) 2.917 11.012 ( 2.099 -2.656 3.749) 5.051 11.084 ( -0.518 1.364 -3.162) 3.483 11.159 ( 1.215 -4.529 -0.963) 4.787 11.354 ( -5.560 3.923 -5.361) 8.662 11.448 ( -2.866 -4.176 -4.579) 6.828 11.612 ( 8.209 -0.252 0.822) 8.254 11.643 ( 4.833 -4.004 -0.173) 6.279 11.838 ( -2.902 5.436 0.148) 6.164 11.876 ( 0.798 1.942 1.768) 2.745 11.944 ( 7.133 1.750 -0.613) 7.370 11.989 ( -1.567 -2.797 -2.068) 3.815 12.118 ( -0.264 2.968 1.000) 3.143 12.271 ( 1.263 -8.928 -1.332) 9.114 12.397 ( 4.971 4.517 2.300) 7.099 12.475 ( 6.244 -3.292 2.482) 7.483 12.529 ( -2.816 1.879 1.125) 3.568 12.590 ( 0.202 -4.294 -0.104) 4.300 12.786 ( 0.682 2.078 -3.610) 4.221 12.818 ( 0.986 3.218 2.309) 4.081 12.836 ( -1.774 2.740 2.106) 3.884 12.874 ( -2.427 -2.601 -4.762) 5.944 13.022 ( -0.466 -3.650 2.311) 4.345 13.085 ( -0.755 -8.638 -1.759) 8.848 13.346 ( 4.453 2.329 1.180) 5.162 13.382 ( 2.613 0.076 -0.643) 2.692 13.449 ( 5.897 4.047 2.268) 7.503 13.550 ( -1.189 -5.077 -1.120) 5.334 13.853 ( 4.761 4.276 -2.523) 6.879 13.910 ( 5.364 -1.428 -1.999) 5.899 14.161 ( 8.095 5.665 4.025) 10.669 14.273 ( 7.535 -1.862 -1.818) 7.972 14.341 ( 2.960 -1.456 1.487) 3.618 14.394 ( -0.156 -7.801 0.299) 7.808 14.537 ( -0.253 7.987 1.997) 8.237 14.699 ( 1.970 -7.289 -0.967) 7.612 14.858 ( -7.477 5.743 -1.032) 9.484 14.929 ( -13.695 -1.359 -4.297) 14.418 15.023 ( 0.019 1.512 -2.205) 2.674 15.114 ( 0.666 -5.472 2.378) 6.003 15.437 ( 2.228 3.849 -0.549) 4.481 15.515 ( 0.815 -1.406 -2.810) 3.247 15.550 ( 6.120 0.173 3.886) 7.251 15.598 ( 2.212 -4.239 7.137) 8.590 15.883 ( -8.565 0.921 -3.554) 9.318 15.886 ( -7.067 0.229 -2.912) 7.647 16.346 ( -1.413 9.585 2.113) 9.916 16.543 ( -0.770 -9.421 2.073) 9.677 16.888 ( -2.387 0.882 0.300) 2.562 16.898 ( -2.752 0.019 0.937) 2.908 17.113 ( -1.118 6.028 -0.162) 6.133 17.235 ( -1.201 -5.408 -0.151) 5.542 17.315 ( -3.456 2.387 -0.403) 4.220 17.343 ( -2.663 -0.415 0.046) 2.696 21.274 ( 1.538 1.018 -0.104) 1.847 21.309 ( 2.355 -2.144 -0.042) 3.185 21.360 ( 1.447 -1.872 0.106) 2.369 21.381 ( 0.792 -3.787 -2.323) 4.513 22.097 ( 0.306 3.034 -0.630) 3.114 22.151 ( 0.664 -2.151 -0.275) 2.268 22.635 ( 2.376 4.972 2.861) 6.209 22.687 ( -1.264 -0.045 -0.568) 1.387 23.173 ( -0.810 10.911 -0.807) 10.971 23.243 ( 1.161 5.732 -0.184) 5.851 23.304 ( 0.297 4.341 0.735) 4.413 23.341 ( -1.450 0.722 -2.052) 2.614 23.692 ( 8.888 -2.542 0.856) 9.284 23.771 ( 8.888 -10.221 5.424) 14.591 23.927 ( -9.667 -1.414 -0.742) 9.798 24.035 ( -11.351 -10.000 -7.887) 17.060 24.461 ( -0.442 0.973 1.140) 1.563 24.475 ( -1.015 -0.582 0.428) 1.246 24.753 ( 0.807 5.690 2.253) 6.173 24.857 ( 0.950 -5.166 0.630) 5.290 25.204 ( 2.747 9.386 0.569) 9.796 25.348 ( 4.430 -5.287 2.058) 7.198 25.818 ( -9.198 6.421 0.866) 11.251 25.912 ( -11.090 -3.073 -1.775) 11.644 27.267 ( 1.517 0.661 -0.010) 1.654 27.285 ( 1.681 -1.130 0.175) 2.033 27.370 ( 1.898 1.169 -0.106) 2.232 27.411 ( 1.622 -2.874 -0.338) 3.317 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -1.817 0.000 28.152) 28.210 0.571 ( 2.761 0.000 29.131) 29.262 0.944 ( 7.712 0.000 43.746) 44.421 1.768 ( 5.953 0.000 -10.293) 11.891 1.943 ( -2.673 0.000 -6.843) 7.347 1.976 ( -1.192 0.000 -3.653) 3.842 2.078 ( -0.259 0.000 2.262) 2.277 2.233 ( -2.423 0.000 -1.640) 2.926 2.240 ( 3.012 0.000 -3.915) 4.940 2.304 ( -3.423 0.000 3.470) 4.874 2.306 ( 2.528 0.000 -1.344) 2.863 2.493 ( 0.847 0.000 0.329) 0.908 2.541 ( -2.825 0.000 -1.672) 3.283 2.546 ( 0.381 0.000 -0.683) 0.782 2.611 ( -1.146 0.000 -0.034) 1.146 2.655 ( 1.046 0.000 1.649) 1.953 2.755 ( -0.232 0.000 -1.520) 1.538 2.954 ( -2.600 0.000 0.856) 2.737 3.014 ( 1.406 0.000 -1.106) 1.789 3.057 ( -0.631 0.000 -0.452) 0.776 3.074 ( 0.499 0.000 -1.534) 1.613 3.110 ( 3.689 0.000 12.755) 13.278 3.200 ( 1.661 0.000 -1.439) 2.198 3.211 ( 1.473 0.000 3.594) 3.884 3.286 ( 2.778 0.000 0.895) 2.918 3.318 ( -2.703 0.000 -3.065) 4.087 3.509 ( -4.039 0.000 -3.883) 5.603 3.631 ( -2.414 0.000 1.385) 2.783 3.638 ( 5.391 0.000 1.366) 5.562 3.672 ( 4.022 0.000 -5.427) 6.755 3.702 ( 0.875 0.000 0.670) 1.102 3.774 ( -3.649 0.000 -1.836) 4.085 3.844 ( -7.049 0.000 -0.297) 7.055 3.969 ( -1.180 0.000 -10.790) 10.854 4.126 ( -8.299 0.000 2.551) 8.682 4.290 ( 0.286 0.000 1.218) 1.251 4.393 ( -2.095 0.000 0.587) 2.176 4.448 ( 1.472 0.000 0.121) 1.477 4.600 ( 7.002 0.000 5.731) 9.048 4.633 ( 1.076 0.000 5.796) 5.895 4.758 ( 1.656 0.000 -3.359) 3.745 4.780 ( 1.730 0.000 -4.945) 5.239 4.937 ( 0.256 0.000 0.169) 0.306 5.030 ( -2.082 0.000 -1.934) 2.842 5.090 ( 1.884 0.000 -4.747) 5.107 5.139 ( 1.852 0.000 -2.625) 3.212 5.257 ( -4.965 0.000 5.824) 7.653 5.268 ( 0.267 0.000 3.704) 3.714 5.399 ( -0.007 0.000 -3.382) 3.382 5.475 ( -2.116 0.000 -6.940) 7.255 5.559 ( 4.450 0.000 0.730) 4.510 5.579 ( 1.015 0.000 -0.161) 1.027 5.840 ( 2.750 0.000 1.598) 3.181 6.012 ( 1.603 0.000 -3.557) 3.902 6.158 ( -1.991 0.000 4.500) 4.921 6.163 ( 4.608 0.000 0.182) 4.612 6.335 ( -0.293 0.000 6.324) 6.331 6.552 ( 1.453 0.000 -6.441) 6.603 6.625 ( -2.185 0.000 -2.897) 3.629 6.796 ( 3.880 0.000 -2.211) 4.465 7.041 ( -1.201 0.000 -1.072) 1.610 7.225 ( -7.927 0.000 -1.892) 8.150 7.263 ( -2.716 0.000 -3.426) 4.372 7.431 ( 9.476 0.000 -4.857) 10.648 7.472 ( 0.202 0.000 3.331) 3.337 7.587 ( -2.723 0.000 2.457) 3.667 7.671 ( -6.730 0.000 0.068) 6.731 7.692 ( 2.889 0.000 -0.162) 2.893 8.015 ( 2.912 0.000 5.898) 6.578 8.057 ( 1.113 0.000 2.977) 3.178 8.124 ( 5.649 0.000 3.790) 6.803 8.241 ( -3.828 0.000 4.332) 5.781 8.400 ( -20.191 0.000 9.100) 22.147 8.517 ( -4.083 0.000 -1.068) 4.221 8.578 ( 9.187 0.000 -2.280) 9.466 8.656 ( -2.268 0.000 6.819) 7.186 8.792 ( -4.083 0.000 -7.009) 8.111 8.827 ( -10.185 0.000 3.685) 10.831 8.991 ( 10.620 0.000 -5.485) 11.953 9.062 ( -3.587 0.000 -5.898) 6.903 9.158 ( -3.774 0.000 -1.249) 3.975 9.351 ( -11.501 0.000 -2.250) 11.719 9.451 ( 17.300 0.000 2.873) 17.537 9.620 ( -5.033 0.000 -5.812) 7.688 9.821 ( 19.116 0.000 1.970) 19.217 9.891 ( 3.785 0.000 6.800) 7.782 9.919 ( 4.504 0.000 2.481) 5.142 9.969 ( 6.151 0.000 -1.291) 6.285 10.172 ( -4.459 0.000 -1.286) 4.641 10.195 ( 0.889 0.000 1.895) 2.093 10.323 ( 3.351 0.000 -1.896) 3.850 10.376 ( -30.447 0.000 -3.138) 30.608 10.465 ( -8.746 0.000 0.403) 8.756 10.485 ( -0.872 0.000 8.916) 8.958 10.592 ( 5.219 0.000 7.378) 9.038 10.729 ( -11.129 0.000 7.120) 13.211 10.806 ( -3.469 0.000 9.037) 9.680 11.022 ( -3.310 0.000 -1.190) 3.518 11.079 ( 6.969 0.000 -4.833) 8.481 11.157 ( -1.239 0.000 -5.592) 5.728 11.206 ( -7.127 0.000 -0.533) 7.147 11.234 ( 0.794 0.000 -4.608) 4.676 11.347 ( -1.796 0.000 -11.630) 11.768 11.449 ( 15.277 0.000 -6.132) 16.461 11.521 ( -7.225 0.000 -2.326) 7.590 11.558 ( -3.733 0.000 1.836) 4.160 11.608 ( -9.312 0.000 5.889) 11.018 11.754 ( 0.752 0.000 4.474) 4.537 11.866 ( 1.696 0.000 -1.077) 2.009 11.975 ( 4.447 0.000 -1.078) 4.575 12.061 ( -8.083 0.000 3.722) 8.899 12.192 ( 1.472 0.000 0.913) 1.732 12.210 ( -5.091 0.000 -2.651) 5.740 12.247 ( 10.451 0.000 -0.120) 10.452 12.277 ( 8.684 0.000 -5.550) 10.306 12.374 ( 4.817 0.000 -1.256) 4.978 12.429 ( 20.110 0.000 2.975) 20.329 12.530 ( -1.455 0.000 -3.190) 3.506 12.696 ( 15.233 0.000 -8.811) 17.598 12.737 ( -3.641 0.000 -0.157) 3.644 12.821 ( -9.391 0.000 -7.311) 11.902 12.881 ( -4.783 0.000 -5.457) 7.257 13.078 ( 2.647 0.000 9.510) 9.872 13.269 ( -4.015 0.000 1.694) 4.358 13.311 ( -5.561 0.000 -2.453) 6.078 13.381 ( 2.204 0.000 1.217) 2.517 13.567 ( 2.689 0.000 1.057) 2.889 13.620 ( 0.424 0.000 5.261) 5.278 13.637 ( -1.207 0.000 5.224) 5.361 14.071 ( 8.705 0.000 0.813) 8.743 14.101 ( 1.004 0.000 -4.311) 4.427 14.472 ( 1.408 0.000 -5.585) 5.759 14.668 ( -3.797 0.000 6.670) 7.675 14.679 ( 1.427 0.000 -7.076) 7.219 14.812 ( 3.226 0.000 4.025) 5.158 14.850 ( -0.518 0.000 -6.861) 6.881 14.964 ( -3.004 0.000 1.707) 3.456 15.119 ( 2.731 0.000 -1.458) 3.096 15.338 ( -1.628 0.000 4.101) 4.412 15.473 ( 2.746 0.000 5.520) 6.165 15.716 ( -1.763 0.000 -1.387) 2.243 15.821 ( -1.867 0.000 -11.419) 11.571 15.894 ( -1.083 0.000 7.926) 8.000 16.192 ( 2.953 0.000 3.368) 4.479 16.632 ( 1.965 0.000 1.059) 2.233 16.813 ( -2.624 0.000 -3.196) 4.135 17.074 ( 1.953 0.000 5.118) 5.478 17.331 ( 0.571 0.000 3.479) 3.526 17.474 ( 0.845 0.000 -4.341) 4.422 17.502 ( -1.086 0.000 -1.568) 1.907 17.641 ( 0.960 0.000 -0.066) 0.962 17.643 ( -1.463 0.000 0.762) 1.649 21.087 ( -25.663 0.000 0.076) 25.663 21.132 ( 0.886 0.000 -1.203) 1.494 21.280 ( -1.379 0.000 0.024) 1.379 21.296 ( 2.427 0.000 -1.221) 2.717 22.069 ( -2.196 0.000 2.703) 3.483 22.171 ( -1.348 0.000 8.466) 8.573 22.269 ( 0.970 0.000 -1.761) 2.011 22.725 ( -0.623 0.000 -7.479) 7.505 22.836 ( -0.434 0.000 1.654) 1.710 23.036 ( 1.628 0.000 -0.833) 1.829 23.171 ( -1.154 0.000 0.224) 1.175 23.219 ( 0.651 0.000 -3.218) 3.283 23.484 ( -1.438 0.000 4.554) 4.776 23.550 ( 2.980 0.000 0.959) 3.131 24.235 ( 1.777 0.000 6.820) 7.048 24.404 ( 1.666 0.000 2.790) 3.250 24.576 ( 1.626 0.000 -4.166) 4.472 24.656 ( -0.183 0.000 0.277) 0.332 24.902 ( -0.264 0.000 -3.440) 3.450 25.074 ( -1.467 0.000 -8.180) 8.310 25.419 ( 10.842 0.000 4.543) 11.755 25.702 ( -0.804 0.000 -2.563) 2.686 26.414 ( 23.149 0.000 2.511) 23.284 26.541 ( -1.571 0.000 -0.648) 1.699 27.097 ( -2.317 0.000 0.150) 2.322 27.104 ( -7.490 0.000 0.565) 7.511 27.114 ( -0.087 0.000 -0.250) 0.264 27.149 ( 0.314 0.000 -0.542) 0.626 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 17.139 0.000 16.800) 24.000 1.024 ( 20.717 0.000 21.766) 30.049 1.697 ( 30.811 0.000 21.367) 37.495 1.772 ( -5.165 0.000 -9.453) 10.772 1.847 ( 5.900 0.000 -8.024) 9.960 1.951 ( 4.983 0.000 -4.768) 6.897 2.118 ( 2.823 0.000 1.273) 3.097 2.209 ( 1.403 0.000 2.854) 3.180 2.237 ( 0.488 0.000 0.828) 0.961 2.269 ( -3.756 0.000 1.279) 3.968 2.313 ( 0.891 0.000 -2.344) 2.508 2.506 ( 0.098 0.000 -2.890) 2.892 2.535 ( 2.262 0.000 0.655) 2.355 2.560 ( 2.061 0.000 1.156) 2.363 2.678 ( 4.672 0.000 4.554) 6.525 2.734 ( 5.585 0.000 0.336) 5.595 2.819 ( 6.556 0.000 0.585) 6.582 2.901 ( -2.015 0.000 -0.441) 2.063 3.008 ( -1.217 0.000 -1.807) 2.179 3.084 ( 1.036 0.000 0.402) 1.111 3.108 ( 3.656 0.000 -0.940) 3.775 3.195 ( -3.081 0.000 4.291) 5.283 3.215 ( -1.753 0.000 -0.315) 1.781 3.236 ( 2.542 0.000 -2.199) 3.361 3.328 ( 7.185 0.000 10.378) 12.623 3.369 ( -1.186 0.000 -2.268) 2.559 3.383 ( -0.974 0.000 -0.041) 0.975 3.564 ( -4.766 0.000 0.205) 4.771 3.592 ( -2.161 0.000 -12.077) 12.268 3.656 ( -5.506 0.000 2.170) 5.918 3.720 ( -2.980 0.000 -1.775) 3.468 3.735 ( 2.206 0.000 2.384) 3.248 3.832 ( 6.527 0.000 0.395) 6.539 3.891 ( 0.528 0.000 -8.923) 8.938 4.135 ( 1.994 0.000 2.881) 3.504 4.286 ( -6.529 0.000 -1.068) 6.615 4.312 ( 0.612 0.000 1.022) 1.191 4.478 ( -0.038 0.000 -2.703) 2.703 4.654 ( -3.774 0.000 3.900) 5.427 4.667 ( -1.364 0.000 5.531) 5.697 4.705 ( -4.607 0.000 -1.368) 4.806 4.771 ( -4.248 0.000 -3.097) 5.257 4.919 ( -2.437 0.000 -0.276) 2.453 5.026 ( 3.187 0.000 -3.279) 4.573 5.046 ( -3.349 0.000 -4.505) 5.613 5.155 ( -0.635 0.000 -4.139) 4.188 5.218 ( -1.765 0.000 1.461) 2.291 5.332 ( 3.514 0.000 3.632) 5.054 5.402 ( -0.608 0.000 -9.114) 9.134 5.424 ( 4.177 0.000 3.245) 5.289 5.583 ( -0.085 0.000 -2.238) 2.239 5.596 ( -1.767 0.000 1.387) 2.246 5.994 ( -0.845 0.000 -1.439) 1.669 6.002 ( 10.882 0.000 -6.814) 12.839 6.083 ( -4.250 0.000 3.680) 5.622 6.261 ( 2.083 0.000 3.925) 4.443 6.380 ( 1.734 0.000 4.390) 4.720 6.532 ( 0.007 0.000 -3.660) 3.660 6.557 ( -2.915 0.000 -6.039) 6.706 6.777 ( -2.785 0.000 -0.799) 2.898 6.890 ( -20.358 0.000 5.599) 21.114 7.010 ( 0.993 0.000 -2.819) 2.989 7.037 ( -6.879 0.000 -3.974) 7.944 7.344 ( -14.397 0.000 2.941) 14.695 7.451 ( -2.883 0.000 -0.070) 2.884 7.466 ( -8.420 0.000 -3.375) 9.071 7.711 ( 8.387 0.000 0.780) 8.423 7.803 ( 5.171 0.000 3.571) 6.284 7.988 ( -19.352 0.000 2.609) 19.528 8.046 ( 3.177 0.000 4.583) 5.577 8.209 ( -1.245 0.000 2.029) 2.380 8.264 ( 0.293 0.000 2.051) 2.072 8.293 ( 12.576 0.000 1.417) 12.656 8.394 ( 0.142 0.000 9.328) 9.329 8.621 ( -5.466 0.000 7.848) 9.564 8.677 ( -3.255 0.000 4.633) 5.663 8.784 ( 3.710 0.000 -5.540) 6.667 8.786 ( 4.786 0.000 0.300) 4.796 8.869 ( -8.971 0.000 5.254) 10.397 8.964 ( 1.771 0.000 -2.109) 2.754 9.097 ( -1.625 0.000 -6.464) 6.665 9.268 ( 1.331 0.000 -4.847) 5.026 9.495 ( -3.388 0.000 -4.058) 5.286 9.652 ( -1.547 0.000 8.713) 8.849 9.901 ( -2.649 0.000 6.006) 6.565 9.947 ( -2.361 0.000 0.692) 2.460 9.964 ( 0.282 0.000 6.529) 6.535 10.032 ( -1.188 0.000 -0.555) 1.311 10.189 ( 0.214 0.000 -0.381) 0.437 10.220 ( 6.191 0.000 -10.532) 12.217 10.258 ( -4.400 0.000 3.542) 5.648 10.400 ( 3.494 0.000 2.393) 4.235 10.494 ( -8.296 0.000 10.886) 13.687 10.612 ( 18.214 0.000 -7.331) 19.634 10.648 ( -1.726 0.000 7.483) 7.680 10.756 ( 2.433 0.000 -0.018) 2.433 10.822 ( -5.263 0.000 -5.434) 7.565 10.911 ( 2.397 0.000 6.325) 6.763 11.055 ( -3.570 0.000 -11.046) 11.609 11.071 ( -2.724 0.000 -6.590) 7.131 11.157 ( 3.507 0.000 -1.673) 3.885 11.249 ( 6.982 0.000 0.793) 7.027 11.285 ( -5.251 0.000 -0.062) 5.251 11.408 ( 7.092 0.000 -1.825) 7.323 11.475 ( -6.011 0.000 -0.804) 6.064 11.489 ( -1.837 0.000 4.538) 4.896 11.723 ( -5.822 0.000 4.700) 7.482 11.735 ( 11.581 0.000 -1.605) 11.692 11.921 ( 2.567 0.000 -1.221) 2.842 11.985 ( -2.099 0.000 -3.309) 3.919 12.135 ( 1.328 0.000 1.725) 2.177 12.196 ( 0.111 0.000 -1.578) 1.582 12.279 ( 15.039 0.000 -2.612) 15.264 12.307 ( 4.916 0.000 -2.174) 5.375 12.447 ( 4.323 0.000 -3.598) 5.624 12.461 ( 8.017 0.000 2.202) 8.314 12.467 ( -5.864 0.000 -8.110) 10.008 12.676 ( 8.167 0.000 -0.372) 8.175 12.772 ( -3.104 0.000 2.489) 3.979 12.836 ( 9.754 0.000 0.493) 9.766 12.952 ( 16.464 0.000 -6.271) 17.618 13.007 ( 9.620 0.000 -11.352) 14.880 13.155 ( 0.462 0.000 4.560) 4.584 13.221 ( -3.241 0.000 0.373) 3.262 13.299 ( 7.928 0.000 -10.879) 13.461 13.410 ( 0.741 0.000 -0.166) 0.759 13.639 ( 4.590 0.000 2.981) 5.473 13.732 ( 10.247 0.000 -4.962) 11.385 13.782 ( 8.714 0.000 10.516) 13.657 14.118 ( 4.634 0.000 -8.985) 10.110 14.261 ( 7.997 0.000 3.140) 8.591 14.479 ( -2.584 0.000 -12.588) 12.851 14.599 ( 1.890 0.000 -0.324) 1.917 14.599 ( -6.539 0.000 5.170) 8.336 14.737 ( -3.191 0.000 -9.098) 9.642 14.915 ( -0.910 0.000 -1.931) 2.135 15.076 ( 15.935 0.000 -0.497) 15.942 15.211 ( 4.308 0.000 -0.834) 4.388 15.352 ( -0.428 0.000 4.627) 4.647 15.580 ( 1.531 0.000 3.345) 3.679 15.642 ( -3.720 0.000 -2.234) 4.340 15.704 ( -0.589 0.000 -8.345) 8.366 15.829 ( -9.971 0.000 8.372) 13.020 16.177 ( -4.679 0.000 -1.943) 5.066 16.668 ( -9.886 0.000 -2.739) 10.258 16.684 ( 1.861 0.000 2.455) 3.081 17.035 ( -6.691 0.000 11.587) 13.381 17.276 ( -7.314 0.000 2.902) 7.868 17.365 ( -9.283 0.000 -4.568) 10.346 17.427 ( -3.710 0.000 -3.710) 5.247 17.542 ( -8.010 0.000 6.843) 10.535 17.559 ( -6.257 0.000 -0.076) 6.257 21.050 ( 9.788 0.000 -5.039) 11.009 21.174 ( 2.877 0.000 0.470) 2.915 21.281 ( 2.130 0.000 -0.523) 2.193 21.376 ( 5.437 0.000 0.159) 5.439 22.057 ( -1.170 0.000 3.268) 3.471 22.211 ( -0.327 0.000 8.514) 8.521 22.288 ( 1.961 0.000 -1.228) 2.314 22.658 ( -1.493 0.000 -7.191) 7.344 22.851 ( 0.789 0.000 1.944) 2.098 23.054 ( 1.824 0.000 -3.100) 3.597 23.136 ( -2.029 0.000 -0.600) 2.116 23.231 ( 0.687 0.000 0.470) 0.833 23.514 ( 2.833 0.000 1.993) 3.464 23.672 ( 8.074 0.000 1.187) 8.161 24.335 ( 2.947 0.000 7.665) 8.212 24.466 ( 1.319 0.000 3.361) 3.611 24.516 ( -3.378 0.000 -4.825) 5.891 24.613 ( -2.676 0.000 1.118) 2.900 24.803 ( -6.821 0.000 -2.362) 7.219 24.944 ( -4.064 0.000 -10.955) 11.685 25.345 ( -14.069 0.000 11.568) 18.214 25.603 ( -5.326 0.000 -4.082) 6.710 26.154 ( -22.480 0.000 19.471) 29.740 26.408 ( -9.853 0.000 -4.433) 10.804 27.132 ( 2.594 0.000 -0.286) 2.610 27.154 ( 4.187 0.000 0.732) 4.250 27.214 ( 4.751 0.000 0.565) 4.784 27.305 ( 11.513 0.000 -8.283) 14.183 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 21.074 0.000 8.244) 22.629 1.560 ( 17.350 0.000 7.047) 18.726 1.725 ( 9.066 0.000 1.328) 9.163 1.896 ( 1.966 0.000 -2.051) 2.841 1.912 ( 3.608 0.000 -9.135) 9.821 2.147 ( 2.527 0.000 -6.160) 6.658 2.234 ( 1.458 0.000 8.137) 8.267 2.252 ( 2.667 0.000 1.468) 3.045 2.282 ( 1.540 0.000 4.607) 4.857 2.310 ( 2.854 0.000 -5.697) 6.372 2.408 ( 8.885 0.000 0.111) 8.885 2.467 ( -1.710 0.000 -4.637) 4.942 2.575 ( 0.077 0.000 1.171) 1.173 2.725 ( 5.045 0.000 8.990) 10.308 2.808 ( 0.207 0.000 -0.328) 0.388 2.821 ( 9.270 0.000 7.941) 12.206 2.891 ( 0.927 0.000 0.531) 1.069 2.908 ( 2.254 0.000 0.243) 2.267 3.014 ( 1.655 0.000 -1.677) 2.356 3.045 ( 0.693 0.000 0.260) 0.740 3.074 ( -8.441 0.000 -1.917) 8.656 3.178 ( -1.555 0.000 2.623) 3.049 3.259 ( 8.047 0.000 0.853) 8.093 3.271 ( 2.912 0.000 -2.992) 4.175 3.321 ( 6.597 0.000 -3.571) 7.501 3.395 ( -2.121 0.000 -2.115) 2.995 3.480 ( -3.927 0.000 4.250) 5.786 3.577 ( 5.710 0.000 3.292) 6.591 3.592 ( 0.813 0.000 4.691) 4.761 3.617 ( 9.678 0.000 -3.228) 10.202 3.666 ( 0.260 0.000 2.719) 2.732 3.766 ( 2.783 0.000 -6.238) 6.831 3.888 ( 4.640 0.000 -5.974) 7.565 3.948 ( 1.461 0.000 2.300) 2.725 4.121 ( -4.536 0.000 1.200) 4.692 4.158 ( -3.646 0.000 -0.845) 3.742 4.311 ( -1.973 0.000 -0.319) 1.999 4.405 ( -6.060 0.000 -2.183) 6.441 4.559 ( -12.272 0.000 4.489) 13.067 4.581 ( -6.552 0.000 1.958) 6.838 4.605 ( -4.711 0.000 -3.023) 5.597 4.679 ( -0.381 0.000 4.729) 4.744 4.787 ( -8.079 0.000 0.037) 8.079 4.923 ( -4.990 0.000 -2.519) 5.590 5.040 ( -7.481 0.000 -6.475) 9.894 5.090 ( 1.830 0.000 -3.573) 4.014 5.197 ( -0.726 0.000 -3.119) 3.203 5.366 ( 2.998 0.000 -3.057) 4.282 5.421 ( 1.143 0.000 5.020) 5.148 5.522 ( -1.913 0.000 -0.028) 1.913 5.554 ( 0.467 0.000 -4.180) 4.206 5.583 ( 4.432 0.000 4.784) 6.521 5.957 ( -1.656 0.000 -1.781) 2.431 5.965 ( -2.878 0.000 2.953) 4.123 6.261 ( 10.596 0.000 -4.759) 11.615 6.310 ( 1.532 0.000 5.560) 5.768 6.392 ( -5.988 0.000 0.203) 5.992 6.454 ( 0.431 0.000 -8.419) 8.430 6.490 ( -2.195 0.000 -2.824) 3.576 6.594 ( -10.625 0.000 7.079) 12.767 6.812 ( 4.033 0.000 -1.406) 4.271 6.918 ( -3.555 0.000 0.134) 3.558 7.031 ( 2.040 0.000 -1.751) 2.688 7.091 ( -12.283 0.000 1.802) 12.414 7.335 ( -0.325 0.000 -0.991) 1.043 7.390 ( -1.230 0.000 -3.567) 3.773 7.627 ( -9.862 0.000 -4.670) 10.912 7.891 ( 0.939 0.000 2.452) 2.625 7.915 ( 4.879 0.000 4.184) 6.427 8.155 ( 4.817 0.000 -2.205) 5.298 8.167 ( -3.461 0.000 -0.932) 3.585 8.230 ( -3.606 0.000 6.903) 7.788 8.421 ( -2.853 0.000 -4.872) 5.646 8.531 ( 5.262 0.000 -5.321) 7.484 8.604 ( 0.981 0.000 5.054) 5.148 8.681 ( 3.592 0.000 17.317) 17.685 8.842 ( 2.412 0.000 7.094) 7.493 8.848 ( 5.728 0.000 5.065) 7.646 8.912 ( 2.867 0.000 3.991) 4.914 8.980 ( -3.758 0.000 -1.209) 3.947 9.116 ( 8.922 0.000 -6.186) 10.857 9.215 ( -1.333 0.000 -4.439) 4.635 9.414 ( -3.605 0.000 -3.240) 4.847 9.555 ( -8.848 0.000 3.315) 9.449 9.841 ( -6.641 0.000 1.560) 6.822 9.859 ( -8.286 0.000 8.136) 11.613 9.954 ( -6.207 0.000 2.455) 6.674 9.997 ( -1.343 0.000 2.929) 3.222 10.070 ( -5.369 0.000 -3.467) 6.391 10.205 ( -1.484 0.000 3.863) 4.138 10.301 ( -7.730 0.000 -2.857) 8.241 10.402 ( 9.758 0.000 -2.584) 10.094 10.543 ( 6.497 0.000 3.149) 7.220 10.589 ( -6.810 0.000 1.523) 6.978 10.623 ( -2.592 0.000 -6.091) 6.620 10.764 ( -2.290 0.000 -6.558) 6.947 10.839 ( 2.756 0.000 -3.318) 4.313 10.876 ( -0.099 0.000 0.600) 0.608 11.111 ( -7.231 0.000 -1.988) 7.499 11.113 ( 5.500 0.000 3.470) 6.503 11.174 ( 14.178 0.000 -6.206) 15.477 11.298 ( -3.255 0.000 -4.003) 5.159 11.361 ( 9.619 0.000 -0.026) 9.619 11.422 ( 2.836 0.000 4.758) 5.539 11.486 ( 2.602 0.000 3.744) 4.559 11.610 ( -5.524 0.000 4.849) 7.350 11.691 ( 10.904 0.000 2.408) 11.167 11.797 ( -0.940 0.000 -4.677) 4.771 11.906 ( -2.945 0.000 1.410) 3.265 12.046 ( 9.043 0.000 -2.818) 9.472 12.081 ( -8.396 0.000 -3.494) 9.094 12.219 ( 3.129 0.000 1.775) 3.598 12.404 ( 6.542 0.000 -2.180) 6.895 12.440 ( 8.299 0.000 -0.106) 8.300 12.500 ( 10.165 0.000 -5.877) 11.742 12.520 ( -4.565 0.000 -3.959) 6.043 12.596 ( 9.006 0.000 -1.010) 9.062 12.761 ( 2.604 0.000 7.154) 7.614 12.863 ( 6.352 0.000 2.000) 6.660 13.050 ( 1.750 0.000 6.254) 6.495 13.089 ( -1.319 0.000 -0.185) 1.332 13.188 ( 5.794 0.000 0.894) 5.863 13.206 ( 6.707 0.000 -1.045) 6.787 13.224 ( 10.579 0.000 -2.648) 10.906 13.333 ( 3.637 0.000 -7.161) 8.032 13.481 ( 8.455 0.000 -0.556) 8.473 13.749 ( 3.026 0.000 3.123) 4.349 13.762 ( -4.248 0.000 -7.697) 8.791 14.082 ( 12.235 0.000 9.149) 15.277 14.214 ( 10.911 0.000 -13.652) 17.476 14.313 ( -2.986 0.000 -8.306) 8.827 14.387 ( -0.790 0.000 -2.330) 2.460 14.490 ( -1.959 0.000 10.428) 10.611 14.686 ( 5.841 0.000 -1.364) 5.998 14.701 ( 4.673 0.000 -7.306) 8.673 14.886 ( -1.396 0.000 -4.481) 4.693 15.184 ( -8.254 0.000 -1.802) 8.449 15.345 ( -2.986 0.000 1.916) 3.548 15.371 ( 13.024 0.000 -0.897) 13.055 15.545 ( 0.335 0.000 -2.432) 2.455 15.580 ( -0.867 0.000 1.737) 1.941 15.659 ( -9.972 0.000 7.342) 12.383 15.746 ( 3.068 0.000 -0.078) 3.069 15.995 ( -9.869 0.000 -6.505) 11.820 16.432 ( -11.737 0.000 0.972) 11.777 16.732 ( 1.269 0.000 2.094) 2.449 16.991 ( -5.513 0.000 10.294) 11.678 17.099 ( -12.455 0.000 -4.470) 13.233 17.117 ( -8.454 0.000 1.358) 8.562 17.303 ( -5.485 0.000 -3.970) 6.771 17.427 ( -7.495 0.000 5.996) 9.598 17.431 ( -5.001 0.000 -1.365) 5.183 21.212 ( 9.558 0.000 -7.867) 12.379 21.228 ( 2.374 0.000 -0.362) 2.401 21.364 ( 4.399 0.000 3.101) 5.382 21.502 ( 6.303 0.000 0.969) 6.377 22.061 ( -0.864 0.000 4.287) 4.374 22.256 ( -0.942 0.000 8.733) 8.784 22.334 ( 3.014 0.000 -0.195) 3.020 22.574 ( -2.444 0.000 -5.493) 6.013 22.889 ( 1.518 0.000 2.059) 2.558 23.074 ( 2.183 0.000 -3.672) 4.272 23.088 ( -2.125 0.000 -0.351) 2.154 23.231 ( -1.368 0.000 1.248) 1.852 23.640 ( 8.786 0.000 0.892) 8.831 23.866 ( 9.727 0.000 -0.245) 9.730 24.412 ( -3.996 0.000 -3.892) 5.578 24.431 ( -1.837 0.000 -2.679) 3.249 24.438 ( -1.136 0.000 3.137) 3.336 24.548 ( -4.414 0.000 -0.969) 4.520 24.668 ( -5.139 0.000 5.128) 7.260 24.786 ( -3.301 0.000 -12.443) 12.873 25.160 ( -10.941 0.000 11.821) 16.107 25.516 ( 0.289 0.000 -2.358) 2.376 25.887 ( -16.598 0.000 15.661) 22.820 26.115 ( -13.719 0.000 -8.357) 16.064 27.200 ( 3.664 0.000 -0.174) 3.669 27.252 ( 4.489 0.000 0.456) 4.512 27.314 ( 3.990 0.000 1.430) 4.239 27.419 ( 5.015 0.000 -4.378) 6.657 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 9.102 0.000 -0.841) 9.141 1.777 ( 12.803 0.000 2.621) 13.069 1.898 ( -0.824 0.000 -0.502) 0.965 1.898 ( 0.586 0.000 -1.567) 1.673 2.104 ( -3.504 0.000 -3.471) 4.932 2.129 ( 14.135 0.000 9.023) 16.769 2.223 ( -8.389 0.000 -1.171) 8.471 2.224 ( -4.529 0.000 5.295) 6.967 2.379 ( 2.217 0.000 -0.333) 2.242 2.404 ( 9.808 0.000 -3.503) 10.414 2.457 ( 2.617 0.000 -0.401) 2.647 2.535 ( -0.158 0.000 2.101) 2.107 2.544 ( 7.754 0.000 0.094) 7.755 2.687 ( -4.228 0.000 0.537) 4.262 2.728 ( -6.603 0.000 0.015) 6.603 2.815 ( -3.257 0.000 -0.329) 3.273 2.914 ( 0.210 0.000 1.052) 1.073 2.948 ( -4.010 0.000 4.167) 5.783 2.972 ( 0.019 0.000 -1.333) 1.333 3.035 ( -1.138 0.000 2.231) 2.505 3.102 ( 3.061 0.000 -2.243) 3.795 3.309 ( 2.566 0.000 -4.140) 4.871 3.369 ( 2.201 0.000 1.884) 2.897 3.378 ( 0.901 0.000 1.032) 1.370 3.399 ( 0.142 0.000 0.269) 0.304 3.433 ( 3.128 0.000 -3.991) 5.071 3.449 ( 3.087 0.000 2.944) 4.266 3.563 ( 5.260 0.000 7.541) 9.194 3.689 ( -3.120 0.000 1.207) 3.345 3.716 ( 4.333 0.000 -1.575) 4.610 3.894 ( 7.411 0.000 -5.937) 9.496 3.897 ( 9.156 0.000 10.373) 13.836 3.905 ( 5.203 0.000 -2.238) 5.664 4.008 ( 8.026 0.000 -0.942) 8.081 4.019 ( -5.255 0.000 2.218) 5.704 4.149 ( 1.555 0.000 -2.955) 3.339 4.177 ( -11.134 0.000 -1.403) 11.222 4.233 ( -17.302 0.000 -0.321) 17.305 4.236 ( -3.651 0.000 -0.071) 3.652 4.469 ( -6.778 0.000 4.243) 7.997 4.555 ( 0.317 0.000 -0.449) 0.550 4.701 ( 0.065 0.000 -6.465) 6.465 4.709 ( -1.123 0.000 4.077) 4.229 4.784 ( -11.989 0.000 -4.722) 12.886 4.897 ( 3.766 0.000 3.947) 5.456 5.097 ( 0.963 0.000 -0.021) 0.963 5.186 ( 5.522 0.000 -6.909) 8.844 5.383 ( -1.027 0.000 -0.335) 1.080 5.392 ( -3.395 0.000 -0.136) 3.397 5.510 ( -1.666 0.000 0.758) 1.830 5.575 ( 0.110 0.000 2.066) 2.069 5.643 ( -1.794 0.000 2.133) 2.787 5.946 ( -1.013 0.000 4.954) 5.056 6.015 ( 8.737 0.000 -3.948) 9.587 6.276 ( -2.372 0.000 -2.323) 3.320 6.305 ( -3.018 0.000 -1.707) 3.468 6.355 ( -2.750 0.000 -2.319) 3.597 6.435 ( -3.052 0.000 -0.909) 3.184 6.447 ( 4.066 0.000 3.675) 5.480 6.519 ( 1.747 0.000 -0.272) 1.768 6.877 ( -2.423 0.000 2.616) 3.566 6.889 ( -5.918 0.000 -0.396) 5.931 6.913 ( 4.944 0.000 0.992) 5.043 7.023 ( -2.649 0.000 0.428) 2.684 7.377 ( 2.830 0.000 -5.318) 6.024 7.440 ( 6.880 0.000 -4.837) 8.410 7.492 ( 0.729 0.000 -3.030) 3.116 7.869 ( -2.845 0.000 -2.245) 3.624 7.976 ( -0.892 0.000 3.530) 3.641 8.085 ( -3.459 0.000 -1.035) 3.611 8.202 ( -3.217 0.000 5.698) 6.543 8.207 ( 2.229 0.000 -0.136) 2.233 8.328 ( -2.798 0.000 -3.522) 4.498 8.480 ( 1.410 0.000 -10.560) 10.653 8.812 ( -1.701 0.000 11.283) 11.410 8.832 ( 8.813 0.000 9.779) 13.164 8.850 ( -7.618 0.000 -3.095) 8.222 8.883 ( -1.483 0.000 -1.695) 2.252 8.973 ( 2.444 0.000 7.709) 8.087 9.026 ( 2.855 0.000 4.181) 5.063 9.236 ( 6.764 0.000 -5.257) 8.567 9.270 ( 7.046 0.000 -0.124) 7.047 9.324 ( -2.455 0.000 3.974) 4.671 9.443 ( -1.809 0.000 2.163) 2.820 9.685 ( -11.708 0.000 8.942) 14.732 9.741 ( -5.727 0.000 5.628) 8.030 9.847 ( -5.006 0.000 1.587) 5.252 9.940 ( -3.036 0.000 -3.201) 4.412 10.033 ( 0.462 0.000 1.755) 1.815 10.127 ( -4.232 0.000 1.502) 4.490 10.252 ( 0.178 0.000 -0.296) 0.346 10.483 ( -1.106 0.000 -1.968) 2.257 10.503 ( 2.452 0.000 -1.018) 2.655 10.620 ( 4.839 0.000 -8.325) 9.630 10.664 ( 4.030 0.000 0.049) 4.030 10.718 ( 3.049 0.000 -2.263) 3.797 10.801 ( -4.342 0.000 -2.694) 5.110 10.899 ( -1.674 0.000 -0.141) 1.680 11.030 ( 1.119 0.000 -3.735) 3.899 11.176 ( -1.997 0.000 5.182) 5.554 11.271 ( 3.428 0.000 -2.652) 4.334 11.277 ( -1.898 0.000 -3.525) 4.004 11.316 ( -7.571 0.000 -1.403) 7.700 11.531 ( 4.481 0.000 5.036) 6.741 11.575 ( 3.366 0.000 4.816) 5.876 11.746 ( 9.686 0.000 6.125) 11.460 11.836 ( -9.316 0.000 -2.972) 9.779 11.847 ( 4.118 0.000 -1.556) 4.402 11.862 ( 11.299 0.000 -6.973) 13.278 11.892 ( -1.852 0.000 3.315) 3.797 12.149 ( -0.446 0.000 -4.875) 4.895 12.286 ( -0.468 0.000 4.884) 4.907 12.387 ( -0.596 0.000 -3.880) 3.925 12.535 ( 4.808 0.000 -2.826) 5.577 12.614 ( 6.127 0.000 5.578) 8.285 12.637 ( 6.098 0.000 -0.379) 6.110 12.755 ( 6.486 0.000 -1.019) 6.566 12.828 ( -6.496 0.000 4.731) 8.036 12.913 ( -2.331 0.000 3.470) 4.181 13.013 ( -4.143 0.000 1.068) 4.279 13.022 ( 1.488 0.000 1.729) 2.282 13.284 ( 2.602 0.000 -8.744) 9.123 13.339 ( 3.346 0.000 5.079) 6.082 13.360 ( 1.943 0.000 -0.686) 2.060 13.416 ( 4.473 0.000 -1.433) 4.696 13.619 ( -0.136 0.000 -0.228) 0.266 13.672 ( 7.050 0.000 -4.549) 8.390 13.795 ( 3.121 0.000 -6.043) 6.801 14.184 ( -4.762 0.000 -5.055) 6.945 14.210 ( 1.602 0.000 -8.331) 8.484 14.332 ( -1.560 0.000 10.176) 10.295 14.408 ( 10.653 0.000 -7.821) 13.216 14.677 ( 1.421 0.000 9.101) 9.211 14.749 ( 1.528 0.000 -2.657) 3.065 14.770 ( -4.904 0.000 -6.116) 7.839 14.841 ( 9.495 0.000 0.590) 9.513 14.933 ( -3.633 0.000 -3.403) 4.978 15.284 ( -3.207 0.000 2.840) 4.284 15.527 ( -6.973 0.000 2.711) 7.482 15.547 ( 0.905 0.000 0.986) 1.338 15.627 ( 6.437 0.000 -1.176) 6.543 15.634 ( 1.851 0.000 6.835) 7.081 15.690 ( -4.945 0.000 -8.311) 9.670 15.837 ( 1.314 0.000 -3.414) 3.658 16.245 ( -7.356 0.000 4.683) 8.720 16.753 ( -0.674 0.000 -0.925) 1.144 16.884 ( -4.041 0.000 -2.407) 4.704 16.915 ( -5.736 0.000 4.482) 7.279 17.013 ( -3.242 0.000 2.527) 4.111 17.198 ( -1.851 0.000 -2.346) 2.988 17.322 ( -5.644 0.000 3.284) 6.530 17.363 ( -0.471 0.000 -1.581) 1.649 21.265 ( 1.417 0.000 -0.830) 1.642 21.322 ( 5.765 0.000 -6.587) 8.754 21.453 ( 1.050 0.000 5.027) 5.135 21.635 ( 5.765 0.000 2.096) 6.134 22.078 ( -0.589 0.000 5.777) 5.807 22.279 ( -2.678 0.000 9.620) 9.986 22.382 ( 0.392 0.000 -1.046) 1.117 22.528 ( 1.795 0.000 -0.606) 1.895 22.921 ( 0.013 0.000 0.727) 0.727 23.065 ( -0.044 0.000 2.119) 2.120 23.091 ( 1.826 0.000 -3.672) 4.101 23.196 ( -2.274 0.000 0.018) 2.274 23.849 ( 8.683 0.000 0.736) 8.715 23.987 ( 3.512 0.000 -8.803) 9.478 24.197 ( -6.453 0.000 -8.126) 10.376 24.365 ( -10.585 0.000 -1.601) 10.705 24.431 ( -2.575 0.000 -1.465) 2.963 24.446 ( 2.093 0.000 -2.226) 3.056 24.656 ( -1.892 0.000 8.209) 8.424 24.740 ( 6.956 0.000 -6.407) 9.457 25.054 ( -5.913 0.000 7.162) 9.287 25.553 ( 0.657 0.000 -2.823) 2.899 25.670 ( -13.434 0.000 11.294) 17.551 25.851 ( -2.603 0.000 -6.170) 6.697 27.258 ( 1.742 0.000 0.145) 1.748 27.317 ( 1.551 0.000 -0.531) 1.640 27.377 ( 1.100 0.000 1.454) 1.823 27.472 ( 2.505 0.000 -1.782) 3.074 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -17.301 0.000 0.687) 17.314 1.787 ( -15.359 0.000 -3.482) 15.749 1.902 ( -2.755 0.000 2.009) 3.410 1.948 ( -4.834 0.000 3.022) 5.701 1.997 ( -1.879 0.000 -5.063) 5.400 2.084 ( 5.519 0.000 6.382) 8.437 2.178 ( -6.507 0.000 -3.168) 7.237 2.196 ( -0.445 0.000 2.032) 2.081 2.449 ( 6.727 0.000 4.489) 8.087 2.496 ( -4.054 0.000 -0.493) 4.084 2.549 ( 3.559 0.000 1.447) 3.842 2.552 ( -0.709 0.000 -1.989) 2.111 2.627 ( -1.949 0.000 3.544) 4.044 2.733 ( 0.395 0.000 5.301) 5.316 2.794 ( 12.590 0.000 4.831) 13.485 2.827 ( 1.367 0.000 -3.144) 3.429 2.897 ( -2.448 0.000 0.317) 2.469 2.908 ( -0.212 0.000 0.053) 0.219 2.937 ( -3.461 0.000 -2.782) 4.441 3.011 ( 2.515 0.000 -0.697) 2.610 3.109 ( -13.562 0.000 -4.520) 14.295 3.183 ( 2.666 0.000 1.672) 3.147 3.300 ( -1.403 0.000 -3.420) 3.696 3.356 ( -3.097 0.000 -1.438) 3.415 3.398 ( -2.986 0.000 -4.209) 5.161 3.438 ( -7.990 0.000 1.843) 8.199 3.485 ( -1.119 0.000 5.921) 6.026 3.528 ( -11.090 0.000 -1.633) 11.210 3.660 ( 1.029 0.000 3.099) 3.266 3.703 ( -3.370 0.000 6.588) 7.400 3.814 ( -10.095 0.000 2.400) 10.377 3.886 ( 2.330 0.000 -2.141) 3.164 4.051 ( 5.741 0.000 3.472) 6.709 4.060 ( -4.678 0.000 0.148) 4.680 4.137 ( 4.199 0.000 -0.717) 4.260 4.144 ( 10.700 0.000 -2.065) 10.897 4.177 ( 2.195 0.000 4.596) 5.093 4.281 ( 11.048 0.000 -4.684) 12.000 4.305 ( 11.839 0.000 2.868) 12.182 4.345 ( -7.781 0.000 1.293) 7.887 4.479 ( -4.746 0.000 -10.120) 11.178 4.597 ( 3.120 0.000 1.700) 3.553 4.720 ( 4.079 0.000 -6.487) 7.663 4.763 ( 3.867 0.000 2.790) 4.768 5.079 ( 8.555 0.000 5.635) 10.244 5.139 ( 2.017 0.000 2.619) 3.306 5.307 ( 5.040 0.000 -5.189) 7.233 5.331 ( -2.247 0.000 -0.974) 2.449 5.385 ( 4.276 0.000 2.851) 5.140 5.436 ( -2.993 0.000 -3.182) 4.368 5.552 ( -3.197 0.000 3.009) 4.390 5.558 ( -6.917 0.000 -1.163) 7.014 5.953 ( -1.570 0.000 3.513) 3.848 6.130 ( 0.980 0.000 -1.617) 1.891 6.241 ( -2.813 0.000 0.661) 2.890 6.247 ( -2.089 0.000 -3.456) 4.038 6.257 ( -1.195 0.000 -1.898) 2.243 6.408 ( 4.123 0.000 -1.609) 4.426 6.577 ( 2.539 0.000 -1.017) 2.735 6.612 ( 9.061 0.000 4.939) 10.320 6.842 ( -1.066 0.000 1.930) 2.205 6.897 ( 4.243 0.000 0.204) 4.248 6.984 ( 0.202 0.000 -1.190) 1.207 6.998 ( 2.564 0.000 2.178) 3.364 7.329 ( -5.060 0.000 -5.087) 7.175 7.410 ( 2.682 0.000 -5.188) 5.840 7.668 ( 7.143 0.000 -0.012) 7.143 7.771 ( -3.197 0.000 -5.836) 6.655 7.987 ( 0.167 0.000 4.844) 4.847 8.036 ( -0.413 0.000 -0.988) 1.071 8.182 ( -1.998 0.000 2.357) 3.090 8.243 ( -0.524 0.000 1.898) 1.969 8.254 ( -1.840 0.000 -4.855) 5.192 8.447 ( 1.297 0.000 -7.381) 7.494 8.659 ( -6.941 0.000 -0.906) 7.000 8.788 ( -4.754 0.000 7.229) 8.652 8.834 ( -4.563 0.000 -0.322) 4.575 8.944 ( -1.459 0.000 10.202) 10.306 8.995 ( -3.216 0.000 3.075) 4.449 9.117 ( 4.159 0.000 4.815) 6.362 9.346 ( 6.434 0.000 -0.783) 6.481 9.395 ( 4.329 0.000 -3.449) 5.535 9.416 ( 7.117 0.000 1.573) 7.289 9.467 ( -1.623 0.000 8.729) 8.879 9.570 ( -4.376 0.000 5.615) 7.119 9.695 ( -2.092 0.000 7.209) 7.507 9.778 ( -2.912 0.000 1.427) 3.243 9.874 ( -0.758 0.000 -4.427) 4.492 10.086 ( 4.038 0.000 2.167) 4.582 10.106 ( 0.712 0.000 2.258) 2.367 10.208 ( -2.187 0.000 -5.542) 5.958 10.556 ( 5.918 0.000 4.103) 7.201 10.603 ( 4.397 0.000 -2.349) 4.985 10.622 ( 1.448 0.000 0.392) 1.500 10.698 ( 1.542 0.000 -9.421) 9.546 10.723 ( -0.276 0.000 -0.025) 0.277 10.799 ( -3.715 0.000 0.945) 3.833 10.829 ( 5.406 0.000 0.083) 5.407 11.024 ( -8.906 0.000 -6.867) 11.246 11.031 ( 1.504 0.000 -6.605) 6.775 11.193 ( -3.884 0.000 2.813) 4.795 11.226 ( -0.020 0.000 -7.804) 7.804 11.405 ( 5.395 0.000 7.868) 9.540 11.566 ( -12.579 0.000 -1.420) 12.659 11.649 ( 0.874 0.000 8.178) 8.224 11.685 ( 4.121 0.000 4.898) 6.401 11.800 ( -8.788 0.000 -1.577) 8.929 11.886 ( 2.856 0.000 2.498) 3.795 11.982 ( -0.413 0.000 -2.997) 3.025 12.037 ( 8.692 0.000 4.949) 10.002 12.069 ( 3.545 0.000 -6.640) 7.527 12.321 ( -3.245 0.000 1.996) 3.810 12.364 ( 3.467 0.000 -6.192) 7.096 12.515 ( -3.772 0.000 0.388) 3.791 12.587 ( -13.824 0.000 3.041) 14.155 12.731 ( 0.981 0.000 0.461) 1.084 12.732 ( -0.964 0.000 3.891) 4.008 12.835 ( 2.419 0.000 -6.810) 7.227 12.848 ( -4.898 0.000 4.441) 6.612 12.950 ( -3.783 0.000 7.256) 8.183 13.104 ( -2.434 0.000 0.910) 2.598 13.207 ( 1.865 0.000 -4.669) 5.028 13.322 ( 0.704 0.000 -3.509) 3.579 13.402 ( -1.016 0.000 6.237) 6.319 13.469 ( -0.141 0.000 0.071) 0.158 13.635 ( -6.414 0.000 -6.446) 9.093 13.779 ( 9.569 0.000 5.252) 10.916 13.786 ( 2.348 0.000 -12.045) 12.271 13.971 ( -12.882 0.000 -3.244) 13.284 14.203 ( 1.276 0.000 -9.447) 9.533 14.271 ( -16.971 0.000 -0.259) 16.973 14.445 ( -0.105 0.000 0.631) 0.640 14.531 ( 3.074 0.000 -2.448) 3.929 14.684 ( 1.943 0.000 -1.492) 2.450 14.923 ( 3.560 0.000 -3.480) 4.978 15.053 ( 6.551 0.000 2.856) 7.147 15.084 ( 12.810 0.000 9.355) 15.862 15.290 ( -0.948 0.000 6.057) 6.130 15.379 ( -4.123 0.000 -9.562) 10.413 15.435 ( -1.050 0.000 1.431) 1.776 15.580 ( -4.040 0.000 -6.050) 7.275 15.676 ( -1.965 0.000 4.356) 4.778 15.775 ( 6.527 0.000 -5.051) 8.253 15.907 ( 5.998 0.000 -0.686) 6.037 16.231 ( 0.824 0.000 10.132) 10.166 16.679 ( -2.650 0.000 -4.528) 5.246 16.874 ( 0.069 0.000 1.194) 1.196 16.953 ( 8.970 0.000 0.810) 9.006 16.987 ( -0.605 0.000 1.815) 1.913 17.224 ( 5.537 0.000 -1.083) 5.642 17.255 ( -1.994 0.000 1.130) 2.292 17.388 ( 3.010 0.000 -0.065) 3.011 21.266 ( -1.039 0.000 -0.513) 1.159 21.355 ( 1.382 0.000 -5.519) 5.689 21.459 ( -3.114 0.000 4.017) 5.083 21.761 ( 5.142 0.000 2.922) 5.914 22.111 ( -0.373 0.000 7.373) 7.383 22.278 ( -4.241 0.000 12.959) 13.635 22.339 ( -1.946 0.000 -2.687) 3.317 22.631 ( 5.516 0.000 3.351) 6.454 22.898 ( -1.890 0.000 0.027) 1.891 23.084 ( -0.547 0.000 -5.417) 5.445 23.111 ( 1.869 0.000 3.843) 4.273 23.171 ( 0.674 0.000 1.035) 1.236 23.800 ( -8.868 0.000 -3.773) 9.637 23.911 ( -2.102 0.000 -14.850) 14.998 24.095 ( -11.493 0.000 -7.961) 13.981 24.249 ( 7.474 0.000 -3.459) 8.235 24.382 ( 2.752 0.000 0.837) 2.876 24.487 ( 2.371 0.000 -1.666) 2.898 24.626 ( -5.393 0.000 2.274) 5.853 24.968 ( 7.300 0.000 11.168) 13.343 25.010 ( 4.568 0.000 -3.354) 5.667 25.474 ( -0.452 0.000 -5.513) 5.531 25.496 ( -9.066 0.000 5.750) 10.736 25.990 ( 12.958 0.000 0.304) 12.961 27.265 ( -1.332 0.000 0.527) 1.432 27.301 ( -2.449 0.000 -1.081) 2.677 27.374 ( -2.254 0.000 1.093) 2.505 27.500 ( 1.073 0.000 -0.952) 1.435 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -27.024 0.000 3.332) 27.228 1.265 ( -29.432 0.000 1.473) 29.469 1.857 ( -3.253 0.000 -8.714) 9.302 1.903 ( 0.291 0.000 4.452) 4.462 1.952 ( -4.734 0.000 -1.006) 4.840 2.058 ( -23.519 0.000 -2.467) 23.648 2.149 ( -7.049 0.000 4.339) 8.277 2.152 ( 1.524 0.000 3.235) 3.576 2.244 ( -8.408 0.000 0.227) 8.411 2.405 ( -7.404 0.000 2.650) 7.863 2.507 ( -0.944 0.000 -1.208) 1.533 2.576 ( -1.337 0.000 1.659) 2.131 2.647 ( -1.390 0.000 5.669) 5.837 2.675 ( 0.549 0.000 1.980) 2.055 2.744 ( -3.250 0.000 -11.648) 12.093 2.803 ( -2.399 0.000 5.350) 5.863 2.864 ( -4.319 0.000 1.201) 4.482 2.938 ( 0.114 0.000 0.611) 0.622 2.971 ( 0.014 0.000 -2.032) 2.032 3.058 ( 0.380 0.000 -0.123) 0.399 3.124 ( 4.030 0.000 0.026) 4.030 3.200 ( -3.174 0.000 1.924) 3.712 3.232 ( -1.476 0.000 -5.296) 5.498 3.253 ( -2.311 0.000 -0.439) 2.352 3.299 ( -8.016 0.000 -2.583) 8.422 3.304 ( 3.608 0.000 -0.658) 3.667 3.317 ( -2.935 0.000 -1.284) 3.203 3.565 ( 0.658 0.000 9.519) 9.541 3.653 ( -2.254 0.000 4.034) 4.621 3.676 ( -2.546 0.000 0.328) 2.567 3.774 ( 1.431 0.000 5.591) 5.771 3.885 ( -6.445 0.000 -5.383) 8.397 3.996 ( -10.308 0.000 -2.004) 10.501 4.059 ( 8.338 0.000 3.897) 9.204 4.134 ( 1.480 0.000 -0.490) 1.559 4.146 ( -1.059 0.000 1.635) 1.948 4.325 ( -0.596 0.000 -3.368) 3.420 4.398 ( 10.962 0.000 -0.926) 11.001 4.448 ( 7.921 0.000 -3.099) 8.506 4.527 ( 7.874 0.000 2.338) 8.214 4.531 ( 8.697 0.000 -0.520) 8.713 4.699 ( 5.879 0.000 1.339) 6.030 4.845 ( 10.845 0.000 -4.033) 11.570 4.853 ( 3.397 0.000 -1.268) 3.626 5.177 ( 0.441 0.000 -1.575) 1.635 5.218 ( 1.396 0.000 0.313) 1.430 5.294 ( -2.779 0.000 6.278) 6.866 5.331 ( 4.041 0.000 -0.877) 4.135 5.362 ( -5.132 0.000 -2.591) 5.749 5.413 ( -1.817 0.000 -2.898) 3.420 5.509 ( 0.858 0.000 -1.198) 1.474 5.571 ( 6.257 0.000 1.711) 6.487 5.933 ( -0.159 0.000 -1.066) 1.077 6.057 ( -5.789 0.000 3.300) 6.663 6.177 ( -1.470 0.000 -3.343) 3.652 6.177 ( -2.429 0.000 -8.042) 8.400 6.277 ( 1.422 0.000 0.618) 1.550 6.499 ( 0.514 0.000 3.085) 3.127 6.595 ( 1.772 0.000 -0.567) 1.860 6.784 ( -0.274 0.000 4.068) 4.077 6.907 ( 5.486 0.000 0.996) 5.575 6.927 ( 4.609 0.000 -3.297) 5.667 7.065 ( 7.344 0.000 -4.526) 8.627 7.102 ( 6.930 0.000 6.684) 9.628 7.318 ( 7.178 0.000 0.032) 7.179 7.403 ( 0.772 0.000 -5.244) 5.301 7.700 ( -0.243 0.000 -5.620) 5.625 7.760 ( 2.808 0.000 1.883) 3.381 7.991 ( -5.871 0.000 8.979) 10.729 8.054 ( -0.703 0.000 -0.763) 1.037 8.073 ( -2.028 0.000 -5.462) 5.826 8.198 ( -3.405 0.000 -0.388) 3.427 8.268 ( 2.716 0.000 2.182) 3.484 8.435 ( -0.370 0.000 -2.776) 2.800 8.635 ( 1.742 0.000 7.169) 7.378 8.732 ( -6.312 0.000 9.350) 11.281 8.753 ( -1.687 0.000 4.279) 4.600 8.930 ( -4.113 0.000 1.978) 4.564 9.011 ( 1.906 0.000 5.772) 6.078 9.195 ( -0.031 0.000 3.980) 3.980 9.357 ( -3.345 0.000 -3.660) 4.959 9.417 ( -3.055 0.000 5.782) 6.539 9.491 ( -4.873 0.000 0.168) 4.876 9.535 ( 2.812 0.000 2.105) 3.513 9.550 ( 8.032 0.000 -5.915) 9.975 9.713 ( -0.959 0.000 1.454) 1.742 9.799 ( 4.998 0.000 1.805) 5.314 9.831 ( -1.392 0.000 -3.937) 4.176 10.122 ( -0.390 0.000 -1.601) 1.647 10.196 ( 4.408 0.000 0.234) 4.414 10.210 ( 4.918 0.000 2.235) 5.402 10.555 ( -1.874 0.000 1.349) 2.309 10.575 ( -6.898 0.000 3.192) 7.601 10.645 ( -10.074 0.000 3.518) 10.671 10.670 ( 2.538 0.000 -4.656) 5.303 10.820 ( 4.626 0.000 2.214) 5.129 10.835 ( 11.147 0.000 -5.376) 12.375 10.893 ( -0.203 0.000 0.907) 0.929 10.964 ( 9.724 0.000 -7.422) 12.233 11.024 ( 2.843 0.000 -5.694) 6.365 11.187 ( -1.478 0.000 -6.108) 6.284 11.187 ( 0.226 0.000 6.062) 6.067 11.268 ( -7.620 0.000 -5.486) 9.389 11.556 ( 1.269 0.000 6.730) 6.849 11.582 ( -9.757 0.000 0.085) 9.757 11.703 ( -0.717 0.000 8.112) 8.144 11.762 ( -1.487 0.000 5.255) 5.462 11.907 ( -4.361 0.000 -3.061) 5.328 11.932 ( 0.497 0.000 -1.220) 1.317 12.053 ( -3.011 0.000 -0.223) 3.019 12.163 ( 1.068 0.000 3.002) 3.186 12.257 ( -1.795 0.000 0.649) 1.909 12.345 ( -8.209 0.000 -4.746) 9.482 12.396 ( 3.872 0.000 -12.248) 12.845 12.504 ( 1.177 0.000 2.696) 2.942 12.627 ( -13.256 0.000 -4.479) 13.993 12.645 ( -9.625 0.000 6.460) 11.592 12.695 ( -3.071 0.000 3.297) 4.505 12.847 ( -6.622 0.000 5.718) 8.749 12.947 ( -0.990 0.000 3.120) 3.273 12.978 ( -3.466 0.000 -8.120) 8.829 13.306 ( 0.817 0.000 4.486) 4.560 13.313 ( -11.234 0.000 3.118) 11.659 13.355 ( 4.262 0.000 -4.296) 6.052 13.435 ( -5.953 0.000 -4.567) 7.503 13.446 ( -0.025 0.000 5.388) 5.388 13.699 ( -11.342 0.000 -0.097) 11.342 13.752 ( -1.057 0.000 -5.128) 5.236 13.979 ( -4.823 0.000 -8.641) 9.896 13.996 ( 7.889 0.000 3.599) 8.671 14.060 ( -7.913 0.000 -15.723) 17.602 14.506 ( 3.980 0.000 0.588) 4.023 14.535 ( 1.071 0.000 -4.593) 4.716 14.787 ( 3.786 0.000 7.854) 8.719 14.928 ( -0.416 0.000 -1.747) 1.796 15.018 ( -5.971 0.000 -2.778) 6.586 15.204 ( -5.440 0.000 4.690) 7.183 15.321 ( -0.700 0.000 -17.598) 17.612 15.428 ( 6.217 0.000 6.109) 8.716 15.505 ( 6.490 0.000 2.106) 6.823 15.584 ( 7.996 0.000 1.868) 8.211 15.663 ( 1.288 0.000 3.109) 3.365 15.781 ( -0.367 0.000 -13.905) 13.910 16.004 ( 3.827 0.000 -3.522) 5.201 16.391 ( 6.256 0.000 18.702) 19.720 16.617 ( -0.686 0.000 -4.156) 4.212 16.895 ( -0.214 0.000 1.532) 1.546 17.043 ( 6.239 0.000 0.282) 6.246 17.185 ( 12.309 0.000 0.072) 12.310 17.279 ( 3.674 0.000 2.290) 4.329 17.376 ( 8.711 0.000 -1.867) 8.909 17.469 ( 4.411 0.000 2.186) 4.924 21.219 ( -2.901 0.000 -0.789) 3.006 21.321 ( -0.878 0.000 -4.754) 4.835 21.398 ( -4.541 0.000 2.689) 5.277 21.875 ( 5.071 0.000 -0.909) 5.152 22.149 ( -1.015 0.000 7.320) 7.390 22.292 ( -3.919 0.000 17.859) 18.284 22.293 ( -0.883 0.000 -2.449) 2.603 22.746 ( 3.787 0.000 1.003) 3.917 22.862 ( -1.748 0.000 0.884) 1.958 23.020 ( -1.344 0.000 -5.109) 5.283 23.164 ( 0.951 0.000 2.636) 2.802 23.220 ( 2.398 0.000 0.917) 2.567 23.610 ( -7.493 0.000 -0.599) 7.517 23.764 ( -2.841 0.000 -16.086) 16.335 23.824 ( -9.210 0.000 -3.176) 9.742 24.231 ( -2.943 0.000 0.199) 2.950 24.477 ( -5.178 0.000 -2.176) 5.617 24.527 ( 2.796 0.000 -2.080) 3.485 24.630 ( 12.608 0.000 -0.274) 12.611 24.954 ( -2.934 0.000 2.750) 4.021 25.285 ( 0.979 0.000 13.273) 13.309 25.430 ( 8.778 0.000 -3.507) 9.453 25.522 ( 6.459 0.000 -2.057) 6.779 26.266 ( 13.023 0.000 0.236) 13.025 27.216 ( -3.668 0.000 0.717) 3.738 27.220 ( -4.524 0.000 -0.895) 4.612 27.305 ( -4.766 0.000 0.492) 4.791 27.500 ( -0.217 0.000 -2.115) 2.126 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -26.066 0.000 11.292) 28.406 0.717 ( -26.704 0.000 13.065) 29.729 1.226 ( -44.226 0.000 21.030) 48.972 1.763 ( 1.281 0.000 -11.527) 11.598 1.956 ( 2.057 0.000 0.490) 2.115 1.966 ( 1.071 0.000 0.333) 1.122 2.123 ( -1.904 0.000 3.437) 3.929 2.142 ( -2.208 0.000 -0.759) 2.334 2.207 ( 1.164 0.000 4.532) 4.679 2.332 ( -2.554 0.000 -1.239) 2.839 2.450 ( -4.597 0.000 -2.718) 5.340 2.515 ( -3.587 0.000 0.067) 3.587 2.570 ( -2.553 0.000 -5.845) 6.378 2.628 ( -3.377 0.000 4.449) 5.586 2.691 ( -3.613 0.000 -1.805) 4.039 2.704 ( -8.741 0.000 -0.506) 8.756 2.788 ( -2.345 0.000 -1.265) 2.664 2.954 ( 0.689 0.000 9.383) 9.408 2.964 ( 0.480 0.000 2.596) 2.640 3.034 ( -0.955 0.000 -0.156) 0.967 3.098 ( -1.534 0.000 -2.331) 2.791 3.121 ( -4.609 0.000 0.500) 4.636 3.164 ( -1.063 0.000 0.937) 1.417 3.196 ( 0.501 0.000 -3.403) 3.439 3.264 ( -1.404 0.000 0.651) 1.547 3.325 ( 2.608 0.000 -0.955) 2.778 3.483 ( 9.233 0.000 0.812) 9.269 3.613 ( -3.031 0.000 -0.697) 3.110 3.635 ( 1.636 0.000 2.667) 3.128 3.656 ( 0.247 0.000 3.729) 3.737 3.682 ( -4.896 0.000 -7.534) 8.985 3.869 ( -3.468 0.000 -2.573) 4.319 3.884 ( 2.649 0.000 7.901) 8.333 4.065 ( -1.796 0.000 -8.348) 8.539 4.127 ( 0.136 0.000 -0.187) 0.232 4.270 ( 2.269 0.000 2.653) 3.491 4.337 ( 4.553 0.000 2.978) 5.441 4.483 ( -1.299 0.000 -1.042) 1.665 4.559 ( 3.558 0.000 2.138) 4.151 4.637 ( 1.797 0.000 -2.068) 2.740 4.683 ( 6.906 0.000 -2.289) 7.275 4.794 ( 2.035 0.000 -3.490) 4.040 4.901 ( 2.728 0.000 -0.260) 2.740 5.020 ( 7.306 0.000 -3.646) 8.166 5.138 ( -2.058 0.000 -6.785) 7.090 5.193 ( -3.321 0.000 -3.081) 4.530 5.253 ( -0.908 0.000 0.681) 1.135 5.301 ( -2.534 0.000 8.112) 8.499 5.402 ( 2.915 0.000 -5.070) 5.849 5.451 ( 4.604 0.000 1.083) 4.730 5.532 ( 1.585 0.000 -0.245) 1.603 5.610 ( -2.557 0.000 -3.599) 4.415 5.960 ( 4.205 0.000 -3.398) 5.406 5.963 ( -10.718 0.000 -10.011) 14.666 6.077 ( 4.163 0.000 5.675) 7.038 6.134 ( -0.509 0.000 -2.466) 2.518 6.306 ( 0.055 0.000 3.769) 3.769 6.522 ( 2.662 0.000 1.356) 2.987 6.647 ( 3.133 0.000 5.107) 5.991 6.707 ( -5.197 0.000 0.966) 5.286 7.017 ( 5.047 0.000 -5.168) 7.223 7.055 ( 9.130 0.000 0.926) 9.177 7.240 ( 11.623 0.000 -4.238) 12.372 7.320 ( 4.700 0.000 7.249) 8.640 7.397 ( 2.158 0.000 -3.124) 3.797 7.512 ( 9.014 0.000 -1.483) 9.135 7.677 ( 0.215 0.000 -2.237) 2.247 7.802 ( -6.378 0.000 12.371) 13.918 7.906 ( -0.075 0.000 -0.917) 0.920 7.989 ( 3.875 0.000 -1.363) 4.107 8.116 ( -6.082 0.000 5.509) 8.206 8.184 ( 7.900 0.000 7.215) 10.699 8.319 ( -0.245 0.000 5.260) 5.266 8.435 ( 3.722 0.000 -1.883) 4.172 8.660 ( -10.203 0.000 12.037) 15.779 8.687 ( -1.967 0.000 6.858) 7.134 8.832 ( 3.418 0.000 2.142) 4.034 8.865 ( -0.631 0.000 -0.867) 1.072 9.051 ( -4.542 0.000 -0.464) 4.565 9.105 ( -6.009 0.000 1.495) 6.192 9.280 ( 0.324 0.000 -6.446) 6.454 9.311 ( -9.576 0.000 4.388) 10.533 9.387 ( -1.041 0.000 -3.650) 3.796 9.630 ( 3.852 0.000 4.200) 5.699 9.710 ( 7.270 0.000 -6.196) 9.552 9.719 ( 3.066 0.000 4.082) 5.105 9.800 ( 0.604 0.000 2.140) 2.223 9.896 ( 4.356 0.000 -2.763) 5.159 10.146 ( 2.101 0.000 1.679) 2.689 10.243 ( -2.146 0.000 0.459) 2.195 10.273 ( 3.238 0.000 -3.351) 4.659 10.489 ( -3.832 0.000 5.028) 6.322 10.497 ( -2.212 0.000 3.496) 4.137 10.512 ( -3.881 0.000 -2.405) 4.566 10.719 ( -2.209 0.000 7.218) 7.548 10.864 ( -5.102 0.000 7.733) 9.265 10.885 ( 7.272 0.000 -4.078) 8.337 11.020 ( 1.400 0.000 -7.069) 7.206 11.022 ( 10.798 0.000 -1.117) 10.856 11.106 ( 5.752 0.000 -3.679) 6.828 11.192 ( -3.317 0.000 -2.877) 4.391 11.239 ( 11.065 0.000 -2.274) 11.296 11.274 ( 6.064 0.000 -6.159) 8.643 11.449 ( -3.017 0.000 -1.830) 3.529 11.544 ( -3.065 0.000 4.431) 5.388 11.657 ( -8.786 0.000 -1.073) 8.851 11.745 ( -0.616 0.000 5.587) 5.621 11.780 ( -9.525 0.000 6.737) 11.666 11.892 ( -2.520 0.000 -1.130) 2.762 12.037 ( 0.793 0.000 3.414) 3.505 12.143 ( -7.177 0.000 -5.189) 8.857 12.180 ( -1.702 0.000 -5.954) 6.192 12.250 ( -0.886 0.000 -2.268) 2.435 12.317 ( -9.559 0.000 2.173) 9.803 12.423 ( 4.714 0.000 -10.459) 11.472 12.426 ( -7.553 0.000 -4.356) 8.720 12.504 ( -3.463 0.000 1.643) 3.833 12.632 ( -7.161 0.000 0.379) 7.171 12.791 ( -0.880 0.000 4.901) 4.980 12.833 ( -7.378 0.000 -14.507) 16.276 12.933 ( 0.217 0.000 4.253) 4.258 13.110 ( -11.340 0.000 1.445) 11.432 13.235 ( -7.652 0.000 -5.404) 9.368 13.344 ( 0.153 0.000 -2.009) 2.015 13.399 ( 0.925 0.000 -6.060) 6.130 13.542 ( 0.848 0.000 1.144) 1.424 13.552 ( -4.142 0.000 4.116) 5.839 13.635 ( -23.934 0.000 -20.579) 31.565 13.692 ( -3.250 0.000 -0.534) 3.293 13.941 ( 4.763 0.000 -6.015) 7.673 14.113 ( 1.496 0.000 1.272) 1.964 14.547 ( 3.201 0.000 -3.873) 5.024 14.618 ( 5.181 0.000 2.624) 5.807 14.837 ( -11.042 0.000 -20.155) 22.981 14.877 ( -1.030 0.000 -0.841) 1.330 14.886 ( -2.110 0.000 -1.544) 2.615 15.040 ( -11.490 0.000 -12.567) 17.028 15.139 ( -2.413 0.000 -0.216) 2.423 15.384 ( -4.838 0.000 1.969) 5.224 15.505 ( -7.227 0.000 -7.548) 10.450 15.706 ( 3.748 0.000 1.720) 4.124 15.778 ( 6.576 0.000 6.688) 9.379 15.848 ( 6.480 0.000 -2.322) 6.883 16.057 ( 5.015 0.000 1.448) 5.220 16.601 ( 1.080 0.000 -1.766) 2.070 16.736 ( 14.317 0.000 18.123) 23.096 16.885 ( -0.724 0.000 3.786) 3.854 17.212 ( 8.204 0.000 2.067) 8.461 17.401 ( 8.421 0.000 -1.406) 8.538 17.431 ( 8.668 0.000 7.137) 11.229 17.483 ( 3.747 0.000 -3.129) 4.882 17.594 ( 4.839 0.000 2.635) 5.510 21.156 ( -2.070 0.000 -1.547) 2.584 21.281 ( 0.017 0.000 -3.487) 3.487 21.327 ( -3.609 0.000 1.494) 3.906 21.868 ( -6.577 0.000 -23.310) 24.221 22.159 ( -2.402 0.000 7.786) 8.148 22.214 ( -13.194 0.000 -7.207) 15.034 22.271 ( 0.085 0.000 -2.114) 2.115 22.775 ( 0.340 0.000 -5.044) 5.055 22.844 ( -1.174 0.000 1.889) 2.224 23.000 ( 1.561 0.000 -0.933) 1.819 23.176 ( -0.184 0.000 0.842) 0.862 23.242 ( 0.303 0.000 -3.469) 3.482 23.507 ( -4.150 0.000 4.848) 6.381 23.561 ( -5.362 0.000 -1.190) 5.492 24.028 ( 27.446 0.000 38.757) 47.491 24.195 ( -1.286 0.000 3.500) 3.729 24.391 ( -1.392 0.000 -1.005) 1.717 24.571 ( 2.757 0.000 -1.606) 3.191 24.843 ( 7.764 0.000 -1.838) 7.978 24.926 ( 0.056 0.000 4.550) 4.550 25.236 ( -4.908 0.000 3.540) 6.051 25.652 ( 6.202 0.000 -1.375) 6.353 25.744 ( 15.058 0.000 12.174) 19.363 26.481 ( 7.372 0.000 0.192) 7.374 27.130 ( -3.379 0.000 -0.383) 3.400 27.143 ( -3.205 0.000 0.267) 3.216 27.206 ( -4.497 0.000 -0.246) 4.503 27.439 ( -4.740 0.000 -7.888) 9.203 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -3.797 19.635 16.493) 25.923 0.847 ( 5.922 21.992 18.584) 29.395 1.437 ( 4.444 37.134 24.636) 44.784 1.792 ( 5.305 1.481 -6.483) 8.507 1.902 ( -4.694 -3.285 -8.001) 9.841 1.921 ( 1.990 -9.872 3.537) 10.673 1.997 ( -0.991 -2.924 2.646) 4.066 2.213 ( -0.829 0.750 1.092) 1.563 2.225 ( 1.715 1.991 1.346) 2.953 2.304 ( -0.240 -1.075 2.343) 2.589 2.376 ( 0.692 -5.218 -1.026) 5.362 2.454 ( -0.897 -4.690 2.036) 5.191 2.495 ( -0.532 3.258 -7.970) 8.626 2.556 ( 1.688 -0.261 -0.925) 1.942 2.594 ( -3.015 3.784 -1.494) 5.064 2.655 ( -1.695 -0.283 0.936) 1.957 2.715 ( 1.298 -2.951 1.095) 3.405 2.932 ( 1.375 -3.058 3.129) 4.586 2.987 ( 0.301 -1.802 1.694) 2.492 3.034 ( 0.328 -4.070 7.792) 8.797 3.098 ( -1.956 4.413 -3.717) 6.092 3.142 ( 0.321 5.384 -1.463) 5.589 3.200 ( 1.051 2.843 0.028) 3.031 3.284 ( -1.976 1.000 -2.796) 3.567 3.309 ( 2.003 2.991 -0.640) 3.656 3.377 ( 0.903 6.002 2.744) 6.661 3.513 ( -3.590 0.928 -3.360) 5.004 3.580 ( 0.446 -2.293 1.871) 2.993 3.657 ( 0.384 -2.826 0.102) 2.854 3.680 ( 3.090 0.473 -2.802) 4.198 3.719 ( 1.439 1.396 1.597) 2.563 3.779 ( -4.762 0.681 -2.966) 5.652 3.882 ( -0.247 -8.459 -0.765) 8.497 3.909 ( -5.060 0.820 -1.761) 5.421 4.086 ( 1.082 0.990 -2.932) 3.278 4.197 ( -0.270 -9.092 6.296) 11.063 4.295 ( -0.204 -7.277 -2.195) 7.604 4.486 ( 0.462 2.329 0.638) 2.458 4.546 ( 1.208 0.593 4.379) 4.581 4.637 ( 0.887 -1.365 2.056) 2.623 4.694 ( 2.159 1.022 0.733) 2.498 4.887 ( 2.014 -1.886 -0.987) 2.930 4.924 ( -1.691 2.988 -1.666) 3.816 5.024 ( -0.736 -0.876 -4.539) 4.681 5.101 ( 2.058 1.323 -3.554) 4.315 5.186 ( 1.588 4.267 -2.895) 5.395 5.268 ( -1.907 1.675 4.642) 5.290 5.279 ( -1.664 -1.418 0.389) 2.221 5.420 ( -0.143 2.547 0.345) 2.574 5.477 ( 0.207 0.714 -6.675) 6.716 5.560 ( 1.740 -0.528 1.426) 2.311 5.601 ( 0.857 1.683 0.373) 1.925 5.832 ( 1.888 -0.634 1.340) 2.400 5.996 ( 0.579 -2.431 -1.195) 2.770 6.129 ( 2.995 -0.963 2.105) 3.786 6.202 ( 0.919 2.356 1.030) 2.730 6.272 ( 0.132 -1.566 4.280) 4.560 6.572 ( -0.546 -5.268 1.332) 5.462 6.605 ( -0.965 0.395 -3.693) 3.837 6.668 ( -0.738 -3.939 1.527) 4.288 7.003 ( -2.895 -0.803 -3.122) 4.333 7.153 ( -1.842 -0.380 0.118) 1.884 7.204 ( -7.348 -2.928 -6.008) 9.933 7.360 ( 5.157 -6.310 -2.087) 8.412 7.542 ( 3.034 6.208 3.407) 7.704 7.561 ( -2.447 0.291 2.534) 3.535 7.807 ( 6.442 7.988 -1.017) 10.313 7.896 ( -1.191 -6.137 7.558) 9.808 8.017 ( 0.380 10.489 -4.909) 11.587 8.047 ( 0.526 0.348 5.511) 5.547 8.228 ( -2.789 2.082 -2.932) 4.551 8.281 ( -3.793 3.404 2.580) 5.713 8.375 ( -0.454 1.965 8.025) 8.274 8.506 ( -8.905 2.670 7.377) 11.868 8.672 ( -3.914 0.061 6.099) 7.247 8.692 ( 2.689 0.139 -4.693) 5.410 8.779 ( -3.149 1.870 -3.440) 5.024 8.891 ( -4.013 1.026 2.945) 5.083 8.983 ( -4.130 2.541 -8.606) 9.878 9.136 ( -6.129 6.182 -8.243) 11.989 9.190 ( 5.116 3.214 -6.825) 9.115 9.400 ( -5.872 3.628 -2.372) 7.298 9.442 ( 13.020 0.484 1.174) 13.082 9.624 ( 9.521 -5.345 -6.525) 12.719 9.753 ( 5.629 -8.120 6.908) 12.056 9.820 ( 1.655 1.818 3.304) 4.118 9.915 ( 6.488 -2.189 3.276) 7.590 10.015 ( 13.455 0.057 -0.903) 13.486 10.099 ( -19.612 -2.289 5.029) 20.376 10.203 ( -4.999 -1.228 -1.067) 5.257 10.303 ( -4.849 6.187 1.975) 8.105 10.437 ( 4.575 -3.399 4.041) 6.987 10.453 ( -1.912 -1.577 1.857) 3.097 10.516 ( -8.329 4.121 -4.950) 10.529 10.619 ( 0.108 2.186 7.315) 7.636 10.696 ( 3.002 0.675 1.618) 3.477 10.866 ( -8.372 3.974 4.155) 10.156 10.962 ( 1.059 0.129 -4.046) 4.184 11.084 ( -6.566 -5.737 -6.243) 10.724 11.153 ( -0.064 -0.769 -3.402) 3.488 11.240 ( 5.540 4.758 -1.373) 7.430 11.256 ( -0.679 -4.272 -0.368) 4.342 11.280 ( -4.060 -5.193 -4.646) 8.064 11.366 ( 3.491 -1.937 -7.331) 8.347 11.483 ( 7.537 -12.149 6.330) 15.636 11.514 ( -6.183 -2.087 -4.018) 7.663 11.620 ( -2.733 -5.889 1.154) 6.594 11.689 ( 1.959 6.618 1.949) 7.172 11.777 ( -1.337 1.186 2.080) 2.742 11.943 ( -3.070 -1.030 3.783) 4.979 12.045 ( 2.684 -1.562 -0.360) 3.126 12.112 ( -0.748 -8.484 -0.934) 8.568 12.136 ( 0.386 0.898 1.304) 1.630 12.212 ( 4.358 -0.966 -1.291) 4.646 12.280 ( 2.492 0.613 -2.934) 3.898 12.354 ( -0.940 0.531 1.302) 1.691 12.476 ( 8.340 0.263 4.792) 9.622 12.606 ( 5.043 -1.045 -5.117) 7.260 12.672 ( 2.733 -3.421 -3.418) 5.555 12.720 ( -4.530 -2.364 -1.757) 5.403 12.758 ( 1.316 7.071 0.984) 7.259 13.000 ( -2.580 6.674 -3.718) 8.064 13.142 ( -1.631 0.839 -4.090) 4.482 13.282 ( -3.599 -2.686 -1.945) 4.894 13.370 ( 3.584 2.811 -3.436) 5.705 13.397 ( -2.052 0.972 -1.291) 2.612 13.513 ( 0.561 -5.533 0.348) 5.572 13.541 ( -3.703 -2.859 0.453) 4.700 13.759 ( 2.628 7.013 -2.886) 8.026 14.109 ( 5.111 3.718 0.717) 6.361 14.167 ( 3.047 0.964 7.110) 7.795 14.493 ( 3.151 -8.443 4.294) 9.982 14.655 ( -3.429 9.623 -1.076) 10.272 14.716 ( -7.294 -2.772 -2.029) 8.063 14.799 ( 4.530 2.586 -8.698) 10.142 14.899 ( 2.247 -1.207 -3.356) 4.215 14.958 ( 4.149 2.852 -1.656) 5.300 15.167 ( -1.652 1.753 -3.914) 4.596 15.226 ( -2.160 -1.157 5.210) 5.758 15.529 ( 0.370 -6.511 -2.158) 6.869 15.749 ( 0.335 10.100 -0.647) 10.127 15.912 ( -2.552 4.930 -6.614) 8.635 15.958 ( -1.282 5.992 5.258) 8.075 16.202 ( 2.571 0.755 3.256) 4.217 16.528 ( -0.042 -5.893 6.682) 8.909 16.820 ( 1.160 -4.944 4.205) 6.593 16.967 ( 0.411 -1.861 11.262) 11.422 17.318 ( -0.104 -2.245 1.857) 2.915 17.343 ( -0.350 -7.706 2.912) 8.246 17.472 ( -0.095 -3.174 -1.826) 3.663 17.583 ( 0.539 3.094 -0.202) 3.147 17.694 ( -1.241 0.258 -1.868) 2.257 21.027 ( -6.380 -0.404 2.359) 6.814 21.141 ( 0.748 0.846 -1.821) 2.143 21.256 ( 1.044 -3.428 -0.396) 3.605 21.332 ( -3.364 -0.882 -3.477) 4.917 22.084 ( -2.304 1.303 2.917) 3.939 22.150 ( -1.280 -1.175 5.977) 6.225 22.347 ( 0.965 6.609 0.111) 6.680 22.722 ( 0.679 -2.251 -5.306) 5.804 22.914 ( 0.870 6.499 3.128) 7.265 23.182 ( -0.353 2.132 -1.021) 2.390 23.208 ( 0.954 6.211 -2.214) 6.662 23.371 ( -3.909 7.030 -9.293) 12.291 23.470 ( 0.467 0.636 2.488) 2.610 23.545 ( -0.344 1.680 -2.426) 2.971 24.234 ( 1.519 -0.554 6.074) 6.286 24.362 ( 1.952 -2.906 1.776) 3.926 24.549 ( 1.624 -2.070 -3.957) 4.752 24.660 ( -0.072 -0.549 -2.883) 2.935 24.829 ( -2.145 -2.965 -3.266) 4.905 25.010 ( -0.444 -6.096 -9.100) 10.962 25.363 ( 6.137 -3.233 9.592) 11.838 25.538 ( 0.632 -10.762 2.157) 10.995 26.266 ( 2.470 7.881 12.400) 14.899 26.796 ( 5.864 2.304 -8.828) 10.845 27.095 ( -2.915 -0.101 0.395) 2.943 27.098 ( -0.285 -0.203 0.546) 0.649 27.118 ( -0.443 0.399 -0.200) 0.629 27.172 ( -1.117 0.320 -2.530) 2.784 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 15.698 13.978 12.336) 24.372 1.240 ( 17.662 15.640 16.157) 28.593 1.681 ( 0.515 -1.870 -8.512) 8.730 1.871 ( 4.376 0.703 -4.799) 6.533 1.944 ( 10.437 11.992 7.080) 17.403 2.015 ( 8.718 -1.077 -4.302) 9.781 2.065 ( 9.610 6.198 15.325) 19.122 2.193 ( -2.869 -1.393 3.885) 5.027 2.219 ( 0.113 -1.788 -0.840) 1.979 2.277 ( -2.779 2.549 -0.559) 3.812 2.412 ( 0.441 6.350 -3.636) 7.331 2.457 ( 3.746 -6.972 1.453) 8.047 2.524 ( -0.684 -0.377 -2.771) 2.879 2.548 ( 5.708 -0.926 0.959) 5.862 2.618 ( 3.355 -2.199 -0.941) 4.121 2.681 ( 3.551 -1.191 4.377) 5.760 2.840 ( 7.581 0.045 1.629) 7.754 2.937 ( -1.780 2.872 0.448) 3.409 3.005 ( -1.841 -0.194 -0.530) 1.926 3.019 ( 0.507 -5.167 1.117) 5.311 3.099 ( 0.952 -0.526 -5.434) 5.542 3.148 ( 0.714 -4.545 5.016) 6.807 3.245 ( 1.574 3.135 -0.085) 3.509 3.262 ( 3.015 4.330 0.798) 5.337 3.313 ( -4.304 -2.686 -2.172) 5.519 3.418 ( 2.089 3.254 1.109) 4.022 3.422 ( 0.358 5.652 0.552) 5.690 3.566 ( -1.803 -2.017 -2.422) 3.631 3.601 ( -4.601 1.673 1.311) 5.068 3.662 ( -0.595 -1.722 -1.302) 2.240 3.690 ( -2.783 -0.111 -3.467) 4.447 3.779 ( 1.655 0.879 2.990) 3.529 3.866 ( 1.312 -2.703 -5.343) 6.130 3.900 ( 4.470 4.724 -1.851) 6.762 4.117 ( 1.388 0.285 0.350) 1.459 4.240 ( -2.015 -5.564 4.753) 7.590 4.279 ( 1.405 -3.569 -1.792) 4.234 4.469 ( -1.447 -2.140 -2.531) 3.616 4.589 ( -0.943 -0.086 0.729) 1.195 4.669 ( -1.237 -0.802 2.386) 2.804 4.707 ( -3.863 -0.384 3.153) 5.002 4.808 ( -6.815 2.663 -2.601) 7.765 4.892 ( -1.884 -1.791 0.631) 2.675 5.000 ( 0.208 -1.953 -3.334) 3.870 5.087 ( 0.234 3.029 -3.870) 4.920 5.150 ( -3.199 0.147 -3.957) 5.090 5.248 ( -2.408 1.806 -0.518) 3.054 5.321 ( 2.979 -1.765 0.772) 3.548 5.414 ( -1.604 1.269 -5.818) 6.167 5.469 ( 5.382 4.211 3.622) 7.734 5.574 ( -1.717 -0.398 0.320) 1.792 5.628 ( 1.180 2.161 0.156) 2.467 5.951 ( 8.000 -3.089 -3.166) 9.141 6.019 ( 2.447 0.535 -1.000) 2.698 6.085 ( -3.688 1.387 2.994) 4.949 6.267 ( 2.277 0.036 3.490) 4.167 6.353 ( 3.066 -2.197 3.479) 5.131 6.502 ( -4.550 -1.216 -5.956) 7.593 6.554 ( -1.434 -4.053 -0.423) 4.320 6.649 ( -3.008 -5.514 2.195) 6.654 6.857 ( -8.264 -0.482 -0.749) 8.312 7.014 ( -6.269 -1.643 -5.297) 8.370 7.077 ( -1.070 4.946 -2.846) 5.806 7.294 ( -9.439 -4.217 0.805) 10.370 7.551 ( -2.750 8.074 1.849) 8.728 7.661 ( 3.825 -1.221 0.141) 4.018 7.744 ( -10.565 12.390 -4.238) 16.825 7.908 ( -4.870 5.957 1.151) 7.779 7.952 ( -1.893 -1.706 10.133) 10.448 8.042 ( -2.729 2.888 -5.861) 7.081 8.200 ( 7.468 -3.137 4.242) 9.144 8.257 ( 0.343 1.638 4.097) 4.425 8.333 ( -5.627 4.698 -1.979) 7.592 8.485 ( 2.714 6.408 7.116) 9.953 8.630 ( -2.157 1.072 8.924) 9.244 8.655 ( -10.703 -1.084 5.720) 12.184 8.738 ( 4.376 -2.339 0.402) 4.978 8.813 ( 3.906 1.806 -0.380) 4.320 8.917 ( -3.908 3.302 -1.214) 5.259 9.028 ( 1.577 2.558 -5.368) 6.152 9.146 ( -3.630 5.143 -4.054) 7.487 9.287 ( -3.475 3.016 -3.009) 5.498 9.483 ( -3.571 -0.324 -1.737) 3.984 9.694 ( -3.094 -1.198 6.995) 7.742 9.799 ( -1.566 -10.207 -0.351) 10.332 9.864 ( 1.395 0.697 2.997) 3.378 9.921 ( -2.657 -5.075 5.611) 8.019 10.022 ( 0.485 -1.099 0.603) 1.343 10.210 ( 1.965 0.595 -1.470) 2.526 10.233 ( 1.172 2.495 1.422) 3.102 10.290 ( -1.372 2.094 -1.321) 2.831 10.404 ( 5.826 0.722 -2.558) 6.404 10.538 ( -2.754 1.004 7.274) 7.842 10.591 ( 11.144 -2.568 -1.151) 11.494 10.653 ( -0.868 1.416 5.862) 6.093 10.738 ( -4.875 0.229 -1.289) 5.048 10.821 ( 1.614 1.727 -2.795) 3.661 10.926 ( 2.470 0.377 5.890) 6.398 11.041 ( -3.075 -3.165 -10.067) 10.992 11.085 ( -0.967 1.086 -6.475) 6.637 11.135 ( 0.295 -5.126 -1.839) 5.454 11.213 ( 4.152 2.016 -2.081) 5.063 11.276 ( -6.106 0.301 1.909) 6.404 11.369 ( 2.646 -4.744 0.681) 5.474 11.474 ( 4.417 0.608 -2.151) 4.950 11.584 ( 1.163 2.608 -1.057) 3.045 11.677 ( -1.005 -8.227 0.985) 8.346 11.710 ( 4.191 -1.304 -5.233) 6.830 11.772 ( 0.464 -4.384 1.976) 4.831 11.890 ( 3.344 -2.972 0.374) 4.489 12.149 ( -0.267 -0.912 2.075) 2.282 12.197 ( 8.912 -6.228 -3.211) 11.336 12.234 ( 4.950 -0.866 -2.499) 5.612 12.298 ( 2.605 -0.683 0.321) 2.712 12.383 ( 2.422 -1.536 -2.014) 3.505 12.443 ( 11.047 -4.405 1.013) 11.936 12.549 ( 0.963 5.972 -6.841) 9.132 12.690 ( 7.523 1.578 -0.019) 7.687 12.783 ( 8.435 0.372 4.776) 9.700 12.895 ( 0.426 3.047 -8.859) 9.378 12.952 ( 12.020 -0.697 0.053) 12.040 12.981 ( 19.086 -4.965 1.137) 19.754 13.076 ( -0.500 2.302 -3.688) 4.376 13.211 ( -1.819 -1.280 -0.750) 2.347 13.334 ( -1.529 0.431 -3.929) 4.238 13.408 ( -2.008 -1.686 -0.551) 2.679 13.500 ( 8.165 -4.528 -1.525) 9.460 13.640 ( 5.610 -9.259 -0.876) 10.862 13.835 ( 6.025 6.997 0.971) 9.285 14.193 ( 3.533 -1.860 -1.993) 4.463 14.294 ( 3.580 5.117 8.545) 10.584 14.484 ( -5.414 -6.546 -4.163) 9.460 14.608 ( -3.921 4.666 -1.729) 6.335 14.622 ( 0.325 2.323 3.330) 4.074 14.740 ( 1.626 2.683 -11.022) 11.460 14.978 ( -0.349 5.036 -0.992) 5.145 15.089 ( 12.790 1.235 -3.503) 13.319 15.174 ( 4.345 -7.060 -1.355) 8.400 15.243 ( -0.875 -1.989 5.290) 5.719 15.483 ( -1.867 -7.690 -4.600) 9.154 15.766 ( -2.412 7.492 1.802) 8.075 15.779 ( -5.414 3.888 -2.458) 7.105 15.903 ( -5.622 7.549 4.052) 10.248 16.193 ( -4.422 1.014 -0.977) 4.641 16.536 ( -4.121 -4.850 6.288) 8.947 16.783 ( -3.811 2.072 -0.460) 4.362 17.004 ( -3.793 -1.663 11.653) 12.367 17.238 ( -7.357 -4.972 -0.282) 8.884 17.295 ( -6.644 -3.183 2.618) 7.819 17.426 ( -2.976 -2.173 -2.499) 4.453 17.528 ( -5.483 1.403 0.869) 5.726 17.575 ( -7.920 0.953 -0.673) 8.005 21.058 ( 6.776 1.360 -1.712) 7.120 21.174 ( 2.831 0.268 -0.630) 2.913 21.270 ( 1.748 -2.394 -2.090) 3.627 21.346 ( 4.289 -2.949 -0.221) 5.210 22.070 ( -1.122 1.384 3.172) 3.638 22.176 ( 0.028 -1.822 5.544) 5.835 22.384 ( 2.255 7.296 1.387) 7.762 22.697 ( 0.245 0.698 -6.328) 6.371 22.954 ( 0.730 9.645 2.963) 10.117 23.154 ( -1.396 2.154 -1.776) 3.121 23.195 ( -0.442 9.506 -3.147) 10.023 23.271 ( -0.421 5.039 -4.389) 6.696 23.507 ( 1.738 0.204 1.770) 2.488 23.618 ( 6.913 -4.906 2.254) 8.772 24.323 ( 1.573 -3.373 8.286) 9.084 24.406 ( 0.486 -5.615 1.233) 5.769 24.505 ( -2.756 -0.207 -3.173) 4.208 24.609 ( -2.865 -0.491 1.033) 3.085 24.725 ( -5.670 -3.507 -4.361) 7.967 24.885 ( -2.812 -6.092 -11.796) 13.571 25.342 ( -10.004 -0.447 9.965) 14.128 25.489 ( -4.256 -7.289 1.122) 8.515 26.222 ( -12.461 8.106 11.218) 18.623 26.532 ( -16.758 6.189 -3.655) 18.234 27.135 ( 2.710 0.244 -0.256) 2.733 27.152 ( 4.016 -0.215 0.602) 4.066 27.200 ( 5.498 -1.192 0.112) 5.627 27.268 ( 9.127 -3.149 -5.141) 10.938 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 19.589 8.717 6.638) 22.445 1.657 ( 9.655 5.987 -2.174) 11.566 1.729 ( 14.231 3.054 8.356) 16.783 1.905 ( 0.849 1.397 -0.076) 1.636 1.972 ( 0.529 2.461 -6.259) 6.746 2.119 ( 0.608 -1.748 -3.935) 4.348 2.165 ( -0.274 -4.312 3.425) 5.514 2.218 ( 1.806 -1.255 -0.008) 2.199 2.273 ( 4.890 -2.422 -0.147) 5.459 2.390 ( -0.298 3.096 -2.788) 4.177 2.396 ( 3.928 -0.860 -0.691) 4.080 2.534 ( 0.715 5.228 -1.009) 5.372 2.579 ( 3.020 -0.564 0.618) 3.134 2.676 ( 3.259 -1.467 6.289) 7.233 2.696 ( 6.424 -7.779 1.360) 10.180 2.802 ( -2.155 -2.996 2.858) 4.668 2.868 ( -2.114 -0.195 -0.390) 2.158 2.954 ( 1.502 2.997 -0.301) 3.366 3.006 ( 3.554 1.155 2.757) 4.644 3.036 ( -1.470 -2.267 -0.294) 2.717 3.123 ( 3.875 4.107 4.190) 7.031 3.172 ( 2.019 0.259 -3.041) 3.659 3.228 ( 6.941 -1.527 0.032) 7.107 3.314 ( 1.037 2.652 -0.038) 2.848 3.344 ( 5.823 0.439 0.239) 5.844 3.387 ( -2.477 1.567 -3.691) 4.714 3.509 ( 0.059 -1.145 4.690) 4.828 3.575 ( -0.048 3.507 -0.548) 3.550 3.608 ( 7.973 1.685 5.281) 9.710 3.649 ( 4.299 1.538 -0.208) 4.571 3.693 ( 2.703 2.433 1.095) 3.798 3.810 ( 1.653 0.641 -2.725) 3.251 3.885 ( 4.360 0.428 -6.352) 7.716 3.969 ( 1.165 2.300 0.852) 2.716 4.096 ( -2.727 0.179 -0.079) 2.734 4.211 ( -1.829 3.778 0.844) 4.282 4.261 ( -4.547 -3.549 0.039) 5.768 4.430 ( -1.309 -2.471 -1.762) 3.305 4.514 ( -5.219 -2.610 1.411) 6.004 4.561 ( -9.355 0.165 -0.007) 9.356 4.628 ( -6.344 1.009 1.382) 6.571 4.669 ( -4.844 0.536 2.026) 5.277 4.815 ( -4.888 1.332 2.077) 5.475 4.916 ( -5.566 -2.113 -3.166) 6.743 5.038 ( -4.826 0.977 -5.932) 7.710 5.088 ( -1.224 -0.415 -2.078) 2.447 5.184 ( -1.411 -0.579 -5.552) 5.758 5.328 ( 2.330 -3.385 -2.013) 4.577 5.424 ( 0.473 0.599 4.214) 4.283 5.503 ( -4.055 -0.332 -1.657) 4.393 5.620 ( 3.661 3.443 4.621) 6.827 5.639 ( 1.712 5.259 -1.991) 5.878 5.939 ( -0.804 0.601 -0.991) 1.411 6.035 ( -0.704 4.465 0.676) 4.571 6.231 ( 8.865 -3.715 -1.430) 9.718 6.316 ( 2.033 0.565 2.717) 3.440 6.391 ( -2.683 2.159 -1.943) 3.954 6.414 ( 1.908 -3.117 -3.676) 5.184 6.502 ( -4.648 -3.905 2.957) 6.752 6.566 ( -5.115 0.179 -0.731) 5.170 6.803 ( 3.285 0.374 -0.319) 3.322 6.906 ( -1.933 -0.686 -2.003) 2.867 7.053 ( 0.280 1.837 -0.736) 1.999 7.116 ( -9.165 0.681 0.774) 9.223 7.441 ( -5.895 9.585 -1.583) 11.364 7.495 ( -2.450 9.120 -1.907) 9.634 7.660 ( -8.436 2.922 -4.514) 10.004 7.862 ( 4.923 1.130 3.540) 6.168 8.002 ( -0.999 2.746 5.053) 5.837 8.091 ( 1.368 -3.931 -0.548) 4.198 8.219 ( -1.471 4.102 -2.149) 4.858 8.242 ( -2.298 1.945 4.669) 5.556 8.382 ( 2.693 -3.675 -2.264) 5.087 8.527 ( 1.211 0.622 2.275) 2.651 8.615 ( 1.967 -0.324 5.113) 5.488 8.714 ( 2.151 4.221 8.003) 9.300 8.826 ( -1.844 -0.722 4.618) 5.025 8.845 ( 2.465 -3.545 3.528) 5.576 8.900 ( 4.181 1.258 1.539) 4.630 9.049 ( -2.700 1.587 -1.364) 3.416 9.070 ( 2.216 -0.458 -2.919) 3.693 9.247 ( 1.654 0.239 -2.383) 2.910 9.385 ( -3.308 1.237 -2.810) 4.513 9.593 ( -8.702 0.534 4.725) 9.916 9.715 ( -4.949 -8.395 -0.300) 9.750 9.830 ( -7.661 -3.718 5.036) 9.893 9.922 ( -0.737 -5.177 -1.246) 5.376 9.954 ( -5.980 -0.072 2.920) 6.655 10.146 ( -4.660 5.318 1.929) 7.329 10.253 ( -3.896 1.300 1.010) 4.230 10.300 ( 2.842 3.799 -0.839) 4.818 10.437 ( 4.030 4.595 -4.197) 7.414 10.555 ( -4.214 -2.793 -1.833) 5.378 10.603 ( -5.186 -1.205 -1.482) 5.527 10.625 ( 3.790 4.540 1.417) 6.081 10.792 ( 4.008 -1.780 0.227) 4.391 10.840 ( -2.589 5.157 -2.921) 6.467 10.890 ( 2.237 1.096 -3.032) 3.924 11.055 ( -4.952 -5.795 2.695) 8.085 11.073 ( 3.712 -3.948 0.720) 5.467 11.159 ( 6.770 -1.232 0.155) 6.883 11.257 ( 4.015 -8.068 6.242) 10.963 11.329 ( -2.418 1.626 -7.659) 8.195 11.429 ( 9.073 1.423 -0.268) 9.188 11.559 ( -2.819 0.006 2.625) 3.852 11.580 ( 3.301 2.454 -1.394) 4.343 11.644 ( 6.991 -9.245 -5.867) 12.991 11.787 ( 3.438 4.523 4.582) 7.299 11.833 ( 1.188 -3.941 2.181) 4.658 12.035 ( 7.268 -0.261 -1.504) 7.427 12.047 ( -5.456 -2.970 -4.284) 7.546 12.298 ( 2.102 5.239 2.396) 6.133 12.329 ( 6.155 -9.280 -3.679) 11.728 12.395 ( 5.857 -1.873 -4.105) 7.394 12.470 ( 7.269 1.928 0.220) 7.524 12.562 ( 4.710 -2.532 -4.384) 6.914 12.643 ( 5.111 3.633 0.035) 6.271 12.798 ( -0.724 3.712 2.926) 4.781 12.834 ( 3.162 -1.777 2.844) 4.609 13.015 ( 1.519 -3.780 0.982) 4.190 13.105 ( 0.261 -1.366 1.252) 1.872 13.185 ( 13.446 0.008 2.544) 13.685 13.191 ( 2.097 -0.931 -1.412) 2.694 13.229 ( 8.961 1.168 -0.692) 9.063 13.279 ( 0.504 -2.328 -3.450) 4.192 13.522 ( 10.911 3.036 -2.762) 11.658 13.646 ( -2.071 -7.944 -7.252) 10.954 13.705 ( 11.508 -4.458 -2.832) 12.662 14.039 ( 10.256 -1.238 5.446) 11.678 14.233 ( 1.457 -5.071 -2.540) 5.856 14.298 ( -1.389 2.806 -3.708) 4.853 14.457 ( -4.727 2.440 -3.739) 6.502 14.498 ( 4.088 2.346 5.103) 6.946 14.666 ( 3.044 1.072 0.212) 3.234 14.776 ( 5.782 2.221 -8.040) 10.149 14.912 ( -4.138 4.833 -3.078) 7.068 15.170 ( -8.307 -1.404 -2.385) 8.756 15.266 ( 0.703 -6.657 4.255) 7.932 15.339 ( 11.570 -2.584 -0.696) 11.875 15.450 ( 2.188 -4.374 -1.822) 5.220 15.616 ( -6.274 1.996 2.758) 7.139 15.711 ( -4.875 3.386 5.150) 7.858 15.865 ( -0.681 7.747 -0.218) 7.780 16.012 ( -10.898 1.735 -5.339) 12.259 16.423 ( -9.383 -0.036 3.827) 10.133 16.730 ( -1.402 -0.942 0.800) 1.869 16.980 ( -5.397 -1.250 7.364) 9.215 17.050 ( -9.233 -2.573 -1.533) 9.706 17.139 ( -8.166 1.191 1.540) 8.395 17.327 ( -4.664 1.366 -3.468) 5.970 17.404 ( -6.021 -2.032 0.429) 6.369 17.430 ( -6.348 0.411 1.914) 6.643 21.197 ( 7.571 -0.823 -3.568) 8.410 21.227 ( 2.878 0.239 -0.872) 3.017 21.329 ( 4.335 -3.325 -0.069) 5.464 21.445 ( 4.576 -5.021 1.350) 6.926 22.076 ( -0.654 1.576 3.937) 4.291 22.216 ( 0.154 -2.079 5.756) 6.122 22.454 ( 3.521 8.342 2.270) 9.335 22.635 ( -2.271 4.206 -6.528) 8.091 22.977 ( 0.333 8.339 1.469) 8.474 23.133 ( -0.601 4.596 1.120) 4.768 23.169 ( 0.405 8.500 -3.864) 9.346 23.252 ( -0.753 2.297 0.188) 2.425 23.604 ( 7.264 -3.099 0.655) 7.925 23.804 ( 9.335 -5.701 1.915) 11.105 24.306 ( -7.427 -8.258 -3.863) 11.759 24.356 ( -4.974 -10.498 1.192) 11.677 24.464 ( -1.387 1.880 1.874) 2.995 24.548 ( -3.913 -3.162 0.064) 5.031 24.602 ( -1.943 2.860 -2.840) 4.474 24.800 ( 1.834 -1.904 -9.919) 10.265 25.203 ( -8.976 3.990 9.675) 13.787 25.456 ( 0.917 -4.232 2.490) 4.996 25.987 ( -15.914 7.649 9.438) 20.021 26.158 ( -16.694 3.331 -6.641) 18.273 27.203 ( 3.608 0.277 -0.166) 3.622 27.245 ( 4.287 -0.646 0.358) 4.350 27.305 ( 4.297 -0.768 1.036) 4.486 27.386 ( 5.365 -2.934 -3.295) 6.946 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 7.606 3.297 -0.657) 8.316 1.813 ( 8.049 2.920 0.584) 8.582 1.887 ( 1.620 -0.112 -0.792) 1.807 1.932 ( 1.394 2.371 -0.337) 2.771 2.054 ( -0.087 -3.360 -0.255) 3.371 2.112 ( 2.905 -3.630 4.774) 6.664 2.189 ( 2.652 -0.526 5.453) 6.086 2.243 ( -7.832 1.184 1.975) 8.163 2.350 ( 1.689 -3.075 1.116) 3.681 2.390 ( 8.601 1.043 -5.245) 10.127 2.477 ( 2.516 -2.207 -1.458) 3.650 2.535 ( 3.895 2.177 2.151) 4.954 2.594 ( -1.371 1.972 1.122) 2.651 2.673 ( -0.513 0.603 0.137) 0.803 2.689 ( -7.933 -2.383 0.717) 8.314 2.787 ( 0.107 -3.720 0.317) 3.735 2.842 ( 0.245 -5.624 1.470) 5.818 2.936 ( -0.387 -0.608 1.775) 1.916 2.978 ( 2.006 -3.128 -1.582) 4.038 3.067 ( 0.671 3.906 -1.831) 4.366 3.090 ( -3.441 2.251 -0.124) 4.114 3.284 ( -2.783 -1.258 -4.785) 5.677 3.356 ( 1.046 0.417 -4.349) 4.493 3.415 ( 3.339 2.468 2.146) 4.674 3.429 ( 6.327 3.656 5.991) 9.450 3.465 ( 5.675 1.782 -2.611) 6.496 3.554 ( 3.581 1.118 6.476) 7.484 3.602 ( 1.850 4.322 4.240) 6.331 3.688 ( -0.639 5.096 1.164) 5.266 3.744 ( 2.333 -1.308 -0.510) 2.723 3.832 ( 1.773 -6.103 -3.577) 7.293 3.893 ( 7.941 0.299 5.883) 9.887 3.915 ( -1.957 3.110 -1.684) 4.042 4.010 ( 3.874 2.315 2.839) 5.331 4.050 ( 2.872 2.392 -2.090) 4.282 4.108 ( -4.747 -1.093 2.176) 5.335 4.204 ( -0.614 4.004 -3.150) 5.131 4.288 ( -11.029 4.702 -0.051) 11.990 4.377 ( -4.614 6.329 -0.350) 7.840 4.456 ( -5.040 0.029 3.000) 5.866 4.516 ( -1.172 -2.232 -1.310) 2.841 4.663 ( 2.746 -3.792 1.686) 4.976 4.739 ( -5.371 -0.130 -4.326) 6.898 4.753 ( -7.175 -1.069 -1.617) 7.432 4.947 ( 1.344 3.581 -1.401) 4.073 5.059 ( -0.301 -3.484 0.645) 3.556 5.165 ( 5.071 -1.133 -5.110) 7.288 5.379 ( -0.308 -0.819 0.558) 1.037 5.400 ( -3.189 -0.041 0.579) 3.242 5.437 ( -0.181 -4.601 -0.860) 4.684 5.595 ( -3.777 1.720 1.463) 4.400 5.679 ( -2.440 2.149 1.918) 3.775 6.003 ( 2.769 4.884 1.722) 5.872 6.054 ( 6.015 3.378 -2.021) 7.189 6.286 ( 0.467 0.225 -1.624) 1.704 6.324 ( -3.593 -0.214 -1.299) 3.826 6.379 ( -2.080 3.479 -1.307) 4.260 6.403 ( 0.423 -1.186 -2.171) 2.510 6.448 ( -0.548 -1.673 5.247) 5.534 6.513 ( 2.162 0.129 -1.410) 2.584 6.884 ( 1.713 -0.009 0.967) 1.967 6.911 ( 1.843 0.732 1.814) 2.688 6.944 ( -4.804 5.782 0.377) 7.527 7.066 ( -0.247 3.068 -0.827) 3.187 7.447 ( 0.789 5.839 -4.506) 7.417 7.468 ( 5.015 4.016 -3.411) 7.274 7.545 ( 0.265 4.492 -1.953) 4.905 7.884 ( -3.657 0.750 -0.492) 3.765 8.017 ( -1.178 2.010 3.459) 4.171 8.045 ( -1.654 -0.657 -2.095) 2.749 8.186 ( -1.711 0.130 1.147) 2.064 8.228 ( -1.035 1.484 3.631) 4.057 8.374 ( -1.789 1.712 -1.978) 3.170 8.543 ( 2.218 4.881 -8.863) 10.358 8.712 ( 2.351 -7.761 6.192) 10.203 8.754 ( -7.721 -5.869 -0.493) 9.711 8.832 ( 3.313 -0.773 7.090) 7.864 8.888 ( 1.826 0.569 5.304) 5.638 8.975 ( -1.676 -2.470 2.159) 3.684 9.041 ( 0.765 0.589 3.633) 3.759 9.128 ( 6.251 -6.413 -3.781) 9.721 9.289 ( 2.753 -1.044 -0.275) 2.957 9.355 ( -1.519 3.372 2.788) 4.631 9.477 ( -0.929 2.412 -0.034) 2.585 9.634 ( -4.177 -4.056 3.733) 6.917 9.712 ( -6.124 -2.424 8.981) 11.137 9.851 ( -4.472 0.510 1.335) 4.694 9.884 ( -1.674 -4.129 -2.925) 5.330 10.086 ( -2.477 3.251 1.026) 4.214 10.187 ( -2.746 6.780 2.580) 7.757 10.325 ( 0.034 3.994 0.959) 4.108 10.460 ( 0.338 -1.608 -5.931) 6.155 10.504 ( 0.172 -2.065 0.422) 2.114 10.517 ( 0.780 -1.085 -3.997) 4.215 10.696 ( 4.394 0.035 0.300) 4.405 10.775 ( -3.463 0.664 -1.763) 3.942 10.846 ( 0.580 5.935 -4.795) 7.652 10.917 ( 0.905 2.093 0.632) 2.366 11.006 ( 1.145 -1.565 -1.943) 2.745 11.165 ( 2.361 -5.056 1.977) 5.921 11.207 ( -5.192 -4.060 -2.835) 7.175 11.234 ( -2.722 -2.218 8.662) 9.347 11.311 ( -1.447 -1.138 -1.817) 2.586 11.502 ( 5.203 -1.227 4.463) 6.964 11.649 ( 2.103 4.133 -0.446) 4.658 11.677 ( 10.234 -4.113 1.988) 11.207 11.772 ( -0.848 -3.625 -3.313) 4.984 11.809 ( -1.134 -1.525 -0.771) 2.051 11.914 ( 4.003 1.901 2.278) 4.983 11.942 ( 5.537 3.085 -2.851) 6.950 12.129 ( -0.859 -1.848 -3.418) 3.980 12.304 ( -0.517 0.880 -1.146) 1.534 12.369 ( 1.212 -0.316 -0.035) 1.253 12.498 ( 3.497 -3.669 -3.843) 6.360 12.595 ( 0.581 -4.292 4.447) 6.208 12.638 ( 5.763 -3.950 -2.830) 7.538 12.694 ( 2.359 2.811 -1.314) 3.897 12.843 ( -1.742 -3.123 -0.059) 3.577 12.869 ( 1.790 -0.245 6.589) 6.832 12.954 ( -5.792 -3.837 1.834) 7.185 13.092 ( -0.681 1.218 2.990) 3.300 13.240 ( 2.983 -2.303 -2.638) 4.600 13.278 ( 2.685 -3.194 -3.760) 5.617 13.388 ( 3.964 0.077 3.071) 5.015 13.451 ( 1.544 4.257 0.953) 4.627 13.527 ( 2.457 -4.800 -3.885) 6.646 13.708 ( 7.613 2.053 -6.616) 10.293 13.848 ( 5.121 1.717 -4.144) 6.807 14.149 ( -1.326 -0.977 -5.290) 5.540 14.261 ( 1.705 1.533 2.624) 3.485 14.312 ( 3.090 1.439 -3.721) 5.046 14.446 ( 6.521 0.875 0.127) 6.581 14.628 ( -0.704 -7.718 -1.590) 7.911 14.711 ( 0.461 3.789 4.245) 5.709 14.793 ( -2.472 0.139 -0.576) 2.542 14.864 ( -1.291 2.751 0.258) 3.050 14.931 ( 1.971 -1.962 -6.294) 6.881 15.237 ( -3.528 -4.544 0.151) 5.755 15.459 ( -0.692 -1.985 3.946) 4.471 15.577 ( -2.328 -0.126 4.969) 5.489 15.582 ( 6.995 0.075 0.971) 7.062 15.707 ( -6.088 1.278 -2.754) 6.803 15.748 ( -0.944 4.757 -2.279) 5.359 15.838 ( -0.324 0.184 -2.326) 2.355 16.272 ( -6.653 3.312 4.309) 8.591 16.702 ( -2.151 -5.097 -1.285) 5.679 16.871 ( -2.803 -0.484 -1.237) 3.102 16.918 ( -5.327 0.156 2.744) 5.995 17.046 ( -2.834 3.147 2.715) 5.031 17.230 ( -1.871 2.936 -2.147) 4.091 17.319 ( -3.808 -1.397 1.726) 4.408 17.346 ( -1.377 -0.951 -0.975) 1.936 21.260 ( 1.565 -0.261 -0.706) 1.736 21.310 ( 4.891 -0.686 -4.371) 6.596 21.407 ( 1.445 -4.093 3.208) 5.398 21.538 ( 3.613 -7.727 2.224) 8.815 22.094 ( -0.420 1.746 5.245) 5.544 22.248 ( -1.197 -1.747 6.863) 7.182 22.512 ( -2.012 8.482 -3.587) 9.426 22.578 ( 3.371 4.269 0.630) 5.476 22.982 ( -0.401 5.913 -0.187) 5.930 23.132 ( -0.342 6.292 0.542) 6.324 23.171 ( 0.989 7.596 0.334) 7.667 23.246 ( 0.235 4.741 1.521) 4.985 23.781 ( 8.673 -5.591 -1.499) 10.427 23.953 ( 0.975 -3.673 -4.617) 5.980 24.074 ( -6.208 -9.604 -6.242) 13.029 24.264 ( -5.467 -12.218 6.547) 14.901 24.426 ( -0.338 0.493 -2.125) 2.208 24.501 ( -1.190 -3.765 -0.277) 3.958 24.540 ( -2.285 5.805 -6.853) 9.267 24.830 ( 5.685 -1.067 -7.483) 9.458 25.126 ( -4.641 8.740 9.823) 13.943 25.543 ( 2.643 -1.785 4.767) 5.736 25.725 ( -14.561 4.856 3.325) 15.706 25.857 ( -4.441 0.467 -5.096) 6.775 27.260 ( 1.687 0.167 0.120) 1.699 27.307 ( 1.515 -0.915 -0.403) 1.815 27.372 ( 1.372 -0.405 1.095) 1.802 27.449 ( 2.500 -2.162 -1.422) 3.598 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -13.186 3.500 0.198) 13.644 1.834 ( -9.904 3.177 -2.261) 10.644 1.909 ( -3.324 0.983 -0.406) 3.490 1.943 ( -8.050 -0.071 0.914) 8.102 2.019 ( -0.832 0.860 -1.132) 1.647 2.078 ( -4.982 -1.794 4.229) 6.777 2.109 ( 5.100 -0.769 3.170) 6.054 2.247 ( -3.444 0.673 0.098) 3.510 2.407 ( 4.598 -4.283 3.189) 7.047 2.500 ( 0.353 -0.104 0.005) 0.368 2.511 ( -3.712 -3.078 -3.681) 6.067 2.567 ( 3.370 -0.431 3.501) 4.878 2.600 ( 0.915 -1.643 0.326) 1.908 2.667 ( 1.808 -3.272 2.773) 4.654 2.766 ( 6.594 -0.782 3.038) 7.302 2.811 ( -1.234 -1.691 0.900) 2.279 2.884 ( 3.823 0.676 4.268) 5.770 2.935 ( 0.532 1.613 -2.995) 3.443 2.969 ( -1.296 2.504 0.702) 2.906 3.023 ( -0.653 -1.359 -3.397) 3.717 3.069 ( -7.611 -2.041 -4.080) 8.873 3.201 ( 1.427 1.413 -0.418) 2.052 3.305 ( -3.234 2.758 -4.397) 6.115 3.378 ( -8.396 0.414 -1.880) 8.614 3.440 ( -5.871 2.019 -3.388) 7.073 3.482 ( -3.296 0.720 5.831) 6.736 3.509 ( -5.012 5.546 2.280) 7.815 3.621 ( -10.630 4.172 -1.639) 11.537 3.642 ( -2.508 -3.980 4.347) 6.406 3.696 ( 2.283 4.946 3.199) 6.317 3.783 ( -5.045 -0.141 1.330) 5.219 3.892 ( 3.398 -1.284 0.696) 3.698 4.015 ( 4.352 -0.721 1.504) 4.661 4.043 ( -2.065 0.025 1.518) 2.563 4.134 ( 1.003 -0.688 4.219) 4.391 4.195 ( 3.284 3.489 3.094) 5.703 4.244 ( 5.984 1.249 -1.168) 6.224 4.305 ( 8.625 1.840 -1.348) 8.922 4.345 ( -4.260 3.667 -0.691) 5.663 4.386 ( 6.851 6.442 -0.574) 9.422 4.503 ( -0.240 1.952 -5.629) 5.963 4.587 ( 1.286 -1.705 0.698) 2.247 4.681 ( 0.820 -2.392 -4.624) 5.270 4.784 ( 6.475 0.633 -2.022) 6.813 5.053 ( 7.157 -2.502 2.357) 7.939 5.094 ( 2.396 -4.008 2.323) 5.216 5.272 ( 3.805 -2.079 -2.089) 4.813 5.335 ( -2.157 0.303 -0.436) 2.222 5.386 ( 0.692 0.081 3.412) 3.482 5.429 ( 1.471 -1.855 -3.715) 4.405 5.550 ( -0.906 0.950 1.813) 2.239 5.578 ( -6.388 0.986 -1.616) 6.662 6.017 ( -1.682 5.312 1.808) 5.858 6.146 ( -0.057 1.997 -1.889) 2.750 6.216 ( -4.256 -1.344 -1.427) 4.685 6.286 ( -2.540 2.483 -1.157) 3.736 6.316 ( -0.194 2.952 0.168) 2.963 6.426 ( 5.348 2.546 -1.581) 6.131 6.563 ( 3.290 -1.116 -0.962) 3.605 6.576 ( 7.212 -3.495 4.495) 9.189 6.883 ( -0.705 3.648 2.043) 4.240 6.955 ( 1.700 2.683 1.795) 3.648 6.961 ( 3.050 2.355 1.015) 3.985 7.039 ( -1.409 2.431 -2.064) 3.487 7.388 ( -2.318 5.821 -3.856) 7.357 7.470 ( 2.362 5.983 -4.489) 7.844 7.702 ( 6.425 2.819 0.894) 7.073 7.791 ( -1.304 1.175 -3.865) 4.245 7.965 ( -2.916 -1.063 2.181) 3.793 8.041 ( 1.160 0.683 -0.601) 1.474 8.197 ( -0.052 1.159 3.903) 4.071 8.231 ( -1.382 1.549 -1.348) 2.475 8.317 ( -1.549 3.691 -1.371) 4.231 8.506 ( 0.479 1.118 -5.814) 5.940 8.611 ( -4.597 -0.280 0.571) 4.641 8.735 ( -2.746 -6.140 4.188) 7.924 8.820 ( -5.314 -1.060 0.750) 5.470 8.920 ( -3.835 -2.802 4.444) 6.504 9.032 ( 2.724 0.501 8.391) 8.836 9.081 ( 2.901 -2.277 1.340) 3.923 9.221 ( 3.722 -5.757 -1.856) 7.102 9.322 ( 1.854 -5.581 5.256) 7.887 9.374 ( 1.988 -2.683 1.757) 3.773 9.529 ( 3.087 0.096 -4.690) 5.616 9.604 ( -2.262 1.033 7.702) 8.093 9.689 ( -2.274 0.788 6.681) 7.102 9.797 ( -2.451 2.557 -0.691) 3.609 9.845 ( 0.656 -1.921 -2.859) 3.506 10.088 ( 1.924 1.270 3.527) 4.213 10.176 ( 0.531 5.467 -0.254) 5.498 10.285 ( -1.876 6.005 -3.644) 7.271 10.499 ( 1.895 -6.999 -4.813) 8.703 10.528 ( 5.536 -3.849 2.458) 7.177 10.582 ( 3.801 -0.762 2.810) 4.788 10.705 ( -0.821 1.846 -1.433) 2.477 10.769 ( -3.128 3.085 -2.900) 5.264 10.811 ( 5.286 -2.241 0.100) 5.742 10.901 ( -2.945 5.547 0.011) 6.281 11.023 ( 3.107 0.596 -4.891) 5.825 11.068 ( -5.645 -2.366 -3.390) 6.997 11.119 ( -5.324 -1.358 -2.361) 5.981 11.205 ( 1.570 -2.605 0.226) 3.050 11.436 ( 5.628 3.234 8.902) 11.017 11.556 ( -10.293 -0.870 -0.955) 10.374 11.638 ( -0.424 -0.838 5.754) 5.830 11.720 ( 3.845 2.766 1.060) 4.854 11.786 ( 0.022 -3.525 -2.138) 4.122 11.864 ( 1.583 -1.501 2.432) 3.267 11.906 ( -5.753 -1.577 1.615) 6.180 12.034 ( 3.342 -0.996 0.264) 3.497 12.114 ( 4.054 -1.071 -3.813) 5.668 12.304 ( -4.174 1.586 0.047) 4.465 12.355 ( 0.822 -0.868 -6.256) 6.370 12.468 ( -0.809 -4.971 -1.357) 5.216 12.499 ( -8.600 -5.853 -1.327) 10.487 12.702 ( -1.120 -3.158 3.647) 4.952 12.729 ( -0.920 -0.111 -1.402) 1.680 12.839 ( 2.792 -3.521 1.142) 4.637 12.860 ( -5.266 1.001 1.366) 5.532 12.925 ( -0.418 1.338 4.440) 4.656 13.110 ( -0.577 -1.684 3.372) 3.813 13.243 ( 0.591 1.340 -6.631) 6.791 13.286 ( -1.575 -1.958 -1.330) 2.844 13.362 ( -2.322 -5.968 -1.376) 6.549 13.412 ( -2.316 0.612 4.413) 5.021 13.644 ( 4.386 -5.146 -1.980) 7.046 13.713 ( -2.897 4.981 -5.847) 8.209 13.878 ( -1.222 1.916 -6.783) 7.154 14.034 ( -6.111 5.659 2.764) 8.776 14.252 ( 0.491 4.003 -7.889) 8.860 14.284 ( -17.926 0.853 -1.028) 17.976 14.413 ( 4.109 -0.529 2.586) 4.884 14.498 ( -4.415 -5.958 -5.041) 8.966 14.710 ( 5.944 5.068 -0.398) 7.821 14.882 ( 2.248 -5.138 -0.568) 5.636 15.045 ( 6.724 -1.809 -3.766) 7.916 15.080 ( 14.546 -0.463 8.820) 17.017 15.193 ( -2.962 -4.304 3.355) 6.210 15.412 ( -1.260 -0.598 -1.290) 1.900 15.493 ( -1.843 4.627 1.544) 5.214 15.542 ( -4.747 -4.990 -9.559) 11.782 15.628 ( -2.796 -1.444 4.575) 5.552 15.842 ( 4.739 5.261 -0.853) 7.132 15.918 ( 6.944 0.911 0.282) 7.009 16.240 ( -0.282 1.775 7.048) 7.273 16.631 ( -2.299 -4.840 -4.032) 6.705 16.871 ( 0.001 -0.129 0.007) 0.129 16.917 ( 6.234 -2.265 0.305) 6.640 17.037 ( 0.494 4.037 2.762) 4.916 17.248 ( 3.947 2.425 -0.802) 4.702 17.284 ( 1.292 1.762 0.159) 2.190 17.361 ( 2.614 -2.442 -0.210) 3.584 21.265 ( -0.897 0.125 -0.180) 0.924 21.336 ( 0.602 -1.529 -4.307) 4.610 21.409 ( -3.133 -4.017 3.313) 6.077 21.619 ( 2.292 -10.814 3.233) 11.517 22.124 ( -0.608 1.555 6.680) 6.885 22.251 ( -3.367 -1.279 8.348) 9.091 22.422 ( -2.839 6.223 -4.216) 8.036 22.680 ( 4.418 1.138 0.207) 4.567 22.966 ( -1.086 7.516 0.266) 7.599 23.114 ( -0.017 4.117 -3.295) 5.273 23.207 ( 0.612 8.167 4.564) 9.376 23.319 ( 4.983 11.152 6.762) 13.962 23.723 ( -10.224 -7.002 -6.405) 13.950 23.862 ( 1.006 -3.210 -13.462) 13.876 23.985 ( -6.290 -7.947 1.771) 10.288 24.329 ( 7.177 1.424 -2.089) 7.610 24.389 ( -1.251 1.694 -1.736) 2.729 24.487 ( 0.850 -0.546 -4.029) 4.154 24.505 ( 1.396 -5.757 1.305) 6.066 24.896 ( 6.213 -8.750 -7.184) 12.914 25.113 ( -3.733 10.210 9.340) 14.333 25.471 ( -10.863 -1.505 6.227) 12.611 25.600 ( 5.464 9.276 -4.058) 11.505 25.978 ( 13.418 -1.386 0.044) 13.490 27.265 ( -1.381 0.022 0.430) 1.446 27.295 ( -2.275 -0.623 -0.863) 2.512 27.370 ( -2.142 -0.228 0.865) 2.321 27.471 ( 0.302 -2.719 -0.793) 2.849 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -23.138 10.679 2.710) 25.627 1.430 ( -22.728 13.410 1.137) 26.414 1.825 ( -5.110 -3.216 -4.517) 7.540 1.850 ( -0.722 -2.373 -0.809) 2.608 1.998 ( -1.727 0.198 0.128) 1.743 2.069 ( -1.995 -0.268 -0.140) 2.017 2.132 ( -7.512 1.501 3.528) 8.434 2.189 ( -5.151 1.699 1.730) 5.694 2.318 ( -17.689 8.196 0.083) 19.496 2.420 ( -3.050 -0.202 1.790) 3.543 2.464 ( -1.008 -7.985 1.103) 8.124 2.548 ( -5.215 1.459 -2.276) 5.874 2.572 ( -1.918 -4.733 0.905) 5.186 2.676 ( 0.270 -0.124 2.795) 2.810 2.784 ( -2.466 2.787 -7.128) 8.041 2.799 ( -1.669 0.197 7.154) 7.348 2.829 ( -5.583 -2.062 -0.057) 5.952 2.912 ( -1.270 -1.242 -0.198) 1.788 2.939 ( 3.254 -1.692 0.383) 3.687 3.034 ( -0.540 0.291 -0.283) 0.676 3.101 ( -6.200 -3.024 -0.866) 6.953 3.199 ( 5.898 -0.065 -0.706) 5.940 3.220 ( 2.736 -1.130 -1.936) 3.537 3.255 ( 1.386 0.149 -2.379) 2.757 3.357 ( -1.017 2.585 0.726) 2.871 3.383 ( -7.397 8.818 0.536) 11.522 3.420 ( -5.357 5.966 -3.420) 8.717 3.552 ( -0.498 -0.549 8.308) 8.341 3.610 ( -1.615 -2.655 2.217) 3.817 3.724 ( -0.562 -0.666 3.185) 3.302 3.738 ( -3.055 1.650 1.609) 3.827 3.900 ( -4.277 1.351 -4.693) 6.492 4.002 ( 1.549 -6.695 -0.054) 6.872 4.042 ( -5.591 2.358 4.056) 7.299 4.093 ( -0.082 -2.653 2.500) 3.646 4.195 ( -2.489 3.662 0.702) 4.483 4.329 ( 1.520 -1.142 -2.847) 3.423 4.394 ( 7.257 0.415 -1.346) 7.392 4.458 ( 7.170 2.187 -3.238) 8.166 4.515 ( 4.428 1.922 0.405) 4.844 4.595 ( 7.798 2.113 1.871) 8.293 4.699 ( 7.923 1.420 1.332) 8.159 4.768 ( 7.594 -4.871 -2.215) 9.290 4.888 ( 6.660 1.352 -5.149) 8.526 5.138 ( 1.214 -3.189 -1.930) 3.920 5.195 ( 3.261 -3.026 1.539) 4.707 5.273 ( -0.712 -0.362 0.780) 1.116 5.320 ( 0.775 -1.994 0.055) 2.140 5.371 ( -0.299 0.298 -0.850) 0.949 5.446 ( -3.176 4.297 0.367) 5.355 5.522 ( 3.043 0.296 -1.569) 3.436 5.589 ( 3.455 1.349 -0.003) 3.709 5.982 ( -0.723 4.185 -1.943) 4.671 6.055 ( -6.359 1.011 1.188) 6.548 6.146 ( -2.974 -1.201 -4.825) 5.794 6.167 ( -4.591 -0.839 -2.272) 5.190 6.355 ( 0.200 4.282 1.163) 4.441 6.520 ( 1.318 0.844 2.398) 2.864 6.579 ( 0.807 -1.153 -0.111) 1.412 6.746 ( 2.403 -3.965 2.834) 5.434 6.936 ( 4.014 2.171 1.009) 4.674 6.972 ( 2.655 2.879 -3.055) 4.967 7.023 ( 4.722 -3.316 -4.573) 7.363 7.061 ( 5.938 -1.016 7.346) 9.500 7.396 ( 2.816 5.277 -3.745) 7.057 7.548 ( 9.487 13.032 -0.856) 16.142 7.678 ( -1.230 -0.628 -4.470) 4.678 7.871 ( 3.963 8.159 2.321) 9.362 7.962 ( -1.332 -2.422 6.819) 7.357 8.078 ( 1.749 3.933 -0.158) 4.308 8.110 ( -3.475 4.060 -5.855) 7.927 8.240 ( 0.737 1.083 3.010) 3.283 8.292 ( -1.247 4.008 0.935) 4.300 8.510 ( -1.733 5.576 -2.121) 6.212 8.613 ( 2.829 -1.399 8.982) 9.521 8.689 ( -5.019 -4.166 5.718) 8.674 8.732 ( -0.880 -2.262 3.013) 3.869 8.865 ( -3.445 -4.674 1.752) 6.065 9.092 ( 1.144 5.115 5.408) 7.531 9.156 ( 0.908 -3.867 0.360) 3.988 9.266 ( 0.477 -5.272 2.544) 5.873 9.407 ( 0.823 -5.318 4.653) 7.114 9.433 ( 1.010 -4.144 2.390) 4.889 9.505 ( 1.026 -0.465 -3.851) 4.012 9.589 ( -2.018 3.024 -4.041) 5.436 9.727 ( 1.629 -5.539 1.850) 6.063 9.747 ( 1.135 1.878 -1.512) 2.665 9.822 ( -0.794 -0.860 -5.474) 5.597 10.165 ( 0.838 4.127 0.355) 4.227 10.200 ( 3.811 3.163 3.382) 5.997 10.279 ( 2.468 4.435 0.033) 5.075 10.516 ( 1.190 -3.531 -1.226) 3.923 10.583 ( -6.256 -0.082 0.849) 6.314 10.617 ( -1.957 0.781 -0.139) 2.112 10.657 ( 0.245 -2.712 0.725) 2.818 10.811 ( 6.370 0.525 -2.631) 6.912 10.860 ( -0.484 0.021 1.991) 2.049 10.924 ( 4.126 1.731 3.583) 5.732 10.975 ( 3.561 -1.332 -8.520) 9.330 11.036 ( -1.435 -2.878 1.068) 3.389 11.106 ( 5.975 3.873 -2.530) 7.557 11.256 ( 2.191 -0.781 0.717) 2.434 11.286 ( -10.139 2.810 -2.621) 10.843 11.505 ( -4.839 -0.898 0.770) 4.982 11.687 ( -4.522 -1.052 3.881) 6.051 11.703 ( -2.478 2.886 5.832) 6.963 11.716 ( -1.315 -2.347 -2.296) 3.537 11.844 ( -2.070 -1.118 5.062) 5.582 11.908 ( -0.103 -1.758 2.381) 2.962 12.058 ( -6.926 -7.166 -2.280) 10.223 12.141 ( 4.629 0.131 -1.866) 4.993 12.206 ( -2.592 -3.829 -2.501) 5.257 12.234 ( -5.996 -5.957 -3.977) 9.341 12.348 ( -3.388 0.372 -3.671) 5.009 12.514 ( 1.634 -1.317 -2.123) 2.985 12.628 ( -7.554 -1.773 3.784) 8.633 12.666 ( -5.158 -1.623 0.895) 5.480 12.691 ( -9.483 3.453 -3.125) 10.565 12.895 ( -1.953 0.288 1.928) 2.759 12.930 ( -1.058 2.833 5.267) 6.073 13.006 ( -6.371 0.251 -5.777) 8.604 13.196 ( -9.486 -7.068 -0.212) 11.832 13.269 ( 0.583 -4.077 3.366) 5.319 13.314 ( 4.448 -4.625 -3.501) 7.309 13.451 ( 0.118 1.964 3.647) 4.144 13.521 ( -10.561 4.484 -3.485) 11.991 13.647 ( -3.623 -5.426 -1.083) 6.614 13.699 ( -6.524 -3.054 -5.966) 9.353 14.006 ( -4.126 4.352 2.885) 6.655 14.043 ( -1.528 2.502 -3.227) 4.360 14.124 ( -6.348 6.584 -10.683) 14.063 14.417 ( -0.462 -8.506 -3.281) 9.129 14.523 ( 4.867 -0.895 1.143) 5.079 14.805 ( 0.996 2.543 7.012) 7.525 14.912 ( 3.860 -5.327 -7.724) 10.146 15.017 ( -4.709 -0.197 -2.382) 5.281 15.093 ( -6.733 -3.216 0.143) 7.463 15.358 ( -0.856 0.563 -2.793) 2.975 15.405 ( -0.987 -3.455 -0.274) 3.604 15.444 ( 2.376 -10.498 -0.968) 10.807 15.593 ( 9.598 7.482 -0.059) 12.170 15.683 ( 8.610 2.245 6.693) 11.134 15.885 ( 1.245 8.363 -3.321) 9.084 16.030 ( 4.254 2.359 -3.186) 5.815 16.330 ( 2.799 -3.406 12.144) 12.920 16.578 ( -0.238 -4.578 -2.616) 5.278 16.896 ( 1.727 0.329 -0.273) 1.779 17.061 ( 7.066 0.234 0.632) 7.098 17.125 ( 6.456 -1.926 2.459) 7.172 17.342 ( 7.105 4.386 -0.306) 8.355 17.395 ( 5.882 -0.763 -1.858) 6.216 17.449 ( 6.852 -0.510 2.195) 7.213 21.224 ( -2.664 0.439 -0.616) 2.769 21.292 ( -2.360 -2.968 -2.762) 4.691 21.340 ( -4.721 -3.990 1.563) 6.376 21.648 ( -2.021 -15.254 2.258) 15.552 22.146 ( -1.795 0.585 7.023) 7.272 22.215 ( -5.556 -1.774 8.060) 9.948 22.359 ( -0.948 5.931 -2.980) 6.705 22.735 ( 2.033 -3.378 -2.858) 4.870 22.932 ( -2.264 6.498 -0.281) 6.886 23.124 ( 2.834 6.624 -1.905) 7.452 23.235 ( -0.686 6.972 3.034) 7.634 23.506 ( -6.382 -8.235 -1.827) 10.578 23.535 ( 6.824 12.459 11.668) 18.383 23.744 ( -2.996 -2.475 -8.765) 9.588 23.891 ( 1.653 12.062 -8.091) 14.618 24.266 ( -2.853 4.134 -4.507) 6.748 24.438 ( -2.529 -3.020 -1.805) 4.333 24.524 ( 2.683 -0.481 -0.909) 2.873 24.598 ( 10.329 -2.830 -0.753) 10.736 24.964 ( 0.410 -2.649 -1.211) 2.941 25.172 ( 6.858 -5.786 7.318) 11.579 25.327 ( -6.267 -2.490 2.463) 7.180 25.785 ( 12.396 15.416 -0.567) 19.790 26.277 ( 14.956 0.278 -0.075) 14.958 27.215 ( -3.623 -0.102 0.539) 3.664 27.217 ( -4.384 -0.179 -0.768) 4.454 27.301 ( -4.804 -0.264 0.424) 4.829 27.448 ( -1.975 -4.655 -1.549) 5.289 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -18.933 18.964 7.109) 27.724 1.010 ( -21.173 20.067 8.194) 30.301 1.551 ( -26.579 27.882 11.903) 40.317 1.760 ( -0.729 1.603 -4.078) 4.442 1.863 ( 1.695 -6.585 0.264) 6.805 1.967 ( -2.076 -5.365 3.282) 6.623 2.069 ( -3.774 -1.762 -0.076) 4.166 2.159 ( 1.325 4.236 0.865) 4.522 2.229 ( -0.693 2.272 0.478) 2.423 2.337 ( -5.253 -6.394 0.756) 8.310 2.434 ( -2.249 -2.198 -1.518) 3.492 2.489 ( -2.648 -1.626 0.136) 3.110 2.528 ( -0.844 -1.411 -0.892) 1.870 2.601 ( -4.227 -1.690 -7.951) 9.162 2.666 ( -2.867 -0.146 1.365) 3.179 2.720 ( -5.484 -1.483 -1.043) 5.776 2.788 ( -5.807 2.029 1.030) 6.237 2.883 ( -0.978 -4.601 7.190) 8.591 2.981 ( 0.696 0.043 3.178) 3.254 2.984 ( -1.586 -1.600 1.212) 2.558 3.106 ( 3.695 3.835 0.672) 5.368 3.171 ( -1.875 3.236 -5.221) 6.422 3.230 ( -2.692 4.665 -1.322) 5.546 3.291 ( 0.516 1.983 -1.839) 2.753 3.305 ( -1.004 4.898 -1.024) 5.104 3.356 ( 0.121 4.851 2.156) 5.310 3.471 ( 8.572 -1.914 1.834) 8.973 3.570 ( -1.066 -3.638 0.651) 3.846 3.621 ( 0.290 -0.183 2.348) 2.373 3.655 ( -1.350 2.459 -0.418) 2.836 3.750 ( -1.741 1.623 -2.947) 3.788 3.820 ( 0.078 -4.301 4.456) 6.194 3.915 ( -2.979 -1.167 -4.406) 5.445 4.027 ( -4.424 -5.287 2.796) 7.439 4.090 ( -0.383 -0.404 -4.261) 4.298 4.186 ( 0.515 -7.356 3.070) 7.988 4.314 ( -0.763 -1.603 -1.237) 2.164 4.486 ( 1.403 -0.217 0.001) 1.420 4.552 ( -1.822 2.009 1.118) 2.933 4.580 ( 6.434 0.140 -0.364) 6.446 4.696 ( -0.267 -0.481 -0.021) 0.551 4.833 ( 4.035 -1.712 -2.278) 4.939 4.879 ( 5.399 1.677 0.449) 5.671 5.008 ( 6.626 -1.158 -4.705) 8.209 5.112 ( -1.046 -0.389 -4.982) 5.106 5.217 ( -2.680 1.785 -1.874) 3.726 5.238 ( 1.526 -0.350 0.597) 1.675 5.349 ( -2.354 -1.025 3.274) 4.161 5.401 ( 1.623 1.319 1.553) 2.605 5.443 ( 3.940 1.775 -2.912) 5.211 5.559 ( 0.535 0.997 -0.493) 1.234 5.599 ( -1.473 0.286 -0.285) 1.528 5.898 ( -7.284 -2.735 -4.075) 8.783 6.001 ( 0.578 1.776 -2.184) 2.874 6.039 ( 0.791 -0.684 1.135) 1.543 6.149 ( 2.171 0.133 -0.614) 2.260 6.318 ( -4.183 2.266 2.685) 5.463 6.546 ( 0.299 -3.266 4.819) 5.829 6.602 ( 1.428 -0.687 -1.402) 2.116 6.705 ( -3.139 -0.284 -0.330) 3.169 7.022 ( 3.244 -1.110 -4.926) 6.002 7.066 ( 7.383 0.164 -0.611) 7.410 7.175 ( 11.496 -6.005 -4.551) 13.746 7.286 ( 5.570 -0.958 8.607) 10.296 7.421 ( 3.300 4.695 -2.581) 6.293 7.643 ( -2.466 -1.368 2.993) 4.112 7.716 ( 4.120 9.276 -2.354) 10.419 7.881 ( -4.061 5.025 2.943) 7.099 7.988 ( 2.849 5.343 0.999) 6.137 8.077 ( -2.666 -0.135 2.034) 3.356 8.161 ( 7.952 12.630 -0.678) 14.940 8.255 ( 3.408 4.784 3.360) 6.768 8.395 ( -2.367 3.301 1.150) 4.222 8.442 ( 11.882 3.092 1.266) 12.343 8.640 ( -5.787 -0.797 10.551) 12.060 8.695 ( -1.008 0.097 5.570) 5.661 8.796 ( -4.214 -4.929 1.821) 6.736 8.842 ( 5.614 0.574 3.897) 6.858 9.093 ( -3.979 3.150 -1.687) 5.348 9.169 ( 2.928 4.722 0.146) 5.558 9.250 ( -2.968 -2.450 0.703) 3.912 9.326 ( -7.503 -0.054 -1.310) 7.616 9.425 ( 2.512 4.123 -5.346) 7.204 9.536 ( 0.424 -3.880 -1.454) 4.166 9.633 ( 6.229 -8.396 3.502) 11.025 9.719 ( 1.343 -2.402 0.704) 2.841 9.807 ( 4.689 1.655 -2.623) 5.622 9.857 ( 5.168 -4.312 -0.549) 6.753 10.181 ( 0.034 2.004 1.503) 2.506 10.289 ( 1.703 8.759 2.694) 9.320 10.328 ( -0.201 2.094 -0.761) 2.237 10.441 ( -5.433 -3.126 1.816) 6.526 10.469 ( -0.822 -1.695 0.468) 1.941 10.551 ( -3.852 2.380 0.806) 4.599 10.682 ( -0.924 -0.497 1.003) 1.452 10.858 ( -6.447 -5.411 1.468) 8.544 10.901 ( 5.559 1.003 -2.108) 6.030 11.009 ( 5.509 -1.990 -2.442) 6.346 11.023 ( 4.569 -0.639 3.185) 5.606 11.096 ( 6.943 0.696 -4.387) 8.243 11.170 ( 0.117 1.442 -2.599) 2.975 11.263 ( 0.612 -4.179 -3.321) 5.373 11.288 ( 5.753 3.506 2.214) 7.091 11.384 ( -4.045 -1.891 -0.807) 4.537 11.541 ( -7.854 -4.061 2.080) 9.083 11.645 ( -2.681 -1.415 -1.131) 3.235 11.721 ( -8.408 -8.731 -4.350) 12.878 11.763 ( -8.801 -2.514 7.590) 11.891 11.861 ( -5.821 3.161 -1.926) 6.898 11.894 ( -1.393 -4.664 0.948) 4.959 12.118 ( -2.003 -3.231 -2.128) 4.357 12.166 ( 1.091 -3.065 -6.872) 7.603 12.202 ( 0.312 -2.554 -1.659) 3.062 12.338 ( -1.646 -1.515 4.570) 5.089 12.362 ( -11.435 5.095 -0.425) 12.526 12.462 ( -6.684 -2.003 0.679) 7.010 12.504 ( -1.234 2.563 -7.013) 7.568 12.639 ( -16.362 -5.210 -5.725) 18.101 12.675 ( -4.259 -5.998 -4.363) 8.553 12.856 ( -8.088 1.126 2.723) 8.608 12.935 ( -15.316 -8.701 2.839) 17.842 13.005 ( 2.239 6.699 -0.073) 7.063 13.218 ( -4.504 -0.803 -3.824) 5.963 13.325 ( -2.181 2.089 -6.060) 6.771 13.385 ( 2.316 -3.353 -5.335) 6.713 13.446 ( -2.202 -5.863 0.704) 6.302 13.527 ( -4.108 -2.806 1.000) 5.075 13.634 ( -3.835 -0.916 3.548) 5.304 13.829 ( -6.648 7.198 -11.466) 15.082 14.015 ( 3.029 4.761 -0.263) 5.649 14.090 ( 1.281 0.816 2.831) 3.213 14.410 ( 1.208 -9.516 2.328) 9.871 14.657 ( 7.597 0.346 -0.341) 7.612 14.816 ( -6.494 -1.917 1.202) 6.877 14.885 ( -6.913 -6.312 -1.419) 9.468 14.919 ( 0.638 4.556 -9.956) 10.967 14.942 ( -0.383 1.769 -5.880) 6.153 15.244 ( -4.403 3.541 -3.714) 6.762 15.305 ( -6.693 -2.240 1.530) 7.222 15.504 ( 2.964 -6.667 -1.712) 7.495 15.752 ( 1.895 8.424 -1.022) 8.695 15.884 ( 5.442 7.826 1.832) 9.707 15.927 ( 4.856 5.396 -0.492) 7.276 16.087 ( 4.564 3.101 0.632) 5.554 16.466 ( 1.693 -8.080 9.176) 12.343 16.649 ( 6.149 -7.132 10.982) 14.466 16.919 ( 0.269 3.095 1.897) 3.640 17.222 ( 7.188 0.788 1.772) 7.444 17.273 ( 5.463 -7.041 2.396) 9.228 17.457 ( 2.824 -2.030 -2.408) 4.230 17.503 ( 6.795 3.270 0.306) 7.547 17.624 ( 7.455 1.143 0.568) 7.564 21.166 ( -1.905 0.762 -1.817) 2.740 21.200 ( -7.180 -7.436 1.052) 10.390 21.267 ( -1.843 -2.711 -1.321) 3.534 21.522 ( -10.406 -13.768 -2.868) 17.495 22.131 ( -4.217 -0.005 4.413) 6.103 22.153 ( -3.176 -0.410 6.169) 6.951 22.340 ( 0.136 6.158 -1.196) 6.275 22.739 ( 0.731 -3.599 -3.879) 5.342 22.896 ( -0.942 5.238 1.305) 5.480 23.179 ( 3.121 7.360 -2.482) 8.371 23.212 ( -1.604 3.139 -1.085) 3.688 23.413 ( -2.444 -5.753 3.710) 7.269 23.562 ( -5.850 -2.010 1.919) 6.476 23.628 ( -1.565 8.007 -16.519) 18.424 24.202 ( 5.477 7.121 -2.599) 9.353 24.232 ( 14.406 9.469 8.907) 19.404 24.423 ( 6.874 4.539 -0.135) 8.238 24.576 ( 4.346 1.315 -1.190) 4.694 24.786 ( 8.305 -4.516 1.508) 9.573 24.936 ( -0.789 0.782 1.556) 1.912 25.231 ( -3.748 -0.535 4.331) 5.753 25.409 ( 9.522 -11.383 3.008) 15.143 26.039 ( 10.801 16.693 5.442) 20.614 26.558 ( 13.459 4.040 -1.439) 14.125 27.129 ( -3.424 -0.014 -0.298) 3.437 27.143 ( -2.994 0.030 0.109) 2.996 27.200 ( -4.788 -0.529 -0.138) 4.819 27.354 ( -6.520 -6.722 -4.029) 10.195 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -0.552 21.716 5.938) 22.520 1.321 ( 1.354 24.173 8.491) 25.657 1.573 ( 2.603 -13.718 0.516) 13.972 1.735 ( -3.426 -14.721 0.308) 15.117 1.786 ( 3.965 -1.045 0.728) 4.165 1.869 ( 1.087 -8.591 4.798) 9.900 2.169 ( 0.344 0.212 -2.630) 2.661 2.210 ( 0.592 0.110 -1.416) 1.538 2.297 ( 2.225 6.547 0.192) 6.917 2.328 ( 3.128 2.025 0.141) 3.729 2.369 ( -0.677 16.434 7.188) 17.950 2.476 ( -2.438 12.356 -0.152) 12.595 2.538 ( -0.550 1.306 -0.491) 1.500 2.586 ( -1.068 2.437 1.267) 2.947 2.604 ( 0.832 3.388 2.308) 4.183 2.646 ( -1.153 -3.683 2.236) 4.461 2.679 ( -0.282 -0.473 1.114) 1.243 2.853 ( 1.277 -2.630 1.939) 3.509 2.910 ( -0.153 -3.281 7.186) 7.901 3.083 ( -1.188 -5.578 -4.741) 7.417 3.134 ( -1.304 5.845 -2.425) 6.461 3.226 ( -0.881 1.203 -6.030) 6.212 3.274 ( 0.520 -0.347 -2.941) 3.007 3.331 ( -0.111 3.042 0.131) 3.047 3.352 ( -0.942 -2.283 -0.595) 2.540 3.413 ( 1.457 -4.138 -0.060) 4.388 3.475 ( 1.300 -7.869 0.194) 7.978 3.540 ( -0.110 -1.114 2.163) 2.435 3.572 ( 0.735 -0.905 0.710) 1.366 3.636 ( -5.218 2.527 0.243) 5.803 3.700 ( -0.084 -2.579 4.191) 4.922 3.734 ( 4.240 -0.101 0.592) 4.282 3.788 ( -4.030 -1.067 0.849) 4.254 3.837 ( -0.504 -5.775 -0.093) 5.798 4.086 ( 0.409 1.355 1.114) 1.801 4.144 ( 1.512 -3.806 -3.049) 5.106 4.279 ( -1.223 9.008 0.116) 9.091 4.451 ( -0.008 -6.192 -0.304) 6.199 4.610 ( 0.878 3.897 1.699) 4.341 4.653 ( 0.009 0.103 1.738) 1.741 4.719 ( 0.938 3.271 -0.666) 3.467 4.806 ( 0.957 -4.783 -0.998) 4.979 4.975 ( -0.776 1.392 -1.400) 2.121 4.997 ( 0.318 -1.240 -4.894) 5.059 5.138 ( 2.447 2.393 -3.097) 4.615 5.204 ( 1.906 -4.195 -3.752) 5.943 5.281 ( 1.517 3.883 -1.005) 4.289 5.307 ( -1.913 1.222 3.139) 3.874 5.468 ( -0.262 0.907 -1.301) 1.607 5.484 ( -2.930 -0.636 -0.330) 3.016 5.568 ( 1.843 2.608 1.818) 3.675 5.616 ( 1.288 -0.907 1.156) 1.954 5.837 ( 0.875 1.859 1.615) 2.614 5.912 ( 0.292 -5.089 2.970) 5.899 6.151 ( 2.502 3.041 -2.380) 4.602 6.210 ( 2.785 -1.793 -1.336) 3.571 6.315 ( -3.125 4.789 3.688) 6.804 6.433 ( -1.663 -6.789 4.188) 8.149 6.615 ( 0.203 0.075 -2.987) 2.995 6.626 ( -1.361 -1.347 -2.615) 3.241 7.022 ( -3.094 2.718 -3.951) 5.707 7.110 ( -4.258 -5.686 -4.875) 8.616 7.182 ( 2.765 2.835 -2.554) 4.713 7.253 ( 2.303 -4.237 -1.925) 5.192 7.611 ( -2.642 3.894 2.866) 5.510 7.655 ( 4.193 2.160 2.336) 5.263 7.821 ( -6.809 0.997 5.407) 8.752 7.889 ( 5.239 -1.846 4.126) 6.919 8.059 ( -0.568 2.220 3.508) 4.190 8.101 ( -0.988 -1.610 -4.968) 5.315 8.273 ( -3.669 6.425 2.604) 7.843 8.358 ( -6.197 1.069 1.316) 6.425 8.446 ( 4.160 3.699 8.993) 10.577 8.547 ( -3.514 -6.135 6.238) 9.429 8.610 ( -3.207 5.200 5.382) 8.143 8.702 ( -0.672 -1.769 3.418) 3.907 8.828 ( -4.421 2.240 0.486) 4.980 8.870 ( 0.412 -1.864 1.022) 2.165 9.067 ( -9.653 5.499 -5.500) 12.397 9.174 ( -5.835 -3.444 -4.507) 8.138 9.274 ( 8.788 5.335 -9.930) 14.293 9.416 ( 12.865 -7.402 -3.555) 15.262 9.459 ( 1.632 1.998 -2.332) 3.477 9.496 ( 1.657 -2.639 -3.524) 4.705 9.698 ( 2.665 4.921 -0.330) 5.606 9.821 ( 3.899 -5.620 -0.776) 6.884 9.874 ( 3.066 1.793 8.278) 9.008 9.942 ( 5.761 -4.385 6.922) 10.016 10.136 ( -4.631 3.559 0.580) 5.870 10.240 ( -4.388 -2.649 -0.295) 5.134 10.273 ( 1.037 0.549 4.585) 4.733 10.385 ( -3.226 -4.912 1.291) 6.017 10.485 ( -3.186 6.268 -1.404) 7.170 10.560 ( -3.625 -0.488 -7.101) 7.988 10.703 ( -0.375 5.707 2.744) 6.344 10.756 ( 5.989 2.435 1.303) 6.594 10.950 ( -3.886 -0.341 1.754) 4.277 10.974 ( -6.410 3.261 -1.759) 7.404 11.045 ( -1.741 3.699 0.484) 4.117 11.072 ( 4.104 -8.372 -1.522) 9.448 11.128 ( 4.166 -2.420 -1.446) 5.030 11.159 ( -0.377 -7.418 3.704) 8.300 11.231 ( 0.631 1.205 -2.263) 2.640 11.364 ( -2.087 0.026 -6.317) 6.653 11.394 ( 5.870 -4.391 -2.144) 7.638 11.447 ( -1.937 -7.191 -5.547) 9.286 11.565 ( -6.266 7.742 -1.631) 10.093 11.728 ( -3.728 -5.291 0.374) 6.484 11.870 ( -1.504 6.939 -5.368) 8.901 11.942 ( 3.137 -0.262 7.533) 8.164 11.967 ( -10.453 -1.992 0.937) 10.682 11.996 ( 8.336 -4.699 2.973) 10.021 12.200 ( -2.143 4.467 -1.417) 5.153 12.238 ( 2.119 3.612 -2.925) 5.109 12.270 ( 0.222 -2.029 -2.167) 2.976 12.328 ( 1.120 -3.689 -2.573) 4.635 12.499 ( 5.639 2.569 1.608) 6.402 12.572 ( 4.663 -3.873 -3.525) 7.012 12.616 ( 3.887 0.353 -0.913) 4.009 12.660 ( -0.319 -3.225 -0.539) 3.285 12.934 ( -0.470 9.800 1.930) 10.000 13.083 ( -0.548 -1.783 -4.210) 4.605 13.162 ( -0.351 2.070 -4.797) 5.237 13.209 ( -3.236 -3.568 -3.259) 5.815 13.333 ( 0.006 -1.660 1.974) 2.579 13.372 ( 0.857 -4.876 -0.541) 4.981 13.464 ( -0.001 1.694 -4.580) 4.883 13.499 ( -3.606 -1.700 -4.708) 6.169 13.935 ( 2.575 9.764 4.136) 10.912 14.097 ( 4.799 -5.892 10.703) 13.126 14.224 ( -1.027 5.864 -1.359) 6.106 14.346 ( 0.019 -6.435 2.438) 6.882 14.648 ( -1.724 -1.040 2.338) 3.085 14.715 ( 4.818 -6.703 1.238) 8.347 14.807 ( -2.273 5.952 2.160) 6.728 14.885 ( 0.349 -1.682 -0.056) 1.718 15.123 ( 3.126 10.278 -8.239) 13.539 15.202 ( -3.462 2.544 -2.459) 4.951 15.229 ( -1.422 -0.883 -0.501) 1.747 15.348 ( 0.974 -10.129 -5.960) 11.793 15.923 ( -1.552 5.527 -1.095) 5.844 15.970 ( -2.952 0.494 -2.690) 4.025 16.094 ( 0.146 7.050 -0.228) 7.055 16.195 ( 1.431 -2.447 -0.673) 2.914 16.505 ( 0.861 3.879 12.594) 13.206 16.647 ( 2.151 -9.317 14.414) 17.297 17.046 ( 0.084 6.731 2.247) 7.097 17.187 ( -0.276 -7.012 0.743) 7.057 17.327 ( -0.149 1.249 1.352) 1.847 17.384 ( -0.478 -4.401 -0.118) 4.429 17.652 ( 0.353 2.875 -2.047) 3.547 17.688 ( -0.452 -0.900 -2.044) 2.278 21.063 ( -0.510 3.382 0.316) 3.435 21.137 ( 1.390 -2.994 -1.931) 3.824 21.212 ( -1.195 1.132 0.141) 1.653 21.272 ( -1.752 -3.893 -1.735) 4.608 22.110 ( -2.035 1.236 3.535) 4.262 22.131 ( -1.537 -0.903 4.450) 4.794 22.497 ( 1.207 7.950 -0.167) 8.043 22.639 ( 1.182 -6.001 -2.180) 6.493 23.057 ( 2.295 7.442 3.027) 8.356 23.176 ( 1.229 -3.442 -1.064) 3.807 23.328 ( -1.207 4.221 1.304) 4.580 23.409 ( -3.279 -2.500 0.243) 4.130 23.443 ( 1.833 4.709 3.834) 6.343 23.579 ( -0.241 -3.928 -2.311) 4.564 24.245 ( -0.484 2.923 -1.617) 3.375 24.316 ( 0.449 -2.898 -0.810) 3.042 24.536 ( 1.587 1.465 -3.304) 3.947 24.604 ( 0.926 -4.466 -3.102) 5.516 24.835 ( -3.505 2.402 -7.376) 8.512 24.898 ( -2.228 -4.192 -10.327) 11.366 25.339 ( 2.582 0.870 7.902) 8.358 25.394 ( 1.779 -4.649 4.180) 6.500 26.499 ( 1.021 12.703 4.153) 13.404 26.717 ( 1.932 -8.517 -2.267) 9.023 27.094 ( -0.875 0.020 0.450) 0.984 27.096 ( 0.239 -0.101 0.395) 0.472 27.131 ( -0.314 0.914 -0.290) 1.009 27.155 ( -0.310 -1.416 -0.933) 1.724 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 11.281 18.178 5.006) 21.971 1.532 ( 11.817 12.378 8.533) 19.122 1.632 ( 3.367 -4.794 -3.896) 7.036 1.764 ( 6.778 -10.523 2.327) 12.732 1.920 ( 2.680 -1.881 5.332) 6.257 1.983 ( 10.680 -3.785 -0.147) 11.332 2.160 ( -1.634 -1.314 -1.307) 2.471 2.208 ( -2.113 -2.345 -3.450) 4.676 2.252 ( -0.461 0.738 -1.725) 1.932 2.294 ( -3.742 -0.312 -1.340) 3.987 2.457 ( 0.264 1.677 -1.506) 2.269 2.490 ( 0.329 -2.402 -4.335) 4.967 2.561 ( 4.699 13.320 5.039) 14.996 2.593 ( 0.306 1.071 0.946) 1.461 2.644 ( 2.519 2.422 3.132) 4.692 2.745 ( 9.876 13.490 7.035) 18.139 2.784 ( 6.275 -4.822 2.000) 8.162 2.925 ( 3.426 -2.690 3.936) 5.871 3.007 ( 3.112 -1.949 6.711) 7.650 3.033 ( -4.032 5.120 -0.973) 6.589 3.041 ( 0.434 0.781 -2.001) 2.192 3.155 ( -1.642 2.943 -5.613) 6.547 3.223 ( -4.304 -4.724 -5.013) 8.122 3.334 ( 1.371 -1.689 4.899) 5.360 3.373 ( 2.994 6.141 -0.357) 6.841 3.429 ( -0.373 -1.315 0.348) 1.410 3.494 ( 0.952 -4.788 -0.033) 4.882 3.534 ( -3.433 -0.708 -1.843) 3.960 3.586 ( 3.472 -2.947 1.063) 4.677 3.592 ( 0.482 -0.735 0.430) 0.979 3.674 ( -1.817 1.451 -0.600) 2.401 3.746 ( 1.103 -2.324 3.410) 4.272 3.830 ( 4.056 0.280 -0.147) 4.068 3.904 ( 4.546 -5.362 -0.338) 7.038 4.118 ( 1.379 1.176 1.061) 2.100 4.179 ( 2.951 -3.910 -2.635) 5.562 4.264 ( -0.940 7.292 0.834) 7.399 4.403 ( -2.903 -5.069 -3.412) 6.765 4.642 ( -1.908 3.652 -1.151) 4.278 4.671 ( -1.052 1.356 0.337) 1.749 4.704 ( -2.368 -0.225 1.930) 3.063 4.769 ( -4.117 -5.272 -0.799) 6.737 4.909 ( -4.652 2.793 -0.138) 5.428 4.968 ( -0.796 -2.131 -2.262) 3.208 5.142 ( 0.633 3.926 -3.786) 5.491 5.200 ( -4.578 3.854 -2.906) 6.653 5.235 ( 0.821 -3.871 -4.068) 5.675 5.267 ( -4.413 -2.901 -0.871) 5.352 5.455 ( 1.133 2.997 -0.310) 3.219 5.513 ( 3.410 -1.811 -0.692) 3.922 5.608 ( 1.007 4.441 4.036) 6.085 5.658 ( 2.210 0.048 1.672) 2.771 5.923 ( 6.079 0.452 -0.079) 6.096 5.971 ( 3.657 -3.786 2.492) 5.824 6.158 ( 0.099 4.794 -1.737) 5.100 6.250 ( 2.430 -3.502 -1.278) 4.450 6.318 ( 0.507 1.764 3.355) 3.824 6.419 ( -2.561 -7.029 3.332) 8.190 6.529 ( -3.632 3.517 -3.124) 5.943 6.597 ( -1.470 -2.661 -2.186) 3.744 6.881 ( -5.123 2.911 -2.374) 6.353 6.957 ( -4.912 -4.030 -4.102) 7.563 7.166 ( -3.444 3.532 -1.374) 5.121 7.222 ( -5.848 -2.762 0.216) 6.471 7.653 ( 4.749 1.677 0.318) 5.046 7.702 ( 0.959 1.305 -1.547) 2.239 7.792 ( -1.080 3.581 8.041) 8.868 7.917 ( -5.820 -3.112 1.488) 6.766 8.077 ( -7.646 1.035 -5.253) 9.334 8.089 ( -7.075 3.948 2.468) 8.470 8.154 ( 6.921 2.004 0.843) 7.254 8.254 ( 2.025 -3.175 0.990) 3.893 8.477 ( -5.513 8.317 1.878) 10.153 8.581 ( 0.625 -0.211 5.492) 5.532 8.641 ( -8.134 1.709 6.473) 10.535 8.659 ( 0.065 0.544 9.246) 9.263 8.744 ( 1.457 2.958 3.087) 4.517 8.829 ( -3.543 -2.234 4.452) 6.112 8.937 ( 0.622 2.549 -6.964) 7.442 9.035 ( -2.846 -3.528 -6.597) 8.004 9.262 ( -4.418 6.204 -4.210) 8.702 9.346 ( -9.675 -0.259 -0.358) 9.685 9.524 ( 0.557 4.845 -2.143) 5.327 9.596 ( 1.321 -4.656 3.825) 6.169 9.643 ( -3.181 -2.387 -0.341) 3.992 9.761 ( -4.896 -9.705 -0.588) 10.886 9.950 ( 1.976 3.492 1.412) 4.254 9.993 ( -0.078 -1.598 0.446) 1.660 10.267 ( 2.160 5.523 -0.515) 5.953 10.304 ( 0.164 4.378 4.661) 6.396 10.326 ( 6.419 1.427 3.209) 7.317 10.431 ( 3.424 -8.079 3.286) 9.370 10.454 ( 6.290 3.013 -0.632) 7.003 10.529 ( 2.385 -4.055 0.608) 4.744 10.698 ( -1.106 2.516 0.470) 2.789 10.761 ( -3.825 -2.635 -2.688) 5.367 10.889 ( 0.267 5.053 -3.076) 5.921 10.938 ( 1.282 0.587 1.937) 2.396 10.996 ( -1.687 3.193 -3.813) 5.251 11.047 ( -7.214 -2.865 -1.406) 7.889 11.083 ( -2.435 -3.751 2.653) 5.199 11.134 ( -1.746 -7.035 -1.175) 7.343 11.315 ( 2.691 2.640 -2.593) 4.576 11.352 ( 3.591 1.564 1.765) 4.297 11.428 ( 4.792 -1.974 -0.972) 5.273 11.474 ( 2.805 -6.312 -6.449) 9.449 11.637 ( 6.394 -1.723 -8.843) 11.048 11.654 ( 5.026 -1.586 -3.729) 6.457 11.823 ( 2.486 5.467 4.123) 7.285 11.902 ( 0.508 0.597 3.096) 3.193 12.089 ( 2.294 1.146 3.079) 4.007 12.153 ( -4.411 -0.753 -4.628) 6.438 12.192 ( 5.765 -2.093 -2.275) 6.541 12.231 ( 7.460 -7.057 2.851) 10.658 12.360 ( 6.914 -0.767 -1.808) 7.188 12.370 ( 5.751 -1.390 -0.743) 5.963 12.646 ( 5.603 3.892 -7.140) 9.875 12.704 ( 9.563 -1.440 -3.922) 10.436 12.805 ( 13.133 2.072 4.478) 14.030 12.847 ( 16.493 -2.769 0.516) 16.732 12.958 ( 2.170 2.454 1.594) 3.644 13.005 ( -3.130 1.243 -3.267) 4.692 13.107 ( -1.694 -0.429 -3.547) 3.954 13.150 ( -1.396 -4.031 -1.740) 4.607 13.354 ( 1.122 2.385 1.329) 2.952 13.381 ( 3.009 0.070 0.455) 3.044 13.464 ( 4.177 -0.994 -4.816) 6.452 13.496 ( 3.414 -4.880 -3.299) 6.809 14.003 ( 0.902 9.874 2.956) 10.347 14.167 ( -1.628 -2.673 0.590) 3.185 14.286 ( 3.405 -3.672 3.660) 6.203 14.331 ( 1.578 -5.608 1.941) 6.141 14.642 ( -2.475 2.459 5.117) 6.194 14.689 ( -4.105 -0.714 -3.279) 5.302 14.849 ( 4.375 7.635 -1.418) 8.913 14.991 ( 6.937 -6.000 3.058) 9.668 15.111 ( -1.798 5.138 -4.258) 6.912 15.175 ( 5.032 5.719 -3.901) 8.559 15.204 ( -1.128 -3.323 0.100) 3.511 15.320 ( 0.932 -8.400 -5.513) 10.090 15.837 ( -8.003 2.117 0.675) 8.306 15.851 ( -7.086 1.273 2.567) 7.643 16.069 ( -2.118 7.650 -1.072) 8.009 16.178 ( -3.021 -3.160 -1.271) 4.552 16.546 ( -3.851 5.881 9.251) 11.619 16.707 ( -3.659 -8.387 8.699) 12.625 17.040 ( -2.361 4.589 2.912) 5.926 17.133 ( -5.117 -4.675 0.526) 6.951 17.281 ( -5.026 1.244 1.951) 5.533 17.344 ( -3.101 -4.713 0.164) 5.644 17.574 ( -6.116 1.964 -2.250) 6.807 17.590 ( -6.962 0.215 -1.879) 7.214 21.108 ( 4.235 3.490 -0.382) 5.501 21.181 ( 4.117 -2.232 -2.636) 5.374 21.211 ( 0.866 0.175 0.274) 0.925 21.271 ( 2.527 -4.075 -0.952) 4.889 22.106 ( -0.728 1.975 3.338) 3.946 22.143 ( -0.154 -1.727 4.141) 4.489 22.537 ( 2.600 7.526 0.664) 7.990 22.658 ( 2.004 -4.366 -2.249) 5.305 23.142 ( 3.027 7.207 3.162) 8.432 23.193 ( 0.846 1.117 -1.910) 2.369 23.318 ( -0.274 3.712 0.473) 3.752 23.356 ( -1.370 0.876 -1.561) 2.255 23.528 ( 3.921 -1.653 4.549) 6.229 23.551 ( -0.687 1.069 -0.647) 1.426 24.216 ( -2.450 -1.806 -0.452) 3.077 24.294 ( -2.347 -6.588 -3.877) 7.997 24.533 ( -0.754 2.629 -0.268) 2.749 24.585 ( -2.124 -2.136 0.514) 3.056 24.710 ( -3.065 1.168 -6.814) 7.563 24.763 ( -1.799 -4.622 -10.092) 11.245 25.343 ( -5.168 1.039 7.042) 8.796 25.387 ( -3.455 -3.397 4.323) 6.493 26.414 ( -11.624 9.695 3.890) 15.628 26.556 ( -14.461 -3.709 -1.344) 14.989 27.141 ( 3.429 0.338 -0.036) 3.446 27.147 ( 3.757 -0.248 0.184) 3.769 27.183 ( 5.589 0.012 -0.356) 5.600 27.208 ( 5.744 -2.396 -1.413) 6.382 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 14.390 9.848 2.452) 17.609 1.724 ( 7.441 2.075 -0.976) 7.786 1.821 ( 10.298 3.175 4.395) 11.638 1.915 ( 5.300 -4.291 -2.530) 7.273 1.993 ( -0.122 4.906 1.125) 5.035 2.081 ( -2.424 -2.214 4.639) 5.683 2.098 ( -4.076 -2.584 0.625) 4.866 2.164 ( 2.466 -6.500 5.475) 8.849 2.259 ( 8.252 2.906 -6.720) 11.032 2.325 ( 3.541 -4.601 0.738) 5.853 2.407 ( -1.263 2.629 -3.950) 4.910 2.522 ( 4.253 -7.124 -4.200) 9.299 2.602 ( 1.755 2.285 -0.760) 2.980 2.633 ( 1.671 0.188 0.548) 1.769 2.742 ( 1.486 5.074 2.746) 5.958 2.774 ( -6.670 3.039 -1.578) 7.498 2.829 ( -5.974 -3.573 -0.741) 7.000 2.892 ( -2.555 -6.380 -2.730) 7.395 3.060 ( 0.621 3.237 2.624) 4.213 3.081 ( 0.937 2.047 1.545) 2.730 3.162 ( 9.195 0.116 1.238) 9.279 3.186 ( 9.642 -2.156 1.188) 9.951 3.274 ( 1.487 8.357 1.778) 8.673 3.357 ( -3.131 -0.378 -3.259) 4.535 3.374 ( 2.882 4.634 5.073) 7.451 3.456 ( 4.498 6.037 -1.334) 7.646 3.487 ( 3.739 -2.439 5.813) 7.329 3.571 ( 2.765 -5.173 0.915) 5.936 3.606 ( 1.781 1.774 0.184) 2.521 3.680 ( 3.694 -3.503 0.860) 5.163 3.757 ( 6.379 4.711 2.836) 8.422 3.800 ( 2.299 0.026 3.830) 4.467 3.903 ( 5.805 1.946 -4.826) 7.796 3.988 ( 4.658 -2.727 -2.240) 5.844 4.130 ( -0.949 2.391 0.757) 2.681 4.187 ( -3.211 -3.472 2.850) 5.521 4.281 ( 2.832 1.787 -0.251) 3.358 4.325 ( -2.361 -3.730 -1.538) 4.675 4.512 ( -7.687 4.386 -2.159) 9.109 4.594 ( -5.569 1.983 -0.798) 5.965 4.623 ( -7.132 -1.112 0.008) 7.218 4.670 ( -3.008 -6.636 -0.169) 7.288 4.802 ( -5.725 4.298 0.534) 7.179 4.910 ( -4.206 -2.885 -1.520) 5.322 5.021 ( -6.497 1.569 -2.567) 7.160 5.084 ( -6.610 -2.355 -3.421) 7.807 5.209 ( 1.341 2.840 -5.207) 6.081 5.261 ( 2.753 -2.783 -3.054) 4.965 5.448 ( -2.902 1.765 3.131) 4.620 5.486 ( -4.490 -1.660 -0.009) 4.787 5.692 ( 1.316 3.150 2.663) 4.329 5.714 ( 1.703 1.487 0.193) 2.269 5.981 ( 2.684 3.637 -1.400) 4.732 6.066 ( 2.760 -3.531 -0.280) 4.490 6.215 ( 5.884 4.654 -2.284) 7.842 6.328 ( 5.335 -4.629 -1.297) 7.181 6.331 ( 0.622 0.865 0.081) 1.069 6.394 ( -1.627 -4.862 3.706) 6.326 6.473 ( -1.207 4.775 0.272) 4.933 6.552 ( -2.313 -2.608 -0.276) 3.497 6.836 ( 1.288 2.499 -0.729) 2.904 6.883 ( -0.471 -1.897 -1.990) 2.789 7.089 ( -1.678 1.576 -0.116) 2.305 7.112 ( -3.732 -0.738 0.251) 3.813 7.610 ( -5.823 6.356 -4.166) 9.574 7.679 ( -1.836 1.506 -3.794) 4.476 7.735 ( -7.468 10.199 1.510) 12.730 7.905 ( 0.526 -0.376 5.135) 5.175 7.960 ( -1.108 -2.945 -1.443) 3.461 8.027 ( 3.721 -4.000 5.298) 7.610 8.281 ( 1.733 1.931 0.447) 2.633 8.314 ( -1.030 0.488 0.018) 1.140 8.384 ( -4.545 7.711 -1.657) 9.102 8.543 ( -1.147 -4.451 1.325) 4.784 8.596 ( -0.329 3.977 8.485) 9.377 8.714 ( -2.866 -7.090 6.523) 10.051 8.803 ( 2.583 2.822 4.617) 5.996 8.844 ( 1.461 -0.735 3.623) 3.975 8.914 ( -1.060 2.453 -3.589) 4.474 8.985 ( -1.837 -3.998 -1.103) 4.536 9.142 ( -2.722 3.663 -1.203) 4.719 9.208 ( -2.185 -2.888 -0.251) 3.630 9.503 ( 0.435 8.866 -4.425) 9.919 9.558 ( -5.541 -1.859 5.512) 8.034 9.581 ( -3.606 -4.295 0.973) 5.691 9.692 ( -1.575 -9.289 -3.807) 10.161 9.886 ( -5.404 1.119 -1.144) 5.636 9.932 ( -4.478 -2.511 -0.405) 5.150 10.240 ( -6.008 5.650 3.828) 9.093 10.326 ( -0.425 3.088 2.727) 4.141 10.398 ( -1.500 1.568 2.353) 3.201 10.425 ( 1.351 -2.698 -3.766) 4.826 10.577 ( -1.556 1.818 -5.706) 6.187 10.633 ( 2.594 9.901 3.454) 10.802 10.670 ( -0.745 -1.990 -4.079) 4.599 10.770 ( 6.222 -1.118 6.378) 8.981 10.870 ( -0.971 -3.669 -2.409) 4.495 10.898 ( -2.335 -8.237 1.572) 8.704 10.978 ( 0.613 6.390 -2.024) 6.731 11.005 ( 2.258 0.800 3.458) 4.207 11.094 ( -0.210 -5.129 8.493) 9.924 11.122 ( 1.826 -6.243 1.492) 6.673 11.356 ( -1.610 0.554 -6.342) 6.567 11.383 ( 5.630 -2.750 -5.515) 8.347 11.498 ( 2.695 -0.439 2.558) 3.742 11.542 ( 4.119 -2.444 -0.061) 4.790 11.721 ( 8.513 6.411 -4.564) 11.593 11.776 ( 7.261 -0.952 0.720) 7.358 11.901 ( -0.080 4.666 -0.344) 4.679 11.978 ( -0.001 -3.762 -2.814) 4.698 12.049 ( 3.931 2.388 -2.415) 5.195 12.153 ( 6.125 -7.610 -3.963) 10.542 12.335 ( 4.995 -1.125 2.151) 5.554 12.345 ( 5.406 -2.551 -2.426) 6.451 12.506 ( 6.981 1.729 1.261) 7.302 12.541 ( 3.881 -0.902 -0.237) 3.991 12.664 ( 4.593 3.630 -3.901) 7.035 12.801 ( 2.008 -6.384 -2.808) 7.258 12.878 ( -2.524 3.754 -3.255) 5.573 12.931 ( -2.861 -0.689 1.256) 3.199 13.055 ( 0.206 -0.908 0.519) 1.066 13.123 ( 1.065 -5.052 2.962) 5.952 13.209 ( 15.322 0.796 3.298) 15.693 13.224 ( 10.750 -0.483 3.633) 11.357 13.360 ( 0.705 7.776 -2.442) 8.181 13.506 ( 1.058 -6.580 -5.912) 8.909 13.570 ( 12.878 1.789 -4.174) 13.655 13.620 ( 13.813 -3.580 -4.940) 15.101 14.050 ( 3.804 2.936 2.494) 5.414 14.144 ( 1.324 -5.239 -0.629) 5.440 14.321 ( 1.696 3.471 0.077) 3.864 14.434 ( 1.503 -6.293 4.280) 7.757 14.562 ( -3.857 5.031 -3.257) 7.127 14.638 ( 1.203 -3.110 -1.643) 3.718 14.907 ( 1.868 9.545 -3.373) 10.295 15.021 ( -4.234 3.829 -3.026) 6.461 15.114 ( 1.387 -7.380 1.657) 7.690 15.126 ( -7.484 -3.175 -1.684) 8.302 15.323 ( 9.067 1.200 1.199) 9.225 15.373 ( 7.164 -3.479 -0.159) 7.966 15.678 ( -7.358 3.552 4.517) 9.336 15.731 ( -6.145 -1.325 5.794) 8.549 15.983 ( -5.804 4.265 -2.727) 7.701 16.035 ( -9.589 -0.625 -3.372) 10.183 16.482 ( -6.250 6.646 4.868) 10.340 16.643 ( -5.173 -7.836 2.762) 9.787 16.977 ( -5.159 1.621 0.640) 5.446 17.015 ( -6.259 -1.670 1.343) 6.615 17.184 ( -4.869 3.810 2.098) 6.529 17.281 ( -2.933 -5.147 0.430) 5.940 17.412 ( -7.284 2.001 -1.929) 7.796 17.437 ( -6.543 -0.247 -0.745) 6.590 21.200 ( 4.770 1.391 -1.034) 5.075 21.250 ( 3.171 -1.550 0.195) 3.535 21.258 ( 4.361 0.704 -2.108) 4.895 21.338 ( 3.319 -5.188 0.817) 6.212 22.120 ( -0.202 2.668 3.754) 4.610 22.172 ( 0.240 -2.491 4.386) 5.050 22.602 ( 3.039 5.913 0.607) 6.675 22.672 ( 0.543 -0.943 -3.345) 3.518 23.150 ( -0.430 7.399 -3.395) 8.152 23.229 ( 2.005 1.325 1.022) 2.612 23.318 ( -0.572 5.492 1.401) 5.696 23.333 ( -0.190 4.392 -1.115) 4.535 23.576 ( 4.034 2.177 1.845) 4.941 23.675 ( 7.188 -6.474 5.236) 10.999 24.117 ( -7.990 -7.322 0.498) 10.849 24.143 ( -8.193 -8.403 -6.256) 13.300 24.498 ( -2.531 1.294 -0.152) 2.847 24.516 ( -3.445 -0.823 -1.308) 3.775 24.672 ( 2.147 3.520 -4.529) 6.124 24.739 ( 3.331 -3.409 -6.792) 8.298 25.291 ( -3.210 4.511 6.717) 8.704 25.375 ( 0.342 -4.046 5.314) 6.687 26.129 ( -17.124 5.846 2.602) 18.281 26.195 ( -18.603 -0.539 -2.641) 18.798 27.213 ( 3.528 0.744 -0.099) 3.607 27.230 ( 3.797 -0.862 0.130) 3.896 27.296 ( 5.096 0.272 0.110) 5.105 27.325 ( 5.647 -2.633 -1.325) 6.370 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -0.326 0.700 -1.792) 1.951 1.856 ( 2.860 -0.116 -0.870) 2.992 1.913 ( 3.477 3.563 0.297) 4.987 1.970 ( 3.011 0.014 -1.102) 3.206 2.010 ( 1.801 -0.811 1.154) 2.288 2.029 ( 0.994 -3.383 4.822) 5.973 2.215 ( 4.134 3.338 4.808) 7.166 2.256 ( -5.671 0.184 1.579) 5.890 2.317 ( 3.335 -0.304 2.520) 4.191 2.363 ( 2.599 -4.818 0.545) 5.501 2.483 ( 8.109 4.008 -1.195) 9.124 2.548 ( -2.716 1.296 3.271) 4.444 2.565 ( -5.144 -3.661 1.694) 6.537 2.657 ( 0.958 -5.379 0.248) 5.469 2.722 ( 5.193 2.167 0.079) 5.628 2.724 ( -2.213 2.909 -3.791) 5.266 2.766 ( 3.505 -2.066 -0.301) 4.080 2.823 ( -1.112 -6.669 -5.746) 8.873 3.025 ( -3.275 4.537 2.136) 5.989 3.099 ( -3.825 -2.034 2.343) 4.926 3.167 ( 0.123 5.328 -4.031) 6.683 3.252 ( -2.296 -2.855 -5.744) 6.813 3.389 ( 4.945 2.465 -2.551) 6.086 3.433 ( 8.614 -1.341 -0.613) 8.739 3.472 ( 5.252 3.620 2.203) 6.749 3.538 ( -0.350 1.894 1.453) 2.413 3.575 ( -0.330 0.182 4.769) 4.784 3.625 ( 1.739 -0.604 2.722) 3.286 3.654 ( -2.310 -3.007 2.751) 4.685 3.699 ( -0.044 -3.596 1.905) 4.070 3.876 ( 4.852 6.850 4.378) 9.468 3.917 ( 1.173 1.605 2.857) 3.481 3.997 ( 4.018 2.986 -0.929) 5.092 4.054 ( 3.566 0.261 -2.929) 4.622 4.099 ( -4.724 1.796 3.696) 6.261 4.124 ( 0.314 1.542 3.524) 3.859 4.315 ( 0.518 5.244 -2.153) 5.692 4.349 ( -1.693 -0.299 1.315) 2.164 4.379 ( -0.404 1.275 0.809) 1.563 4.470 ( -2.684 -1.012 -2.533) 3.827 4.514 ( -0.580 -0.934 -3.015) 3.210 4.610 ( -2.852 -4.626 -2.562) 6.008 4.686 ( -5.074 4.081 -0.063) 6.512 4.778 ( -5.820 -0.906 -2.461) 6.384 4.949 ( 0.052 -1.474 -1.045) 1.807 4.988 ( -0.194 -3.746 -1.970) 4.237 5.201 ( 2.025 4.727 -1.897) 5.481 5.304 ( 2.435 -5.256 -1.331) 5.943 5.395 ( -2.963 -0.087 0.984) 3.124 5.399 ( -2.940 -0.626 0.121) 3.009 5.646 ( -4.843 2.989 0.903) 5.762 5.691 ( -4.690 -1.115 1.239) 4.977 6.091 ( 7.592 3.167 -2.907) 8.724 6.111 ( 2.923 1.369 -1.349) 3.498 6.286 ( 1.595 0.454 -0.563) 1.751 6.309 ( -0.861 -1.355 -2.592) 3.049 6.376 ( -2.532 0.459 2.455) 3.556 6.406 ( 0.123 -1.950 4.750) 5.136 6.469 ( -0.086 3.204 -0.633) 3.267 6.508 ( -0.031 -0.992 -0.579) 1.149 6.898 ( 3.670 1.342 1.181) 4.082 6.918 ( 3.110 -0.366 1.348) 3.410 7.073 ( 0.058 5.124 -1.591) 5.366 7.110 ( 2.284 0.859 -2.198) 3.284 7.535 ( 0.731 5.051 -2.982) 5.911 7.600 ( -0.624 0.514 -0.900) 1.210 7.658 ( -1.838 10.551 -0.300) 10.715 7.838 ( -4.558 -6.197 1.876) 7.919 8.043 ( 1.762 3.538 1.060) 4.092 8.092 ( -2.277 0.821 0.845) 2.564 8.240 ( -2.367 4.918 1.364) 5.626 8.265 ( -1.685 2.640 1.054) 3.304 8.337 ( -0.202 -3.690 0.525) 3.733 8.459 ( -3.507 -11.747 0.519) 12.270 8.672 ( 0.498 3.481 -2.581) 4.362 8.720 ( -2.614 0.712 -1.231) 2.976 8.843 ( 1.746 1.396 4.977) 5.456 8.890 ( 1.615 -0.608 0.820) 1.910 8.899 ( -2.977 -4.179 3.563) 6.247 8.920 ( 0.332 -5.661 1.358) 5.831 9.155 ( 3.031 4.541 -1.094) 5.568 9.237 ( 2.866 -3.482 0.591) 4.548 9.426 ( -6.366 2.828 2.093) 7.273 9.485 ( -3.691 -2.911 0.086) 4.702 9.587 ( 3.224 2.426 0.979) 4.152 9.670 ( 1.418 -3.489 0.734) 3.837 9.815 ( -1.425 0.072 0.593) 1.545 9.856 ( -2.307 -2.001 0.493) 3.093 10.157 ( -3.583 5.468 2.685) 7.068 10.292 ( -2.809 -6.421 3.067) 7.650 10.347 ( -2.995 5.745 -0.710) 6.518 10.405 ( 0.382 -2.796 -6.265) 6.871 10.511 ( -0.699 6.365 -3.057) 7.096 10.606 ( -2.785 3.060 3.709) 5.557 10.699 ( 1.915 0.596 -1.732) 2.650 10.778 ( -3.808 -2.085 -1.009) 4.457 10.859 ( 0.722 0.569 0.755) 1.190 10.946 ( 1.729 -5.546 0.739) 5.856 11.028 ( 3.102 4.746 -1.035) 5.763 11.051 ( -0.516 -2.263 2.983) 3.779 11.111 ( -3.891 -2.366 2.963) 5.433 11.184 ( -0.342 -5.340 2.959) 6.115 11.336 ( 3.590 4.987 5.811) 8.458 11.448 ( 4.282 -4.951 4.852) 8.148 11.616 ( 7.668 -0.889 -0.289) 7.724 11.643 ( 3.961 -3.037 -0.495) 5.015 11.794 ( -1.431 3.951 -4.596) 6.228 11.832 ( -0.627 1.735 -6.645) 6.896 11.953 ( 4.221 0.947 0.601) 4.368 11.959 ( 5.236 -0.108 0.732) 5.288 12.113 ( -1.698 2.223 -0.881) 2.933 12.235 ( 3.891 -7.211 -2.544) 8.580 12.407 ( 3.853 1.047 -3.498) 5.309 12.456 ( 2.772 0.276 -2.112) 3.496 12.482 ( -2.276 -1.562 -4.558) 5.329 12.577 ( -0.616 -4.784 -0.097) 4.825 12.731 ( 2.467 1.047 -2.783) 3.864 12.775 ( -1.011 -2.380 -4.622) 5.296 12.884 ( 0.637 0.240 4.958) 5.005 12.919 ( -0.186 0.572 4.618) 4.657 13.037 ( -1.399 -0.621 2.401) 2.847 13.143 ( -1.367 -7.464 3.376) 8.305 13.329 ( 1.432 5.532 -3.044) 6.474 13.401 ( 3.590 -1.009 1.377) 3.975 13.477 ( 1.174 0.712 -3.796) 4.037 13.500 ( 4.529 -0.030 3.478) 5.711 13.758 ( 9.040 3.108 -7.471) 12.132 13.824 ( 8.796 -3.166 -6.875) 11.605 14.177 ( 3.155 3.352 -1.845) 4.960 14.246 ( 8.538 -2.261 0.483) 8.846 14.356 ( 2.004 0.931 -1.149) 2.491 14.398 ( -4.186 -4.054 0.230) 5.832 14.590 ( 4.712 4.584 4.164) 7.782 14.712 ( 5.344 -5.853 1.998) 8.174 14.818 ( -6.737 3.692 -2.560) 8.097 14.871 ( -10.011 -1.558 -3.065) 10.585 14.971 ( 0.908 5.804 -2.014) 6.210 15.106 ( -1.020 -7.492 -2.697) 8.028 15.483 ( 2.161 2.542 5.306) 6.268 15.534 ( 3.571 -2.640 1.962) 4.855 15.623 ( -2.622 3.244 2.815) 5.032 15.691 ( -4.002 -2.780 1.908) 5.233 15.814 ( -3.198 1.992 -1.816) 4.183 15.837 ( -3.982 -0.506 -1.433) 4.262 16.388 ( -4.647 8.099 2.050) 9.560 16.561 ( -3.494 -8.632 -0.451) 9.324 16.882 ( -2.794 1.477 -0.833) 3.269 16.911 ( -4.073 -1.027 0.173) 4.204 17.132 ( -1.742 5.369 2.140) 6.037 17.243 ( -1.101 -5.268 0.692) 5.426 17.296 ( -2.487 2.955 -1.404) 4.110 17.336 ( -2.611 -0.977 -0.674) 2.868 21.267 ( 2.167 1.341 -0.392) 2.578 21.314 ( 1.949 -0.859 -1.855) 2.824 21.327 ( 2.974 -1.027 1.731) 3.591 21.397 ( 1.848 -5.734 1.271) 6.157 22.144 ( -0.225 3.041 4.933) 5.799 22.204 ( -0.386 -2.789 5.444) 6.129 22.627 ( -1.865 3.309 -5.232) 6.465 22.649 ( 1.522 1.450 -1.830) 2.787 23.142 ( 1.378 9.502 -1.241) 9.681 23.277 ( 1.380 1.906 2.112) 3.162 23.296 ( -0.628 4.323 -1.690) 4.684 23.340 ( 0.346 4.231 2.808) 5.090 23.729 ( 8.721 3.440 3.297) 9.938 23.866 ( -3.665 -2.802 -3.403) 5.732 23.883 ( -0.544 -8.856 -0.193) 8.875 23.979 ( -6.203 -13.415 5.529) 15.780 24.444 ( -1.057 0.984 -3.027) 3.353 24.462 ( -1.074 -1.013 -1.980) 2.470 24.656 ( -0.320 5.447 -8.505) 10.105 24.756 ( 2.246 -4.794 -8.341) 9.879 25.321 ( 0.381 9.352 8.402) 12.578 25.470 ( 2.708 -5.600 7.868) 10.030 25.817 ( -12.740 3.631 -1.215) 13.303 25.858 ( -8.699 -0.694 -3.124) 9.269 27.267 ( 1.559 0.683 0.041) 1.702 27.286 ( 1.474 -1.125 -0.132) 1.858 27.371 ( 1.950 0.648 0.269) 2.072 27.401 ( 2.366 -2.264 -0.619) 3.333 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -5.266 4.000 -0.004) 6.613 1.845 ( -3.110 -2.479 0.214) 3.983 1.928 ( -3.613 2.161 -0.901) 4.305 1.983 ( -1.198 -0.496 -2.077) 2.448 2.003 ( -9.427 1.842 1.064) 9.665 2.070 ( -4.402 -0.343 3.137) 5.417 2.112 ( 1.361 1.052 4.582) 4.894 2.199 ( -4.639 -5.176 1.767) 7.171 2.349 ( 0.249 0.371 2.373) 2.414 2.408 ( -2.777 -4.796 1.037) 5.638 2.503 ( -2.457 0.072 -0.511) 2.510 2.519 ( 1.217 -0.674 -0.302) 1.424 2.647 ( 2.132 1.349 -3.199) 4.074 2.696 ( 4.385 -0.684 1.206) 4.599 2.712 ( 6.253 4.297 0.102) 7.588 2.840 ( 2.327 1.718 5.368) 6.098 2.861 ( 1.131 -3.636 2.398) 4.500 2.889 ( 8.468 -5.998 3.573) 10.975 2.981 ( -1.337 1.529 -3.436) 3.991 2.993 ( -2.294 0.427 -2.856) 3.688 3.131 ( -5.904 3.312 -5.288) 8.590 3.189 ( 0.693 -2.235 -3.132) 3.910 3.360 ( -4.438 2.930 -4.331) 6.858 3.414 ( -4.295 -0.525 -1.125) 4.470 3.444 ( -9.476 2.313 1.596) 9.885 3.531 ( -4.627 -5.974 0.848) 7.604 3.554 ( -4.274 5.082 3.516) 7.513 3.590 ( -1.215 2.113 0.061) 2.439 3.663 ( -0.298 3.354 1.308) 3.612 3.780 ( 0.877 -4.291 4.762) 6.470 3.842 ( -3.419 3.272 3.852) 6.102 3.878 ( -7.368 4.149 0.461) 8.469 4.041 ( -2.707 1.389 3.111) 4.351 4.068 ( -3.240 2.188 -2.165) 4.469 4.091 ( 2.079 -1.425 4.414) 5.083 4.164 ( 2.359 -4.626 1.816) 5.501 4.301 ( 2.212 2.908 1.740) 4.047 4.346 ( 2.857 -0.336 1.028) 3.055 4.435 ( 1.875 6.683 -0.872) 6.996 4.489 ( 3.696 3.050 -1.892) 5.152 4.524 ( 2.082 -3.374 -0.226) 3.971 4.585 ( 4.140 0.702 -5.855) 7.205 4.646 ( 1.370 2.785 -1.356) 3.387 4.758 ( 7.935 -3.782 -3.899) 9.616 4.994 ( 4.284 -1.989 0.198) 4.727 5.016 ( 2.928 -3.417 -0.894) 4.588 5.268 ( 3.543 2.276 -0.290) 4.221 5.341 ( 0.782 -3.672 -2.145) 4.324 5.360 ( -1.212 1.307 2.628) 3.176 5.394 ( 2.678 -1.368 1.226) 3.247 5.576 ( -1.434 1.218 -0.558) 1.963 5.589 ( -3.325 0.004 -1.653) 3.713 6.110 ( -1.369 3.533 -1.582) 4.106 6.165 ( -0.246 -1.947 -3.233) 3.782 6.226 ( -4.481 3.808 0.015) 5.880 6.294 ( -4.004 -2.222 -1.553) 4.835 6.374 ( 3.065 4.330 2.360) 5.806 6.472 ( 3.337 -3.664 3.716) 6.194 6.506 ( 5.082 1.424 0.540) 5.305 6.543 ( 2.929 -1.169 0.145) 3.157 6.935 ( -1.073 2.069 1.900) 3.007 6.966 ( -0.739 -0.490 3.822) 3.924 7.064 ( -1.006 4.007 -1.917) 4.554 7.088 ( -2.443 1.544 -3.622) 4.634 7.558 ( 2.817 10.888 -0.828) 11.278 7.623 ( 0.965 8.068 -2.153) 8.406 7.724 ( 7.177 -2.128 2.700) 7.958 7.757 ( -1.891 -5.651 -2.605) 6.503 7.989 ( -3.054 3.415 0.662) 4.629 8.052 ( 0.430 -1.193 0.258) 1.294 8.230 ( -0.344 2.978 1.133) 3.205 8.287 ( 1.256 0.903 0.700) 1.698 8.351 ( 2.957 2.720 0.798) 4.096 8.473 ( 2.278 -3.882 -0.307) 4.511 8.594 ( -3.809 -3.047 2.273) 5.381 8.652 ( -3.218 -1.752 -0.880) 3.769 8.789 ( -5.921 0.494 -1.230) 6.067 8.857 ( -3.935 -3.790 -0.975) 5.550 8.966 ( 4.740 -0.838 3.512) 5.959 9.026 ( 5.747 -6.137 4.685) 9.625 9.196 ( 0.781 4.284 -1.587) 4.634 9.274 ( 0.228 -2.734 0.718) 2.836 9.352 ( -2.113 2.478 5.152) 6.095 9.455 ( 0.127 -6.560 2.093) 6.887 9.623 ( -0.175 3.460 0.041) 3.464 9.695 ( -0.328 -2.562 -1.152) 2.828 9.831 ( 1.264 1.016 -0.838) 1.825 9.841 ( -0.023 0.628 -1.374) 1.511 10.164 ( 2.461 6.615 5.404) 8.889 10.271 ( 0.003 2.149 -1.781) 2.791 10.337 ( 1.343 -3.508 3.117) 4.882 10.373 ( 1.074 -4.107 -6.041) 7.384 10.530 ( 2.855 7.052 1.470) 7.749 10.609 ( 0.460 2.587 2.971) 3.966 10.705 ( 0.613 -4.016 -2.779) 4.922 10.723 ( 0.118 -4.721 -0.449) 4.744 10.858 ( -0.885 4.424 -0.702) 4.566 10.924 ( -3.141 -3.224 -5.163) 6.850 10.982 ( -4.664 0.674 3.557) 5.904 11.029 ( -3.177 -3.812 4.440) 6.658 11.122 ( 3.134 3.134 0.788) 4.502 11.182 ( 1.523 -1.883 0.189) 2.429 11.529 ( 5.640 4.786 10.297) 12.678 11.550 ( -4.206 1.538 1.607) 4.758 11.598 ( -4.086 -2.812 1.338) 5.137 11.677 ( -1.155 -6.584 3.813) 7.695 11.784 ( 1.813 3.417 -3.398) 5.149 11.822 ( 3.810 0.844 -3.030) 4.941 11.953 ( -6.511 -0.801 -0.387) 6.571 11.986 ( 0.193 -5.120 -3.130) 6.004 12.094 ( 1.102 7.422 -0.839) 7.550 12.289 ( 0.113 -8.938 -0.149) 8.940 12.335 ( -5.254 0.420 -4.089) 6.670 12.380 ( -2.702 -3.581 -4.147) 6.109 12.474 ( 1.740 6.122 -3.680) 7.352 12.608 ( 0.050 -6.192 1.528) 6.378 12.726 ( -1.405 0.590 -4.660) 4.903 12.767 ( 3.209 -2.917 -3.984) 5.889 12.891 ( -2.436 2.773 3.609) 5.162 12.962 ( 1.892 -1.227 3.341) 4.031 13.038 ( -0.592 -0.294 4.255) 4.307 13.140 ( 0.265 -7.319 1.913) 7.569 13.308 ( -4.469 1.523 -3.177) 5.691 13.337 ( -8.522 -0.057 -4.751) 9.757 13.450 ( -0.579 4.112 2.293) 4.743 13.546 ( 0.615 -4.905 -0.034) 4.943 13.822 ( -0.687 5.028 -4.863) 7.029 13.887 ( -1.656 -1.225 -5.640) 6.005 14.157 ( -3.457 6.745 4.190) 8.660 14.269 ( -9.437 -2.878 -0.292) 9.871 14.299 ( -3.129 0.960 -4.050) 5.207 14.352 ( -1.431 -6.161 -2.712) 6.883 14.519 ( -3.732 9.465 0.890) 10.213 14.718 ( -0.695 -9.332 -1.468) 9.473 14.850 ( 5.383 6.762 -1.309) 8.742 14.983 ( 6.096 -4.550 -3.111) 8.218 15.068 ( 12.148 -0.612 5.919) 13.527 15.112 ( 1.909 -3.953 3.102) 5.375 15.392 ( -5.182 0.378 -4.922) 7.157 15.438 ( -5.634 -3.464 -6.247) 9.097 15.585 ( -1.545 3.788 5.931) 7.204 15.629 ( -3.054 -0.535 5.918) 6.681 15.917 ( 7.568 1.906 0.302) 7.810 15.932 ( 8.422 0.172 1.127) 8.499 16.331 ( -2.142 7.381 1.392) 7.811 16.497 ( -2.158 -8.326 -2.373) 8.922 16.872 ( 0.865 0.184 -1.216) 1.504 16.882 ( 3.183 -1.074 -0.571) 3.407 17.137 ( 0.852 5.845 2.245) 6.319 17.250 ( 1.502 -4.763 1.189) 5.134 17.307 ( 4.150 2.323 -1.255) 4.919 17.334 ( 3.090 -0.376 -0.862) 3.230 21.276 ( -1.375 0.935 0.180) 1.672 21.304 ( -2.100 -1.826 -0.772) 2.888 21.359 ( -0.743 0.392 0.978) 1.289 21.434 ( 0.622 -6.936 1.717) 7.173 22.168 ( -1.132 2.669 6.219) 6.861 22.219 ( -2.209 -2.193 6.546) 7.248 22.549 ( -1.717 6.061 -5.769) 8.543 22.648 ( 0.760 -3.708 -4.460) 5.849 23.165 ( -0.489 11.346 -0.646) 11.375 23.243 ( -0.125 8.241 -1.836) 8.444 23.335 ( -0.383 -0.554 4.947) 4.993 23.400 ( 3.270 -4.493 3.535) 6.586 23.610 ( -9.923 0.923 -5.126) 11.207 23.773 ( -8.874 -10.463 1.911) 13.852 23.954 ( 11.545 10.348 2.829) 15.760 24.192 ( 12.080 -11.461 7.352) 18.202 24.428 ( 0.936 1.103 -1.661) 2.202 24.446 ( 1.159 -0.831 -2.154) 2.583 24.568 ( -0.544 6.718 -12.710) 14.387 24.720 ( 1.490 -8.498 -11.338) 14.247 25.298 ( -8.113 7.858 7.556) 13.589 25.417 ( -10.481 -4.226 6.865) 13.223 25.786 ( 10.693 8.629 -2.313) 13.934 25.920 ( 13.317 -4.791 -0.814) 14.176 27.268 ( -1.541 0.403 0.146) 1.600 27.280 ( -1.878 -0.738 -0.336) 2.045 27.374 ( -1.845 0.912 0.271) 2.076 27.411 ( -1.066 -2.776 -0.359) 2.995 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -15.102 13.068 0.525) 19.978 1.693 ( -13.438 11.464 2.205) 17.800 1.751 ( -6.985 -4.648 -3.223) 8.988 1.840 ( -4.133 0.407 2.573) 4.885 1.900 ( -7.272 -5.373 -0.933) 9.089 2.036 ( -2.890 -7.219 -0.482) 7.790 2.160 ( 0.503 -0.606 0.946) 1.231 2.183 ( 2.075 -0.758 3.345) 4.009 2.323 ( -4.549 0.335 -0.977) 4.665 2.365 ( -1.331 -2.974 -0.557) 3.305 2.444 ( -0.812 1.768 0.137) 1.950 2.526 ( -0.528 -4.470 -1.510) 4.748 2.668 ( -2.579 8.045 -0.450) 8.460 2.703 ( -4.460 3.046 -0.845) 5.467 2.784 ( -3.178 -1.973 -4.066) 5.525 2.796 ( -7.707 -1.158 -5.521) 9.551 2.819 ( -2.170 1.376 9.158) 9.512 2.865 ( -7.630 -2.856 2.001) 8.389 2.993 ( 5.042 5.652 2.294) 7.914 3.078 ( -0.976 5.219 2.185) 5.741 3.100 ( -2.000 0.798 0.902) 2.335 3.165 ( 6.465 0.187 0.267) 6.473 3.239 ( 3.303 -0.098 -4.038) 5.217 3.267 ( -4.447 3.173 -0.221) 5.468 3.353 ( -1.010 -2.520 -3.964) 4.805 3.428 ( -4.848 -7.653 2.313) 9.350 3.522 ( -3.369 3.307 0.676) 4.769 3.566 ( -4.638 2.337 1.938) 5.543 3.611 ( -1.848 3.089 1.510) 3.904 3.733 ( -4.871 2.812 1.061) 5.724 3.749 ( -5.942 -5.926 -0.500) 8.406 3.785 ( -2.844 -5.973 2.941) 7.239 3.956 ( -5.492 2.248 -0.222) 5.939 4.013 ( -4.092 -3.369 3.387) 6.290 4.112 ( -1.642 2.819 3.168) 4.547 4.183 ( -0.450 -4.256 -0.869) 4.367 4.362 ( 0.379 5.183 1.660) 5.456 4.438 ( 2.363 0.766 1.517) 2.910 4.520 ( 7.562 1.265 -1.149) 7.752 4.537 ( 3.953 3.116 -4.291) 6.614 4.602 ( 6.189 -0.463 -0.770) 6.254 4.651 ( 6.538 -5.741 -1.624) 8.851 4.809 ( 9.227 7.014 0.405) 11.597 4.900 ( 7.339 -1.023 -4.624) 8.734 5.073 ( 3.399 -2.413 -1.543) 4.445 5.098 ( 4.918 -4.959 -0.242) 6.989 5.280 ( -0.534 1.055 -1.778) 2.135 5.302 ( -1.031 -0.708 -3.235) 3.468 5.403 ( 3.313 3.515 1.762) 5.141 5.485 ( 4.423 -3.489 0.157) 5.636 5.541 ( -1.164 3.939 0.752) 4.176 5.595 ( 0.939 -1.194 0.111) 1.523 6.068 ( -3.066 4.095 -3.305) 6.090 6.100 ( -5.892 2.488 -1.216) 6.510 6.125 ( -0.155 -1.212 -2.087) 2.418 6.144 ( -9.001 -1.922 -2.441) 9.522 6.434 ( -1.039 4.435 3.666) 5.847 6.512 ( -2.125 -2.190 3.239) 4.451 6.568 ( 0.488 1.059 1.330) 1.769 6.641 ( 3.577 -5.760 0.987) 6.852 6.938 ( 1.143 -0.086 -1.535) 1.915 6.966 ( 1.285 -2.459 -1.563) 3.184 7.039 ( 2.341 3.350 0.648) 4.138 7.073 ( 4.656 0.141 3.369) 5.748 7.521 ( -0.457 6.941 -4.769) 8.433 7.638 ( -2.678 -4.007 -5.118) 7.030 7.784 ( 7.863 8.861 2.233) 12.055 7.900 ( 3.786 -3.450 3.949) 6.467 8.042 ( 4.488 7.164 5.978) 10.354 8.148 ( 7.880 -3.016 5.077) 9.848 8.239 ( -3.428 8.998 -3.970) 10.415 8.268 ( 2.364 8.113 0.240) 8.454 8.417 ( 0.747 3.421 0.749) 3.581 8.505 ( -2.030 -8.865 -3.815) 9.863 8.578 ( 1.166 0.675 5.521) 5.683 8.625 ( -0.807 -3.210 6.452) 7.251 8.700 ( 1.066 1.253 1.841) 2.469 8.763 ( -3.516 -4.701 1.313) 6.015 9.094 ( 5.469 -0.641 -0.326) 5.516 9.146 ( 2.795 -4.545 3.872) 6.593 9.181 ( -1.006 2.261 0.236) 2.486 9.277 ( -0.773 -6.309 5.610) 8.478 9.401 ( 3.462 2.341 2.887) 5.080 9.484 ( 2.090 -3.901 -3.700) 5.769 9.618 ( -0.348 1.246 1.554) 2.022 9.661 ( -0.602 -1.260 -3.043) 3.348 9.774 ( -2.657 1.306 -6.619) 7.251 9.806 ( -0.992 -0.990 -7.614) 7.742 10.264 ( 0.123 5.237 -1.135) 5.360 10.296 ( 5.283 4.708 4.303) 8.281 10.365 ( 1.780 2.234 3.839) 4.785 10.445 ( 2.939 -3.921 4.521) 6.668 10.559 ( -0.898 1.379 -4.185) 4.497 10.626 ( -0.729 -0.403 -6.026) 6.084 10.704 ( 3.629 6.363 2.371) 7.699 10.778 ( -2.218 -4.000 4.224) 6.226 10.808 ( -3.917 -4.402 -0.732) 5.938 10.872 ( 2.485 -6.038 3.377) 7.351 10.976 ( 3.563 0.975 0.152) 3.697 10.984 ( -1.563 -0.791 1.628) 2.392 11.203 ( 3.956 2.946 0.916) 5.017 11.238 ( 2.046 0.438 0.603) 2.178 11.361 ( -7.779 4.463 -0.929) 9.016 11.463 ( -8.544 -5.355 0.790) 10.114 11.601 ( -4.431 -0.391 -2.245) 4.983 11.652 ( -4.342 -2.905 0.099) 5.225 11.783 ( -2.789 0.442 6.281) 6.887 11.823 ( -5.140 -3.900 -0.522) 6.473 11.919 ( 5.684 3.305 0.550) 6.598 11.959 ( -3.190 0.978 0.765) 3.424 12.056 ( -1.617 -3.387 -8.597) 9.381 12.114 ( -7.466 -5.644 -4.204) 10.260 12.289 ( 1.510 7.824 3.076) 8.541 12.419 ( -5.242 5.760 -1.997) 8.040 12.445 ( 2.136 -5.940 1.397) 6.465 12.547 ( -5.925 -6.234 2.423) 8.936 12.668 ( -1.319 3.130 -3.306) 4.740 12.763 ( -4.701 -0.772 -6.640) 8.172 12.814 ( -4.074 -0.557 -0.400) 4.131 12.938 ( -10.064 -6.779 -6.708) 13.865 13.051 ( -2.738 6.173 5.562) 8.749 13.129 ( -6.032 -0.572 -1.537) 6.251 13.173 ( -1.061 -4.237 2.183) 4.883 13.199 ( 4.604 -5.089 -1.027) 6.939 13.496 ( 0.831 2.383 2.880) 3.829 13.550 ( 0.369 -3.246 -0.680) 3.337 13.602 ( -15.263 2.792 -3.559) 15.919 13.648 ( -13.604 -2.107 -5.084) 14.675 14.109 ( -6.172 4.813 -1.341) 7.940 14.126 ( -5.187 6.104 -2.599) 8.422 14.226 ( -5.376 -0.298 3.067) 6.196 14.255 ( 1.084 -6.393 -2.228) 6.857 14.519 ( 1.626 4.310 0.349) 4.620 14.700 ( 0.305 -11.191 -2.875) 11.559 14.924 ( 0.432 5.176 1.036) 5.296 14.997 ( -1.834 -2.248 -0.273) 2.914 15.093 ( 0.232 2.774 -4.599) 5.375 15.212 ( 2.213 -8.964 -2.790) 9.645 15.374 ( -2.347 0.496 0.055) 2.399 15.388 ( -2.028 -0.451 3.784) 4.317 15.705 ( 11.219 3.082 2.844) 11.977 15.721 ( 10.357 1.094 6.423) 12.236 16.043 ( 4.663 5.578 -1.293) 7.384 16.075 ( 5.421 1.382 -2.454) 6.109 16.318 ( -0.499 3.134 4.173) 5.243 16.446 ( -1.308 -7.986 -0.618) 8.116 16.923 ( 4.348 2.531 -0.632) 5.071 16.994 ( 7.046 -4.400 0.420) 8.318 17.190 ( 2.930 5.647 1.929) 6.648 17.308 ( 2.951 -5.849 0.874) 6.609 17.425 ( 8.084 3.010 -1.379) 8.736 17.457 ( 8.620 -0.170 -0.212) 8.625 21.222 ( -3.203 -0.702 -1.133) 3.469 21.228 ( -4.872 -1.995 0.279) 5.272 21.323 ( -2.878 2.457 0.094) 3.785 21.424 ( -2.846 -7.775 1.428) 8.402 22.169 ( -2.727 1.436 6.074) 6.811 22.194 ( -4.039 -1.007 5.900) 7.221 22.498 ( -0.163 7.514 -3.891) 8.463 22.637 ( 1.021 -6.236 -3.991) 7.473 23.096 ( -3.639 9.687 -2.176) 10.574 23.265 ( 0.049 1.922 -1.270) 2.304 23.327 ( -2.007 -2.895 1.027) 3.669 23.403 ( -3.446 6.228 2.613) 7.582 23.513 ( 0.679 -4.772 1.528) 5.057 23.630 ( -5.618 -8.539 1.048) 10.275 24.210 ( 8.649 11.117 4.003) 14.643 24.343 ( 0.016 -3.338 -1.200) 3.547 24.465 ( 6.389 12.559 -8.257) 16.332 24.520 ( 5.034 0.773 -0.110) 5.094 24.543 ( 5.320 -1.944 -3.316) 6.563 24.768 ( 11.483 -14.096 -6.335) 19.253 25.193 ( -4.618 4.301 5.189) 8.170 25.273 ( -6.736 -3.392 4.373) 8.718 26.062 ( 15.255 11.967 -0.279) 19.391 26.235 ( 16.603 -5.246 -0.372) 17.416 27.214 ( -3.632 0.026 0.105) 3.634 27.215 ( -4.000 -0.074 -0.403) 4.021 27.305 ( -4.916 0.989 0.124) 5.016 27.354 ( -4.317 -4.031 -0.576) 5.934 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -11.091 19.219 3.128) 22.408 1.426 ( -13.529 20.927 4.595) 25.339 1.612 ( -5.669 -9.339 -1.999) 11.106 1.755 ( -3.305 -3.869 -1.336) 5.260 1.827 ( -0.592 -6.370 4.442) 7.789 1.899 ( -9.179 -14.280 1.569) 17.048 2.183 ( 0.724 5.758 0.840) 5.864 2.210 ( -0.414 -0.743 -2.908) 3.029 2.248 ( -1.875 12.052 1.689) 12.313 2.314 ( -0.618 0.991 -1.349) 1.785 2.410 ( -2.415 1.552 -1.853) 3.417 2.529 ( 0.428 -1.826 -1.475) 2.387 2.557 ( -3.525 8.564 4.565) 10.325 2.595 ( -5.186 9.195 -0.069) 10.557 2.633 ( -3.412 -0.362 -4.151) 5.386 2.704 ( -5.484 0.108 2.825) 6.170 2.752 ( -5.549 -4.760 6.777) 9.969 2.842 ( -0.469 -1.994 1.600) 2.599 2.915 ( -5.046 1.318 3.184) 6.110 3.127 ( 1.247 -0.137 -3.653) 3.862 3.132 ( 1.186 3.348 -0.748) 3.630 3.237 ( 3.643 0.566 -2.234) 4.311 3.286 ( 0.894 1.520 -2.567) 3.114 3.326 ( 2.790 0.398 0.362) 2.841 3.347 ( 1.365 -4.534 -1.333) 4.919 3.393 ( -1.059 0.406 -0.642) 1.304 3.419 ( 0.867 -3.435 1.101) 3.710 3.508 ( -0.594 -10.185 2.692) 10.552 3.607 ( -2.671 2.146 0.478) 3.459 3.662 ( -1.894 3.691 3.066) 5.158 3.691 ( 0.021 -0.304 -0.942) 0.990 3.748 ( -2.600 -6.304 3.374) 7.608 3.833 ( -5.633 2.483 -0.420) 6.170 3.929 ( -5.433 -7.116 1.822) 9.137 4.098 ( -1.624 3.233 1.665) 3.982 4.154 ( -0.223 -1.878 -3.165) 3.687 4.329 ( -3.008 5.546 -0.162) 6.311 4.453 ( -0.376 -4.490 -0.219) 4.511 4.614 ( 1.338 3.524 -0.913) 3.878 4.649 ( 4.618 4.884 0.402) 6.734 4.673 ( 0.969 -1.492 -0.233) 1.794 4.752 ( 4.373 -4.933 -1.507) 6.762 4.946 ( 4.131 3.566 -0.556) 5.485 4.987 ( 4.179 -0.994 -4.684) 6.355 5.109 ( 2.129 0.511 -3.431) 4.070 5.175 ( 2.992 -5.509 -1.470) 6.439 5.265 ( 0.738 2.420 -2.504) 3.560 5.299 ( 1.740 -1.141 -2.019) 2.899 5.481 ( 2.816 3.644 0.450) 4.627 5.507 ( -3.162 3.965 4.072) 6.504 5.549 ( 0.571 -1.175 -0.421) 1.372 5.593 ( -0.433 -2.061 2.143) 3.004 5.888 ( -6.647 1.541 -1.855) 7.071 5.948 ( -6.089 -3.963 0.289) 7.271 6.108 ( 2.917 4.183 -2.593) 5.721 6.154 ( 3.420 -0.301 -1.765) 3.860 6.380 ( -5.016 3.777 3.528) 7.202 6.461 ( -3.776 -4.320 3.588) 6.767 6.596 ( 1.642 0.785 -1.074) 2.113 6.657 ( -0.204 -4.487 -1.335) 4.686 6.987 ( 5.213 0.736 -3.210) 6.166 7.054 ( 7.702 -5.345 -2.260) 9.643 7.138 ( 4.549 5.202 -0.739) 6.949 7.236 ( 4.402 -4.130 2.360) 6.481 7.531 ( 3.527 5.378 0.580) 6.458 7.612 ( 1.027 -2.565 1.941) 3.377 7.853 ( -1.577 5.378 2.272) 6.047 7.934 ( -4.676 -2.060 5.817) 7.743 8.097 ( -4.173 7.893 -3.046) 9.434 8.174 ( 1.816 6.952 1.197) 7.284 8.245 ( -3.046 -3.608 -1.242) 4.883 8.300 ( 3.599 -0.960 5.132) 6.341 8.441 ( -1.633 5.565 -0.111) 5.801 8.551 ( 8.017 0.512 0.547) 8.052 8.627 ( 2.740 0.050 7.467) 7.954 8.665 ( -2.479 -3.451 7.479) 8.602 8.743 ( 0.830 3.425 3.687) 5.100 8.840 ( 5.542 -2.948 2.879) 6.906 9.153 ( 3.443 2.489 -5.289) 6.783 9.187 ( 4.558 -1.756 -3.474) 5.994 9.224 ( 1.822 0.735 4.387) 4.806 9.287 ( -4.233 -4.627 5.325) 8.227 9.474 ( 3.250 0.606 -6.465) 7.261 9.494 ( 2.812 -2.710 -8.081) 8.975 9.599 ( 1.400 7.500 -1.311) 7.741 9.699 ( 4.418 1.454 2.847) 5.453 9.740 ( 3.143 -5.963 -0.894) 6.799 9.790 ( 4.605 -3.882 -1.859) 6.303 10.241 ( -2.349 3.407 2.179) 4.677 10.311 ( -5.477 -3.523 -0.445) 6.528 10.414 ( -7.697 2.559 1.078) 8.183 10.465 ( -0.604 -0.094 -1.449) 1.573 10.527 ( 4.565 12.048 2.999) 13.228 10.595 ( -2.577 2.814 0.607) 3.863 10.678 ( -0.094 -3.984 1.833) 4.387 10.716 ( -2.768 -4.900 -3.912) 6.854 10.889 ( 7.193 -0.768 3.165) 7.896 10.950 ( 3.273 -4.009 0.416) 5.192 11.041 ( 2.567 -0.754 6.031) 6.598 11.057 ( 0.894 -1.920 1.635) 2.675 11.161 ( -4.200 -1.045 -5.059) 6.658 11.215 ( -3.109 -1.163 -4.806) 5.841 11.318 ( -6.945 -1.499 0.751) 7.144 11.344 ( 0.943 -0.586 1.787) 2.104 11.482 ( -5.921 0.174 0.496) 5.944 11.533 ( -3.564 -4.490 -6.027) 8.318 11.689 ( -3.658 4.110 -2.713) 6.134 11.769 ( -0.389 -0.009 -0.016) 0.390 11.817 ( -6.232 -1.637 1.684) 6.660 11.898 ( -4.036 -4.289 1.474) 6.071 12.061 ( 0.629 1.387 0.975) 1.808 12.103 ( 2.237 -2.795 -1.404) 3.846 12.258 ( -4.815 6.175 -4.959) 9.269 12.354 ( -1.831 3.132 1.066) 3.782 12.377 ( -6.052 -4.115 0.957) 7.381 12.462 ( -13.481 -3.475 0.035) 13.922 12.496 ( -11.481 0.059 -9.250) 14.744 12.545 ( -6.780 -0.540 -3.953) 7.866 12.632 ( -1.606 2.038 -1.265) 2.887 12.757 ( -5.572 -8.473 -0.046) 10.142 12.960 ( -4.691 7.536 3.121) 9.409 13.097 ( 0.077 -1.575 -1.654) 2.285 13.205 ( -0.348 0.227 -1.083) 1.161 13.266 ( 1.787 -3.834 -4.396) 6.100 13.354 ( -4.032 -0.076 -2.469) 4.729 13.372 ( -4.184 -3.094 -1.377) 5.383 13.514 ( -1.603 2.884 -1.073) 3.470 13.590 ( -0.816 -3.636 -0.767) 3.805 13.941 ( -5.280 4.165 -2.588) 7.206 13.999 ( -2.653 -2.123 4.200) 5.403 14.230 ( 0.932 6.651 2.044) 7.020 14.298 ( 1.527 -1.740 2.930) 3.734 14.587 ( 4.821 -2.226 1.489) 5.515 14.684 ( -0.257 -9.594 -3.618) 10.257 14.875 ( -5.567 4.014 4.457) 8.183 14.931 ( -3.564 -1.117 0.042) 3.735 15.107 ( 3.433 9.361 -6.752) 12.042 15.251 ( 0.437 -3.128 0.302) 3.173 15.297 ( -4.688 0.589 -0.284) 4.734 15.349 ( 1.066 -6.505 -4.614) 8.046 15.908 ( 5.177 5.539 -0.568) 7.603 15.957 ( 6.498 0.386 1.452) 6.669 16.077 ( 1.722 7.327 -3.583) 8.336 16.146 ( 3.766 0.932 -2.245) 4.483 16.384 ( 2.123 0.628 10.736) 10.962 16.489 ( 3.129 -8.222 10.732) 13.877 17.005 ( 2.977 5.680 0.958) 6.484 17.131 ( 5.101 -6.624 0.934) 8.413 17.274 ( 3.907 3.462 1.157) 5.347 17.364 ( 2.109 -5.402 0.104) 5.800 17.582 ( 7.151 3.340 -1.549) 8.043 17.625 ( 7.070 -1.013 -0.856) 7.193 21.124 ( -4.889 -0.152 -0.001) 4.891 21.156 ( -2.000 -2.256 -1.567) 3.398 21.258 ( -3.104 2.602 -0.200) 4.055 21.348 ( -4.481 -6.168 -0.155) 7.626 22.142 ( -3.332 0.561 4.459) 5.595 22.148 ( -3.247 -0.153 4.995) 5.960 22.486 ( 0.469 8.005 -1.471) 8.153 22.636 ( 0.801 -6.718 -2.486) 7.207 23.034 ( -1.154 8.226 -0.025) 8.306 23.193 ( -2.253 -6.569 -2.695) 7.449 23.337 ( -0.073 6.661 1.608) 6.853 23.396 ( -0.162 5.961 4.551) 7.502 23.482 ( -4.258 -4.425 1.823) 6.406 23.586 ( 0.537 -7.486 -1.914) 7.745 24.269 ( -0.863 3.274 -0.583) 3.435 24.318 ( -0.137 -0.873 -1.893) 2.090 24.514 ( 3.484 3.084 -5.973) 7.572 24.587 ( 3.463 -3.627 -5.679) 7.576 24.806 ( 14.484 7.855 -1.432) 16.539 24.929 ( 3.248 -2.860 -4.872) 6.516 25.218 ( -0.401 -0.428 5.814) 5.844 25.249 ( 6.960 -4.612 5.705) 10.112 26.345 ( 11.209 13.606 1.958) 17.737 26.545 ( 13.613 -5.838 -0.937) 14.842 27.132 ( -3.462 0.376 -0.171) 3.486 27.141 ( -3.049 -0.347 -0.106) 3.071 27.196 ( -5.194 0.546 -0.059) 5.223 27.238 ( -6.061 -4.092 -0.802) 7.357 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -6.146 0.000 22.768) 23.583 1.100 ( 3.914 0.000 24.437) 24.748 1.484 ( 7.732 0.000 3.294) 8.405 1.496 ( 5.811 0.000 -16.317) 17.321 1.766 ( 0.961 0.000 -6.687) 6.756 1.830 ( -8.187 0.000 -5.418) 9.818 2.177 ( 0.318 0.000 4.873) 4.884 2.207 ( -1.894 0.000 -0.765) 2.042 2.259 ( 1.308 0.000 2.083) 2.459 2.308 ( -0.052 0.000 -2.140) 2.141 2.313 ( -0.882 0.000 5.474) 5.545 2.434 ( 1.111 0.000 -5.259) 5.375 2.585 ( -3.150 0.000 3.682) 4.846 2.606 ( -1.665 0.000 2.140) 2.711 2.681 ( -0.792 0.000 1.091) 1.348 2.700 ( 2.225 0.000 12.632) 12.826 2.716 ( 1.603 0.000 -1.003) 1.891 2.969 ( -3.899 0.000 0.466) 3.926 2.985 ( 2.804 0.000 -1.287) 3.085 3.040 ( -1.341 0.000 -6.451) 6.589 3.056 ( -0.962 0.000 0.112) 0.968 3.087 ( 3.798 0.000 -10.477) 11.144 3.243 ( -2.085 0.000 -0.370) 2.117 3.246 ( 3.607 0.000 -1.648) 3.965 3.334 ( 5.227 0.000 10.505) 11.734 3.343 ( -1.360 0.000 5.171) 5.346 3.429 ( -1.059 0.000 -3.397) 3.558 3.523 ( -1.814 0.000 -8.808) 8.993 3.641 ( -2.273 0.000 0.322) 2.296 3.661 ( 4.500 0.000 -0.934) 4.596 3.725 ( -0.784 0.000 1.462) 1.659 3.752 ( 0.764 0.000 -1.314) 1.520 3.813 ( 1.344 0.000 -2.744) 3.056 3.825 ( -7.575 0.000 -1.626) 7.748 4.193 ( -1.207 0.000 4.141) 4.313 4.269 ( -0.164 0.000 -3.165) 3.169 4.411 ( -2.047 0.000 1.733) 2.682 4.444 ( 1.660 0.000 -0.997) 1.936 4.687 ( 2.649 0.000 -1.576) 3.083 4.694 ( -1.034 0.000 -2.791) 2.977 4.739 ( 4.453 0.000 7.428) 8.660 4.766 ( -1.449 0.000 4.865) 5.077 4.921 ( -0.748 0.000 -1.741) 1.894 4.970 ( 0.270 0.000 -6.993) 6.998 5.028 ( -1.438 0.000 2.051) 2.505 5.086 ( 2.585 0.000 -3.099) 4.035 5.277 ( 4.362 0.000 0.128) 4.364 5.340 ( -4.218 0.000 -6.019) 7.350 5.364 ( -6.538 0.000 4.793) 8.107 5.407 ( 1.633 0.000 1.080) 1.958 5.549 ( 4.830 0.000 -0.613) 4.869 5.564 ( -0.308 0.000 -1.355) 1.390 5.885 ( -0.032 0.000 2.692) 2.692 5.941 ( 1.848 0.000 -3.351) 3.826 6.184 ( 4.822 0.000 1.747) 5.129 6.208 ( -4.216 0.000 0.083) 4.217 6.446 ( -0.543 0.000 3.046) 3.095 6.469 ( 2.382 0.000 -1.621) 2.881 6.609 ( -4.338 0.000 3.036) 5.295 6.715 ( 2.209 0.000 -5.908) 6.308 7.031 ( 2.552 0.000 0.958) 2.726 7.100 ( -5.021 0.000 -6.256) 8.021 7.274 ( -5.324 0.000 1.803) 5.621 7.335 ( 7.366 0.000 -4.477) 8.620 7.546 ( -3.529 0.000 3.534) 4.994 7.595 ( 4.729 0.000 -1.405) 4.933 7.687 ( -11.204 0.000 0.722) 11.227 7.691 ( 7.410 0.000 0.017) 7.410 8.129 ( -0.523 0.000 5.074) 5.100 8.179 ( -1.728 0.000 8.926) 9.092 8.181 ( 4.280 0.000 0.440) 4.303 8.293 ( -1.540 0.000 -0.456) 1.606 8.516 ( 2.274 0.000 -0.697) 2.378 8.517 ( -0.171 0.000 0.532) 0.559 8.582 ( -16.155 0.000 3.576) 16.547 8.600 ( 6.023 0.000 -5.198) 7.956 8.838 ( -1.839 0.000 5.314) 5.623 8.854 ( -4.391 0.000 -0.412) 4.411 8.914 ( 5.628 0.000 -2.409) 6.122 8.938 ( -0.779 0.000 -4.371) 4.440 9.195 ( -10.112 0.000 4.589) 11.105 9.284 ( -0.273 0.000 -4.350) 4.359 9.480 ( 15.627 0.000 1.195) 15.672 9.531 ( -5.974 0.000 -3.914) 7.142 9.872 ( 9.009 0.000 2.620) 9.382 9.900 ( 0.240 0.000 -1.125) 1.150 9.966 ( -0.716 0.000 1.397) 1.570 9.989 ( 3.515 0.000 -0.071) 3.515 10.175 ( -7.509 0.000 0.559) 7.529 10.195 ( 1.302 0.000 -1.724) 2.161 10.303 ( 8.079 0.000 0.792) 8.118 10.332 ( -9.251 0.000 -1.886) 9.441 10.556 ( -1.651 0.000 9.329) 9.475 10.648 ( 2.815 0.000 3.974) 4.870 10.744 ( 7.040 0.000 7.818) 10.521 10.822 ( -3.914 0.000 1.159) 4.082 10.937 ( 0.765 0.000 0.927) 1.201 10.978 ( -10.329 0.000 -3.821) 11.013 11.034 ( -0.730 0.000 -4.403) 4.463 11.055 ( -2.962 0.000 -0.883) 3.091 11.125 ( 1.064 0.000 -0.742) 1.297 11.194 ( 8.357 0.000 -0.628) 8.381 11.198 ( -7.265 0.000 -1.081) 7.345 11.291 ( 3.999 0.000 -9.524) 10.329 11.514 ( 2.664 0.000 2.486) 3.643 11.576 ( -5.538 0.000 -1.301) 5.689 11.703 ( -11.770 0.000 3.372) 12.244 11.765 ( 8.601 0.000 -4.237) 9.589 11.905 ( -3.155 0.000 8.377) 8.951 11.985 ( 5.616 0.000 2.432) 6.120 12.052 ( -4.832 0.000 -4.080) 6.324 12.106 ( 0.551 0.000 -10.226) 10.241 12.210 ( -2.039 0.000 1.524) 2.546 12.225 ( 4.248 0.000 0.426) 4.269 12.276 ( 3.879 0.000 2.235) 4.477 12.322 ( -0.854 0.000 -2.767) 2.896 12.508 ( 16.483 0.000 5.468) 17.366 12.511 ( -1.700 0.000 0.451) 1.758 12.552 ( 7.198 0.000 -4.332) 8.401 12.645 ( -12.760 0.000 -8.014) 15.067 12.758 ( -2.561 0.000 0.452) 2.600 12.795 ( -0.588 0.000 -3.420) 3.470 13.205 ( 2.568 0.000 2.564) 3.628 13.220 ( -3.601 0.000 -1.174) 3.787 13.359 ( -4.219 0.000 2.127) 4.725 13.395 ( 0.449 0.000 -1.763) 1.819 13.605 ( 2.774 0.000 8.638) 9.072 13.700 ( -2.366 0.000 2.272) 3.281 13.757 ( 4.265 0.000 3.337) 5.416 13.901 ( -1.152 0.000 -13.612) 13.661 14.176 ( 6.284 0.000 10.213) 11.991 14.389 ( -2.905 0.000 -8.815) 9.282 14.589 ( 3.734 0.000 2.491) 4.489 14.705 ( -3.961 0.000 -7.321) 8.324 14.793 ( -3.081 0.000 5.168) 6.017 14.857 ( 5.771 0.000 -0.849) 5.833 15.000 ( -4.474 0.000 3.115) 5.452 15.069 ( 3.023 0.000 -3.436) 4.577 15.447 ( 0.139 0.000 6.917) 6.919 15.569 ( 2.045 0.000 0.319) 2.070 15.634 ( -0.205 0.000 -4.459) 4.464 15.678 ( -3.099 0.000 -2.845) 4.207 16.060 ( -1.294 0.000 8.356) 8.455 16.184 ( 1.490 0.000 -3.928) 4.201 16.668 ( 3.245 0.000 2.740) 4.248 16.737 ( -3.431 0.000 -4.221) 5.440 17.207 ( 1.099 0.000 8.063) 8.138 17.359 ( -0.361 0.000 -7.251) 7.260 17.405 ( 0.450 0.000 3.802) 3.828 17.466 ( -0.500 0.000 -2.455) 2.505 17.643 ( 2.097 0.000 0.243) 2.111 17.648 ( -2.173 0.000 -0.169) 2.179 21.091 ( -9.152 0.000 0.497) 9.166 21.108 ( 3.335 0.000 -1.181) 3.538 21.278 ( -2.530 0.000 -0.146) 2.534 21.279 ( 3.027 0.000 -0.393) 3.052 22.141 ( -2.361 0.000 4.292) 4.898 22.218 ( 1.838 0.000 -3.463) 3.921 22.361 ( -1.582 0.000 10.586) 10.704 22.558 ( 0.395 0.000 -9.660) 9.668 22.887 ( -0.760 0.000 3.710) 3.787 22.973 ( 0.901 0.000 -4.781) 4.866 23.177 ( -2.206 0.000 0.467) 2.255 23.188 ( 2.547 0.000 -0.660) 2.631 23.552 ( -3.061 0.000 2.169) 3.751 23.567 ( 3.220 0.000 0.415) 3.246 24.364 ( 2.482 0.000 5.781) 6.291 24.475 ( -1.224 0.000 -5.870) 5.996 24.528 ( 1.752 0.000 9.729) 9.886 24.656 ( 0.344 0.000 -1.429) 1.470 24.833 ( 0.291 0.000 -2.588) 2.605 24.886 ( -2.413 0.000 -9.172) 9.484 25.525 ( 4.241 0.000 5.955) 7.311 25.631 ( -1.946 0.000 -4.776) 5.158 26.470 ( 9.690 0.000 2.950) 10.129 26.517 ( -4.388 0.000 -1.888) 4.777 27.101 ( -0.699 0.000 0.310) 0.765 27.108 ( 0.068 0.000 -0.355) 0.361 27.118 ( -2.869 0.000 0.860) 2.995 27.135 ( 1.128 0.000 -0.863) 1.421 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 7.871 0.000 11.241) 13.723 1.399 ( 4.451 0.000 0.066) 4.452 1.503 ( 13.174 0.000 -0.468) 13.182 1.577 ( 8.809 0.000 -17.009) 19.155 1.798 ( 6.446 0.000 0.898) 6.508 1.970 ( 8.799 0.000 0.772) 8.833 2.186 ( 0.619 0.000 -2.501) 2.576 2.243 ( 1.907 0.000 1.735) 2.578 2.287 ( 4.011 0.000 4.430) 5.976 2.301 ( 0.631 0.000 -1.886) 1.988 2.352 ( 1.039 0.000 7.280) 7.354 2.409 ( 0.219 0.000 -5.941) 5.945 2.597 ( 0.422 0.000 4.078) 4.100 2.669 ( 6.112 0.000 5.020) 7.909 2.735 ( 5.433 0.000 -0.118) 5.434 2.799 ( 6.714 0.000 1.256) 6.830 2.856 ( 4.333 0.000 13.263) 13.953 2.909 ( -1.676 0.000 1.029) 1.967 2.987 ( -2.691 0.000 0.753) 2.794 2.994 ( 5.483 0.000 -15.768) 16.694 3.104 ( 3.635 0.000 1.597) 3.971 3.146 ( 4.041 0.000 -3.921) 5.631 3.160 ( -2.944 0.000 -1.729) 3.414 3.298 ( 3.587 0.000 -3.853) 5.265 3.306 ( -5.090 0.000 5.038) 7.162 3.331 ( -4.990 0.000 -3.385) 6.030 3.381 ( -4.162 0.000 -9.543) 10.411 3.493 ( 4.124 0.000 4.220) 5.900 3.600 ( -0.895 0.000 3.548) 3.660 3.687 ( -4.080 0.000 0.501) 4.111 3.711 ( 2.600 0.000 -3.122) 4.063 3.735 ( -1.282 0.000 5.505) 5.652 3.773 ( 1.628 0.000 -1.290) 2.077 3.915 ( 5.655 0.000 4.600) 7.290 4.210 ( -0.985 0.000 4.491) 4.598 4.216 ( -3.756 0.000 -4.285) 5.698 4.376 ( -1.926 0.000 3.804) 4.263 4.427 ( -1.812 0.000 -2.608) 3.175 4.647 ( -2.694 0.000 -3.230) 4.207 4.688 ( -1.876 0.000 0.302) 1.901 4.731 ( -2.290 0.000 -0.916) 2.466 4.791 ( -4.354 0.000 1.993) 4.788 4.900 ( -2.911 0.000 -0.847) 3.032 4.951 ( -0.164 0.000 -3.279) 3.283 5.033 ( 2.254 0.000 3.821) 4.437 5.062 ( -2.578 0.000 -4.425) 5.121 5.235 ( -1.479 0.000 -6.724) 6.885 5.286 ( -4.364 0.000 5.315) 6.877 5.392 ( 5.720 0.000 3.057) 6.486 5.497 ( 5.164 0.000 2.900) 5.922 5.519 ( -2.052 0.000 -4.301) 4.766 5.584 ( -0.583 0.000 -2.424) 2.493 5.911 ( 1.568 0.000 -2.860) 3.262 5.959 ( 2.949 0.000 -2.088) 3.614 6.137 ( -0.768 0.000 1.440) 1.632 6.297 ( 4.506 0.000 -1.500) 4.749 6.408 ( -3.567 0.000 -1.357) 3.817 6.482 ( -0.553 0.000 -2.480) 2.540 6.544 ( -5.654 0.000 6.295) 8.461 6.715 ( 2.119 0.000 -2.882) 3.577 6.955 ( -4.915 0.000 -2.179) 5.377 7.012 ( -3.241 0.000 2.682) 4.207 7.023 ( -16.316 0.000 5.527) 17.226 7.340 ( -4.528 0.000 -3.162) 5.522 7.450 ( -12.762 0.000 1.851) 12.895 7.461 ( -6.088 0.000 1.033) 6.175 7.711 ( 9.802 0.000 -1.921) 9.989 7.859 ( 6.132 0.000 2.071) 6.472 7.947 ( -18.342 0.000 -0.130) 18.343 8.168 ( -0.313 0.000 -5.031) 5.041 8.221 ( -7.854 0.000 5.405) 9.534 8.328 ( 1.310 0.000 3.139) 3.402 8.374 ( 6.999 0.000 4.704) 8.433 8.425 ( -4.066 0.000 -4.930) 6.390 8.646 ( 4.338 0.000 -0.584) 4.377 8.765 ( 6.344 0.000 8.017) 10.223 8.829 ( -1.155 0.000 3.757) 3.931 8.867 ( 1.898 0.000 6.779) 7.040 8.919 ( 3.611 0.000 -1.852) 4.058 9.035 ( 1.236 0.000 6.866) 6.977 9.063 ( -4.597 0.000 2.694) 5.328 9.182 ( -2.578 0.000 -1.180) 2.835 9.430 ( -1.770 0.000 -2.911) 3.406 9.765 ( 1.379 0.000 0.907) 1.650 9.862 ( -1.536 0.000 -7.052) 7.217 9.894 ( -3.267 0.000 -3.501) 4.788 10.017 ( -0.208 0.000 -3.109) 3.116 10.031 ( 4.256 0.000 -7.601) 8.711 10.060 ( 0.916 0.000 3.454) 3.573 10.220 ( 1.644 0.000 3.246) 3.639 10.352 ( 7.558 0.000 -0.776) 7.598 10.453 ( 2.720 0.000 2.570) 3.742 10.548 ( -5.178 0.000 3.593) 6.303 10.620 ( -10.381 0.000 3.550) 10.971 10.702 ( -2.333 0.000 -5.689) 6.149 10.781 ( -1.984 0.000 1.354) 2.402 10.793 ( -11.209 0.000 -7.489) 13.481 10.811 ( 2.979 0.000 6.706) 7.338 10.965 ( -5.093 0.000 -1.541) 5.321 11.084 ( 6.937 0.000 5.999) 9.171 11.131 ( 4.031 0.000 -1.760) 4.398 11.241 ( -3.171 0.000 -4.897) 5.834 11.266 ( 2.493 0.000 0.309) 2.512 11.347 ( 4.431 0.000 -5.382) 6.972 11.504 ( 0.511 0.000 5.594) 5.618 11.593 ( 3.654 0.000 4.255) 5.609 11.761 ( 11.182 0.000 4.698) 12.129 11.857 ( -8.135 0.000 9.550) 12.545 11.918 ( -4.440 0.000 -2.799) 5.249 11.933 ( 6.010 0.000 1.794) 6.272 12.112 ( 5.594 0.000 -5.908) 8.137 12.149 ( 3.339 0.000 -1.573) 3.690 12.220 ( 4.242 0.000 -2.002) 4.690 12.294 ( 4.555 0.000 -0.144) 4.557 12.297 ( -6.800 0.000 -8.484) 10.873 12.433 ( 10.171 0.000 2.366) 10.442 12.439 ( 7.137 0.000 -3.455) 7.929 12.656 ( 10.286 0.000 -2.174) 10.513 12.707 ( 8.863 0.000 -5.720) 10.549 12.881 ( 14.690 0.000 4.285) 15.302 12.888 ( 13.323 0.000 -0.326) 13.327 12.912 ( 14.958 0.000 0.563) 14.969 13.162 ( -0.271 0.000 -3.237) 3.249 13.213 ( -2.679 0.000 2.151) 3.436 13.293 ( -4.366 0.000 5.303) 6.869 13.420 ( 1.780 0.000 1.025) 2.054 13.677 ( 0.026 0.000 -3.428) 3.429 13.744 ( 4.465 0.000 5.718) 7.255 13.865 ( 6.120 0.000 -14.053) 15.328 13.928 ( 10.721 0.000 5.361) 11.987 14.241 ( -3.563 0.000 -12.496) 12.994 14.350 ( 4.455 0.000 7.185) 8.455 14.568 ( -3.364 0.000 -7.411) 8.139 14.641 ( -1.882 0.000 2.310) 2.980 14.706 ( -5.343 0.000 5.031) 7.339 14.862 ( 0.222 0.000 -2.124) 2.135 15.117 ( 10.487 0.000 2.249) 10.726 15.157 ( 4.543 0.000 -3.698) 5.857 15.479 ( -2.846 0.000 6.331) 6.942 15.509 ( -1.461 0.000 -5.696) 5.880 15.604 ( -1.403 0.000 -0.784) 1.607 15.703 ( 3.127 0.000 2.691) 4.125 15.990 ( -10.134 0.000 7.315) 12.498 16.092 ( -6.878 0.000 -6.581) 9.520 16.606 ( -6.921 0.000 -2.681) 7.422 16.737 ( 1.606 0.000 3.003) 3.405 17.223 ( -4.001 0.000 8.263) 9.181 17.238 ( -7.017 0.000 -8.144) 10.750 17.340 ( -8.515 0.000 3.575) 9.235 17.361 ( -6.593 0.000 -3.639) 7.531 17.547 ( -6.918 0.000 -1.067) 7.000 17.618 ( -4.573 0.000 1.843) 4.930 21.052 ( 2.494 0.000 2.668) 3.652 21.193 ( 1.987 0.000 1.430) 2.448 21.298 ( 6.049 0.000 3.152) 6.821 21.371 ( 5.861 0.000 -0.620) 5.894 22.136 ( -1.082 0.000 4.441) 4.571 22.250 ( 3.430 0.000 -2.692) 4.360 22.408 ( -0.809 0.000 11.304) 11.333 22.508 ( 0.294 0.000 -8.400) 8.405 22.908 ( 0.216 0.000 3.786) 3.792 22.972 ( 2.165 0.000 -4.607) 5.091 23.132 ( -2.199 0.000 0.402) 2.236 23.230 ( 1.552 0.000 -0.890) 1.789 23.548 ( 2.046 0.000 1.327) 2.439 23.680 ( 7.452 0.000 -1.026) 7.522 24.395 ( -1.782 0.000 -6.035) 6.292 24.433 ( 0.209 0.000 2.692) 2.700 24.549 ( -5.378 0.000 2.889) 6.105 24.596 ( -2.717 0.000 -6.215) 6.783 24.764 ( -5.569 0.000 -3.824) 6.755 24.809 ( -2.001 0.000 4.524) 4.947 25.496 ( -4.716 0.000 -7.012) 8.450 25.503 ( -8.362 0.000 6.322) 10.483 26.282 ( -14.006 0.000 -8.997) 16.647 26.393 ( -14.174 0.000 6.911) 15.769 27.128 ( 2.699 0.000 -0.202) 2.706 27.163 ( 4.649 0.000 -0.169) 4.652 27.206 ( 8.609 0.000 -2.110) 8.864 27.237 ( 6.134 0.000 2.100) 6.483 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 13.485 0.000 -8.665) 16.028 1.492 ( 17.616 0.000 4.020) 18.069 1.696 ( 10.702 0.000 -11.126) 15.438 1.859 ( 7.093 0.000 2.032) 7.378 1.969 ( 10.656 0.000 12.559) 16.470 2.044 ( 3.076 0.000 -3.814) 4.900 2.232 ( 6.331 0.000 -2.008) 6.642 2.242 ( -0.385 0.000 -0.669) 0.772 2.315 ( 0.077 0.000 -0.326) 0.335 2.370 ( -0.575 0.000 2.376) 2.445 2.395 ( 2.720 0.000 -2.981) 4.036 2.456 ( 4.382 0.000 6.833) 8.117 2.613 ( -1.897 0.000 2.171) 2.883 2.810 ( 1.557 0.000 2.122) 2.632 2.823 ( 1.188 0.000 1.676) 2.054 2.891 ( -4.750 0.000 1.417) 4.956 2.927 ( 1.041 0.000 1.527) 1.848 2.938 ( 3.835 0.000 -3.340) 5.085 3.026 ( -2.403 0.000 -6.011) 6.473 3.054 ( -0.883 0.000 0.911) 1.268 3.094 ( 4.606 0.000 -12.101) 12.948 3.100 ( 5.669 0.000 8.242) 10.004 3.238 ( 0.267 0.000 1.593) 1.615 3.282 ( 3.725 0.000 -1.421) 3.987 3.314 ( 9.683 0.000 7.145) 12.034 3.323 ( 3.051 0.000 -4.131) 5.136 3.415 ( 11.630 0.000 -11.836) 16.593 3.506 ( -2.099 0.000 0.025) 2.099 3.623 ( 0.473 0.000 4.469) 4.494 3.688 ( 0.685 0.000 7.414) 7.446 3.744 ( 1.001 0.000 0.893) 1.341 3.807 ( 4.468 0.000 -3.533) 5.696 3.848 ( 7.711 0.000 10.444) 12.982 4.020 ( -1.000 0.000 4.203) 4.321 4.092 ( -1.989 0.000 -5.812) 6.143 4.171 ( -5.073 0.000 4.021) 6.474 4.344 ( -4.566 0.000 2.841) 5.378 4.349 ( -5.745 0.000 -4.230) 7.135 4.523 ( -6.491 0.000 -4.017) 7.633 4.634 ( -4.185 0.000 3.394) 5.388 4.635 ( -12.013 0.000 0.982) 12.053 4.662 ( -3.815 0.000 -5.830) 6.967 4.793 ( -4.799 0.000 -1.790) 5.122 4.898 ( -4.105 0.000 -3.149) 5.174 4.961 ( -3.925 0.000 2.846) 4.848 5.047 ( -0.191 0.000 2.753) 2.760 5.174 ( -3.698 0.000 0.983) 3.826 5.362 ( 6.254 0.000 1.970) 6.556 5.461 ( 1.995 0.000 -4.749) 5.151 5.483 ( -3.766 0.000 0.645) 3.821 5.520 ( 1.694 0.000 0.137) 1.699 5.624 ( 4.118 0.000 -0.427) 4.140 5.905 ( 0.957 0.000 -2.614) 2.784 6.022 ( 1.744 0.000 2.452) 3.009 6.200 ( 4.836 0.000 -2.416) 5.405 6.241 ( -1.466 0.000 -8.424) 8.550 6.414 ( -3.005 0.000 -4.392) 5.322 6.433 ( 2.665 0.000 3.259) 4.210 6.455 ( -6.249 0.000 5.769) 8.504 6.725 ( -7.602 0.000 5.189) 9.204 6.833 ( 0.945 0.000 3.353) 3.483 6.920 ( 0.458 0.000 0.451) 0.642 7.012 ( 1.907 0.000 -0.106) 1.910 7.132 ( -15.127 0.000 1.617) 15.213 7.303 ( -0.307 0.000 -1.640) 1.668 7.340 ( -4.821 0.000 -1.434) 5.030 7.580 ( -12.209 0.000 -0.612) 12.224 7.892 ( -2.175 0.000 -2.197) 3.092 7.943 ( 11.252 0.000 0.092) 11.253 8.131 ( -3.658 0.000 -0.981) 3.787 8.148 ( -1.926 0.000 -1.061) 2.199 8.300 ( -2.137 0.000 -3.489) 4.092 8.368 ( -1.407 0.000 2.616) 2.970 8.409 ( -2.814 0.000 -5.300) 6.001 8.764 ( 5.436 0.000 8.530) 10.115 8.900 ( 2.209 0.000 0.178) 2.216 8.908 ( 2.279 0.000 4.606) 5.139 8.983 ( 6.097 0.000 -4.375) 7.504 8.991 ( 2.572 0.000 10.647) 10.953 9.043 ( -4.138 0.000 4.036) 5.780 9.052 ( 1.192 0.000 2.735) 2.983 9.180 ( 3.274 0.000 3.988) 5.160 9.437 ( 1.218 0.000 5.391) 5.527 9.574 ( -10.687 0.000 -1.662) 10.815 9.788 ( -0.127 0.000 -5.867) 5.868 9.878 ( 0.335 0.000 -4.157) 4.170 9.947 ( -3.088 0.000 -4.591) 5.533 10.026 ( -2.015 0.000 -2.213) 2.993 10.084 ( -1.828 0.000 2.775) 3.323 10.264 ( -1.105 0.000 3.157) 3.345 10.357 ( -8.179 0.000 8.396) 11.721 10.403 ( -1.467 0.000 4.737) 4.959 10.471 ( -8.560 0.000 -8.018) 11.729 10.478 ( 0.239 0.000 -7.685) 7.689 10.661 ( 0.173 0.000 7.061) 7.063 10.721 ( -2.763 0.000 0.207) 2.771 10.780 ( 2.916 0.000 -2.628) 3.926 10.942 ( 2.090 0.000 4.597) 5.050 11.002 ( 11.957 0.000 -6.764) 13.738 11.082 ( -7.081 0.000 -1.494) 7.237 11.092 ( 1.628 0.000 -8.374) 8.531 11.254 ( 1.485 0.000 1.307) 1.978 11.348 ( 7.143 0.000 2.549) 7.584 11.429 ( 11.483 0.000 -11.609) 16.329 11.633 ( 1.598 0.000 12.252) 12.356 11.694 ( -1.626 0.000 4.064) 4.377 11.738 ( -5.257 0.000 8.553) 10.039 11.816 ( 0.418 0.000 -0.541) 0.684 11.934 ( -4.883 0.000 0.231) 4.888 11.991 ( 7.198 0.000 -2.842) 7.739 12.053 ( -6.281 0.000 2.768) 6.864 12.256 ( 8.730 0.000 0.401) 8.739 12.321 ( 9.194 0.000 -5.738) 10.838 12.397 ( 12.168 0.000 -4.672) 13.034 12.442 ( -1.955 0.000 -1.007) 2.199 12.460 ( 7.454 0.000 2.104) 7.746 12.646 ( 7.270 0.000 5.326) 9.012 12.868 ( 10.668 0.000 -1.721) 10.806 12.871 ( 8.913 0.000 3.884) 9.722 13.055 ( 0.439 0.000 -6.439) 6.454 13.130 ( 6.776 0.000 -5.872) 8.966 13.136 ( -6.086 0.000 3.638) 7.091 13.249 ( 11.249 0.000 2.193) 11.461 13.263 ( 13.882 0.000 6.100) 15.163 13.275 ( 0.148 0.000 7.018) 7.019 13.465 ( 2.383 0.000 -0.665) 2.474 13.602 ( -3.558 0.000 -9.030) 9.705 13.801 ( -0.987 0.000 1.631) 1.907 13.959 ( 10.366 0.000 -11.793) 15.701 14.137 ( 2.845 0.000 -2.667) 3.900 14.138 ( 1.838 0.000 -8.774) 8.964 14.446 ( 1.403 0.000 5.206) 5.392 14.571 ( 8.594 0.000 3.784) 9.390 14.627 ( 3.776 0.000 -5.272) 6.485 14.738 ( 3.867 0.000 9.242) 10.019 14.837 ( -3.532 0.000 0.031) 3.532 15.109 ( -8.350 0.000 -5.250) 9.863 15.360 ( 12.616 0.000 -1.449) 12.699 15.406 ( -5.570 0.000 3.943) 6.824 15.506 ( 3.431 0.000 -1.035) 3.584 15.627 ( 1.043 0.000 3.411) 3.567 15.738 ( -1.316 0.000 -2.251) 2.608 15.809 ( -9.638 0.000 7.147) 11.999 15.848 ( -10.577 0.000 -7.926) 13.217 16.454 ( -7.131 0.000 2.499) 7.556 16.762 ( -0.736 0.000 0.538) 0.912 16.992 ( -10.574 0.000 -6.442) 12.382 17.145 ( -10.534 0.000 1.646) 10.662 17.177 ( -6.479 0.000 8.310) 10.537 17.216 ( -4.245 0.000 -5.068) 6.611 17.394 ( -5.788 0.000 -2.365) 6.252 17.503 ( -7.358 0.000 1.891) 7.598 21.158 ( 5.733 0.000 0.667) 5.771 21.224 ( 1.607 0.000 0.327) 1.640 21.484 ( 5.315 0.000 9.499) 10.884 21.495 ( 6.869 0.000 -1.518) 7.035 22.152 ( -0.264 0.000 4.660) 4.668 22.325 ( 4.391 0.000 -0.520) 4.422 22.466 ( 0.870 0.000 -5.821) 5.886 22.466 ( -1.137 0.000 12.060) 12.113 22.933 ( 0.102 0.000 1.981) 1.984 22.993 ( 2.550 0.000 -4.404) 5.089 23.109 ( -0.822 0.000 2.886) 3.001 23.225 ( -1.179 0.000 -1.559) 1.955 23.665 ( 8.581 0.000 1.554) 8.721 23.800 ( 5.068 0.000 -6.706) 8.406 24.263 ( -12.176 0.000 -10.974) 16.391 24.378 ( 3.372 0.000 -0.454) 3.402 24.477 ( -2.411 0.000 0.739) 2.522 24.512 ( 0.578 0.000 -9.370) 9.388 24.589 ( -10.477 0.000 -1.436) 10.575 24.815 ( -1.924 0.000 8.485) 8.701 25.346 ( -10.387 0.000 7.601) 12.871 25.456 ( 3.925 0.000 -3.549) 5.291 25.902 ( -14.271 0.000 -13.826) 19.871 26.126 ( -16.452 0.000 8.842) 18.678 27.199 ( 3.868 0.000 0.105) 3.869 27.251 ( 3.969 0.000 -0.583) 4.012 27.349 ( 6.606 0.000 -2.562) 7.086 27.358 ( 3.630 0.000 3.189) 4.832 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 13.804 0.000 -0.629) 13.819 1.783 ( 3.227 0.000 -0.224) 3.235 1.875 ( -1.711 0.000 -0.709) 1.852 1.875 ( 13.745 0.000 -2.150) 13.912 2.078 ( 0.706 0.000 0.385) 0.804 2.196 ( -5.535 0.000 0.135) 5.536 2.261 ( 4.367 0.000 -5.909) 7.348 2.267 ( 8.796 0.000 1.955) 9.010 2.360 ( -0.521 0.000 5.863) 5.886 2.396 ( -5.540 0.000 1.891) 5.853 2.489 ( 3.027 0.000 4.451) 5.383 2.553 ( 0.992 0.000 -0.548) 1.133 2.589 ( 9.684 0.000 3.238) 10.211 2.741 ( -4.699 0.000 1.019) 4.809 2.742 ( -6.877 0.000 1.476) 7.034 2.839 ( -1.385 0.000 4.073) 4.303 2.917 ( -0.697 0.000 -1.695) 1.833 2.976 ( -1.647 0.000 -3.504) 3.871 2.984 ( 1.228 0.000 2.972) 3.216 3.059 ( -5.142 0.000 2.911) 5.909 3.084 ( 3.535 0.000 0.480) 3.568 3.196 ( 7.230 0.000 -6.870) 9.973 3.275 ( -4.493 0.000 -3.631) 5.777 3.326 ( -0.809 0.000 -6.730) 6.778 3.409 ( 4.302 0.000 1.857) 4.686 3.438 ( 5.336 0.000 -0.943) 5.419 3.599 ( 1.687 0.000 9.593) 9.740 3.608 ( 11.661 0.000 -9.689) 15.161 3.714 ( 1.861 0.000 3.043) 3.567 3.784 ( 5.831 0.000 -0.617) 5.864 3.785 ( 3.764 0.000 12.509) 13.063 3.895 ( 1.202 0.000 -2.862) 3.104 3.969 ( 6.992 0.000 -3.517) 7.827 4.030 ( -0.317 0.000 4.421) 4.432 4.096 ( -9.627 0.000 3.137) 10.125 4.105 ( 0.911 0.000 -1.630) 1.867 4.168 ( -0.464 0.000 2.431) 2.475 4.235 ( -15.732 0.000 0.817) 15.754 4.242 ( -4.362 0.000 -1.075) 4.493 4.472 ( -8.475 0.000 -8.971) 12.341 4.527 ( 3.590 0.000 -3.253) 4.845 4.587 ( -4.346 0.000 4.770) 6.453 4.706 ( -9.622 0.000 -3.784) 10.339 4.718 ( -0.803 0.000 -4.278) 4.352 5.018 ( 4.016 0.000 6.756) 7.859 5.131 ( 1.949 0.000 1.217) 2.297 5.164 ( 3.974 0.000 7.438) 8.433 5.378 ( 0.077 0.000 -0.443) 0.450 5.394 ( -3.949 0.000 0.567) 3.989 5.481 ( -4.441 0.000 -4.138) 6.070 5.579 ( 5.072 0.000 -1.252) 5.224 5.654 ( -1.049 0.000 -1.296) 1.668 5.967 ( 6.538 0.000 -0.762) 6.582 6.041 ( -2.239 0.000 3.808) 4.418 6.232 ( 1.739 0.000 -0.990) 2.001 6.252 ( 2.550 0.000 -3.224) 4.110 6.329 ( -6.091 0.000 0.225) 6.095 6.344 ( -0.268 0.000 -5.489) 5.496 6.527 ( 2.517 0.000 3.293) 4.145 6.589 ( -6.710 0.000 4.434) 8.042 6.889 ( -5.138 0.000 0.385) 5.152 6.919 ( 0.088 0.000 0.980) 0.984 6.942 ( 2.667 0.000 1.635) 3.128 7.020 ( -1.720 0.000 -0.667) 1.845 7.282 ( 1.134 0.000 -3.668) 3.839 7.313 ( -0.158 0.000 -4.473) 4.475 7.531 ( 5.665 0.000 4.667) 7.340 7.792 ( -4.888 0.000 -5.103) 7.066 8.031 ( -1.831 0.000 1.588) 2.424 8.066 ( -3.590 0.000 -0.777) 3.673 8.186 ( 9.514 0.000 -2.105) 9.744 8.262 ( -1.474 0.000 0.246) 1.494 8.318 ( -1.581 0.000 -5.074) 5.315 8.320 ( -5.441 0.000 2.194) 5.866 8.812 ( -8.450 0.000 -0.282) 8.455 8.823 ( 0.210 0.000 -5.023) 5.027 9.014 ( 7.516 0.000 2.036) 7.787 9.023 ( -6.028 0.000 10.391) 12.013 9.063 ( 1.334 0.000 7.290) 7.411 9.064 ( 0.807 0.000 1.944) 2.105 9.121 ( 6.269 0.000 -5.490) 8.333 9.275 ( 2.283 0.000 -0.926) 2.463 9.491 ( 3.191 0.000 2.472) 4.037 9.505 ( -0.874 0.000 9.733) 9.772 9.799 ( 2.288 0.000 -0.979) 2.489 9.850 ( -1.275 0.000 -0.325) 1.316 9.871 ( -3.082 0.000 1.897) 3.619 9.920 ( -8.610 0.000 5.736) 10.346 10.066 ( -1.291 0.000 2.445) 2.765 10.213 ( -4.984 0.000 8.026) 9.448 10.235 ( -5.505 0.000 -5.215) 7.583 10.390 ( 3.315 0.000 -1.717) 3.733 10.395 ( 2.694 0.000 -7.818) 8.269 10.452 ( 2.463 0.000 -8.128) 8.493 10.706 ( 0.468 0.000 1.826) 1.885 10.717 ( 2.024 0.000 4.254) 4.711 10.817 ( 0.503 0.000 3.762) 3.796 10.879 ( -5.260 0.000 -3.099) 6.105 10.946 ( -1.460 0.000 -5.482) 5.673 11.069 ( -1.861 0.000 -9.090) 9.279 11.171 ( 5.777 0.000 -5.521) 7.991 11.274 ( -5.960 0.000 -0.929) 6.032 11.433 ( 3.888 0.000 12.527) 13.117 11.674 ( 16.292 0.000 -7.176) 17.802 11.693 ( 1.008 0.000 7.578) 7.645 11.697 ( 1.070 0.000 4.508) 4.633 11.794 ( -0.501 0.000 -6.750) 6.768 11.823 ( -5.598 0.000 4.245) 7.025 11.862 ( 3.253 0.000 4.608) 5.640 11.988 ( -0.213 0.000 6.812) 6.815 12.053 ( -0.399 0.000 -4.988) 5.004 12.262 ( -4.444 0.000 -5.971) 7.443 12.430 ( 0.541 0.000 6.232) 6.256 12.469 ( 7.436 0.000 -3.973) 8.431 12.599 ( 9.130 0.000 -2.757) 9.537 12.655 ( 6.410 0.000 -0.575) 6.436 12.777 ( 2.060 0.000 3.613) 4.159 12.935 ( -6.447 0.000 -0.394) 6.459 13.016 ( -2.375 0.000 8.067) 8.409 13.045 ( 1.297 0.000 0.431) 1.367 13.079 ( 3.266 0.000 -0.576) 3.317 13.115 ( 0.931 0.000 2.249) 2.434 13.319 ( -4.668 0.000 -6.377) 7.903 13.397 ( 5.665 0.000 2.549) 6.212 13.403 ( -0.188 0.000 -1.129) 1.144 13.534 ( 5.499 0.000 -7.681) 9.447 13.620 ( 10.227 0.000 0.002) 10.227 13.747 ( -5.546 0.000 2.416) 6.049 14.041 ( 4.359 0.000 -7.972) 9.086 14.081 ( -3.066 0.000 -4.951) 5.823 14.283 ( 14.935 0.000 -3.824) 15.416 14.474 ( 0.085 0.000 3.101) 3.102 14.666 ( -1.308 0.000 -6.157) 6.294 14.731 ( -20.970 0.000 1.245) 21.007 14.816 ( 5.245 0.000 4.751) 7.077 14.818 ( 7.867 0.000 -1.195) 7.957 14.968 ( 9.735 0.000 8.331) 12.813 15.344 ( -1.692 0.000 3.868) 4.222 15.477 ( -13.684 0.000 -9.287) 16.538 15.542 ( 0.388 0.000 -5.148) 5.162 15.588 ( 7.962 0.000 -3.519) 8.705 15.602 ( -5.694 0.000 4.653) 7.353 15.771 ( -1.099 0.000 6.450) 6.543 15.774 ( 3.619 0.000 -2.361) 4.321 16.388 ( -2.480 0.000 9.314) 9.639 16.678 ( -4.782 0.000 -7.319) 8.742 16.854 ( 0.572 0.000 -0.395) 0.695 16.955 ( -7.776 0.000 0.595) 7.798 17.102 ( -5.220 0.000 5.258) 7.409 17.140 ( -0.037 0.000 -3.597) 3.597 17.328 ( 0.899 0.000 -2.017) 2.208 17.370 ( -6.375 0.000 1.542) 6.559 21.258 ( 3.621 0.000 -0.921) 3.736 21.259 ( 1.168 0.000 0.398) 1.234 21.579 ( -1.459 0.000 7.477) 7.618 21.619 ( 6.691 0.000 -2.975) 7.322 22.186 ( 0.563 0.000 5.154) 5.184 22.335 ( -1.499 0.000 -3.824) 4.107 22.513 ( -2.014 0.000 12.169) 12.334 22.542 ( 6.605 0.000 1.524) 6.779 22.932 ( -0.833 0.000 0.868) 1.203 23.008 ( 1.425 0.000 -4.799) 5.006 23.137 ( 0.787 0.000 4.532) 4.600 23.183 ( -1.322 0.000 -0.780) 1.535 23.775 ( -0.868 0.000 -9.859) 9.897 23.836 ( 1.215 0.000 -4.410) 4.574 24.027 ( 3.367 0.000 -6.330) 7.170 24.310 ( -13.333 0.000 -3.309) 13.737 24.422 ( -2.922 0.000 0.709) 3.006 24.441 ( -0.160 0.000 -1.009) 1.021 24.633 ( 15.333 0.000 -2.237) 15.495 24.808 ( -5.440 0.000 6.955) 8.830 25.211 ( -7.463 0.000 7.956) 10.909 25.432 ( -5.425 0.000 -9.619) 11.043 25.733 ( 8.294 0.000 -5.857) 10.153 25.857 ( -15.215 0.000 7.638) 17.025 27.265 ( 2.030 0.000 0.573) 2.110 27.300 ( 1.153 0.000 -1.118) 1.606 27.416 ( 0.254 0.000 2.500) 2.513 27.437 ( 3.480 0.000 -1.896) 3.963 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -14.696 0.000 4.040) 15.242 1.768 ( -11.637 0.000 1.063) 11.686 1.876 ( -6.036 0.000 -2.513) 6.538 1.910 ( -0.745 0.000 -3.774) 3.847 2.047 ( -7.860 0.000 4.739) 9.178 2.164 ( -3.492 0.000 2.049) 4.049 2.176 ( 3.646 0.000 2.597) 4.476 2.250 ( -4.393 0.000 2.927) 5.279 2.453 ( 2.855 0.000 -3.595) 4.591 2.499 ( 2.670 0.000 -6.179) 6.731 2.524 ( 4.251 0.000 2.731) 5.053 2.528 ( 1.311 0.000 -0.218) 1.329 2.699 ( 2.691 0.000 3.714) 4.586 2.714 ( -5.515 0.000 -7.897) 9.632 2.784 ( -0.294 0.000 -3.714) 3.725 2.854 ( -2.143 0.000 4.646) 5.116 2.897 ( 8.016 0.000 4.138) 9.021 2.900 ( 0.175 0.000 -0.615) 0.639 3.010 ( 2.184 0.000 2.008) 2.966 3.047 ( -4.938 0.000 -2.842) 5.698 3.058 ( -8.437 0.000 8.053) 11.663 3.209 ( 2.893 0.000 3.246) 4.348 3.223 ( -2.336 0.000 -7.160) 7.532 3.259 ( 0.321 0.000 -2.714) 2.733 3.404 ( -4.573 0.000 2.076) 5.022 3.449 ( -5.607 0.000 -2.214) 6.029 3.470 ( -16.696 0.000 3.611) 17.082 3.704 ( 1.478 0.000 -0.468) 1.551 3.723 ( 1.059 0.000 9.410) 9.469 3.800 ( 1.497 0.000 -5.610) 5.806 3.806 ( -8.223 0.000 4.068) 9.175 3.879 ( -6.462 0.000 4.962) 8.147 4.005 ( -3.117 0.000 -7.804) 8.404 4.087 ( 5.724 0.000 -1.615) 5.948 4.092 ( 0.815 0.000 -0.092) 0.820 4.165 ( 10.930 0.000 5.048) 12.039 4.167 ( 9.164 0.000 -6.771) 11.394 4.251 ( -1.198 0.000 -1.334) 1.793 4.279 ( 7.532 0.000 -6.311) 9.826 4.358 ( 9.966 0.000 3.071) 10.429 4.421 ( -9.698 0.000 6.242) 11.533 4.632 ( 3.854 0.000 2.017) 4.350 4.653 ( 3.570 0.000 0.244) 3.578 4.727 ( 5.880 0.000 -5.655) 8.158 5.125 ( -0.160 0.000 -4.283) 4.286 5.148 ( 4.952 0.000 1.012) 5.054 5.308 ( -4.852 0.000 -4.438) 6.576 5.346 ( 5.699 0.000 7.456) 9.385 5.374 ( -1.623 0.000 -1.320) 2.091 5.416 ( 3.759 0.000 0.306) 3.771 5.552 ( -8.042 0.000 0.764) 8.078 5.606 ( -1.709 0.000 2.986) 3.440 5.978 ( -4.500 0.000 -0.912) 4.592 6.088 ( 3.857 0.000 -1.994) 4.342 6.210 ( -4.328 0.000 0.333) 4.340 6.246 ( -4.998 0.000 -1.095) 5.117 6.261 ( 1.109 0.000 2.602) 2.829 6.361 ( 7.341 0.000 -2.631) 7.798 6.560 ( 1.654 0.000 -0.717) 1.803 6.648 ( 9.397 0.000 -1.124) 9.464 6.883 ( 0.342 0.000 1.551) 1.588 6.909 ( 0.087 0.000 1.031) 1.035 6.970 ( -0.226 0.000 -0.744) 0.777 7.013 ( 2.658 0.000 -0.035) 2.658 7.258 ( -1.204 0.000 -1.483) 1.910 7.307 ( 2.137 0.000 -3.691) 4.265 7.648 ( -4.344 0.000 -6.780) 8.052 7.701 ( 6.015 0.000 3.699) 7.061 8.033 ( 0.709 0.000 0.506) 0.871 8.052 ( 2.785 0.000 1.501) 3.163 8.170 ( -9.251 0.000 -0.979) 9.303 8.258 ( 0.848 0.000 2.449) 2.592 8.262 ( -1.581 0.000 -0.004) 1.581 8.355 ( 6.380 0.000 -2.109) 6.720 8.709 ( -2.239 0.000 5.458) 5.899 8.825 ( 2.617 0.000 -0.930) 2.777 8.941 ( -6.803 0.000 8.120) 10.594 9.036 ( -3.961 0.000 0.929) 4.068 9.068 ( -0.494 0.000 1.811) 1.877 9.201 ( 4.002 0.000 5.678) 6.947 9.224 ( 8.752 0.000 -9.944) 13.247 9.271 ( 0.412 0.000 -9.112) 9.121 9.494 ( -3.682 0.000 3.258) 4.916 9.574 ( 0.835 0.000 2.365) 2.508 9.761 ( -10.170 0.000 5.888) 11.752 9.816 ( -1.100 0.000 1.778) 2.091 9.833 ( -2.068 0.000 3.851) 4.371 9.867 ( -0.766 0.000 8.663) 8.697 10.114 ( 5.678 0.000 1.934) 5.998 10.131 ( -2.571 0.000 -2.299) 3.449 10.220 ( -0.075 0.000 9.628) 9.629 10.425 ( 5.321 0.000 -10.936) 12.162 10.470 ( 4.851 0.000 -9.335) 10.520 10.492 ( 10.197 0.000 -9.953) 14.249 10.746 ( 0.820 0.000 5.111) 5.176 10.748 ( -5.551 0.000 -0.773) 5.605 10.821 ( 5.182 0.000 4.786) 7.054 10.855 ( 3.402 0.000 -2.717) 4.353 10.925 ( -7.279 0.000 -5.384) 9.054 10.933 ( 1.118 0.000 2.342) 2.595 11.111 ( -6.154 0.000 -0.635) 6.187 11.244 ( 2.781 0.000 2.119) 3.497 11.565 ( -16.897 0.000 3.279) 17.212 11.610 ( 3.178 0.000 10.482) 10.953 11.680 ( -5.267 0.000 -10.515) 11.760 11.754 ( 2.941 0.000 0.553) 2.993 11.755 ( 1.863 0.000 1.032) 2.130 11.908 ( 0.703 0.000 -3.993) 4.054 11.956 ( 4.476 0.000 -5.116) 6.798 11.958 ( -0.043 0.000 4.999) 4.999 12.136 ( 6.983 0.000 5.999) 9.206 12.177 ( 0.696 0.000 -11.437) 11.458 12.385 ( -7.621 0.000 4.042) 8.626 12.524 ( 0.125 0.000 -1.611) 1.615 12.582 ( -11.192 0.000 -0.940) 11.231 12.680 ( -1.488 0.000 -5.190) 5.399 12.789 ( -0.645 0.000 6.781) 6.811 12.863 ( -2.286 0.000 0.608) 2.366 12.998 ( -6.011 0.000 -0.550) 6.036 13.020 ( -0.421 0.000 8.400) 8.410 13.079 ( -4.032 0.000 6.902) 7.993 13.197 ( 0.698 0.000 -8.815) 8.843 13.291 ( 7.218 0.000 6.896) 9.983 13.416 ( 6.602 0.000 -11.932) 13.636 13.466 ( -0.454 0.000 0.642) 0.786 13.486 ( -4.619 0.000 -5.766) 7.388 13.607 ( -8.748 0.000 -0.817) 8.786 13.828 ( 9.289 0.000 -2.047) 9.512 13.950 ( -8.697 0.000 1.216) 8.782 14.041 ( -1.005 0.000 -3.477) 3.619 14.261 ( -20.204 0.000 -0.591) 20.212 14.494 ( 1.066 0.000 -0.793) 1.329 14.524 ( -1.400 0.000 7.131) 7.267 14.698 ( 11.816 0.000 2.283) 12.035 14.842 ( 0.478 0.000 -3.460) 3.493 15.000 ( 8.041 0.000 -9.169) 12.196 15.154 ( -10.977 0.000 -11.132) 15.633 15.284 ( 14.035 0.000 10.480) 17.516 15.423 ( 1.052 0.000 7.108) 7.185 15.445 ( -0.227 0.000 -6.650) 6.654 15.501 ( -5.007 0.000 4.727) 6.885 15.688 ( 2.978 0.000 -4.191) 5.141 15.739 ( -4.315 0.000 2.141) 4.817 15.866 ( 4.861 0.000 -3.438) 5.953 16.478 ( 4.031 0.000 12.939) 13.553 16.560 ( -1.360 0.000 -7.874) 7.990 16.863 ( -0.836 0.000 -1.113) 1.392 16.960 ( 8.930 0.000 0.013) 8.930 17.061 ( -1.375 0.000 4.568) 4.771 17.184 ( 6.199 0.000 -3.161) 6.958 17.288 ( -2.128 0.000 2.038) 2.947 17.385 ( 4.918 0.000 -0.272) 4.926 21.258 ( -1.627 0.000 -0.385) 1.672 21.283 ( 0.044 0.000 -2.221) 2.221 21.544 ( -5.138 0.000 4.487) 6.821 21.714 ( 5.064 0.000 -5.837) 7.728 22.239 ( 0.885 0.000 5.994) 6.059 22.275 ( -1.425 0.000 -4.005) 4.251 22.522 ( -4.182 0.000 6.724) 7.919 22.658 ( 4.128 0.000 -2.080) 4.622 22.922 ( -1.297 0.000 3.202) 3.455 22.980 ( -0.612 0.000 -4.521) 4.562 23.173 ( 0.540 0.000 1.278) 1.387 23.186 ( 1.209 0.000 -0.056) 1.210 23.710 ( -4.270 0.000 -3.150) 5.306 23.720 ( 0.183 0.000 0.737) 0.759 24.011 ( -12.820 0.000 -2.440) 13.050 24.245 ( 9.549 0.000 2.633) 9.905 24.407 ( 2.968 0.000 1.677) 3.409 24.451 ( 2.086 0.000 -2.004) 2.893 24.638 ( -11.942 0.000 -0.824) 11.970 24.919 ( 9.638 0.000 -4.877) 10.802 25.210 ( 4.929 0.000 12.627) 13.555 25.353 ( 4.195 0.000 -6.893) 8.069 25.619 ( -12.407 0.000 6.245) 13.890 25.961 ( 14.602 0.000 -3.346) 14.981 27.279 ( -1.171 0.000 0.961) 1.515 27.280 ( -2.315 0.000 -1.006) 2.524 27.401 ( -3.050 0.000 1.713) 3.498 27.466 ( 0.788 0.000 -2.432) 2.557 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -23.672 0.000 7.727) 24.901 1.390 ( -24.243 0.000 10.207) 26.304 1.687 ( -7.245 0.000 -7.514) 10.438 1.904 ( -1.223 0.000 -3.128) 3.359 1.980 ( -1.784 0.000 3.457) 3.890 2.081 ( -10.085 0.000 1.488) 10.195 2.211 ( 2.744 0.000 2.459) 3.685 2.230 ( -5.393 0.000 1.126) 5.509 2.307 ( -11.612 0.000 5.167) 12.709 2.401 ( -9.945 0.000 -7.586) 12.508 2.442 ( -1.410 0.000 -4.690) 4.898 2.556 ( -2.260 0.000 -3.214) 3.929 2.607 ( -1.167 0.000 3.313) 3.512 2.742 ( -6.186 0.000 8.220) 10.287 2.784 ( -3.186 0.000 6.854) 7.559 2.865 ( -5.397 0.000 -0.007) 5.397 2.870 ( -3.337 0.000 -0.246) 3.346 2.931 ( 3.600 0.000 -1.129) 3.773 2.946 ( 5.174 0.000 -0.226) 5.179 3.046 ( 2.111 0.000 -0.866) 2.282 3.091 ( -0.658 0.000 -2.876) 2.950 3.183 ( -4.842 0.000 -1.525) 5.076 3.249 ( 7.238 0.000 -1.500) 7.392 3.253 ( -4.969 0.000 2.519) 5.571 3.265 ( -7.989 0.000 3.114) 8.575 3.273 ( -1.565 0.000 0.822) 1.767 3.356 ( -0.759 0.000 2.268) 2.392 3.624 ( -4.363 0.000 -6.876) 8.143 3.720 ( -4.618 0.000 4.731) 6.611 3.733 ( -2.150 0.000 3.978) 4.522 3.733 ( -4.905 0.000 -8.273) 9.618 3.864 ( -3.956 0.000 -9.286) 10.094 3.927 ( 4.304 0.000 9.783) 10.688 4.022 ( -5.683 0.000 -7.755) 9.614 4.098 ( 0.206 0.000 -3.056) 3.063 4.235 ( 5.684 0.000 7.301) 9.253 4.264 ( 3.586 0.000 -4.683) 5.898 4.387 ( 7.793 0.000 -1.115) 7.873 4.449 ( 6.869 0.000 3.201) 7.578 4.567 ( 6.839 0.000 2.926) 7.439 4.573 ( 9.402 0.000 4.888) 10.597 4.698 ( 3.548 0.000 -2.263) 4.208 4.787 ( 9.816 0.000 -1.909) 10.000 4.835 ( 4.774 0.000 1.168) 4.915 5.077 ( -0.482 0.000 -6.740) 6.757 5.160 ( 0.019 0.000 -5.813) 5.813 5.238 ( -0.455 0.000 -5.764) 5.781 5.369 ( 0.398 0.000 2.468) 2.500 5.415 ( -3.996 0.000 -0.080) 3.997 5.448 ( 0.536 0.000 6.447) 6.469 5.496 ( 1.847 0.000 0.424) 1.895 5.602 ( -0.213 0.000 1.247) 1.265 5.895 ( -1.630 0.000 -1.732) 2.378 6.061 ( -4.952 0.000 -2.255) 5.441 6.130 ( -3.556 0.000 3.152) 4.752 6.153 ( -2.195 0.000 1.494) 2.655 6.330 ( 2.594 0.000 4.085) 4.838 6.483 ( 1.685 0.000 -3.130) 3.555 6.569 ( 4.178 0.000 -3.612) 5.523 6.795 ( -0.323 0.000 -2.257) 2.280 6.891 ( 5.384 0.000 -1.375) 5.557 6.966 ( 1.745 0.000 -4.798) 5.106 6.972 ( 1.745 0.000 4.504) 4.830 7.154 ( 14.482 0.000 -0.299) 14.485 7.307 ( 1.388 0.000 -3.038) 3.340 7.325 ( 7.320 0.000 0.478) 7.335 7.606 ( 4.310 0.000 -3.506) 5.556 7.825 ( 4.376 0.000 4.132) 6.019 7.969 ( -7.983 0.000 -3.025) 8.537 8.102 ( 4.953 0.000 2.052) 5.361 8.112 ( -1.137 0.000 3.376) 3.563 8.220 ( -1.964 0.000 3.213) 3.765 8.330 ( 3.707 0.000 3.574) 5.149 8.407 ( -0.283 0.000 -1.005) 1.045 8.782 ( 4.224 0.000 6.630) 7.861 8.859 ( -5.972 0.000 6.095) 8.533 8.904 ( 1.854 0.000 6.987) 7.229 8.931 ( -5.937 0.000 -2.081) 6.291 9.038 ( -2.447 0.000 -1.560) 2.903 9.184 ( -3.992 0.000 -6.537) 7.659 9.188 ( -1.203 0.000 -10.207) 10.278 9.352 ( 5.463 0.000 -10.492) 11.829 9.506 ( 6.658 0.000 4.345) 7.950 9.515 ( -8.455 0.000 -0.296) 8.461 9.657 ( -1.140 0.000 7.317) 7.405 9.786 ( -3.201 0.000 4.689) 5.678 9.831 ( -0.179 0.000 4.626) 4.629 9.919 ( -0.396 0.000 8.048) 8.058 10.105 ( 1.036 0.000 -0.865) 1.350 10.254 ( 3.413 0.000 3.236) 4.703 10.298 ( 0.090 0.000 9.430) 9.430 10.455 ( 3.157 0.000 -6.987) 7.667 10.559 ( 11.779 0.000 -9.350) 15.039 10.568 ( -0.340 0.000 -6.916) 6.925 10.705 ( -7.339 0.000 3.517) 8.138 10.766 ( 5.906 0.000 -4.278) 7.293 10.789 ( 3.442 0.000 -3.803) 5.130 10.936 ( -1.481 0.000 4.326) 4.573 10.948 ( 2.718 0.000 2.369) 3.606 10.962 ( 3.389 0.000 1.788) 3.832 11.088 ( 6.650 0.000 -3.396) 7.467 11.234 ( -15.053 0.000 5.128) 15.902 11.270 ( -3.025 0.000 1.348) 3.312 11.478 ( -6.205 0.000 -9.554) 11.392 11.686 ( -2.003 0.000 5.630) 5.976 11.760 ( -3.944 0.000 -2.573) 4.710 11.800 ( 2.090 0.000 1.000) 2.317 11.878 ( 4.668 0.000 -3.085) 5.595 11.935 ( -3.546 0.000 2.355) 4.257 12.032 ( 4.453 0.000 -6.091) 7.546 12.145 ( 1.224 0.000 -8.582) 8.669 12.215 ( -3.301 0.000 2.902) 4.396 12.243 ( -6.396 0.000 0.486) 6.415 12.327 ( -12.581 0.000 1.924) 12.727 12.506 ( -8.185 0.000 -6.061) 10.185 12.510 ( -2.660 0.000 -2.054) 3.361 12.767 ( -7.444 0.000 0.272) 7.449 12.811 ( -9.906 0.000 -3.280) 10.435 12.845 ( -2.576 0.000 10.228) 10.547 12.925 ( -9.950 0.000 0.772) 9.980 13.032 ( -4.701 0.000 5.852) 7.506 13.236 ( 5.490 0.000 -6.633) 8.610 13.322 ( -11.384 0.000 -5.200) 12.515 13.353 ( -7.219 0.000 -0.868) 7.271 13.405 ( -2.329 0.000 4.469) 5.040 13.480 ( 3.807 0.000 -2.194) 4.394 13.524 ( 5.626 0.000 -11.466) 12.772 13.782 ( -9.475 0.000 6.653) 11.577 13.829 ( -6.371 0.000 -4.037) 7.542 13.992 ( -6.884 0.000 6.118) 9.209 14.072 ( 4.200 0.000 3.390) 5.397 14.472 ( -0.436 0.000 -1.439) 1.504 14.532 ( 1.078 0.000 3.203) 3.380 14.812 ( -8.138 0.000 -13.866) 16.077 14.872 ( 3.000 0.000 -2.977) 4.227 14.903 ( -5.753 0.000 -6.159) 8.428 15.030 ( 5.322 0.000 -1.666) 5.576 15.301 ( -10.300 0.000 4.516) 11.246 15.494 ( -3.752 0.000 0.896) 3.858 15.496 ( 3.206 0.000 -5.691) 6.532 15.626 ( 11.212 0.000 8.687) 14.183 15.691 ( 2.462 0.000 -2.421) 3.453 15.731 ( 3.582 0.000 4.154) 5.485 15.921 ( 5.460 0.000 -4.775) 7.254 16.529 ( 2.219 0.000 -4.725) 5.220 16.691 ( 7.749 0.000 10.130) 12.754 16.900 ( 3.915 0.000 1.358) 4.144 17.113 ( 3.920 0.000 5.356) 6.638 17.173 ( 11.450 0.000 -1.156) 11.508 17.307 ( 7.464 0.000 -5.162) 9.075 17.340 ( 5.649 0.000 3.263) 6.524 17.507 ( 6.425 0.000 1.239) 6.544 21.191 ( -3.707 0.000 -1.999) 4.211 21.250 ( -1.116 0.000 -2.517) 2.754 21.452 ( -5.849 0.000 2.722) 6.452 21.713 ( -0.938 0.000 -12.805) 12.839 22.233 ( -0.234 0.000 -3.735) 3.742 22.286 ( -0.700 0.000 5.742) 5.785 22.396 ( -9.208 0.000 -0.731) 9.237 22.674 ( 1.093 0.000 -8.408) 8.479 22.914 ( -2.012 0.000 3.771) 4.274 22.959 ( 0.757 0.000 -1.347) 1.545 23.188 ( 0.133 0.000 -4.159) 4.161 23.190 ( 0.664 0.000 1.545) 1.682 23.658 ( -2.983 0.000 6.139) 6.825 23.688 ( -7.940 0.000 -0.279) 7.944 23.981 ( 11.550 0.000 16.780) 20.371 24.315 ( -2.930 0.000 7.998) 8.517 24.419 ( -4.907 0.000 -3.214) 5.866 24.494 ( 2.906 0.000 -1.265) 3.170 24.611 ( 11.952 0.000 -1.576) 12.056 24.944 ( -0.169 0.000 -4.050) 4.054 25.400 ( -5.440 0.000 1.783) 5.725 25.460 ( 8.692 0.000 -4.433) 9.757 25.599 ( 13.666 0.000 16.709) 21.586 26.238 ( 14.343 0.000 -3.307) 14.719 27.206 ( -4.182 0.000 -0.536) 4.217 27.233 ( -3.819 0.000 1.061) 3.964 27.318 ( -5.823 0.000 0.950) 5.900 27.433 ( -2.232 0.000 -4.231) 4.784 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -10.616 0.000 21.879) 24.319 1.064 ( -14.924 0.000 19.482) 24.541 1.530 ( -1.542 0.000 -10.881) 10.990 1.593 ( -21.899 0.000 8.669) 23.553 1.965 ( -9.945 0.000 -13.836) 17.039 1.970 ( -2.250 0.000 0.489) 2.302 2.089 ( 3.960 0.000 8.095) 9.012 2.221 ( -2.196 0.000 5.982) 6.372 2.251 ( -0.376 0.000 0.482) 0.611 2.311 ( -1.596 0.000 1.914) 2.492 2.374 ( -3.540 0.000 -4.553) 5.767 2.461 ( -2.118 0.000 -4.538) 5.008 2.608 ( -0.449 0.000 8.898) 8.910 2.683 ( -5.033 0.000 1.942) 5.394 2.700 ( -6.938 0.000 -0.103) 6.939 2.734 ( -7.689 0.000 5.254) 9.312 2.750 ( -4.322 0.000 -1.455) 4.560 2.967 ( 0.415 0.000 -3.518) 3.542 3.010 ( 2.695 0.000 0.677) 2.779 3.042 ( -2.098 0.000 -2.276) 3.096 3.104 ( -2.191 0.000 2.061) 3.007 3.153 ( 1.702 0.000 -1.654) 2.374 3.190 ( 0.542 0.000 8.535) 8.552 3.219 ( 1.205 0.000 4.188) 4.358 3.235 ( -3.655 0.000 -6.868) 7.780 3.314 ( 2.463 0.000 0.009) 2.463 3.415 ( 5.773 0.000 -7.633) 9.570 3.550 ( 0.961 0.000 -3.659) 3.783 3.614 ( -2.048 0.000 0.617) 2.139 3.675 ( -2.073 0.000 1.544) 2.585 3.731 ( -1.052 0.000 3.307) 3.470 3.772 ( -0.437 0.000 -6.212) 6.227 3.881 ( -2.677 0.000 -9.244) 9.624 3.977 ( -5.129 0.000 -0.135) 5.131 4.139 ( 5.056 0.000 2.894) 5.826 4.286 ( 0.683 0.000 -2.342) 2.440 4.381 ( 3.980 0.000 2.098) 4.499 4.444 ( 0.073 0.000 -3.150) 3.151 4.599 ( 5.851 0.000 1.562) 6.056 4.648 ( 0.591 0.000 4.423) 4.462 4.718 ( 2.513 0.000 6.203) 6.692 4.723 ( 0.481 0.000 -3.089) 3.126 4.919 ( 2.002 0.000 1.665) 2.604 4.947 ( 6.668 0.000 -3.948) 7.749 5.042 ( -0.215 0.000 -2.781) 2.789 5.130 ( -5.387 0.000 -3.896) 6.648 5.194 ( 5.349 0.000 -3.546) 6.418 5.388 ( 1.279 0.000 -2.409) 2.728 5.429 ( -4.029 0.000 2.298) 4.639 5.438 ( 4.530 0.000 1.845) 4.892 5.511 ( -6.189 0.000 -0.481) 6.208 5.551 ( 0.858 0.000 -0.712) 1.115 5.901 ( 2.811 0.000 -1.853) 3.367 5.920 ( -5.736 0.000 1.496) 5.927 6.130 ( -0.507 0.000 1.414) 1.502 6.205 ( 3.566 0.000 6.624) 7.523 6.404 ( 1.536 0.000 5.423) 5.636 6.447 ( 0.466 0.000 -4.628) 4.651 6.664 ( 5.779 0.000 -4.197) 7.142 6.701 ( -5.235 0.000 -0.891) 5.310 6.944 ( 3.931 0.000 -1.674) 4.272 7.071 ( 7.964 0.000 -1.648) 8.133 7.138 ( 13.655 0.000 -5.991) 14.911 7.308 ( -0.367 0.000 -1.023) 1.087 7.448 ( 10.076 0.000 3.341) 10.616 7.485 ( 7.529 0.000 -1.345) 7.648 7.659 ( -2.771 0.000 1.196) 3.018 7.886 ( -4.573 0.000 -1.044) 4.691 7.973 ( 12.936 0.000 -1.211) 12.993 8.029 ( -2.788 0.000 9.732) 10.124 8.257 ( -3.632 0.000 8.728) 9.454 8.257 ( 9.341 0.000 0.659) 9.365 8.393 ( 0.124 0.000 1.708) 1.712 8.394 ( 3.708 0.000 -2.145) 4.284 8.725 ( -8.072 0.000 -5.710) 9.887 8.830 ( -0.291 0.000 3.256) 3.269 8.893 ( -12.340 0.000 8.482) 14.974 8.903 ( 0.679 0.000 1.248) 1.421 8.962 ( 0.354 0.000 -6.560) 6.570 9.019 ( -6.852 0.000 -6.548) 9.478 9.157 ( 5.128 0.000 -6.233) 8.072 9.321 ( -1.494 0.000 -6.724) 6.888 9.378 ( -2.168 0.000 2.127) 3.037 9.678 ( -2.897 0.000 5.670) 6.367 9.733 ( 2.915 0.000 5.917) 6.597 9.823 ( 7.631 0.000 4.602) 8.911 9.908 ( 3.285 0.000 7.195) 7.909 9.920 ( -2.561 0.000 4.219) 4.935 10.146 ( 4.573 0.000 -4.620) 6.500 10.259 ( -2.785 0.000 0.459) 2.822 10.260 ( -6.389 0.000 5.017) 8.123 10.461 ( -0.018 0.000 -0.863) 0.863 10.561 ( 3.560 0.000 3.476) 4.975 10.608 ( -1.842 0.000 5.075) 5.399 10.734 ( -9.634 0.000 -7.873) 12.442 10.827 ( 14.176 0.000 -10.756) 17.795 10.864 ( 2.953 0.000 2.225) 3.697 10.875 ( 5.831 0.000 -7.414) 9.432 11.042 ( 5.170 0.000 -2.774) 5.867 11.089 ( -1.283 0.000 4.422) 4.604 11.096 ( 4.592 0.000 1.290) 4.769 11.136 ( -6.400 0.000 -1.870) 6.668 11.265 ( 6.268 0.000 2.030) 6.589 11.333 ( -3.622 0.000 -6.440) 7.389 11.612 ( -4.908 0.000 1.917) 5.269 11.631 ( -6.242 0.000 -4.364) 7.616 11.823 ( -3.169 0.000 1.244) 3.404 11.892 ( -0.827 0.000 0.377) 0.909 11.904 ( -7.208 0.000 3.958) 8.223 12.054 ( -10.422 0.000 -1.906) 10.595 12.065 ( -0.936 0.000 -6.251) 6.320 12.118 ( -1.797 0.000 3.221) 3.688 12.190 ( 13.410 0.000 -5.316) 14.425 12.224 ( 0.321 0.000 -1.559) 1.592 12.301 ( -7.297 0.000 -1.672) 7.486 12.392 ( -6.384 0.000 0.724) 6.425 12.541 ( -17.197 0.000 -7.575) 18.791 12.598 ( -8.648 0.000 1.674) 8.808 12.643 ( -10.906 0.000 1.378) 10.992 12.873 ( -7.934 0.000 2.657) 8.367 12.955 ( -9.168 0.000 -2.766) 9.576 13.008 ( -18.448 0.000 -9.556) 20.776 13.107 ( 0.744 0.000 1.915) 2.054 13.276 ( 0.942 0.000 -4.872) 4.963 13.416 ( -0.369 0.000 -1.263) 1.316 13.439 ( -4.234 0.000 -0.976) 4.345 13.542 ( 0.123 0.000 3.165) 3.167 13.703 ( -1.588 0.000 4.112) 4.408 13.737 ( -3.746 0.000 5.934) 7.017 14.011 ( 2.319 0.000 10.195) 10.456 14.072 ( -5.705 0.000 -7.187) 9.176 14.447 ( -2.012 0.000 -2.888) 3.520 14.556 ( -0.303 0.000 -7.261) 7.268 14.651 ( 8.142 0.000 0.917) 8.193 14.792 ( -0.520 0.000 -4.522) 4.552 14.857 ( -3.691 0.000 -1.106) 3.854 15.081 ( -2.875 0.000 4.238) 5.121 15.138 ( -6.655 0.000 -0.218) 6.659 15.428 ( -2.224 0.000 2.921) 3.671 15.495 ( 1.212 0.000 2.248) 2.554 15.703 ( 0.536 0.000 -9.007) 9.023 15.728 ( -0.367 0.000 0.129) 0.389 15.938 ( 7.371 0.000 8.925) 11.575 16.080 ( 9.640 0.000 -1.535) 9.762 16.581 ( 4.040 0.000 -0.077) 4.041 16.794 ( 0.322 0.000 -2.573) 2.593 17.062 ( 6.826 0.000 10.070) 12.165 17.282 ( 7.867 0.000 4.383) 9.006 17.348 ( 5.837 0.000 -4.481) 7.358 17.412 ( 6.475 0.000 -3.912) 7.565 17.518 ( 8.505 0.000 2.295) 8.809 17.627 ( 3.897 0.000 0.697) 3.959 21.111 ( -1.859 0.000 -2.984) 3.516 21.226 ( 0.283 0.000 -2.173) 2.191 21.353 ( -4.926 0.000 1.184) 5.066 21.448 ( -15.106 0.000 -13.930) 20.549 22.195 ( -6.034 0.000 2.438) 6.508 22.215 ( 0.762 0.000 -3.611) 3.690 22.335 ( -2.103 0.000 9.538) 9.767 22.619 ( -0.013 0.000 -10.106) 10.106 22.893 ( -2.012 0.000 3.366) 3.921 22.977 ( 1.464 0.000 -2.587) 2.973 23.163 ( 0.643 0.000 -3.243) 3.306 23.203 ( -0.804 0.000 1.616) 1.805 23.562 ( -3.091 0.000 -0.185) 3.097 23.617 ( -4.955 0.000 5.313) 7.265 24.298 ( -0.425 0.000 5.178) 5.196 24.427 ( 1.994 0.000 6.596) 6.891 24.432 ( 13.829 0.000 5.321) 14.817 24.556 ( 5.857 0.000 0.331) 5.866 24.788 ( 6.507 0.000 -3.297) 7.295 24.934 ( 2.343 0.000 -5.303) 5.798 25.343 ( 1.418 0.000 8.116) 8.238 25.602 ( 6.762 0.000 -3.898) 7.805 26.049 ( 19.112 0.000 15.410) 24.551 26.468 ( 9.056 0.000 -1.796) 9.232 27.126 ( -2.960 0.000 -0.040) 2.961 27.150 ( -4.414 0.000 0.587) 4.452 27.199 ( -5.291 0.000 -0.418) 5.308 27.304 ( -7.784 0.000 -5.196) 9.359 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -4.998 8.060 18.864) 21.114 1.233 ( 4.909 11.949 19.389) 23.299 1.483 ( 7.630 2.329 -13.447) 15.636 1.615 ( -4.871 4.786 -16.032) 17.426 1.921 ( 2.876 13.493 6.477) 15.241 1.969 ( -1.447 3.529 0.015) 3.814 2.105 ( 1.078 -1.398 6.564) 6.797 2.179 ( -0.097 -0.709 -2.617) 2.713 2.288 ( -1.328 3.494 2.383) 4.433 2.306 ( 1.939 1.221 -0.882) 2.455 2.382 ( -1.001 4.447 1.251) 4.727 2.414 ( -0.205 -5.757 0.016) 5.761 2.500 ( 2.357 -6.139 0.720) 6.615 2.521 ( -2.719 -1.987 -1.990) 3.912 2.650 ( -4.029 0.127 6.661) 7.786 2.710 ( 0.471 -0.595 0.444) 0.879 2.748 ( 3.144 2.125 10.033) 10.727 2.966 ( 0.809 -1.282 0.101) 1.519 3.004 ( -2.199 0.623 -3.968) 4.580 3.022 ( 0.578 0.075 -0.344) 0.677 3.050 ( -1.561 -1.057 -0.506) 1.951 3.179 ( 1.576 7.779 -6.873) 10.500 3.226 ( 0.158 1.222 -0.836) 1.489 3.242 ( -2.355 -4.271 1.589) 5.130 3.270 ( 3.087 1.002 -0.503) 3.284 3.335 ( 1.187 -1.391 -3.459) 3.912 3.492 ( -1.545 5.056 3.069) 6.113 3.580 ( -1.582 2.419 -4.713) 5.529 3.630 ( 2.491 -1.990 1.450) 3.503 3.666 ( -0.211 -3.929 -0.093) 3.936 3.721 ( 0.536 4.420 -2.121) 4.932 3.734 ( -0.450 0.243 -1.815) 1.886 3.839 ( 1.665 0.623 0.551) 1.862 3.876 ( -6.003 1.608 -1.985) 6.524 4.121 ( 1.202 -6.269 4.902) 8.048 4.221 ( -0.559 -5.568 -4.705) 7.311 4.341 ( 0.812 -4.686 7.419) 8.813 4.460 ( -1.277 0.344 -4.013) 4.225 4.607 ( -0.207 -1.631 2.435) 2.938 4.664 ( 1.772 -1.557 -2.823) 3.679 4.742 ( 2.515 0.585 7.044) 7.502 4.868 ( -2.998 0.029 -4.888) 5.734 4.903 ( 1.206 2.045 3.515) 4.242 4.979 ( 0.714 -0.806 -2.090) 2.351 5.035 ( -0.293 1.827 -0.847) 2.035 5.102 ( 0.517 1.937 -5.418) 5.777 5.259 ( 3.610 -1.638 0.664) 4.020 5.321 ( -1.026 -1.427 -4.510) 4.840 5.388 ( -3.375 2.488 3.798) 5.657 5.458 ( -1.764 3.513 -1.062) 4.072 5.563 ( 2.371 1.592 1.140) 3.075 5.597 ( 1.240 2.509 -1.150) 3.026 5.874 ( 0.900 -0.714 2.802) 3.028 5.935 ( 0.802 -0.382 -3.620) 3.727 6.195 ( 2.345 -0.631 3.004) 3.862 6.220 ( -1.369 1.100 0.303) 1.782 6.378 ( 2.048 -2.657 5.955) 6.835 6.498 ( -2.636 0.072 -6.477) 6.993 6.588 ( -1.509 -1.905 2.502) 3.488 6.656 ( 1.179 -4.583 -3.216) 5.722 6.987 ( 0.681 -2.335 1.696) 2.965 7.069 ( -4.076 -2.483 -6.473) 8.042 7.181 ( -4.485 -4.591 3.053) 7.108 7.269 ( 6.557 -5.147 -5.677) 10.085 7.613 ( -0.410 5.026 2.631) 5.688 7.619 ( -2.752 2.285 1.953) 4.075 7.812 ( 7.990 8.329 1.903) 11.698 7.888 ( -5.932 12.121 -5.785) 14.683 8.045 ( 2.110 -4.582 7.015) 8.640 8.157 ( -3.228 -3.145 -4.485) 6.358 8.200 ( 0.027 2.110 8.308) 8.572 8.312 ( -2.645 2.099 -1.485) 3.689 8.546 ( -0.278 4.925 6.664) 8.291 8.610 ( 5.324 6.972 -0.960) 8.824 8.640 ( 1.526 4.373 -1.906) 5.009 8.670 ( -11.221 5.414 3.204) 12.864 8.826 ( 1.840 -0.352 5.577) 5.883 8.893 ( -1.430 0.519 -3.568) 3.879 8.931 ( -0.454 -0.661 -2.894) 3.003 8.954 ( -5.064 5.528 -3.825) 8.417 9.180 ( -9.083 -0.064 4.640) 10.200 9.308 ( 6.136 1.847 -6.893) 9.412 9.460 ( 10.680 -1.612 1.066) 10.853 9.510 ( -1.505 -3.370 -4.415) 5.754 9.849 ( 1.580 -9.315 2.648) 9.812 9.869 ( 0.008 -0.346 1.292) 1.337 9.944 ( -0.525 -2.638 0.941) 2.850 9.972 ( 10.378 3.960 -1.861) 11.263 10.199 ( -6.031 0.724 4.846) 7.771 10.238 ( 0.538 1.575 4.197) 4.515 10.298 ( -7.641 -0.312 -3.480) 8.402 10.349 ( 1.217 3.215 -6.397) 7.262 10.544 ( 2.483 0.362 7.860) 8.251 10.645 ( 1.863 0.253 1.733) 2.557 10.726 ( 6.473 -8.979 8.579) 14.004 10.799 ( 0.805 -0.478 6.753) 6.818 10.885 ( -10.569 -2.398 -5.653) 12.224 10.905 ( 0.322 1.381 -2.165) 2.588 11.017 ( -4.236 -1.124 3.323) 5.500 11.064 ( -2.256 1.139 -4.358) 5.038 11.118 ( -2.388 -0.252 -6.326) 6.766 11.195 ( 2.001 0.322 -7.653) 7.917 11.251 ( 7.367 -0.808 0.503) 7.428 11.288 ( 1.984 -0.262 -1.067) 2.268 11.443 ( -2.890 -4.148 0.702) 5.104 11.514 ( -2.016 -11.544 -3.469) 12.221 11.643 ( -2.458 -7.558 1.188) 8.036 11.667 ( -1.563 -2.099 -1.382) 2.960 11.895 ( -2.022 -1.578 7.266) 7.706 11.950 ( 4.157 3.469 0.248) 5.420 12.010 ( -6.479 0.035 -1.612) 6.677 12.087 ( 4.819 0.135 -6.510) 8.100 12.169 ( -0.157 -0.997 2.291) 2.503 12.218 ( 1.277 -0.358 -2.419) 2.759 12.276 ( 5.088 -3.584 6.776) 9.201 12.367 ( -2.145 -1.946 -1.377) 3.207 12.507 ( 1.667 -0.897 -0.609) 1.988 12.515 ( 4.105 -1.062 -2.652) 5.001 12.615 ( 7.226 2.304 -0.546) 7.604 12.653 ( -6.053 0.498 -3.850) 7.191 12.813 ( -1.713 7.571 4.255) 8.852 12.914 ( -0.790 8.199 -5.555) 9.935 13.145 ( -1.211 -3.530 2.647) 4.575 13.205 ( -1.008 -1.897 -4.057) 4.591 13.363 ( 0.811 -0.538 1.670) 1.933 13.389 ( -0.730 -0.625 -0.412) 1.046 13.491 ( -2.964 -5.490 -0.339) 6.248 13.528 ( 2.826 -10.768 -2.837) 11.488 13.831 ( -0.405 9.007 9.242) 12.912 14.028 ( 2.717 5.752 -8.864) 10.910 14.371 ( 2.654 8.868 11.668) 14.894 14.513 ( 3.922 5.952 -2.585) 7.582 14.537 ( -2.526 -0.883 -1.449) 3.043 14.635 ( -1.968 -1.735 -9.634) 9.985 14.799 ( -6.710 -0.379 4.352) 8.007 14.846 ( 7.179 0.434 -1.361) 7.320 15.004 ( 2.494 -0.087 3.504) 4.302 15.083 ( -2.873 1.382 -4.530) 5.539 15.331 ( 0.032 -6.043 5.668) 8.285 15.444 ( -0.943 -9.278 -5.831) 10.999 15.770 ( 2.962 10.248 2.264) 10.905 15.822 ( -3.435 8.038 -3.218) 9.315 16.084 ( -1.649 1.839 6.828) 7.261 16.192 ( 1.914 0.173 -3.726) 4.192 16.653 ( 0.343 0.170 6.596) 6.607 16.772 ( -0.131 2.463 -5.357) 5.898 17.181 ( 1.363 -2.841 9.374) 9.889 17.316 ( -1.609 -5.187 -3.743) 6.595 17.389 ( 0.266 -2.431 1.991) 3.154 17.426 ( 0.592 -1.934 -2.140) 2.945 17.602 ( 0.566 -1.015 2.057) 2.363 17.650 ( -1.078 -0.576 -2.628) 2.898 21.065 ( -4.466 -1.008 1.782) 4.913 21.102 ( 2.037 -0.283 -2.068) 2.917 21.257 ( 1.836 -2.034 0.610) 2.808 21.281 ( -2.429 -0.976 -1.852) 3.206 22.156 ( -2.476 1.339 4.036) 4.920 22.213 ( 0.865 -0.380 -0.888) 1.297 22.413 ( -0.606 4.610 7.587) 8.899 22.581 ( 1.092 1.168 -8.747) 8.892 22.993 ( 0.934 8.755 5.251) 10.252 23.117 ( -1.121 10.215 -7.244) 12.573 23.186 ( -0.153 2.048 1.226) 2.391 23.224 ( -0.200 4.915 -3.154) 5.844 23.537 ( 0.525 -0.851 2.367) 2.570 23.553 ( -0.620 -1.264 0.520) 1.501 24.363 ( 2.013 -1.060 4.664) 5.189 24.422 ( 1.197 -7.337 0.767) 7.473 24.512 ( 1.031 -0.481 5.708) 5.820 24.649 ( 0.852 -0.744 -0.346) 1.183 24.752 ( -1.832 -4.923 -3.948) 6.571 24.787 ( -2.079 -8.646 -11.529) 14.560 25.484 ( 2.928 -2.884 4.451) 6.058 25.544 ( -0.857 -6.194 -1.609) 6.457 26.476 ( 1.256 4.396 9.246) 10.315 26.636 ( 2.077 4.809 -7.869) 9.453 27.102 ( -0.437 0.053 0.365) 0.571 27.108 ( -0.178 -0.047 -0.077) 0.200 27.118 ( -1.364 0.149 0.665) 1.525 27.138 ( 0.308 0.126 -1.294) 1.336 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 8.107 8.467 10.947) 16.039 1.434 ( 3.914 3.841 -11.344) 12.600 1.583 ( 13.758 7.037 9.319) 18.046 1.645 ( 11.922 6.365 -11.423) 17.696 1.927 ( -1.108 6.322 -0.647) 6.451 2.007 ( 2.277 -1.123 -0.323) 2.559 2.172 ( 1.823 1.134 -2.049) 2.967 2.213 ( 2.903 -3.858 -1.571) 5.077 2.259 ( -0.852 0.511 1.259) 1.604 2.336 ( 0.028 2.451 0.983) 2.641 2.365 ( 2.318 4.694 1.207) 5.373 2.470 ( 2.391 2.435 -1.160) 3.604 2.511 ( 3.975 -8.606 1.665) 9.624 2.598 ( 4.777 -7.429 -0.541) 8.848 2.674 ( 2.508 1.686 5.029) 5.867 2.804 ( 7.345 0.338 3.940) 8.342 2.879 ( 1.835 1.643 1.360) 2.814 2.964 ( -1.098 0.770 1.460) 1.982 2.994 ( 0.611 3.040 0.084) 3.102 3.016 ( 4.089 -3.704 0.377) 5.530 3.062 ( 2.738 4.434 5.830) 7.820 3.170 ( -2.532 -0.486 -0.866) 2.720 3.192 ( 3.224 2.870 -9.282) 10.236 3.248 ( -2.740 0.076 -2.057) 3.427 3.280 ( 0.330 -1.961 -0.485) 2.047 3.341 ( 3.844 1.071 -3.698) 5.440 3.457 ( -4.550 5.082 1.707) 7.031 3.524 ( 1.332 0.891 -1.381) 2.116 3.633 ( -2.387 -0.360 2.613) 3.558 3.646 ( -1.512 -0.203 -1.281) 1.991 3.699 ( 1.775 -0.927 2.975) 3.586 3.763 ( 0.916 3.319 -0.517) 3.482 3.800 ( 0.379 0.544 -0.578) 0.879 3.955 ( 4.829 2.131 4.775) 7.117 4.135 ( -2.276 -4.122 -1.975) 5.106 4.201 ( 0.888 -4.377 0.045) 4.467 4.384 ( -1.437 -0.045 2.424) 2.819 4.406 ( -0.854 -2.360 -0.488) 2.557 4.596 ( -2.276 -2.456 0.517) 3.388 4.646 ( -1.856 -1.738 -2.997) 3.930 4.761 ( -3.986 2.193 -2.952) 5.423 4.808 ( -3.543 -1.712 5.303) 6.604 4.916 ( -2.333 2.319 1.018) 3.443 4.945 ( -1.872 -1.437 -5.103) 5.622 5.038 ( 0.309 0.960 -1.291) 1.638 5.061 ( -0.588 1.035 0.078) 1.193 5.231 ( -0.918 -1.539 -4.912) 5.229 5.255 ( -5.749 -2.155 0.466) 6.157 5.415 ( 3.795 2.878 3.140) 5.705 5.508 ( 3.705 1.054 -0.250) 3.860 5.579 ( 0.327 4.412 0.801) 4.496 5.610 ( -0.146 2.341 -2.367) 3.332 5.895 ( 2.926 -0.672 -2.985) 4.234 5.979 ( 3.330 1.277 -1.764) 3.979 6.142 ( -1.454 0.139 1.664) 2.214 6.270 ( 0.883 -3.736 -4.291) 5.758 6.396 ( -1.381 0.899 -0.174) 1.657 6.459 ( -0.847 -1.660 3.488) 3.955 6.568 ( -2.325 0.813 2.648) 3.616 6.648 ( 0.933 -5.927 -1.435) 6.169 6.921 ( -5.891 -2.373 -1.627) 6.556 6.930 ( -7.614 -3.683 4.975) 9.813 7.055 ( -4.643 2.973 0.453) 5.531 7.286 ( -4.299 -3.757 -1.121) 5.818 7.571 ( -6.431 7.086 -0.975) 9.619 7.645 ( -8.645 9.484 -0.355) 12.837 7.693 ( 4.477 4.631 -0.160) 6.443 7.950 ( -13.416 2.266 0.925) 13.638 7.971 ( 5.090 5.322 -0.358) 7.373 8.136 ( 2.011 -2.276 6.384) 7.070 8.264 ( 2.895 -6.194 0.829) 6.887 8.282 ( -9.136 6.851 -1.986) 11.591 8.342 ( -1.231 0.300 3.822) 4.027 8.538 ( -2.959 7.552 -2.668) 8.539 8.657 ( 1.404 1.863 -0.384) 2.364 8.775 ( 3.368 0.837 4.843) 5.958 8.820 ( -0.852 -0.251 2.773) 2.911 8.912 ( -0.237 2.722 10.778) 11.119 8.958 ( 5.499 2.345 1.672) 6.208 8.989 ( 0.287 -3.230 4.602) 5.630 9.100 ( -2.035 3.510 -0.372) 4.074 9.242 ( -4.407 5.162 -1.503) 6.952 9.428 ( -2.128 -0.087 -3.408) 4.019 9.675 ( 2.791 -8.162 -5.387) 10.170 9.837 ( -4.958 -5.518 -0.091) 7.418 9.873 ( 1.407 2.026 -2.318) 3.385 9.898 ( 0.115 -8.888 -5.863) 10.648 10.033 ( -2.845 -2.803 -1.890) 4.419 10.173 ( 4.578 7.796 -2.008) 9.262 10.267 ( -0.684 1.877 3.544) 4.068 10.333 ( 3.153 1.996 5.297) 6.479 10.376 ( 3.865 -2.535 1.921) 5.005 10.565 ( -4.006 -5.630 -6.358) 9.390 10.597 ( -0.756 1.896 -1.106) 2.322 10.722 ( 0.501 2.389 2.071) 3.201 10.751 ( -7.566 -0.084 2.101) 7.852 10.800 ( -8.743 -0.183 -2.459) 9.084 10.882 ( 1.301 6.491 -0.625) 6.649 11.014 ( 0.705 0.117 3.829) 3.895 11.065 ( 2.310 -0.846 1.610) 2.940 11.130 ( 6.341 -2.150 0.668) 6.729 11.185 ( 6.643 -2.962 1.230) 7.377 11.300 ( -2.961 3.935 -0.021) 4.925 11.344 ( 3.490 -0.504 -7.300) 8.108 11.405 ( -2.296 -4.881 1.967) 5.741 11.574 ( 4.217 -7.299 1.721) 8.603 11.679 ( 2.495 -13.559 2.573) 14.025 11.742 ( 8.639 -3.693 2.918) 9.838 11.851 ( -4.240 1.331 6.170) 7.603 11.943 ( 2.115 1.913 2.858) 4.037 12.064 ( 5.804 -4.291 -7.364) 10.312 12.137 ( -2.527 -1.971 -1.834) 3.693 12.230 ( 2.206 -0.349 -4.679) 5.185 12.279 ( 4.321 -0.068 0.792) 4.393 12.333 ( 5.949 -0.065 -0.687) 5.988 12.435 ( 1.931 1.362 -3.798) 4.473 12.474 ( 10.483 -0.743 1.093) 10.566 12.671 ( 7.094 2.866 -4.010) 8.638 12.704 ( 10.933 -2.013 -5.858) 12.566 12.874 ( 15.611 0.262 3.539) 16.009 12.947 ( 9.856 3.148 2.098) 10.557 12.983 ( 10.066 5.701 -1.311) 11.642 13.091 ( -2.833 -4.086 1.403) 5.166 13.196 ( -0.364 -2.170 0.208) 2.211 13.319 ( -3.590 2.274 2.492) 4.926 13.414 ( 1.283 -0.984 0.857) 1.830 13.486 ( 2.753 -10.560 -1.355) 10.997 13.569 ( 3.009 -8.894 -3.412) 9.990 13.939 ( 5.361 5.190 6.469) 9.876 14.060 ( 6.377 5.302 -9.694) 12.757 14.380 ( -5.811 7.868 0.522) 9.795 14.462 ( -4.604 -2.899 -10.029) 11.409 14.535 ( 2.013 10.323 7.728) 13.051 14.599 ( 1.560 -3.506 -3.510) 5.200 14.696 ( -2.828 -0.633 3.264) 4.365 14.927 ( -1.683 6.150 -3.803) 7.424 15.077 ( 10.202 -3.280 -0.517) 10.729 15.160 ( 5.592 0.003 1.142) 5.707 15.366 ( -1.296 -7.817 6.026) 9.955 15.392 ( 0.110 -7.024 -3.959) 8.063 15.720 ( -4.311 7.597 -1.256) 8.824 15.835 ( 1.155 8.086 2.315) 8.490 16.004 ( -9.055 1.371 5.061) 10.464 16.127 ( -5.921 2.527 -4.901) 8.091 16.617 ( -6.631 1.108 0.976) 6.793 16.743 ( -0.024 0.987 -0.777) 1.257 17.185 ( -7.803 -5.007 -4.043) 10.114 17.211 ( -3.935 -1.893 7.135) 8.365 17.326 ( -7.033 -1.160 1.293) 7.245 17.362 ( -4.351 -0.017 -3.608) 5.652 17.538 ( -6.839 -0.351 -0.805) 6.896 17.584 ( -4.548 -2.234 1.817) 5.383 21.069 ( 2.920 1.582 2.095) 3.927 21.173 ( 3.763 -1.695 0.673) 4.181 21.247 ( 2.351 -3.091 -0.245) 3.891 21.356 ( 5.345 -2.530 1.348) 6.065 22.148 ( -1.087 1.269 4.352) 4.661 22.245 ( 2.456 -0.668 0.319) 2.565 22.461 ( 0.634 4.571 7.322) 8.655 22.549 ( 0.913 2.945 -8.703) 9.233 23.004 ( -1.591 7.629 0.128) 7.794 23.100 ( 2.003 11.253 -0.769) 11.456 23.173 ( -0.791 4.396 1.566) 4.733 23.237 ( 1.339 1.388 -1.056) 2.199 23.533 ( 1.342 -0.964 0.839) 1.853 23.651 ( 6.822 -2.523 0.304) 7.280 24.369 ( -3.298 -4.248 -2.250) 5.829 24.392 ( -2.288 -5.223 -3.598) 6.743 24.534 ( -3.700 -0.296 0.179) 3.716 24.600 ( -2.756 0.341 -3.745) 4.662 24.691 ( -2.222 -8.649 4.732) 10.106 24.715 ( -1.339 -4.348 -0.899) 4.637 25.441 ( -6.395 -3.166 -1.541) 7.300 25.477 ( -3.379 -2.465 0.879) 4.274 26.351 ( -13.538 5.984 -1.649) 14.893 26.464 ( -14.219 4.841 0.192) 15.022 27.130 ( 2.763 0.216 -0.253) 2.783 27.157 ( 4.560 -0.525 -0.313) 4.601 27.193 ( 7.253 -0.949 -0.668) 7.346 27.226 ( 5.804 -1.138 1.036) 6.005 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 14.614 6.322 -4.941) 16.672 1.565 ( 14.185 5.746 2.455) 15.500 1.772 ( 8.219 6.359 -10.628) 14.864 1.867 ( 4.220 0.211 -0.162) 4.228 1.993 ( 8.556 2.438 8.068) 12.010 2.039 ( 1.988 -1.418 -2.050) 3.188 2.201 ( 0.218 -4.819 -0.917) 4.910 2.241 ( 4.892 -1.036 4.994) 7.068 2.286 ( 1.368 -1.978 -0.647) 2.491 2.349 ( 1.658 4.596 -0.086) 4.887 2.413 ( 2.316 -0.460 1.240) 2.666 2.529 ( 0.131 5.791 0.943) 5.869 2.609 ( 3.643 -5.011 2.571) 6.708 2.703 ( 0.333 -2.148 -1.741) 2.785 2.719 ( 6.868 -10.995 -0.190) 12.965 2.852 ( -3.475 -4.115 1.400) 5.565 2.892 ( -2.799 -1.767 0.186) 3.316 2.944 ( -6.724 -2.230 0.877) 7.138 3.017 ( 2.422 2.339 0.036) 3.367 3.053 ( -3.966 0.955 -1.910) 4.505 3.118 ( 5.363 3.323 2.106) 6.651 3.200 ( 3.605 3.537 -4.985) 7.096 3.242 ( 7.579 0.847 -2.618) 8.063 3.286 ( 5.905 3.211 -2.765) 7.268 3.332 ( -2.060 -0.670 -1.596) 2.691 3.375 ( 7.119 5.466 6.506) 11.086 3.461 ( 9.500 5.401 -4.371) 11.770 3.574 ( 4.336 2.109 -1.595) 5.078 3.643 ( 1.179 -1.540 3.086) 3.645 3.663 ( 2.735 3.838 3.259) 5.729 3.768 ( 0.756 0.364 2.821) 2.943 3.802 ( 1.546 0.287 -1.464) 2.148 3.859 ( 7.167 0.951 7.543) 10.448 4.009 ( -2.928 -1.832 0.515) 3.492 4.095 ( 1.693 2.042 -0.169) 2.658 4.195 ( -1.848 1.095 1.018) 2.377 4.319 ( -8.956 -0.657 3.226) 9.542 4.374 ( -0.131 0.183 -4.119) 4.125 4.519 ( -5.860 1.123 -2.171) 6.350 4.569 ( -3.457 -5.646 1.871) 6.879 4.661 ( -9.267 -1.530 -0.064) 9.392 4.684 ( -5.975 3.798 0.492) 7.097 4.815 ( -5.668 3.394 -4.164) 7.809 4.838 ( -5.886 -6.183 -4.709) 9.749 4.965 ( -2.708 -0.159 0.801) 2.828 5.076 ( -0.188 2.723 3.711) 4.607 5.143 ( -4.773 -2.880 1.464) 5.764 5.308 ( 7.402 -4.800 0.136) 8.823 5.445 ( -2.469 1.117 -2.708) 3.831 5.496 ( -3.544 0.643 1.463) 3.887 5.586 ( 1.934 4.259 -2.864) 5.485 5.664 ( 3.909 3.056 -0.398) 4.978 5.919 ( 1.334 1.865 -1.015) 2.507 6.041 ( 3.584 2.064 0.219) 4.142 6.184 ( 1.819 -2.855 -3.178) 4.643 6.239 ( 4.746 0.423 -6.823) 8.322 6.403 ( -5.092 -0.462 1.892) 5.451 6.441 ( 2.059 0.647 4.348) 4.854 6.509 ( -3.816 3.979 0.012) 5.513 6.652 ( -5.147 -5.857 5.784) 9.708 6.841 ( 0.820 0.467 3.580) 3.702 6.883 ( 1.324 -1.781 0.371) 2.250 7.035 ( 1.528 1.795 -1.211) 2.650 7.130 ( -10.882 -0.596 1.026) 10.947 7.391 ( -4.736 7.746 -3.391) 9.692 7.484 ( -6.551 11.932 0.922) 13.644 7.611 ( -9.193 2.927 -0.944) 9.694 7.915 ( 3.571 3.011 2.376) 5.240 8.017 ( 0.910 2.057 -1.352) 2.624 8.113 ( -4.708 3.599 -0.773) 5.976 8.176 ( -0.391 1.557 -2.150) 2.683 8.311 ( -1.818 -0.475 1.058) 2.156 8.374 ( 1.541 0.721 0.374) 1.742 8.447 ( -1.323 3.362 -3.355) 4.930 8.732 ( 2.084 -2.380 5.208) 6.093 8.833 ( 1.337 -3.036 0.386) 3.340 8.888 ( 5.353 -3.048 -0.264) 6.166 8.925 ( -6.148 -3.240 1.678) 7.149 9.002 ( 0.069 -1.508 9.223) 9.346 9.064 ( 1.876 0.649 4.575) 4.987 9.078 ( -0.367 2.726 3.632) 4.556 9.224 ( 2.442 3.426 0.553) 4.244 9.401 ( -0.122 -1.909 3.686) 4.153 9.582 ( -5.999 -1.801 -4.012) 7.439 9.702 ( -3.555 -4.538 -1.654) 5.997 9.819 ( -0.978 -9.559 -6.835) 11.792 9.876 ( -0.043 -2.141 -2.543) 3.324 10.006 ( -3.683 -4.272 -0.400) 5.654 10.186 ( -1.844 8.907 0.049) 9.096 10.286 ( 2.450 -0.196 3.059) 3.924 10.324 ( -5.614 -0.816 4.868) 7.476 10.373 ( -2.880 2.826 -4.921) 6.363 10.514 ( -5.503 1.120 -2.354) 6.089 10.540 ( -3.709 4.145 2.476) 6.089 10.638 ( 2.299 -0.043 0.674) 2.396 10.740 ( 1.650 -1.034 -3.111) 3.671 10.824 ( 0.796 5.455 0.379) 5.526 10.930 ( 5.125 1.235 2.912) 6.023 11.036 ( -4.715 -2.645 -1.318) 5.565 11.097 ( -0.766 0.679 -6.114) 6.199 11.123 ( 6.268 5.869 -1.513) 8.719 11.281 ( 1.369 2.089 6.077) 6.571 11.348 ( 6.837 -0.845 -4.275) 8.107 11.447 ( 8.175 2.328 -8.124) 11.758 11.470 ( 1.940 -11.797 11.675) 16.710 11.646 ( 2.870 -2.549 5.716) 6.885 11.715 ( -1.028 -7.129 7.936) 10.717 11.813 ( -1.768 -1.463 -2.871) 3.676 11.878 ( 4.062 -1.034 1.771) 4.551 11.979 ( -4.975 -3.616 -0.262) 6.156 12.037 ( 3.204 1.215 1.345) 3.682 12.204 ( 7.415 -5.985 -6.685) 11.640 12.299 ( 7.868 -2.492 -5.866) 10.126 12.395 ( 3.007 4.258 5.653) 7.689 12.464 ( 5.104 -0.136 -2.040) 5.498 12.513 ( 8.145 0.415 0.905) 8.206 12.631 ( 3.000 0.148 -0.117) 3.006 12.789 ( 7.901 -4.206 -2.575) 9.314 12.908 ( 8.795 -0.472 2.108) 9.057 13.007 ( -3.633 -1.821 -1.358) 4.285 13.111 ( 5.303 -4.260 -3.313) 7.566 13.181 ( 2.044 -3.093 0.489) 3.739 13.213 ( 5.216 3.718 2.981) 7.065 13.274 ( 11.886 1.589 3.885) 12.605 13.306 ( 5.227 3.228 6.820) 9.179 13.456 ( 2.158 -3.680 -5.170) 6.703 13.490 ( 1.375 -3.720 -5.166) 6.513 13.664 ( 7.269 -8.319 -1.429) 11.139 14.054 ( 3.793 -1.283 -3.383) 5.242 14.131 ( 4.651 7.856 -7.926) 12.090 14.302 ( -2.138 7.700 3.104) 8.572 14.348 ( 1.133 -4.396 -5.058) 6.796 14.603 ( 3.897 1.089 0.737) 4.113 14.655 ( 3.687 -3.448 0.757) 5.105 14.722 ( 2.608 2.664 3.986) 5.458 14.873 ( -1.456 5.061 0.085) 5.267 15.113 ( -8.033 -0.103 -3.743) 8.863 15.300 ( -2.332 -9.655 0.173) 9.934 15.359 ( 8.861 -0.351 1.449) 8.985 15.454 ( 6.144 -1.535 1.743) 6.568 15.678 ( -0.676 3.411 3.142) 4.686 15.802 ( -6.756 3.678 1.959) 7.938 15.858 ( -5.613 3.517 -1.633) 6.822 15.907 ( -10.798 5.365 -2.385) 12.291 16.467 ( -7.308 1.531 1.547) 7.625 16.725 ( -1.977 -3.507 -1.532) 4.308 16.966 ( -8.929 -1.757 -4.511) 10.157 17.114 ( -9.590 -3.368 1.616) 10.292 17.195 ( -5.733 2.449 5.402) 8.249 17.252 ( -3.599 2.188 -3.642) 5.568 17.385 ( -6.330 -0.562 -1.282) 6.483 17.476 ( -6.795 -2.381 1.529) 7.361 21.168 ( 5.118 0.808 0.501) 5.206 21.224 ( 2.094 0.440 0.565) 2.213 21.367 ( 6.503 -7.352 2.386) 10.102 21.474 ( 4.300 -4.219 2.783) 6.636 22.166 ( -0.144 1.523 4.873) 5.108 22.316 ( 3.261 -1.519 3.100) 4.749 22.495 ( -0.914 3.935 -6.462) 7.621 22.530 ( 1.674 4.050 4.669) 6.403 22.983 ( -0.095 4.337 -1.057) 4.465 23.104 ( -0.141 9.291 -2.320) 9.577 23.216 ( 1.092 10.175 7.563) 12.724 23.246 ( 0.592 1.680 -0.665) 1.901 23.613 ( 5.767 -3.237 -0.558) 6.637 23.796 ( 7.426 -1.639 -2.750) 8.087 24.162 ( -11.532 -8.339 -9.318) 17.010 24.352 ( 1.773 -3.177 -1.074) 3.793 24.461 ( -3.369 -1.597 -0.601) 3.777 24.496 ( -3.173 -2.403 -6.343) 7.489 24.607 ( -7.922 1.668 -0.213) 8.098 24.745 ( 0.302 -5.675 6.187) 8.401 25.312 ( -5.423 -0.166 1.368) 5.595 25.473 ( 3.955 -0.587 -0.096) 4.000 25.988 ( -16.656 7.261 -9.567) 20.535 26.158 ( -17.439 2.512 6.625) 18.823 27.201 ( 3.830 0.213 0.037) 3.836 27.243 ( 3.937 -0.726 -0.554) 4.041 27.331 ( 6.006 -1.533 -0.769) 6.246 27.342 ( 4.369 -1.539 1.392) 4.837 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 2.878 1.426 0.192) 3.217 1.811 ( 10.277 3.329 -1.045) 10.853 1.885 ( 1.047 1.150 -0.060) 1.556 1.898 ( 9.649 1.986 -2.349) 10.128 2.059 ( 1.060 -1.611 1.313) 2.333 2.202 ( -1.524 0.749 -0.318) 1.727 2.236 ( 5.033 -2.247 5.138) 7.535 2.245 ( 4.088 -0.784 -5.407) 6.823 2.379 ( -2.748 -3.060 2.924) 5.046 2.415 ( 1.192 0.701 6.527) 6.672 2.457 ( 1.299 0.597 -0.513) 1.519 2.535 ( -2.493 1.229 -2.680) 3.861 2.603 ( 4.141 -0.345 2.467) 4.833 2.721 ( 0.759 0.427 2.958) 3.083 2.753 ( -4.090 -3.121 5.188) 7.306 2.789 ( -2.496 -0.829 -0.389) 2.659 2.853 ( 2.463 -8.890 -5.111) 10.547 2.873 ( 1.090 -5.369 0.857) 5.545 2.980 ( -1.640 -1.686 -2.005) 3.091 3.081 ( -6.140 1.381 -0.428) 6.308 3.124 ( 3.519 5.258 6.241) 8.887 3.205 ( -1.636 -0.103 -2.760) 3.210 3.259 ( 1.199 1.098 -4.523) 4.806 3.364 ( 3.380 1.690 -5.901) 7.007 3.472 ( 7.142 4.487 1.738) 8.612 3.512 ( 4.511 3.722 1.796) 6.118 3.634 ( 6.030 3.133 -7.163) 9.873 3.685 ( -0.466 3.928 3.339) 5.177 3.714 ( 2.030 -1.191 6.624) 7.030 3.743 ( 2.805 -2.988 -1.876) 4.507 3.759 ( 2.668 1.469 2.183) 3.747 3.876 ( 1.838 0.910 -1.647) 2.630 3.960 ( 3.126 0.693 -1.218) 3.426 4.026 ( 2.044 0.954 6.246) 6.641 4.123 ( -2.539 3.264 3.303) 5.292 4.168 ( -3.161 0.611 3.287) 4.601 4.195 ( 3.086 4.640 3.095) 6.375 4.305 ( -7.671 5.504 1.316) 9.533 4.329 ( -7.755 7.422 -4.625) 11.688 4.433 ( -4.198 -2.205 -5.996) 7.645 4.542 ( -1.413 -2.964 2.813) 4.324 4.605 ( -4.466 2.558 -4.398) 6.770 4.648 ( -5.467 -4.025 -2.802) 7.345 4.702 ( -2.979 -1.730 -4.761) 5.877 4.982 ( 2.467 -3.113 4.443) 5.960 5.098 ( -1.459 -4.173 1.523) 4.676 5.174 ( 5.747 1.706 6.460) 8.814 5.380 ( -0.518 -0.948 -0.657) 1.264 5.399 ( -1.588 -0.697 -0.336) 1.766 5.422 ( -1.587 -2.715 -0.842) 3.256 5.587 ( 0.029 1.135 -1.966) 2.270 5.674 ( -2.438 0.914 -2.531) 3.631 5.995 ( 6.348 2.770 -0.218) 6.929 6.081 ( -1.313 2.780 1.882) 3.605 6.239 ( 5.386 0.213 -2.263) 5.845 6.297 ( 2.037 -0.150 -3.204) 3.800 6.312 ( -2.337 3.657 -0.817) 4.416 6.388 ( -5.219 3.071 -0.125) 6.057 6.528 ( 1.827 -0.145 2.135) 2.814 6.560 ( -5.558 -1.857 4.718) 7.523 6.914 ( 1.598 0.565 1.239) 2.100 6.935 ( -1.585 2.426 1.823) 3.424 6.960 ( 1.596 2.380 0.373) 2.890 7.048 ( -1.020 2.072 -1.069) 2.545 7.349 ( 0.184 4.965 -3.671) 6.178 7.388 ( -2.037 9.500 -3.313) 10.265 7.581 ( 5.482 3.787 3.956) 7.749 7.838 ( -6.441 3.866 -3.655) 8.354 8.017 ( -0.942 -0.835 -0.833) 1.510 8.063 ( -3.829 0.502 0.761) 3.936 8.195 ( 4.678 1.724 0.207) 4.990 8.281 ( -0.512 0.777 0.589) 1.102 8.364 ( -2.111 4.929 -1.212) 5.498 8.392 ( -2.234 3.872 -3.078) 5.428 8.741 ( -5.759 -5.302 -0.489) 7.843 8.782 ( -2.510 -4.061 -1.762) 5.089 8.915 ( 5.808 -7.439 3.336) 10.010 8.988 ( -2.368 -2.574 3.914) 5.249 9.022 ( 4.177 -2.989 -0.486) 5.159 9.094 ( -0.617 -4.754 0.185) 4.798 9.124 ( 0.220 3.059 8.152) 8.710 9.279 ( 1.914 0.957 -1.005) 2.364 9.454 ( 2.645 -2.055 1.232) 3.568 9.485 ( -2.804 -2.207 5.041) 6.176 9.700 ( 1.515 -5.480 1.775) 5.956 9.782 ( -0.105 -5.568 -3.644) 6.655 9.862 ( -1.844 -1.407 1.741) 2.901 9.920 ( -4.373 -1.629 5.076) 6.895 10.120 ( -2.525 3.715 -1.153) 4.637 10.245 ( -3.391 1.698 -1.125) 3.956 10.269 ( -3.176 2.942 -0.352) 4.344 10.380 ( 5.257 1.520 -0.721) 5.520 10.434 ( -1.552 -0.373 -0.448) 1.658 10.506 ( 0.046 8.091 -1.454) 8.221 10.676 ( 1.706 -1.175 -0.344) 2.100 10.785 ( 3.534 0.860 -0.778) 3.719 10.841 ( 0.025 6.522 4.134) 7.722 10.862 ( -6.036 -1.190 -3.372) 7.016 10.970 ( -1.673 0.966 -2.669) 3.295 11.069 ( -0.676 -0.658 -5.762) 5.838 11.180 ( 1.205 0.598 -3.939) 4.162 11.294 ( -7.324 1.167 -1.713) 7.611 11.441 ( 5.765 1.357 11.698) 13.112 11.590 ( 11.780 -3.862 0.375) 12.403 11.662 ( 5.343 -3.183 -1.273) 6.349 11.702 ( 1.986 -1.292 5.325) 5.828 11.748 ( -1.096 -2.654 2.705) 3.945 11.808 ( -3.769 -3.419 0.524) 5.116 11.915 ( 3.722 2.521 1.032) 4.612 11.964 ( 3.830 -0.571 1.900) 4.314 12.075 ( -1.415 2.135 -1.137) 2.802 12.222 ( -0.317 -2.367 -6.001) 6.459 12.404 ( 4.890 -6.000 -4.320) 8.864 12.428 ( -2.130 -0.268 3.397) 4.018 12.576 ( 6.247 -5.148 -2.383) 8.438 12.644 ( -0.290 -2.750 -2.487) 3.719 12.701 ( 6.582 -3.026 4.199) 8.374 12.843 ( -3.518 -5.423 0.348) 6.473 12.945 ( 0.273 -1.430 1.748) 2.275 13.044 ( -0.699 -6.078 3.514) 7.055 13.127 ( 2.847 2.505 -4.422) 5.825 13.194 ( -2.651 5.521 5.479) 8.218 13.238 ( 0.716 -7.727 0.208) 7.763 13.332 ( -0.864 1.553 -6.962) 7.185 13.520 ( 6.020 2.524 -1.275) 6.651 13.533 ( 1.449 0.728 5.787) 6.010 13.557 ( 8.862 0.754 -3.309) 9.489 13.744 ( 2.255 -3.131 -5.797) 6.963 14.091 ( 1.522 6.274 -0.869) 6.514 14.162 ( 3.359 4.081 -6.061) 8.042 14.322 ( 4.050 0.943 0.079) 4.159 14.462 ( 9.777 1.958 -0.315) 9.976 14.576 ( -7.902 -5.979 -1.414) 10.009 14.766 ( -4.428 -0.958 -0.018) 4.530 14.786 ( 0.098 -0.185 -7.203) 7.206 14.846 ( -1.654 1.629 5.883) 6.325 14.958 ( 7.578 -0.216 8.153) 11.133 15.228 ( -0.973 -8.456 0.692) 8.540 15.500 ( -10.381 -0.077 -7.734) 12.945 15.542 ( -1.285 -0.565 -4.220) 4.448 15.578 ( 3.753 3.472 3.715) 6.320 15.703 ( -2.243 4.094 0.131) 4.670 15.782 ( 1.864 2.732 2.877) 4.384 15.815 ( -1.226 2.174 1.668) 3.002 16.387 ( -2.989 0.378 7.257) 7.857 16.626 ( -4.028 -4.762 -6.917) 9.313 16.851 ( -0.209 -0.049 -0.430) 0.480 16.940 ( -6.845 -1.528 -0.245) 7.017 17.130 ( -4.179 2.597 4.879) 6.929 17.180 ( -0.709 3.393 -2.969) 4.564 17.312 ( 0.219 -1.526 -1.322) 2.030 17.354 ( -5.351 -1.449 0.730) 5.592 21.252 ( 2.599 -0.130 -0.015) 2.602 21.270 ( 1.798 0.983 -0.187) 2.058 21.491 ( 2.391 -7.189 4.031) 8.582 21.545 ( 2.558 -6.436 -0.333) 6.933 22.205 ( 0.602 2.016 5.851) 6.218 22.370 ( -0.775 1.917 -0.944) 2.273 22.453 ( -0.364 -1.749 3.420) 3.859 22.587 ( 2.410 0.927 -0.851) 2.719 22.985 ( 0.461 5.394 0.770) 5.468 23.076 ( -0.974 6.597 -3.604) 7.580 23.272 ( 1.732 10.912 5.758) 12.459 23.303 ( 2.419 9.871 6.281) 11.948 23.679 ( 2.058 -5.363 -8.507) 10.265 23.807 ( -7.916 -4.982 -9.987) 13.683 24.009 ( 7.311 -1.348 0.509) 7.452 24.325 ( -10.353 -1.064 -2.100) 10.618 24.423 ( -1.796 -0.242 -4.356) 4.718 24.431 ( -0.548 -1.080 0.891) 1.504 24.492 ( 5.362 -8.790 2.746) 10.657 24.743 ( -2.458 -6.638 -1.755) 7.293 25.282 ( 0.656 7.309 5.542) 9.196 25.543 ( -5.357 7.609 -3.399) 9.907 25.709 ( 3.856 -1.599 -5.155) 6.633 25.863 ( -14.831 0.183 5.198) 15.716 27.265 ( 1.950 0.043 0.468) 2.005 27.294 ( 1.242 -0.580 -0.914) 1.648 27.402 ( 0.731 -1.222 1.984) 2.442 27.420 ( 3.160 -1.480 -1.503) 3.800 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -10.431 3.317 4.214) 11.729 1.812 ( -7.157 3.162 -0.373) 7.833 1.878 ( -6.790 1.276 -1.652) 7.104 1.917 ( -4.872 0.259 -2.267) 5.380 2.058 ( -4.730 0.230 2.560) 5.383 2.141 ( -5.880 -0.670 3.570) 6.912 2.179 ( 2.761 0.614 2.536) 3.799 2.277 ( -5.297 0.769 1.574) 5.579 2.432 ( 1.998 -4.855 -1.544) 5.473 2.452 ( -1.161 -3.836 -1.503) 4.281 2.490 ( 8.947 -1.424 0.781) 9.094 2.543 ( 3.662 3.605 -5.033) 7.193 2.653 ( -5.759 -7.504 1.943) 9.656 2.706 ( 2.468 0.398 1.598) 2.967 2.762 ( -1.719 -3.049 -1.831) 3.950 2.834 ( 3.883 2.463 -0.242) 4.604 2.870 ( -2.948 -1.556 -4.401) 5.521 2.907 ( 5.144 -0.778 -1.222) 5.344 2.932 ( -2.948 -3.891 0.009) 4.882 3.037 ( 8.117 -2.767 1.515) 8.708 3.107 ( -6.738 3.566 7.434) 10.648 3.211 ( -0.633 0.024 1.940) 2.041 3.251 ( -6.007 3.877 -1.629) 7.333 3.313 ( 0.319 3.125 -5.554) 6.381 3.417 ( -14.394 3.462 3.916) 15.313 3.530 ( -6.193 2.385 0.315) 6.644 3.561 ( -6.750 5.426 1.086) 8.728 3.678 ( -2.716 -1.338 4.869) 5.734 3.719 ( -1.121 -0.204 2.640) 2.875 3.749 ( 1.960 -3.113 2.213) 4.294 3.790 ( -1.850 0.751 -1.185) 2.321 3.869 ( 1.228 1.796 -1.610) 2.707 3.977 ( -3.802 -0.118 -2.766) 4.703 4.143 ( 1.226 2.489 4.436) 5.232 4.163 ( 3.519 3.339 -5.799) 7.561 4.197 ( 2.618 2.655 1.982) 4.222 4.258 ( 4.000 5.020 -3.730) 7.424 4.266 ( 2.223 3.611 -0.945) 4.344 4.324 ( 2.846 -1.755 3.227) 4.647 4.357 ( 7.014 7.094 -4.877) 11.104 4.448 ( -1.247 1.656 5.558) 5.932 4.612 ( 3.345 -1.513 0.895) 3.779 4.630 ( 3.412 -2.690 1.157) 4.496 4.697 ( 5.647 -2.334 -6.712) 9.077 5.076 ( 0.062 -4.567 -4.150) 6.171 5.096 ( 5.864 -4.746 1.505) 7.692 5.301 ( -4.287 -0.720 -3.219) 5.409 5.324 ( 2.474 -2.126 3.991) 5.154 5.381 ( -0.458 0.640 0.051) 0.789 5.428 ( 3.354 0.980 -0.076) 3.495 5.557 ( -5.871 0.714 0.201) 5.917 5.602 ( 0.108 -0.369 3.929) 3.948 6.015 ( -4.209 3.116 -1.604) 5.477 6.107 ( 2.568 1.651 -1.544) 3.422 6.205 ( -5.302 -0.299 0.690) 5.355 6.273 ( -5.963 2.673 -0.070) 6.535 6.312 ( 2.908 2.055 -0.563) 3.605 6.401 ( 6.960 4.739 -1.070) 8.488 6.550 ( 2.567 -0.802 -0.334) 2.710 6.615 ( 7.042 -2.730 -0.641) 7.580 6.914 ( 0.085 2.138 1.083) 2.398 6.959 ( 0.504 4.289 -0.637) 4.366 6.981 ( -2.452 1.646 -0.925) 3.095 7.022 ( 1.292 0.614 1.094) 1.800 7.333 ( 0.109 7.059 -1.316) 7.182 7.377 ( 4.065 7.842 -3.169) 9.384 7.671 ( -5.418 2.058 -4.569) 7.381 7.771 ( 7.739 5.350 2.499) 9.734 8.004 ( -0.332 -2.213 1.214) 2.545 8.048 ( 3.117 0.928 1.213) 3.471 8.200 ( -7.796 3.369 -0.716) 8.523 8.261 ( -0.033 0.389 2.364) 2.396 8.321 ( 0.149 4.242 0.870) 4.333 8.420 ( 5.790 3.954 -2.900) 7.587 8.676 ( -0.761 -1.717 5.430) 5.745 8.763 ( 1.577 -5.513 -0.512) 5.757 8.897 ( -6.291 -4.056 5.196) 9.112 8.971 ( -6.619 -5.283 1.295) 8.567 9.078 ( 5.603 -6.333 -1.409) 8.572 9.137 ( 2.738 -1.123 -3.299) 4.432 9.200 ( 3.349 -0.076 4.747) 5.810 9.299 ( 3.555 0.258 -7.217) 8.049 9.459 ( -2.602 -2.769 2.695) 4.658 9.505 ( 0.550 -5.096 2.374) 5.648 9.712 ( -5.215 -3.040 1.467) 6.212 9.736 ( -1.107 -3.582 -0.243) 3.757 9.839 ( -2.335 -1.726 7.904) 8.420 9.866 ( -3.849 -1.286 2.763) 4.909 10.140 ( 3.128 3.265 1.470) 4.755 10.197 ( 1.749 3.690 -6.959) 8.068 10.257 ( -0.315 2.642 9.201) 9.578 10.420 ( 0.483 0.785 -2.188) 2.374 10.465 ( 5.775 2.038 -8.007) 10.081 10.561 ( 7.140 2.605 -3.161) 8.231 10.697 ( -1.802 -2.574 2.004) 3.727 10.735 ( -2.963 0.949 -4.144) 5.182 10.859 ( 3.664 -0.917 1.502) 4.065 10.906 ( 3.434 6.133 1.424) 7.172 10.947 ( 2.155 1.253 0.988) 2.681 10.993 ( -2.594 4.633 -5.864) 7.911 11.093 ( -7.938 0.009 4.371) 9.062 11.253 ( 3.098 0.252 1.920) 3.653 11.541 ( -14.189 -1.996 1.950) 14.461 11.582 ( -0.797 -2.031 3.790) 4.373 11.681 ( -2.031 -1.333 -7.752) 8.124 11.729 ( 2.243 0.972 3.972) 4.664 11.774 ( 3.486 -0.602 0.796) 3.626 11.889 ( 8.137 -2.913 -4.370) 9.684 11.917 ( -5.693 0.858 1.142) 5.869 11.997 ( -0.193 -1.558 -1.018) 1.871 12.097 ( 1.147 -4.639 1.516) 5.013 12.173 ( 1.204 2.926 -7.841) 8.455 12.348 ( -7.262 -3.400 1.950) 8.252 12.454 ( 1.920 -5.342 0.108) 5.677 12.515 ( -7.910 -5.337 3.193) 10.062 12.678 ( 2.578 -2.879 -5.180) 6.462 12.741 ( -5.191 -2.704 -0.217) 5.857 12.817 ( 0.221 -4.416 3.546) 5.668 12.970 ( -1.907 -1.414 2.026) 3.121 13.002 ( 0.128 -0.869 1.035) 1.357 13.141 ( -6.504 2.749 2.093) 7.365 13.179 ( 1.815 -5.013 0.703) 5.377 13.258 ( 1.607 -0.249 -0.276) 1.649 13.303 ( 1.724 -5.672 -3.705) 6.991 13.486 ( -3.768 2.277 0.970) 4.508 13.585 ( 0.189 2.938 -2.391) 3.793 13.611 ( -3.822 3.494 -3.248) 6.113 13.735 ( 0.528 -3.506 -6.103) 7.058 14.086 ( -2.805 5.879 1.786) 6.755 14.120 ( -3.978 7.218 -4.158) 9.231 14.304 ( -13.010 3.714 2.454) 13.750 14.438 ( -5.131 -4.358 -0.536) 6.754 14.509 ( 1.163 -0.483 6.328) 6.452 14.705 ( 8.826 -0.240 0.883) 8.873 14.803 ( -0.143 -2.987 -4.896) 5.737 14.976 ( 9.810 -1.587 -5.221) 11.225 15.125 ( -8.990 -2.326 -8.702) 12.726 15.235 ( 10.600 -4.727 3.938) 12.256 15.401 ( -0.840 -1.315 -1.508) 2.169 15.431 ( 3.325 -0.589 5.202) 6.202 15.576 ( -4.685 5.140 3.968) 8.007 15.696 ( -2.173 1.289 1.660) 3.023 15.809 ( 2.420 5.224 -1.970) 6.085 15.889 ( 5.120 1.924 -3.255) 6.365 16.436 ( 1.316 -3.040 10.647) 11.151 16.532 ( -0.049 -2.884 -5.771) 6.452 16.856 ( -0.678 -0.487 -0.883) 1.215 16.927 ( 6.741 -2.443 0.754) 7.209 17.109 ( -0.079 3.829 3.953) 5.504 17.213 ( 5.385 2.509 -3.075) 6.690 17.292 ( -0.403 0.221 0.722) 0.856 17.359 ( 4.340 -2.390 -0.008) 4.954 21.261 ( -1.666 0.296 -0.534) 1.774 21.281 ( -0.106 0.208 -1.468) 1.486 21.475 ( -4.825 -5.775 3.240) 8.193 21.604 ( 3.089 -9.024 -3.692) 10.227 22.255 ( -0.394 1.879 6.141) 6.434 22.320 ( -0.348 4.012 -4.133) 5.771 22.451 ( -5.415 -4.054 7.741) 10.280 22.625 ( 3.617 -3.627 -5.282) 7.358 22.987 ( -2.197 6.289 1.456) 6.819 23.051 ( 1.854 6.500 -2.131) 7.087 23.309 ( -2.590 12.342 3.497) 13.087 23.436 ( 7.054 19.982 -0.972) 21.213 23.600 ( -5.619 -9.110 -3.293) 11.198 23.648 ( 1.416 -7.096 -0.642) 7.265 24.035 ( -11.310 0.278 0.501) 11.324 24.256 ( 6.905 0.963 0.531) 6.992 24.394 ( 2.555 -1.163 0.617) 2.874 24.435 ( 2.191 -1.381 -1.610) 3.049 24.552 ( -6.163 -6.195 0.409) 8.748 24.763 ( 10.198 -12.800 -4.876) 17.077 25.278 ( -6.385 7.057 6.379) 11.457 25.521 ( 11.406 11.857 -2.463) 16.635 25.602 ( -12.589 -1.808 5.930) 14.033 25.948 ( 15.271 -1.522 -3.121) 15.661 27.277 ( -1.269 -0.225 0.795) 1.515 27.278 ( -2.195 -0.233 -0.822) 2.356 27.392 ( -2.773 -0.796 1.363) 3.191 27.442 ( 0.111 -2.124 -1.977) 2.904 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -21.289 9.197 6.307) 24.033 1.533 ( -18.863 11.810 8.216) 23.723 1.699 ( -7.778 1.183 -5.684) 9.706 1.855 ( -0.975 -3.093 0.537) 3.287 2.020 ( -1.221 0.078 0.840) 1.484 2.063 ( -4.592 -0.817 -0.155) 4.666 2.194 ( -2.103 -2.677 1.151) 3.594 2.236 ( -1.409 1.606 2.763) 3.493 2.342 ( -10.242 3.707 -0.790) 10.921 2.428 ( -6.057 -0.355 -3.853) 7.187 2.431 ( -2.228 -2.631 -5.235) 6.268 2.555 ( -1.735 1.613 -1.520) 2.815 2.581 ( -5.872 -3.149 8.693) 10.953 2.653 ( -2.686 -3.255 -2.112) 4.720 2.758 ( -7.115 -5.747 -0.611) 9.167 2.804 ( -1.884 -0.142 3.116) 3.644 2.874 ( 3.307 -1.393 0.635) 3.644 2.963 ( 2.230 2.457 2.127) 3.941 2.976 ( -2.109 -0.586 5.637) 6.047 3.012 ( 2.254 2.472 -1.872) 3.834 3.099 ( -3.185 2.026 -0.906) 3.882 3.147 ( -6.262 -1.639 0.336) 6.482 3.215 ( 0.304 -0.200 -0.291) 0.466 3.279 ( 3.793 -0.448 2.125) 4.371 3.312 ( 3.043 1.451 -2.468) 4.178 3.383 ( -6.944 7.949 0.154) 10.556 3.427 ( -5.332 6.323 2.389) 8.609 3.641 ( -5.235 -5.049 0.049) 7.273 3.691 ( -2.680 -0.143 1.991) 3.342 3.726 ( -2.343 -0.642 -6.231) 6.688 3.741 ( -4.969 5.815 1.081) 7.725 3.845 ( 2.278 -1.479 -0.188) 2.723 3.926 ( -3.135 -1.151 -1.590) 3.699 4.066 ( -4.803 2.116 -7.675) 9.298 4.112 ( -2.828 0.580 -0.581) 2.945 4.215 ( 1.578 -3.274 3.208) 4.848 4.289 ( 2.282 3.987 0.746) 4.654 4.371 ( 7.650 -0.344 -1.737) 7.852 4.460 ( 6.708 1.315 3.418) 7.643 4.545 ( 4.126 0.184 2.492) 4.824 4.645 ( 9.139 1.479 2.534) 9.598 4.705 ( 6.411 2.274 -0.614) 6.830 4.747 ( 7.076 -4.383 0.442) 8.335 4.799 ( 7.183 -1.343 -2.266) 7.651 5.045 ( 0.390 -2.467 -5.861) 6.371 5.173 ( 0.988 0.353 -3.478) 3.632 5.220 ( 1.469 -2.163 -6.112) 6.648 5.318 ( -3.215 -6.326 -0.123) 7.097 5.392 ( 1.582 2.060 2.262) 3.444 5.509 ( 3.553 0.811 -0.109) 3.646 5.513 ( -1.557 4.661 4.905) 6.943 5.625 ( -0.676 1.608 2.836) 3.329 5.928 ( -2.460 3.018 -2.380) 4.564 6.049 ( -5.988 0.379 -0.872) 6.063 6.121 ( -3.695 -0.451 1.859) 4.161 6.161 ( -3.611 -0.329 1.993) 4.138 6.388 ( 1.866 3.935 1.810) 4.716 6.516 ( 3.199 2.612 -2.237) 4.696 6.551 ( 1.172 -1.208 -3.067) 3.498 6.741 ( 2.520 -5.136 -2.979) 6.450 6.908 ( 1.561 1.097 -2.598) 3.223 6.928 ( 0.980 -2.783 -4.559) 5.431 6.992 ( 0.687 2.203 3.117) 3.878 7.149 ( 12.677 -0.508 0.802) 12.713 7.342 ( 2.161 5.995 -0.038) 6.373 7.515 ( 9.568 13.677 -1.903) 16.799 7.620 ( 3.662 1.136 -1.766) 4.221 7.927 ( 5.969 8.438 2.457) 10.623 8.014 ( -6.561 3.965 -2.937) 8.209 8.062 ( 1.896 -1.499 3.865) 4.559 8.124 ( 1.836 2.533 3.088) 4.395 8.299 ( 3.751 1.130 2.252) 4.518 8.317 ( -2.509 5.225 2.505) 6.314 8.478 ( -0.411 2.818 -2.129) 3.556 8.763 ( 3.895 -2.312 3.429) 5.681 8.784 ( -2.749 -6.464 4.725) 8.465 8.821 ( -3.917 -3.349 5.211) 7.329 8.904 ( 2.245 -3.368 2.298) 4.654 9.108 ( -0.582 -1.143 -3.488) 3.717 9.135 ( -1.513 2.012 -1.779) 3.083 9.232 ( -0.535 0.724 -7.377) 7.432 9.330 ( 3.010 -1.004 -9.403) 9.924 9.437 ( -1.231 -3.397 0.872) 3.717 9.523 ( -0.474 -2.824 1.326) 3.156 9.623 ( 0.131 -3.532 6.858) 7.715 9.720 ( 0.155 -3.593 1.520) 3.904 9.793 ( -4.227 -3.165 3.796) 6.503 9.879 ( -0.829 -3.969 9.195) 10.049 10.188 ( 0.442 6.001 1.999) 6.341 10.263 ( 6.179 1.925 0.785) 6.519 10.334 ( 1.804 2.222 5.207) 5.941 10.409 ( 0.940 -0.505 -6.511) 6.598 10.554 ( 4.462 0.456 -4.776) 6.552 10.624 ( -1.774 -2.163 -0.008) 2.797 10.687 ( -0.878 1.147 -3.192) 3.503 10.709 ( 7.239 -0.871 -2.070) 7.579 10.824 ( -5.897 3.982 -2.776) 7.638 10.935 ( 0.423 1.476 2.214) 2.694 11.008 ( -0.292 0.254 1.992) 2.029 11.024 ( 8.122 4.059 0.140) 9.081 11.105 ( 3.380 1.963 1.571) 4.212 11.242 ( -9.096 1.120 3.507) 9.813 11.330 ( -2.305 4.665 3.566) 6.308 11.454 ( -6.894 -0.680 -7.620) 10.299 11.624 ( -0.864 -6.581 -3.969) 7.734 11.718 ( -6.885 -3.253 -0.410) 7.626 11.789 ( -0.167 -2.412 -0.738) 2.528 11.866 ( -1.183 -3.200 -4.782) 5.874 11.919 ( 2.290 1.445 -2.968) 4.017 12.007 ( -1.966 -7.399 -2.083) 7.934 12.053 ( -0.792 -4.924 0.227) 4.992 12.134 ( -4.235 -1.000 -2.951) 5.258 12.209 ( -6.413 -1.902 2.287) 7.070 12.389 ( -2.999 1.972 3.770) 5.205 12.502 ( -2.248 -1.256 -0.139) 2.579 12.558 ( -8.420 4.278 -6.061) 11.222 12.670 ( -1.996 -6.680 -2.438) 7.385 12.725 ( -11.247 -4.253 3.724) 12.588 12.893 ( -10.215 -0.307 0.033) 10.219 12.988 ( -1.419 3.460 1.520) 4.037 13.029 ( -4.295 -0.088 5.458) 6.946 13.204 ( 0.404 -4.426 -2.852) 5.280 13.245 ( -4.582 -6.981 2.368) 8.679 13.298 ( -2.246 -3.839 -0.896) 4.537 13.413 ( -6.519 2.536 -2.979) 7.603 13.453 ( -7.478 0.773 -5.441) 9.280 13.550 ( 4.598 0.615 -9.696) 10.749 13.646 ( -5.711 -7.095 0.460) 9.120 13.961 ( -8.341 2.402 3.554) 9.379 14.037 ( -2.158 9.840 0.905) 10.115 14.182 ( -4.119 5.783 8.612) 11.162 14.389 ( 2.635 -3.908 -1.433) 4.927 14.546 ( -1.293 -0.667 2.227) 2.660 14.761 ( 2.596 -7.669 -7.116) 10.779 14.844 ( -2.227 2.425 -6.689) 7.455 14.922 ( -3.731 1.571 -3.858) 5.593 15.050 ( 0.643 0.894 1.006) 1.492 15.311 ( -0.645 -5.447 -1.266) 5.629 15.375 ( -1.531 -2.385 -0.542) 2.886 15.478 ( -6.130 -1.639 0.066) 6.345 15.661 ( 9.706 4.106 5.271) 11.783 15.783 ( 7.644 3.340 3.565) 9.071 15.829 ( 2.390 8.844 -2.461) 9.486 15.956 ( 5.649 3.227 -3.819) 7.544 16.489 ( 1.982 -3.173 0.230) 3.748 16.630 ( 6.455 -5.226 8.331) 11.764 16.900 ( 4.193 0.288 1.465) 4.451 17.098 ( 8.425 -2.745 2.234) 9.138 17.178 ( 4.738 1.270 3.034) 5.768 17.306 ( 5.666 1.629 -4.098) 7.180 17.371 ( 6.947 0.944 -0.055) 7.011 17.481 ( 7.043 -2.137 0.904) 7.415 21.196 ( -3.449 0.115 -1.933) 3.955 21.248 ( -1.806 0.298 -1.764) 2.542 21.373 ( -6.308 -6.597 1.318) 9.222 21.579 ( -2.880 -9.736 -6.820) 12.231 22.238 ( -1.591 0.900 -0.782) 1.988 22.322 ( -3.943 0.900 1.652) 4.369 22.359 ( -3.172 1.362 5.792) 6.743 22.649 ( 1.762 -2.583 -5.766) 6.560 22.948 ( -1.816 4.402 1.887) 5.122 23.093 ( 2.381 9.013 -1.010) 9.377 23.246 ( -2.626 4.619 -0.889) 5.387 23.420 ( -1.315 13.655 -13.408) 19.182 23.548 ( -2.177 -3.925 4.799) 6.571 23.732 ( -5.464 -0.404 4.513) 7.098 23.972 ( 11.043 1.259 9.404) 14.559 24.299 ( -2.340 -1.169 6.048) 6.589 24.398 ( -0.981 -1.137 -1.009) 1.809 24.493 ( 2.441 -0.804 -1.955) 3.229 24.601 ( 10.669 -0.865 0.424) 10.712 24.885 ( 3.639 -7.384 -6.550) 10.520 25.277 ( 2.954 -3.551 3.962) 6.086 25.431 ( -6.479 -2.047 5.187) 8.548 25.826 ( 16.052 14.221 5.627) 22.171 26.249 ( 15.762 0.426 -2.908) 16.033 27.206 ( -4.117 0.044 -0.433) 4.140 27.228 ( -3.822 -0.467 0.854) 3.944 27.311 ( -5.636 -0.580 0.677) 5.706 27.397 ( -3.091 -3.183 -3.223) 5.484 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -10.991 11.676 15.350) 22.198 1.268 ( -14.545 14.441 16.415) 26.259 1.517 ( -4.015 2.331 -9.817) 10.859 1.794 ( -6.246 7.514 -0.458) 9.782 1.970 ( -3.539 -2.574 -3.370) 5.524 1.981 ( -4.048 4.783 1.421) 6.426 2.097 ( -6.165 2.600 6.836) 9.566 2.183 ( -0.144 -1.989 1.599) 2.556 2.249 ( 0.206 2.469 1.847) 3.091 2.316 ( -1.459 -0.616 -0.785) 1.768 2.395 ( -1.979 -2.127 -0.936) 3.053 2.483 ( -3.532 0.931 -2.013) 4.171 2.516 ( -3.599 -6.765 0.880) 7.713 2.604 ( -3.938 -0.497 5.581) 6.848 2.637 ( -1.672 -3.586 0.812) 4.039 2.756 ( -5.241 0.945 3.166) 6.196 2.808 ( -8.849 3.826 1.601) 9.773 2.952 ( -0.836 -2.813 1.100) 3.134 3.008 ( 0.191 0.876 0.874) 1.253 3.053 ( 0.709 0.709 -0.281) 1.041 3.058 ( 0.902 -2.881 -1.122) 3.221 3.156 ( 2.711 0.203 2.594) 3.757 3.206 ( -0.335 1.435 -0.274) 1.498 3.270 ( -1.145 2.058 -0.685) 2.453 3.297 ( 0.255 4.126 0.711) 4.194 3.350 ( -3.397 7.202 -7.216) 10.746 3.473 ( 5.972 2.836 -1.528) 6.785 3.530 ( 0.743 -2.035 -2.722) 3.479 3.636 ( -2.608 1.883 -0.163) 3.221 3.679 ( 0.915 0.959 -1.008) 1.665 3.683 ( -1.947 -0.843 1.713) 2.727 3.813 ( -2.655 0.253 -3.836) 4.672 3.871 ( -1.737 -2.441 -5.694) 6.434 4.018 ( -4.540 2.350 0.680) 5.157 4.048 ( 1.835 -6.707 1.495) 7.112 4.258 ( 1.057 -6.942 -2.486) 7.449 4.297 ( -1.474 -1.772 4.660) 5.199 4.475 ( 2.237 1.641 -1.857) 3.339 4.591 ( 0.053 -1.879 2.637) 3.239 4.599 ( 5.137 0.847 1.388) 5.389 4.704 ( -0.335 0.926 1.173) 1.532 4.831 ( 3.550 -0.221 3.304) 4.854 4.888 ( 4.617 1.048 -0.906) 4.820 4.929 ( 5.594 -1.813 -1.832) 6.159 5.030 ( 0.774 0.313 -2.792) 2.914 5.162 ( -3.216 1.897 -4.627) 5.946 5.193 ( 3.087 0.053 -2.515) 3.982 5.311 ( 3.455 -6.668 -4.297) 8.652 5.426 ( -0.713 2.746 1.597) 3.256 5.504 ( -0.261 3.815 4.026) 5.553 5.547 ( -3.304 2.221 -0.196) 3.986 5.594 ( -0.331 3.263 -0.171) 3.284 5.860 ( -2.573 -1.472 0.095) 2.966 5.965 ( -1.472 2.446 -0.612) 2.920 6.113 ( 0.753 -2.077 4.597) 5.101 6.181 ( 3.645 -2.090 3.399) 5.405 6.373 ( -3.259 1.521 2.374) 4.309 6.535 ( 1.982 2.722 -3.462) 4.829 6.598 ( 2.104 -4.612 -0.372) 5.083 6.671 ( -3.537 -2.575 -2.861) 5.227 6.928 ( 3.918 -1.175 -3.501) 5.384 7.052 ( 6.241 -2.765 -4.119) 7.972 7.073 ( 9.905 -2.596 -2.742) 10.600 7.292 ( -0.098 -1.743 -2.424) 2.987 7.494 ( 8.788 5.000 5.939) 11.726 7.678 ( 6.064 11.604 -1.688) 13.201 7.694 ( -0.345 3.131 0.245) 3.160 7.925 ( 0.649 -0.544 1.683) 1.884 7.991 ( -0.215 9.262 0.177) 9.267 8.160 ( 0.331 5.776 2.600) 6.343 8.208 ( 6.497 0.154 5.349) 8.417 8.279 ( 2.674 -0.090 -0.127) 2.678 8.387 ( -2.355 -0.549 -1.272) 2.733 8.468 ( 8.341 7.311 1.826) 11.241 8.694 ( -3.962 -1.669 -2.472) 4.959 8.809 ( -1.528 -1.525 4.510) 5.000 8.852 ( -2.218 -1.017 -1.351) 2.789 8.931 ( -4.020 -1.326 6.914) 8.107 9.034 ( -5.009 3.369 -3.202) 6.833 9.093 ( 0.717 8.387 -7.257) 11.114 9.172 ( 2.926 1.519 -6.459) 7.251 9.296 ( -1.015 -0.438 -4.772) 4.898 9.372 ( -1.474 -1.043 0.496) 1.873 9.556 ( -1.630 -7.214 6.283) 9.704 9.760 ( 2.774 -11.672 6.510) 13.650 9.786 ( 4.094 -1.936 4.298) 6.244 9.813 ( 5.515 0.946 3.388) 6.541 9.913 ( 0.906 -1.565 6.485) 6.732 10.201 ( 0.402 5.800 -0.990) 5.898 10.305 ( -7.374 2.968 0.398) 7.959 10.365 ( 0.196 8.168 2.394) 8.514 10.404 ( 3.892 -6.108 -1.516) 7.400 10.525 ( -2.183 -3.334 0.110) 3.986 10.566 ( -1.286 -0.286 0.903) 1.597 10.721 ( -1.280 -2.976 1.688) 3.653 10.764 ( 0.386 -1.644 -4.674) 4.970 10.837 ( 8.346 1.686 -6.031) 10.434 10.951 ( 2.303 2.556 -0.712) 3.514 11.015 ( 4.090 -1.720 0.006) 4.437 11.093 ( -1.728 3.004 -4.019) 5.307 11.180 ( -1.136 1.370 0.813) 1.957 11.187 ( -0.989 1.180 2.872) 3.259 11.275 ( -3.517 -1.635 -5.477) 6.712 11.312 ( -0.168 4.322 -1.998) 4.765 11.529 ( -4.774 -9.104 -7.529) 12.742 11.609 ( -3.278 -5.959 -1.237) 6.913 11.701 ( -6.869 -5.850 3.164) 9.562 11.777 ( -3.481 -7.912 -2.920) 9.124 11.904 ( -7.330 -2.306 5.665) 9.547 11.967 ( -5.148 1.500 3.053) 6.171 12.014 ( 5.262 -2.744 -9.142) 10.899 12.110 ( 4.490 -3.068 2.711) 6.077 12.161 ( -0.295 -0.901 -1.536) 1.805 12.310 ( -10.735 3.002 -2.059) 11.335 12.367 ( -9.972 -0.412 -3.443) 10.558 12.406 ( 2.697 4.128 -1.760) 5.236 12.499 ( -10.490 -4.065 0.537) 11.263 12.559 ( -8.898 -0.331 2.711) 9.308 12.663 ( -8.612 -1.614 1.036) 8.823 12.901 ( -10.360 -0.371 1.338) 10.453 12.952 ( -15.068 0.785 -0.596) 15.101 13.021 ( -5.221 2.183 -0.774) 5.711 13.118 ( -0.972 -0.085 -3.631) 3.760 13.252 ( 1.767 -0.670 -5.290) 5.617 13.313 ( 0.086 -3.411 3.244) 4.708 13.428 ( -0.435 -2.950 -2.050) 3.619 13.533 ( -1.242 -8.784 -4.352) 9.881 13.553 ( -2.031 -0.811 -2.720) 3.490 13.848 ( -6.531 5.307 8.326) 11.838 14.038 ( 0.093 8.485 -0.100) 8.486 14.231 ( 2.530 2.015 11.233) 11.690 14.454 ( 3.631 1.064 -2.158) 4.356 14.544 ( 2.191 -0.786 -4.122) 4.734 14.708 ( -2.057 7.004 -6.161) 9.552 14.769 ( 2.285 -4.578 -4.890) 7.078 14.872 ( -1.929 4.690 0.378) 5.085 15.015 ( -6.004 -3.725 5.907) 9.210 15.203 ( -4.925 3.287 -2.393) 6.387 15.338 ( -4.089 -3.684 1.934) 5.834 15.458 ( 3.113 -9.438 -3.339) 10.484 15.724 ( 0.849 8.914 -1.544) 9.087 15.874 ( 0.675 6.692 -2.366) 7.130 15.982 ( 6.831 3.778 6.298) 10.030 16.103 ( 8.164 1.764 -1.176) 8.435 16.567 ( 3.730 -0.616 4.306) 5.730 16.767 ( 3.278 -2.739 -0.600) 4.313 17.038 ( 5.680 -1.580 9.202) 10.928 17.272 ( 6.452 -1.922 2.490) 7.178 17.314 ( 5.446 -5.593 1.387) 7.928 17.380 ( 4.738 1.313 -4.806) 6.875 17.518 ( 6.258 0.066 0.947) 6.330 17.616 ( 5.388 -1.039 -1.230) 5.624 21.118 ( -2.131 0.454 -2.767) 3.522 21.194 ( -4.160 -3.441 -1.177) 5.525 21.253 ( -3.951 -4.507 -0.470) 6.012 21.414 ( -7.605 -3.910 -5.169) 9.992 22.199 ( -3.163 0.700 1.851) 3.731 22.225 ( -2.399 0.463 -0.150) 2.448 22.383 ( -0.953 4.643 7.282) 8.688 22.622 ( 0.422 -0.481 -8.053) 8.079 22.949 ( 0.120 5.008 3.664) 6.206 23.127 ( 2.094 9.568 -1.895) 9.976 23.210 ( -1.555 0.191 0.310) 1.597 23.299 ( -2.463 12.291 -10.526) 16.369 23.521 ( -1.928 -1.675 2.541) 3.603 23.622 ( -5.532 -0.786 2.750) 6.228 24.274 ( 5.143 -5.667 7.535) 10.740 24.320 ( 4.494 -2.533 2.238) 5.623 24.460 ( 3.892 -0.147 2.834) 4.816 24.565 ( 5.481 0.151 0.445) 5.501 24.764 ( 4.756 -1.724 -3.232) 6.004 24.869 ( 0.848 -5.959 -8.893) 10.739 25.340 ( 3.009 -0.263 6.816) 7.455 25.483 ( 5.585 -7.304 2.158) 9.445 26.203 ( 15.356 11.312 10.051) 21.559 26.518 ( 11.687 3.104 -2.817) 12.416 27.127 ( -3.011 0.107 0.023) 3.013 27.147 ( -3.991 -0.256 0.369) 4.016 27.194 ( -5.249 -0.420 -0.398) 5.281 27.272 ( -6.960 -2.841 -3.578) 8.325 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -1.145 11.822 8.447) 14.575 1.495 ( 0.798 4.023 -1.504) 4.368 1.528 ( 1.670 8.297 4.957) 9.808 1.691 ( -1.015 0.072 -6.153) 6.237 1.834 ( 0.778 -4.734 4.177) 6.361 1.904 ( 1.475 -8.052 -1.723) 8.365 2.172 ( 0.154 -1.600 0.599) 1.716 2.197 ( 1.386 -7.278 4.622) 8.732 2.237 ( -0.347 1.959 -4.068) 4.529 2.297 ( 1.300 -4.733 -3.606) 6.091 2.444 ( 0.130 3.035 0.119) 3.041 2.465 ( -0.711 3.691 -1.642) 4.102 2.553 ( 2.426 11.825 2.284) 12.285 2.596 ( -1.161 7.527 -1.303) 7.726 2.684 ( -1.279 -1.845 1.286) 2.587 2.688 ( -0.625 0.663 0.759) 1.185 2.794 ( -1.492 3.293 10.106) 10.733 2.887 ( 2.516 -4.690 -0.283) 5.330 3.000 ( 0.082 2.140 1.702) 2.736 3.065 ( -0.938 1.132 0.233) 1.488 3.114 ( -0.355 2.978 2.451) 3.873 3.163 ( -1.620 5.526 5.961) 8.288 3.196 ( 0.707 -4.600 -4.200) 6.269 3.342 ( 1.924 7.268 1.008) 7.586 3.350 ( -2.076 7.602 -2.125) 8.161 3.424 ( -0.859 1.281 -5.270) 5.491 3.488 ( 0.492 -4.783 -0.168) 4.811 3.516 ( 0.377 -6.334 -2.493) 6.817 3.550 ( 1.001 -7.198 3.698) 8.154 3.650 ( -4.525 1.279 -0.954) 4.798 3.735 ( 3.021 -0.508 0.296) 3.077 3.766 ( -0.124 0.529 -1.159) 1.280 3.799 ( 0.234 -2.612 2.779) 3.821 3.835 ( -2.191 -4.651 -0.567) 5.172 4.057 ( 2.231 0.739 -0.979) 2.546 4.091 ( -0.315 -3.727 -3.072) 4.840 4.331 ( -0.144 2.609 4.418) 5.133 4.411 ( -1.526 -4.534 -3.453) 5.900 4.640 ( 0.724 3.426 1.486) 3.804 4.675 ( -0.532 1.761 -1.699) 2.504 4.731 ( 1.018 -1.329 3.167) 3.582 4.784 ( 0.699 -5.135 -1.819) 5.493 4.954 ( 1.356 1.722 1.565) 2.694 4.978 ( -0.709 0.137 1.546) 1.706 5.076 ( -0.226 1.980 -2.863) 3.489 5.114 ( 0.440 -1.555 -5.280) 5.522 5.258 ( 1.787 2.193 -0.017) 2.829 5.298 ( 2.307 -1.262 -3.447) 4.336 5.444 ( -3.181 2.874 1.542) 4.556 5.487 ( -2.329 -0.884 -1.909) 3.139 5.613 ( 1.514 2.618 2.523) 3.939 5.635 ( 1.451 0.641 0.404) 1.637 5.884 ( 0.573 2.340 2.854) 3.735 5.930 ( 0.591 -0.783 -1.453) 1.753 6.156 ( 1.082 -1.532 2.408) 3.053 6.193 ( 1.076 -3.576 -0.950) 3.853 6.400 ( -1.546 4.066 4.962) 6.598 6.486 ( -0.734 -2.105 -0.619) 2.313 6.534 ( -1.184 -1.808 -2.437) 3.258 6.571 ( 0.624 -3.485 -3.082) 4.694 6.981 ( -1.837 1.673 0.393) 2.515 7.026 ( -2.828 -2.161 -3.548) 5.025 7.135 ( 0.981 0.170 -0.782) 1.266 7.178 ( 2.864 -3.650 -4.386) 6.385 7.690 ( -4.610 4.428 3.975) 7.528 7.719 ( 2.268 4.095 1.992) 5.087 7.855 ( -0.284 -1.644 1.495) 2.240 7.921 ( 0.404 -5.474 -3.264) 6.386 8.080 ( 3.368 4.922 3.906) 7.129 8.138 ( -0.689 -0.496 0.610) 1.046 8.279 ( -4.008 5.342 1.548) 6.856 8.340 ( -4.793 -0.371 -2.919) 5.624 8.661 ( 2.924 5.301 8.706) 10.604 8.711 ( 3.309 1.288 9.333) 9.986 8.734 ( -6.180 4.200 6.043) 9.610 8.772 ( 0.939 3.339 2.343) 4.186 8.835 ( 2.296 1.890 1.425) 3.297 8.878 ( 0.375 -2.207 0.599) 2.317 8.955 ( -7.557 4.221 -7.991) 11.781 9.026 ( -10.219 -0.162 -8.714) 13.431 9.215 ( -3.000 3.570 3.584) 5.882 9.314 ( 12.653 -3.849 -4.478) 13.963 9.420 ( 0.993 -1.187 -2.276) 2.752 9.441 ( 5.769 -2.086 -2.991) 6.825 9.680 ( 1.398 -3.691 0.554) 3.986 9.746 ( 0.187 -8.079 -5.341) 9.687 9.976 ( -1.112 2.276 2.913) 3.860 10.006 ( 6.987 -0.796 -0.033) 7.032 10.216 ( -2.395 2.603 5.045) 6.162 10.255 ( 2.030 0.362 1.736) 2.695 10.340 ( -1.696 3.042 1.040) 3.634 10.398 ( -3.775 -0.231 -2.977) 4.813 10.530 ( 1.904 -0.962 7.579) 7.874 10.579 ( -0.277 -2.866 8.655) 9.121 10.687 ( -2.617 0.961 -5.223) 5.921 10.731 ( -1.232 -3.156 -6.030) 6.916 10.907 ( 1.626 4.160 2.998) 5.379 10.982 ( -2.071 3.498 -1.505) 4.335 11.020 ( 1.210 -0.390 0.405) 1.334 11.085 ( -1.612 1.128 -2.465) 3.154 11.114 ( -0.190 -1.599 -1.477) 2.185 11.160 ( -3.239 -5.858 -3.003) 7.336 11.186 ( 5.568 0.037 -2.656) 6.169 11.235 ( -4.041 -4.826 -3.345) 7.128 11.332 ( 4.928 0.593 2.555) 5.582 11.436 ( 2.322 -2.063 -3.696) 4.828 11.532 ( -7.083 -0.797 1.530) 7.290 11.612 ( -4.275 -4.099 -6.521) 8.809 11.913 ( -0.372 3.409 6.014) 6.924 11.998 ( 0.052 -3.080 -1.341) 3.360 12.038 ( 0.065 3.021 4.057) 5.059 12.075 ( 4.242 -1.201 2.706) 5.173 12.174 ( -0.164 1.737 -1.708) 2.441 12.203 ( -1.607 -0.234 -1.653) 2.317 12.223 ( 3.297 -0.739 0.432) 3.407 12.280 ( -2.225 -5.110 -2.846) 6.258 12.485 ( 2.856 -0.717 -1.136) 3.156 12.494 ( 2.732 -1.367 -2.552) 3.981 12.617 ( 3.074 0.344 0.330) 3.111 12.640 ( -0.828 -1.534 -1.832) 2.530 12.964 ( -1.256 5.824 2.204) 6.353 13.015 ( -0.759 1.182 -2.645) 2.995 13.121 ( -0.202 1.014 0.348) 1.091 13.161 ( -1.046 -2.546 -3.241) 4.253 13.340 ( 0.666 -0.784 -0.742) 1.268 13.353 ( 0.885 -2.335 -0.680) 2.588 13.411 ( 1.399 -1.367 -0.668) 2.067 13.425 ( -3.055 -1.966 -1.912) 4.105 14.047 ( 1.866 12.283 6.920) 14.221 14.166 ( -1.760 8.042 -4.520) 9.391 14.291 ( 5.030 -9.995 7.153) 13.281 14.360 ( -3.839 -10.092 -0.888) 10.834 14.694 ( 4.526 5.064 1.301) 6.915 14.733 ( -1.023 2.292 0.289) 2.526 14.810 ( -1.499 3.154 -0.230) 3.499 14.858 ( 0.315 -0.495 -2.909) 2.967 15.052 ( 2.726 6.591 1.795) 7.355 15.128 ( -3.368 2.929 -4.829) 6.576 15.230 ( -0.804 -4.920 0.493) 5.009 15.256 ( 0.205 -8.864 -2.675) 9.261 15.933 ( 0.684 5.591 1.551) 5.842 15.957 ( -2.158 4.327 -0.256) 4.842 16.108 ( -0.659 1.039 1.966) 2.320 16.163 ( 1.302 -3.192 -2.842) 4.468 16.709 ( -0.202 5.078 8.113) 9.573 16.794 ( 1.401 -1.659 0.325) 2.196 17.121 ( 0.439 -0.841 4.953) 5.043 17.188 ( -0.565 -6.221 -1.399) 6.401 17.364 ( -0.229 0.160 2.063) 2.082 17.387 ( 0.018 -1.942 0.050) 1.943 17.615 ( 0.212 1.501 -0.886) 1.756 17.638 ( -0.348 -0.736 -2.705) 2.825 21.074 ( -0.527 1.542 0.884) 1.853 21.099 ( 0.764 -0.426 -1.763) 1.968 21.218 ( 0.223 -1.016 0.627) 1.214 21.239 ( -1.577 -2.520 -1.534) 3.345 22.184 ( -1.940 1.273 3.265) 4.005 22.203 ( -0.630 -0.697 1.801) 2.031 22.511 ( 0.566 4.663 2.214) 5.193 22.577 ( 1.240 -1.774 -3.928) 4.485 23.123 ( 2.716 3.715 3.319) 5.674 23.165 ( -0.232 -0.746 -0.804) 1.121 23.329 ( -0.221 7.155 0.149) 7.159 23.366 ( -2.244 3.822 -3.437) 5.609 23.532 ( 1.058 1.630 3.607) 4.097 23.565 ( -1.067 1.674 -0.008) 1.985 24.237 ( 1.136 -5.659 1.512) 5.966 24.285 ( -0.704 -7.132 -2.521) 7.597 24.528 ( 2.117 2.079 3.389) 4.504 24.594 ( 2.550 -4.691 1.777) 5.627 24.682 ( -2.674 -0.277 -9.983) 10.338 24.698 ( -3.051 -1.376 -6.528) 7.335 25.444 ( 1.319 -0.866 2.985) 3.377 25.457 ( 0.299 -2.375 1.606) 2.883 26.585 ( 0.414 5.369 4.403) 6.956 26.661 ( 1.215 -1.806 -3.432) 4.064 27.103 ( -0.133 0.099 0.449) 0.478 27.106 ( -0.144 -0.137 0.387) 0.435 27.125 ( -0.357 0.503 -0.072) 0.621 27.135 ( -0.050 -0.415 -0.938) 1.027 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 7.892 10.304 5.668) 14.163 1.530 ( 6.273 4.011 -6.311) 9.761 1.702 ( 8.424 3.214 7.000) 11.415 1.758 ( 8.454 0.019 -4.958) 9.800 1.918 ( 7.023 -0.236 -2.469) 7.448 1.959 ( 5.647 -0.461 -2.104) 6.044 2.148 ( -2.380 -0.439 -1.092) 2.655 2.182 ( -2.329 -0.472 0.990) 2.575 2.224 ( -0.573 -7.221 1.897) 7.488 2.263 ( -0.318 -8.210 -3.556) 8.952 2.427 ( -0.340 1.282 -1.208) 1.794 2.446 ( -1.720 -1.202 0.657) 2.199 2.558 ( 0.203 9.650 -0.744) 9.681 2.598 ( 1.288 3.698 -0.768) 3.990 2.710 ( 3.305 1.347 1.351) 3.816 2.822 ( 5.467 -5.188 1.018) 7.605 2.856 ( 2.427 2.997 2.637) 4.672 2.943 ( 2.958 -2.573 -1.930) 4.370 2.996 ( -0.292 2.286 -0.818) 2.445 3.063 ( 1.715 3.557 2.674) 4.769 3.089 ( -3.310 -4.577 -0.094) 5.649 3.163 ( -1.798 -4.318 0.174) 4.680 3.295 ( 6.674 15.421 17.634) 24.357 3.326 ( 2.488 8.936 -4.878) 10.480 3.371 ( -0.052 6.140 -3.010) 6.838 3.417 ( 4.111 5.955 -6.180) 9.516 3.470 ( 1.037 -4.817 -2.338) 5.453 3.502 ( -4.787 -3.681 0.421) 6.054 3.576 ( 1.610 -0.555 0.378) 1.744 3.647 ( 3.173 -6.085 5.289) 8.664 3.693 ( -1.656 -0.200 2.823) 3.279 3.747 ( 1.878 -5.236 -3.054) 6.346 3.824 ( 1.938 2.771 -0.656) 3.445 3.911 ( 2.532 -5.960 0.895) 6.537 4.096 ( 2.905 0.645 -3.366) 4.493 4.117 ( 3.692 -1.740 -0.602) 4.125 4.350 ( -1.116 -1.691 2.296) 3.062 4.359 ( -1.227 -1.833 2.400) 3.260 4.610 ( -4.200 4.171 -1.456) 6.096 4.668 ( -1.387 2.348 -0.233) 2.737 4.736 ( -3.041 -4.022 0.800) 5.105 4.742 ( -3.268 -5.301 -1.816) 6.487 4.913 ( -5.077 2.337 -1.072) 5.692 4.963 ( -2.617 -0.924 -0.265) 2.788 5.085 ( 2.086 2.441 -1.898) 3.730 5.099 ( 0.591 2.337 -2.275) 3.314 5.182 ( -5.059 -1.233 -1.159) 5.334 5.218 ( -6.112 -2.527 -2.900) 7.222 5.479 ( 3.217 2.836 2.652) 5.042 5.515 ( 3.027 -0.687 0.732) 3.189 5.656 ( 1.423 2.300 -0.187) 2.711 5.658 ( 0.476 1.946 -1.300) 2.388 5.919 ( 3.643 3.348 -1.369) 5.134 5.981 ( 5.060 -1.519 -0.961) 5.369 6.139 ( -1.992 -0.052 -0.408) 2.034 6.179 ( -0.090 -4.230 -4.357) 6.074 6.419 ( -1.546 1.412 6.114) 6.462 6.469 ( -0.742 0.882 -0.505) 1.258 6.509 ( -0.006 -2.789 3.239) 4.274 6.564 ( 0.228 -3.389 -1.726) 3.810 6.893 ( -5.158 0.410 2.294) 5.660 6.907 ( -4.630 -0.566 0.329) 4.676 7.125 ( -1.811 3.924 -1.899) 4.721 7.205 ( -1.935 -4.197 -0.935) 4.715 7.664 ( -2.278 4.264 -0.294) 4.843 7.721 ( -1.585 0.587 1.641) 2.356 7.878 ( 0.338 6.674 0.391) 6.694 7.940 ( -3.281 -1.555 2.617) 4.476 8.000 ( -3.428 0.612 -0.110) 3.484 8.112 ( -6.084 -7.892 -1.039) 10.019 8.228 ( 2.218 7.350 5.563) 9.481 8.324 ( 0.255 -1.796 3.924) 4.323 8.499 ( -9.388 11.889 0.377) 15.153 8.644 ( -6.086 0.543 0.630) 6.142 8.725 ( -4.020 3.728 0.189) 5.486 8.807 ( 1.016 3.439 4.332) 5.623 8.820 ( -0.798 -2.547 -4.146) 4.931 8.893 ( -0.001 -0.296 0.860) 0.910 8.941 ( 0.519 -2.210 11.365) 11.589 8.973 ( 3.396 -2.006 5.662) 6.901 9.209 ( -3.218 6.529 -0.629) 7.306 9.307 ( -7.268 -1.524 -2.038) 7.700 9.459 ( 2.294 4.678 -4.967) 7.198 9.545 ( 2.460 -3.705 -4.601) 6.399 9.676 ( -2.677 -6.305 -4.024) 7.944 9.721 ( -0.030 -8.216 0.096) 8.217 9.909 ( 0.052 1.095 -4.753) 4.878 9.952 ( -2.333 -3.880 -3.934) 5.998 10.249 ( -0.579 1.459 -0.069) 1.572 10.298 ( 3.580 -0.528 -1.740) 4.015 10.421 ( 5.789 7.541 -1.799) 9.675 10.445 ( 0.863 2.962 5.553) 6.353 10.523 ( -2.345 3.250 2.136) 4.541 10.603 ( 1.027 1.683 2.112) 2.889 10.668 ( -2.899 -6.132 -1.975) 7.065 10.764 ( 0.266 -3.621 1.637) 3.983 10.861 ( -3.006 3.382 0.777) 4.591 10.886 ( 3.969 -5.422 2.262) 7.090 10.952 ( 0.036 2.198 -0.529) 2.261 11.065 ( -3.181 -3.938 -1.285) 5.223 11.161 ( 2.589 7.655 5.587) 9.824 11.184 ( 5.620 1.752 2.750) 6.498 11.274 ( 1.293 -4.588 0.446) 4.788 11.322 ( -1.791 -4.636 -4.975) 7.032 11.409 ( 4.090 -1.400 1.058) 4.450 11.445 ( 7.453 -3.428 -2.272) 8.513 11.493 ( 3.694 5.014 2.790) 6.825 11.650 ( 4.808 -7.697 0.743) 9.106 11.908 ( 2.446 2.468 3.855) 5.190 11.951 ( 2.776 -2.199 -1.804) 3.974 12.016 ( -5.990 1.522 -1.753) 6.424 12.077 ( -8.130 -3.543 -1.840) 9.058 12.228 ( 3.452 0.696 -3.687) 5.098 12.262 ( 4.114 -1.969 1.790) 4.900 12.323 ( 11.737 0.353 -0.325) 11.747 12.368 ( 11.362 -3.902 1.019) 12.057 12.524 ( 4.839 3.895 -3.916) 7.343 12.617 ( 9.909 -5.246 -4.055) 11.923 12.755 ( 7.948 4.264 -5.651) 10.644 12.836 ( 13.917 -3.868 -2.022) 14.585 13.005 ( 4.833 2.716 4.302) 7.017 13.037 ( 4.952 0.023 3.122) 5.854 13.084 ( -0.979 2.165 -0.086) 2.378 13.139 ( -1.046 -3.435 0.362) 3.608 13.344 ( 0.701 0.094 -0.728) 1.015 13.373 ( 2.213 -2.492 -3.651) 4.944 13.408 ( 1.825 2.216 0.599) 2.932 13.463 ( 2.611 -3.160 0.751) 4.168 14.043 ( -1.731 6.661 -1.028) 6.958 14.177 ( -0.686 0.950 1.945) 2.271 14.266 ( 0.208 -2.002 -2.353) 3.096 14.420 ( 3.843 -9.823 2.636) 10.872 14.612 ( -5.783 6.598 -4.039) 9.659 14.677 ( -5.706 -0.626 -0.959) 5.819 14.816 ( 3.737 10.951 -0.412) 11.579 14.979 ( 4.342 -5.384 -2.078) 7.222 15.077 ( 2.442 6.628 -1.912) 7.318 15.172 ( 6.680 1.709 3.793) 7.870 15.217 ( -2.081 -6.510 0.832) 6.885 15.265 ( 3.101 -5.880 -0.105) 6.648 15.857 ( -5.946 5.886 1.367) 8.477 15.927 ( -4.710 -0.105 3.213) 5.702 16.054 ( -3.968 4.388 -0.098) 5.917 16.136 ( -3.538 -2.414 -2.456) 4.937 16.672 ( -6.594 4.729 2.785) 8.579 16.753 ( -4.033 -1.616 -2.368) 4.948 17.094 ( -5.212 -1.838 -0.014) 5.526 17.138 ( -3.505 -4.610 1.105) 5.896 17.323 ( -4.583 0.869 2.294) 5.198 17.348 ( -3.340 -1.324 -0.937) 3.713 17.544 ( -6.502 0.766 -0.543) 6.570 17.558 ( -5.598 -0.673 -0.387) 5.652 21.105 ( 3.046 1.878 0.186) 3.583 21.142 ( 4.124 -1.687 -1.129) 4.597 21.218 ( 1.092 1.016 0.704) 1.649 21.281 ( 3.647 -4.323 1.545) 5.863 22.183 ( -0.529 2.021 3.927) 4.448 22.221 ( 0.786 -1.689 2.911) 3.456 22.549 ( 2.030 3.561 0.972) 4.213 22.584 ( 1.981 0.162 -5.184) 5.552 23.123 ( -1.347 4.408 -3.311) 5.675 23.187 ( 1.727 -1.709 -0.640) 2.513 23.328 ( -0.342 7.568 -0.408) 7.587 23.352 ( 0.903 5.688 3.674) 6.831 23.551 ( 0.934 3.675 0.625) 3.843 23.607 ( 4.016 -1.407 1.606) 4.548 24.207 ( -5.018 -6.926 -3.943) 9.418 24.243 ( -2.059 -9.185 2.770) 9.813 24.539 ( -3.436 0.414 -4.809) 5.925 24.558 ( -3.921 -2.214 -3.954) 5.992 24.627 ( 1.142 1.363 2.571) 3.126 24.661 ( 0.566 -1.970 2.828) 3.493 25.409 ( -3.916 -0.072 -0.407) 3.938 25.430 ( -2.400 -1.961 0.185) 3.105 26.467 ( -12.814 4.795 0.270) 13.684 26.517 ( -13.023 0.042 -1.450) 13.104 27.137 ( 3.100 0.488 -0.334) 3.156 27.146 ( 3.943 -0.481 -0.293) 3.983 27.182 ( 5.459 0.049 0.266) 5.465 27.198 ( 5.059 -1.442 0.390) 5.275 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 10.971 5.266 -0.502) 12.180 1.693 ( 11.208 6.754 -1.439) 13.165 1.820 ( 3.359 -0.601 -3.212) 4.687 1.887 ( 5.412 -2.703 -0.691) 6.089 2.009 ( 1.138 2.672 -1.252) 3.163 2.090 ( -1.151 -4.734 0.044) 4.873 2.097 ( 8.604 8.323 -4.147) 12.669 2.236 ( 5.659 -0.646 5.162) 7.687 2.268 ( 2.875 -0.349 3.757) 4.744 2.338 ( 6.310 -7.885 0.602) 10.117 2.389 ( -1.189 -0.769 0.313) 1.450 2.463 ( 4.070 -8.416 0.630) 9.370 2.591 ( 3.858 3.283 0.189) 5.070 2.626 ( 2.131 1.540 -0.678) 2.715 2.738 ( -1.400 3.161 -2.541) 4.290 2.802 ( -7.335 0.044 3.657) 8.196 2.818 ( -2.869 -4.143 -2.690) 5.713 2.867 ( -9.701 -4.605 2.876) 11.117 3.089 ( 1.684 2.807 -1.186) 3.482 3.110 ( 1.841 4.188 2.627) 5.276 3.166 ( 12.521 -0.154 -0.983) 12.561 3.201 ( 1.980 0.352 1.768) 2.678 3.274 ( -2.517 0.321 -2.135) 3.316 3.304 ( -6.821 -1.352 -2.530) 7.400 3.398 ( 5.133 5.913 -1.418) 7.957 3.487 ( 4.200 0.957 -2.290) 4.878 3.560 ( 8.902 1.781 -2.003) 9.297 3.602 ( 5.371 2.606 6.004) 8.467 3.630 ( 5.121 4.053 1.592) 6.722 3.724 ( 5.093 4.146 -4.293) 7.846 3.754 ( -0.199 -3.149 4.556) 5.542 3.849 ( 8.362 -4.093 -2.378) 9.609 3.856 ( 3.422 4.741 4.044) 7.109 3.953 ( 2.678 -4.164 1.815) 5.273 4.147 ( 2.756 2.690 -0.038) 3.851 4.187 ( 3.837 -1.397 -0.432) 4.106 4.321 ( -5.409 1.123 3.692) 6.644 4.378 ( 0.818 -3.215 4.748) 5.792 4.468 ( -7.099 3.588 -2.091) 8.224 4.575 ( -6.785 2.633 -1.215) 7.379 4.622 ( -8.229 -2.575 -0.107) 8.623 4.646 ( -4.356 -9.966 -2.699) 11.207 4.797 ( -6.142 4.696 -1.326) 7.844 4.863 ( -6.088 -0.710 -3.307) 6.965 4.974 ( -4.539 2.492 -0.964) 5.268 5.049 ( -5.260 -4.270 1.122) 6.867 5.157 ( 1.141 3.116 0.695) 3.391 5.220 ( 3.946 -3.722 -0.722) 5.472 5.478 ( -4.275 1.579 -0.800) 4.627 5.498 ( -4.458 -0.406 1.344) 4.674 5.666 ( 1.594 3.370 -3.212) 4.921 5.702 ( 2.609 0.085 -2.130) 3.369 5.987 ( 1.952 4.769 0.873) 5.227 6.072 ( 2.773 -1.821 0.068) 3.318 6.145 ( 4.385 1.281 -3.173) 5.562 6.205 ( 6.804 -3.332 -6.257) 9.826 6.420 ( -1.642 1.838 4.074) 4.762 6.453 ( -0.721 -0.255 4.051) 4.123 6.549 ( -0.380 -0.768 4.063) 4.153 6.558 ( -1.221 -1.674 1.064) 2.329 6.852 ( 0.722 1.065 1.485) 1.965 6.870 ( 0.507 -0.428 1.150) 1.328 7.076 ( -1.194 2.152 -0.891) 2.617 7.112 ( -5.411 -1.348 0.325) 5.586 7.540 ( -5.445 6.786 -3.250) 9.288 7.633 ( -5.464 -1.510 -1.619) 5.896 7.747 ( -6.613 12.388 0.872) 14.070 7.945 ( -4.016 -7.202 0.184) 8.248 8.009 ( 4.975 6.739 5.366) 9.948 8.159 ( 1.001 -4.914 6.326) 8.073 8.289 ( 2.048 1.013 -0.312) 2.306 8.311 ( -2.114 4.716 -0.422) 5.185 8.359 ( -4.539 5.972 -0.714) 7.535 8.524 ( -4.408 -1.417 -3.107) 5.576 8.692 ( -1.423 0.023 1.166) 1.840 8.745 ( -2.811 -5.056 -2.639) 6.358 8.870 ( -0.091 0.510 -0.950) 1.082 8.886 ( -1.202 -0.034 0.287) 1.236 8.976 ( -2.600 -0.101 8.572) 8.958 9.033 ( -1.746 -3.640 6.320) 7.499 9.146 ( -0.775 3.875 2.224) 4.534 9.223 ( 0.211 -3.410 1.917) 3.918 9.434 ( -0.107 4.643 -2.420) 5.237 9.512 ( -1.244 -3.315 -4.849) 6.004 9.630 ( -2.519 -3.989 1.206) 4.869 9.632 ( -0.882 -5.332 -2.796) 6.085 9.861 ( -1.207 0.707 -2.891) 3.212 9.914 ( -1.528 -4.350 -2.588) 5.287 10.277 ( 1.202 2.824 -4.708) 5.620 10.320 ( -5.796 1.936 2.668) 6.668 10.368 ( -4.329 -0.365 -0.694) 4.399 10.440 ( 2.600 8.475 -3.539) 9.546 10.458 ( -6.487 -5.580 1.289) 8.654 10.586 ( 2.725 -5.460 -4.854) 7.797 10.719 ( 1.154 11.595 4.999) 12.680 10.825 ( 1.841 9.703 4.353) 10.793 10.900 ( 1.312 -2.562 2.006) 3.508 10.950 ( -0.667 0.689 -1.480) 1.763 10.969 ( 1.724 -1.591 2.509) 3.435 11.076 ( 0.382 -6.537 3.718) 7.530 11.143 ( -0.299 -2.036 -3.208) 3.812 11.238 ( 1.114 -7.262 -2.444) 7.742 11.352 ( 7.423 4.275 11.613) 14.431 11.383 ( 2.375 4.345 8.217) 9.594 11.506 ( 3.464 1.283 -3.315) 4.964 11.548 ( 5.273 -6.700 2.942) 9.020 11.639 ( 6.077 2.133 -1.711) 6.664 11.725 ( 4.217 -5.645 -6.538) 9.612 11.902 ( -0.814 1.873 1.140) 2.339 11.936 ( -0.890 -0.788 1.139) 1.646 12.050 ( 6.030 -0.175 0.492) 6.052 12.088 ( 6.702 -4.851 -2.849) 8.750 12.268 ( 3.440 1.076 -3.711) 5.174 12.353 ( 3.351 -6.460 0.387) 7.288 12.493 ( 1.020 3.358 -0.878) 3.617 12.541 ( 6.038 -0.117 1.162) 6.150 12.624 ( 5.214 2.124 -1.891) 5.939 12.745 ( 1.316 -5.542 -3.543) 6.708 12.843 ( 8.115 1.398 -0.466) 8.247 12.956 ( 2.433 -7.142 0.296) 7.550 13.069 ( -0.258 4.410 1.139) 4.562 13.146 ( 2.312 -2.260 -0.639) 3.296 13.246 ( 7.122 0.767 -2.371) 7.545 13.282 ( 7.882 -2.453 -0.860) 8.300 13.379 ( 6.987 3.038 6.056) 9.733 13.400 ( 7.079 0.667 0.136) 7.112 13.493 ( 5.152 1.333 -2.844) 6.034 13.542 ( 7.239 -4.008 -2.442) 8.627 14.047 ( 3.523 2.278 -2.101) 4.692 14.144 ( 0.477 -6.251 -0.453) 6.285 14.346 ( 4.257 7.104 0.648) 8.307 14.482 ( -2.360 3.542 0.548) 4.292 14.509 ( 2.236 -4.937 -1.165) 5.544 14.583 ( 0.132 -2.711 -3.310) 4.280 14.868 ( 0.377 8.308 0.863) 8.362 14.962 ( -1.540 1.775 -1.776) 2.946 15.094 ( -8.224 -1.976 -2.192) 8.738 15.114 ( -2.770 -6.516 -0.997) 7.151 15.374 ( 10.841 1.620 2.831) 11.321 15.416 ( 9.272 -2.303 3.001) 10.014 15.757 ( -5.782 4.195 2.769) 7.661 15.821 ( -6.783 -1.671 2.467) 7.408 15.939 ( -7.600 4.006 -0.993) 8.649 15.980 ( -8.968 0.707 -1.076) 9.060 16.526 ( -6.894 4.556 -0.744) 8.297 16.633 ( -5.346 -5.556 -3.510) 8.472 16.963 ( -6.077 2.027 -1.753) 6.641 17.034 ( -6.935 -4.417 -0.077) 8.222 17.241 ( -4.702 2.085 3.619) 6.289 17.272 ( -2.520 -0.591 -1.728) 3.112 17.391 ( -7.352 1.412 -0.121) 7.487 17.429 ( -6.580 -2.158 0.241) 6.929 21.185 ( 4.410 1.304 -0.183) 4.602 21.235 ( 4.916 -3.156 -0.148) 5.843 21.275 ( 3.338 2.414 1.757) 4.479 21.367 ( 3.165 -5.682 2.121) 6.841 22.211 ( 0.423 2.835 5.013) 5.775 22.269 ( 1.521 -2.894 4.700) 5.725 22.568 ( -0.047 2.781 -6.803) 7.350 22.588 ( 1.371 1.086 -1.913) 2.592 23.097 ( 0.954 6.930 -1.956) 7.263 23.222 ( 3.188 -4.299 -0.326) 5.362 23.308 ( -1.629 9.668 -1.016) 9.857 23.394 ( 0.208 3.439 5.198) 6.236 23.620 ( 4.886 4.074 0.498) 6.381 23.723 ( 7.354 -5.271 -0.649) 9.071 24.041 ( -9.404 0.121 -1.206) 9.481 24.200 ( -4.813 -11.716 6.417) 14.198 24.433 ( -3.416 0.027 -4.087) 5.327 24.453 ( -2.641 -1.574 -5.142) 5.991 24.638 ( -3.906 1.342 -0.909) 4.229 24.667 ( -0.122 -2.062 0.271) 2.084 25.355 ( 0.278 3.627 -0.286) 3.649 25.428 ( 3.537 -3.403 -0.052) 4.909 26.125 ( -18.346 5.531 -3.165) 19.421 26.186 ( -18.541 -0.504 2.107) 18.668 27.210 ( 3.780 0.695 -0.153) 3.846 27.227 ( 3.839 -0.906 -0.400) 3.964 27.305 ( 5.475 -0.751 0.256) 5.533 27.310 ( 5.114 -1.247 0.329) 5.274 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.557 1.636 0.628) 2.344 1.851 ( 3.917 -0.271 -0.059) 3.927 1.923 ( 6.503 2.267 -0.348) 6.895 1.940 ( 0.626 1.290 -1.340) 1.963 2.041 ( 3.925 1.236 1.962) 4.559 2.133 ( 4.065 -6.475 4.167) 8.707 2.234 ( -2.020 2.104 -0.664) 2.992 2.260 ( -1.556 -0.165 -2.913) 3.307 2.326 ( 4.011 1.294 -0.018) 4.215 2.410 ( 5.863 -3.166 4.198) 7.875 2.505 ( 6.933 4.005 -0.010) 8.007 2.574 ( -5.117 0.437 1.205) 5.275 2.594 ( -3.728 3.323 -5.954) 7.771 2.686 ( -4.177 -6.698 -2.926) 8.419 2.695 ( -0.695 -3.797 7.220) 8.187 2.719 ( -1.559 -5.516 1.177) 5.852 2.752 ( 7.635 0.180 3.814) 8.537 2.767 ( 5.579 -1.144 1.358) 5.855 3.023 ( -5.612 4.268 -3.621) 7.926 3.085 ( -8.075 -1.337 -3.496) 8.900 3.201 ( 1.528 1.716 5.705) 6.150 3.206 ( -1.110 0.246 1.834) 2.158 3.303 ( 2.830 3.298 -5.291) 6.847 3.365 ( 5.890 -1.801 -5.680) 8.379 3.514 ( 4.757 1.042 1.591) 5.123 3.540 ( 2.350 -1.716 -0.069) 2.911 3.647 ( -4.628 -0.325 1.233) 4.800 3.675 ( -2.003 -2.565 0.529) 3.298 3.721 ( 0.736 3.153 5.105) 6.046 3.749 ( 7.390 1.779 -0.162) 7.603 3.870 ( 6.506 5.707 -2.004) 8.883 3.932 ( 5.546 0.785 -2.711) 6.223 3.992 ( 3.386 3.782 -0.763) 5.133 4.063 ( 3.054 -0.414 5.151) 6.002 4.188 ( -5.056 3.727 5.565) 8.391 4.211 ( -0.312 3.449 4.202) 5.445 4.300 ( 2.889 5.339 0.983) 6.150 4.353 ( -1.707 -1.705 -1.307) 2.744 4.403 ( -1.808 -3.803 -2.192) 4.747 4.430 ( -5.883 -0.302 -0.411) 5.905 4.454 ( -0.787 1.787 0.750) 2.092 4.558 ( -2.281 -5.967 -3.047) 7.078 4.644 ( -5.652 3.336 -3.395) 7.389 4.694 ( -6.826 -0.434 -5.064) 8.510 4.938 ( 0.088 -0.083 1.342) 1.348 4.995 ( -1.834 -5.163 0.903) 5.553 5.217 ( 3.596 2.627 3.172) 5.467 5.289 ( 2.575 -4.913 -0.073) 5.548 5.405 ( -0.900 0.761 0.460) 1.265 5.416 ( -2.924 -0.213 1.143) 3.147 5.625 ( -3.219 2.519 -2.650) 4.872 5.669 ( -4.014 -1.478 -3.308) 5.407 6.058 ( 4.921 3.110 -0.240) 5.826 6.102 ( 0.663 -0.928 0.214) 1.160 6.243 ( 5.174 0.605 -2.624) 5.833 6.267 ( 1.054 -1.713 -1.992) 2.831 6.412 ( -0.092 4.683 0.662) 4.731 6.450 ( -3.629 2.007 2.544) 4.865 6.514 ( -0.438 -0.740 0.715) 1.118 6.531 ( -3.965 -1.564 3.811) 5.717 6.932 ( 5.093 1.298 1.932) 5.600 6.951 ( 4.801 -0.302 2.108) 5.252 7.036 ( -0.750 3.565 -1.582) 3.972 7.073 ( -0.323 -0.059 -1.586) 1.620 7.487 ( 1.625 8.414 -0.897) 8.617 7.610 ( 4.479 -2.256 1.821) 5.335 7.641 ( -4.732 13.707 -1.717) 14.602 7.850 ( -6.575 -5.547 -0.996) 8.660 8.042 ( -1.595 4.241 -0.894) 4.618 8.091 ( -6.529 1.109 -0.814) 6.672 8.278 ( -0.093 3.742 1.482) 4.025 8.287 ( -0.176 1.206 0.759) 1.436 8.364 ( -1.090 -2.111 2.574) 3.503 8.453 ( -0.306 -1.103 -1.821) 2.151 8.651 ( -2.100 -4.149 1.337) 4.839 8.678 ( -1.867 -2.579 -2.417) 3.997 8.846 ( 0.685 0.370 -2.430) 2.552 8.905 ( 3.371 -6.353 -1.383) 7.323 8.953 ( -2.708 -0.596 2.289) 3.595 8.990 ( -4.412 -3.838 3.330) 6.730 9.196 ( 1.451 4.007 4.966) 6.544 9.270 ( 1.047 -2.589 1.504) 3.172 9.434 ( 0.632 -0.391 0.027) 0.743 9.447 ( -1.065 -0.881 -2.087) 2.503 9.638 ( 1.869 -0.154 2.882) 3.438 9.685 ( 1.944 -4.033 0.346) 4.490 9.843 ( -0.313 0.043 0.237) 0.395 9.870 ( -1.235 -2.520 0.580) 2.866 10.194 ( -2.736 4.189 -2.631) 5.653 10.252 ( 0.045 -0.836 -5.213) 5.280 10.307 ( -2.578 1.031 2.254) 3.576 10.358 ( -2.191 -4.218 2.381) 5.316 10.508 ( 3.496 6.801 1.238) 7.747 10.624 ( 2.711 -3.915 -2.315) 5.295 10.669 ( -5.397 7.240 -0.071) 9.030 10.806 ( -7.079 -5.314 -0.966) 8.904 10.891 ( 2.057 7.953 2.588) 8.613 10.942 ( -1.581 2.477 0.655) 3.011 10.999 ( 0.068 3.772 -0.586) 3.818 11.071 ( -0.473 -0.177 -1.562) 1.642 11.154 ( 2.002 -1.888 0.797) 2.865 11.238 ( -4.383 -7.216 3.740) 9.234 11.514 ( 5.848 5.378 3.070) 8.517 11.557 ( 7.642 0.518 -1.238) 7.759 11.609 ( 6.212 -1.770 4.353) 7.789 11.643 ( 0.632 -6.318 4.473) 7.767 11.705 ( 2.882 1.348 0.693) 3.256 11.746 ( 1.264 -2.108 -1.380) 2.819 11.948 ( 1.322 1.998 0.734) 2.506 11.984 ( 3.263 1.010 -0.133) 3.419 12.108 ( -2.030 0.258 0.276) 2.065 12.166 ( 5.038 -4.171 -5.745) 8.705 12.307 ( 2.370 -0.129 -2.722) 3.611 12.408 ( 1.093 -7.082 -1.844) 7.399 12.457 ( -2.403 1.920 0.529) 3.121 12.554 ( -1.271 -5.573 -3.047) 6.477 12.695 ( 2.526 -0.455 -0.438) 2.604 12.718 ( -1.106 -3.480 -0.697) 3.718 12.960 ( 1.965 -0.497 1.758) 2.683 12.992 ( -1.257 0.344 2.475) 2.797 13.089 ( 2.114 -0.351 1.310) 2.512 13.161 ( -1.023 -2.832 -0.924) 3.149 13.254 ( 0.697 2.359 -3.080) 3.942 13.320 ( 1.203 -3.517 -5.466) 6.610 13.551 ( 1.798 4.235 7.729) 8.995 13.595 ( 5.872 0.896 1.812) 6.210 13.617 ( 5.527 3.334 -1.180) 6.561 13.676 ( 7.936 -2.935 -7.324) 11.191 14.161 ( 7.998 2.294 -0.811) 8.360 14.224 ( 6.982 -2.518 -2.989) 8.001 14.328 ( -3.756 5.083 1.467) 6.488 14.445 ( -6.389 -5.774 3.271) 9.212 14.583 ( 7.601 6.530 -5.600) 11.480 14.708 ( 8.541 -5.746 -6.034) 11.932 14.794 ( -8.599 2.992 1.232) 9.188 14.854 ( -6.771 -1.845 3.810) 7.985 14.992 ( 3.611 3.481 4.358) 6.644 15.081 ( 1.692 -5.800 1.054) 6.133 15.495 ( -8.684 0.390 -4.886) 9.971 15.519 ( -5.589 -1.556 -4.240) 7.186 15.664 ( 4.240 4.305 2.541) 6.555 15.726 ( 2.616 -1.530 1.382) 3.331 15.840 ( -2.390 2.014 3.326) 4.564 15.849 ( -4.171 1.022 2.759) 5.105 16.424 ( -3.320 3.528 1.672) 5.125 16.517 ( -3.201 -5.580 -4.157) 7.659 16.862 ( -2.216 1.310 -1.002) 2.762 16.900 ( -4.796 -2.261 -1.158) 5.427 17.189 ( -2.609 3.192 3.524) 5.424 17.237 ( 0.076 0.232 -1.849) 1.865 17.281 ( -2.803 0.254 0.491) 2.857 17.320 ( -3.281 -1.996 -0.953) 3.957 21.265 ( 3.065 1.743 0.223) 3.533 21.298 ( 0.966 0.855 -0.105) 1.294 21.367 ( 3.736 -3.300 1.760) 5.286 21.416 ( 0.504 -5.710 0.917) 5.806 22.263 ( 0.804 3.568 6.828) 7.746 22.337 ( 0.938 -3.671 7.331) 8.253 22.498 ( -1.788 4.070 -7.477) 8.699 22.567 ( -0.543 -2.589 -6.187) 6.728 23.138 ( 3.030 9.472 0.619) 9.964 23.248 ( -2.815 9.195 -2.413) 9.914 23.329 ( 5.664 -5.805 3.315) 8.762 23.427 ( -0.473 -2.735 4.682) 5.443 23.711 ( 4.785 7.448 -6.053) 10.724 23.784 ( -7.454 6.751 -3.111) 10.527 23.945 ( 5.798 -3.387 6.558) 9.386 24.135 ( -5.418 -15.160 7.778) 17.880 24.382 ( 0.964 0.149 -2.084) 2.301 24.403 ( 0.487 -1.467 -2.503) 2.942 24.508 ( -5.335 4.273 -6.264) 9.272 24.608 ( -3.134 -6.053 -6.839) 9.655 25.446 ( 7.038 8.124 3.396) 11.273 25.577 ( 9.130 -4.454 2.251) 10.405 25.755 ( -14.236 5.692 -3.619) 15.753 25.843 ( -15.249 -2.669 1.320) 15.537 27.269 ( 1.730 0.422 0.157) 1.788 27.281 ( 1.454 -0.678 -0.386) 1.650 27.382 ( 1.669 -0.500 0.767) 1.904 27.390 ( 2.493 -1.254 -0.541) 2.843 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -4.728 2.940 3.170) 6.407 1.849 ( -3.444 0.168 -0.527) 3.488 1.913 ( -4.695 1.656 -0.225) 4.984 1.942 ( -2.202 1.291 -1.445) 2.933 2.049 ( -8.538 1.050 1.812) 8.791 2.133 ( -7.147 -3.233 3.137) 8.449 2.192 ( 4.522 0.749 3.632) 5.848 2.231 ( -2.808 -2.816 0.360) 3.993 2.358 ( -3.191 0.470 -1.992) 3.791 2.422 ( -6.446 -1.775 1.950) 6.964 2.496 ( 0.476 0.412 0.658) 0.911 2.522 ( 0.149 -1.690 0.193) 1.708 2.590 ( 1.032 0.198 -1.970) 2.233 2.657 ( 5.330 -6.096 -0.588) 8.119 2.742 ( 8.369 4.014 -0.531) 9.297 2.825 ( 4.074 -2.171 -4.840) 6.689 2.860 ( -5.327 -1.253 -6.317) 8.358 2.873 ( -6.764 -1.905 -6.951) 9.884 2.943 ( 6.710 3.577 3.524) 8.381 2.996 ( 10.359 -1.793 4.644) 11.493 3.166 ( -4.954 2.811 6.149) 8.381 3.219 ( -3.251 -1.060 5.549) 6.518 3.288 ( -4.433 1.639 -2.964) 5.579 3.339 ( -1.661 -1.383 -5.459) 5.871 3.501 ( -6.259 3.116 2.905) 7.571 3.553 ( -5.597 -1.483 -0.209) 5.794 3.609 ( -0.972 2.599 3.191) 4.228 3.630 ( -2.767 -1.105 4.428) 5.338 3.692 ( -1.931 3.510 1.768) 4.379 3.819 ( -0.793 -1.052 -2.370) 2.711 3.858 ( -8.143 3.291 0.266) 8.787 3.913 ( -6.555 2.564 1.554) 7.208 3.991 ( -1.666 2.937 -3.288) 4.713 4.111 ( 3.742 -6.118 0.473) 7.187 4.187 ( -2.196 4.091 6.312) 7.836 4.254 ( -0.677 -1.427 5.315) 5.545 4.313 ( 3.753 3.395 -1.982) 5.435 4.353 ( 3.185 0.985 -2.273) 4.035 4.378 ( 1.806 7.091 -2.474) 7.724 4.465 ( 1.230 -0.129 -0.096) 1.240 4.476 ( 2.055 2.302 -3.723) 4.836 4.525 ( 2.275 -5.747 -0.052) 6.181 4.620 ( 6.348 2.308 -0.290) 6.761 4.665 ( 8.616 -1.214 -3.863) 9.520 4.984 ( 1.877 -3.228 -2.180) 4.324 4.996 ( 4.327 -4.154 0.031) 5.998 5.279 ( -0.470 -0.856 0.229) 1.003 5.286 ( -1.378 -1.346 -2.393) 3.072 5.403 ( -0.288 1.582 1.257) 2.041 5.431 ( 1.403 -0.841 0.340) 1.670 5.578 ( -1.159 1.140 1.128) 1.978 5.594 ( 1.195 -0.462 3.212) 3.458 6.076 ( -2.513 2.748 -1.695) 4.091 6.119 ( 0.403 -1.154 -1.519) 1.949 6.217 ( -4.640 1.653 -0.133) 4.927 6.258 ( -3.740 -2.240 -1.291) 4.546 6.410 ( 1.979 6.111 1.033) 6.506 6.493 ( 6.335 3.142 -1.505) 7.230 6.517 ( 1.826 -2.612 0.704) 3.264 6.562 ( 3.730 -2.538 0.662) 4.560 6.953 ( -3.868 2.253 -0.057) 4.477 6.995 ( -4.237 -1.336 -2.146) 4.934 7.036 ( 1.082 2.537 -1.346) 3.069 7.045 ( 1.116 1.376 1.210) 2.145 7.513 ( -3.650 10.353 -3.111) 11.410 7.606 ( 8.477 13.155 1.023) 15.683 7.671 ( -7.076 -3.857 -4.183) 9.079 7.801 ( 9.260 -4.783 3.575) 11.019 8.017 ( 1.090 4.059 1.619) 4.504 8.071 ( 4.521 0.121 1.162) 4.670 8.261 ( -1.209 1.011 1.875) 2.449 8.300 ( -0.108 2.034 0.338) 2.064 8.374 ( -0.109 3.124 1.718) 3.566 8.457 ( 2.334 0.817 -2.216) 3.320 8.628 ( -0.465 -4.442 2.265) 5.008 8.672 ( 1.339 -4.525 0.794) 4.785 8.806 ( -6.649 -1.416 1.513) 6.965 8.853 ( -3.682 -4.662 2.139) 6.314 8.984 ( 4.838 -0.941 -0.835) 4.999 9.042 ( 6.363 -6.323 -2.047) 9.201 9.241 ( 0.247 2.560 3.604) 4.427 9.281 ( 0.996 -1.520 -1.626) 2.439 9.426 ( -1.001 -0.055 1.363) 1.692 9.444 ( -0.288 -1.530 -1.138) 1.928 9.667 ( -1.702 -1.201 1.223) 2.415 9.677 ( -1.105 -2.152 0.201) 2.428 9.817 ( -3.305 -0.121 3.063) 4.508 9.832 ( -4.056 -1.463 0.307) 4.323 10.202 ( 3.291 2.495 -0.865) 4.219 10.232 ( 2.198 -0.270 -6.124) 6.512 10.317 ( 2.001 4.181 4.531) 6.482 10.403 ( 4.465 -3.253 -1.305) 5.677 10.552 ( -3.358 4.990 -2.122) 6.378 10.616 ( 5.465 4.430 1.914) 7.291 10.648 ( -5.345 -3.845 -2.070) 6.902 10.722 ( 5.641 -4.497 2.953) 7.795 10.867 ( -2.992 5.096 1.091) 6.009 10.959 ( -0.031 -0.734 7.007) 7.046 11.028 ( 2.985 4.233 -2.174) 5.618 11.055 ( -0.216 1.085 -2.299) 2.551 11.139 ( -5.488 3.609 1.810) 6.813 11.220 ( 1.435 -3.656 4.599) 6.048 11.511 ( -6.784 0.515 -1.094) 6.891 11.572 ( -2.740 -2.413 -3.784) 5.258 11.630 ( -2.768 0.576 -1.221) 3.079 11.716 ( 0.226 -4.027 -0.254) 4.041 11.771 ( 2.703 2.195 0.134) 3.484 11.823 ( 5.656 -3.232 -3.893) 7.589 11.932 ( -2.713 -1.166 1.746) 3.431 11.992 ( -3.668 -5.271 5.484) 8.445 12.031 ( -3.493 8.553 -3.328) 9.820 12.184 ( -0.665 -4.593 -7.149) 8.523 12.325 ( -2.631 1.185 -1.569) 3.284 12.363 ( 0.181 -3.519 2.191) 4.149 12.447 ( 1.771 1.132 2.211) 3.051 12.560 ( 3.113 -7.594 -5.290) 9.764 12.689 ( -1.924 -1.113 0.457) 2.269 12.728 ( 0.722 -4.256 -0.884) 4.407 12.946 ( -3.815 1.027 2.410) 4.628 13.002 ( -0.183 -2.970 1.194) 3.206 13.087 ( -1.358 1.719 0.336) 2.216 13.157 ( 0.325 -3.556 0.142) 3.574 13.248 ( -3.118 0.998 -2.435) 4.080 13.267 ( -2.095 -0.461 -0.574) 2.221 13.518 ( -6.354 1.816 4.277) 7.872 13.568 ( -3.503 -2.897 2.685) 5.280 13.714 ( 0.075 4.355 -6.383) 7.728 13.741 ( 0.847 1.571 -8.263) 8.454 14.162 ( -8.221 2.986 -1.979) 8.967 14.209 ( -5.456 -0.311 -2.423) 5.978 14.347 ( -0.042 1.636 3.223) 3.615 14.385 ( 0.422 -1.405 6.304) 6.473 14.544 ( -6.226 3.874 1.202) 7.431 14.640 ( -1.642 -5.411 -3.535) 6.668 14.815 ( 5.654 4.806 -1.365) 7.545 14.929 ( 8.487 -4.478 -2.769) 9.987 15.093 ( -5.361 -0.038 -4.501) 7.000 15.134 ( 0.099 -4.163 -2.238) 4.728 15.391 ( 5.696 0.171 4.651) 7.356 15.407 ( 5.711 -1.316 4.495) 7.386 15.672 ( -5.988 3.938 2.104) 7.469 15.715 ( -4.532 -0.250 2.730) 5.296 15.895 ( 6.912 2.908 -2.410) 7.877 15.919 ( 6.567 0.468 -2.659) 7.101 16.407 ( -0.895 0.815 5.547) 5.678 16.460 ( -0.309 -3.850 -1.270) 4.066 16.854 ( 1.070 0.520 -0.328) 1.234 16.881 ( 4.138 -2.057 0.534) 4.652 17.188 ( 0.389 4.029 2.833) 4.940 17.251 ( 2.618 -0.706 -2.271) 3.537 17.288 ( 2.815 0.356 0.286) 2.851 17.314 ( 3.888 -1.530 -0.867) 4.267 21.273 ( -2.641 1.275 -0.480) 2.972 21.297 ( -0.727 0.419 0.055) 0.840 21.378 ( -2.951 -2.047 0.534) 3.631 21.438 ( 1.209 -6.670 -1.024) 6.856 22.307 ( -2.062 3.088 6.819) 7.765 22.366 ( -3.098 -2.297 6.054) 7.178 22.433 ( 0.084 4.464 -4.231) 6.151 22.535 ( 2.586 -5.128 -5.978) 8.289 23.154 ( -3.752 10.093 -0.758) 10.794 23.219 ( 3.079 9.505 0.092) 9.992 23.393 ( -4.708 -10.410 -1.814) 11.568 23.457 ( 3.798 -10.678 2.240) 11.553 23.589 ( -7.311 14.186 4.271) 16.521 23.765 ( -0.457 3.718 -1.433) 4.011 24.024 ( 2.042 5.522 1.592) 6.099 24.230 ( 9.927 -7.003 -3.885) 12.754 24.382 ( -2.218 1.851 -2.828) 4.043 24.423 ( 3.844 0.414 0.959) 3.984 24.460 ( 0.339 -2.892 -0.419) 2.942 24.518 ( 3.948 -9.752 -4.288) 11.361 25.427 ( -11.097 7.128 4.864) 14.057 25.542 ( -12.542 -4.389 5.237) 14.283 25.740 ( 14.953 9.610 -1.879) 17.874 25.886 ( 15.979 -5.139 -2.510) 16.972 27.273 ( -1.527 -0.071 0.341) 1.566 27.274 ( -1.887 -0.118 -0.306) 1.915 27.380 ( -2.133 -0.048 0.402) 2.171 27.399 ( -1.178 -1.859 -0.884) 2.371 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -14.921 9.348 3.756) 18.004 1.709 ( -8.961 0.016 -0.959) 9.012 1.765 ( -7.898 6.614 2.865) 10.692 1.850 ( -6.958 5.553 1.589) 9.043 1.937 ( -4.983 -5.328 3.313) 8.012 2.054 ( -3.012 -2.578 1.192) 4.140 2.142 ( -0.861 -1.353 -2.362) 2.855 2.231 ( -4.638 -9.194 2.481) 10.592 2.312 ( -0.754 2.560 -1.045) 2.866 2.354 ( -2.133 -1.883 -0.224) 2.853 2.431 ( -3.184 0.561 -2.590) 4.143 2.510 ( -2.137 -5.053 -1.355) 5.651 2.617 ( -5.190 3.001 -3.748) 7.070 2.667 ( -5.648 -0.707 -4.935) 7.533 2.687 ( 2.589 2.374 1.452) 3.800 2.770 ( 2.367 -4.033 1.292) 4.852 2.880 ( 4.594 3.388 -2.648) 6.292 2.944 ( 3.643 -2.530 -1.569) 4.704 3.035 ( -2.645 4.318 3.255) 6.020 3.114 ( -6.417 -2.370 2.487) 7.279 3.147 ( -4.266 8.739 6.355) 11.617 3.162 ( -0.268 3.719 -0.681) 3.790 3.232 ( 7.626 -2.817 4.005) 9.062 3.269 ( -3.594 1.689 -2.229) 4.554 3.332 ( -4.369 4.136 3.645) 7.035 3.468 ( -4.407 -0.593 0.506) 4.476 3.504 ( -6.803 1.820 -0.486) 7.059 3.639 ( -5.627 -9.202 3.486) 11.335 3.646 ( -3.141 4.984 1.817) 6.165 3.698 ( -1.985 0.213 -1.382) 2.428 3.771 ( -2.714 -1.326 1.128) 3.224 3.804 ( -3.620 -6.067 -0.340) 7.073 3.936 ( -5.063 6.936 -2.244) 8.876 4.058 ( -5.414 -4.528 -3.891) 8.060 4.135 ( -4.219 3.272 -0.537) 5.366 4.180 ( -3.095 -0.647 2.218) 3.862 4.374 ( -0.831 4.109 -1.048) 4.321 4.420 ( 5.251 4.225 -1.136) 6.835 4.471 ( 4.933 -1.039 -1.990) 5.420 4.548 ( 7.792 0.406 2.373) 8.156 4.589 ( 6.283 -5.796 0.750) 8.581 4.626 ( 7.494 -4.020 -0.659) 8.530 4.802 ( 8.563 3.927 -2.277) 9.692 4.823 ( 7.458 2.115 -0.237) 7.755 5.011 ( 2.698 0.342 -3.759) 4.639 5.092 ( 4.482 -6.529 -1.570) 8.073 5.210 ( -0.765 0.777 -4.347) 4.482 5.237 ( -2.372 -2.213 -2.302) 3.978 5.446 ( 3.441 3.220 2.342) 5.262 5.501 ( 4.312 -1.848 0.846) 4.767 5.600 ( -0.607 3.520 3.648) 5.106 5.641 ( -0.324 -0.480 3.681) 3.726 6.005 ( -4.338 4.692 -1.845) 6.651 6.074 ( -4.445 0.297 -0.601) 4.495 6.117 ( -2.165 -0.321 0.185) 2.196 6.126 ( -7.514 -2.178 1.404) 7.949 6.463 ( 1.327 4.217 -0.695) 4.475 6.533 ( -0.956 -1.450 -1.558) 2.333 6.560 ( 0.393 1.851 -1.468) 2.395 6.626 ( 1.822 -5.508 -2.312) 6.245 6.888 ( -0.553 0.007 -2.540) 2.599 6.911 ( 0.691 -1.264 -2.681) 3.043 7.060 ( 2.034 3.892 0.880) 4.479 7.123 ( 7.016 -2.250 0.210) 7.371 7.489 ( 2.482 7.651 1.358) 8.158 7.604 ( 2.008 -3.124 0.897) 3.820 7.781 ( 7.787 10.941 -1.948) 13.570 7.942 ( 4.426 -5.791 0.800) 7.333 8.109 ( 0.930 8.436 -3.503) 9.182 8.198 ( 3.230 5.676 2.296) 6.923 8.233 ( 0.816 4.786 3.790) 6.159 8.294 ( 1.441 4.153 1.720) 4.720 8.402 ( -4.164 -4.336 -4.285) 7.382 8.461 ( 4.757 0.387 2.118) 5.221 8.662 ( 0.678 -2.608 3.334) 4.287 8.701 ( 1.852 -7.055 2.002) 7.564 8.800 ( 3.191 1.666 6.190) 7.161 8.832 ( 0.960 -2.186 4.554) 5.142 9.067 ( 3.125 -0.209 -1.868) 3.647 9.123 ( 1.351 -4.327 -2.173) 5.027 9.246 ( 0.321 1.708 -1.817) 2.515 9.297 ( 3.088 -3.319 -6.147) 7.638 9.409 ( -1.158 0.660 -0.539) 1.438 9.437 ( -0.317 -2.768 2.885) 4.010 9.599 ( -3.070 1.697 -0.672) 3.571 9.660 ( 0.356 -3.497 -2.665) 4.411 9.752 ( -3.459 -0.102 5.955) 6.887 9.794 ( -1.627 -3.868 7.879) 8.926 10.282 ( 3.319 2.042 0.679) 3.955 10.287 ( 5.235 1.559 -1.334) 5.623 10.403 ( 3.522 4.346 -1.317) 5.747 10.445 ( -1.168 3.289 -4.671) 5.831 10.513 ( 3.207 -6.078 -1.444) 7.022 10.534 ( -2.721 -3.707 -0.618) 4.640 10.780 ( 5.111 6.361 1.920) 8.383 10.795 ( -1.145 9.633 4.129) 10.543 10.893 ( -3.715 -1.342 3.077) 5.007 10.950 ( -3.990 -0.338 1.662) 4.336 10.987 ( -0.007 -0.046 -0.020) 0.050 11.037 ( 1.367 -4.824 5.680) 7.576 11.149 ( 3.383 3.862 -5.242) 7.337 11.214 ( -2.816 -3.081 -0.064) 4.174 11.409 ( -2.597 2.540 3.434) 4.999 11.477 ( -4.263 -0.441 -0.673) 4.338 11.542 ( -4.255 -0.317 -4.524) 6.219 11.590 ( -7.742 -6.479 -0.451) 10.105 11.722 ( -4.961 -0.389 -7.511) 9.010 11.775 ( -4.847 -5.840 -13.226) 15.248 11.936 ( 0.308 1.141 -1.138) 1.640 11.962 ( 0.842 2.820 1.304) 3.219 11.999 ( 0.654 -1.589 3.766) 4.139 12.053 ( -7.616 -5.939 -0.089) 9.658 12.275 ( -1.796 6.513 -3.904) 7.803 12.378 ( 0.426 -3.073 -1.540) 3.463 12.485 ( -2.770 0.903 1.034) 3.092 12.557 ( -2.267 -5.228 -0.006) 5.699 12.628 ( -4.854 2.887 -3.177) 6.479 12.685 ( -4.295 -0.612 1.526) 4.599 12.833 ( -12.653 -2.792 -0.384) 12.963 12.901 ( -5.844 -7.349 4.899) 10.591 13.098 ( -1.763 3.131 -1.224) 3.796 13.142 ( 1.057 -2.548 -1.465) 3.123 13.164 ( -5.811 1.011 5.505) 8.068 13.220 ( 0.369 -3.254 1.798) 3.736 13.466 ( -5.232 2.555 -3.369) 6.727 13.507 ( -14.121 2.772 -6.591) 15.828 13.529 ( -2.748 -3.353 -1.040) 4.458 13.552 ( -4.359 -1.703 -6.247) 7.806 14.019 ( -4.347 4.493 -0.511) 6.272 14.116 ( -2.908 -3.748 0.697) 4.795 14.312 ( -5.806 8.240 4.257) 10.942 14.377 ( -1.440 1.059 8.650) 8.833 14.524 ( 0.156 -0.590 0.373) 0.715 14.599 ( 2.495 -7.801 -5.520) 9.877 14.931 ( 3.031 6.337 -3.860) 8.015 14.974 ( -2.912 3.281 -1.951) 4.801 15.044 ( 2.040 -1.617 2.754) 3.790 15.121 ( 6.170 -9.555 -3.748) 11.975 15.402 ( -7.836 1.947 0.525) 8.091 15.443 ( -7.746 -2.017 0.737) 8.038 15.753 ( 10.633 4.443 2.366) 11.764 15.811 ( 10.024 -0.917 2.852) 10.462 15.974 ( 3.606 5.042 -4.227) 7.503 16.012 ( 5.774 1.197 -3.306) 6.761 16.455 ( 2.421 0.812 6.457) 6.944 16.521 ( 4.458 -5.150 7.049) 9.803 16.930 ( 5.241 3.039 1.285) 6.193 17.014 ( 7.397 -4.904 1.499) 9.001 17.230 ( 2.208 3.500 2.234) 4.703 17.301 ( 3.382 -3.004 -1.957) 4.928 17.400 ( 7.826 2.554 -0.960) 8.288 17.444 ( 8.319 -1.750 -0.988) 8.558 21.195 ( -3.996 0.512 -1.151) 4.190 21.236 ( -4.948 -3.352 0.122) 5.978 21.309 ( -3.158 2.930 -1.476) 4.554 21.412 ( -2.779 -6.945 -2.105) 7.771 22.266 ( -3.234 1.718 1.361) 3.907 22.299 ( -5.101 -1.565 2.825) 6.038 22.458 ( 1.608 6.116 2.031) 6.642 22.572 ( 2.216 -5.073 -1.546) 5.748 23.077 ( -2.876 8.178 0.116) 8.669 23.237 ( -4.240 -5.892 -1.585) 7.430 23.302 ( 1.725 10.426 -0.733) 10.594 23.491 ( -0.415 -2.261 -3.858) 4.491 23.536 ( -2.245 1.416 7.678) 8.123 23.675 ( -7.184 -6.094 3.558) 10.069 24.143 ( 8.796 13.537 -10.707) 19.372 24.288 ( 0.070 -0.734 -0.063) 0.740 24.380 ( 1.588 -0.428 0.895) 1.873 24.440 ( 4.442 -5.193 -5.705) 8.902 24.597 ( 8.948 1.421 3.380) 9.670 24.694 ( 9.695 -8.913 -1.752) 13.286 25.298 ( -3.743 3.671 4.897) 7.174 25.375 ( -6.486 -3.607 5.014) 8.956 26.075 ( 17.125 10.350 1.697) 20.082 26.219 ( 17.319 -4.133 -1.281) 17.852 27.209 ( -3.970 0.363 -0.126) 3.988 27.218 ( -3.832 -0.490 0.373) 3.882 27.305 ( -5.229 0.239 -0.059) 5.235 27.333 ( -4.480 -2.665 -1.383) 5.393 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -9.097 13.156 6.912) 17.424 1.555 ( -4.940 2.554 -0.216) 5.566 1.594 ( -11.577 13.093 6.518) 18.653 1.749 ( -2.064 -3.085 1.169) 3.891 1.896 ( -2.159 -7.404 2.076) 7.987 1.934 ( -9.074 -6.921 0.397) 11.420 2.151 ( 1.895 -0.651 -1.772) 2.674 2.171 ( -1.501 -4.822 0.753) 5.106 2.259 ( -0.429 -0.779 -2.581) 2.729 2.271 ( -1.055 -2.464 -2.515) 3.675 2.407 ( 1.431 4.862 1.237) 5.217 2.490 ( 0.604 -2.476 -2.694) 3.708 2.563 ( -1.951 9.400 -1.666) 9.744 2.591 ( -0.262 2.322 0.022) 2.337 2.691 ( -2.253 3.885 3.706) 5.823 2.794 ( -3.686 2.017 5.072) 6.587 2.864 ( -8.375 -1.895 5.234) 10.057 2.874 ( -4.841 1.711 1.481) 5.344 3.002 ( -0.300 -0.216 1.420) 1.467 3.046 ( 0.170 -0.595 1.388) 1.519 3.128 ( -0.108 8.196 1.982) 8.433 3.160 ( 0.029 3.528 -3.226) 4.781 3.223 ( -0.278 -1.064 -3.810) 3.966 3.332 ( -0.278 4.187 0.516) 4.228 3.379 ( -1.116 4.942 0.514) 5.092 3.423 ( 4.245 -8.754 4.526) 10.730 3.438 ( 0.516 -4.584 1.380) 4.814 3.548 ( -2.703 -14.069 1.404) 14.395 3.581 ( -3.141 9.569 -4.794) 11.154 3.679 ( -0.547 -1.240 -0.204) 1.370 3.712 ( -0.402 1.134 1.268) 1.748 3.789 ( -2.613 -4.584 -1.258) 5.425 3.800 ( -3.524 6.211 -0.898) 7.197 3.936 ( -3.865 -6.467 -2.099) 7.821 4.063 ( -2.301 3.449 -1.001) 4.265 4.136 ( -2.174 -3.980 -1.060) 4.658 4.334 ( -2.058 4.127 1.025) 4.724 4.438 ( 0.080 -5.428 -2.182) 5.851 4.600 ( 4.531 3.929 -0.338) 6.007 4.661 ( 2.796 3.974 0.733) 4.914 4.698 ( 1.341 -3.569 2.462) 4.538 4.736 ( 4.294 -4.599 0.113) 6.293 4.906 ( 4.028 1.089 -2.128) 4.684 4.940 ( 3.519 -0.331 0.537) 3.575 5.057 ( 3.195 3.075 -1.202) 4.595 5.142 ( 0.458 -4.442 -2.251) 5.001 5.208 ( 1.739 1.036 -2.209) 2.996 5.223 ( 5.018 -1.089 -4.545) 6.857 5.499 ( -0.741 3.749 0.731) 3.891 5.545 ( -0.513 -0.354 -1.163) 1.319 5.597 ( -2.006 2.836 4.093) 5.369 5.632 ( -1.293 -0.113 1.962) 2.353 5.880 ( -3.774 3.577 1.416) 5.389 5.966 ( -4.433 -3.473 0.938) 5.709 6.093 ( 2.212 1.875 1.913) 3.474 6.146 ( 2.890 -1.992 0.484) 3.543 6.433 ( -3.413 3.758 2.167) 5.520 6.509 ( -1.329 -3.799 0.642) 4.076 6.547 ( 0.742 0.017 -3.215) 3.299 6.599 ( -0.744 -4.643 -4.327) 6.390 6.921 ( 5.123 1.841 -2.723) 6.086 6.983 ( 6.593 -3.518 -4.471) 8.708 7.115 ( 2.177 4.912 -0.874) 5.444 7.219 ( 0.901 -5.021 -2.223) 5.564 7.608 ( 5.715 5.835 4.972) 9.562 7.699 ( 2.631 -2.689 4.394) 5.784 7.880 ( 0.475 8.987 0.442) 9.011 7.971 ( -3.071 3.644 -2.462) 5.364 8.070 ( 5.154 -5.068 1.968) 7.492 8.098 ( -7.823 -4.525 -6.164) 10.940 8.291 ( 3.128 6.790 0.750) 7.513 8.361 ( 4.513 1.266 0.278) 4.696 8.468 ( 5.237 10.316 3.239) 12.014 8.591 ( 6.185 1.757 3.926) 7.534 8.692 ( 2.162 1.798 1.197) 3.057 8.758 ( -0.283 -4.144 3.180) 5.231 8.847 ( -2.928 0.633 1.678) 3.433 8.878 ( 1.028 -2.386 1.947) 3.246 9.079 ( -2.106 1.268 -3.437) 4.225 9.124 ( 4.839 -3.042 -4.690) 7.394 9.271 ( 1.687 4.129 -4.981) 6.686 9.328 ( 4.531 0.957 -4.424) 6.405 9.355 ( -6.065 0.531 1.949) 6.393 9.425 ( -4.618 -6.035 6.774) 10.180 9.604 ( 3.850 0.935 2.022) 4.449 9.714 ( 3.684 -5.818 0.395) 6.897 9.806 ( 5.036 0.296 5.524) 7.481 9.855 ( 4.768 -3.883 5.558) 8.289 10.284 ( -1.946 -2.391 -0.601) 3.141 10.299 ( -5.788 -3.450 -1.587) 6.923 10.353 ( -1.594 7.896 0.719) 8.087 10.458 ( 2.896 -0.717 1.836) 3.504 10.571 ( -2.101 3.291 -2.437) 4.602 10.605 ( 0.741 8.223 1.242) 8.350 10.672 ( 1.768 -5.827 -0.983) 6.168 10.730 ( -5.810 0.026 3.273) 6.668 10.921 ( 3.329 5.861 -0.333) 6.749 10.944 ( 0.782 -1.492 -2.159) 2.738 10.994 ( 0.770 -2.956 -4.862) 5.742 11.081 ( -2.098 -4.899 -4.266) 6.827 11.174 ( 0.400 -0.190 6.432) 6.447 11.192 ( 0.654 0.997 1.408) 1.845 11.273 ( -7.724 2.779 -3.930) 9.101 11.358 ( -8.998 -0.315 -4.402) 10.022 11.419 ( -3.049 -3.400 -0.622) 4.609 11.461 ( -8.837 -5.605 -2.413) 10.739 11.641 ( 1.380 -1.827 -9.181) 9.462 11.664 ( 4.087 -1.070 -2.001) 4.675 11.880 ( -5.598 -0.294 3.509) 6.613 11.926 ( -3.322 -3.861 1.318) 5.261 12.049 ( 6.000 3.131 -2.714) 7.291 12.074 ( 5.846 -0.539 -0.008) 5.871 12.176 ( -5.524 3.510 -1.194) 6.653 12.289 ( -7.805 -5.053 -4.493) 10.327 12.358 ( -12.512 -0.088 -2.087) 12.685 12.385 ( -6.675 -2.683 -0.888) 7.248 12.493 ( -4.811 1.949 0.080) 5.191 12.549 ( -9.678 -3.007 3.285) 10.653 12.660 ( -3.735 4.682 3.817) 7.102 12.791 ( -9.525 -7.557 2.422) 12.398 13.020 ( -6.135 4.179 2.479) 7.826 13.072 ( -2.557 1.362 -1.208) 3.139 13.134 ( -3.733 1.328 -4.152) 5.739 13.184 ( 1.505 -4.711 -3.513) 6.066 13.328 ( 0.222 1.422 -0.355) 1.482 13.351 ( -1.177 -2.770 -0.744) 3.101 13.449 ( -2.832 0.753 -4.006) 4.964 13.511 ( -2.061 -3.496 -4.153) 5.807 13.978 ( -0.404 8.027 4.226) 9.081 14.141 ( 3.187 -7.600 7.370) 11.056 14.244 ( -3.203 9.847 -0.098) 10.355 14.396 ( -1.231 -5.515 4.908) 7.484 14.577 ( 5.509 2.189 -1.473) 6.108 14.652 ( 4.054 -5.588 0.687) 6.938 14.875 ( -2.976 6.971 -4.706) 8.922 14.955 ( -2.706 -1.468 0.910) 3.210 15.030 ( -2.097 9.312 1.503) 9.662 15.230 ( 2.346 -5.799 -1.241) 6.377 15.261 ( -3.961 -3.794 -4.458) 7.068 15.285 ( -5.111 -2.312 -1.270) 5.751 15.883 ( 3.454 6.174 -1.543) 7.241 15.954 ( 3.388 -0.056 -0.231) 3.397 16.055 ( 4.172 4.204 0.117) 5.924 16.119 ( 4.937 -1.042 -0.728) 5.098 16.593 ( 4.977 3.569 9.262) 11.104 16.688 ( 6.166 -5.088 6.503) 10.305 17.045 ( 4.125 3.102 3.134) 6.038 17.151 ( 4.522 -6.817 0.629) 8.205 17.308 ( 3.535 1.750 2.352) 4.592 17.356 ( 2.853 -2.817 -0.981) 4.128 17.549 ( 6.631 2.482 -1.458) 7.229 17.591 ( 6.343 -1.634 -2.444) 6.991 21.115 ( -3.107 -0.075 -0.759) 3.199 21.137 ( -3.792 -1.965 -0.387) 4.289 21.240 ( -2.307 2.414 -1.348) 3.601 21.319 ( -4.309 -4.984 -2.195) 6.945 22.217 ( -2.647 0.835 1.787) 3.301 22.228 ( -3.163 -0.218 1.974) 3.735 22.492 ( 0.063 5.628 3.031) 6.393 22.584 ( 0.507 -3.421 -2.569) 4.308 23.062 ( 0.657 6.072 2.662) 6.662 23.170 ( -1.198 -4.116 0.246) 4.293 23.334 ( 0.771 10.195 -0.702) 10.248 23.441 ( -1.870 1.729 -4.003) 4.745 23.523 ( -2.832 -0.090 3.848) 4.778 23.589 ( -2.488 -3.182 2.454) 4.726 24.198 ( 2.949 2.116 -3.752) 5.221 24.291 ( 0.758 -3.453 -1.515) 3.846 24.457 ( 3.626 0.848 1.429) 3.988 24.517 ( 4.557 -4.679 -0.978) 6.604 24.741 ( 3.674 0.299 -5.095) 6.289 24.775 ( 1.557 -2.819 -9.071) 9.625 25.343 ( 3.616 0.863 5.957) 7.021 25.382 ( 3.150 -3.238 5.426) 7.061 26.409 ( 12.815 8.763 4.188) 16.079 26.527 ( 12.572 -2.781 -1.015) 12.916 27.132 ( -3.151 0.443 0.137) 3.185 27.141 ( -3.355 -0.400 0.126) 3.381 27.190 ( -5.140 0.303 -0.479) 5.171 27.216 ( -5.555 -2.335 -1.270) 6.158 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/31500 10.0 1881.974 1719.025 1213.820 0.000 248.163 0.000 3/31500 20.0 223.095 190.552 115.015 0.000 17.455 0.000 3/31500 30.0 76.368 63.431 39.656 0.000 5.538 0.000 3/31500 40.0 39.949 32.850 21.239 0.000 2.857 0.000 3/31500 50.0 25.644 20.965 13.895 0.000 1.825 0.000 3/31500 60.0 18.419 15.000 10.120 0.000 1.308 0.000 3/31500 70.0 14.176 11.513 7.870 0.000 1.005 0.000 3/31500 80.0 11.428 9.263 6.396 0.000 0.809 0.000 3/31500 90.0 9.526 7.709 5.365 0.000 0.673 0.000 3/31500 100.0 8.142 6.580 4.609 0.000 0.575 0.000 3/31500 110.0 7.097 5.729 4.034 0.000 0.500 0.000 3/31500 120.0 6.285 5.067 3.585 0.000 0.442 0.000 3/31500 130.0 5.638 4.540 3.226 0.000 0.396 0.000 3/31500 140.0 5.111 4.111 2.932 0.000 0.358 0.000 3/31500 150.0 4.676 3.756 2.688 0.000 0.327 0.000 3/31500 160.0 4.310 3.458 2.482 0.000 0.301 0.000 3/31500 170.0 3.999 3.205 2.307 0.000 0.278 0.000 3/31500 180.0 3.731 2.986 2.155 0.000 0.259 0.000 3/31500 190.0 3.497 2.797 2.023 0.000 0.242 0.000 3/31500 200.0 3.293 2.630 1.907 0.000 0.228 0.000 3/31500 210.0 3.112 2.483 1.804 0.000 0.215 0.000 3/31500 220.0 2.951 2.352 1.712 0.000 0.203 0.000 3/31500 230.0 2.806 2.235 1.629 0.000 0.193 0.000 3/31500 240.0 2.676 2.129 1.555 0.000 0.183 0.000 3/31500 250.0 2.557 2.033 1.487 0.000 0.175 0.000 3/31500 260.0 2.450 1.946 1.426 0.000 0.167 0.000 3/31500 270.0 2.351 1.866 1.369 0.000 0.160 0.000 3/31500 280.0 2.260 1.793 1.317 0.000 0.154 0.000 3/31500 290.0 2.177 1.725 1.269 0.000 0.148 0.000 3/31500 300.0 2.099 1.663 1.224 0.000 0.142 0.000 3/31500 310.0 2.028 1.605 1.183 0.000 0.137 0.000 3/31500 320.0 1.961 1.551 1.144 0.000 0.132 0.000 3/31500 330.0 1.898 1.501 1.108 0.000 0.128 0.000 3/31500 340.0 1.840 1.454 1.075 0.000 0.124 0.000 3/31500 350.0 1.785 1.410 1.043 0.000 0.120 0.000 3/31500 360.0 1.734 1.368 1.013 0.000 0.116 0.000 3/31500 370.0 1.685 1.329 0.985 0.000 0.113 0.000 3/31500 380.0 1.639 1.293 0.959 0.000 0.109 0.000 3/31500 390.0 1.596 1.258 0.933 0.000 0.106 0.000 3/31500 400.0 1.555 1.225 0.910 0.000 0.103 0.000 3/31500 410.0 1.516 1.194 0.887 0.000 0.101 0.000 3/31500 420.0 1.479 1.165 0.866 0.000 0.098 0.000 3/31500 430.0 1.444 1.137 0.845 0.000 0.096 0.000 3/31500 440.0 1.411 1.110 0.826 0.000 0.093 0.000 3/31500 450.0 1.379 1.084 0.807 0.000 0.091 0.000 3/31500 460.0 1.348 1.060 0.790 0.000 0.089 0.000 3/31500 470.0 1.319 1.037 0.773 0.000 0.087 0.000 3/31500 480.0 1.291 1.015 0.756 0.000 0.085 0.000 3/31500 490.0 1.265 0.993 0.741 0.000 0.083 0.000 3/31500 500.0 1.239 0.973 0.726 0.000 0.082 0.000 3/31500 510.0 1.215 0.954 0.712 0.000 0.080 0.000 3/31500 520.0 1.191 0.935 0.698 0.000 0.078 0.000 3/31500 530.0 1.168 0.917 0.685 0.000 0.077 0.000 3/31500 540.0 1.147 0.899 0.672 0.000 0.075 0.000 3/31500 550.0 1.125 0.883 0.660 0.000 0.074 0.000 3/31500 560.0 1.105 0.867 0.648 0.000 0.072 0.000 3/31500 570.0 1.086 0.851 0.636 0.000 0.071 0.000 3/31500 580.0 1.067 0.836 0.626 0.000 0.070 0.000 3/31500 590.0 1.049 0.822 0.615 0.000 0.069 0.000 3/31500 600.0 1.031 0.808 0.605 0.000 0.067 0.000 3/31500 610.0 1.014 0.795 0.595 0.000 0.066 0.000 3/31500 620.0 0.998 0.782 0.585 0.000 0.065 0.000 3/31500 630.0 0.982 0.769 0.576 0.000 0.064 0.000 3/31500 640.0 0.966 0.757 0.567 0.000 0.063 0.000 3/31500 650.0 0.952 0.745 0.558 0.000 0.062 0.000 3/31500 660.0 0.937 0.734 0.550 0.000 0.061 0.000 3/31500 670.0 0.923 0.723 0.541 0.000 0.060 0.000 3/31500 680.0 0.909 0.712 0.533 0.000 0.059 0.000 3/31500 690.0 0.896 0.701 0.526 0.000 0.058 0.000 3/31500 700.0 0.883 0.691 0.518 0.000 0.057 0.000 3/31500 710.0 0.871 0.681 0.511 0.000 0.057 0.000 3/31500 720.0 0.859 0.672 0.504 0.000 0.056 0.000 3/31500 730.0 0.847 0.663 0.497 0.000 0.055 0.000 3/31500 740.0 0.836 0.654 0.490 0.000 0.054 0.000 3/31500 750.0 0.824 0.645 0.484 0.000 0.053 0.000 3/31500 760.0 0.814 0.636 0.477 0.000 0.053 0.000 3/31500 770.0 0.803 0.628 0.471 0.000 0.052 0.000 3/31500 780.0 0.793 0.620 0.465 0.000 0.051 0.000 3/31500 790.0 0.783 0.612 0.459 0.000 0.051 0.000 3/31500 800.0 0.773 0.604 0.454 0.000 0.050 0.000 3/31500 810.0 0.763 0.597 0.448 0.000 0.049 0.000 3/31500 820.0 0.754 0.589 0.442 0.000 0.049 0.000 3/31500 830.0 0.745 0.582 0.437 0.000 0.048 0.000 3/31500 840.0 0.736 0.575 0.432 0.000 0.048 0.000 3/31500 850.0 0.727 0.568 0.427 0.000 0.047 0.000 3/31500 860.0 0.719 0.562 0.422 0.000 0.046 0.000 3/31500 870.0 0.711 0.555 0.417 0.000 0.046 0.000 3/31500 880.0 0.703 0.549 0.412 0.000 0.045 0.000 3/31500 890.0 0.695 0.543 0.408 0.000 0.045 0.000 3/31500 900.0 0.687 0.537 0.403 0.000 0.044 0.000 3/31500 910.0 0.679 0.531 0.399 0.000 0.044 0.000 3/31500 920.0 0.672 0.525 0.394 0.000 0.043 0.000 3/31500 930.0 0.665 0.519 0.390 0.000 0.043 0.000 3/31500 940.0 0.658 0.514 0.386 0.000 0.042 0.000 3/31500 950.0 0.651 0.508 0.382 0.000 0.042 0.000 3/31500 960.0 0.644 0.503 0.378 0.000 0.042 0.000 3/31500 970.0 0.637 0.498 0.374 0.000 0.041 0.000 3/31500 980.0 0.631 0.493 0.370 0.000 0.041 0.000 3/31500 990.0 0.625 0.488 0.367 0.000 0.040 0.000 3/31500 1000.0 0.618 0.483 0.363 0.000 0.040 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:23:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|