----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:08:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.656811380265536 0.000000000000000 0.000000000000000 b 0.000000000000000 5.198727580000000 0.000000000000000 c -3.213531173970128 0.000000000000000 13.513155564944089 Atomic positions (fractional): *1 Na 0.04316120927349 0.89747422656344 0.68677295148236 22.990 *2 Na 0.43142177618215 0.25077805801922 0.60164644885441 22.990 *3 Na 0.35445499159700 0.73835873672754 0.19638732666614 22.990 4 Na 0.64554500840300 0.26164126327247 0.80361267333386 22.990 5 Na 0.56857822381785 0.75077805801922 0.89835355114559 22.990 6 Na 0.35445499159700 0.76164126327246 0.69638732666614 22.990 7 Na 0.64554500840300 0.23835873672753 0.30361267333386 22.990 8 Na 0.04316120927349 0.60252577343656 0.18677295148236 22.990 *9 Na 0.12900377818872 0.24472963901109 0.53297715899006 22.990 10 Na 0.95683879072651 0.10252577343656 0.31322704851764 22.990 11 Na 0.43142177618215 0.24922194198078 0.10164644885441 22.990 12 Na 0.95683879072651 0.39747422656344 0.81322704851764 22.990 13 Na 0.56857822381785 0.74922194198078 0.39835355114559 22.990 14 Na 0.12900377818872 0.25527036098891 0.03297715899006 22.990 15 Na 0.87099622181128 0.74472963901109 0.96702284100994 22.990 16 Na 0.87099622181128 0.75527036098891 0.46702284100994 22.990 *17 Te 0.29138502840063 0.27565719606109 0.81631875198811 127.600 18 Te 0.70861497159937 0.72434280393891 0.18368124801189 127.600 19 Te 0.70861497159937 0.77565719606109 0.68368124801189 127.600 *20 Te 0.22338608553010 0.72390545038433 0.42230031402723 127.600 21 Te 0.77661391446990 0.27609454961567 0.57769968597277 127.600 22 Te 0.77661391446990 0.22390545038433 0.07769968597277 127.600 23 Te 0.22338608553010 0.77609454961567 0.92230031402723 127.600 24 Te 0.29138502840063 0.22434280393891 0.31631875198811 127.600 *25 O 0.18437094179394 0.90455985438362 0.28625936345671 15.999 *26 O 0.23570120834279 0.36252670407793 0.18952110571197 15.999 *27 O 0.13841565213828 0.40232279854120 0.35538299867455 15.999 *28 O 0.67697803283770 0.54903611875890 0.04844703164386 15.999 *29 O 0.06834731548171 0.64882208863681 0.94175174945087 15.999 30 O 0.32302196716230 0.04903611875890 0.45155296835614 15.999 *31 O 0.44303388710866 0.41663180765959 0.79523810335999 15.999 *32 O 0.71989852319014 0.08137557059671 0.95313166514454 15.999 33 O 0.13841565213828 0.09767720145880 0.85538299867455 15.999 34 O 0.76429879165721 0.86252670407793 0.31047889428803 15.999 35 O 0.28010147680986 0.91862442940329 0.04686833485546 15.999 36 O 0.32302196716230 0.45096388124110 0.95155296835614 15.999 37 O 0.18437094179394 0.59544014561638 0.78625936345671 15.999 38 O 0.76429879165721 0.63747329592207 0.81047889428803 15.999 *39 O 0.62962516595548 0.45084594182898 0.62295574889077 15.999 40 O 0.71989852319014 0.41862442940329 0.45313166514454 15.999 41 O 0.81562905820606 0.40455985438362 0.21374063654329 15.999 42 O 0.67697803283770 0.95096388124110 0.54844703164386 15.999 43 O 0.93165268451829 0.14882208863681 0.55824825054913 15.999 44 O 0.37037483404452 0.95084594182897 0.87704425110923 15.999 45 O 0.55696611289134 0.58336819234041 0.20476189664001 15.999 46 O 0.81562905820606 0.09544014561638 0.71374063654329 15.999 47 O 0.28010147680986 0.58137557059671 0.54686833485546 15.999 48 O 0.86158434786172 0.90232279854120 0.14461700132545 15.999 49 O 0.55696611289134 0.91663180765959 0.70476189664001 15.999 50 O 0.06834731548171 0.85117791136319 0.44175174945087 15.999 51 O 0.86158434786172 0.59767720145880 0.64461700132545 15.999 52 O 0.93165268451829 0.35117791136319 0.05824825054913 15.999 53 O 0.37037483404452 0.54915405817103 0.37704425110923 15.999 54 O 0.62962516595548 0.04915405817103 0.12295574889077 15.999 55 O 0.44303388710866 0.08336819234041 0.29523810335999 15.999 56 O 0.23570120834279 0.13747329592207 0.68952110571197 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.656811380265536 0.000000000000000 0.000000000000000 b 0.000000000000000 5.198727580000000 0.000000000000000 c -3.213531173970128 0.000000000000000 13.513155564944089 Atomic positions (fractional): *1 Na 0.04316120927349 0.89747422656344 0.68677295148236 22.990 > 1 *2 Na 0.43142177618215 0.25077805801922 0.60164644885441 22.990 > 2 *3 Na 0.35445499159700 0.73835873672754 0.19638732666614 22.990 > 3 4 Na 0.64554500840300 0.26164126327247 0.80361267333386 22.990 > 4 5 Na 0.56857822381785 0.75077805801922 0.89835355114559 22.990 > 5 6 Na 0.35445499159700 0.76164126327246 0.69638732666614 22.990 > 6 7 Na 0.64554500840300 0.23835873672753 0.30361267333386 22.990 > 7 8 Na 0.04316120927349 0.60252577343656 0.18677295148236 22.990 > 8 *9 Na 0.12900377818872 0.24472963901109 0.53297715899006 22.990 > 9 10 Na 0.95683879072651 0.10252577343656 0.31322704851764 22.990 > 10 11 Na 0.43142177618215 0.24922194198078 0.10164644885441 22.990 > 11 12 Na 0.95683879072651 0.39747422656344 0.81322704851764 22.990 > 12 13 Na 0.56857822381785 0.74922194198078 0.39835355114559 22.990 > 13 14 Na 0.12900377818872 0.25527036098891 0.03297715899006 22.990 > 14 15 Na 0.87099622181128 0.74472963901109 0.96702284100994 22.990 > 15 16 Na 0.87099622181128 0.75527036098891 0.46702284100994 22.990 > 16 *17 Te 0.29138502840063 0.27565719606109 0.81631875198811 127.600 > 17 18 Te 0.70861497159937 0.72434280393891 0.18368124801189 127.600 > 18 19 Te 0.70861497159937 0.77565719606109 0.68368124801189 127.600 > 19 *20 Te 0.22338608553010 0.72390545038433 0.42230031402723 127.600 > 20 21 Te 0.77661391446990 0.27609454961567 0.57769968597277 127.600 > 21 22 Te 0.77661391446990 0.22390545038433 0.07769968597277 127.600 > 22 23 Te 0.22338608553010 0.77609454961567 0.92230031402723 127.600 > 23 24 Te 0.29138502840063 0.22434280393891 0.31631875198811 127.600 > 24 *25 O 0.18437094179394 0.90455985438362 0.28625936345671 15.999 > 25 *26 O 0.23570120834279 0.36252670407793 0.18952110571197 15.999 > 26 *27 O 0.13841565213828 0.40232279854120 0.35538299867455 15.999 > 27 *28 O 0.67697803283770 0.54903611875890 0.04844703164386 15.999 > 28 *29 O 0.06834731548171 0.64882208863681 0.94175174945087 15.999 > 29 30 O 0.32302196716230 0.04903611875890 0.45155296835614 15.999 > 30 *31 O 0.44303388710866 0.41663180765959 0.79523810335999 15.999 > 31 *32 O 0.71989852319014 0.08137557059671 0.95313166514454 15.999 > 32 33 O 0.13841565213828 0.09767720145880 0.85538299867455 15.999 > 33 34 O 0.76429879165721 0.86252670407793 0.31047889428803 15.999 > 34 35 O 0.28010147680986 0.91862442940329 0.04686833485546 15.999 > 35 36 O 0.32302196716230 0.45096388124110 0.95155296835614 15.999 > 36 37 O 0.18437094179394 0.59544014561638 0.78625936345671 15.999 > 37 38 O 0.76429879165721 0.63747329592207 0.81047889428803 15.999 > 38 *39 O 0.62962516595548 0.45084594182898 0.62295574889077 15.999 > 39 40 O 0.71989852319014 0.41862442940329 0.45313166514454 15.999 > 40 41 O 0.81562905820606 0.40455985438362 0.21374063654329 15.999 > 41 42 O 0.67697803283770 0.95096388124110 0.54844703164386 15.999 > 42 43 O 0.93165268451829 0.14882208863681 0.55824825054913 15.999 > 43 44 O 0.37037483404452 0.95084594182897 0.87704425110923 15.999 > 44 45 O 0.55696611289134 0.58336819234041 0.20476189664001 15.999 > 45 46 O 0.81562905820606 0.09544014561638 0.71374063654329 15.999 > 46 47 O 0.28010147680986 0.58137557059671 0.54686833485546 15.999 > 47 48 O 0.86158434786172 0.90232279854120 0.14461700132545 15.999 > 48 49 O 0.55696611289134 0.91663180765959 0.70476189664001 15.999 > 49 50 O 0.06834731548171 0.85117791136319 0.44175174945087 15.999 > 50 51 O 0.86158434786172 0.59767720145880 0.64461700132545 15.999 > 51 52 O 0.93165268451829 0.35117791136319 0.05824825054913 15.999 > 52 53 O 0.37037483404452 0.54915405817103 0.37704425110923 15.999 > 53 54 O 0.62962516595548 0.04915405817103 0.12295574889077 15.999 > 54 55 O 0.44303388710866 0.08336819234041 0.29523810335999 15.999 > 55 56 O 0.23570120834279 0.13747329592207 0.68952110571197 15.999 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.656811380265536 0.000000000000000 0.000000000000000 b 0.000000000000000 10.397455160000000 0.000000000000000 c -3.213531173970128 0.000000000000000 13.513155564944089 Atomic positions (fractional): *1 Na 0.04316120927349 0.44873711328172 0.68677295148236 22.990 > 1 2 Na 0.04316120927349 0.94873711328172 0.68677295148236 22.990 > 1 *3 Na 0.43142177618215 0.12538902900961 0.60164644885441 22.990 > 2 4 Na 0.43142177618215 0.62538902900961 0.60164644885441 22.990 > 2 *5 Na 0.35445499159700 0.36917936836377 0.19638732666614 22.990 > 3 6 Na 0.35445499159700 0.86917936836377 0.19638732666614 22.990 > 3 7 Na 0.64554500840300 0.13082063163623 0.80361267333386 22.990 > 4 8 Na 0.64554500840300 0.63082063163623 0.80361267333386 22.990 > 4 9 Na 0.56857822381785 0.37538902900961 0.89835355114559 22.990 > 5 10 Na 0.56857822381785 0.87538902900961 0.89835355114559 22.990 > 5 11 Na 0.35445499159700 0.38082063163623 0.69638732666614 22.990 > 6 12 Na 0.35445499159700 0.88082063163623 0.69638732666614 22.990 > 6 13 Na 0.64554500840300 0.11917936836377 0.30361267333386 22.990 > 7 14 Na 0.64554500840300 0.61917936836377 0.30361267333386 22.990 > 7 15 Na 0.04316120927349 0.30126288671828 0.18677295148236 22.990 > 8 16 Na 0.04316120927349 0.80126288671828 0.18677295148236 22.990 > 8 *17 Na 0.12900377818872 0.12236481950555 0.53297715899006 22.990 > 9 18 Na 0.12900377818872 0.62236481950555 0.53297715899006 22.990 > 9 19 Na 0.95683879072651 0.05126288671828 0.31322704851764 22.990 > 10 20 Na 0.95683879072651 0.55126288671828 0.31322704851764 22.990 > 10 21 Na 0.43142177618215 0.12461097099039 0.10164644885441 22.990 > 11 22 Na 0.43142177618215 0.62461097099039 0.10164644885441 22.990 > 11 23 Na 0.95683879072651 0.19873711328172 0.81322704851764 22.990 > 12 24 Na 0.95683879072651 0.69873711328172 0.81322704851764 22.990 > 12 25 Na 0.56857822381785 0.37461097099039 0.39835355114559 22.990 > 13 26 Na 0.56857822381785 0.87461097099039 0.39835355114559 22.990 > 13 27 Na 0.12900377818872 0.12763518049445 0.03297715899006 22.990 > 14 28 Na 0.12900377818872 0.62763518049445 0.03297715899006 22.990 > 14 29 Na 0.87099622181128 0.37236481950555 0.96702284100994 22.990 > 15 30 Na 0.87099622181128 0.87236481950555 0.96702284100994 22.990 > 15 31 Na 0.87099622181128 0.37763518049445 0.46702284100994 22.990 > 16 32 Na 0.87099622181128 0.87763518049445 0.46702284100994 22.990 > 16 *33 Te 0.29138502840063 0.13782859803054 0.81631875198811 127.600 > 17 34 Te 0.29138502840063 0.63782859803054 0.81631875198811 127.600 > 17 35 Te 0.70861497159937 0.36217140196946 0.18368124801189 127.600 > 18 36 Te 0.70861497159937 0.86217140196946 0.18368124801189 127.600 > 18 37 Te 0.70861497159937 0.38782859803054 0.68368124801189 127.600 > 19 38 Te 0.70861497159937 0.88782859803054 0.68368124801189 127.600 > 19 *39 Te 0.22338608553010 0.36195272519216 0.42230031402723 127.600 > 20 40 Te 0.22338608553010 0.86195272519216 0.42230031402723 127.600 > 20 41 Te 0.77661391446990 0.13804727480784 0.57769968597277 127.600 > 21 42 Te 0.77661391446990 0.63804727480784 0.57769968597277 127.600 > 21 43 Te 0.77661391446990 0.11195272519216 0.07769968597277 127.600 > 22 44 Te 0.77661391446990 0.61195272519216 0.07769968597277 127.600 > 22 45 Te 0.22338608553010 0.38804727480784 0.92230031402723 127.600 > 23 46 Te 0.22338608553010 0.88804727480784 0.92230031402723 127.600 > 23 47 Te 0.29138502840063 0.11217140196946 0.31631875198811 127.600 > 24 48 Te 0.29138502840063 0.61217140196946 0.31631875198811 127.600 > 24 *49 O 0.18437094179394 0.45227992719181 0.28625936345671 15.999 > 25 50 O 0.18437094179394 0.95227992719181 0.28625936345671 15.999 > 25 *51 O 0.23570120834279 0.18126335203896 0.18952110571197 15.999 > 26 52 O 0.23570120834279 0.68126335203896 0.18952110571197 15.999 > 26 *53 O 0.13841565213828 0.20116139927060 0.35538299867455 15.999 > 27 54 O 0.13841565213828 0.70116139927060 0.35538299867455 15.999 > 27 *55 O 0.67697803283770 0.27451805937945 0.04844703164386 15.999 > 28 56 O 0.67697803283770 0.77451805937945 0.04844703164386 15.999 > 28 *57 O 0.06834731548171 0.32441104431841 0.94175174945087 15.999 > 29 58 O 0.06834731548171 0.82441104431841 0.94175174945087 15.999 > 29 59 O 0.32302196716230 0.02451805937945 0.45155296835614 15.999 > 30 60 O 0.32302196716230 0.52451805937945 0.45155296835614 15.999 > 30 *61 O 0.44303388710866 0.20831590382980 0.79523810335999 15.999 > 31 62 O 0.44303388710866 0.70831590382980 0.79523810335999 15.999 > 31 *63 O 0.71989852319014 0.04068778529835 0.95313166514454 15.999 > 32 64 O 0.71989852319014 0.54068778529835 0.95313166514454 15.999 > 32 65 O 0.13841565213828 0.04883860072940 0.85538299867455 15.999 > 33 66 O 0.13841565213828 0.54883860072940 0.85538299867455 15.999 > 33 67 O 0.76429879165721 0.43126335203896 0.31047889428803 15.999 > 34 68 O 0.76429879165721 0.93126335203896 0.31047889428803 15.999 > 34 69 O 0.28010147680986 0.45931221470165 0.04686833485546 15.999 > 35 70 O 0.28010147680986 0.95931221470165 0.04686833485546 15.999 > 35 71 O 0.32302196716230 0.22548194062055 0.95155296835614 15.999 > 36 72 O 0.32302196716230 0.72548194062055 0.95155296835614 15.999 > 36 73 O 0.18437094179394 0.29772007280819 0.78625936345671 15.999 > 37 74 O 0.18437094179394 0.79772007280819 0.78625936345671 15.999 > 37 75 O 0.76429879165721 0.31873664796104 0.81047889428803 15.999 > 38 76 O 0.76429879165721 0.81873664796104 0.81047889428803 15.999 > 38 *77 O 0.62962516595548 0.22542297091449 0.62295574889077 15.999 > 39 78 O 0.62962516595548 0.72542297091449 0.62295574889077 15.999 > 39 79 O 0.71989852319014 0.20931221470165 0.45313166514454 15.999 > 40 80 O 0.71989852319014 0.70931221470165 0.45313166514454 15.999 > 40 81 O 0.81562905820606 0.20227992719181 0.21374063654329 15.999 > 41 82 O 0.81562905820606 0.70227992719181 0.21374063654329 15.999 > 41 83 O 0.67697803283770 0.47548194062055 0.54844703164386 15.999 > 42 84 O 0.67697803283770 0.97548194062055 0.54844703164386 15.999 > 42 85 O 0.93165268451829 0.07441104431841 0.55824825054913 15.999 > 43 86 O 0.93165268451829 0.57441104431841 0.55824825054913 15.999 > 43 87 O 0.37037483404452 0.47542297091449 0.87704425110923 15.999 > 44 88 O 0.37037483404452 0.97542297091449 0.87704425110923 15.999 > 44 89 O 0.55696611289134 0.29168409617020 0.20476189664001 15.999 > 45 90 O 0.55696611289134 0.79168409617020 0.20476189664001 15.999 > 45 91 O 0.81562905820606 0.04772007280819 0.71374063654329 15.999 > 46 92 O 0.81562905820606 0.54772007280819 0.71374063654329 15.999 > 46 93 O 0.28010147680986 0.29068778529835 0.54686833485546 15.999 > 47 94 O 0.28010147680986 0.79068778529835 0.54686833485546 15.999 > 47 95 O 0.86158434786172 0.45116139927060 0.14461700132545 15.999 > 48 96 O 0.86158434786172 0.95116139927060 0.14461700132545 15.999 > 48 97 O 0.55696611289134 0.45831590382980 0.70476189664001 15.999 > 49 98 O 0.55696611289134 0.95831590382980 0.70476189664001 15.999 > 49 99 O 0.06834731548171 0.42558895568159 0.44175174945087 15.999 > 50 100 O 0.06834731548171 0.92558895568159 0.44175174945087 15.999 > 50 101 O 0.86158434786172 0.29883860072940 0.64461700132545 15.999 > 51 102 O 0.86158434786172 0.79883860072940 0.64461700132545 15.999 > 51 103 O 0.93165268451829 0.17558895568159 0.05824825054913 15.999 > 52 104 O 0.93165268451829 0.67558895568159 0.05824825054913 15.999 > 52 105 O 0.37037483404452 0.27457702908551 0.37704425110923 15.999 > 53 106 O 0.37037483404452 0.77457702908551 0.37704425110923 15.999 > 53 107 O 0.62962516595548 0.02457702908551 0.12295574889077 15.999 > 54 108 O 0.62962516595548 0.52457702908551 0.12295574889077 15.999 > 54 109 O 0.44303388710866 0.04168409617020 0.29523810335999 15.999 > 55 110 O 0.44303388710866 0.54168409617020 0.29523810335999 15.999 > 55 111 O 0.23570120834279 0.06873664796104 0.68952110571197 15.999 > 56 112 O 0.23570120834279 0.56873664796104 0.68952110571197 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8915075 0.0000000 -0.2157642 0.0000000 3.5759367 0.0000000 -0.2157932 0.0000000 3.0125027 -------------------------- Born effective charges -------------------------- 1 Na 1.2567899 -0.0087550 0.2472771 0.0612628 1.0389053 -0.0849731 0.2372812 0.0096441 1.0596597 2 Na 1.2250672 -0.0721338 0.0700575 -0.0471529 1.0554878 -0.0226725 0.0826557 -0.0536542 1.2247102 3 Na 1.0473889 -0.0806985 -0.1455944 0.0679057 1.0290810 0.0518504 -0.1593597 -0.0748166 1.1701884 4 Na 1.0473889 -0.0806985 -0.1455944 0.0679057 1.0290810 0.0518504 -0.1593597 -0.0748166 1.1701884 5 Na 1.2250672 0.0721338 0.0700575 0.0471529 1.0554878 0.0226725 0.0826557 0.0536542 1.2247102 6 Na 1.0473889 0.0806985 -0.1455944 -0.0679057 1.0290810 -0.0518504 -0.1593597 0.0748166 1.1701884 7 Na 1.0473889 0.0806985 -0.1455944 -0.0679057 1.0290810 -0.0518504 -0.1593597 0.0748166 1.1701884 8 Na 1.2567899 0.0087550 0.2472771 -0.0612628 1.0389053 0.0849731 0.2372812 -0.0096441 1.0596597 9 Na 1.1337821 0.0497113 -0.1834231 0.0511264 1.0322822 0.0736856 -0.1749884 -0.0622839 1.1861026 10 Na 1.2567899 -0.0087550 0.2472771 0.0612628 1.0389053 -0.0849731 0.2372812 0.0096441 1.0596597 11 Na 1.2250672 0.0721338 0.0700575 0.0471529 1.0554878 0.0226725 0.0826557 0.0536542 1.2247102 12 Na 1.2567899 0.0087550 0.2472771 -0.0612628 1.0389053 0.0849731 0.2372812 -0.0096441 1.0596597 13 Na 1.2250672 -0.0721338 0.0700575 -0.0471529 1.0554878 -0.0226725 0.0826557 -0.0536542 1.2247102 14 Na 1.1337821 -0.0497113 -0.1834231 -0.0511264 1.0322822 -0.0736856 -0.1749884 0.0622839 1.1861026 15 Na 1.1337821 -0.0497113 -0.1834231 -0.0511264 1.0322822 -0.0736856 -0.1749884 0.0622839 1.1861026 16 Na 1.1337821 0.0497113 -0.1834231 0.0511264 1.0322822 0.0736856 -0.1749884 -0.0622839 1.1861026 17 Te 3.4465952 0.1098437 -0.5226484 -0.0250572 5.6878709 0.0389064 -0.4876917 0.1280720 3.6893887 18 Te 3.4465952 0.1098437 -0.5226484 -0.0250572 5.6878709 0.0389064 -0.4876917 0.1280720 3.6893887 19 Te 3.4465952 -0.1098437 -0.5226484 0.0250572 5.6878709 -0.0389064 -0.4876917 -0.1280720 3.6893887 20 Te 3.3527961 -0.1443712 -0.3850964 -0.0763344 5.7215595 0.0619434 -0.4450500 -0.1042910 3.6397128 21 Te 3.3527961 -0.1443712 -0.3850964 -0.0763344 5.7215595 0.0619434 -0.4450500 -0.1042910 3.6397128 22 Te 3.3527961 0.1443712 -0.3850964 0.0763344 5.7215595 -0.0619434 -0.4450500 0.1042910 3.6397128 23 Te 3.3527961 0.1443712 -0.3850964 0.0763344 5.7215595 -0.0619434 -0.4450500 0.1042910 3.6397128 24 Te 3.4465952 -0.1098437 -0.5226484 0.0250572 5.6878709 -0.0389064 -0.4876917 -0.1280720 3.6893887 25 O -1.3014276 -0.4269139 0.1037449 -0.4654890 -2.4434220 0.4015520 0.1084901 0.2930336 -1.4577525 26 O -1.2173715 0.0466281 0.0132460 0.0820044 -1.4466791 0.0565854 0.0445869 0.2875558 -2.0208693 27 O -1.4186949 0.1682280 0.1216188 0.2761184 -2.4419417 -0.5830652 0.1149704 -0.4688301 -1.3410010 28 O -1.1778141 0.4084868 0.1300842 0.4553672 -2.4051195 -0.4643162 0.1471108 -0.3198700 -1.5077972 29 O -1.9417874 -0.3031316 0.1902044 -0.1106355 -1.4691504 -0.0187871 0.1762586 0.0395425 -1.2032554 30 O -1.1778141 -0.4084868 0.1300842 -0.4553672 -2.4051195 0.4643162 0.1471108 0.3198700 -1.5077972 31 O -1.9219465 -0.2724369 0.2195901 -0.0775256 -1.4573524 -0.0646612 0.1979206 0.0239967 -1.2119435 32 O -1.0911050 -0.0584209 -0.0797483 -0.0882784 -1.4688162 -0.0626534 -0.0435528 -0.2962636 -1.9352125 33 O -1.4186949 -0.1682280 0.1216188 -0.2761184 -2.4419417 0.5830652 0.1149704 0.4688301 -1.3410010 34 O -1.2173715 -0.0466281 0.0132460 -0.0820044 -1.4466791 -0.0565854 0.0445869 -0.2875558 -2.0208693 35 O -1.0911050 -0.0584209 -0.0797483 -0.0882784 -1.4688162 -0.0626534 -0.0435528 -0.2962636 -1.9352125 36 O -1.1778141 0.4084868 0.1300842 0.4553672 -2.4051195 -0.4643162 0.1471108 -0.3198700 -1.5077972 37 O -1.3014276 0.4269139 0.1037449 0.4654890 -2.4434220 -0.4015520 0.1084901 -0.2930336 -1.4577525 38 O -1.2173715 0.0466281 0.0132460 0.0820044 -1.4466791 0.0565854 0.0445869 0.2875558 -2.0208693 39 O -1.3922724 0.1922585 0.2206876 0.3052808 -2.4327054 -0.5891502 0.2013684 -0.5043666 -1.2919310 40 O -1.0911050 0.0584209 -0.0797483 0.0882784 -1.4688162 0.0626534 -0.0435528 0.2962636 -1.9352125 41 O -1.3014276 0.4269139 0.1037449 0.4654890 -2.4434220 -0.4015520 0.1084901 -0.2930336 -1.4577525 42 O -1.1778141 -0.4084868 0.1300842 -0.4553672 -2.4051195 0.4643162 0.1471108 0.3198700 -1.5077972 43 O -1.9417874 0.3031316 0.1902044 0.1106355 -1.4691504 0.0187871 0.1762586 -0.0395425 -1.2032554 44 O -1.3922724 -0.1922585 0.2206876 -0.3052808 -2.4327054 0.5891502 0.2013684 0.5043666 -1.2919310 45 O -1.9219465 -0.2724369 0.2195901 -0.0775256 -1.4573524 -0.0646612 0.1979206 0.0239967 -1.2119435 46 O -1.3014276 -0.4269139 0.1037449 -0.4654890 -2.4434220 0.4015520 0.1084901 0.2930336 -1.4577525 47 O -1.0911050 0.0584209 -0.0797483 0.0882784 -1.4688162 0.0626534 -0.0435528 0.2962636 -1.9352125 48 O -1.4186949 -0.1682280 0.1216188 -0.2761184 -2.4419417 0.5830652 0.1149704 0.4688301 -1.3410010 49 O -1.9219465 0.2724369 0.2195901 0.0775256 -1.4573524 0.0646612 0.1979206 -0.0239967 -1.2119435 50 O -1.9417874 0.3031316 0.1902044 0.1106355 -1.4691504 0.0187871 0.1762586 -0.0395425 -1.2032554 51 O -1.4186949 0.1682280 0.1216188 0.2761184 -2.4419417 -0.5830652 0.1149704 -0.4688301 -1.3410010 52 O -1.9417874 -0.3031316 0.1902044 -0.1106355 -1.4691504 -0.0187871 0.1762586 0.0395425 -1.2032554 53 O -1.3922724 0.1922585 0.2206876 0.3052808 -2.4327054 -0.5891502 0.2013684 -0.5043666 -1.2919310 54 O -1.3922724 -0.1922585 0.2206876 -0.3052808 -2.4327054 0.5891502 0.2013684 0.5043666 -1.2919310 55 O -1.9219465 0.2724369 0.2195901 0.0775256 -1.4573524 0.0646612 0.1979206 -0.0239967 -1.2119435 56 O -1.2173715 -0.0466281 0.0132460 -0.0820044 -1.4466791 -0.0565854 0.0445869 -0.2875558 -2.0208693 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 227 eigenvectors found. (2) Block: 500 / 568 (2) 230 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 545 eigenvectors found. (1) Complementary block size: 79 (1) Compute compressed projector. (1) Use standard solver. (1) 51 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 227 eigenvectors found. (2) Block: 500 / 568 (2) 230 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 545 eigenvectors found. (1) Complementary block size: 79 (1) Compute compressed projector. (1) Use standard solver. (1) 51 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 51), data: (1568, 79) @ (79, 51) |-- (568, 545), data: False |-- (568, 32), data: (568, 55) @ (55, 32) |-- (68, 56), data: True |-- (250, 230), data: True |-- (250, 227), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 224), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 27), data: (500, 55) @ (55, 27) |-- (250, 222), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 51), data: (1568, 79) @ (79, 51) |-- (568, 545), data: False |-- (568, 32), data: (568, 55) @ (55, 32) |-- (68, 56), data: True |-- (250, 230), data: True |-- (250, 227), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 224), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 27), data: (500, 55) @ (55, 27) |-- (250, 222), data: True |-- (250, 223), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.913 Solver_block: 200 / 1680 - Time: 1.645 Solver_block: 300 / 1680 - Time: 1.649 Solver_block: 400 / 1680 - Time: 1.652 Solver_block: 500 / 1680 - Time: 1.652 Solver_block: 600 / 1680 - Time: 1.653 Solver_block: 700 / 1680 - Time: 1.650 Solver_block: 800 / 1680 - Time: 1.650 Solver_block: 900 / 1680 - Time: 1.646 Solver_block: 1000 / 1680 - Time: 1.654 Solver_block: 1100 / 1680 - Time: 1.649 Solver_block: 1200 / 1680 - Time: 1.649 Solver_block: 1300 / 1680 - Time: 1.650 Solver_block: 1400 / 1680 - Time: 1.652 Solver_block: 1500 / 1680 - Time: 1.650 Solver_block: 1600 / 1680 - Time: 1.652 Solver_block: 1680 / 1680 - Time: 1.386 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 28.875 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (xy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 227 eigenvectors found. (2) Block: 500 / 568 (2) 230 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 545 eigenvectors found. (1) Complementary block size: 79 (1) Compute compressed projector. (1) Use standard solver. (1) 51 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 227 eigenvectors found. (2) Block: 500 / 568 (2) 230 eigenvectors found. (2) Block: 568 / 568 (2) 56 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 545 eigenvectors found. (1) Complementary block size: 79 (1) Compute compressed projector. (1) Use standard solver. (1) 51 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 51), data: (1568, 79) @ (79, 51) |-- (568, 545), data: False |-- (568, 32), data: (568, 55) @ (55, 32) |-- (68, 56), data: True |-- (250, 230), data: True |-- (250, 227), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 224), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 27), data: (500, 55) @ (55, 27) |-- (250, 222), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 51), data: (1568, 79) @ (79, 51) |-- (568, 545), data: False |-- (568, 32), data: (568, 55) @ (55, 32) |-- (68, 56), data: True |-- (250, 230), data: True |-- (250, 227), data: True |-- (500, 472), data: False |-- (500, 22), data: (500, 50) @ (50, 22) |-- (250, 224), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 27), data: (500, 55) @ (55, 27) |-- (250, 222), data: True |-- (250, 223), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:10:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:10:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.656811380265536 0.000000000000000 0.000000000000000 b 0.000000000000000 5.198727580000000 0.000000000000000 c -3.213531173970128 0.000000000000000 13.513155564944089 Atomic positions (fractional): 1 Na 0.04316120927349 0.89747422656344 0.68677295148236 22.990 2 Na 0.43142177618215 0.25077805801922 0.60164644885441 22.990 3 Na 0.35445499159700 0.73835873672754 0.19638732666614 22.990 4 Na 0.64554500840300 0.26164126327247 0.80361267333386 22.990 5 Na 0.56857822381785 0.75077805801922 0.89835355114559 22.990 6 Na 0.35445499159700 0.76164126327246 0.69638732666614 22.990 7 Na 0.64554500840300 0.23835873672753 0.30361267333386 22.990 8 Na 0.04316120927349 0.60252577343656 0.18677295148236 22.990 9 Na 0.12900377818872 0.24472963901109 0.53297715899006 22.990 10 Na 0.95683879072651 0.10252577343656 0.31322704851764 22.990 11 Na 0.43142177618215 0.24922194198078 0.10164644885441 22.990 12 Na 0.95683879072651 0.39747422656344 0.81322704851764 22.990 13 Na 0.56857822381785 0.74922194198078 0.39835355114559 22.990 14 Na 0.12900377818872 0.25527036098891 0.03297715899006 22.990 15 Na 0.87099622181128 0.74472963901109 0.96702284100994 22.990 16 Na 0.87099622181128 0.75527036098891 0.46702284100994 22.990 17 Te 0.29138502840063 0.27565719606109 0.81631875198811 127.600 18 Te 0.70861497159937 0.72434280393891 0.18368124801189 127.600 19 Te 0.70861497159937 0.77565719606109 0.68368124801189 127.600 20 Te 0.22338608553010 0.72390545038433 0.42230031402723 127.600 21 Te 0.77661391446990 0.27609454961567 0.57769968597277 127.600 22 Te 0.77661391446990 0.22390545038433 0.07769968597277 127.600 23 Te 0.22338608553010 0.77609454961567 0.92230031402723 127.600 24 Te 0.29138502840063 0.22434280393891 0.31631875198811 127.600 25 O 0.18437094179394 0.90455985438362 0.28625936345671 15.999 26 O 0.23570120834279 0.36252670407793 0.18952110571197 15.999 27 O 0.13841565213828 0.40232279854120 0.35538299867455 15.999 28 O 0.67697803283770 0.54903611875890 0.04844703164386 15.999 29 O 0.06834731548171 0.64882208863681 0.94175174945087 15.999 30 O 0.32302196716230 0.04903611875890 0.45155296835614 15.999 31 O 0.44303388710866 0.41663180765959 0.79523810335999 15.999 32 O 0.71989852319014 0.08137557059671 0.95313166514454 15.999 33 O 0.13841565213828 0.09767720145880 0.85538299867455 15.999 34 O 0.76429879165721 0.86252670407793 0.31047889428803 15.999 35 O 0.28010147680986 0.91862442940329 0.04686833485546 15.999 36 O 0.32302196716230 0.45096388124110 0.95155296835614 15.999 37 O 0.18437094179394 0.59544014561638 0.78625936345671 15.999 38 O 0.76429879165721 0.63747329592207 0.81047889428803 15.999 39 O 0.62962516595548 0.45084594182898 0.62295574889077 15.999 40 O 0.71989852319014 0.41862442940329 0.45313166514454 15.999 41 O 0.81562905820606 0.40455985438362 0.21374063654329 15.999 42 O 0.67697803283770 0.95096388124110 0.54844703164386 15.999 43 O 0.93165268451829 0.14882208863681 0.55824825054913 15.999 44 O 0.37037483404452 0.95084594182897 0.87704425110923 15.999 45 O 0.55696611289134 0.58336819234041 0.20476189664001 15.999 46 O 0.81562905820606 0.09544014561638 0.71374063654329 15.999 47 O 0.28010147680986 0.58137557059671 0.54686833485546 15.999 48 O 0.86158434786172 0.90232279854120 0.14461700132545 15.999 49 O 0.55696611289134 0.91663180765959 0.70476189664001 15.999 50 O 0.06834731548171 0.85117791136319 0.44175174945087 15.999 51 O 0.86158434786172 0.59767720145880 0.64461700132545 15.999 52 O 0.93165268451829 0.35117791136319 0.05824825054913 15.999 53 O 0.37037483404452 0.54915405817103 0.37704425110923 15.999 54 O 0.62962516595548 0.04915405817103 0.12295574889077 15.999 55 O 0.44303388710866 0.08336819234041 0.29523810335999 15.999 56 O 0.23570120834279 0.13747329592207 0.68952110571197 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.656811380265536 0.000000000000000 0.000000000000000 b 0.000000000000000 10.397455160000000 0.000000000000000 c -3.213531173970128 0.000000000000000 13.513155564944089 Atomic positions (fractional): 1 Na 0.04316120927349 0.44873711328172 0.68677295148236 22.990 > 1 2 Na 0.04316120927349 0.94873711328172 0.68677295148236 22.990 > 1 3 Na 0.43142177618215 0.12538902900961 0.60164644885441 22.990 > 3 4 Na 0.43142177618215 0.62538902900961 0.60164644885441 22.990 > 3 5 Na 0.35445499159700 0.36917936836377 0.19638732666614 22.990 > 5 6 Na 0.35445499159700 0.86917936836377 0.19638732666614 22.990 > 5 7 Na 0.64554500840300 0.13082063163623 0.80361267333386 22.990 > 7 8 Na 0.64554500840300 0.63082063163623 0.80361267333386 22.990 > 7 9 Na 0.56857822381785 0.37538902900961 0.89835355114559 22.990 > 9 10 Na 0.56857822381785 0.87538902900961 0.89835355114559 22.990 > 9 11 Na 0.35445499159700 0.38082063163623 0.69638732666614 22.990 > 11 12 Na 0.35445499159700 0.88082063163623 0.69638732666614 22.990 > 11 13 Na 0.64554500840300 0.11917936836377 0.30361267333386 22.990 > 13 14 Na 0.64554500840300 0.61917936836377 0.30361267333386 22.990 > 13 15 Na 0.04316120927349 0.30126288671828 0.18677295148236 22.990 > 15 16 Na 0.04316120927349 0.80126288671828 0.18677295148236 22.990 > 15 17 Na 0.12900377818872 0.12236481950555 0.53297715899006 22.990 > 17 18 Na 0.12900377818872 0.62236481950555 0.53297715899006 22.990 > 17 19 Na 0.95683879072651 0.05126288671828 0.31322704851764 22.990 > 19 20 Na 0.95683879072651 0.55126288671828 0.31322704851764 22.990 > 19 21 Na 0.43142177618215 0.12461097099039 0.10164644885441 22.990 > 21 22 Na 0.43142177618215 0.62461097099039 0.10164644885441 22.990 > 21 23 Na 0.95683879072651 0.19873711328172 0.81322704851764 22.990 > 23 24 Na 0.95683879072651 0.69873711328172 0.81322704851764 22.990 > 23 25 Na 0.56857822381785 0.37461097099039 0.39835355114559 22.990 > 25 26 Na 0.56857822381785 0.87461097099039 0.39835355114559 22.990 > 25 27 Na 0.12900377818872 0.12763518049445 0.03297715899006 22.990 > 27 28 Na 0.12900377818872 0.62763518049445 0.03297715899006 22.990 > 27 29 Na 0.87099622181128 0.37236481950555 0.96702284100994 22.990 > 29 30 Na 0.87099622181128 0.87236481950555 0.96702284100994 22.990 > 29 31 Na 0.87099622181128 0.37763518049445 0.46702284100994 22.990 > 31 32 Na 0.87099622181128 0.87763518049445 0.46702284100994 22.990 > 31 33 Te 0.29138502840063 0.13782859803054 0.81631875198811 127.600 > 33 34 Te 0.29138502840063 0.63782859803054 0.81631875198811 127.600 > 33 35 Te 0.70861497159937 0.36217140196946 0.18368124801189 127.600 > 35 36 Te 0.70861497159937 0.86217140196946 0.18368124801189 127.600 > 35 37 Te 0.70861497159937 0.38782859803054 0.68368124801189 127.600 > 37 38 Te 0.70861497159937 0.88782859803054 0.68368124801189 127.600 > 37 39 Te 0.22338608553010 0.36195272519216 0.42230031402723 127.600 > 39 40 Te 0.22338608553010 0.86195272519216 0.42230031402723 127.600 > 39 41 Te 0.77661391446990 0.13804727480784 0.57769968597277 127.600 > 41 42 Te 0.77661391446990 0.63804727480784 0.57769968597277 127.600 > 41 43 Te 0.77661391446990 0.11195272519216 0.07769968597277 127.600 > 43 44 Te 0.77661391446990 0.61195272519216 0.07769968597277 127.600 > 43 45 Te 0.22338608553010 0.38804727480784 0.92230031402723 127.600 > 45 46 Te 0.22338608553010 0.88804727480784 0.92230031402723 127.600 > 45 47 Te 0.29138502840063 0.11217140196946 0.31631875198811 127.600 > 47 48 Te 0.29138502840063 0.61217140196946 0.31631875198811 127.600 > 47 49 O 0.18437094179394 0.45227992719181 0.28625936345671 15.999 > 49 50 O 0.18437094179394 0.95227992719181 0.28625936345671 15.999 > 49 51 O 0.23570120834279 0.18126335203896 0.18952110571197 15.999 > 51 52 O 0.23570120834279 0.68126335203896 0.18952110571197 15.999 > 51 53 O 0.13841565213828 0.20116139927060 0.35538299867455 15.999 > 53 54 O 0.13841565213828 0.70116139927060 0.35538299867455 15.999 > 53 55 O 0.67697803283770 0.27451805937945 0.04844703164386 15.999 > 55 56 O 0.67697803283770 0.77451805937945 0.04844703164386 15.999 > 55 57 O 0.06834731548171 0.32441104431841 0.94175174945087 15.999 > 57 58 O 0.06834731548171 0.82441104431841 0.94175174945087 15.999 > 57 59 O 0.32302196716230 0.02451805937945 0.45155296835614 15.999 > 59 60 O 0.32302196716230 0.52451805937945 0.45155296835614 15.999 > 59 61 O 0.44303388710866 0.20831590382980 0.79523810335999 15.999 > 61 62 O 0.44303388710866 0.70831590382980 0.79523810335999 15.999 > 61 63 O 0.71989852319014 0.04068778529835 0.95313166514454 15.999 > 63 64 O 0.71989852319014 0.54068778529835 0.95313166514454 15.999 > 63 65 O 0.13841565213828 0.04883860072940 0.85538299867455 15.999 > 65 66 O 0.13841565213828 0.54883860072940 0.85538299867455 15.999 > 65 67 O 0.76429879165721 0.43126335203896 0.31047889428803 15.999 > 67 68 O 0.76429879165721 0.93126335203896 0.31047889428803 15.999 > 67 69 O 0.28010147680986 0.45931221470165 0.04686833485546 15.999 > 69 70 O 0.28010147680986 0.95931221470165 0.04686833485546 15.999 > 69 71 O 0.32302196716230 0.22548194062055 0.95155296835614 15.999 > 71 72 O 0.32302196716230 0.72548194062055 0.95155296835614 15.999 > 71 73 O 0.18437094179394 0.29772007280819 0.78625936345671 15.999 > 73 74 O 0.18437094179394 0.79772007280819 0.78625936345671 15.999 > 73 75 O 0.76429879165721 0.31873664796104 0.81047889428803 15.999 > 75 76 O 0.76429879165721 0.81873664796104 0.81047889428803 15.999 > 75 77 O 0.62962516595548 0.22542297091449 0.62295574889077 15.999 > 77 78 O 0.62962516595548 0.72542297091449 0.62295574889077 15.999 > 77 79 O 0.71989852319014 0.20931221470165 0.45313166514454 15.999 > 79 80 O 0.71989852319014 0.70931221470165 0.45313166514454 15.999 > 79 81 O 0.81562905820606 0.20227992719181 0.21374063654329 15.999 > 81 82 O 0.81562905820606 0.70227992719181 0.21374063654329 15.999 > 81 83 O 0.67697803283770 0.47548194062055 0.54844703164386 15.999 > 83 84 O 0.67697803283770 0.97548194062055 0.54844703164386 15.999 > 83 85 O 0.93165268451829 0.07441104431841 0.55824825054913 15.999 > 85 86 O 0.93165268451829 0.57441104431841 0.55824825054913 15.999 > 85 87 O 0.37037483404452 0.47542297091449 0.87704425110923 15.999 > 87 88 O 0.37037483404452 0.97542297091449 0.87704425110923 15.999 > 87 89 O 0.55696611289134 0.29168409617020 0.20476189664001 15.999 > 89 90 O 0.55696611289134 0.79168409617020 0.20476189664001 15.999 > 89 91 O 0.81562905820606 0.04772007280819 0.71374063654329 15.999 > 91 92 O 0.81562905820606 0.54772007280819 0.71374063654329 15.999 > 91 93 O 0.28010147680986 0.29068778529835 0.54686833485546 15.999 > 93 94 O 0.28010147680986 0.79068778529835 0.54686833485546 15.999 > 93 95 O 0.86158434786172 0.45116139927060 0.14461700132545 15.999 > 95 96 O 0.86158434786172 0.95116139927060 0.14461700132545 15.999 > 95 97 O 0.55696611289134 0.45831590382980 0.70476189664001 15.999 > 97 98 O 0.55696611289134 0.95831590382980 0.70476189664001 15.999 > 97 99 O 0.06834731548171 0.42558895568159 0.44175174945087 15.999 > 99 100 O 0.06834731548171 0.92558895568159 0.44175174945087 15.999 > 99 101 O 0.86158434786172 0.29883860072940 0.64461700132545 15.999 > 101 102 O 0.86158434786172 0.79883860072940 0.64461700132545 15.999 > 101 103 O 0.93165268451829 0.17558895568159 0.05824825054913 15.999 > 103 104 O 0.93165268451829 0.67558895568159 0.05824825054913 15.999 > 103 105 O 0.37037483404452 0.27457702908551 0.37704425110923 15.999 > 105 106 O 0.37037483404452 0.77457702908551 0.37704425110923 15.999 > 105 107 O 0.62962516595548 0.02457702908551 0.12295574889077 15.999 > 107 108 O 0.62962516595548 0.52457702908551 0.12295574889077 15.999 > 107 109 O 0.44303388710866 0.04168409617020 0.29523810335999 15.999 > 109 110 O 0.44303388710866 0.54168409617020 0.29523810335999 15.999 > 109 111 O 0.23570120834279 0.06873664796104 0.68952110571197 15.999 > 111 112 O 0.23570120834279 0.56873664796104 0.68952110571197 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8915075 0.0000000 -0.2157642 0.0000000 3.5759367 0.0000000 -0.2157932 0.0000000 3.0125027 -------------------------- Born effective charges -------------------------- 1 Na 1.2567899 -0.0087550 0.2472771 0.0612628 1.0389053 -0.0849731 0.2372812 0.0096441 1.0596597 2 Na 1.2250672 -0.0721338 0.0700575 -0.0471529 1.0554878 -0.0226725 0.0826557 -0.0536542 1.2247102 3 Na 1.0473889 -0.0806985 -0.1455944 0.0679057 1.0290810 0.0518504 -0.1593597 -0.0748166 1.1701884 4 Na 1.0473889 -0.0806985 -0.1455944 0.0679057 1.0290810 0.0518504 -0.1593597 -0.0748166 1.1701884 5 Na 1.2250672 0.0721338 0.0700575 0.0471529 1.0554878 0.0226725 0.0826557 0.0536542 1.2247102 6 Na 1.0473889 0.0806985 -0.1455944 -0.0679057 1.0290810 -0.0518504 -0.1593597 0.0748166 1.1701884 7 Na 1.0473889 0.0806985 -0.1455944 -0.0679057 1.0290810 -0.0518504 -0.1593597 0.0748166 1.1701884 8 Na 1.2567899 0.0087550 0.2472771 -0.0612628 1.0389053 0.0849731 0.2372812 -0.0096441 1.0596597 9 Na 1.1337821 0.0497113 -0.1834231 0.0511264 1.0322822 0.0736856 -0.1749884 -0.0622839 1.1861026 10 Na 1.2567899 -0.0087550 0.2472771 0.0612628 1.0389053 -0.0849731 0.2372812 0.0096441 1.0596597 11 Na 1.2250672 0.0721338 0.0700575 0.0471529 1.0554878 0.0226725 0.0826557 0.0536542 1.2247102 12 Na 1.2567899 0.0087550 0.2472771 -0.0612628 1.0389053 0.0849731 0.2372812 -0.0096441 1.0596597 13 Na 1.2250672 -0.0721338 0.0700575 -0.0471529 1.0554878 -0.0226725 0.0826557 -0.0536542 1.2247102 14 Na 1.1337821 -0.0497113 -0.1834231 -0.0511264 1.0322822 -0.0736856 -0.1749884 0.0622839 1.1861026 15 Na 1.1337821 -0.0497113 -0.1834231 -0.0511264 1.0322822 -0.0736856 -0.1749884 0.0622839 1.1861026 16 Na 1.1337821 0.0497113 -0.1834231 0.0511264 1.0322822 0.0736856 -0.1749884 -0.0622839 1.1861026 17 Te 3.4465952 0.1098437 -0.5226484 -0.0250572 5.6878709 0.0389064 -0.4876917 0.1280720 3.6893887 18 Te 3.4465952 0.1098437 -0.5226484 -0.0250572 5.6878709 0.0389064 -0.4876917 0.1280720 3.6893887 19 Te 3.4465952 -0.1098437 -0.5226484 0.0250572 5.6878709 -0.0389064 -0.4876917 -0.1280720 3.6893887 20 Te 3.3527961 -0.1443712 -0.3850964 -0.0763344 5.7215595 0.0619434 -0.4450500 -0.1042910 3.6397128 21 Te 3.3527961 -0.1443712 -0.3850964 -0.0763344 5.7215595 0.0619434 -0.4450500 -0.1042910 3.6397128 22 Te 3.3527961 0.1443712 -0.3850964 0.0763344 5.7215595 -0.0619434 -0.4450500 0.1042910 3.6397128 23 Te 3.3527961 0.1443712 -0.3850964 0.0763344 5.7215595 -0.0619434 -0.4450500 0.1042910 3.6397128 24 Te 3.4465952 -0.1098437 -0.5226484 0.0250572 5.6878709 -0.0389064 -0.4876917 -0.1280720 3.6893887 25 O -1.3014276 -0.4269139 0.1037449 -0.4654890 -2.4434220 0.4015520 0.1084901 0.2930336 -1.4577525 26 O -1.2173715 0.0466281 0.0132460 0.0820044 -1.4466791 0.0565854 0.0445869 0.2875558 -2.0208693 27 O -1.4186949 0.1682280 0.1216188 0.2761184 -2.4419417 -0.5830652 0.1149704 -0.4688301 -1.3410010 28 O -1.1778141 0.4084868 0.1300842 0.4553672 -2.4051195 -0.4643162 0.1471108 -0.3198700 -1.5077972 29 O -1.9417874 -0.3031316 0.1902044 -0.1106355 -1.4691504 -0.0187871 0.1762586 0.0395425 -1.2032554 30 O -1.1778141 -0.4084868 0.1300842 -0.4553672 -2.4051195 0.4643162 0.1471108 0.3198700 -1.5077972 31 O -1.9219465 -0.2724369 0.2195901 -0.0775256 -1.4573524 -0.0646612 0.1979206 0.0239967 -1.2119435 32 O -1.0911050 -0.0584209 -0.0797483 -0.0882784 -1.4688162 -0.0626534 -0.0435528 -0.2962636 -1.9352125 33 O -1.4186949 -0.1682280 0.1216188 -0.2761184 -2.4419417 0.5830652 0.1149704 0.4688301 -1.3410010 34 O -1.2173715 -0.0466281 0.0132460 -0.0820044 -1.4466791 -0.0565854 0.0445869 -0.2875558 -2.0208693 35 O -1.0911050 -0.0584209 -0.0797483 -0.0882784 -1.4688162 -0.0626534 -0.0435528 -0.2962636 -1.9352125 36 O -1.1778141 0.4084868 0.1300842 0.4553672 -2.4051195 -0.4643162 0.1471108 -0.3198700 -1.5077972 37 O -1.3014276 0.4269139 0.1037449 0.4654890 -2.4434220 -0.4015520 0.1084901 -0.2930336 -1.4577525 38 O -1.2173715 0.0466281 0.0132460 0.0820044 -1.4466791 0.0565854 0.0445869 0.2875558 -2.0208693 39 O -1.3922724 0.1922585 0.2206876 0.3052808 -2.4327054 -0.5891502 0.2013684 -0.5043666 -1.2919310 40 O -1.0911050 0.0584209 -0.0797483 0.0882784 -1.4688162 0.0626534 -0.0435528 0.2962636 -1.9352125 41 O -1.3014276 0.4269139 0.1037449 0.4654890 -2.4434220 -0.4015520 0.1084901 -0.2930336 -1.4577525 42 O -1.1778141 -0.4084868 0.1300842 -0.4553672 -2.4051195 0.4643162 0.1471108 0.3198700 -1.5077972 43 O -1.9417874 0.3031316 0.1902044 0.1106355 -1.4691504 0.0187871 0.1762586 -0.0395425 -1.2032554 44 O -1.3922724 -0.1922585 0.2206876 -0.3052808 -2.4327054 0.5891502 0.2013684 0.5043666 -1.2919310 45 O -1.9219465 -0.2724369 0.2195901 -0.0775256 -1.4573524 -0.0646612 0.1979206 0.0239967 -1.2119435 46 O -1.3014276 -0.4269139 0.1037449 -0.4654890 -2.4434220 0.4015520 0.1084901 0.2930336 -1.4577525 47 O -1.0911050 0.0584209 -0.0797483 0.0882784 -1.4688162 0.0626534 -0.0435528 0.2962636 -1.9352125 48 O -1.4186949 -0.1682280 0.1216188 -0.2761184 -2.4419417 0.5830652 0.1149704 0.4688301 -1.3410010 49 O -1.9219465 0.2724369 0.2195901 0.0775256 -1.4573524 0.0646612 0.1979206 -0.0239967 -1.2119435 50 O -1.9417874 0.3031316 0.1902044 0.1106355 -1.4691504 0.0187871 0.1762586 -0.0395425 -1.2032554 51 O -1.4186949 0.1682280 0.1216188 0.2761184 -2.4419417 -0.5830652 0.1149704 -0.4688301 -1.3410010 52 O -1.9417874 -0.3031316 0.1902044 -0.1106355 -1.4691504 -0.0187871 0.1762586 0.0395425 -1.2032554 53 O -1.3922724 0.1922585 0.2206876 0.3052808 -2.4327054 -0.5891502 0.2013684 -0.5043666 -1.2919310 54 O -1.3922724 -0.1922585 0.2206876 -0.3052808 -2.4327054 0.5891502 0.2013684 0.5043666 -1.2919310 55 O -1.9219465 0.2724369 0.2195901 0.0775256 -1.4573524 0.0646612 0.1979206 -0.0239967 -1.2119435 56 O -1.2173715 -0.0466281 0.0132460 -0.0820044 -1.4466791 -0.0565854 0.0445869 -0.2875558 -2.0208693 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:11:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:11:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.656811380265536 0.000000000000000 0.000000000000000 b 0.000000000000000 5.198727580000000 0.000000000000000 c -3.213531173970128 0.000000000000000 13.513155564944089 Atomic positions (fractional): 1 Na 0.04316120927349 0.89747422656344 0.68677295148236 22.990 2 Na 0.43142177618215 0.25077805801922 0.60164644885441 22.990 3 Na 0.35445499159700 0.73835873672754 0.19638732666614 22.990 4 Na 0.64554500840300 0.26164126327247 0.80361267333386 22.990 5 Na 0.56857822381785 0.75077805801922 0.89835355114559 22.990 6 Na 0.35445499159700 0.76164126327246 0.69638732666614 22.990 7 Na 0.64554500840300 0.23835873672753 0.30361267333386 22.990 8 Na 0.04316120927349 0.60252577343656 0.18677295148236 22.990 9 Na 0.12900377818872 0.24472963901109 0.53297715899006 22.990 10 Na 0.95683879072651 0.10252577343656 0.31322704851764 22.990 11 Na 0.43142177618215 0.24922194198078 0.10164644885441 22.990 12 Na 0.95683879072651 0.39747422656344 0.81322704851764 22.990 13 Na 0.56857822381785 0.74922194198078 0.39835355114559 22.990 14 Na 0.12900377818872 0.25527036098891 0.03297715899006 22.990 15 Na 0.87099622181128 0.74472963901109 0.96702284100994 22.990 16 Na 0.87099622181128 0.75527036098891 0.46702284100994 22.990 17 Te 0.29138502840063 0.27565719606109 0.81631875198811 127.600 18 Te 0.70861497159937 0.72434280393891 0.18368124801189 127.600 19 Te 0.70861497159937 0.77565719606109 0.68368124801189 127.600 20 Te 0.22338608553010 0.72390545038433 0.42230031402723 127.600 21 Te 0.77661391446990 0.27609454961567 0.57769968597277 127.600 22 Te 0.77661391446990 0.22390545038433 0.07769968597277 127.600 23 Te 0.22338608553010 0.77609454961567 0.92230031402723 127.600 24 Te 0.29138502840063 0.22434280393891 0.31631875198811 127.600 25 O 0.18437094179394 0.90455985438362 0.28625936345671 15.999 26 O 0.23570120834279 0.36252670407793 0.18952110571197 15.999 27 O 0.13841565213828 0.40232279854120 0.35538299867455 15.999 28 O 0.67697803283770 0.54903611875890 0.04844703164386 15.999 29 O 0.06834731548171 0.64882208863681 0.94175174945087 15.999 30 O 0.32302196716230 0.04903611875890 0.45155296835614 15.999 31 O 0.44303388710866 0.41663180765959 0.79523810335999 15.999 32 O 0.71989852319014 0.08137557059671 0.95313166514454 15.999 33 O 0.13841565213828 0.09767720145880 0.85538299867455 15.999 34 O 0.76429879165721 0.86252670407793 0.31047889428803 15.999 35 O 0.28010147680986 0.91862442940329 0.04686833485546 15.999 36 O 0.32302196716230 0.45096388124110 0.95155296835614 15.999 37 O 0.18437094179394 0.59544014561638 0.78625936345671 15.999 38 O 0.76429879165721 0.63747329592207 0.81047889428803 15.999 39 O 0.62962516595548 0.45084594182898 0.62295574889077 15.999 40 O 0.71989852319014 0.41862442940329 0.45313166514454 15.999 41 O 0.81562905820606 0.40455985438362 0.21374063654329 15.999 42 O 0.67697803283770 0.95096388124110 0.54844703164386 15.999 43 O 0.93165268451829 0.14882208863681 0.55824825054913 15.999 44 O 0.37037483404452 0.95084594182897 0.87704425110923 15.999 45 O 0.55696611289134 0.58336819234041 0.20476189664001 15.999 46 O 0.81562905820606 0.09544014561638 0.71374063654329 15.999 47 O 0.28010147680986 0.58137557059671 0.54686833485546 15.999 48 O 0.86158434786172 0.90232279854120 0.14461700132545 15.999 49 O 0.55696611289134 0.91663180765959 0.70476189664001 15.999 50 O 0.06834731548171 0.85117791136319 0.44175174945087 15.999 51 O 0.86158434786172 0.59767720145880 0.64461700132545 15.999 52 O 0.93165268451829 0.35117791136319 0.05824825054913 15.999 53 O 0.37037483404452 0.54915405817103 0.37704425110923 15.999 54 O 0.62962516595548 0.04915405817103 0.12295574889077 15.999 55 O 0.44303388710866 0.08336819234041 0.29523810335999 15.999 56 O 0.23570120834279 0.13747329592207 0.68952110571197 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.656811380265536 0.000000000000000 0.000000000000000 b 0.000000000000000 10.397455160000000 0.000000000000000 c -3.213531173970128 0.000000000000000 13.513155564944089 Atomic positions (fractional): 1 Na 0.04316120927349 0.44873711328172 0.68677295148236 22.990 > 1 2 Na 0.04316120927349 0.94873711328172 0.68677295148236 22.990 > 1 3 Na 0.43142177618215 0.12538902900961 0.60164644885441 22.990 > 3 4 Na 0.43142177618215 0.62538902900961 0.60164644885441 22.990 > 3 5 Na 0.35445499159700 0.36917936836377 0.19638732666614 22.990 > 5 6 Na 0.35445499159700 0.86917936836377 0.19638732666614 22.990 > 5 7 Na 0.64554500840300 0.13082063163623 0.80361267333386 22.990 > 7 8 Na 0.64554500840300 0.63082063163623 0.80361267333386 22.990 > 7 9 Na 0.56857822381785 0.37538902900961 0.89835355114559 22.990 > 9 10 Na 0.56857822381785 0.87538902900961 0.89835355114559 22.990 > 9 11 Na 0.35445499159700 0.38082063163623 0.69638732666614 22.990 > 11 12 Na 0.35445499159700 0.88082063163623 0.69638732666614 22.990 > 11 13 Na 0.64554500840300 0.11917936836377 0.30361267333386 22.990 > 13 14 Na 0.64554500840300 0.61917936836377 0.30361267333386 22.990 > 13 15 Na 0.04316120927349 0.30126288671828 0.18677295148236 22.990 > 15 16 Na 0.04316120927349 0.80126288671828 0.18677295148236 22.990 > 15 17 Na 0.12900377818872 0.12236481950555 0.53297715899006 22.990 > 17 18 Na 0.12900377818872 0.62236481950555 0.53297715899006 22.990 > 17 19 Na 0.95683879072651 0.05126288671828 0.31322704851764 22.990 > 19 20 Na 0.95683879072651 0.55126288671828 0.31322704851764 22.990 > 19 21 Na 0.43142177618215 0.12461097099039 0.10164644885441 22.990 > 21 22 Na 0.43142177618215 0.62461097099039 0.10164644885441 22.990 > 21 23 Na 0.95683879072651 0.19873711328172 0.81322704851764 22.990 > 23 24 Na 0.95683879072651 0.69873711328172 0.81322704851764 22.990 > 23 25 Na 0.56857822381785 0.37461097099039 0.39835355114559 22.990 > 25 26 Na 0.56857822381785 0.87461097099039 0.39835355114559 22.990 > 25 27 Na 0.12900377818872 0.12763518049445 0.03297715899006 22.990 > 27 28 Na 0.12900377818872 0.62763518049445 0.03297715899006 22.990 > 27 29 Na 0.87099622181128 0.37236481950555 0.96702284100994 22.990 > 29 30 Na 0.87099622181128 0.87236481950555 0.96702284100994 22.990 > 29 31 Na 0.87099622181128 0.37763518049445 0.46702284100994 22.990 > 31 32 Na 0.87099622181128 0.87763518049445 0.46702284100994 22.990 > 31 33 Te 0.29138502840063 0.13782859803054 0.81631875198811 127.600 > 33 34 Te 0.29138502840063 0.63782859803054 0.81631875198811 127.600 > 33 35 Te 0.70861497159937 0.36217140196946 0.18368124801189 127.600 > 35 36 Te 0.70861497159937 0.86217140196946 0.18368124801189 127.600 > 35 37 Te 0.70861497159937 0.38782859803054 0.68368124801189 127.600 > 37 38 Te 0.70861497159937 0.88782859803054 0.68368124801189 127.600 > 37 39 Te 0.22338608553010 0.36195272519216 0.42230031402723 127.600 > 39 40 Te 0.22338608553010 0.86195272519216 0.42230031402723 127.600 > 39 41 Te 0.77661391446990 0.13804727480784 0.57769968597277 127.600 > 41 42 Te 0.77661391446990 0.63804727480784 0.57769968597277 127.600 > 41 43 Te 0.77661391446990 0.11195272519216 0.07769968597277 127.600 > 43 44 Te 0.77661391446990 0.61195272519216 0.07769968597277 127.600 > 43 45 Te 0.22338608553010 0.38804727480784 0.92230031402723 127.600 > 45 46 Te 0.22338608553010 0.88804727480784 0.92230031402723 127.600 > 45 47 Te 0.29138502840063 0.11217140196946 0.31631875198811 127.600 > 47 48 Te 0.29138502840063 0.61217140196946 0.31631875198811 127.600 > 47 49 O 0.18437094179394 0.45227992719181 0.28625936345671 15.999 > 49 50 O 0.18437094179394 0.95227992719181 0.28625936345671 15.999 > 49 51 O 0.23570120834279 0.18126335203896 0.18952110571197 15.999 > 51 52 O 0.23570120834279 0.68126335203896 0.18952110571197 15.999 > 51 53 O 0.13841565213828 0.20116139927060 0.35538299867455 15.999 > 53 54 O 0.13841565213828 0.70116139927060 0.35538299867455 15.999 > 53 55 O 0.67697803283770 0.27451805937945 0.04844703164386 15.999 > 55 56 O 0.67697803283770 0.77451805937945 0.04844703164386 15.999 > 55 57 O 0.06834731548171 0.32441104431841 0.94175174945087 15.999 > 57 58 O 0.06834731548171 0.82441104431841 0.94175174945087 15.999 > 57 59 O 0.32302196716230 0.02451805937945 0.45155296835614 15.999 > 59 60 O 0.32302196716230 0.52451805937945 0.45155296835614 15.999 > 59 61 O 0.44303388710866 0.20831590382980 0.79523810335999 15.999 > 61 62 O 0.44303388710866 0.70831590382980 0.79523810335999 15.999 > 61 63 O 0.71989852319014 0.04068778529835 0.95313166514454 15.999 > 63 64 O 0.71989852319014 0.54068778529835 0.95313166514454 15.999 > 63 65 O 0.13841565213828 0.04883860072940 0.85538299867455 15.999 > 65 66 O 0.13841565213828 0.54883860072940 0.85538299867455 15.999 > 65 67 O 0.76429879165721 0.43126335203896 0.31047889428803 15.999 > 67 68 O 0.76429879165721 0.93126335203896 0.31047889428803 15.999 > 67 69 O 0.28010147680986 0.45931221470165 0.04686833485546 15.999 > 69 70 O 0.28010147680986 0.95931221470165 0.04686833485546 15.999 > 69 71 O 0.32302196716230 0.22548194062055 0.95155296835614 15.999 > 71 72 O 0.32302196716230 0.72548194062055 0.95155296835614 15.999 > 71 73 O 0.18437094179394 0.29772007280819 0.78625936345671 15.999 > 73 74 O 0.18437094179394 0.79772007280819 0.78625936345671 15.999 > 73 75 O 0.76429879165721 0.31873664796104 0.81047889428803 15.999 > 75 76 O 0.76429879165721 0.81873664796104 0.81047889428803 15.999 > 75 77 O 0.62962516595548 0.22542297091449 0.62295574889077 15.999 > 77 78 O 0.62962516595548 0.72542297091449 0.62295574889077 15.999 > 77 79 O 0.71989852319014 0.20931221470165 0.45313166514454 15.999 > 79 80 O 0.71989852319014 0.70931221470165 0.45313166514454 15.999 > 79 81 O 0.81562905820606 0.20227992719181 0.21374063654329 15.999 > 81 82 O 0.81562905820606 0.70227992719181 0.21374063654329 15.999 > 81 83 O 0.67697803283770 0.47548194062055 0.54844703164386 15.999 > 83 84 O 0.67697803283770 0.97548194062055 0.54844703164386 15.999 > 83 85 O 0.93165268451829 0.07441104431841 0.55824825054913 15.999 > 85 86 O 0.93165268451829 0.57441104431841 0.55824825054913 15.999 > 85 87 O 0.37037483404452 0.47542297091449 0.87704425110923 15.999 > 87 88 O 0.37037483404452 0.97542297091449 0.87704425110923 15.999 > 87 89 O 0.55696611289134 0.29168409617020 0.20476189664001 15.999 > 89 90 O 0.55696611289134 0.79168409617020 0.20476189664001 15.999 > 89 91 O 0.81562905820606 0.04772007280819 0.71374063654329 15.999 > 91 92 O 0.81562905820606 0.54772007280819 0.71374063654329 15.999 > 91 93 O 0.28010147680986 0.29068778529835 0.54686833485546 15.999 > 93 94 O 0.28010147680986 0.79068778529835 0.54686833485546 15.999 > 93 95 O 0.86158434786172 0.45116139927060 0.14461700132545 15.999 > 95 96 O 0.86158434786172 0.95116139927060 0.14461700132545 15.999 > 95 97 O 0.55696611289134 0.45831590382980 0.70476189664001 15.999 > 97 98 O 0.55696611289134 0.95831590382980 0.70476189664001 15.999 > 97 99 O 0.06834731548171 0.42558895568159 0.44175174945087 15.999 > 99 100 O 0.06834731548171 0.92558895568159 0.44175174945087 15.999 > 99 101 O 0.86158434786172 0.29883860072940 0.64461700132545 15.999 > 101 102 O 0.86158434786172 0.79883860072940 0.64461700132545 15.999 > 101 103 O 0.93165268451829 0.17558895568159 0.05824825054913 15.999 > 103 104 O 0.93165268451829 0.67558895568159 0.05824825054913 15.999 > 103 105 O 0.37037483404452 0.27457702908551 0.37704425110923 15.999 > 105 106 O 0.37037483404452 0.77457702908551 0.37704425110923 15.999 > 105 107 O 0.62962516595548 0.02457702908551 0.12295574889077 15.999 > 107 108 O 0.62962516595548 0.52457702908551 0.12295574889077 15.999 > 107 109 O 0.44303388710866 0.04168409617020 0.29523810335999 15.999 > 109 110 O 0.44303388710866 0.54168409617020 0.29523810335999 15.999 > 109 111 O 0.23570120834279 0.06873664796104 0.68952110571197 15.999 > 111 112 O 0.23570120834279 0.56873664796104 0.68952110571197 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8915075 0.0000000 -0.2157642 0.0000000 3.5759367 0.0000000 -0.2157932 0.0000000 3.0125027 -------------------------- Born effective charges -------------------------- 1 Na 1.2567899 -0.0087550 0.2472771 0.0612628 1.0389053 -0.0849731 0.2372812 0.0096441 1.0596597 2 Na 1.2250672 -0.0721338 0.0700575 -0.0471529 1.0554878 -0.0226725 0.0826557 -0.0536542 1.2247102 3 Na 1.0473889 -0.0806985 -0.1455944 0.0679057 1.0290810 0.0518504 -0.1593597 -0.0748166 1.1701884 4 Na 1.0473889 -0.0806985 -0.1455944 0.0679057 1.0290810 0.0518504 -0.1593597 -0.0748166 1.1701884 5 Na 1.2250672 0.0721338 0.0700575 0.0471529 1.0554878 0.0226725 0.0826557 0.0536542 1.2247102 6 Na 1.0473889 0.0806985 -0.1455944 -0.0679057 1.0290810 -0.0518504 -0.1593597 0.0748166 1.1701884 7 Na 1.0473889 0.0806985 -0.1455944 -0.0679057 1.0290810 -0.0518504 -0.1593597 0.0748166 1.1701884 8 Na 1.2567899 0.0087550 0.2472771 -0.0612628 1.0389053 0.0849731 0.2372812 -0.0096441 1.0596597 9 Na 1.1337821 0.0497113 -0.1834231 0.0511264 1.0322822 0.0736856 -0.1749884 -0.0622839 1.1861026 10 Na 1.2567899 -0.0087550 0.2472771 0.0612628 1.0389053 -0.0849731 0.2372812 0.0096441 1.0596597 11 Na 1.2250672 0.0721338 0.0700575 0.0471529 1.0554878 0.0226725 0.0826557 0.0536542 1.2247102 12 Na 1.2567899 0.0087550 0.2472771 -0.0612628 1.0389053 0.0849731 0.2372812 -0.0096441 1.0596597 13 Na 1.2250672 -0.0721338 0.0700575 -0.0471529 1.0554878 -0.0226725 0.0826557 -0.0536542 1.2247102 14 Na 1.1337821 -0.0497113 -0.1834231 -0.0511264 1.0322822 -0.0736856 -0.1749884 0.0622839 1.1861026 15 Na 1.1337821 -0.0497113 -0.1834231 -0.0511264 1.0322822 -0.0736856 -0.1749884 0.0622839 1.1861026 16 Na 1.1337821 0.0497113 -0.1834231 0.0511264 1.0322822 0.0736856 -0.1749884 -0.0622839 1.1861026 17 Te 3.4465952 0.1098437 -0.5226484 -0.0250572 5.6878709 0.0389064 -0.4876917 0.1280720 3.6893887 18 Te 3.4465952 0.1098437 -0.5226484 -0.0250572 5.6878709 0.0389064 -0.4876917 0.1280720 3.6893887 19 Te 3.4465952 -0.1098437 -0.5226484 0.0250572 5.6878709 -0.0389064 -0.4876917 -0.1280720 3.6893887 20 Te 3.3527961 -0.1443712 -0.3850964 -0.0763344 5.7215595 0.0619434 -0.4450500 -0.1042910 3.6397128 21 Te 3.3527961 -0.1443712 -0.3850964 -0.0763344 5.7215595 0.0619434 -0.4450500 -0.1042910 3.6397128 22 Te 3.3527961 0.1443712 -0.3850964 0.0763344 5.7215595 -0.0619434 -0.4450500 0.1042910 3.6397128 23 Te 3.3527961 0.1443712 -0.3850964 0.0763344 5.7215595 -0.0619434 -0.4450500 0.1042910 3.6397128 24 Te 3.4465952 -0.1098437 -0.5226484 0.0250572 5.6878709 -0.0389064 -0.4876917 -0.1280720 3.6893887 25 O -1.3014276 -0.4269139 0.1037449 -0.4654890 -2.4434220 0.4015520 0.1084901 0.2930336 -1.4577525 26 O -1.2173715 0.0466281 0.0132460 0.0820044 -1.4466791 0.0565854 0.0445869 0.2875558 -2.0208693 27 O -1.4186949 0.1682280 0.1216188 0.2761184 -2.4419417 -0.5830652 0.1149704 -0.4688301 -1.3410010 28 O -1.1778141 0.4084868 0.1300842 0.4553672 -2.4051195 -0.4643162 0.1471108 -0.3198700 -1.5077972 29 O -1.9417874 -0.3031316 0.1902044 -0.1106355 -1.4691504 -0.0187871 0.1762586 0.0395425 -1.2032554 30 O -1.1778141 -0.4084868 0.1300842 -0.4553672 -2.4051195 0.4643162 0.1471108 0.3198700 -1.5077972 31 O -1.9219465 -0.2724369 0.2195901 -0.0775256 -1.4573524 -0.0646612 0.1979206 0.0239967 -1.2119435 32 O -1.0911050 -0.0584209 -0.0797483 -0.0882784 -1.4688162 -0.0626534 -0.0435528 -0.2962636 -1.9352125 33 O -1.4186949 -0.1682280 0.1216188 -0.2761184 -2.4419417 0.5830652 0.1149704 0.4688301 -1.3410010 34 O -1.2173715 -0.0466281 0.0132460 -0.0820044 -1.4466791 -0.0565854 0.0445869 -0.2875558 -2.0208693 35 O -1.0911050 -0.0584209 -0.0797483 -0.0882784 -1.4688162 -0.0626534 -0.0435528 -0.2962636 -1.9352125 36 O -1.1778141 0.4084868 0.1300842 0.4553672 -2.4051195 -0.4643162 0.1471108 -0.3198700 -1.5077972 37 O -1.3014276 0.4269139 0.1037449 0.4654890 -2.4434220 -0.4015520 0.1084901 -0.2930336 -1.4577525 38 O -1.2173715 0.0466281 0.0132460 0.0820044 -1.4466791 0.0565854 0.0445869 0.2875558 -2.0208693 39 O -1.3922724 0.1922585 0.2206876 0.3052808 -2.4327054 -0.5891502 0.2013684 -0.5043666 -1.2919310 40 O -1.0911050 0.0584209 -0.0797483 0.0882784 -1.4688162 0.0626534 -0.0435528 0.2962636 -1.9352125 41 O -1.3014276 0.4269139 0.1037449 0.4654890 -2.4434220 -0.4015520 0.1084901 -0.2930336 -1.4577525 42 O -1.1778141 -0.4084868 0.1300842 -0.4553672 -2.4051195 0.4643162 0.1471108 0.3198700 -1.5077972 43 O -1.9417874 0.3031316 0.1902044 0.1106355 -1.4691504 0.0187871 0.1762586 -0.0395425 -1.2032554 44 O -1.3922724 -0.1922585 0.2206876 -0.3052808 -2.4327054 0.5891502 0.2013684 0.5043666 -1.2919310 45 O -1.9219465 -0.2724369 0.2195901 -0.0775256 -1.4573524 -0.0646612 0.1979206 0.0239967 -1.2119435 46 O -1.3014276 -0.4269139 0.1037449 -0.4654890 -2.4434220 0.4015520 0.1084901 0.2930336 -1.4577525 47 O -1.0911050 0.0584209 -0.0797483 0.0882784 -1.4688162 0.0626534 -0.0435528 0.2962636 -1.9352125 48 O -1.4186949 -0.1682280 0.1216188 -0.2761184 -2.4419417 0.5830652 0.1149704 0.4688301 -1.3410010 49 O -1.9219465 0.2724369 0.2195901 0.0775256 -1.4573524 0.0646612 0.1979206 -0.0239967 -1.2119435 50 O -1.9417874 0.3031316 0.1902044 0.1106355 -1.4691504 0.0187871 0.1762586 -0.0395425 -1.2032554 51 O -1.4186949 0.1682280 0.1216188 0.2761184 -2.4419417 -0.5830652 0.1149704 -0.4688301 -1.3410010 52 O -1.9417874 -0.3031316 0.1902044 -0.1106355 -1.4691504 -0.0187871 0.1762586 0.0395425 -1.2032554 53 O -1.3922724 0.1922585 0.2206876 0.3052808 -2.4327054 -0.5891502 0.2013684 -0.5043666 -1.2919310 54 O -1.3922724 -0.1922585 0.2206876 -0.3052808 -2.4327054 0.5891502 0.2013684 0.5043666 -1.2919310 55 O -1.9219465 0.2724369 0.2195901 0.0775256 -1.4573524 0.0646612 0.1979206 -0.0239967 -1.2119435 56 O -1.2173715 -0.0466281 0.0132460 -0.0820044 -1.4466791 -0.0565854 0.0445869 -0.2875558 -2.0208693 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 309, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/66) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 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 1.399 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.375 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.215 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.110 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.207 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.375 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 7.878 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.199 ( 0.000 0.000 0.000) 0.000 8.202 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.676 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 9.386 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.426 ( 0.000 0.000 0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 9.889 ( 0.000 0.000 0.000) 0.000 9.899 ( 0.000 0.000 0.000) 0.000 9.899 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.057 ( 0.000 0.000 0.000) 0.000 10.583 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 10.984 ( 0.000 0.000 0.000) 0.000 10.986 ( 0.000 0.000 0.000) 0.000 11.010 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.106 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.185 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.454 ( 0.000 0.000 0.000) 0.000 11.863 ( 0.000 0.000 0.000) 0.000 11.977 ( 0.000 0.000 0.000) 0.000 12.041 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 13.983 ( 0.000 0.000 0.000) 0.000 13.998 ( 0.000 0.000 0.000) 0.000 14.011 ( 0.000 0.000 0.000) 0.000 14.088 ( 0.000 0.000 0.000) 0.000 14.654 ( 0.000 0.000 0.000) 0.000 14.682 ( 0.000 0.000 0.000) 0.000 14.720 ( 0.000 0.000 0.000) 0.000 14.759 ( 0.000 0.000 0.000) 0.000 14.835 ( 0.000 0.000 0.000) 0.000 14.838 ( 0.000 0.000 0.000) 0.000 14.924 ( 0.000 0.000 0.000) 0.000 15.021 ( 0.000 0.000 0.000) 0.000 15.219 ( 0.000 0.000 0.000) 0.000 15.381 ( 0.000 0.000 0.000) 0.000 15.490 ( 0.000 0.000 0.000) 0.000 15.614 ( 0.000 0.000 0.000) 0.000 16.347 ( 0.000 0.000 0.000) 0.000 16.858 ( 0.000 0.000 0.000) 0.000 17.077 ( 0.000 0.000 0.000) 0.000 17.172 ( 0.000 0.000 0.000) 0.000 17.299 ( 0.000 0.000 0.000) 0.000 17.685 ( 0.000 0.000 0.000) 0.000 17.732 ( 0.000 0.000 0.000) 0.000 17.805 ( 0.000 0.000 0.000) 0.000 17.959 ( 0.000 0.000 0.000) 0.000 18.051 ( 0.000 0.000 0.000) 0.000 18.057 ( 0.000 0.000 0.000) 0.000 18.109 ( 0.000 0.000 0.000) 0.000 18.650 ( 0.000 0.000 0.000) 0.000 18.655 ( 0.000 0.000 0.000) 0.000 18.715 ( 0.000 0.000 0.000) 0.000 18.727 ( 0.000 0.000 0.000) 0.000 21.596 ( 0.000 0.000 0.000) 0.000 21.709 ( 0.000 0.000 0.000) 0.000 21.726 ( 0.000 0.000 0.000) 0.000 21.894 ( 0.000 0.000 0.000) 0.000 22.136 ( 0.000 0.000 0.000) 0.000 22.314 ( 0.000 0.000 0.000) 0.000 22.334 ( 0.000 0.000 0.000) 0.000 22.618 ( 0.000 0.000 0.000) 0.000 22.694 ( 0.000 0.000 0.000) 0.000 22.839 ( 0.000 0.000 0.000) 0.000 22.883 ( 0.000 0.000 0.000) 0.000 23.050 ( 0.000 0.000 0.000) 0.000 23.111 ( 0.000 0.000 0.000) 0.000 23.226 ( 0.000 0.000 0.000) 0.000 23.350 ( 0.000 0.000 0.000) 0.000 23.469 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/66) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 25.664 0.000 -4.014) 25.976 0.475 ( 23.978 0.000 5.038) 24.502 0.868 ( 42.348 0.000 10.992) 43.751 1.403 ( -3.812 0.000 10.440) 11.114 1.552 ( -9.573 0.000 -2.032) 9.786 1.617 ( -8.537 0.000 3.406) 9.191 1.692 ( -9.530 0.000 0.625) 9.551 1.761 ( -8.361 0.000 -2.097) 8.620 1.833 ( -10.475 0.000 -10.660) 14.945 1.920 ( 4.533 0.000 -4.526) 6.406 2.294 ( -4.219 0.000 -9.074) 10.007 2.389 ( 5.285 0.000 5.575) 7.682 2.441 ( 3.452 0.000 5.544) 6.531 2.627 ( 4.458 0.000 1.675) 4.763 2.640 ( -2.804 0.000 0.638) 2.876 2.812 ( 2.758 0.000 -3.400) 4.378 3.146 ( -8.941 0.000 -6.483) 11.044 3.257 ( -3.137 0.000 -1.541) 3.495 3.339 ( -2.895 0.000 -0.181) 2.901 3.409 ( 0.333 0.000 2.115) 2.141 3.466 ( 3.225 0.000 -14.593) 14.945 3.574 ( 6.755 0.000 0.808) 6.804 3.589 ( -2.821 0.000 -2.258) 3.613 3.899 ( -4.012 0.000 0.820) 4.095 3.921 ( -3.550 0.000 -1.611) 3.898 4.026 ( -7.308 0.000 2.342) 7.674 4.035 ( -4.723 0.000 0.259) 4.730 4.236 ( 6.882 0.000 -2.877) 7.459 4.272 ( 6.055 0.000 1.416) 6.219 4.299 ( 7.425 0.000 -2.259) 7.761 4.446 ( 0.971 0.000 -4.906) 5.001 4.647 ( -1.809 0.000 0.785) 1.971 4.682 ( -3.604 0.000 1.864) 4.057 4.693 ( 1.854 0.000 3.854) 4.277 4.766 ( 3.470 0.000 -1.785) 3.902 4.858 ( 1.082 0.000 2.307) 2.548 4.980 ( 4.377 0.000 2.215) 4.905 4.994 ( 10.103 0.000 -1.126) 10.166 5.040 ( 5.542 0.000 6.067) 8.217 5.128 ( -3.210 0.000 -6.507) 7.256 5.151 ( -10.370 0.000 -5.702) 11.835 5.180 ( 0.284 0.000 -1.822) 1.844 5.307 ( -2.824 0.000 4.167) 5.033 5.389 ( -0.452 0.000 0.916) 1.022 5.391 ( 1.079 0.000 0.172) 1.093 5.542 ( 1.530 0.000 0.719) 1.691 5.569 ( 0.475 0.000 4.436) 4.462 5.656 ( 0.572 0.000 0.715) 0.916 5.715 ( -3.786 0.000 -4.395) 5.800 5.729 ( 1.077 0.000 -0.307) 1.120 5.791 ( 0.629 0.000 -1.981) 2.078 5.882 ( -1.158 0.000 1.422) 1.834 5.897 ( 2.537 0.000 -4.748) 5.384 5.944 ( -0.459 0.000 2.077) 2.127 6.032 ( -2.336 0.000 3.161) 3.931 6.076 ( -1.034 0.000 -1.020) 1.452 6.117 ( 1.630 0.000 -1.599) 2.283 6.126 ( -4.963 0.000 0.403) 4.979 6.230 ( 6.103 0.000 -7.490) 9.662 6.340 ( 9.311 0.000 4.768) 10.461 6.381 ( -0.628 0.000 -0.478) 0.789 6.393 ( 3.745 0.000 -0.795) 3.829 6.543 ( -0.689 0.000 0.060) 0.691 6.616 ( -0.869 0.000 4.320) 4.407 6.638 ( -0.705 0.000 3.826) 3.891 6.689 ( -1.661 0.000 3.497) 3.871 6.922 ( -0.306 0.000 -5.558) 5.567 6.992 ( -1.881 0.000 -2.287) 2.961 7.051 ( -1.776 0.000 -1.781) 2.515 7.140 ( 0.372 0.000 2.058) 2.092 7.194 ( -0.621 0.000 4.046) 4.094 7.243 ( -7.233 0.000 3.588) 8.074 7.405 ( 9.189 0.000 3.716) 9.912 7.409 ( 4.152 0.000 -2.967) 5.103 7.530 ( -8.067 0.000 0.768) 8.103 7.664 ( -2.893 0.000 -2.992) 4.162 7.793 ( -0.019 0.000 -2.935) 2.935 7.864 ( -1.914 0.000 2.629) 3.252 7.910 ( 0.764 0.000 0.143) 0.777 8.054 ( -2.437 0.000 5.890) 6.374 8.134 ( 0.556 0.000 0.896) 1.055 8.158 ( -2.443 0.000 -2.463) 3.469 8.189 ( -3.246 0.000 0.303) 3.260 8.285 ( 0.021 0.000 -0.861) 0.861 8.320 ( 0.336 0.000 -1.831) 1.861 8.369 ( 2.369 0.000 -2.100) 3.166 8.499 ( -2.859 0.000 0.219) 2.867 8.526 ( -1.228 0.000 -0.485) 1.320 8.553 ( 1.690 0.000 -0.408) 1.738 8.669 ( -0.763 0.000 0.204) 0.789 8.716 ( 0.381 0.000 1.371) 1.423 8.721 ( 1.283 0.000 0.685) 1.455 9.376 ( -1.029 0.000 0.474) 1.133 9.390 ( 0.879 0.000 -2.311) 2.472 9.443 ( -1.078 0.000 4.337) 4.469 9.473 ( 1.391 0.000 0.001) 1.391 9.685 ( 0.253 0.000 -0.537) 0.594 9.794 ( -0.238 0.000 -1.090) 1.116 9.829 ( -0.915 0.000 10.920) 10.958 9.871 ( -1.481 0.000 0.544) 1.578 9.942 ( -1.925 0.000 6.473) 6.753 9.949 ( 3.148 0.000 2.684) 4.136 10.019 ( -2.166 0.000 -2.196) 3.084 10.066 ( 0.983 0.000 -0.836) 1.291 10.801 ( 10.433 0.000 -40.656) 41.973 10.844 ( -0.609 0.000 2.951) 3.013 10.890 ( 0.668 0.000 1.669) 1.797 10.950 ( -3.313 0.000 1.429) 3.608 10.986 ( -0.124 0.000 -0.593) 0.606 11.012 ( -1.459 0.000 -3.753) 4.027 11.021 ( 1.119 0.000 -1.327) 1.736 11.100 ( 2.694 0.000 1.100) 2.910 11.109 ( 0.169 0.000 0.632) 0.654 11.222 ( -1.371 0.000 0.118) 1.376 11.315 ( 7.125 0.000 3.846) 8.097 11.413 ( -3.862 0.000 -0.521) 3.897 11.886 ( 1.775 0.000 2.033) 2.699 11.965 ( -0.644 0.000 -1.382) 1.525 12.028 ( -1.089 0.000 -1.283) 1.683 12.091 ( 0.858 0.000 0.499) 0.993 13.962 ( -1.030 0.000 -0.200) 1.049 14.004 ( -0.962 0.000 0.388) 1.038 14.027 ( 1.661 0.000 0.521) 1.741 14.101 ( 0.971 0.000 0.364) 1.037 14.639 ( -1.884 0.000 1.256) 2.264 14.673 ( -0.039 0.000 -1.467) 1.467 14.751 ( -0.984 0.000 3.298) 3.441 14.778 ( 1.169 0.000 0.691) 1.358 14.838 ( 0.025 0.000 -0.210) 0.211 14.852 ( 1.478 0.000 0.817) 1.688 14.975 ( 4.880 0.000 -0.372) 4.894 15.004 ( -1.067 0.000 -2.537) 2.752 15.246 ( 1.605 0.000 4.670) 4.938 15.407 ( -6.173 0.000 -1.404) 6.331 15.451 ( 2.055 0.000 -18.115) 18.231 15.673 ( 3.340 0.000 2.355) 4.087 16.686 ( -11.252 0.000 -6.163) 12.829 16.798 ( -5.656 0.000 33.017) 33.498 17.051 ( -2.083 0.000 -2.173) 3.010 17.300 ( 7.867 0.000 3.324) 8.540 17.535 ( -10.081 0.000 -2.057) 10.289 17.662 ( 2.070 0.000 -13.876) 14.029 17.726 ( 6.402 0.000 -21.838) 22.757 17.927 ( 2.639 0.000 0.098) 2.641 18.025 ( 0.573 0.000 -0.791) 0.977 18.049 ( -0.059 0.000 -0.601) 0.604 18.108 ( 0.450 0.000 -0.486) 0.662 18.149 ( 7.722 0.000 6.042) 9.805 18.647 ( -0.986 0.000 -0.645) 1.178 18.652 ( 0.134 0.000 -0.035) 0.138 18.721 ( -0.373 0.000 -0.039) 0.375 18.724 ( -0.043 0.000 0.283) 0.286 21.670 ( -3.007 0.000 -0.749) 3.099 21.744 ( 2.062 0.000 -1.059) 2.318 21.872 ( -6.225 0.000 21.060) 21.961 21.915 ( 2.290 0.000 -3.521) 4.201 22.254 ( -4.665 0.000 1.531) 4.910 22.334 ( 0.016 0.000 -0.039) 0.042 22.593 ( 0.540 0.000 -9.390) 9.406 22.689 ( 4.711 0.000 2.450) 5.310 22.822 ( -0.259 0.000 -1.366) 1.390 22.908 ( 1.488 0.000 -0.269) 1.513 23.072 ( 2.411 0.000 -0.969) 2.598 23.104 ( 0.452 0.000 -3.273) 3.304 23.233 ( -1.164 0.000 5.505) 5.627 23.258 ( -0.240 0.000 -2.185) 2.198 23.350 ( 0.261 0.000 -0.399) 0.477 23.470 ( -0.356 0.000 1.180) 1.232 ======================= Grid point 2 (3/66) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 22.701 0.000 -3.493) 22.969 0.933 ( 21.412 0.000 5.742) 22.168 1.267 ( -10.638 0.000 4.720) 11.638 1.374 ( -16.042 0.000 -6.455) 17.292 1.402 ( -12.918 0.000 2.427) 13.144 1.533 ( -1.397 0.000 1.023) 1.731 1.627 ( 1.791 0.000 2.643) 3.192 1.635 ( -4.891 0.000 -5.795) 7.583 1.657 ( 28.514 0.000 8.899) 29.871 1.969 ( 1.562 0.000 -1.956) 2.503 2.189 ( -2.642 0.000 -4.243) 4.999 2.344 ( -20.445 0.000 -1.926) 20.536 2.496 ( 3.117 0.000 2.201) 3.816 2.601 ( 2.632 0.000 2.384) 3.551 2.661 ( 0.056 0.000 -0.949) 0.951 2.840 ( 1.254 0.000 -3.155) 3.396 3.024 ( -1.588 0.000 -2.019) 2.569 3.208 ( -1.433 0.000 -0.253) 1.455 3.284 ( -1.929 0.000 0.721) 2.060 3.434 ( 0.886 0.000 1.237) 1.521 3.465 ( 1.771 0.000 -4.207) 4.565 3.512 ( -3.637 0.000 -1.670) 4.002 3.689 ( 4.335 0.000 -0.063) 4.336 3.835 ( -2.735 0.000 0.469) 2.775 3.857 ( -1.660 0.000 -1.947) 2.559 3.929 ( -3.763 0.000 3.405) 5.075 3.963 ( -2.245 0.000 -0.030) 2.245 4.354 ( 7.096 0.000 -6.939) 9.924 4.406 ( 6.336 0.000 0.776) 6.384 4.410 ( 1.510 0.000 5.917) 6.107 4.448 ( 1.789 0.000 -2.391) 2.986 4.569 ( -6.423 0.000 0.865) 6.481 4.617 ( -2.150 0.000 1.151) 2.438 4.743 ( 1.380 0.000 1.983) 2.416 4.816 ( 1.861 0.000 -0.884) 2.061 4.882 ( -2.985 0.000 4.320) 5.251 4.969 ( -2.332 0.000 -4.928) 5.452 5.040 ( -2.499 0.000 -4.905) 5.505 5.101 ( 6.123 0.000 2.942) 6.793 5.155 ( 3.013 0.000 2.633) 4.001 5.176 ( 0.508 0.000 -3.119) 3.160 5.216 ( 12.773 0.000 -1.650) 12.879 5.235 ( -6.032 0.000 4.862) 7.748 5.405 ( -1.359 0.000 0.254) 1.383 5.428 ( 2.829 0.000 -0.051) 2.829 5.512 ( -7.900 0.000 1.012) 7.964 5.575 ( 1.081 0.000 0.022) 1.081 5.653 ( 1.936 0.000 -1.682) 2.565 5.671 ( 0.231 0.000 3.397) 3.405 5.738 ( 0.998 0.000 -5.198) 5.293 5.783 ( -1.133 0.000 -1.071) 1.560 5.868 ( -5.832 0.000 8.306) 10.149 5.881 ( -0.008 0.000 -4.339) 4.339 5.896 ( 0.280 0.000 -3.651) 3.661 6.036 ( -3.368 0.000 3.163) 4.620 6.060 ( -0.616 0.000 -1.235) 1.380 6.062 ( 1.790 0.000 1.047) 2.073 6.134 ( 0.661 0.000 -1.475) 1.617 6.292 ( 2.566 0.000 -2.322) 3.461 6.371 ( -0.187 0.000 0.725) 0.749 6.502 ( 6.452 0.000 -1.555) 6.637 6.536 ( 1.061 0.000 -2.158) 2.405 6.540 ( 5.122 0.000 6.459) 8.244 6.610 ( -0.732 0.000 -4.591) 4.649 6.625 ( -6.240 0.000 3.730) 7.270 6.705 ( 9.666 0.000 3.893) 10.420 6.893 ( -0.195 0.000 -2.738) 2.745 6.930 ( -7.708 0.000 1.021) 7.776 7.062 ( -6.099 0.000 -1.627) 6.312 7.073 ( 3.230 0.000 -0.431) 3.259 7.159 ( -0.975 0.000 0.762) 1.237 7.202 ( -0.162 0.000 2.329) 2.335 7.353 ( -8.004 0.000 -0.469) 8.018 7.474 ( 2.626 0.000 -1.509) 3.029 7.580 ( 5.577 0.000 2.500) 6.112 7.630 ( 0.240 0.000 -1.021) 1.049 7.799 ( 1.803 0.000 -0.744) 1.951 7.823 ( -2.648 0.000 2.005) 3.321 7.906 ( -1.702 0.000 0.217) 1.716 8.042 ( -0.474 0.000 0.948) 1.060 8.083 ( -3.444 0.000 -3.014) 4.576 8.122 ( -1.742 0.000 -0.437) 1.796 8.148 ( 0.466 0.000 0.224) 0.517 8.293 ( 0.514 0.000 0.187) 0.547 8.347 ( 2.375 0.000 0.117) 2.378 8.390 ( 0.660 0.000 -1.006) 1.203 8.437 ( -3.212 0.000 -0.220) 3.220 8.500 ( -1.025 0.000 -0.003) 1.025 8.595 ( 2.550 0.000 -0.369) 2.576 8.647 ( -1.733 0.000 0.286) 1.757 8.727 ( 0.257 0.000 0.524) 0.584 8.747 ( 0.885 0.000 -0.068) 0.888 9.363 ( -0.473 0.000 0.241) 0.531 9.395 ( 0.581 0.000 -1.652) 1.751 9.442 ( -0.546 0.000 2.199) 2.265 9.495 ( 0.713 0.000 0.030) 0.714 9.687 ( 0.144 0.000 -0.330) 0.360 9.787 ( -0.248 0.000 -0.166) 0.298 9.854 ( -0.385 0.000 0.240) 0.454 9.874 ( 1.759 0.000 4.230) 4.582 9.934 ( -1.219 0.000 3.738) 3.932 9.957 ( -2.185 0.000 -4.471) 4.976 10.003 ( 1.271 0.000 1.049) 1.648 10.080 ( 0.659 0.000 -0.359) 0.750 10.810 ( 2.649 0.000 -10.430) 10.761 10.849 ( -0.040 0.000 1.697) 1.697 10.908 ( -1.386 0.000 1.163) 1.809 10.911 ( 0.821 0.000 0.112) 0.829 10.977 ( -0.123 0.000 -1.899) 1.903 10.984 ( -0.493 0.000 -0.167) 0.520 11.027 ( 0.073 0.000 -0.807) 0.811 11.129 ( 1.341 0.000 1.109) 1.740 11.189 ( 5.752 0.000 0.895) 5.822 11.189 ( -1.806 0.000 -0.159) 1.813 11.308 ( -5.897 0.000 -1.166) 6.011 11.435 ( 2.874 0.000 2.171) 3.602 11.937 ( 2.203 0.000 2.586) 3.397 11.950 ( -0.315 0.000 -0.699) 0.767 11.991 ( -1.860 0.000 -2.184) 2.869 12.106 ( 0.390 0.000 0.395) 0.555 13.949 ( -0.337 0.000 -0.068) 0.343 13.990 ( -0.410 0.000 0.011) 0.410 14.053 ( 0.717 0.000 0.272) 0.767 14.117 ( 0.487 0.000 0.166) 0.515 14.612 ( -0.977 0.000 0.334) 1.032 14.670 ( 0.069 0.000 -0.441) 0.447 14.749 ( -0.300 0.000 1.098) 1.138 14.801 ( 0.664 0.000 0.333) 0.742 14.840 ( 0.241 0.000 0.029) 0.243 14.884 ( 1.047 0.000 0.613) 1.214 14.973 ( -0.901 0.000 -1.396) 1.661 15.075 ( 4.913 0.000 -0.368) 4.926 15.287 ( -5.237 0.000 -0.339) 5.248 15.310 ( 2.012 0.000 7.136) 7.414 15.394 ( -1.087 0.000 -10.135) 10.193 15.727 ( 1.305 0.000 1.085) 1.697 16.494 ( -5.270 0.000 -3.199) 6.165 16.848 ( -0.110 0.000 11.086) 11.087 16.993 ( -1.963 0.000 -3.479) 3.995 17.394 ( -3.775 0.000 -0.770) 3.853 17.420 ( 3.078 0.000 1.521) 3.433 17.647 ( 0.576 0.000 -3.988) 4.030 17.740 ( 1.534 0.000 -4.904) 5.138 17.938 ( -0.087 0.000 -0.390) 0.400 18.033 ( 0.287 0.000 0.890) 0.935 18.044 ( -0.143 0.000 -0.977) 0.988 18.110 ( 0.051 0.000 -0.038) 0.064 18.314 ( 5.113 0.000 3.789) 6.364 18.611 ( -1.796 0.000 -1.145) 2.129 18.654 ( 0.081 0.000 -0.023) 0.084 18.720 ( 0.072 0.000 0.089) 0.115 18.724 ( -0.004 0.000 0.088) 0.088 21.620 ( -1.455 0.000 -0.648) 1.592 21.788 ( 3.509 0.000 -3.370) 4.865 21.838 ( -4.330 0.000 8.379) 9.432 21.931 ( 0.826 0.000 -2.211) 2.361 22.198 ( -1.706 0.000 1.337) 2.168 22.334 ( 0.007 0.000 -0.026) 0.027 22.564 ( -0.322 0.000 -2.757) 2.776 22.751 ( 0.841 0.000 0.562) 1.012 22.843 ( 1.991 0.000 1.459) 2.469 22.915 ( -0.233 0.000 -1.768) 1.783 23.098 ( 0.191 0.000 -1.298) 1.312 23.120 ( 2.347 0.000 -0.311) 2.368 23.208 ( -2.706 0.000 3.359) 4.314 23.262 ( 0.853 0.000 -1.697) 1.899 23.357 ( 0.445 0.000 -0.136) 0.465 23.466 ( -0.421 0.000 0.694) 0.812 ======================= Grid point 5 (4/66) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 23.218 0.000) 23.218 0.602 ( 0.000 30.779 0.000) 30.779 1.146 ( 0.000 55.943 0.000) 55.943 1.434 ( 0.000 4.422 0.000) 4.422 1.673 ( 0.000 0.805 0.000) 0.805 1.883 ( 0.000 1.227 0.000) 1.227 1.935 ( 0.000 18.000 0.000) 18.000 1.949 ( 0.000 5.189 0.000) 5.189 2.059 ( 0.000 19.082 0.000) 19.082 2.111 ( 0.000 17.699 0.000) 17.699 2.350 ( 0.000 2.344 0.000) 2.344 2.426 ( 0.000 8.035 0.000) 8.035 2.482 ( 0.000 6.242 0.000) 6.242 2.531 ( 0.000 3.871 0.000) 3.871 2.652 ( 0.000 0.637 0.000) 0.637 2.791 ( 0.000 1.985 0.000) 1.985 3.255 ( 0.000 -1.900 0.000) 1.900 3.279 ( 0.000 -6.893 0.000) 6.893 3.296 ( 0.000 -1.019 0.000) 1.019 3.360 ( 0.000 -5.732 0.000) 5.732 3.407 ( 0.000 0.733 0.000) 0.733 3.453 ( 0.000 -2.833 0.000) 2.833 3.660 ( 0.000 2.456 0.000) 2.456 3.782 ( 0.000 -10.146 0.000) 10.146 3.985 ( 0.000 1.057 0.000) 1.057 4.032 ( 0.000 -4.421 0.000) 4.421 4.099 ( 0.000 -3.892 0.000) 3.892 4.142 ( 0.000 -0.921 0.000) 0.921 4.216 ( 0.000 4.871 0.000) 4.871 4.365 ( 0.000 5.357 0.000) 5.357 4.389 ( 0.000 -5.342 0.000) 5.342 4.584 ( 0.000 -8.198 0.000) 8.198 4.611 ( 0.000 -2.756 0.000) 2.756 4.715 ( 0.000 -1.630 0.000) 1.630 4.737 ( 0.000 -1.042 0.000) 1.042 4.811 ( 0.000 -1.817 0.000) 1.817 4.888 ( 0.000 -0.929 0.000) 0.929 4.962 ( 0.000 3.335 0.000) 3.335 4.973 ( 0.000 1.712 0.000) 1.712 5.163 ( 0.000 -1.234 0.000) 1.234 5.184 ( 0.000 -4.776 0.000) 4.776 5.286 ( 0.000 -1.843 0.000) 1.843 5.362 ( 0.000 3.305 0.000) 3.305 5.377 ( 0.000 0.822 0.000) 0.822 5.442 ( 0.000 -0.587 0.000) 0.587 5.444 ( 0.000 -2.982 0.000) 2.982 5.542 ( 0.000 9.974 0.000) 9.974 5.599 ( 0.000 -6.458 0.000) 6.458 5.645 ( 0.000 -6.036 0.000) 6.036 5.663 ( 0.000 0.020 0.000) 0.020 5.754 ( 0.000 -3.696 0.000) 3.696 5.815 ( 0.000 -5.416 0.000) 5.416 5.881 ( 0.000 -5.034 0.000) 5.034 5.912 ( 0.000 -12.887 0.000) 12.887 6.040 ( 0.000 -0.069 0.000) 0.069 6.095 ( 0.000 13.274 0.000) 13.274 6.157 ( 0.000 -3.796 0.000) 3.796 6.173 ( 0.000 4.875 0.000) 4.875 6.223 ( 0.000 5.562 0.000) 5.562 6.264 ( 0.000 2.077 0.000) 2.077 6.282 ( 0.000 -4.484 0.000) 4.484 6.454 ( 0.000 2.989 0.000) 2.989 6.533 ( 0.000 0.997 0.000) 0.997 6.545 ( 0.000 -1.896 0.000) 1.896 6.612 ( 0.000 -0.474 0.000) 0.474 6.774 ( 0.000 3.863 0.000) 3.863 6.838 ( 0.000 -0.796 0.000) 0.796 6.960 ( 0.000 2.364 0.000) 2.364 7.028 ( 0.000 -0.918 0.000) 0.918 7.129 ( 0.000 -0.395 0.000) 0.395 7.171 ( 0.000 -1.637 0.000) 1.637 7.208 ( 0.000 -3.925 0.000) 3.925 7.255 ( 0.000 2.270 0.000) 2.270 7.375 ( 0.000 -0.208 0.000) 0.208 7.540 ( 0.000 -4.962 0.000) 4.962 7.610 ( 0.000 -8.210 0.000) 8.210 7.667 ( 0.000 -4.296 0.000) 4.296 7.733 ( 0.000 -4.630 0.000) 4.630 7.889 ( 0.000 0.175 0.000) 0.175 7.910 ( 0.000 0.146 0.000) 0.146 8.068 ( 0.000 -5.676 0.000) 5.676 8.139 ( 0.000 -4.843 0.000) 4.843 8.187 ( 0.000 -0.871 0.000) 0.871 8.231 ( 0.000 -4.321 0.000) 4.321 8.326 ( 0.000 0.557 0.000) 0.557 8.343 ( 0.000 -11.825 0.000) 11.825 8.367 ( 0.000 3.111 0.000) 3.111 8.522 ( 0.000 -0.193 0.000) 0.193 8.624 ( 0.000 5.620 0.000) 5.620 8.767 ( 0.000 6.809 0.000) 6.809 8.775 ( 0.000 5.803 0.000) 5.803 8.803 ( 0.000 7.781 0.000) 7.781 9.485 ( 0.000 1.483 0.000) 1.483 9.505 ( 0.000 4.833 0.000) 4.833 9.520 ( 0.000 6.127 0.000) 6.127 9.607 ( 0.000 -1.865 0.000) 1.865 9.650 ( 0.000 -6.727 0.000) 6.727 9.677 ( 0.000 -1.964 0.000) 1.964 9.855 ( 0.000 -1.630 0.000) 1.630 9.917 ( 0.000 -0.389 0.000) 0.389 10.033 ( 0.000 16.235 0.000) 16.235 10.187 ( 0.000 16.843 0.000) 16.843 10.289 ( 0.000 22.878 0.000) 22.878 10.497 ( 0.000 -25.096 0.000) 25.096 10.521 ( 0.000 -6.563 0.000) 6.563 10.659 ( 0.000 -19.518 0.000) 19.518 10.701 ( 0.000 -14.188 0.000) 14.188 10.948 ( 0.000 2.909 0.000) 2.909 11.070 ( 0.000 0.381 0.000) 0.381 11.095 ( 0.000 1.105 0.000) 1.105 11.126 ( 0.000 2.709 0.000) 2.709 11.161 ( 0.000 -2.825 0.000) 2.825 11.211 ( 0.000 3.360 0.000) 3.360 11.296 ( 0.000 5.767 0.000) 5.767 11.402 ( 0.000 -1.062 0.000) 1.062 11.932 ( 0.000 6.662 0.000) 6.662 12.068 ( 0.000 7.809 0.000) 7.809 12.137 ( 0.000 8.356 0.000) 8.356 12.201 ( 0.000 9.737 0.000) 9.737 12.734 ( 0.000 0.108 0.000) 0.108 14.027 ( 0.000 4.797 0.000) 4.797 14.075 ( 0.000 5.927 0.000) 5.927 14.176 ( 0.000 8.549 0.000) 8.549 14.413 ( 0.000 0.711 0.000) 0.711 14.692 ( 0.000 3.500 0.000) 3.500 14.711 ( 0.000 -1.829 0.000) 1.829 14.757 ( 0.000 -0.742 0.000) 0.742 14.802 ( 0.000 7.580 0.000) 7.580 14.888 ( 0.000 6.097 0.000) 6.097 14.911 ( 0.000 0.331 0.000) 0.331 15.013 ( 0.000 -0.806 0.000) 0.806 15.271 ( 0.000 4.727 0.000) 4.727 15.411 ( 0.000 3.031 0.000) 3.031 15.495 ( 0.000 4.556 0.000) 4.556 15.630 ( 0.000 2.533 0.000) 2.533 15.673 ( 0.000 5.018 0.000) 5.018 16.338 ( 0.000 -0.700 0.000) 0.700 16.841 ( 0.000 -1.496 0.000) 1.496 17.061 ( 0.000 -1.655 0.000) 1.655 17.336 ( 0.000 3.659 0.000) 3.659 17.644 ( 0.000 -3.406 0.000) 3.406 17.701 ( 0.000 -2.699 0.000) 2.699 17.780 ( 0.000 -2.959 0.000) 2.959 17.984 ( 0.000 2.422 0.000) 2.422 17.999 ( 0.000 -0.614 0.000) 0.614 18.106 ( 0.000 4.018 0.000) 4.018 18.139 ( 0.000 2.848 0.000) 2.848 18.551 ( 0.000 -2.891 0.000) 2.891 18.675 ( 0.000 1.445 0.000) 1.445 18.685 ( 0.000 -1.900 0.000) 1.900 18.748 ( 0.000 0.810 0.000) 0.810 18.964 ( 0.000 -4.499 0.000) 4.499 21.606 ( 0.000 1.049 0.000) 1.049 21.725 ( 0.000 -0.016 0.000) 0.016 21.732 ( 0.000 0.467 0.000) 0.467 21.892 ( 0.000 -0.219 0.000) 0.219 22.151 ( 0.000 1.534 0.000) 1.534 22.338 ( 0.000 0.388 0.000) 0.388 22.556 ( 0.000 -5.595 0.000) 5.595 22.572 ( 0.000 -1.202 0.000) 1.202 22.640 ( 0.000 -4.261 0.000) 4.261 22.825 ( 0.000 -6.973 0.000) 6.973 22.877 ( 0.000 2.422 0.000) 2.422 23.061 ( 0.000 0.261 0.000) 0.261 23.102 ( 0.000 -0.983 0.000) 0.983 23.209 ( 0.000 -1.748 0.000) 1.748 23.327 ( 0.000 -2.235 0.000) 2.235 23.459 ( 0.000 -4.102 0.000) 4.102 ======================= Grid point 6 (5/66) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 10.161 23.561 7.537) 26.743 0.791 ( 22.755 14.531 10.589) 29.001 1.338 ( 15.031 33.095 4.899) 36.677 1.481 ( 4.739 16.899 1.092) 17.584 1.616 ( -3.210 4.584 -3.830) 6.781 1.716 ( -12.934 3.755 -5.423) 14.519 1.846 ( -7.593 3.717 -5.750) 10.224 1.921 ( -2.853 21.238 0.578) 21.436 1.986 ( -6.335 20.224 -2.724) 21.368 2.089 ( -0.101 13.207 -3.389) 13.635 2.311 ( -8.107 7.959 -0.201) 11.362 2.424 ( 3.823 3.450 5.167) 7.295 2.529 ( 3.229 5.533 3.135) 7.132 2.591 ( 1.383 1.199 0.831) 2.010 2.659 ( -0.259 1.599 1.909) 2.504 2.827 ( 3.454 1.965 -1.591) 4.280 3.122 ( -7.808 -2.176 -6.464) 10.367 3.245 ( -2.632 -1.632 -0.449) 3.130 3.294 ( -2.240 -3.200 2.311) 4.539 3.372 ( 0.868 -4.025 0.415) 4.138 3.414 ( 1.650 -1.805 -3.037) 3.899 3.533 ( 5.605 -3.342 -0.772) 6.572 3.621 ( -3.156 2.268 -1.540) 4.180 3.806 ( -1.098 -8.381 1.446) 8.575 3.890 ( -3.060 -2.988 0.359) 4.292 4.012 ( -4.821 -2.763 -0.937) 5.635 4.052 ( -4.658 1.477 0.393) 4.902 4.132 ( 3.493 -3.658 -1.128) 5.182 4.301 ( 5.718 2.798 0.832) 6.420 4.385 ( 3.533 0.929 0.898) 3.761 4.428 ( 2.436 -0.800 -1.944) 3.218 4.585 ( -3.232 -6.046 -0.539) 6.876 4.615 ( -0.964 -5.285 1.381) 5.547 4.658 ( 0.255 -1.898 0.450) 1.967 4.768 ( 3.056 -2.061 -0.153) 3.689 4.819 ( -0.228 -0.565 0.728) 0.949 4.934 ( 3.599 -2.196 0.900) 4.311 5.018 ( 3.653 0.149 1.950) 4.144 5.065 ( 5.257 1.242 -1.537) 5.616 5.093 ( 0.353 -0.670 -3.315) 3.400 5.134 ( -6.068 -0.965 -3.604) 7.123 5.219 ( 0.017 1.217 -0.532) 1.328 5.336 ( -5.879 -2.366 5.715) 8.534 5.367 ( -0.387 -0.055 -2.455) 2.486 5.422 ( -0.397 -0.845 1.745) 1.979 5.512 ( 0.614 -1.270 1.200) 1.852 5.556 ( 1.077 3.304 2.857) 4.499 5.638 ( -1.205 -1.621 2.979) 3.599 5.651 ( 1.637 -1.307 1.858) 2.800 5.730 ( 6.708 -6.434 -1.326) 9.389 5.745 ( -0.191 -3.776 -3.830) 5.382 5.835 ( -0.176 -1.805 0.177) 1.822 5.865 ( 0.935 -7.651 -3.793) 8.591 5.943 ( 1.853 -4.725 2.637) 5.719 6.033 ( -1.209 1.375 0.286) 1.853 6.097 ( 1.170 7.542 -0.398) 7.642 6.134 ( -3.708 3.111 -2.507) 5.451 6.158 ( 0.223 -4.447 -3.630) 5.744 6.191 ( -1.955 2.261 -0.222) 2.997 6.309 ( 3.256 -4.180 0.652) 5.339 6.337 ( 6.016 -0.322 2.064) 6.368 6.430 ( -1.680 3.029 1.355) 3.719 6.546 ( 0.593 1.193 1.360) 1.904 6.581 ( 1.879 -1.495 4.470) 5.074 6.641 ( 1.245 0.864 -1.448) 2.096 6.772 ( -1.189 5.485 2.861) 6.299 6.848 ( 1.820 -6.656 -0.247) 6.905 6.946 ( -0.348 0.356 -5.032) 5.057 7.044 ( 1.315 0.396 0.379) 1.425 7.060 ( -3.503 -1.676 -1.953) 4.346 7.172 ( 2.405 0.068 0.497) 2.456 7.233 ( -3.245 -0.024 4.161) 5.277 7.353 ( 2.972 -4.445 -0.740) 5.398 7.380 ( 3.815 -1.917 -0.457) 4.294 7.486 ( -4.428 -2.902 0.970) 5.382 7.609 ( -0.051 -6.201 -0.843) 6.258 7.685 ( 2.219 -7.088 -1.747) 7.630 7.755 ( 2.379 -5.336 0.738) 5.889 7.874 ( -1.555 -0.447 1.288) 2.067 7.918 ( 0.427 -0.555 -0.234) 0.738 8.059 ( -0.980 -5.451 -0.057) 5.539 8.132 ( -0.496 -2.477 -1.346) 2.863 8.182 ( -1.094 -2.079 2.345) 3.319 8.217 ( -1.096 -5.369 1.028) 5.576 8.299 ( -0.492 -4.439 -4.132) 6.085 8.341 ( -1.288 -1.563 0.892) 2.213 8.380 ( 0.964 -1.440 0.358) 1.769 8.499 ( -2.314 -0.931 0.780) 2.613 8.643 ( 1.856 5.902 -0.557) 6.212 8.737 ( -1.340 5.120 0.157) 5.295 8.803 ( 0.607 7.507 1.047) 7.604 8.820 ( 2.079 7.027 -0.798) 7.371 9.481 ( -0.790 2.454 1.166) 2.829 9.504 ( -0.245 4.392 -0.175) 4.402 9.514 ( 0.535 3.749 -2.048) 4.306 9.623 ( 0.657 -1.022 1.206) 1.712 9.661 ( 0.291 -4.915 1.149) 5.056 9.687 ( 1.879 -3.406 -0.535) 3.927 9.829 ( -1.258 -1.512 -0.930) 2.175 9.958 ( 2.305 -0.880 0.362) 2.494 10.060 ( 3.214 17.631 0.526) 17.930 10.129 ( -4.502 17.749 -1.553) 18.377 10.306 ( 1.160 22.628 0.180) 22.659 10.512 ( -1.580 -5.629 1.963) 6.168 10.521 ( 1.153 -20.450 3.244) 20.738 10.645 ( -1.509 -20.280 1.762) 20.413 10.686 ( -1.078 -15.889 -0.007) 15.925 10.974 ( 1.219 3.298 1.170) 3.706 11.017 ( -1.968 2.697 -0.856) 3.447 11.078 ( -5.092 1.006 -0.665) 5.233 11.132 ( -0.479 0.675 -1.052) 1.338 11.171 ( 1.059 2.466 -0.826) 2.808 11.246 ( 1.365 1.559 0.610) 2.160 11.277 ( 0.297 8.344 -1.992) 8.583 11.384 ( -2.059 0.436 1.543) 2.610 11.923 ( -7.997 14.232 0.066) 16.325 12.050 ( -3.729 10.994 -2.221) 11.820 12.114 ( -20.674 26.655 -7.803) 34.623 12.135 ( -11.116 18.760 -4.555) 22.276 12.203 ( 0.074 9.219 0.872) 9.260 14.028 ( -0.313 5.142 0.780) 5.210 14.066 ( -0.686 6.281 -0.422) 6.332 14.180 ( -0.149 8.679 -1.047) 8.744 14.253 ( -8.959 11.641 -0.133) 14.690 14.644 ( -2.719 0.394 0.052) 2.748 14.727 ( 0.158 3.841 0.393) 3.864 14.761 ( 0.810 -0.257 1.660) 1.865 14.820 ( 0.346 3.639 -0.738) 3.729 14.913 ( 2.437 7.534 2.215) 8.222 14.938 ( 1.844 0.350 0.040) 1.877 15.008 ( 0.265 -0.172 -1.517) 1.549 15.058 ( -13.734 17.911 -1.021) 22.593 15.306 ( 1.756 5.501 4.403) 7.262 15.456 ( -6.711 4.679 -3.198) 8.784 15.498 ( 2.099 4.179 -15.215) 15.917 15.732 ( 3.320 5.169 2.064) 6.481 16.551 ( 2.188 -7.213 6.829) 10.171 16.795 ( -1.968 -2.266 5.193) 5.998 17.048 ( -1.038 -0.278 -0.887) 1.394 17.298 ( -1.850 2.672 1.477) 3.570 17.522 ( -9.342 -0.700 -0.711) 9.395 17.642 ( -1.637 -3.147 2.203) 4.176 17.835 ( -3.154 1.790 -10.898) 11.486 17.958 ( 4.256 0.713 -1.226) 4.486 18.059 ( 3.195 -0.834 1.880) 3.800 18.108 ( 0.341 2.407 -0.431) 2.469 18.145 ( 0.683 2.350 2.643) 3.602 18.296 ( -12.462 16.668 -11.377) 23.718 18.637 ( -1.646 0.701 0.360) 1.825 18.657 ( -2.486 -0.885 -0.167) 2.644 18.722 ( 1.036 1.170 -0.506) 1.643 18.750 ( -0.787 1.165 -0.807) 1.621 21.677 ( -2.595 0.730 -0.567) 2.754 21.743 ( 1.955 -0.061 -1.064) 2.226 21.797 ( 0.523 -4.946 13.053) 13.969 21.943 ( 1.160 0.830 1.613) 2.153 22.232 ( 0.446 -1.857 0.145) 1.915 22.336 ( -0.178 0.112 -0.087) 0.228 22.485 ( 5.327 -10.540 -6.576) 13.517 22.587 ( 0.693 -5.866 0.108) 5.908 22.772 ( -1.399 -5.354 -2.938) 6.266 22.804 ( 4.013 -6.134 2.566) 7.766 23.039 ( 8.907 -5.186 -0.727) 10.332 23.081 ( 2.278 -0.839 -3.902) 4.595 23.111 ( 0.749 -1.512 7.796) 7.977 23.217 ( 0.786 -2.116 -0.257) 2.271 23.330 ( 0.382 -2.080 -0.438) 2.159 23.445 ( -1.022 -3.440 0.342) 3.605 ======================= Grid point 7 (6/66) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 17.653 13.296 5.684) 22.819 1.242 ( 19.716 14.530 5.648) 25.134 1.362 ( -14.944 9.967 -1.954) 18.069 1.407 ( -7.282 4.964 -1.371) 8.919 1.552 ( -6.523 14.121 3.914) 16.040 1.672 ( -2.127 4.253 -5.682) 7.409 1.757 ( -3.453 19.137 -1.536) 19.506 1.916 ( 16.908 26.479 2.938) 31.554 1.960 ( 3.923 29.181 0.164) 29.444 2.052 ( 0.935 -4.680 -9.682) 10.794 2.173 ( -6.324 12.897 5.389) 15.342 2.397 ( -14.483 6.826 -1.193) 16.055 2.544 ( -0.903 4.840 1.844) 5.258 2.589 ( 1.349 -1.680 0.619) 2.241 2.681 ( 1.977 3.533 0.854) 4.137 2.874 ( 1.485 1.981 -0.461) 2.519 3.003 ( -1.621 -0.521 -3.909) 4.263 3.211 ( -0.876 0.109 -0.147) 0.895 3.254 ( -1.925 -2.976 1.806) 3.978 3.386 ( 0.650 -4.146 -1.464) 4.444 3.445 ( 2.282 -0.910 0.894) 2.614 3.520 ( -3.866 0.475 -2.483) 4.619 3.633 ( 2.702 -3.285 0.019) 4.253 3.747 ( -3.028 -5.780 1.241) 6.642 3.887 ( 0.692 -3.118 -1.035) 3.358 3.923 ( -3.270 0.049 1.695) 3.684 3.991 ( -1.811 1.100 -0.824) 2.274 4.240 ( 7.971 -7.781 -1.778) 11.280 4.372 ( 1.649 -1.626 -2.350) 3.299 4.402 ( -6.649 -2.769 3.120) 7.850 4.491 ( 4.796 1.438 -0.652) 5.049 4.526 ( 1.653 -1.394 2.411) 3.239 4.622 ( -0.773 -4.009 1.096) 4.227 4.674 ( 0.589 -2.556 -0.203) 2.631 4.773 ( -2.329 -0.999 -2.521) 3.575 4.861 ( 3.042 -7.138 2.918) 8.290 4.916 ( -3.246 -0.776 0.833) 3.440 4.983 ( -3.001 -2.160 -5.975) 7.027 5.080 ( 3.409 -3.878 -1.654) 5.421 5.153 ( 3.829 0.778 3.969) 5.570 5.194 ( -0.767 -0.861 -0.099) 1.157 5.253 ( -2.016 2.824 1.401) 3.742 5.289 ( 7.689 2.980 -0.123) 8.247 5.382 ( 2.512 -2.530 -1.200) 3.762 5.408 ( -1.410 -2.482 0.454) 2.890 5.505 ( -1.635 -1.705 1.854) 3.002 5.529 ( -5.369 3.835 1.328) 6.730 5.638 ( 2.496 -3.425 -1.131) 4.386 5.701 ( -0.722 -1.851 -3.209) 3.774 5.706 ( 0.928 -2.382 5.349) 5.928 5.765 ( -3.032 -1.244 -1.072) 3.448 5.808 ( -0.495 -5.417 -0.460) 5.459 5.925 ( 5.245 0.188 -6.392) 8.271 5.943 ( -0.716 1.992 1.277) 2.472 6.014 ( -5.121 -1.541 3.752) 6.532 6.058 ( -0.054 4.353 0.280) 4.362 6.094 ( -0.648 -0.074 -0.754) 0.997 6.176 ( 0.720 1.430 -1.496) 2.191 6.189 ( 2.026 -5.606 -0.530) 5.985 6.370 ( 1.734 -2.851 0.060) 3.337 6.386 ( -0.121 -2.528 0.750) 2.640 6.473 ( 2.362 -3.505 0.675) 4.280 6.546 ( 0.849 -0.151 0.376) 0.941 6.648 ( 0.451 1.961 -0.474) 2.067 6.695 ( 6.261 1.388 4.614) 7.900 6.721 ( -1.009 5.006 -0.923) 5.189 6.880 ( -4.885 -4.620 0.356) 6.733 6.901 ( 0.139 0.894 -1.955) 2.154 7.018 ( -2.174 -9.878 0.048) 10.115 7.084 ( 4.237 1.620 -1.322) 4.725 7.159 ( -1.966 6.398 0.210) 6.696 7.194 ( -0.311 3.124 0.735) 3.225 7.299 ( -7.866 -4.724 0.997) 9.229 7.411 ( 3.615 -3.815 -1.827) 5.564 7.535 ( 2.968 -3.508 2.222) 5.104 7.606 ( 0.149 -4.408 -1.631) 4.702 7.713 ( 2.401 -9.088 -1.002) 9.453 7.788 ( -0.291 -4.016 1.831) 4.423 7.842 ( -2.538 -0.669 -0.662) 2.707 7.935 ( 1.574 -4.309 0.347) 4.601 8.041 ( -0.514 -4.790 -0.383) 4.833 8.116 ( -0.110 -0.343 -1.069) 1.128 8.155 ( -2.237 -0.663 0.771) 2.458 8.224 ( 0.872 -6.303 1.772) 6.605 8.276 ( -0.406 -6.331 -2.382) 6.776 8.328 ( -0.337 -2.824 0.405) 2.873 8.389 ( 0.036 0.361 -0.052) 0.367 8.461 ( -1.489 -1.824 0.678) 2.450 8.676 ( 1.527 5.588 -0.507) 5.815 8.718 ( -0.854 4.703 0.173) 4.784 8.816 ( 0.358 7.197 0.509) 7.224 8.850 ( 1.041 7.423 -0.277) 7.501 9.469 ( -0.615 3.880 0.512) 3.962 9.499 ( -0.110 1.066 -0.118) 1.078 9.524 ( 0.852 2.689 -1.215) 3.071 9.624 ( -0.714 0.846 1.007) 1.497 9.668 ( 0.306 -3.071 -0.122) 3.089 9.745 ( 3.028 -4.411 2.057) 5.733 9.803 ( -1.256 -3.885 -2.163) 4.621 9.983 ( 0.462 0.645 0.234) 0.827 10.044 ( -2.794 20.139 -0.934) 20.354 10.156 ( 5.559 17.211 -0.314) 18.089 10.324 ( 0.462 25.754 0.672) 25.767 10.449 ( -6.200 13.743 4.234) 15.660 10.550 ( 0.380 -23.589 1.108) 23.618 10.633 ( -0.228 -21.537 0.293) 21.541 10.694 ( 1.330 -11.631 6.672) 13.475 10.838 ( -10.361 8.817 -11.542) 17.841 10.958 ( -1.091 4.542 -0.718) 4.726 11.048 ( 2.426 3.065 -0.655) 3.963 11.103 ( -1.452 -2.206 -0.152) 2.645 11.188 ( 0.856 4.035 -1.207) 4.297 11.267 ( 1.627 10.471 2.430) 10.872 11.297 ( 0.632 6.253 -2.216) 6.665 11.346 ( -2.258 4.353 0.435) 4.923 11.584 ( -6.559 19.271 -1.077) 20.385 12.028 ( 2.560 8.458 1.275) 8.929 12.045 ( -0.269 8.025 -0.820) 8.071 12.089 ( -2.389 8.387 -1.503) 8.849 12.209 ( 0.136 8.708 0.564) 8.727 14.019 ( -0.565 6.492 0.337) 6.525 14.054 ( -0.309 6.429 -0.127) 6.438 14.140 ( -1.078 8.772 -0.912) 8.885 14.209 ( 0.013 7.712 0.688) 7.743 14.608 ( -0.998 0.064 0.035) 1.000 14.730 ( 0.021 4.898 0.249) 4.904 14.786 ( 0.591 1.488 2.600) 3.054 14.808 ( -0.457 1.233 -2.237) 2.595 14.924 ( -1.444 9.649 -0.618) 9.776 14.957 ( -0.350 -0.214 0.110) 0.425 14.973 ( 1.582 9.368 0.636) 9.522 15.047 ( 2.746 -1.446 -0.359) 3.124 15.336 ( -4.151 4.727 -1.120) 6.389 15.371 ( 2.034 5.847 5.666) 8.392 15.457 ( -0.598 5.408 -8.036) 9.705 15.785 ( 1.287 5.244 1.112) 5.513 16.461 ( -4.800 -2.749 -3.098) 6.340 16.876 ( 2.535 1.564 12.178) 12.536 16.997 ( -2.515 0.752 -5.908) 6.465 17.306 ( 1.070 -6.607 -0.910) 6.754 17.404 ( -2.848 0.449 0.566) 2.938 17.603 ( -1.817 -3.398 -0.263) 3.862 17.774 ( 0.351 1.211 -4.920) 5.079 17.994 ( 0.565 3.222 -0.385) 3.294 18.086 ( 0.207 3.181 -0.769) 3.279 18.107 ( -0.235 5.880 0.010) 5.885 18.184 ( -0.997 7.957 -1.292) 8.123 18.218 ( 3.083 -8.002 3.296) 9.187 18.600 ( -1.435 -0.812 -0.555) 1.740 18.654 ( 0.421 -0.063 0.583) 0.722 18.719 ( -0.557 0.040 -0.699) 0.895 18.752 ( 0.453 1.535 0.220) 1.616 21.632 ( -1.356 1.183 -0.584) 1.892 21.783 ( 3.058 -0.525 -3.251) 4.494 21.816 ( -2.369 -1.820 6.816) 7.441 21.942 ( -0.422 0.698 -0.856) 1.182 22.205 ( -1.359 0.738 1.257) 1.993 22.332 ( -0.122 -0.305 -0.119) 0.350 22.528 ( 0.874 -4.274 -2.923) 5.251 22.647 ( 3.653 -9.980 1.767) 10.773 22.727 ( -1.843 -8.904 -1.800) 9.269 22.857 ( 1.038 -4.480 1.025) 4.712 23.086 ( 0.113 -1.264 -0.597) 1.402 23.118 ( 2.767 -1.429 -0.359) 3.135 23.162 ( -0.431 -3.404 1.311) 3.673 23.229 ( 0.426 -2.683 -0.287) 2.732 23.341 ( 0.709 -1.940 0.090) 2.068 23.435 ( -0.313 -3.079 0.424) 3.123 ======================= Grid point 10 (7/66) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 24.867 0.000) 24.867 1.155 ( 0.000 25.052 0.000) 25.052 1.581 ( 0.000 11.704 0.000) 11.704 1.650 ( 0.000 2.473 0.000) 2.473 1.917 ( 0.000 2.947 0.000) 2.947 1.956 ( 0.000 0.984 0.000) 0.984 2.087 ( 0.000 30.281 0.000) 30.281 2.263 ( 0.000 12.005 0.000) 12.005 2.324 ( 0.000 9.129 0.000) 9.129 2.533 ( 0.000 16.924 0.000) 16.924 2.569 ( 0.000 23.608 0.000) 23.608 2.592 ( 0.000 13.214 0.000) 13.214 2.654 ( 0.000 3.859 0.000) 3.859 2.750 ( 0.000 11.581 0.000) 11.581 2.761 ( 0.000 12.364 0.000) 12.364 2.887 ( 0.000 13.872 0.000) 13.872 3.142 ( 0.000 -5.975 0.000) 5.975 3.207 ( 0.000 -2.708 0.000) 2.708 3.232 ( 0.000 -6.912 0.000) 6.912 3.269 ( 0.000 -1.424 0.000) 1.424 3.396 ( 0.000 -1.873 0.000) 1.873 3.425 ( 0.000 0.496 0.000) 0.496 3.604 ( 0.000 -7.127 0.000) 7.127 3.672 ( 0.000 -1.868 0.000) 1.868 3.954 ( 0.000 -4.075 0.000) 4.075 3.983 ( 0.000 -1.601 0.000) 1.601 4.024 ( 0.000 -4.223 0.000) 4.223 4.119 ( 0.000 -0.792 0.000) 0.792 4.255 ( 0.000 -1.755 0.000) 1.755 4.297 ( 0.000 -2.082 0.000) 2.082 4.389 ( 0.000 -6.063 0.000) 6.063 4.475 ( 0.000 3.069 0.000) 3.069 4.583 ( 0.000 0.086 0.000) 0.086 4.677 ( 0.000 -1.968 0.000) 1.968 4.688 ( 0.000 -1.950 0.000) 1.950 4.830 ( 0.000 1.636 0.000) 1.636 4.894 ( 0.000 1.810 0.000) 1.810 5.002 ( 0.000 -0.468 0.000) 0.468 5.007 ( 0.000 0.882 0.000) 0.882 5.094 ( 0.000 -4.104 0.000) 4.104 5.142 ( 0.000 -1.711 0.000) 1.711 5.208 ( 0.000 -4.324 0.000) 4.324 5.319 ( 0.000 -8.873 0.000) 8.873 5.352 ( 0.000 -5.205 0.000) 5.205 5.375 ( 0.000 -5.837 0.000) 5.837 5.433 ( 0.000 1.434 0.000) 1.434 5.488 ( 0.000 0.022 0.000) 0.022 5.614 ( 0.000 -2.827 0.000) 2.827 5.640 ( 0.000 -4.919 0.000) 4.919 5.640 ( 0.000 -0.741 0.000) 0.741 5.649 ( 0.000 -9.885 0.000) 9.885 5.702 ( 0.000 -2.305 0.000) 2.305 5.810 ( 0.000 9.980 0.000) 9.980 5.826 ( 0.000 -0.276 0.000) 0.276 6.009 ( 0.000 -2.434 0.000) 2.434 6.065 ( 0.000 -5.938 0.000) 5.938 6.190 ( 0.000 -1.345 0.000) 1.345 6.239 ( 0.000 1.858 0.000) 1.858 6.305 ( 0.000 6.625 0.000) 6.625 6.344 ( 0.000 4.569 0.000) 4.569 6.397 ( 0.000 10.921 0.000) 10.921 6.481 ( 0.000 0.055 0.000) 0.055 6.498 ( 0.000 -2.084 0.000) 2.084 6.546 ( 0.000 -0.148 0.000) 0.148 6.634 ( 0.000 3.007 0.000) 3.007 6.822 ( 0.000 1.448 0.000) 1.448 6.841 ( 0.000 0.992 0.000) 0.992 7.006 ( 0.000 -0.392 0.000) 0.392 7.012 ( 0.000 2.404 0.000) 2.404 7.107 ( 0.000 -4.992 0.000) 4.992 7.132 ( 0.000 0.288 0.000) 0.288 7.194 ( 0.000 2.008 0.000) 2.008 7.280 ( 0.000 0.354 0.000) 0.354 7.350 ( 0.000 -3.223 0.000) 3.223 7.465 ( 0.000 -2.749 0.000) 2.749 7.489 ( 0.000 -3.922 0.000) 3.922 7.571 ( 0.000 -4.915 0.000) 4.915 7.658 ( 0.000 -3.275 0.000) 3.275 7.846 ( 0.000 -4.977 0.000) 4.977 7.849 ( 0.000 -5.354 0.000) 5.354 8.007 ( 0.000 -1.675 0.000) 1.675 8.050 ( 0.000 -3.091 0.000) 3.091 8.084 ( 0.000 -7.759 0.000) 7.759 8.153 ( 0.000 -6.849 0.000) 6.849 8.200 ( 0.000 0.676 0.000) 0.676 8.355 ( 0.000 2.233 0.000) 2.233 8.445 ( 0.000 4.319 0.000) 4.319 8.525 ( 0.000 0.203 0.000) 0.203 8.740 ( 0.000 5.460 0.000) 5.460 8.863 ( 0.000 2.126 0.000) 2.126 8.878 ( 0.000 3.911 0.000) 3.911 8.908 ( 0.000 2.839 0.000) 2.839 9.391 ( 0.000 -8.778 0.000) 8.778 9.469 ( 0.000 -9.838 0.000) 9.838 9.473 ( 0.000 -4.806 0.000) 4.806 9.510 ( 0.000 -8.938 0.000) 8.938 9.625 ( 0.000 -3.276 0.000) 3.276 9.632 ( 0.000 0.334 0.000) 0.334 9.784 ( 0.000 -4.950 0.000) 4.950 9.888 ( 0.000 -3.005 0.000) 3.005 10.013 ( 0.000 -21.890 0.000) 21.890 10.140 ( 0.000 -13.891 0.000) 13.891 10.175 ( 0.000 -14.929 0.000) 14.929 10.253 ( 0.000 -18.116 0.000) 18.116 10.557 ( 0.000 16.938 0.000) 16.938 10.855 ( 0.000 25.638 0.000) 25.638 10.861 ( 0.000 19.631 0.000) 19.631 10.996 ( 0.000 1.168 0.000) 1.168 11.071 ( 0.000 -0.267 0.000) 0.267 11.087 ( 0.000 -0.998 0.000) 0.998 11.184 ( 0.000 5.732 0.000) 5.732 11.235 ( 0.000 -0.072 0.000) 0.072 11.244 ( 0.000 13.803 0.000) 13.803 11.396 ( 0.000 5.943 0.000) 5.943 11.436 ( 0.000 5.293 0.000) 5.293 12.061 ( 0.000 5.740 0.000) 5.740 12.212 ( 0.000 6.155 0.000) 6.155 12.295 ( 0.000 6.953 0.000) 6.953 12.373 ( 0.000 7.385 0.000) 7.385 12.733 ( 0.000 -0.287 0.000) 0.287 14.159 ( 0.000 8.338 0.000) 8.338 14.214 ( 0.000 7.989 0.000) 7.989 14.374 ( 0.000 10.698 0.000) 10.698 14.430 ( 0.000 1.155 0.000) 1.155 14.682 ( 0.000 -0.961 0.000) 0.961 14.739 ( 0.000 -0.661 0.000) 0.661 14.741 ( 0.000 0.679 0.000) 0.679 14.920 ( 0.000 4.511 0.000) 4.511 15.014 ( 0.000 2.624 0.000) 2.624 15.053 ( 0.000 12.901 0.000) 12.901 15.072 ( 0.000 11.992 0.000) 11.992 15.371 ( 0.000 5.158 0.000) 5.158 15.481 ( 0.000 3.821 0.000) 3.821 15.591 ( 0.000 4.943 0.000) 4.943 15.685 ( 0.000 2.762 0.000) 2.762 15.765 ( 0.000 3.922 0.000) 3.922 16.342 ( 0.000 1.951 0.000) 1.951 16.816 ( 0.000 -0.541 0.000) 0.541 17.019 ( 0.000 -2.327 0.000) 2.327 17.430 ( 0.000 5.697 0.000) 5.697 17.580 ( 0.000 -3.021 0.000) 3.021 17.651 ( 0.000 -2.040 0.000) 2.040 17.693 ( 0.000 -5.647 0.000) 5.647 18.000 ( 0.000 0.394 0.000) 0.394 18.049 ( 0.000 4.245 0.000) 4.245 18.186 ( 0.000 4.101 0.000) 4.101 18.206 ( 0.000 3.815 0.000) 3.815 18.485 ( 0.000 -3.939 0.000) 3.939 18.646 ( 0.000 -2.161 0.000) 2.161 18.686 ( 0.000 -0.444 0.000) 0.444 18.747 ( 0.000 -1.018 0.000) 1.018 18.853 ( 0.000 -6.534 0.000) 6.534 21.634 ( 0.000 1.830 0.000) 1.830 21.726 ( 0.000 0.177 0.000) 0.177 21.745 ( 0.000 0.890 0.000) 0.890 21.886 ( 0.000 -0.433 0.000) 0.433 22.192 ( 0.000 2.558 0.000) 2.558 22.348 ( 0.000 0.644 0.000) 0.644 22.444 ( 0.000 -5.374 0.000) 5.374 22.540 ( 0.000 -2.011 0.000) 2.011 22.550 ( 0.000 -4.853 0.000) 4.853 22.673 ( 0.000 -8.187 0.000) 8.187 22.909 ( 0.000 0.969 0.000) 0.969 23.046 ( 0.000 -1.737 0.000) 1.737 23.072 ( 0.000 -2.038 0.000) 2.038 23.161 ( 0.000 -3.169 0.000) 3.169 23.270 ( 0.000 -3.480 0.000) 3.480 23.359 ( 0.000 -5.738 0.000) 5.738 ======================= Grid point 11 (8/66) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 13.751 18.397 9.603) 24.895 1.201 ( 5.213 23.511 2.397) 24.201 1.577 ( -1.862 11.440 6.915) 13.497 1.657 ( 0.710 -0.553 -2.666) 2.814 1.791 ( -6.785 6.784 -6.108) 11.373 1.913 ( -3.849 7.643 -7.142) 11.147 2.152 ( -0.606 19.636 -2.016) 19.748 2.251 ( -1.981 13.092 0.746) 13.262 2.314 ( 3.402 14.110 -1.822) 14.628 2.483 ( -6.120 17.069 4.071) 18.585 2.526 ( -0.772 4.276 -1.329) 4.544 2.578 ( 1.595 25.159 -1.053) 25.232 2.722 ( 1.558 12.290 1.067) 12.434 2.747 ( 0.749 11.042 5.678) 12.438 2.796 ( -2.034 18.090 0.019) 18.204 2.880 ( 2.594 4.263 -0.993) 5.088 3.070 ( -3.607 -2.202 -5.838) 7.208 3.185 ( -1.494 -3.552 1.115) 4.011 3.246 ( -2.079 -2.128 5.246) 6.031 3.282 ( 2.131 -5.322 -2.372) 6.204 3.394 ( 0.791 -1.290 -1.546) 2.163 3.483 ( 4.092 -0.685 0.257) 4.157 3.634 ( -1.936 -2.600 0.544) 3.286 3.654 ( 2.810 -4.805 -0.238) 5.571 3.853 ( -5.539 -0.643 0.494) 5.598 3.933 ( -4.567 -4.581 -2.789) 7.044 4.028 ( -2.571 -4.317 1.405) 5.217 4.095 ( -0.562 -0.795 0.088) 0.978 4.288 ( 3.467 -3.174 -2.559) 5.352 4.385 ( 5.206 -2.012 0.874) 5.650 4.395 ( 2.199 -4.914 1.636) 5.627 4.455 ( -1.764 0.643 1.668) 2.511 4.559 ( -7.114 -1.361 -1.670) 7.433 4.640 ( 3.959 -0.442 0.432) 4.007 4.733 ( 1.151 0.017 1.393) 1.808 4.836 ( 0.648 -1.258 0.436) 1.481 4.887 ( -1.166 -0.836 -2.600) 2.970 4.995 ( -5.710 -2.440 0.478) 6.227 5.064 ( 3.272 -1.219 2.807) 4.480 5.079 ( 1.313 -5.051 -1.156) 5.345 5.107 ( 0.699 -0.380 -1.735) 1.909 5.230 ( 3.796 -0.132 0.889) 3.900 5.275 ( -0.235 -0.735 0.629) 0.995 5.354 ( -4.384 -1.569 -2.525) 5.297 5.378 ( 2.931 -3.398 -0.719) 4.545 5.474 ( 0.639 -3.257 1.153) 3.514 5.511 ( 2.360 -9.035 -1.054) 9.398 5.568 ( -1.938 -2.225 -1.968) 3.547 5.615 ( -0.042 -4.812 2.143) 5.267 5.644 ( 0.569 -7.690 -4.393) 8.874 5.711 ( 5.239 -4.183 -0.774) 6.749 5.770 ( -2.264 8.112 4.724) 9.657 5.836 ( 4.331 -0.618 2.311) 4.948 5.852 ( 3.768 2.562 3.579) 5.794 6.023 ( 1.295 -4.098 -2.053) 4.763 6.082 ( 1.039 -2.203 1.534) 2.879 6.154 ( -3.360 -1.070 -3.554) 5.006 6.191 ( -6.590 1.836 -3.644) 7.751 6.212 ( -3.159 1.201 0.106) 3.381 6.354 ( -0.280 4.526 5.043) 6.782 6.384 ( 1.717 6.255 -2.647) 7.006 6.471 ( -0.519 1.132 -0.047) 1.246 6.558 ( 1.470 1.096 1.886) 2.631 6.604 ( 3.431 1.911 2.200) 4.502 6.653 ( 0.638 1.299 0.709) 1.611 6.776 ( -0.162 -1.294 1.048) 1.672 6.869 ( 1.080 3.083 0.697) 3.340 6.957 ( -1.988 0.344 -2.434) 3.162 7.006 ( -5.074 -1.061 -3.612) 6.318 7.076 ( 0.364 1.494 -0.048) 1.538 7.181 ( 3.012 -2.117 3.003) 4.751 7.231 ( 1.694 -0.982 2.191) 2.938 7.273 ( -0.235 -1.212 -2.206) 2.528 7.353 ( 1.393 -0.717 -0.263) 1.588 7.450 ( -1.249 -1.519 -0.030) 1.967 7.501 ( 1.344 -4.026 -0.984) 4.357 7.579 ( 0.458 -4.593 0.320) 4.627 7.680 ( 2.308 -3.078 -0.062) 3.848 7.825 ( -0.845 -4.785 -1.359) 5.045 7.855 ( -0.089 -4.705 -1.104) 4.834 7.983 ( -2.384 -3.465 0.801) 4.281 8.048 ( 0.098 -4.936 0.359) 4.950 8.077 ( -1.588 -6.727 1.312) 7.035 8.171 ( 2.230 -3.845 -1.154) 4.592 8.186 ( -1.265 0.221 0.935) 1.588 8.351 ( -1.057 2.227 -0.827) 2.600 8.433 ( -0.632 2.954 0.083) 3.022 8.506 ( -1.945 1.812 0.582) 2.721 8.748 ( 0.620 4.269 0.143) 4.316 8.822 ( -2.247 3.109 0.350) 3.852 8.911 ( 1.692 1.964 -0.910) 2.747 8.924 ( 1.558 3.682 0.514) 4.031 9.384 ( -0.711 -10.219 0.592) 10.261 9.463 ( -0.458 -6.757 -0.858) 6.827 9.486 ( 0.988 -6.898 0.256) 6.973 9.519 ( 0.406 -7.702 0.167) 7.715 9.581 ( -2.011 -3.864 1.299) 4.545 9.676 ( 2.358 -0.309 -0.004) 2.378 9.779 ( 0.062 -2.645 -2.232) 3.461 9.903 ( 0.996 -6.131 0.574) 6.237 10.026 ( 1.245 -21.942 -0.122) 21.978 10.142 ( 0.626 -14.531 -0.790) 14.566 10.178 ( 0.283 -13.615 0.098) 13.618 10.248 ( -0.709 -18.291 0.577) 18.314 10.600 ( 3.401 16.268 3.405) 16.965 10.739 ( -5.849 16.328 -4.243) 17.856 10.864 ( -1.513 23.106 0.095) 23.155 11.030 ( -1.458 0.333 3.263) 3.589 11.075 ( 1.839 3.498 2.424) 4.636 11.101 ( 0.858 4.066 1.187) 4.322 11.178 ( -0.342 3.681 -4.028) 5.467 11.227 ( 1.800 3.993 -1.616) 4.669 11.309 ( 2.333 8.724 -1.667) 9.183 11.422 ( 1.263 4.918 6.094) 7.932 11.429 ( 2.712 10.438 -3.045) 11.206 12.078 ( 1.063 6.022 1.593) 6.319 12.202 ( -0.473 6.373 -1.677) 6.607 12.285 ( -1.350 6.774 0.120) 6.908 12.367 ( -0.878 7.283 0.707) 7.370 12.534 ( -17.986 9.008 -3.216) 20.371 14.163 ( 0.233 8.342 0.521) 8.361 14.214 ( 0.019 8.360 -0.256) 8.364 14.374 ( -0.291 10.112 -0.507) 10.129 14.384 ( -3.792 4.444 0.544) 5.867 14.650 ( -1.931 0.393 -1.076) 2.245 14.742 ( 0.407 -0.836 0.728) 1.181 14.773 ( 1.719 0.069 1.984) 2.626 14.914 ( -0.778 3.619 -1.672) 4.062 15.002 ( -1.351 9.285 -0.806) 9.417 15.025 ( 1.412 4.568 0.065) 4.782 15.144 ( 3.069 11.639 2.672) 12.330 15.330 ( -9.241 9.229 0.177) 13.061 15.441 ( 1.973 8.719 3.475) 9.591 15.555 ( -5.756 4.761 -0.236) 7.473 15.588 ( 0.415 5.076 -11.706) 12.765 15.829 ( 3.781 4.083 1.825) 5.857 16.476 ( 5.527 -0.356 5.373) 7.716 16.739 ( -2.418 -2.571 -3.140) 4.724 17.043 ( 0.999 -0.083 1.675) 1.952 17.381 ( -5.458 4.675 1.056) 7.264 17.515 ( -6.618 0.379 -0.927) 6.693 17.584 ( -1.413 -2.628 2.713) 4.033 17.804 ( 2.118 -4.822 -2.271) 5.735 17.931 ( -0.265 -1.623 -3.697) 4.047 18.073 ( 0.367 3.001 1.578) 3.411 18.168 ( -1.016 3.479 -0.475) 3.656 18.221 ( 0.942 4.544 0.650) 4.686 18.436 ( -4.683 0.474 -3.919) 6.125 18.627 ( -1.558 -1.890 0.740) 2.559 18.661 ( -4.513 0.498 0.585) 4.578 18.736 ( -0.041 -0.451 -1.011) 1.108 18.755 ( -1.858 -0.885 -2.073) 2.921 21.695 ( -0.371 0.876 0.757) 1.216 21.732 ( 1.347 -1.293 5.596) 5.900 21.743 ( 1.646 0.060 -0.807) 1.834 21.935 ( 2.952 -1.454 -0.003) 3.290 22.211 ( 1.902 0.168 -0.606) 2.003 22.332 ( -1.683 -0.848 -0.782) 2.040 22.363 ( -2.627 -2.210 -0.626) 3.490 22.487 ( 0.148 -4.577 0.006) 4.579 22.637 ( -1.766 -7.666 -3.765) 8.721 22.700 ( 4.484 -5.227 2.440) 7.306 22.982 ( 5.533 -1.771 1.555) 6.014 23.050 ( 0.627 -2.151 -1.599) 2.753 23.080 ( 0.596 -2.229 2.061) 3.093 23.163 ( 0.369 -3.361 -0.419) 3.407 23.276 ( 0.532 -3.330 -0.315) 3.387 23.356 ( -0.210 -5.278 0.276) 5.290 ======================= Grid point 12 (9/66) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 8.433 15.543 4.296) 18.198 1.450 ( 9.529 12.276 6.297) 16.767 1.561 ( -2.915 10.766 -2.924) 11.531 1.577 ( -1.990 6.889 2.245) 7.513 1.731 ( -0.463 7.330 1.143) 7.433 1.862 ( 6.019 9.362 -8.964) 14.291 1.967 ( -11.711 14.550 1.244) 18.719 2.125 ( -13.465 8.890 -3.715) 16.557 2.391 ( 6.108 14.432 2.735) 15.908 2.498 ( 2.640 13.452 -0.317) 13.712 2.551 ( 2.001 1.427 -0.902) 2.618 2.624 ( -2.842 29.527 0.093) 29.664 2.657 ( 2.320 25.194 -1.140) 25.326 2.787 ( 1.174 9.648 0.391) 9.727 2.792 ( -1.508 15.123 4.222) 15.774 2.868 ( -3.443 1.131 -1.314) 3.855 3.050 ( 3.299 3.967 -3.722) 6.362 3.171 ( -0.456 -3.447 -0.304) 3.490 3.206 ( -3.007 -2.432 3.606) 5.288 3.298 ( 0.354 -5.482 -1.361) 5.659 3.433 ( 3.246 -1.941 0.733) 3.852 3.503 ( -2.779 -2.281 -0.427) 3.620 3.611 ( 1.513 1.198 0.160) 1.937 3.680 ( -1.597 0.890 -0.509) 1.898 3.791 ( -1.800 -3.806 0.246) 4.217 3.906 ( 3.736 -2.749 -0.010) 4.639 3.978 ( -2.690 -0.956 0.016) 2.855 4.070 ( -1.885 -8.393 0.225) 8.605 4.347 ( 3.632 -2.135 -3.293) 5.348 4.387 ( -2.840 0.169 3.101) 4.208 4.418 ( -0.622 -9.540 0.104) 9.561 4.430 ( -3.334 -4.218 -1.783) 5.664 4.566 ( 8.074 1.614 3.937) 9.126 4.694 ( 0.803 -0.126 1.216) 1.462 4.749 ( -0.654 -2.184 -1.030) 2.502 4.780 ( -6.248 -1.358 -3.050) 7.084 4.870 ( 0.286 -5.991 -0.207) 6.002 4.906 ( -0.155 -0.534 0.520) 0.761 5.032 ( -1.887 -2.112 -2.250) 3.617 5.140 ( 1.666 -3.612 1.777) 4.356 5.178 ( 3.448 -1.083 0.273) 3.625 5.247 ( -3.725 -2.664 3.116) 5.539 5.310 ( 0.263 -4.119 1.290) 4.324 5.363 ( 6.559 3.422 -0.868) 7.449 5.415 ( 0.520 4.286 -5.310) 6.844 5.472 ( 1.402 -1.968 0.716) 2.520 5.509 ( 3.496 -6.969 -4.156) 8.836 5.582 ( -1.655 -6.740 1.719) 7.150 5.624 ( -1.757 -7.468 6.497) 10.054 5.626 ( 1.211 -6.200 -5.209) 8.188 5.707 ( -5.248 7.285 2.573) 9.340 5.815 ( 3.519 0.206 -0.761) 3.607 5.866 ( 2.420 0.706 2.831) 3.791 5.947 ( 0.511 -0.622 0.407) 0.902 6.024 ( -2.493 -1.943 0.152) 3.164 6.039 ( -2.985 -0.956 -3.719) 4.864 6.083 ( -2.021 -2.751 -0.581) 3.463 6.120 ( 2.018 0.257 0.775) 2.177 6.218 ( 1.877 2.331 -0.409) 3.020 6.372 ( -0.609 -0.950 3.290) 3.478 6.413 ( 1.287 5.515 -0.513) 5.687 6.450 ( -0.844 0.382 -2.665) 2.821 6.535 ( -1.199 -0.910 1.200) 1.925 6.680 ( 1.537 1.805 1.352) 2.729 6.702 ( 5.086 0.848 2.304) 5.647 6.812 ( 1.572 -1.142 -0.188) 1.952 6.853 ( -4.158 3.327 1.945) 5.669 6.866 ( -5.459 -2.963 -1.742) 6.451 6.928 ( -0.834 1.270 -3.652) 3.955 7.097 ( 4.492 -0.452 -1.679) 4.817 7.190 ( -4.094 -4.246 2.826) 6.541 7.265 ( 0.461 3.096 -0.245) 3.140 7.299 ( 1.247 5.375 0.817) 5.578 7.377 ( 3.522 -1.313 0.069) 3.759 7.469 ( 1.554 -3.329 0.979) 3.802 7.490 ( -1.978 -4.667 -1.649) 5.330 7.585 ( 0.731 -3.889 -1.598) 4.267 7.716 ( -0.083 -4.469 1.907) 4.860 7.819 ( 0.203 -2.362 0.633) 2.453 7.841 ( 0.887 -4.170 -3.666) 5.623 7.940 ( -2.268 -5.508 1.131) 6.063 8.038 ( -0.544 -7.257 -0.201) 7.281 8.067 ( -0.230 -5.759 0.673) 5.802 8.175 ( -0.460 -1.053 1.251) 1.699 8.217 ( 3.074 0.491 -0.830) 3.222 8.295 ( -3.730 0.729 -0.652) 3.856 8.436 ( 0.645 1.360 0.066) 1.507 8.471 ( -1.689 4.264 0.629) 4.630 8.758 ( 0.349 2.356 -0.146) 2.386 8.795 ( -0.737 3.247 0.208) 3.336 8.932 ( 0.667 3.343 0.075) 3.410 8.954 ( 1.191 2.594 -0.199) 2.861 9.375 ( -0.346 -11.874 0.353) 11.884 9.445 ( -0.786 -5.915 -0.361) 5.977 9.502 ( 0.661 -4.418 -0.828) 4.543 9.517 ( -0.436 -8.683 1.018) 8.753 9.573 ( 0.065 -5.864 0.592) 5.894 9.721 ( 1.999 0.037 1.600) 2.560 9.761 ( -0.892 -0.453 -2.722) 2.900 9.919 ( 0.452 -8.581 0.147) 8.594 10.045 ( 0.557 -23.485 -0.041) 23.491 10.159 ( 1.329 -14.467 -0.704) 14.545 10.182 ( -0.200 -13.117 0.297) 13.122 10.235 ( -0.689 -17.842 0.395) 17.860 10.632 ( -2.127 17.249 -1.837) 17.476 10.704 ( 3.512 14.962 3.351) 15.729 10.826 ( -2.053 12.812 -0.579) 12.988 11.030 ( 0.213 4.793 4.552) 6.613 11.069 ( -0.793 1.117 -0.446) 1.440 11.125 ( -1.655 13.187 -6.284) 14.701 11.172 ( 2.176 6.366 5.760) 8.857 11.226 ( -0.567 5.828 -5.562) 8.077 11.327 ( 0.965 2.086 0.282) 2.316 11.399 ( -1.720 3.865 1.814) 4.603 11.626 ( 13.503 19.795 -0.170) 23.963 12.010 ( -14.542 16.229 1.433) 21.838 12.190 ( 0.533 6.647 -0.781) 6.714 12.219 ( -3.293 10.113 -1.574) 10.751 12.246 ( -3.019 6.882 -0.687) 7.546 12.376 ( -0.249 7.753 0.303) 7.763 14.170 ( 0.144 8.502 0.398) 8.512 14.213 ( 0.064 9.149 -0.190) 9.151 14.316 ( -2.117 6.953 -0.195) 7.271 14.376 ( -0.016 10.194 0.100) 10.194 14.620 ( -0.781 1.069 -0.345) 1.368 14.758 ( 0.588 -1.081 1.052) 1.619 14.802 ( 0.384 0.809 0.357) 0.964 14.889 ( -0.472 2.894 -1.162) 3.154 14.990 ( -0.201 5.634 0.035) 5.637 15.072 ( 2.733 7.047 1.591) 7.724 15.160 ( -4.150 11.622 -2.863) 12.669 15.200 ( -0.237 10.103 1.137) 10.170 15.438 ( -3.020 5.293 -0.422) 6.109 15.537 ( 1.750 8.865 4.978) 10.317 15.578 ( 1.859 9.722 -5.997) 11.573 15.887 ( 1.322 4.377 1.220) 4.732 16.422 ( -4.880 -0.378 -3.866) 6.237 16.863 ( 8.696 -1.842 9.177) 12.776 17.043 ( -1.207 3.514 -4.808) 6.076 17.247 ( -7.093 0.262 0.161) 7.099 17.415 ( -3.170 0.562 0.061) 3.220 17.555 ( -1.305 -1.338 0.334) 1.899 17.775 ( 0.085 -0.783 -3.905) 3.983 17.992 ( 2.913 -7.932 0.970) 8.506 18.075 ( -0.282 1.643 0.504) 1.741 18.153 ( -0.522 3.446 0.049) 3.485 18.247 ( 1.526 5.863 0.247) 6.063 18.331 ( -3.637 5.454 -1.406) 6.705 18.583 ( -1.524 -1.011 -0.028) 1.829 18.649 ( 0.703 -0.464 1.233) 1.493 18.714 ( -1.025 -0.811 -1.515) 2.001 18.759 ( 0.561 -0.946 0.213) 1.121 21.664 ( -1.094 2.149 -0.410) 2.446 21.767 ( 1.193 -1.068 -0.820) 1.799 21.785 ( 0.807 -1.169 2.832) 3.168 21.944 ( -0.983 -0.692 0.098) 1.206 22.223 ( -0.380 0.958 1.103) 1.510 22.314 ( -0.341 -2.087 -0.329) 2.140 22.392 ( 4.019 -6.917 -2.669) 8.434 22.499 ( 0.269 -5.119 3.768) 6.362 22.572 ( -2.707 -6.497 -3.818) 8.007 22.757 ( 1.088 -5.785 1.138) 5.996 23.043 ( 0.329 -3.315 -0.075) 3.332 23.072 ( 1.653 -2.680 2.087) 3.778 23.099 ( 0.567 -3.132 -1.979) 3.748 23.172 ( 0.463 -3.200 0.063) 3.234 23.285 ( 0.456 -3.543 0.126) 3.574 23.357 ( 0.080 -4.648 0.220) 4.654 ======================= Grid point 15 (10/66) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.000 21.774 0.000) 21.774 1.530 ( 0.000 18.005 0.000) 18.005 1.738 ( 0.000 7.578 0.000) 7.578 1.925 ( 0.000 21.039 0.000) 21.039 2.004 ( 0.000 6.916 0.000) 6.916 2.072 ( 0.000 12.109 0.000) 12.109 2.437 ( 0.000 10.876 0.000) 10.876 2.469 ( 0.000 11.294 0.000) 11.294 2.507 ( 0.000 9.660 0.000) 9.660 2.667 ( 0.000 3.506 0.000) 3.506 2.744 ( 0.000 5.498 0.000) 5.498 2.746 ( 0.000 -1.603 0.000) 1.603 2.818 ( 0.000 -3.353 0.000) 3.353 2.876 ( 0.000 1.731 0.000) 1.731 2.959 ( 0.000 1.760 0.000) 1.760 3.068 ( 0.000 0.560 0.000) 0.560 3.127 ( 0.000 -3.147 0.000) 3.147 3.166 ( 0.000 -2.234 0.000) 2.234 3.291 ( 0.000 17.403 0.000) 17.403 3.302 ( 0.000 1.047 0.000) 1.047 3.398 ( 0.000 4.856 0.000) 4.856 3.457 ( 0.000 2.346 0.000) 2.346 3.513 ( 0.000 -2.671 0.000) 2.671 3.626 ( 0.000 0.447 0.000) 0.447 3.861 ( 0.000 -5.885 0.000) 5.885 3.916 ( 0.000 -5.911 0.000) 5.911 3.936 ( 0.000 -3.054 0.000) 3.054 4.049 ( 0.000 -5.529 0.000) 5.529 4.179 ( 0.000 -4.825 0.000) 4.825 4.258 ( 0.000 -4.718 0.000) 4.718 4.425 ( 0.000 13.063 0.000) 13.063 4.565 ( 0.000 -0.166 0.000) 0.166 4.593 ( 0.000 -3.370 0.000) 3.370 4.639 ( 0.000 -1.326 0.000) 1.326 4.763 ( 0.000 11.737 0.000) 11.737 4.846 ( 0.000 1.025 0.000) 1.025 4.898 ( 0.000 -3.572 0.000) 3.572 4.961 ( 0.000 -0.002 0.000) 0.002 4.978 ( 0.000 -2.822 0.000) 2.822 5.054 ( 0.000 1.624 0.000) 1.624 5.083 ( 0.000 -2.645 0.000) 2.645 5.137 ( 0.000 -5.586 0.000) 5.586 5.176 ( 0.000 -0.935 0.000) 0.935 5.277 ( 0.000 -2.918 0.000) 2.918 5.317 ( 0.000 -1.556 0.000) 1.556 5.363 ( 0.000 -4.524 0.000) 4.524 5.416 ( 0.000 -8.390 0.000) 8.390 5.514 ( 0.000 0.597 0.000) 0.597 5.572 ( 0.000 -1.292 0.000) 1.292 5.605 ( 0.000 -1.262 0.000) 1.262 5.690 ( 0.000 4.099 0.000) 4.099 5.700 ( 0.000 2.198 0.000) 2.198 5.857 ( 0.000 1.958 0.000) 1.958 5.964 ( 0.000 1.181 0.000) 1.181 6.006 ( 0.000 4.111 0.000) 4.111 6.006 ( 0.000 2.719 0.000) 2.719 6.193 ( 0.000 1.093 0.000) 1.093 6.231 ( 0.000 -1.647 0.000) 1.647 6.395 ( 0.000 1.853 0.000) 1.853 6.421 ( 0.000 1.884 0.000) 1.884 6.483 ( 0.000 -1.153 0.000) 1.153 6.497 ( 0.000 1.919 0.000) 1.919 6.527 ( 0.000 3.553 0.000) 3.553 6.543 ( 0.000 2.978 0.000) 2.978 6.723 ( 0.000 5.421 0.000) 5.421 6.855 ( 0.000 -0.225 0.000) 0.225 6.868 ( 0.000 2.581 0.000) 2.581 6.991 ( 0.000 -4.578 0.000) 4.578 7.001 ( 0.000 -0.007 0.000) 0.007 7.058 ( 0.000 0.315 0.000) 0.315 7.153 ( 0.000 1.217 0.000) 1.217 7.212 ( 0.000 -7.037 0.000) 7.037 7.262 ( 0.000 1.401 0.000) 1.401 7.281 ( 0.000 -0.160 0.000) 0.160 7.393 ( 0.000 -5.449 0.000) 5.449 7.438 ( 0.000 -2.543 0.000) 2.543 7.513 ( 0.000 -0.686 0.000) 0.686 7.595 ( 0.000 -2.713 0.000) 2.713 7.726 ( 0.000 -6.406 0.000) 6.406 7.769 ( 0.000 -2.625 0.000) 2.625 7.962 ( 0.000 -4.730 0.000) 4.730 7.962 ( 0.000 -1.460 0.000) 1.460 8.021 ( 0.000 -1.908 0.000) 1.908 8.085 ( 0.000 -0.195 0.000) 0.195 8.227 ( 0.000 1.895 0.000) 1.895 8.405 ( 0.000 2.774 0.000) 2.774 8.505 ( 0.000 1.301 0.000) 1.301 8.523 ( 0.000 -0.724 0.000) 0.724 8.821 ( 0.000 3.112 0.000) 3.112 8.839 ( 0.000 -4.243 0.000) 4.243 8.879 ( 0.000 -4.912 0.000) 4.912 8.896 ( 0.000 -4.088 0.000) 4.088 9.207 ( 0.000 -9.880 0.000) 9.880 9.242 ( 0.000 -15.766 0.000) 15.766 9.304 ( 0.000 -7.564 0.000) 7.564 9.376 ( 0.000 -4.317 0.000) 4.317 9.487 ( 0.000 -9.841 0.000) 9.841 9.557 ( 0.000 -7.628 0.000) 7.628 9.613 ( 0.000 -9.536 0.000) 9.536 9.747 ( 0.000 -11.518 0.000) 11.518 9.817 ( 0.000 -1.343 0.000) 1.343 9.914 ( 0.000 -8.508 0.000) 8.508 9.964 ( 0.000 -5.656 0.000) 5.656 10.010 ( 0.000 -4.084 0.000) 4.084 10.787 ( 0.000 7.407 0.000) 7.407 10.992 ( 0.000 0.178 0.000) 0.178 11.013 ( 0.000 0.592 0.000) 0.592 11.063 ( 0.000 -0.593 0.000) 0.593 11.083 ( 0.000 1.064 0.000) 1.064 11.212 ( 0.000 6.184 0.000) 6.184 11.220 ( 0.000 -1.337 0.000) 1.337 11.279 ( 0.000 0.591 0.000) 0.591 11.522 ( 0.000 17.048 0.000) 17.048 11.657 ( 0.000 18.874 0.000) 18.874 11.706 ( 0.000 18.654 0.000) 18.654 12.138 ( 0.000 2.296 0.000) 2.296 12.290 ( 0.000 1.929 0.000) 1.929 12.382 ( 0.000 1.912 0.000) 1.912 12.486 ( 0.000 4.795 0.000) 4.795 12.719 ( 0.000 -1.226 0.000) 1.226 14.317 ( 0.000 7.344 0.000) 7.344 14.371 ( 0.000 8.097 0.000) 8.097 14.455 ( 0.000 1.758 0.000) 1.758 14.554 ( 0.000 6.885 0.000) 6.885 14.679 ( 0.000 0.956 0.000) 0.956 14.735 ( 0.000 -0.771 0.000) 0.771 14.738 ( 0.000 0.587 0.000) 0.587 14.949 ( 0.000 -0.269 0.000) 0.269 15.155 ( 0.000 9.317 0.000) 9.317 15.279 ( 0.000 7.817 0.000) 7.817 15.290 ( 0.000 10.163 0.000) 10.163 15.456 ( 0.000 3.223 0.000) 3.223 15.551 ( 0.000 3.404 0.000) 3.404 15.676 ( 0.000 3.084 0.000) 3.084 15.737 ( 0.000 3.551 0.000) 3.551 15.817 ( 0.000 1.612 0.000) 1.612 16.446 ( 0.000 9.426 0.000) 9.426 16.843 ( 0.000 3.839 0.000) 3.839 16.989 ( 0.000 -0.387 0.000) 0.387 17.520 ( 0.000 -3.704 0.000) 3.704 17.522 ( 0.000 2.296 0.000) 2.296 17.571 ( 0.000 -6.956 0.000) 6.956 17.645 ( 0.000 2.399 0.000) 2.399 18.000 ( 0.000 -0.803 0.000) 0.803 18.141 ( 0.000 5.117 0.000) 5.117 18.261 ( 0.000 3.653 0.000) 3.653 18.278 ( 0.000 3.555 0.000) 3.555 18.403 ( 0.000 -4.199 0.000) 4.199 18.602 ( 0.000 -2.342 0.000) 2.342 18.658 ( 0.000 -2.413 0.000) 2.413 18.710 ( 0.000 -2.765 0.000) 2.765 18.733 ( 0.000 -5.581 0.000) 5.581 21.673 ( 0.000 2.048 0.000) 2.048 21.731 ( 0.000 0.320 0.000) 0.320 21.767 ( 0.000 1.327 0.000) 1.327 21.875 ( 0.000 -0.758 0.000) 0.758 22.244 ( 0.000 2.578 0.000) 2.578 22.358 ( 0.000 0.154 0.000) 0.154 22.364 ( 0.000 -2.795 0.000) 2.795 22.469 ( 0.000 -3.187 0.000) 3.187 22.490 ( 0.000 -3.757 0.000) 3.757 22.536 ( 0.000 -5.026 0.000) 5.026 22.920 ( 0.000 0.435 0.000) 0.435 23.004 ( 0.000 -2.377 0.000) 2.377 23.027 ( 0.000 -2.486 0.000) 2.486 23.092 ( 0.000 -3.792 0.000) 3.792 23.203 ( 0.000 -3.301 0.000) 3.301 23.253 ( 0.000 -5.016 0.000) 5.016 ======================= Grid point 16 (11/66) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 4.828 15.951 1.655) 16.748 1.567 ( 4.132 17.293 3.444) 18.110 1.726 ( -1.326 9.717 -0.909) 9.849 1.897 ( -2.859 18.284 3.424) 18.821 1.984 ( -0.995 14.749 -0.376) 14.787 2.091 ( 1.652 11.428 -3.659) 12.113 2.423 ( -7.317 11.746 0.715) 13.857 2.467 ( -1.462 8.820 -3.751) 9.695 2.485 ( 2.577 8.532 2.471) 9.248 2.601 ( -2.092 3.567 -3.576) 5.467 2.693 ( -3.711 6.898 2.048) 8.096 2.776 ( -2.199 -3.658 4.008) 5.855 2.845 ( 4.678 -2.825 -4.498) 7.077 2.904 ( 0.691 3.779 -0.093) 3.842 2.972 ( 3.841 0.308 1.146) 4.020 3.090 ( 1.548 -0.906 -2.270) 2.893 3.131 ( -1.718 -0.256 -0.853) 1.935 3.155 ( 1.342 1.091 3.095) 3.546 3.243 ( -5.989 1.715 0.602) 6.259 3.276 ( -1.045 12.234 -2.937) 12.625 3.387 ( 0.337 2.797 -1.810) 3.348 3.476 ( 1.099 -0.666 1.838) 2.243 3.573 ( 3.441 -4.365 0.255) 5.564 3.652 ( 4.202 5.712 1.082) 7.173 3.820 ( -4.117 -2.432 0.940) 4.873 3.843 ( -2.879 -5.413 -3.602) 7.111 3.945 ( -0.968 -3.257 3.411) 4.815 4.053 ( -0.600 -3.729 -0.691) 3.839 4.217 ( 2.610 -4.373 0.786) 5.153 4.260 ( 1.213 -3.823 -3.970) 5.644 4.414 ( -4.659 3.141 3.237) 6.485 4.535 ( 0.915 3.238 0.873) 3.476 4.608 ( -0.798 0.889 2.837) 3.078 4.637 ( -0.305 -0.749 1.139) 1.397 4.769 ( 0.654 8.131 1.040) 8.223 4.816 ( -2.542 0.049 -2.087) 3.289 4.870 ( -2.607 -3.347 -3.523) 5.515 4.927 ( -1.948 -2.487 0.379) 3.181 4.996 ( -1.639 1.993 -1.571) 3.021 5.014 ( -0.121 -2.365 1.754) 2.947 5.074 ( 0.267 -3.479 2.518) 4.303 5.177 ( 1.193 -6.587 -1.045) 6.776 5.236 ( 3.911 -4.978 1.502) 6.507 5.291 ( 5.769 -1.253 -2.346) 6.352 5.331 ( -3.003 -0.609 -2.279) 3.819 5.419 ( 3.129 -3.993 -0.515) 5.099 5.424 ( 4.482 -0.270 0.026) 4.490 5.512 ( -0.382 -0.120 3.807) 3.828 5.535 ( 0.563 -0.344 -1.263) 1.425 5.572 ( -2.183 -1.203 -5.114) 5.689 5.687 ( 1.572 1.306 1.276) 2.409 5.829 ( 5.196 -1.303 0.803) 5.417 5.867 ( 3.169 2.560 0.623) 4.122 5.968 ( -0.550 3.867 -0.708) 3.970 6.003 ( 1.490 3.662 2.686) 4.780 6.064 ( 2.105 3.120 0.148) 3.767 6.149 ( -4.335 -0.014 0.336) 4.349 6.218 ( 0.002 0.509 -0.682) 0.851 6.235 ( -8.064 2.895 -2.558) 8.942 6.415 ( -1.908 0.616 -0.113) 2.008 6.471 ( -1.267 1.021 0.702) 1.772 6.518 ( -0.794 5.994 0.110) 6.047 6.581 ( 0.854 1.150 1.034) 1.767 6.608 ( 4.975 -0.573 1.801) 5.322 6.709 ( -1.426 2.939 1.457) 3.577 6.761 ( -2.376 -0.720 -0.637) 2.563 6.893 ( -2.169 -1.012 0.040) 2.394 6.935 ( -2.472 -2.436 -0.781) 3.558 7.018 ( -1.649 0.833 -1.600) 2.444 7.075 ( 0.020 -1.851 3.350) 3.827 7.121 ( -0.868 -1.820 -2.215) 2.995 7.228 ( 4.826 -1.908 -0.066) 5.190 7.266 ( 0.970 0.937 2.487) 2.829 7.334 ( 2.335 -1.051 -1.501) 2.968 7.405 ( -1.214 -3.293 -1.467) 3.805 7.461 ( 3.942 -1.295 0.520) 4.182 7.517 ( -0.067 -1.098 1.077) 1.540 7.619 ( 2.356 -2.873 -0.455) 3.743 7.730 ( 0.313 -5.574 -1.029) 5.676 7.775 ( 1.455 -2.644 -3.098) 4.325 7.901 ( -3.717 -3.905 -0.848) 5.458 7.974 ( -1.316 -2.335 1.364) 3.008 7.984 ( -2.042 -3.035 0.776) 3.739 8.126 ( 2.270 -0.801 -0.092) 2.409 8.225 ( -0.049 2.702 1.113) 2.922 8.410 ( -1.092 3.712 -0.496) 3.902 8.456 ( -1.985 -0.451 1.438) 2.492 8.550 ( 0.949 1.370 -0.233) 1.683 8.792 ( -1.683 0.192 -0.149) 1.700 8.853 ( -0.677 0.151 0.748) 1.020 8.877 ( 1.382 -5.654 0.043) 5.821 8.913 ( 1.202 -4.536 -0.518) 4.721 9.145 ( -3.191 -13.136 -0.541) 13.529 9.300 ( 2.217 -13.041 1.225) 13.285 9.321 ( 0.915 -7.745 1.963) 8.042 9.364 ( 0.152 -6.008 -3.027) 6.729 9.459 ( -3.055 -8.298 0.597) 8.863 9.558 ( 1.875 -11.170 -0.446) 11.335 9.653 ( 2.416 -7.579 -0.429) 7.966 9.736 ( -1.198 -11.113 0.821) 11.208 9.819 ( 0.186 -0.922 -0.768) 1.214 9.906 ( -0.317 -7.933 -0.739) 7.974 9.955 ( -0.924 -7.314 0.566) 7.393 10.035 ( 1.941 -3.296 0.339) 3.840 10.811 ( 2.055 6.692 2.058) 7.296 10.918 ( -3.924 4.370 -2.617) 6.430 11.007 ( -2.101 -0.180 -0.081) 2.110 11.069 ( -0.059 0.982 0.252) 1.016 11.100 ( 0.947 -0.993 1.329) 1.910 11.195 ( -2.481 0.728 -0.448) 2.624 11.255 ( 4.264 3.879 -3.087) 6.539 11.269 ( 0.175 0.089 0.830) 0.853 11.573 ( 0.265 14.251 7.126) 15.936 11.637 ( 0.154 20.173 -2.218) 20.295 11.768 ( 7.745 18.342 -3.426) 20.203 12.158 ( 1.624 2.340 1.397) 3.172 12.288 ( 0.151 2.566 -1.369) 2.913 12.369 ( -1.515 1.806 0.119) 2.361 12.478 ( -1.113 4.491 0.783) 4.693 12.624 ( -9.195 1.795 -0.703) 9.395 14.321 ( 0.236 7.416 0.412) 7.431 14.369 ( 0.001 7.529 -0.132) 7.531 14.444 ( -1.217 2.906 0.097) 3.152 14.556 ( 0.142 7.125 0.064) 7.127 14.664 ( -0.967 1.442 -1.307) 2.173 14.733 ( 0.694 -0.200 0.002) 0.722 14.763 ( 1.120 -0.384 2.014) 2.336 14.935 ( -1.084 -0.195 -1.212) 1.637 15.182 ( 2.090 9.146 2.077) 9.609 15.208 ( -3.818 10.143 -2.057) 11.032 15.302 ( -0.053 4.771 0.772) 4.833 15.439 ( -3.228 2.755 -0.032) 4.244 15.600 ( 0.634 4.539 -0.212) 4.588 15.663 ( -0.173 8.381 -0.232) 8.386 15.684 ( 1.034 4.510 -2.160) 5.106 15.875 ( 3.986 0.833 1.343) 4.288 16.554 ( 5.989 8.656 3.715) 11.162 16.730 ( -3.943 2.336 -5.798) 7.391 17.055 ( 2.798 1.581 4.726) 5.715 17.412 ( -6.529 -2.204 -1.289) 7.011 17.534 ( 0.279 -2.464 2.178) 3.300 17.573 ( -4.735 5.147 -0.295) 7.000 17.688 ( 3.840 -6.219 0.991) 7.376 17.910 ( -5.596 -1.261 -5.119) 7.688 18.149 ( -0.114 4.488 0.768) 4.555 18.237 ( -1.161 3.640 -0.100) 3.822 18.302 ( 1.556 3.673 0.146) 3.992 18.405 ( -0.048 -2.566 -0.935) 2.732 18.588 ( -1.171 -2.014 0.725) 2.440 18.647 ( -2.185 -1.712 0.624) 2.846 18.702 ( 0.521 -2.771 -0.188) 2.826 18.714 ( -0.957 -3.125 -1.536) 3.611 21.707 ( 2.061 0.758 2.104) 3.041 21.740 ( -0.259 0.914 1.293) 1.604 21.749 ( -0.018 1.007 -1.344) 1.680 21.899 ( 1.852 -2.038 -0.477) 2.795 22.232 ( -1.048 1.542 -0.076) 1.865 22.308 ( -2.762 -1.473 -0.644) 3.196 22.348 ( -3.030 -0.197 0.577) 3.091 22.427 ( 0.836 -1.430 1.120) 1.999 22.504 ( -0.524 -5.772 -3.374) 6.706 22.601 ( 3.338 -4.975 1.366) 6.145 22.952 ( 2.094 -1.472 1.001) 2.748 23.008 ( 0.513 -2.054 -0.379) 2.151 23.028 ( 0.434 -2.874 0.180) 2.912 23.097 ( 0.626 -3.342 -0.419) 3.426 23.211 ( 0.599 -3.210 -0.164) 3.270 23.257 ( 0.392 -4.780 0.339) 4.808 ======================= Grid point 17 (12/66) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 4.366 7.913 0.102) 9.038 1.625 ( -3.389 9.021 1.051) 9.694 1.780 ( 8.124 18.892 3.136) 20.802 1.872 ( -0.918 18.766 1.622) 18.858 1.988 ( 2.310 15.333 2.494) 15.705 2.098 ( 1.189 15.736 -3.940) 16.265 2.256 ( -12.800 8.455 -5.723) 16.373 2.304 ( -5.593 13.901 1.944) 15.110 2.546 ( 2.019 6.813 0.553) 7.127 2.629 ( 3.238 4.427 -2.095) 5.872 2.662 ( -0.650 6.246 1.016) 6.361 2.750 ( -1.202 -5.905 1.334) 6.172 2.880 ( 1.009 3.196 -1.458) 3.655 2.952 ( 3.592 -3.853 -2.288) 5.743 3.012 ( -0.875 7.047 1.624) 7.284 3.095 ( -4.092 -4.150 3.014) 6.561 3.122 ( 1.997 3.659 0.398) 4.188 3.145 ( -0.936 -5.376 -1.195) 5.586 3.180 ( 0.203 4.560 0.150) 4.567 3.259 ( 0.124 10.344 -0.885) 10.382 3.398 ( 1.554 -0.066 -0.780) 1.740 3.465 ( -2.405 0.124 0.065) 2.409 3.619 ( 1.725 -2.412 -1.398) 3.279 3.746 ( -0.647 -0.506 -1.906) 2.076 3.776 ( 1.734 4.317 2.959) 5.513 3.826 ( 3.069 -6.870 0.719) 7.558 3.946 ( 0.078 0.719 1.653) 1.804 4.008 ( -3.311 0.473 -0.988) 3.488 4.238 ( -0.299 -5.433 0.615) 5.476 4.257 ( -1.115 -5.723 -1.493) 6.018 4.374 ( 3.977 -1.831 -4.618) 6.364 4.493 ( -9.942 4.100 6.881) 12.767 4.598 ( 2.003 -0.314 3.531) 4.072 4.674 ( 1.733 2.553 -0.492) 3.124 4.751 ( -1.330 -0.942 -4.483) 4.770 4.801 ( 1.258 0.373 1.657) 2.114 4.820 ( -1.521 9.165 -0.328) 9.296 4.925 ( -1.357 2.746 -1.672) 3.490 4.947 ( 2.496 -6.049 -3.414) 7.381 5.019 ( -1.376 -8.193 2.319) 8.625 5.121 ( 2.309 -3.281 2.805) 4.896 5.141 ( -2.782 -8.930 2.228) 9.615 5.238 ( -4.145 0.186 -2.661) 4.929 5.320 ( 2.655 -6.813 0.420) 7.324 5.405 ( 4.206 -1.820 1.534) 4.832 5.454 ( 0.404 -0.372 -1.309) 1.420 5.465 ( 0.200 -4.903 -2.953) 5.727 5.528 ( 1.829 3.230 -2.287) 4.360 5.531 ( 1.928 0.195 -0.043) 1.938 5.614 ( 1.662 6.253 1.575) 6.659 5.776 ( 9.161 -2.459 0.021) 9.486 5.844 ( -3.301 4.362 0.102) 5.471 5.927 ( 3.161 2.367 2.298) 4.569 5.968 ( 1.488 0.300 -3.751) 4.047 5.985 ( -7.457 1.856 1.334) 7.800 6.041 ( -5.011 -1.910 0.646) 5.401 6.110 ( 2.383 5.955 2.781) 6.991 6.135 ( -1.075 5.057 -1.071) 5.279 6.268 ( 3.258 2.519 -0.573) 4.159 6.354 ( -4.434 -0.741 0.677) 4.547 6.448 ( -1.174 -1.189 0.282) 1.694 6.477 ( -2.514 1.512 -2.884) 4.114 6.542 ( -0.286 2.425 0.507) 2.494 6.698 ( 2.914 -2.399 1.915) 4.233 6.730 ( 1.375 2.642 2.455) 3.860 6.761 ( -0.512 -3.165 -0.828) 3.311 6.835 ( -0.900 -0.726 1.117) 1.608 6.884 ( -2.626 -0.833 -1.369) 3.077 6.981 ( -1.722 2.512 -2.585) 3.995 7.068 ( 0.957 -1.772 0.089) 2.016 7.142 ( 0.604 -1.587 1.520) 2.278 7.257 ( -0.830 -4.176 2.100) 4.747 7.310 ( -0.605 0.131 -2.031) 2.123 7.372 ( 4.564 0.252 1.251) 4.739 7.429 ( 2.262 -2.592 -0.501) 3.477 7.498 ( 0.877 3.566 -1.386) 3.925 7.527 ( 1.106 -3.154 -0.081) 3.344 7.631 ( -2.893 -3.108 0.791) 4.319 7.741 ( 2.990 -4.890 -0.410) 5.746 7.796 ( 0.908 -2.218 -3.529) 4.266 7.841 ( -2.196 -3.808 1.274) 4.577 7.921 ( -2.309 -4.333 0.150) 4.913 7.983 ( -0.069 -2.525 0.603) 2.597 8.142 ( -0.072 -1.390 0.076) 1.394 8.249 ( 1.779 2.046 0.921) 2.863 8.347 ( -3.382 3.710 -0.309) 5.029 8.462 ( 0.417 1.657 0.714) 1.852 8.555 ( -0.082 2.677 -0.110) 2.680 8.771 ( -0.495 -0.201 -0.161) 0.558 8.839 ( -0.562 0.513 0.362) 0.843 8.911 ( 1.448 -5.223 -0.411) 5.435 8.929 ( 0.527 -4.759 0.149) 4.790 9.103 ( -1.110 -14.522 -0.123) 14.565 9.313 ( 0.605 -9.370 -2.740) 9.781 9.323 ( -1.763 -7.559 3.874) 8.675 9.383 ( 1.586 -9.901 -1.074) 10.085 9.416 ( -1.151 -11.033 0.412) 11.100 9.609 ( 3.341 -11.190 -1.436) 11.766 9.661 ( -1.916 -10.061 1.046) 10.295 9.729 ( 0.390 -7.885 0.307) 7.901 9.812 ( -0.415 0.039 -0.610) 0.739 9.908 ( 0.757 -8.214 -0.807) 8.288 9.938 ( -1.083 -7.744 0.809) 7.861 10.067 ( 1.010 -2.997 0.123) 3.165 10.852 ( -1.445 6.544 -0.750) 6.744 10.877 ( 3.063 5.047 2.502) 6.412 10.952 ( -3.110 2.309 -1.846) 4.291 11.071 ( 0.406 1.254 -0.117) 1.324 11.099 ( -1.333 0.674 0.512) 1.578 11.161 ( -0.438 -1.590 0.047) 1.650 11.282 ( 0.663 -0.143 -0.185) 0.703 11.320 ( 2.933 0.455 -2.103) 3.638 11.551 ( -3.262 17.873 5.756) 19.059 11.654 ( 1.395 19.697 -2.834) 19.949 11.960 ( 11.862 13.292 -2.372) 17.972 12.187 ( -1.168 4.458 2.804) 5.395 12.286 ( 0.462 3.514 -0.844) 3.643 12.332 ( -1.840 2.431 0.163) 3.053 12.388 ( -8.821 6.478 -0.691) 10.966 12.491 ( -1.312 4.081 -0.071) 4.287 14.326 ( 0.103 7.394 0.238) 7.399 14.375 ( 0.617 7.217 0.046) 7.244 14.417 ( -1.352 4.343 -0.071) 4.550 14.558 ( 0.053 7.149 -0.038) 7.150 14.645 ( -0.485 1.752 -0.563) 1.903 14.753 ( 0.838 0.631 0.530) 1.176 14.789 ( 0.657 -1.354 0.754) 1.683 14.907 ( -0.969 0.146 -0.889) 1.323 15.149 ( -1.385 8.664 -0.743) 8.806 15.245 ( 2.719 8.937 3.080) 9.836 15.297 ( -0.453 3.046 -0.462) 3.114 15.362 ( -3.283 6.204 -1.830) 7.254 15.549 ( -2.368 6.687 -0.880) 7.148 15.635 ( -0.065 3.799 -1.424) 4.058 15.817 ( 5.965 9.812 2.143) 11.681 15.935 ( 1.191 0.720 1.455) 2.014 16.478 ( -5.382 6.683 -5.145) 10.005 16.881 ( 11.077 4.869 7.299) 14.131 17.110 ( 2.430 3.354 -0.588) 4.184 17.266 ( -9.766 0.123 -1.378) 9.863 17.423 ( -6.155 0.445 -1.052) 6.260 17.548 ( 0.150 0.334 0.889) 0.961 17.743 ( 2.323 -2.799 -3.237) 4.869 17.837 ( -1.446 -6.586 1.249) 6.858 18.142 ( -0.378 4.179 -0.101) 4.197 18.224 ( -0.327 3.909 0.210) 3.928 18.336 ( 1.950 3.335 0.104) 3.865 18.384 ( -1.631 0.497 -0.706) 1.845 18.563 ( -1.256 -0.870 0.316) 1.560 18.634 ( 0.505 -1.107 1.196) 1.706 18.684 ( -1.138 -2.282 -1.543) 2.981 18.719 ( 0.575 -2.911 0.144) 2.971 21.711 ( -0.718 2.661 -0.112) 2.759 21.752 ( 0.675 -0.337 0.657) 1.001 21.770 ( 1.179 -0.441 0.090) 1.262 21.914 ( -0.178 -2.282 0.252) 2.302 22.228 ( 0.891 -0.655 0.471) 1.202 22.264 ( -1.649 -2.141 -0.861) 2.836 22.320 ( -0.395 -1.102 -0.042) 1.172 22.443 ( -0.497 -0.887 2.365) 2.574 22.480 ( 0.136 -3.349 -3.228) 4.654 22.640 ( 0.651 -6.224 0.726) 6.300 22.975 ( 0.283 -3.384 0.131) 3.399 23.009 ( -0.354 -3.585 1.035) 3.748 23.054 ( 1.571 -1.598 -1.267) 2.574 23.109 ( 0.545 -3.132 0.027) 3.179 23.218 ( 0.190 -3.207 0.117) 3.215 23.268 ( 0.399 -4.415 0.160) 4.436 ======================= Grid point 20 (13/66) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 18.576 0.000) 18.576 1.925 ( 0.000 10.776 0.000) 10.776 1.955 ( 0.000 22.942 0.000) 22.942 2.203 ( 0.000 13.238 0.000) 13.238 2.208 ( 0.000 7.943 0.000) 7.943 2.394 ( 0.000 15.138 0.000) 15.138 2.472 ( 0.000 -13.693 0.000) 13.693 2.612 ( 0.000 6.961 0.000) 6.961 2.669 ( 0.000 4.802 0.000) 4.802 2.706 ( 0.000 3.184 0.000) 3.184 2.724 ( 0.000 -1.368 0.000) 1.368 2.764 ( 0.000 5.160 0.000) 5.160 2.846 ( 0.000 0.822 0.000) 0.822 2.855 ( 0.000 -1.587 0.000) 1.587 2.898 ( 0.000 -4.321 0.000) 4.321 2.985 ( 0.000 -7.377 0.000) 7.377 3.094 ( 0.000 -0.292 0.000) 0.292 3.135 ( 0.000 -0.212 0.000) 0.212 3.238 ( 0.000 -6.301 0.000) 6.301 3.357 ( 0.000 -4.577 0.000) 4.577 3.467 ( 0.000 2.505 0.000) 2.505 3.492 ( 0.000 1.121 0.000) 1.121 3.514 ( 0.000 0.929 0.000) 0.929 3.658 ( 0.000 -4.101 0.000) 4.101 3.754 ( 0.000 -2.619 0.000) 2.619 3.846 ( 0.000 -5.472 0.000) 5.472 3.862 ( 0.000 1.077 0.000) 1.077 3.980 ( 0.000 -1.420 0.000) 1.420 4.080 ( 0.000 -5.188 0.000) 5.188 4.260 ( 0.000 4.641 0.000) 4.641 4.354 ( 0.000 -18.170 0.000) 18.170 4.561 ( 0.000 1.141 0.000) 1.141 4.571 ( 0.000 -2.949 0.000) 2.949 4.607 ( 0.000 -1.675 0.000) 1.675 4.845 ( 0.000 -2.146 0.000) 2.146 4.868 ( 0.000 1.564 0.000) 1.564 4.878 ( 0.000 3.140 0.000) 3.140 4.944 ( 0.000 -3.144 0.000) 3.144 5.009 ( 0.000 2.143 0.000) 2.143 5.075 ( 0.000 -3.798 0.000) 3.798 5.117 ( 0.000 -0.305 0.000) 0.305 5.155 ( 0.000 10.166 0.000) 10.166 5.239 ( 0.000 -4.463 0.000) 4.463 5.260 ( 0.000 0.435 0.000) 0.435 5.276 ( 0.000 13.577 0.000) 13.577 5.324 ( 0.000 0.264 0.000) 0.264 5.455 ( 0.000 10.120 0.000) 10.120 5.509 ( 0.000 -1.009 0.000) 1.009 5.576 ( 0.000 2.017 0.000) 2.017 5.632 ( 0.000 10.122 0.000) 10.122 5.749 ( 0.000 0.904 0.000) 0.904 5.807 ( 0.000 6.039 0.000) 6.039 5.909 ( 0.000 3.462 0.000) 3.462 5.942 ( 0.000 -1.380 0.000) 1.380 6.025 ( 0.000 -3.004 0.000) 3.004 6.063 ( 0.000 -1.323 0.000) 1.323 6.235 ( 0.000 2.613 0.000) 2.613 6.244 ( 0.000 3.523 0.000) 3.523 6.376 ( 0.000 -5.516 0.000) 5.516 6.389 ( 0.000 -1.735 0.000) 1.735 6.502 ( 0.000 5.523 0.000) 5.523 6.513 ( 0.000 0.840 0.000) 0.840 6.624 ( 0.000 6.016 0.000) 6.016 6.646 ( 0.000 4.776 0.000) 4.776 6.802 ( 0.000 -5.952 0.000) 5.952 6.826 ( 0.000 5.444 0.000) 5.444 6.861 ( 0.000 -4.715 0.000) 4.715 6.907 ( 0.000 -3.721 0.000) 3.721 6.918 ( 0.000 -8.364 0.000) 8.364 7.057 ( 0.000 -0.980 0.000) 0.980 7.113 ( 0.000 0.741 0.000) 0.741 7.182 ( 0.000 0.993 0.000) 0.993 7.235 ( 0.000 -4.189 0.000) 4.189 7.242 ( 0.000 -9.088 0.000) 9.088 7.318 ( 0.000 2.876 0.000) 2.876 7.424 ( 0.000 1.170 0.000) 1.170 7.541 ( 0.000 2.951 0.000) 2.951 7.583 ( 0.000 0.931 0.000) 0.931 7.611 ( 0.000 -4.870 0.000) 4.870 7.725 ( 0.000 -3.204 0.000) 3.204 7.907 ( 0.000 -0.817 0.000) 0.817 7.954 ( 0.000 -2.548 0.000) 2.548 7.982 ( 0.000 2.284 0.000) 2.284 8.118 ( 0.000 1.827 0.000) 1.827 8.269 ( 0.000 2.644 0.000) 2.644 8.421 ( 0.000 -2.705 0.000) 2.705 8.490 ( 0.000 -2.119 0.000) 2.119 8.523 ( 0.000 2.596 0.000) 2.596 8.710 ( 0.000 -10.301 0.000) 10.301 8.728 ( 0.000 -5.771 0.000) 5.771 8.795 ( 0.000 -5.238 0.000) 5.238 8.839 ( 0.000 -3.599 0.000) 3.599 8.997 ( 0.000 -6.176 0.000) 6.176 9.031 ( 0.000 -7.230 0.000) 7.230 9.189 ( 0.000 -3.608 0.000) 3.608 9.318 ( 0.000 -2.645 0.000) 2.645 9.386 ( 0.000 -0.826 0.000) 0.826 9.419 ( 0.000 -5.991 0.000) 5.991 9.472 ( 0.000 -5.162 0.000) 5.162 9.521 ( 0.000 -8.696 0.000) 8.696 9.819 ( 0.000 0.625 0.000) 0.625 9.844 ( 0.000 -1.099 0.000) 1.099 9.922 ( 0.000 0.175 0.000) 0.175 9.972 ( 0.000 -1.397 0.000) 1.397 10.895 ( 0.000 4.506 0.000) 4.506 10.997 ( 0.000 0.403 0.000) 0.403 11.002 ( 0.000 -1.096 0.000) 1.096 11.041 ( 0.000 -1.690 0.000) 1.690 11.112 ( 0.000 1.775 0.000) 1.775 11.188 ( 0.000 -1.883 0.000) 1.883 11.239 ( 0.000 -0.579 0.000) 0.579 11.256 ( 0.000 -1.867 0.000) 1.867 11.831 ( 0.000 13.059 0.000) 13.059 11.962 ( 0.000 10.808 0.000) 10.808 12.009 ( 0.000 12.133 0.000) 12.133 12.159 ( 0.000 0.675 0.000) 0.675 12.292 ( 0.000 -1.355 0.000) 1.355 12.371 ( 0.000 -2.872 0.000) 2.872 12.568 ( 0.000 3.807 0.000) 3.807 12.686 ( 0.000 -2.260 0.000) 2.260 14.432 ( 0.000 4.656 0.000) 4.656 14.489 ( 0.000 1.419 0.000) 1.419 14.511 ( 0.000 5.990 0.000) 5.990 14.613 ( 0.000 0.113 0.000) 0.113 14.708 ( 0.000 0.666 0.000) 0.666 14.719 ( 0.000 -0.869 0.000) 0.869 14.785 ( 0.000 4.570 0.000) 4.570 14.929 ( 0.000 -1.906 0.000) 1.906 15.302 ( 0.000 5.503 0.000) 5.503 15.368 ( 0.000 2.079 0.000) 2.079 15.425 ( 0.000 4.104 0.000) 4.104 15.482 ( 0.000 -0.246 0.000) 0.246 15.610 ( 0.000 2.667 0.000) 2.667 15.688 ( 0.000 -0.962 0.000) 0.962 15.822 ( 0.000 3.570 0.000) 3.570 15.839 ( 0.000 0.940 0.000) 0.940 16.688 ( 0.000 14.288 0.000) 14.288 16.972 ( 0.000 9.395 0.000) 9.395 16.998 ( 0.000 0.223 0.000) 0.223 17.392 ( 0.000 -9.689 0.000) 9.689 17.466 ( 0.000 -3.386 0.000) 3.386 17.506 ( 0.000 -2.789 0.000) 2.789 17.739 ( 0.000 6.097 0.000) 6.097 17.955 ( 0.000 -3.974 0.000) 3.974 18.236 ( 0.000 4.507 0.000) 4.507 18.324 ( 0.000 2.459 0.000) 2.459 18.337 ( 0.000 2.408 0.000) 2.408 18.341 ( 0.000 -1.767 0.000) 1.767 18.563 ( 0.000 -1.354 0.000) 1.354 18.603 ( 0.000 -2.899 0.000) 2.899 18.645 ( 0.000 -3.473 0.000) 3.473 18.650 ( 0.000 -3.138 0.000) 3.138 21.709 ( 0.000 1.571 0.000) 1.571 21.736 ( 0.000 0.061 0.000) 0.061 21.796 ( 0.000 1.641 0.000) 1.641 21.856 ( 0.000 -1.235 0.000) 1.235 22.278 ( 0.000 0.817 0.000) 0.817 22.340 ( 0.000 -2.182 0.000) 2.182 22.345 ( 0.000 0.934 0.000) 0.934 22.415 ( 0.000 -2.711 0.000) 2.711 22.434 ( 0.000 -0.413 0.000) 0.413 22.478 ( 0.000 -2.061 0.000) 2.061 22.933 ( 0.000 1.060 0.000) 1.060 22.965 ( 0.000 -1.374 0.000) 1.374 22.983 ( 0.000 -1.971 0.000) 1.971 23.022 ( 0.000 -3.402 0.000) 3.402 23.152 ( 0.000 -1.786 0.000) 1.786 23.174 ( 0.000 -3.030 0.000) 3.030 ======================= Grid point 21 (14/66) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.419 17.761 0.262) 17.768 1.881 ( -1.661 13.990 0.403) 14.094 2.034 ( 4.939 19.829 1.878) 20.521 2.175 ( -0.418 13.150 2.352) 13.365 2.272 ( 3.171 7.393 -1.390) 8.163 2.362 ( -1.879 14.108 -1.343) 14.296 2.471 ( -0.764 -10.267 0.545) 10.310 2.614 ( -3.224 5.272 -0.829) 6.235 2.646 ( -3.107 7.382 1.862) 8.223 2.657 ( -0.892 3.374 0.434) 3.516 2.702 ( -0.808 1.130 -0.068) 1.391 2.755 ( -0.835 -0.187 -0.870) 1.220 2.830 ( 0.976 0.659 0.852) 1.454 2.869 ( -0.350 -3.287 -1.363) 3.576 2.966 ( 3.395 0.752 -0.418) 3.502 3.017 ( 1.214 -6.403 -0.273) 6.523 3.057 ( -0.245 -3.084 -1.092) 3.281 3.109 ( -1.088 -3.538 -2.502) 4.468 3.219 ( -2.275 -4.085 0.682) 4.725 3.351 ( -0.555 -4.232 -4.037) 5.875 3.451 ( -2.219 2.537 -0.518) 3.410 3.479 ( 2.487 -0.460 -0.125) 2.532 3.517 ( -1.034 -0.273 0.933) 1.419 3.652 ( -0.837 -7.307 0.500) 7.372 3.771 ( 0.275 -0.103 2.639) 2.655 3.810 ( -2.039 1.297 2.691) 3.617 3.903 ( 2.368 -0.795 4.112) 4.811 4.007 ( 2.663 -0.251 -3.296) 4.245 4.117 ( 3.444 -5.834 -1.238) 6.887 4.258 ( 0.072 3.348 -1.369) 3.618 4.398 ( 3.038 -16.180 -0.339) 16.466 4.474 ( -8.603 1.452 1.246) 8.813 4.534 ( -1.622 -5.691 2.218) 6.319 4.630 ( 3.382 -1.814 0.206) 3.843 4.727 ( -9.991 -0.596 -0.468) 10.020 4.856 ( -2.514 -1.532 0.392) 2.970 4.875 ( -3.028 -1.052 -0.283) 3.218 4.941 ( 1.228 -3.562 0.472) 3.798 5.002 ( -3.058 -3.745 0.131) 4.837 5.042 ( 0.063 2.285 -1.687) 2.841 5.124 ( -0.044 0.941 3.247) 3.381 5.161 ( 0.795 9.775 -0.810) 9.840 5.240 ( 2.912 2.905 -2.788) 4.968 5.276 ( 3.752 8.598 -4.395) 10.360 5.371 ( 1.852 1.879 -0.493) 2.684 5.412 ( 8.647 4.077 1.018) 9.614 5.488 ( 2.265 7.122 -0.195) 7.476 5.504 ( 0.582 1.628 2.500) 3.040 5.588 ( 3.244 3.843 -1.953) 5.396 5.633 ( -0.186 9.999 2.589) 10.330 5.731 ( -2.531 1.877 1.344) 3.425 5.805 ( -0.489 0.732 0.278) 0.923 5.880 ( 1.076 -2.368 -0.132) 2.604 5.962 ( 0.618 -2.211 3.392) 4.096 6.067 ( -0.453 1.156 -2.383) 2.687 6.129 ( 5.667 -0.858 -0.065) 5.732 6.198 ( -3.941 2.037 -0.107) 4.437 6.257 ( 1.380 4.832 0.661) 5.069 6.309 ( -2.463 4.081 -1.637) 5.040 6.380 ( 0.979 -3.054 -1.661) 3.611 6.454 ( -2.819 -0.114 -2.326) 3.656 6.585 ( 1.362 -0.512 0.317) 1.489 6.632 ( 0.137 4.127 1.057) 4.263 6.662 ( -3.552 4.541 1.009) 5.853 6.695 ( -3.375 -4.230 -3.204) 6.288 6.756 ( -3.953 -1.378 0.392) 4.205 6.819 ( -3.786 -3.201 -1.052) 5.068 6.895 ( 1.705 -0.078 1.138) 2.051 7.019 ( 2.499 -2.454 2.967) 4.591 7.036 ( -0.827 -2.718 1.311) 3.129 7.076 ( -1.644 -0.489 0.935) 1.953 7.193 ( 0.976 -1.072 2.533) 2.918 7.252 ( 1.923 -4.085 -0.774) 4.581 7.315 ( 3.048 -5.481 0.604) 6.300 7.340 ( 2.593 2.052 0.631) 3.366 7.433 ( 1.022 -0.063 -1.416) 1.747 7.534 ( -0.744 0.064 -1.397) 1.584 7.589 ( -0.639 -3.800 -0.137) 3.856 7.626 ( 3.099 -0.101 -1.385) 3.396 7.730 ( 1.461 -3.087 -3.034) 4.568 7.873 ( -2.785 0.972 -0.356) 2.971 7.935 ( -2.635 -1.888 1.591) 3.611 7.973 ( -0.690 2.113 0.361) 2.251 8.127 ( 0.238 -0.329 -0.328) 0.522 8.281 ( 1.339 3.443 -0.072) 3.695 8.426 ( -1.268 -1.283 2.392) 2.996 8.482 ( 1.480 1.628 -2.689) 3.474 8.536 ( -0.080 -0.617 2.625) 2.697 8.690 ( -0.205 -11.228 0.415) 11.238 8.758 ( -0.925 -7.241 0.522) 7.318 8.779 ( 1.935 -2.134 -0.291) 2.895 8.867 ( 1.281 -3.413 -0.347) 3.662 8.961 ( -2.101 -3.339 -1.112) 4.099 9.066 ( 2.360 -9.324 0.189) 9.620 9.173 ( -1.636 -5.250 -0.120) 5.501 9.279 ( -2.079 -4.732 -1.219) 5.310 9.319 ( -6.353 -4.602 2.276) 8.168 9.426 ( 1.662 -3.738 -0.610) 4.136 9.520 ( 0.642 -7.410 0.247) 7.442 9.542 ( 3.429 -4.320 -0.867) 5.584 9.824 ( 0.515 0.650 -0.505) 0.971 9.845 ( 0.060 -0.740 0.427) 0.857 9.913 ( -0.682 0.883 -0.231) 1.140 9.991 ( 1.516 -2.037 0.421) 2.574 10.909 ( 1.125 4.005 1.091) 4.301 10.973 ( -1.415 1.972 -1.432) 2.818 10.994 ( -0.847 -0.857 -0.020) 1.205 11.056 ( 0.909 -2.230 0.647) 2.493 11.104 ( -0.570 1.571 -0.257) 1.691 11.176 ( -1.359 -1.764 -0.311) 2.249 11.250 ( 0.587 -0.957 0.883) 1.428 11.268 ( 1.772 -1.271 -1.201) 2.489 11.852 ( 0.409 12.251 3.472) 12.740 11.950 ( 0.217 11.122 -0.859) 11.157 12.052 ( 4.450 10.985 -3.051) 12.238 12.177 ( 1.737 0.183 1.044) 2.035 12.306 ( 1.464 -0.506 -0.698) 1.699 12.359 ( -1.089 -2.479 0.142) 2.712 12.549 ( -2.034 3.092 0.516) 3.737 12.630 ( -5.499 -0.835 -0.010) 5.562 14.438 ( 0.313 4.682 0.742) 4.751 14.481 ( -0.268 2.976 -1.319) 3.266 14.508 ( -0.534 4.395 1.020) 4.543 14.612 ( -0.129 -0.328 -0.595) 0.692 14.708 ( -0.097 1.281 0.033) 1.285 14.730 ( 1.111 -0.259 -0.182) 1.156 14.788 ( 0.307 3.755 0.841) 3.861 14.919 ( -0.794 -1.630 -0.604) 1.911 15.316 ( 0.013 4.392 1.307) 4.583 15.351 ( -3.616 3.281 -1.806) 5.206 15.362 ( -0.767 3.479 0.809) 3.653 15.455 ( -1.888 -0.581 -0.021) 1.975 15.662 ( 2.086 2.893 -0.046) 3.567 15.730 ( 1.137 0.643 -0.812) 1.538 15.806 ( 2.460 4.740 0.020) 5.341 15.874 ( 3.040 -0.535 0.519) 3.130 16.781 ( 5.638 13.355 2.452) 14.702 16.838 ( -3.867 8.249 -5.576) 10.681 17.097 ( 3.539 1.926 5.473) 6.796 17.312 ( -5.060 -7.867 -2.731) 9.744 17.480 ( 1.250 -2.264 2.469) 3.575 17.577 ( 2.489 -5.367 2.520) 6.431 17.684 ( -4.741 5.754 -1.194) 7.551 17.867 ( -6.585 -3.283 -4.053) 8.401 18.236 ( -0.405 4.279 0.282) 4.307 18.306 ( -0.866 3.450 0.316) 3.571 18.356 ( 0.897 -0.143 -0.266) 0.947 18.358 ( 1.441 -0.346 -0.049) 1.483 18.559 ( -0.206 -0.676 0.438) 0.831 18.607 ( -0.233 -2.148 0.488) 2.215 18.643 ( 0.522 -3.035 -0.075) 3.080 18.650 ( -0.207 -3.183 -0.843) 3.300 21.726 ( 1.311 1.039 0.944) 1.920 21.746 ( 0.929 0.049 0.279) 0.971 21.783 ( -0.942 2.060 -0.411) 2.302 21.861 ( 0.438 -1.962 -0.322) 2.036 22.252 ( -2.224 0.300 -0.904) 2.419 22.282 ( -3.316 -1.077 0.462) 3.517 22.357 ( -2.140 1.123 1.462) 2.825 22.410 ( 2.242 -1.092 -1.350) 2.836 22.436 ( 0.125 -0.807 -0.353) 0.890 22.513 ( 1.599 -4.027 0.345) 4.347 22.928 ( -0.433 -0.852 0.259) 0.990 22.964 ( -1.355 -2.486 0.465) 2.869 22.994 ( 2.573 -0.377 -0.630) 2.675 23.040 ( 1.358 -2.429 -0.283) 2.797 23.161 ( 0.660 -1.809 -0.001) 1.926 23.181 ( 0.632 -2.969 0.319) 3.052 ======================= Grid point 22 (15/66) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.425 16.211 0.314) 16.220 1.862 ( -0.782 13.956 -0.046) 13.978 2.163 ( 7.183 18.699 3.620) 20.356 2.204 ( 2.158 14.577 0.839) 14.760 2.279 ( -1.245 10.546 1.639) 10.745 2.352 ( 1.345 7.721 -4.189) 8.887 2.405 ( -7.018 5.087 -2.778) 9.102 2.491 ( -5.442 2.892 2.606) 6.691 2.621 ( 0.213 -0.734 -0.854) 1.146 2.667 ( 0.132 1.748 0.600) 1.852 2.716 ( 1.589 8.146 -1.231) 8.390 2.746 ( -0.067 3.056 1.466) 3.390 2.834 ( 0.310 -5.145 -1.544) 5.380 2.866 ( -2.041 -8.187 2.105) 8.696 2.938 ( -0.613 -2.923 -2.857) 4.133 3.047 ( 2.753 0.183 -1.302) 3.051 3.103 ( 1.739 -1.576 1.064) 2.576 3.107 ( 0.247 -8.096 -0.565) 8.119 3.160 ( -3.224 -1.546 0.740) 3.651 3.325 ( -0.573 -4.823 -0.178) 4.860 3.416 ( -0.688 1.174 -0.638) 1.503 3.497 ( -0.621 0.887 -1.033) 1.496 3.537 ( 1.727 -4.244 -0.902) 4.670 3.655 ( 1.308 -9.062 1.226) 9.237 3.768 ( -0.898 2.626 1.035) 2.962 3.792 ( -1.019 0.702 1.144) 1.685 3.989 ( 2.944 0.719 1.441) 3.356 4.041 ( 3.567 4.431 -0.514) 5.712 4.161 ( 1.289 -3.719 -1.073) 4.080 4.206 ( -6.915 1.163 1.281) 7.128 4.358 ( 1.988 -0.144 -4.144) 4.598 4.456 ( -3.948 -6.666 6.473) 10.095 4.523 ( -1.146 -11.019 -0.781) 11.106 4.577 ( 0.697 -7.589 -3.296) 8.303 4.707 ( 2.510 -3.407 0.743) 4.297 4.776 ( -5.153 -8.073 0.686) 9.602 4.818 ( -1.517 1.787 -0.851) 2.494 4.941 ( -1.419 -1.035 3.411) 3.836 4.981 ( -0.324 -1.930 -0.762) 2.101 5.036 ( 1.254 -1.493 -0.317) 1.975 5.107 ( -0.960 4.328 0.001) 4.433 5.183 ( -0.154 5.065 -0.514) 5.093 5.299 ( -0.038 9.255 -2.798) 9.669 5.309 ( 3.476 7.124 -1.145) 8.009 5.373 ( 0.650 6.751 0.385) 6.793 5.467 ( -1.535 3.995 0.375) 4.296 5.541 ( 4.089 7.651 -1.953) 8.892 5.577 ( 0.557 9.625 0.713) 9.667 5.630 ( 1.601 6.930 0.649) 7.142 5.724 ( 3.794 1.684 0.302) 4.162 5.742 ( 8.001 0.568 -0.776) 8.058 5.808 ( 0.969 -3.329 4.053) 5.333 5.905 ( -2.009 -5.060 2.491) 5.987 5.976 ( 0.028 -2.187 -1.317) 2.554 5.988 ( -4.190 1.123 -0.755) 4.403 6.101 ( -3.838 -1.176 0.269) 4.024 6.167 ( -4.080 7.880 0.818) 8.912 6.255 ( 2.630 -5.223 -1.017) 5.936 6.345 ( -3.492 0.570 -2.173) 4.153 6.396 ( 2.318 8.824 -3.059) 9.623 6.425 ( 4.739 5.818 0.971) 7.566 6.513 ( -1.118 -7.134 -2.272) 7.570 6.563 ( -4.873 2.072 2.063) 5.683 6.625 ( -1.076 -0.655 0.166) 1.270 6.655 ( -4.355 -3.903 -1.177) 5.965 6.777 ( 3.418 -0.961 2.440) 4.309 6.799 ( 0.866 -1.372 0.074) 1.624 6.909 ( -0.626 4.708 0.445) 4.770 6.990 ( -1.195 -1.410 -0.117) 1.852 7.050 ( -0.227 -0.110 -0.451) 0.516 7.112 ( 1.164 -0.427 2.971) 3.219 7.223 ( 1.801 -3.882 3.303) 5.406 7.269 ( -0.495 -4.192 -1.676) 4.541 7.333 ( 0.012 -0.657 -1.643) 1.769 7.424 ( 4.731 0.474 0.332) 4.767 7.451 ( 1.036 -4.528 0.547) 4.677 7.499 ( -1.025 -3.390 -3.096) 4.704 7.555 ( -2.796 -5.394 0.095) 6.076 7.693 ( 2.923 0.338 0.201) 2.949 7.743 ( 0.390 -2.269 -1.152) 2.574 7.836 ( -0.148 2.616 -0.447) 2.658 7.879 ( -3.141 -0.034 0.511) 3.183 7.966 ( -0.242 0.439 0.505) 0.712 8.116 ( -0.777 -2.538 -0.300) 2.671 8.308 ( 0.951 4.885 0.168) 4.979 8.405 ( -0.985 2.112 0.842) 2.478 8.509 ( 1.106 3.424 -0.441) 3.626 8.540 ( -0.138 -3.186 0.931) 3.322 8.703 ( 0.922 -12.009 -0.289) 12.048 8.741 ( -0.660 -5.839 0.779) 5.928 8.822 ( 1.906 -0.811 -0.520) 2.135 8.866 ( -0.626 -3.743 -0.407) 3.816 8.934 ( -0.650 -0.366 0.248) 0.787 9.099 ( 0.942 -11.208 -0.050) 11.248 9.145 ( -0.251 -7.420 -1.406) 7.556 9.211 ( -4.015 -9.195 1.799) 10.194 9.272 ( -0.071 -2.078 -0.332) 2.106 9.430 ( -0.463 -8.221 -0.207) 8.237 9.541 ( 0.978 -2.689 0.452) 2.896 9.580 ( 0.968 -5.260 -0.657) 5.389 9.829 ( 0.166 0.842 -0.194) 0.880 9.851 ( 0.300 -0.579 0.090) 0.659 9.901 ( -0.371 1.979 -0.040) 2.014 10.017 ( 0.811 -2.670 0.193) 2.797 10.939 ( 0.962 3.179 1.345) 3.583 10.948 ( -0.101 2.814 -0.628) 2.885 10.973 ( -1.203 0.481 -0.684) 1.465 11.071 ( 0.426 -2.714 0.306) 2.764 11.095 ( -0.142 1.345 -0.279) 1.381 11.145 ( -1.205 -0.685 -0.254) 1.409 11.264 ( 0.416 -0.882 0.242) 1.005 11.296 ( 1.099 -2.019 -0.438) 2.340 11.857 ( -0.845 12.801 2.574) 13.084 11.964 ( 1.079 11.230 -1.583) 11.392 12.125 ( 3.222 4.331 -1.362) 5.567 12.231 ( 2.906 0.576 0.333) 2.982 12.331 ( 0.772 1.158 -0.277) 1.419 12.349 ( 0.967 -0.153 0.334) 1.035 12.478 ( -6.198 3.331 0.327) 7.044 12.535 ( -2.249 0.676 0.020) 2.349 14.446 ( 0.108 4.870 0.462) 4.893 14.477 ( 0.411 3.189 -0.771) 3.306 14.499 ( -0.735 4.306 0.616) 4.411 14.605 ( -0.185 -0.797 -0.389) 0.906 14.702 ( -0.289 2.422 -0.225) 2.450 14.753 ( 0.873 -1.395 0.323) 1.677 14.800 ( 0.367 3.472 0.282) 3.503 14.903 ( -0.514 -0.828 -0.249) 1.006 15.272 ( -1.749 3.988 -0.716) 4.413 15.321 ( -0.921 0.459 -0.190) 1.046 15.384 ( 1.544 4.560 2.080) 5.245 15.427 ( -1.183 1.445 -0.268) 1.886 15.669 ( -0.725 4.738 -1.143) 4.928 15.698 ( -0.640 2.587 -1.581) 3.099 15.911 ( 4.484 0.957 0.327) 4.597 15.932 ( 1.626 -0.499 2.111) 2.711 16.677 ( -4.103 13.284 -4.175) 14.517 17.020 ( 10.292 6.212 5.409) 13.182 17.159 ( 0.953 0.862 1.521) 1.991 17.234 ( -2.015 -1.548 -0.333) 2.563 17.438 ( -8.053 1.073 -2.471) 8.491 17.546 ( -0.472 -1.580 0.209) 1.662 17.677 ( 2.854 -2.505 -0.524) 3.833 17.745 ( -4.676 -3.659 -0.486) 5.957 18.226 ( -0.381 4.343 -0.205) 4.365 18.299 ( -0.221 3.556 0.343) 3.580 18.364 ( 0.185 -1.336 -0.277) 1.377 18.381 ( 0.740 0.439 0.012) 0.860 18.558 ( -0.193 0.564 0.265) 0.652 18.609 ( 0.513 -1.311 0.908) 1.675 18.634 ( -0.829 -2.519 -1.174) 2.900 18.656 ( 0.510 -3.350 0.060) 3.389 21.751 ( 0.638 0.570 0.841) 1.200 21.763 ( 0.202 0.568 -1.251) 1.389 21.769 ( 0.032 1.742 0.610) 1.846 21.866 ( 0.106 -2.563 0.194) 2.573 22.214 ( -0.825 -0.563 -0.631) 1.181 22.232 ( -1.899 -1.158 0.238) 2.237 22.333 ( -0.690 1.955 0.444) 2.120 22.433 ( 0.335 -1.232 -0.973) 1.605 22.445 ( 0.834 0.094 0.432) 0.944 22.528 ( 0.125 -4.991 0.193) 4.997 22.923 ( -0.157 -1.794 0.050) 1.801 22.947 ( -0.547 -2.702 0.216) 2.766 23.034 ( 1.375 -0.552 -0.426) 1.542 23.059 ( 0.549 -1.988 -0.035) 2.062 23.170 ( 0.259 -1.629 0.114) 1.653 23.195 ( 0.521 -2.932 0.135) 2.981 ======================= Grid point 25 (16/66) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 -6.966 0.000) 6.966 2.078 ( 0.000 6.966 0.000) 6.966 2.166 ( 0.000 -5.615 0.000) 5.615 2.166 ( 0.000 5.615 0.000) 5.615 2.356 ( 0.000 -7.214 0.000) 7.214 2.356 ( 0.000 7.214 0.000) 7.214 2.607 ( 0.000 -5.736 0.000) 5.736 2.607 ( 0.000 5.736 0.000) 5.736 2.641 ( 0.000 -0.060 0.000) 0.060 2.641 ( 0.000 0.060 0.000) 0.060 2.800 ( 0.000 -0.183 0.000) 0.183 2.800 ( 0.000 0.183 0.000) 0.183 2.860 ( 0.000 -1.678 0.000) 1.678 2.860 ( 0.000 1.678 0.000) 1.678 2.886 ( 0.000 -0.668 0.000) 0.668 2.886 ( 0.000 0.668 0.000) 0.668 3.124 ( 0.000 -3.856 0.000) 3.856 3.124 ( 0.000 3.856 0.000) 3.856 3.223 ( 0.000 -8.840 0.000) 8.840 3.223 ( 0.000 8.840 0.000) 8.840 3.502 ( 0.000 -0.791 0.000) 0.791 3.502 ( 0.000 0.791 0.000) 0.791 3.542 ( 0.000 -4.945 0.000) 4.945 3.542 ( 0.000 4.945 0.000) 4.945 3.764 ( 0.000 -2.715 0.000) 2.715 3.764 ( 0.000 2.715 0.000) 2.715 3.967 ( 0.000 -3.799 0.000) 3.799 3.967 ( 0.000 3.799 0.000) 3.799 4.040 ( 0.000 -7.943 0.000) 7.943 4.040 ( 0.000 7.943 0.000) 7.943 4.407 ( 0.000 -9.775 0.000) 9.775 4.407 ( 0.000 9.775 0.000) 9.775 4.589 ( 0.000 -1.013 0.000) 1.013 4.589 ( 0.000 1.013 0.000) 1.013 4.851 ( 0.000 -3.204 0.000) 3.204 4.851 ( 0.000 3.204 0.000) 3.204 4.908 ( 0.000 -3.012 0.000) 3.012 4.908 ( 0.000 3.012 0.000) 3.012 5.071 ( 0.000 -3.627 0.000) 3.627 5.071 ( 0.000 3.627 0.000) 3.627 5.099 ( 0.000 -7.072 0.000) 7.072 5.099 ( 0.000 7.072 0.000) 7.072 5.255 ( 0.000 -1.169 0.000) 1.169 5.255 ( 0.000 1.169 0.000) 1.169 5.379 ( 0.000 -3.337 0.000) 3.337 5.379 ( 0.000 3.337 0.000) 3.337 5.588 ( 0.000 -2.113 0.000) 2.113 5.588 ( 0.000 2.113 0.000) 2.113 5.696 ( 0.000 -6.427 0.000) 6.427 5.696 ( 0.000 6.427 0.000) 6.427 5.833 ( 0.000 -5.286 0.000) 5.286 5.833 ( 0.000 5.286 0.000) 5.286 5.951 ( 0.000 -2.377 0.000) 2.377 5.951 ( 0.000 2.377 0.000) 2.377 5.985 ( 0.000 -4.711 0.000) 4.711 5.985 ( 0.000 4.711 0.000) 4.711 6.232 ( 0.000 -0.234 0.000) 0.234 6.232 ( 0.000 0.234 0.000) 0.234 6.364 ( 0.000 -1.800 0.000) 1.800 6.364 ( 0.000 1.800 0.000) 1.800 6.597 ( 0.000 -6.741 0.000) 6.741 6.597 ( 0.000 6.741 0.000) 6.741 6.664 ( 0.000 -8.231 0.000) 8.231 6.664 ( 0.000 8.231 0.000) 8.231 6.721 ( 0.000 -1.955 0.000) 1.955 6.721 ( 0.000 1.955 0.000) 1.955 6.865 ( 0.000 -0.059 0.000) 0.059 6.865 ( 0.000 0.059 0.000) 0.059 6.964 ( 0.000 -8.143 0.000) 8.143 6.964 ( 0.000 8.143 0.000) 8.143 7.123 ( 0.000 -1.934 0.000) 1.934 7.123 ( 0.000 1.934 0.000) 1.934 7.204 ( 0.000 -0.004 0.000) 0.004 7.204 ( 0.000 0.004 0.000) 0.004 7.385 ( 0.000 -4.645 0.000) 4.645 7.385 ( 0.000 4.645 0.000) 4.645 7.584 ( 0.000 -0.738 0.000) 0.738 7.584 ( 0.000 0.738 0.000) 0.738 7.627 ( 0.000 -5.256 0.000) 5.256 7.627 ( 0.000 5.256 0.000) 5.256 7.919 ( 0.000 -1.274 0.000) 1.274 7.919 ( 0.000 1.274 0.000) 1.274 8.076 ( 0.000 -5.662 0.000) 5.662 8.076 ( 0.000 5.662 0.000) 5.662 8.344 ( 0.000 -4.447 0.000) 4.447 8.344 ( 0.000 4.447 0.000) 4.447 8.503 ( 0.000 -4.504 0.000) 4.504 8.503 ( 0.000 4.504 0.000) 4.504 8.649 ( 0.000 -4.092 0.000) 4.092 8.649 ( 0.000 4.092 0.000) 4.092 8.738 ( 0.000 -2.353 0.000) 2.353 8.738 ( 0.000 2.353 0.000) 2.353 8.962 ( 0.000 -0.349 0.000) 0.349 8.962 ( 0.000 0.349 0.000) 0.349 9.217 ( 0.000 -5.751 0.000) 5.751 9.217 ( 0.000 5.751 0.000) 5.751 9.381 ( 0.000 -0.911 0.000) 0.911 9.381 ( 0.000 0.911 0.000) 0.911 9.432 ( 0.000 -1.591 0.000) 1.591 9.432 ( 0.000 1.591 0.000) 1.591 9.831 ( 0.000 -0.572 0.000) 0.572 9.831 ( 0.000 0.572 0.000) 0.572 9.943 ( 0.000 -1.532 0.000) 1.532 9.943 ( 0.000 1.532 0.000) 1.532 10.967 ( 0.000 -2.866 0.000) 2.866 10.967 ( 0.000 2.866 0.000) 2.866 11.010 ( 0.000 -1.092 0.000) 1.092 11.010 ( 0.000 1.092 0.000) 1.092 11.149 ( 0.000 -2.074 0.000) 2.074 11.149 ( 0.000 2.074 0.000) 2.074 11.232 ( 0.000 -0.322 0.000) 0.322 11.232 ( 0.000 0.322 0.000) 0.322 12.007 ( 0.000 -4.902 0.000) 4.902 12.007 ( 0.000 4.902 0.000) 4.902 12.167 ( 0.000 -3.701 0.000) 3.701 12.167 ( 0.000 3.701 0.000) 3.701 12.292 ( 0.000 -3.778 0.000) 3.778 12.292 ( 0.000 3.778 0.000) 3.778 12.634 ( 0.000 -3.086 0.000) 3.086 12.634 ( 0.000 3.086 0.000) 3.086 14.493 ( 0.000 -1.438 0.000) 1.438 14.493 ( 0.000 1.438 0.000) 1.438 14.591 ( 0.000 -2.421 0.000) 2.421 14.591 ( 0.000 2.421 0.000) 2.421 14.709 ( 0.000 -0.026 0.000) 0.026 14.709 ( 0.000 0.026 0.000) 0.026 14.873 ( 0.000 -3.961 0.000) 3.961 14.873 ( 0.000 3.961 0.000) 3.961 15.370 ( 0.000 -1.728 0.000) 1.728 15.370 ( 0.000 1.728 0.000) 1.728 15.468 ( 0.000 -1.039 0.000) 1.039 15.468 ( 0.000 1.039 0.000) 1.039 15.656 ( 0.000 -2.175 0.000) 2.175 15.656 ( 0.000 2.175 0.000) 2.175 15.852 ( 0.000 -0.060 0.000) 0.060 15.852 ( 0.000 0.060 0.000) 0.060 16.927 ( 0.000 -8.803 0.000) 8.803 16.927 ( 0.000 8.803 0.000) 8.803 17.181 ( 0.000 -11.591 0.000) 11.591 17.181 ( 0.000 11.591 0.000) 11.591 17.450 ( 0.000 -1.939 0.000) 1.939 17.450 ( 0.000 1.939 0.000) 1.939 17.857 ( 0.000 -5.923 0.000) 5.923 17.857 ( 0.000 5.923 0.000) 5.923 18.303 ( 0.000 -2.294 0.000) 2.294 18.303 ( 0.000 2.294 0.000) 2.294 18.360 ( 0.000 -0.288 0.000) 0.288 18.360 ( 0.000 0.288 0.000) 0.288 18.561 ( 0.000 -1.184 0.000) 1.184 18.561 ( 0.000 1.184 0.000) 1.184 18.610 ( 0.000 -0.301 0.000) 0.301 18.610 ( 0.000 0.301 0.000) 0.301 21.730 ( 0.000 -0.686 0.000) 0.686 21.730 ( 0.000 0.686 0.000) 0.686 21.828 ( 0.000 -1.625 0.000) 1.625 21.828 ( 0.000 1.625 0.000) 1.625 22.297 ( 0.000 -1.695 0.000) 1.695 22.297 ( 0.000 1.695 0.000) 1.695 22.377 ( 0.000 -1.828 0.000) 1.828 22.377 ( 0.000 1.828 0.000) 1.828 22.445 ( 0.000 -1.312 0.000) 1.312 22.445 ( 0.000 1.312 0.000) 1.312 22.956 ( 0.000 -0.216 0.000) 0.216 22.956 ( 0.000 0.216 0.000) 0.216 22.967 ( 0.000 -1.991 0.000) 1.991 22.967 ( 0.000 1.991 0.000) 1.991 23.140 ( 0.000 -0.564 0.000) 0.564 23.140 ( 0.000 0.564 0.000) 0.564 ======================= Grid point 27 (17/66) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -0.409 -6.604 -0.674) 6.651 2.070 ( -0.409 6.604 -0.674) 6.651 2.182 ( 1.095 -3.775 0.863) 4.024 2.182 ( 1.095 3.775 0.863) 4.024 2.391 ( 3.077 -7.820 1.872) 8.610 2.391 ( 3.077 7.820 1.872) 8.610 2.521 ( -5.009 -9.514 0.416) 10.760 2.521 ( -5.009 9.514 0.416) 10.760 2.697 ( 3.393 -4.798 -1.272) 6.013 2.697 ( 3.393 4.798 -1.272) 6.013 2.787 ( -3.278 -5.927 3.705) 7.720 2.787 ( -3.278 5.927 3.705) 7.720 2.839 ( 0.992 -3.750 -2.524) 4.628 2.839 ( 0.992 3.750 -2.524) 4.628 2.947 ( 1.490 -4.761 -1.177) 5.125 2.947 ( 1.490 4.761 -1.177) 5.125 3.069 ( -1.782 -4.309 -3.112) 5.606 3.069 ( -1.782 4.309 -3.112) 5.606 3.201 ( -2.223 -7.838 0.265) 8.152 3.201 ( -2.223 7.838 0.265) 8.152 3.485 ( -1.493 -0.442 0.377) 1.603 3.485 ( -1.493 0.442 0.377) 1.603 3.525 ( -0.575 -3.580 -1.893) 4.091 3.525 ( -0.575 3.580 -1.893) 4.091 3.806 ( 1.258 -2.223 5.039) 5.649 3.806 ( 1.258 2.223 5.039) 5.649 4.004 ( 4.737 -6.368 -1.845) 8.149 4.004 ( 4.737 6.368 -1.845) 8.149 4.065 ( 2.147 -9.270 -0.064) 9.516 4.065 ( 2.147 9.270 -0.064) 9.516 4.399 ( -2.343 -8.184 2.717) 8.936 4.399 ( -2.343 8.184 2.717) 8.936 4.536 ( -2.822 -4.447 -2.790) 5.961 4.536 ( -2.822 4.447 -2.790) 5.961 4.769 ( -9.138 -4.232 1.153) 10.137 4.769 ( -9.138 4.232 1.153) 10.137 4.893 ( 0.362 -0.996 3.148) 3.322 4.893 ( 0.362 0.996 3.148) 3.322 5.022 ( -2.699 -4.917 -3.191) 6.453 5.022 ( -2.699 4.917 -3.191) 6.453 5.129 ( 2.052 -3.800 -2.656) 5.070 5.129 ( 2.052 3.800 -2.656) 5.070 5.349 ( 6.099 -4.610 2.375) 8.005 5.349 ( 6.099 4.610 2.375) 8.005 5.432 ( 5.080 -3.748 -2.546) 6.807 5.432 ( 5.080 3.748 -2.546) 6.807 5.599 ( 2.455 -2.998 0.434) 3.899 5.599 ( 2.455 2.998 0.434) 3.899 5.721 ( 1.811 -6.504 2.248) 7.116 5.721 ( 1.811 6.504 2.248) 7.116 5.814 ( -1.388 -2.039 -2.097) 3.238 5.814 ( -1.388 2.039 -2.097) 3.238 5.881 ( -2.975 -1.702 2.351) 4.156 5.881 ( -2.975 1.702 2.351) 4.156 6.078 ( 3.129 -6.909 2.844) 8.100 6.078 ( 3.129 6.909 2.844) 8.100 6.213 ( -1.296 -4.962 -2.800) 5.843 6.213 ( -1.296 4.962 -2.800) 5.843 6.353 ( -1.367 -0.958 0.451) 1.730 6.353 ( -1.367 0.958 0.451) 1.730 6.553 ( -4.690 -5.302 -3.353) 7.833 6.553 ( -4.690 5.302 -3.353) 7.833 6.640 ( 1.468 -6.041 -0.127) 6.218 6.640 ( 1.468 6.041 -0.127) 6.218 6.704 ( -1.984 -1.599 -2.496) 3.567 6.704 ( -1.984 1.599 -2.496) 3.567 6.897 ( -0.193 -6.450 0.349) 6.462 6.897 ( -0.193 6.450 0.349) 6.462 6.958 ( 3.084 -2.672 2.977) 5.051 6.958 ( 3.084 2.672 2.977) 5.051 7.129 ( -2.013 -4.163 3.024) 5.525 7.129 ( -2.013 4.163 3.024) 5.525 7.235 ( 2.440 -1.756 1.635) 3.421 7.235 ( 2.440 1.756 1.635) 3.421 7.393 ( 1.255 -3.679 -0.765) 3.962 7.393 ( 1.255 3.679 -0.765) 3.962 7.535 ( -2.602 -2.301 -3.749) 5.111 7.535 ( -2.602 2.301 -3.749) 5.111 7.667 ( 2.605 -2.710 0.147) 3.762 7.667 ( 2.605 2.710 0.147) 3.762 7.907 ( -1.434 -1.695 1.084) 2.471 7.907 ( -1.434 1.695 1.084) 2.471 8.057 ( -1.612 -5.829 -0.677) 6.085 8.057 ( -1.612 5.829 -0.677) 6.085 8.382 ( 3.702 -6.048 -1.017) 7.164 8.382 ( 3.702 6.048 -1.017) 7.164 8.493 ( -1.000 -5.952 0.594) 6.065 8.493 ( -1.000 5.952 0.594) 6.065 8.627 ( -1.824 -5.971 2.702) 6.803 8.627 ( -1.824 5.971 2.702) 6.803 8.780 ( 3.288 -2.928 -1.051) 4.526 8.780 ( 3.288 2.928 -1.051) 4.526 8.964 ( 0.473 -2.081 -1.182) 2.440 8.964 ( 0.473 2.081 -1.182) 2.440 9.169 ( -4.709 -4.208 0.760) 6.360 9.169 ( -4.709 4.208 0.760) 6.360 9.331 ( -2.565 -3.933 0.230) 4.701 9.331 ( -2.565 3.933 0.230) 4.701 9.488 ( 3.297 -1.566 -0.643) 3.706 9.488 ( 3.297 1.566 -0.643) 3.706 9.836 ( 0.442 -0.517 -0.110) 0.689 9.836 ( 0.442 0.517 -0.110) 0.689 9.948 ( 0.489 -2.323 0.218) 2.384 9.948 ( 0.489 2.323 0.218) 2.384 10.969 ( -0.001 -2.058 0.587) 2.140 10.969 ( -0.001 2.058 0.587) 2.140 11.010 ( 0.190 -2.182 -0.600) 2.271 11.010 ( 0.190 2.182 -0.600) 2.271 11.138 ( -0.848 -1.982 -0.283) 2.174 11.138 ( -0.848 1.982 -0.283) 2.174 11.245 ( 1.082 -0.626 0.139) 1.257 11.245 ( 1.082 0.626 0.139) 1.257 12.014 ( 0.435 -4.062 1.296) 4.286 12.014 ( 0.435 4.062 1.296) 4.286 12.184 ( 1.736 -1.792 -1.816) 3.086 12.184 ( 1.736 1.792 -1.816) 3.086 12.300 ( 1.080 -1.886 0.426) 2.215 12.300 ( 1.080 1.886 0.426) 2.215 12.600 ( -3.462 -2.177 0.233) 4.096 12.600 ( -3.462 2.177 0.233) 4.096 14.496 ( 0.292 -1.234 0.270) 1.296 14.496 ( 0.292 1.234 0.270) 1.296 14.581 ( -0.777 -2.725 -0.346) 2.855 14.581 ( -0.777 2.725 -0.346) 2.855 14.720 ( 0.769 -0.599 0.134) 0.984 14.720 ( 0.769 0.599 0.134) 0.984 14.868 ( -0.251 -3.642 -0.062) 3.651 14.868 ( -0.251 3.642 -0.062) 3.651 15.362 ( -1.904 -0.856 -0.116) 2.091 15.362 ( -1.904 0.856 -0.116) 2.091 15.427 ( -1.336 -2.308 0.229) 2.676 15.427 ( -1.336 2.308 0.229) 2.676 15.713 ( 2.704 -2.088 0.292) 3.429 15.713 ( 2.704 2.088 0.292) 3.429 15.858 ( 1.925 -1.338 -0.530) 2.404 15.858 ( 1.925 1.338 -0.530) 2.404 16.960 ( 1.723 -1.382 -0.127) 2.213 16.960 ( 1.723 1.382 -0.127) 2.213 17.142 ( -0.933 -6.916 -0.626) 7.006 17.142 ( -0.933 6.916 -0.626) 7.006 17.487 ( 1.577 -3.274 3.154) 4.812 17.487 ( 1.577 3.274 3.154) 4.812 17.787 ( -5.798 -4.871 -2.476) 7.967 17.787 ( -5.798 4.871 -2.476) 7.967 18.307 ( 0.064 -3.001 -0.068) 3.003 18.307 ( 0.064 3.001 -0.068) 3.003 18.361 ( 0.176 -1.555 0.246) 1.584 18.361 ( 0.176 1.555 0.246) 1.584 18.570 ( 0.780 -1.635 0.223) 1.825 18.570 ( 0.780 1.635 0.223) 1.825 18.610 ( 0.031 -0.325 -0.285) 0.433 18.610 ( 0.031 0.325 -0.285) 0.433 21.742 ( 0.945 -0.537 0.411) 1.162 21.742 ( 0.945 0.537 0.411) 1.162 21.823 ( -0.367 -2.004 -0.266) 2.055 21.823 ( -0.367 2.004 -0.266) 2.055 22.260 ( -2.821 -0.942 -0.424) 3.004 22.260 ( -2.821 0.942 -0.424) 3.004 22.386 ( 0.160 -1.577 0.776) 1.765 22.386 ( 0.160 1.577 0.776) 1.765 22.452 ( 0.780 -2.150 -0.444) 2.330 22.452 ( 0.780 2.150 -0.444) 2.330 22.928 ( -1.312 -1.010 0.094) 1.658 22.928 ( -1.312 1.010 0.094) 1.658 23.004 ( 2.199 -1.276 -0.267) 2.556 23.004 ( 2.199 1.276 -0.267) 2.556 23.147 ( 0.667 -0.504 0.179) 0.854 23.147 ( 0.667 0.504 0.179) 0.854 ======================= Grid point 29 (18/66) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -0.250 -6.288 -0.208) 6.296 2.062 ( -0.250 6.288 -0.208) 6.296 2.204 ( 0.671 -0.905 0.330) 1.174 2.204 ( 0.671 0.905 0.330) 1.174 2.422 ( -1.145 -3.286 1.105) 3.651 2.422 ( -1.145 3.286 1.105) 3.651 2.525 ( 4.905 -7.926 1.305) 9.412 2.525 ( 4.905 7.926 1.305) 9.412 2.686 ( -2.707 -4.492 0.915) 5.324 2.686 ( -2.707 4.492 0.915) 5.324 2.757 ( -4.142 -4.872 -3.534) 7.306 2.757 ( -4.142 4.872 -3.534) 7.306 2.832 ( 2.431 -3.265 -0.604) 4.115 2.832 ( 2.431 3.265 -0.604) 4.115 2.922 ( -1.070 -8.324 0.099) 8.394 2.922 ( -1.070 8.324 0.099) 8.394 3.071 ( -0.507 -1.930 0.152) 2.001 3.071 ( -0.507 1.930 0.152) 2.001 3.179 ( 0.534 -5.283 0.333) 5.320 3.179 ( 0.534 5.283 0.333) 5.320 3.448 ( -1.364 -2.792 -1.733) 3.558 3.448 ( -1.364 2.792 -1.733) 3.558 3.538 ( 1.409 -2.718 0.906) 3.192 3.538 ( 1.409 2.718 0.906) 3.192 3.810 ( -1.425 -1.169 0.960) 2.079 3.810 ( -1.425 1.169 0.960) 2.079 4.090 ( 1.796 -5.107 -0.857) 5.481 4.090 ( 1.796 5.107 -0.857) 5.481 4.127 ( 5.350 -6.868 0.511) 8.721 4.127 ( 5.350 6.868 0.511) 8.721 4.341 ( -3.694 -9.704 1.550) 10.498 4.341 ( -3.694 9.704 1.550) 10.498 4.492 ( -1.575 -6.619 -0.806) 6.851 4.492 ( -1.575 6.619 -0.806) 6.851 4.626 ( -4.484 -4.066 -0.391) 6.066 4.626 ( -4.484 4.066 -0.391) 6.066 4.925 ( 1.271 -2.081 4.553) 5.165 4.925 ( 1.271 2.081 4.553) 5.165 4.976 ( -1.231 -3.237 -2.233) 4.120 4.976 ( -1.231 3.237 -2.233) 4.120 5.120 ( -0.934 -2.916 -2.880) 4.203 5.120 ( -0.934 2.916 -2.880) 4.203 5.428 ( 1.525 -4.278 1.062) 4.664 5.428 ( 1.525 4.278 1.062) 4.664 5.504 ( 2.926 -2.699 -2.811) 4.874 5.504 ( 2.926 2.699 -2.811) 4.874 5.703 ( 3.737 -1.516 3.586) 5.397 5.703 ( 3.737 1.516 3.586) 5.397 5.753 ( 3.138 -4.391 -2.137) 5.804 5.753 ( 3.138 4.391 -2.137) 5.804 5.814 ( 1.896 -0.803 -0.184) 2.067 5.814 ( 1.896 0.803 -0.184) 2.067 5.865 ( 0.372 -2.855 2.360) 3.723 5.865 ( 0.372 2.855 2.360) 3.723 6.024 ( -8.404 -1.692 0.373) 8.581 6.024 ( -8.404 1.692 0.373) 8.581 6.205 ( 0.873 -10.118 -0.357) 10.162 6.205 ( 0.873 10.118 -0.357) 10.162 6.321 ( -1.225 -3.776 -1.357) 4.196 6.321 ( -1.225 3.776 -1.357) 4.196 6.486 ( -1.801 -5.110 1.358) 5.585 6.486 ( -1.801 5.110 1.358) 5.585 6.610 ( -0.503 -3.591 -4.012) 5.408 6.610 ( -0.503 3.591 -4.012) 5.408 6.734 ( 2.124 -3.036 0.434) 3.730 6.734 ( 2.124 3.036 0.434) 3.730 6.878 ( -0.727 -10.276 0.019) 10.301 6.878 ( -0.727 10.276 0.019) 10.301 7.044 ( 2.530 -7.366 3.098) 8.382 7.044 ( 2.530 7.366 3.098) 8.382 7.094 ( -1.823 -3.016 1.071) 3.683 7.094 ( -1.823 3.016 1.071) 3.683 7.269 ( 0.733 -3.011 -0.303) 3.114 7.269 ( 0.733 3.011 -0.303) 3.114 7.418 ( 0.452 -0.618 1.066) 1.313 7.418 ( 0.452 0.618 1.066) 1.313 7.483 ( -0.519 -2.732 -3.422) 4.410 7.483 ( -0.519 2.732 -3.422) 4.410 7.707 ( 1.139 -1.364 0.428) 1.828 7.707 ( 1.139 1.364 0.428) 1.828 7.883 ( -1.147 -1.325 0.514) 1.826 7.883 ( -1.147 1.325 0.514) 1.826 8.024 ( -1.147 -5.740 -0.480) 5.873 8.024 ( -1.147 5.740 -0.480) 5.873 8.439 ( 1.998 -5.678 -1.184) 6.134 8.439 ( 1.998 5.678 -1.184) 6.134 8.484 ( -0.210 -7.782 1.293) 7.891 8.484 ( -0.210 7.782 1.293) 7.891 8.615 ( -0.402 -6.153 0.802) 6.218 8.615 ( -0.402 6.153 0.802) 6.218 8.825 ( 1.435 -0.710 -0.020) 1.601 8.825 ( 1.435 0.710 -0.020) 1.601 8.970 ( 0.566 -3.260 -1.002) 3.457 8.970 ( 0.566 3.260 -1.002) 3.457 9.087 ( -3.169 -2.207 0.462) 3.889 9.087 ( -3.169 2.207 0.462) 3.889 9.300 ( -0.935 -4.592 0.235) 4.692 9.300 ( -0.935 4.592 0.235) 4.692 9.527 ( 1.081 -0.885 -0.303) 1.429 9.527 ( 1.081 0.885 -0.303) 1.429 9.842 ( 0.239 -0.533 -0.107) 0.594 9.842 ( 0.239 0.533 -0.107) 0.594 9.959 ( 0.358 -3.323 0.149) 3.345 9.959 ( 0.358 3.323 0.149) 3.345 10.971 ( -0.027 -0.587 0.301) 0.660 10.971 ( -0.027 0.587 0.301) 0.660 11.012 ( 0.158 -3.303 -0.266) 3.317 11.012 ( 0.158 3.303 -0.266) 3.317 11.124 ( -0.435 -1.471 -0.213) 1.548 11.124 ( -0.435 1.471 -0.213) 1.548 11.263 ( 0.570 -0.997 0.084) 1.151 11.263 ( 0.570 0.997 0.084) 1.151 12.028 ( 0.341 -4.406 0.815) 4.493 12.028 ( 0.341 4.406 0.815) 4.493 12.198 ( 0.439 -3.982 -1.073) 4.147 12.198 ( 0.439 3.982 -1.073) 4.147 12.343 ( 2.695 -0.489 0.095) 2.740 12.343 ( 2.695 0.489 0.095) 2.740 12.525 ( -3.609 -1.585 0.246) 3.950 12.525 ( -3.609 1.585 0.246) 3.950 14.503 ( 0.203 -0.786 0.134) 0.823 14.503 ( 0.203 0.786 0.134) 0.823 14.568 ( -0.377 -2.842 -0.091) 2.868 14.568 ( -0.377 2.842 -0.091) 2.868 14.728 ( 0.135 -1.050 -0.117) 1.065 14.728 ( 0.135 1.050 -0.117) 1.065 14.868 ( 0.104 -2.875 0.116) 2.879 14.868 ( 0.104 2.875 0.116) 2.879 15.316 ( -1.541 -0.987 -0.596) 1.924 15.316 ( -1.541 0.987 -0.596) 1.924 15.433 ( 0.405 -0.885 1.112) 1.478 15.433 ( 0.405 0.885 1.112) 1.478 15.720 ( -0.368 -0.647 -1.231) 1.438 15.720 ( -0.368 0.647 -1.231) 1.438 15.918 ( 2.586 -0.644 0.761) 2.772 15.918 ( 2.586 0.644 0.761) 2.772 16.936 ( -1.770 -11.965 -1.997) 12.258 16.936 ( -1.770 11.965 -1.997) 12.258 17.216 ( 5.374 -2.955 3.849) 7.241 17.216 ( 5.374 2.955 3.849) 7.241 17.479 ( -3.112 -3.734 -1.565) 5.107 17.479 ( -3.112 3.734 -1.565) 5.107 17.684 ( -2.721 -2.422 -0.407) 3.665 17.684 ( -2.721 2.422 -0.407) 3.665 18.302 ( -0.227 -3.299 -0.231) 3.315 18.302 ( -0.227 3.299 -0.231) 3.315 18.368 ( 0.274 -1.910 0.270) 1.949 18.368 ( 0.274 1.910 0.270) 1.949 18.585 ( 0.506 -1.723 0.132) 1.801 18.585 ( 0.506 1.723 0.132) 1.801 18.608 ( -0.061 -0.679 -0.191) 0.708 18.608 ( -0.061 0.679 -0.191) 0.708 21.759 ( 0.528 -0.370 0.072) 0.649 21.759 ( 0.528 0.370 0.072) 0.649 21.817 ( -0.127 -2.543 0.059) 2.547 21.817 ( -0.127 2.543 0.059) 2.547 22.214 ( -1.456 -0.609 -0.255) 1.598 22.214 ( -1.456 0.609 -0.255) 1.598 22.387 ( -0.182 -3.265 0.335) 3.287 22.387 ( -0.182 3.265 0.335) 3.287 22.464 ( 0.491 -1.779 -0.182) 1.854 22.464 ( 0.491 1.779 -0.182) 1.854 22.912 ( -0.437 -0.732 0.031) 0.853 22.912 ( -0.437 0.732 0.031) 0.853 23.034 ( 0.890 -0.613 -0.147) 1.090 23.034 ( 0.890 0.613 -0.147) 1.090 23.160 ( 0.444 -0.668 0.119) 0.811 23.160 ( 0.444 0.668 0.119) 0.811 ======================= Grid point 55 (19/66) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -11.935 0.000 24.217) 26.998 0.546 ( -10.272 0.000 28.618) 30.405 0.816 ( 8.008 0.000 42.219) 42.972 1.254 ( 9.854 0.000 -14.812) 17.790 1.482 ( 9.520 0.000 -18.887) 21.150 1.726 ( 1.031 0.000 3.245) 3.405 1.808 ( -1.336 0.000 3.732) 3.964 1.814 ( -6.963 0.000 -0.198) 6.966 1.943 ( -10.299 0.000 -8.251) 13.197 1.959 ( -1.747 0.000 1.741) 2.467 2.248 ( -7.560 0.000 -7.929) 10.956 2.340 ( 6.512 0.000 -4.894) 8.146 2.414 ( 3.836 0.000 7.372) 8.310 2.592 ( 0.441 0.000 -4.022) 4.046 2.619 ( 2.746 0.000 8.140) 8.590 2.840 ( 0.165 0.000 2.803) 2.808 3.187 ( -3.641 0.000 -8.046) 8.831 3.260 ( -2.571 0.000 -5.576) 6.140 3.357 ( 2.202 0.000 -3.185) 3.872 3.364 ( 3.088 0.000 -1.180) 3.306 3.493 ( 3.212 0.000 0.698) 3.287 3.543 ( -6.056 0.000 -3.162) 6.831 3.806 ( -11.394 0.000 6.931) 13.336 3.933 ( 1.107 0.000 -1.498) 1.863 3.965 ( -3.519 0.000 4.437) 5.663 4.087 ( 1.721 0.000 -0.112) 1.725 4.142 ( -8.948 0.000 -1.659) 9.100 4.162 ( 4.122 0.000 -3.389) 5.336 4.182 ( 6.382 0.000 3.079) 7.086 4.353 ( -6.731 0.000 7.814) 10.314 4.384 ( -4.756 0.000 -5.911) 7.587 4.665 ( -0.153 0.000 -3.391) 3.394 4.680 ( -1.495 0.000 2.378) 2.808 4.681 ( 0.460 0.000 -1.128) 1.218 4.753 ( 2.016 0.000 1.368) 2.436 4.847 ( 3.201 0.000 -1.527) 3.547 4.967 ( 2.088 0.000 5.896) 6.255 4.980 ( -3.052 0.000 7.278) 7.892 4.996 ( 3.786 0.000 2.876) 4.755 5.112 ( -4.248 0.000 -5.395) 6.867 5.156 ( 1.295 0.000 -1.452) 1.945 5.261 ( -4.098 0.000 -4.093) 5.792 5.294 ( 3.365 0.000 -2.139) 3.987 5.421 ( -3.498 0.000 2.551) 4.329 5.452 ( 1.707 0.000 4.866) 5.157 5.475 ( -0.807 0.000 -3.526) 3.617 5.550 ( 9.922 0.000 7.479) 12.425 5.611 ( -3.445 0.000 -4.290) 5.502 5.665 ( 5.612 0.000 -5.578) 7.912 5.697 ( -3.852 0.000 4.262) 5.745 5.781 ( -4.077 0.000 -0.252) 4.085 5.872 ( -3.992 0.000 -0.523) 4.026 5.874 ( 0.900 0.000 -3.182) 3.306 5.959 ( 1.685 0.000 -0.421) 1.737 6.037 ( 0.232 0.000 -0.814) 0.846 6.071 ( -0.455 0.000 -1.466) 1.535 6.103 ( -2.550 0.000 -1.457) 2.937 6.160 ( 0.720 0.000 -1.931) 2.060 6.188 ( 2.295 0.000 4.080) 4.681 6.335 ( -2.406 0.000 2.376) 3.381 6.340 ( -0.278 0.000 -4.375) 4.383 6.358 ( -1.320 0.000 0.323) 1.359 6.609 ( -0.900 0.000 -0.768) 1.183 6.642 ( -0.475 0.000 7.033) 7.050 6.652 ( 1.749 0.000 -2.424) 2.989 6.813 ( 7.019 0.000 -2.015) 7.303 6.979 ( -4.274 0.000 3.352) 5.432 7.032 ( 4.627 0.000 -0.532) 4.658 7.046 ( -7.734 0.000 -1.010) 7.799 7.049 ( -2.592 0.000 -4.129) 4.875 7.260 ( 6.068 0.000 3.982) 7.258 7.280 ( 1.568 0.000 2.088) 2.612 7.342 ( 3.193 0.000 -0.450) 3.225 7.364 ( -4.107 0.000 -0.797) 4.184 7.593 ( 2.094 0.000 -1.219) 2.423 7.655 ( -2.422 0.000 -4.847) 5.419 7.729 ( 8.479 0.000 1.702) 8.648 7.794 ( -4.133 0.000 -1.256) 4.320 7.931 ( -0.791 0.000 2.942) 3.047 7.980 ( 6.082 0.000 1.179) 6.196 8.131 ( 0.809 0.000 0.614) 1.016 8.179 ( -2.044 0.000 -1.348) 2.448 8.231 ( 0.603 0.000 2.193) 2.275 8.276 ( 1.040 0.000 0.312) 1.086 8.326 ( -2.899 0.000 -0.504) 2.942 8.327 ( -0.128 0.000 -0.811) 0.821 8.530 ( 0.385 0.000 0.298) 0.487 8.549 ( -0.657 0.000 -0.606) 0.894 8.552 ( -0.954 0.000 1.409) 1.701 8.650 ( 3.181 0.000 -2.637) 4.131 8.682 ( 0.012 0.000 0.637) 0.637 8.703 ( -0.362 0.000 -0.172) 0.401 9.386 ( 0.710 0.000 -0.157) 0.727 9.387 ( -1.578 0.000 -0.100) 1.581 9.460 ( 3.111 0.000 0.474) 3.147 9.462 ( -0.288 0.000 0.518) 0.593 9.704 ( 6.303 0.000 1.515) 6.483 9.725 ( -1.052 0.000 3.351) 3.512 9.782 ( -1.742 0.000 -2.028) 2.673 9.851 ( 1.793 0.000 -2.977) 3.475 9.924 ( -1.090 0.000 2.731) 2.940 9.935 ( 2.750 0.000 2.585) 3.775 10.029 ( -1.730 0.000 -1.707) 2.430 10.044 ( -0.397 0.000 -1.585) 1.634 10.846 ( 0.761 0.000 1.106) 1.343 10.890 ( -1.356 0.000 2.971) 3.265 10.940 ( 0.426 0.000 -2.994) 3.024 10.975 ( -0.118 0.000 -1.412) 1.417 10.981 ( 0.077 0.000 -2.153) 2.155 11.030 ( -3.634 0.000 -1.190) 3.824 11.096 ( -3.248 0.000 1.815) 3.721 11.102 ( -1.094 0.000 -0.094) 1.098 11.205 ( 8.446 0.000 1.502) 8.578 11.235 ( -6.250 0.000 -0.066) 6.250 11.335 ( -20.427 0.000 0.877) 20.446 11.423 ( 0.210 0.000 -2.850) 2.857 11.888 ( 1.490 0.000 2.317) 2.755 11.966 ( -1.463 0.000 -1.189) 1.885 12.048 ( -1.345 0.000 0.687) 1.510 12.084 ( 0.100 0.000 -0.861) 0.866 13.988 ( -0.957 0.000 0.609) 1.134 14.014 ( 0.843 0.000 1.503) 1.723 14.026 ( 0.987 0.000 -0.945) 1.366 14.076 ( -0.699 0.000 -1.198) 1.387 14.649 ( 1.009 0.000 0.037) 1.010 14.701 ( -1.729 0.000 1.518) 2.301 14.710 ( 1.627 0.000 -2.710) 3.161 14.751 ( 1.275 0.000 -0.870) 1.544 14.839 ( 0.763 0.000 0.404) 0.863 14.845 ( -0.613 0.000 0.380) 0.721 14.935 ( -0.610 0.000 1.202) 1.347 15.017 ( 0.668 0.000 -3.023) 3.096 15.290 ( 2.160 0.000 5.835) 6.222 15.466 ( -3.179 0.000 -2.626) 4.123 15.597 ( -21.922 0.000 0.506) 21.928 15.613 ( 5.320 0.000 -0.188) 5.324 16.697 ( 33.948 0.000 1.943) 34.003 16.819 ( -9.969 0.000 -3.558) 10.585 17.111 ( -2.577 0.000 3.284) 4.175 17.186 ( 6.338 0.000 0.746) 6.382 17.672 ( 3.038 0.000 -1.122) 3.239 17.693 ( -9.504 0.000 -2.856) 9.924 17.826 ( 10.276 0.000 1.295) 10.357 17.847 ( -24.304 0.000 -0.044) 24.304 18.049 ( -2.104 0.000 -0.199) 2.114 18.051 ( 3.019 0.000 -0.412) 3.047 18.123 ( 1.791 0.000 1.069) 2.086 18.138 ( -18.996 0.000 0.266) 18.998 18.650 ( 0.238 0.000 -0.024) 0.239 18.653 ( -0.292 0.000 -0.177) 0.342 18.725 ( 0.584 0.000 0.165) 0.607 18.728 ( -0.207 0.000 0.041) 0.211 21.710 ( -0.462 0.000 0.204) 0.505 21.723 ( 0.428 0.000 -0.321) 0.535 21.879 ( 29.828 0.000 0.356) 29.830 21.893 ( -4.986 0.000 -0.193) 4.990 22.316 ( 0.935 0.000 0.302) 0.982 22.331 ( -1.217 0.000 -0.304) 1.254 22.528 ( -16.896 0.000 1.748) 16.986 22.604 ( 3.950 0.000 -1.460) 4.211 22.813 ( 5.450 0.000 -0.299) 5.458 22.824 ( -2.452 0.000 -1.015) 2.654 22.914 ( 0.290 0.000 2.725) 2.741 23.027 ( 0.003 0.000 -2.325) 2.325 23.245 ( 0.165 0.000 1.941) 1.948 23.332 ( -0.152 0.000 -1.795) 1.801 23.475 ( 1.331 0.000 0.502) 1.422 23.496 ( -3.051 0.000 -0.436) 3.082 ======================= Grid point 56 (20/66) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 17.197 0.000 11.040) 20.436 0.659 ( 9.165 0.000 20.033) 22.029 1.322 ( 1.893 0.000 -18.016) 18.115 1.339 ( 22.317 0.000 30.453) 37.755 1.579 ( 0.347 0.000 -13.672) 13.676 1.622 ( -9.310 0.000 8.755) 12.780 1.649 ( -1.222 0.000 -1.070) 1.624 1.722 ( -9.785 0.000 4.912) 10.949 1.777 ( -3.836 0.000 -1.707) 4.199 1.868 ( -6.583 0.000 -1.942) 6.863 2.106 ( -3.234 0.000 -8.502) 9.096 2.492 ( 9.359 0.000 -0.271) 9.363 2.532 ( 2.741 0.000 8.308) 8.749 2.586 ( 0.199 0.000 -6.884) 6.887 2.644 ( -0.881 0.000 1.421) 1.672 2.749 ( -10.525 0.000 -3.369) 11.051 3.058 ( -5.928 0.000 -0.669) 5.965 3.197 ( -1.064 0.000 -4.445) 4.570 3.311 ( -3.483 0.000 -0.583) 3.532 3.373 ( 1.246 0.000 -4.743) 4.904 3.455 ( -1.849 0.000 2.542) 3.144 3.575 ( 4.338 0.000 -0.403) 4.357 3.624 ( -6.383 0.000 6.506) 9.115 3.884 ( -3.686 0.000 -1.875) 4.136 3.931 ( -6.178 0.000 2.244) 6.573 4.041 ( 1.634 0.000 0.995) 1.913 4.043 ( -4.635 0.000 0.409) 4.653 4.264 ( -0.842 0.000 5.957) 6.016 4.277 ( 6.884 0.000 -1.119) 6.974 4.359 ( 3.138 0.000 -3.558) 4.744 4.417 ( 6.314 0.000 9.919) 11.758 4.632 ( -1.481 0.000 -4.268) 4.517 4.679 ( 1.424 0.000 -2.493) 2.871 4.702 ( 0.327 0.000 0.603) 0.686 4.827 ( 3.775 0.000 4.775) 6.086 4.876 ( 0.632 0.000 -2.266) 2.353 5.005 ( -1.409 0.000 -2.857) 3.186 5.014 ( 0.668 0.000 -0.316) 0.739 5.026 ( 1.524 0.000 0.287) 1.551 5.092 ( -7.178 0.000 1.565) 7.347 5.114 ( 6.128 0.000 4.276) 7.472 5.231 ( 5.336 0.000 5.520) 7.678 5.328 ( -0.412 0.000 0.796) 0.896 5.395 ( -1.476 0.000 0.663) 1.618 5.417 ( 2.461 0.000 -12.905) 13.138 5.446 ( -3.827 0.000 5.000) 6.297 5.598 ( 0.390 0.000 -0.825) 0.913 5.675 ( 0.076 0.000 -0.611) 0.616 5.696 ( -2.136 0.000 -3.834) 4.389 5.703 ( -0.842 0.000 5.247) 5.315 5.765 ( 2.966 0.000 1.416) 3.287 5.803 ( -1.883 0.000 -6.339) 6.612 5.888 ( 0.332 0.000 -1.707) 1.739 5.981 ( -0.080 0.000 1.797) 1.799 6.041 ( -0.600 0.000 -1.654) 1.760 6.051 ( -0.358 0.000 0.295) 0.464 6.067 ( 3.211 0.000 -2.378) 3.995 6.138 ( -1.824 0.000 0.649) 1.936 6.250 ( 2.755 0.000 5.179) 5.866 6.336 ( 2.361 0.000 -4.531) 5.109 6.383 ( 3.829 0.000 0.660) 3.886 6.440 ( 8.934 0.000 3.438) 9.572 6.581 ( -4.594 0.000 1.521) 4.839 6.583 ( -1.448 0.000 -1.281) 1.933 6.716 ( 1.572 0.000 -0.268) 1.594 6.768 ( -4.438 0.000 3.765) 5.820 6.894 ( -5.315 0.000 2.874) 6.042 6.992 ( -0.128 0.000 1.440) 1.446 7.024 ( 1.188 0.000 -0.702) 1.380 7.144 ( 3.650 0.000 -3.771) 5.248 7.250 ( -8.421 0.000 -2.610) 8.816 7.259 ( -1.712 0.000 2.599) 3.112 7.329 ( 0.674 0.000 -2.737) 2.819 7.460 ( 7.273 0.000 1.369) 7.401 7.545 ( -5.170 0.000 1.892) 5.505 7.592 ( -0.772 0.000 -4.212) 4.282 7.751 ( 1.123 0.000 -1.510) 1.882 7.906 ( 3.969 0.000 0.932) 4.077 7.928 ( -0.779 0.000 0.870) 1.168 8.022 ( -0.600 0.000 -4.455) 4.496 8.115 ( -3.293 0.000 -1.631) 3.675 8.134 ( -0.992 0.000 1.185) 1.545 8.183 ( -5.923 0.000 -0.954) 5.999 8.280 ( 0.319 0.000 0.102) 0.335 8.311 ( 2.203 0.000 0.984) 2.413 8.346 ( 2.209 0.000 0.176) 2.216 8.504 ( -3.044 0.000 0.354) 3.065 8.521 ( -1.684 0.000 -0.469) 1.748 8.563 ( 1.356 0.000 1.502) 2.024 8.681 ( -0.652 0.000 0.955) 1.157 8.695 ( 1.619 0.000 -2.179) 2.715 8.714 ( 1.856 0.000 -1.609) 2.456 9.365 ( -0.440 0.000 -0.510) 0.673 9.384 ( -0.850 0.000 0.309) 0.905 9.476 ( 1.319 0.000 0.246) 1.342 9.498 ( 0.661 0.000 0.897) 1.114 9.708 ( -1.209 0.000 3.065) 3.295 9.765 ( 0.773 0.000 -1.999) 2.143 9.858 ( 0.001 0.000 -2.035) 2.035 9.888 ( 4.573 0.000 -1.959) 4.975 9.940 ( 4.617 0.000 -2.083) 5.066 9.968 ( -2.844 0.000 -3.225) 4.300 9.997 ( 2.016 0.000 2.259) 3.027 10.038 ( 0.821 0.000 -1.914) 2.082 10.682 ( -12.680 0.000 11.760) 17.294 10.889 ( 0.723 0.000 2.646) 2.743 10.914 ( -1.590 0.000 -5.218) 5.455 10.961 ( -0.734 0.000 -0.167) 0.753 10.979 ( 1.063 0.000 5.017) 5.129 10.989 ( 0.347 0.000 -0.468) 0.583 11.010 ( 0.917 0.000 1.845) 2.060 11.113 ( 2.032 0.000 0.467) 2.085 11.138 ( -0.438 0.000 0.555) 0.707 11.251 ( -2.751 0.000 3.316) 4.308 11.338 ( 0.835 0.000 -2.163) 2.318 11.413 ( 2.175 0.000 1.920) 2.902 11.935 ( -0.572 0.000 -1.812) 1.900 11.939 ( 2.315 0.000 3.112) 3.879 12.014 ( -2.358 0.000 -0.053) 2.358 12.097 ( 0.863 0.000 -0.135) 0.874 13.965 ( -1.194 0.000 0.518) 1.302 14.002 ( -1.427 0.000 -0.566) 1.535 14.050 ( 1.433 0.000 1.803) 2.303 14.094 ( 1.724 0.000 -1.301) 2.160 14.650 ( -1.750 0.000 -0.267) 1.771 14.676 ( -0.362 0.000 2.002) 2.035 14.720 ( 1.017 0.000 -4.665) 4.775 14.776 ( 1.443 0.000 -0.888) 1.695 14.837 ( -0.067 0.000 0.194) 0.205 14.868 ( 1.599 0.000 0.672) 1.734 14.972 ( 3.831 0.000 0.166) 3.835 15.002 ( -1.314 0.000 0.280) 1.344 15.348 ( -5.796 0.000 2.594) 6.350 15.369 ( -4.898 0.000 -2.660) 5.574 15.377 ( 2.534 0.000 7.857) 8.256 15.712 ( 3.553 0.000 2.153) 4.154 16.569 ( -10.545 0.000 -6.425) 12.349 16.967 ( -5.085 0.000 -4.352) 6.693 17.250 ( 16.515 0.000 -6.912) 17.903 17.321 ( -19.551 0.000 14.859) 24.557 17.322 ( 5.550 0.000 -2.132) 5.945 17.515 ( -7.070 0.000 0.976) 7.137 17.748 ( 4.431 0.000 3.771) 5.818 17.929 ( 1.261 0.000 0.311) 1.299 18.022 ( -0.105 0.000 -0.782) 0.789 18.064 ( -0.766 0.000 1.975) 2.118 18.094 ( 1.007 0.000 -0.851) 1.319 18.256 ( 8.404 0.000 5.292) 9.931 18.634 ( -1.764 0.000 -0.608) 1.866 18.652 ( 0.128 0.000 0.099) 0.162 18.722 ( -0.210 0.000 0.022) 0.211 18.728 ( -0.122 0.000 0.147) 0.191 21.655 ( -3.880 0.000 -0.968) 3.998 21.723 ( 0.414 0.000 -1.170) 1.241 21.854 ( 1.497 0.000 -3.145) 3.483 22.122 ( -10.001 0.000 6.481) 11.918 22.247 ( 5.063 0.000 -9.146) 10.454 22.283 ( -3.274 0.000 1.550) 3.622 22.487 ( 4.333 0.000 1.106) 4.472 22.720 ( 5.546 0.000 1.181) 5.670 22.792 ( 0.365 0.000 -2.028) 2.061 22.929 ( -0.024 0.000 2.614) 2.614 22.946 ( 7.646 0.000 -4.863) 9.062 23.031 ( 2.019 0.000 -3.389) 3.945 23.260 ( 0.293 0.000 2.346) 2.365 23.328 ( 0.632 0.000 -1.986) 2.084 23.386 ( -6.670 0.000 3.735) 7.645 23.487 ( -0.450 0.000 0.639) 0.781 ======================= Grid point 57 (21/66) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 14.758 0.000 8.131) 16.849 1.035 ( 22.872 0.000 4.716) 23.353 1.248 ( 2.139 0.000 -9.207) 9.453 1.273 ( -17.975 0.000 -3.092) 18.239 1.467 ( -12.913 0.000 2.802) 13.214 1.495 ( -13.969 0.000 8.572) 16.389 1.611 ( -5.248 0.000 -4.353) 6.818 1.797 ( 0.356 0.000 13.273) 13.278 1.802 ( 9.019 0.000 -8.390) 12.318 1.969 ( 16.012 0.000 14.103) 21.337 2.082 ( 6.197 0.000 -7.275) 9.557 2.320 ( -22.323 0.000 -0.375) 22.326 2.554 ( -0.397 0.000 -7.627) 7.637 2.563 ( -2.350 0.000 4.550) 5.121 2.657 ( 1.664 0.000 0.580) 1.762 2.722 ( 8.046 0.000 -6.141) 10.122 3.002 ( 0.312 0.000 0.846) 0.902 3.166 ( -0.305 0.000 -3.807) 3.819 3.258 ( -2.699 0.000 -2.639) 3.775 3.363 ( 0.512 0.000 -7.435) 7.452 3.466 ( 2.130 0.000 1.669) 2.706 3.596 ( -0.355 0.000 8.640) 8.647 3.639 ( 3.272 0.000 -4.676) 5.707 3.812 ( -2.504 0.000 -2.035) 3.226 3.853 ( -2.421 0.000 2.724) 3.644 3.978 ( -2.188 0.000 0.596) 2.268 4.048 ( -3.894 0.000 8.323) 9.189 4.309 ( 4.438 0.000 1.806) 4.791 4.394 ( 6.781 0.000 -3.211) 7.503 4.405 ( 2.337 0.000 -1.332) 2.690 4.556 ( 1.537 0.000 7.226) 7.388 4.561 ( -4.910 0.000 -1.196) 5.053 4.643 ( -5.926 0.000 2.503) 6.433 4.688 ( 1.339 0.000 -5.644) 5.801 4.827 ( -3.129 0.000 -5.965) 6.736 4.912 ( 0.932 0.000 8.423) 8.475 4.962 ( 1.611 0.000 0.759) 1.781 5.020 ( 2.299 0.000 -6.867) 7.241 5.045 ( 4.569 0.000 5.117) 6.860 5.152 ( -3.696 0.000 -1.481) 3.982 5.227 ( 10.576 0.000 2.092) 10.781 5.295 ( -4.157 0.000 9.873) 10.712 5.338 ( -2.286 0.000 3.398) 4.095 5.347 ( -0.424 0.000 -6.856) 6.869 5.402 ( 0.686 0.000 -0.278) 0.740 5.494 ( 8.098 0.000 -7.656) 11.144 5.563 ( -7.862 0.000 3.752) 8.711 5.613 ( -3.322 0.000 -0.211) 3.329 5.618 ( -1.789 0.000 -5.223) 5.521 5.732 ( 5.143 0.000 -0.178) 5.146 5.767 ( 3.902 0.000 -8.857) 9.679 5.811 ( 1.054 0.000 3.099) 3.274 5.826 ( -7.248 0.000 -0.248) 7.252 5.958 ( -0.395 0.000 0.358) 0.533 6.022 ( -3.916 0.000 1.127) 4.075 6.058 ( 0.731 0.000 -1.158) 1.370 6.127 ( -0.538 0.000 3.833) 3.870 6.141 ( 3.632 0.000 1.683) 4.003 6.334 ( 2.984 0.000 4.601) 5.484 6.388 ( 3.813 0.000 -1.060) 3.958 6.497 ( -2.552 0.000 0.429) 2.588 6.508 ( 6.316 0.000 0.775) 6.363 6.510 ( -2.470 0.000 -4.888) 5.477 6.621 ( 4.296 0.000 2.076) 4.772 6.684 ( -4.629 0.000 1.445) 4.849 6.786 ( 5.326 0.000 3.666) 6.466 6.859 ( 0.751 0.000 0.686) 1.018 6.953 ( -15.411 0.000 -1.877) 15.525 7.021 ( 1.190 0.000 -0.191) 1.205 7.068 ( 3.119 0.000 0.110) 3.121 7.169 ( -2.080 0.000 0.123) 2.084 7.201 ( -4.406 0.000 -2.311) 4.975 7.386 ( 5.855 0.000 -5.543) 8.063 7.403 ( -5.005 0.000 4.670) 6.846 7.595 ( 2.132 0.000 -2.607) 3.368 7.602 ( 1.090 0.000 0.180) 1.105 7.800 ( 2.992 0.000 0.656) 3.063 7.872 ( -5.519 0.000 2.298) 5.978 7.886 ( -2.049 0.000 -2.047) 2.897 8.004 ( 0.404 0.000 -3.880) 3.901 8.082 ( 0.926 0.000 2.836) 2.983 8.108 ( -0.951 0.000 -0.698) 1.180 8.127 ( 0.040 0.000 -1.629) 1.629 8.284 ( 0.120 0.000 -1.511) 1.516 8.371 ( 2.723 0.000 1.988) 3.371 8.390 ( 1.814 0.000 0.852) 2.004 8.436 ( -3.694 0.000 0.293) 3.705 8.488 ( -1.087 0.000 -1.256) 1.661 8.606 ( 2.205 0.000 1.497) 2.665 8.662 ( -1.864 0.000 1.441) 2.356 8.705 ( 0.333 0.000 -1.871) 1.900 8.736 ( 1.163 0.000 -1.887) 2.216 9.365 ( 0.755 0.000 -0.867) 1.150 9.367 ( -0.838 0.000 0.246) 0.873 9.499 ( 0.663 0.000 0.307) 0.731 9.500 ( -1.154 0.000 2.127) 2.420 9.705 ( -0.576 0.000 2.606) 2.669 9.776 ( 0.739 0.000 -1.101) 1.326 9.843 ( -0.355 0.000 -1.418) 1.462 9.872 ( -3.441 0.000 -3.305) 4.771 9.922 ( 0.152 0.000 2.086) 2.092 10.007 ( 1.169 0.000 0.415) 1.240 10.014 ( -0.362 0.000 -0.153) 0.393 10.056 ( 1.214 0.000 -1.782) 2.156 10.647 ( 2.918 0.000 0.625) 2.985 10.859 ( -1.021 0.000 -5.123) 5.223 10.912 ( 0.136 0.000 2.569) 2.573 10.979 ( 1.169 0.000 0.354) 1.222 10.991 ( 0.342 0.000 1.276) 1.322 11.025 ( 1.378 0.000 2.802) 3.123 11.074 ( 2.920 0.000 8.863) 9.332 11.137 ( -0.000 0.000 -0.169) 0.169 11.185 ( 5.540 0.000 -1.243) 5.678 11.205 ( -2.908 0.000 2.148) 3.615 11.265 ( -4.690 0.000 -3.032) 5.585 11.450 ( -0.933 0.000 -0.597) 1.108 11.933 ( 0.984 0.000 -1.098) 1.474 11.961 ( -2.731 0.000 -0.845) 2.859 11.995 ( 1.843 0.000 3.274) 3.757 12.103 ( -0.084 0.000 -0.748) 0.753 13.952 ( -0.393 0.000 0.470) 0.613 13.983 ( -0.323 0.000 -0.694) 0.765 14.072 ( -0.042 0.000 1.602) 1.603 14.113 ( 0.717 0.000 -0.752) 1.039 14.616 ( -1.281 0.000 0.349) 1.327 14.686 ( 0.144 0.000 2.004) 2.009 14.709 ( 0.209 0.000 -4.470) 4.475 14.790 ( 0.478 0.000 -1.572) 1.643 14.843 ( 0.256 0.000 0.422) 0.494 14.887 ( 0.053 0.000 -0.336) 0.340 14.989 ( -0.390 0.000 2.686) 2.714 15.059 ( 4.795 0.000 -1.283) 4.963 15.272 ( -2.543 0.000 -2.081) 3.286 15.273 ( -3.728 0.000 -1.090) 3.884 15.486 ( 4.164 0.000 9.333) 10.220 15.745 ( -0.835 0.000 0.843) 1.187 16.450 ( 0.721 0.000 -1.339) 1.521 16.805 ( -8.247 0.000 -7.478) 11.132 17.143 ( -6.689 0.000 10.826) 12.726 17.341 ( 0.332 0.000 -4.488) 4.501 17.460 ( -1.730 0.000 2.427) 2.980 17.467 ( 9.509 0.000 -7.075) 11.852 17.867 ( 4.760 0.000 9.803) 10.898 17.941 ( 0.394 0.000 0.661) 0.769 18.016 ( 0.181 0.000 -1.576) 1.587 18.066 ( -0.173 0.000 2.037) 2.045 18.101 ( 0.289 0.000 -0.842) 0.890 18.347 ( -1.553 0.000 -0.638) 1.679 18.606 ( 0.078 0.000 0.815) 0.818 18.655 ( 0.056 0.000 0.081) 0.099 18.721 ( -0.053 0.000 0.049) 0.072 18.725 ( -0.160 0.000 -0.046) 0.167 21.611 ( -0.186 0.000 -0.328) 0.377 21.720 ( 0.169 0.000 -3.578) 3.582 21.896 ( 3.841 0.000 -1.633) 4.174 21.959 ( -8.584 0.000 4.316) 9.608 22.230 ( -3.165 0.000 2.032) 3.761 22.288 ( 2.486 0.000 -4.407) 5.059 22.562 ( 3.074 0.000 2.474) 3.946 22.756 ( -0.562 0.000 -0.453) 0.722 22.821 ( 1.485 0.000 -1.663) 2.230 22.951 ( 0.914 0.000 4.101) 4.202 22.998 ( 1.389 0.000 -5.866) 6.028 23.090 ( 4.728 0.000 -3.723) 6.018 23.248 ( -3.674 0.000 2.808) 4.625 23.326 ( -1.034 0.000 4.409) 4.529 23.335 ( 0.981 0.000 -2.181) 2.391 23.466 ( -1.441 0.000 -0.732) 1.616 ======================= Grid point 58 (22/66) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -21.831 0.000 0.955) 21.852 1.089 ( -18.258 0.000 13.223) 22.543 1.183 ( -1.364 0.000 -4.275) 4.488 1.393 ( 6.990 0.000 0.639) 7.019 1.433 ( 3.551 0.000 -0.897) 3.663 1.463 ( 11.859 0.000 0.392) 11.865 1.507 ( 8.870 0.000 -7.418) 11.563 1.689 ( -30.355 0.000 8.994) 31.660 1.891 ( 3.812 0.000 15.446) 15.910 1.917 ( 6.114 0.000 -7.420) 9.614 2.248 ( 10.672 0.000 2.286) 10.915 2.319 ( 4.111 0.000 -7.493) 8.546 2.489 ( -7.057 0.000 1.317) 7.179 2.564 ( 4.625 0.000 1.564) 4.882 2.670 ( -1.523 0.000 -0.964) 1.803 2.789 ( 2.641 0.000 -5.614) 6.205 3.079 ( 5.900 0.000 2.815) 6.537 3.168 ( 2.953 0.000 -4.669) 5.525 3.212 ( 0.833 0.000 -4.123) 4.206 3.331 ( 0.344 0.000 -7.626) 7.634 3.536 ( 4.157 0.000 0.575) 4.197 3.632 ( -1.941 0.000 -5.665) 5.988 3.668 ( 2.910 0.000 10.036) 10.450 3.793 ( 1.983 0.000 -3.393) 3.930 3.873 ( 2.980 0.000 3.201) 4.373 3.970 ( 1.337 0.000 -0.499) 1.427 4.013 ( -3.167 0.000 10.431) 10.901 4.367 ( -7.025 0.000 -3.794) 7.984 4.372 ( -2.034 0.000 0.869) 2.211 4.487 ( 3.177 0.000 -0.377) 3.200 4.500 ( -5.056 0.000 6.000) 7.847 4.519 ( 4.056 0.000 -1.847) 4.457 4.596 ( 1.171 0.000 -0.707) 1.368 4.686 ( 0.529 0.000 -2.452) 2.508 4.820 ( 1.150 0.000 -0.353) 1.203 4.919 ( -3.365 0.000 8.659) 9.290 5.016 ( -2.624 0.000 -7.373) 7.826 5.047 ( -4.297 0.000 -4.323) 6.095 5.050 ( 6.556 0.000 3.610) 7.484 5.162 ( 3.281 0.000 6.631) 7.398 5.199 ( -4.755 0.000 -0.468) 4.778 5.264 ( -8.195 0.000 -1.388) 8.312 5.284 ( -3.219 0.000 5.616) 6.473 5.365 ( 0.641 0.000 1.221) 1.379 5.378 ( -2.460 0.000 -4.564) 5.185 5.493 ( 3.852 0.000 -1.546) 4.151 5.588 ( 3.807 0.000 -1.486) 4.087 5.597 ( 1.272 0.000 -3.537) 3.759 5.619 ( -0.383 0.000 -1.968) 2.005 5.700 ( 1.667 0.000 -5.049) 5.317 5.809 ( 0.480 0.000 1.506) 1.581 5.854 ( 1.539 0.000 3.900) 4.193 5.899 ( 10.124 0.000 -4.516) 11.085 5.949 ( -0.922 0.000 -0.367) 0.992 5.969 ( 0.858 0.000 1.376) 1.621 6.057 ( -0.562 0.000 1.280) 1.398 6.105 ( -4.149 0.000 2.204) 4.699 6.180 ( -1.142 0.000 3.458) 3.642 6.378 ( -0.638 0.000 -1.839) 1.947 6.395 ( -2.525 0.000 2.418) 3.496 6.419 ( -5.313 0.000 0.246) 5.318 6.500 ( 3.939 0.000 -3.907) 5.548 6.570 ( -7.497 0.000 3.394) 8.229 6.613 ( -6.563 0.000 -1.396) 6.710 6.631 ( 2.440 0.000 4.810) 5.393 6.695 ( -4.911 0.000 -0.255) 4.917 6.920 ( 5.873 0.000 0.007) 5.873 6.943 ( 7.197 0.000 1.455) 7.342 7.071 ( 3.198 0.000 0.407) 3.224 7.078 ( -2.758 0.000 -0.194) 2.765 7.139 ( -0.193 0.000 -1.744) 1.755 7.158 ( 1.021 0.000 -1.380) 1.717 7.388 ( 1.408 0.000 1.275) 1.899 7.454 ( 2.165 0.000 -1.212) 2.481 7.519 ( -6.515 0.000 -2.564) 7.002 7.631 ( 2.638 0.000 -0.785) 2.753 7.810 ( -0.583 0.000 0.151) 0.602 7.834 ( 1.160 0.000 2.883) 3.108 7.906 ( 1.993 0.000 0.677) 2.105 7.974 ( -1.797 0.000 -5.584) 5.866 8.114 ( -0.223 0.000 -2.206) 2.217 8.118 ( 2.617 0.000 -0.591) 2.683 8.158 ( 3.112 0.000 4.266) 5.280 8.262 ( -1.045 0.000 -3.581) 3.730 8.369 ( -2.109 0.000 2.128) 2.996 8.405 ( -0.990 0.000 0.170) 1.005 8.442 ( 2.901 0.000 0.383) 2.926 8.488 ( 1.941 0.000 -1.347) 2.362 8.622 ( -2.795 0.000 2.472) 3.731 8.651 ( 1.387 0.000 0.803) 1.603 8.689 ( -0.878 0.000 -2.518) 2.667 8.738 ( -0.141 0.000 -1.587) 1.593 9.359 ( 0.013 0.000 -0.121) 0.122 9.381 ( 1.245 0.000 -1.014) 1.606 9.476 ( -2.447 0.000 2.728) 3.664 9.499 ( -0.807 0.000 0.464) 0.930 9.704 ( -0.798 0.000 1.727) 1.903 9.784 ( 0.775 0.000 -0.492) 0.918 9.794 ( -3.234 0.000 -1.598) 3.607 9.839 ( 0.511 0.000 -1.126) 1.237 9.937 ( -0.062 0.000 2.059) 2.060 9.982 ( -3.027 0.000 -1.124) 3.229 10.023 ( 0.502 0.000 2.132) 2.190 10.061 ( 0.602 0.000 -2.400) 2.474 10.726 ( 4.949 0.000 -2.065) 5.363 10.849 ( 2.630 0.000 -4.650) 5.343 10.913 ( -1.130 0.000 2.397) 2.650 10.977 ( -0.254 0.000 -0.505) 0.566 11.032 ( 1.831 0.000 2.682) 3.248 11.046 ( -0.715 0.000 0.437) 0.838 11.102 ( -1.900 0.000 1.593) 2.480 11.156 ( -4.857 0.000 -2.374) 5.406 11.197 ( 1.635 0.000 0.723) 1.788 11.214 ( 5.244 0.000 14.988) 15.879 11.298 ( 6.257 0.000 -2.316) 6.672 11.372 ( -5.441 0.000 -4.537) 7.084 11.907 ( -2.465 0.000 -0.534) 2.522 11.957 ( 1.644 0.000 0.100) 1.647 12.037 ( 1.115 0.000 2.535) 2.770 12.089 ( -0.694 0.000 -1.467) 1.623 13.954 ( 0.369 0.000 0.534) 0.648 13.983 ( 0.541 0.000 -0.766) 0.938 14.063 ( -1.487 0.000 1.233) 1.932 14.114 ( -0.338 0.000 -0.205) 0.395 14.610 ( 0.341 0.000 0.430) 0.549 14.695 ( 0.372 0.000 -3.830) 3.848 14.698 ( 0.053 0.000 2.272) 2.273 14.780 ( -0.607 0.000 -1.938) 2.031 14.846 ( -0.195 0.000 1.077) 1.094 14.868 ( -1.397 0.000 -0.954) 1.691 15.006 ( 0.723 0.000 1.422) 1.596 15.071 ( -3.499 0.000 -0.886) 3.609 15.232 ( -0.818 0.000 -0.833) 1.167 15.285 ( 5.797 0.000 -0.479) 5.817 15.616 ( 5.189 0.000 10.846) 12.024 15.699 ( -3.335 0.000 -2.277) 4.038 16.567 ( 9.597 0.000 4.777) 10.720 16.601 ( -8.900 0.000 -11.691) 14.693 17.112 ( -1.566 0.000 7.000) 7.173 17.368 ( 1.947 0.000 -2.446) 3.127 17.407 ( -1.778 0.000 -0.988) 2.034 17.575 ( 5.135 0.000 -4.376) 6.747 17.955 ( 0.288 0.000 1.332) 1.363 17.963 ( 0.139 0.000 3.501) 3.504 18.057 ( 2.084 0.000 2.497) 3.253 18.090 ( 4.397 0.000 10.084) 11.001 18.099 ( -0.150 0.000 -1.449) 1.457 18.220 ( -8.193 0.000 -6.044) 10.181 18.637 ( 1.491 0.000 1.339) 2.004 18.652 ( -0.268 0.000 -0.407) 0.488 18.719 ( -0.050 0.000 0.050) 0.070 18.723 ( -0.063 0.000 -0.077) 0.100 21.636 ( 2.167 0.000 1.119) 2.439 21.685 ( -1.759 0.000 -6.568) 6.799 21.840 ( -5.650 0.000 2.060) 6.014 21.974 ( 3.653 0.000 2.198) 4.263 22.185 ( -1.545 0.000 0.118) 1.549 22.310 ( 1.397 0.000 -2.011) 2.449 22.633 ( 2.909 0.000 4.034) 4.974 22.712 ( -2.956 0.000 -3.811) 4.823 22.835 ( 0.567 0.000 1.748) 1.838 22.969 ( -1.513 0.000 3.144) 3.489 22.976 ( -0.508 0.000 -8.221) 8.237 23.117 ( -1.096 0.000 -4.498) 4.630 23.208 ( -0.445 0.000 4.291) 4.314 23.341 ( 0.637 0.000 -1.726) 1.839 23.354 ( 1.365 0.000 5.482) 5.649 23.442 ( -0.220 0.000 -1.885) 1.897 ======================= Grid point 59 (23/66) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -14.444 0.000 16.825) 22.175 0.754 ( -21.543 0.000 21.600) 30.507 1.025 ( -34.155 0.000 20.270) 39.717 1.173 ( 4.634 0.000 -13.385) 14.164 1.436 ( 2.932 0.000 -14.695) 14.984 1.581 ( 10.752 0.000 1.729) 10.890 1.710 ( 9.823 0.000 3.189) 10.328 1.802 ( 9.539 0.000 1.713) 9.691 1.957 ( 0.621 0.000 -1.840) 1.942 2.045 ( 3.707 0.000 7.607) 8.462 2.302 ( 1.422 0.000 -9.138) 9.248 2.332 ( -7.202 0.000 0.469) 7.217 2.458 ( 7.182 0.000 8.468) 11.104 2.544 ( -8.687 0.000 -7.028) 11.174 2.610 ( -0.282 0.000 -1.063) 1.100 2.807 ( 1.844 0.000 -2.650) 3.229 3.217 ( 5.162 0.000 -3.157) 6.051 3.242 ( 6.027 0.000 -3.677) 7.060 3.250 ( 5.474 0.000 -1.027) 5.569 3.330 ( 2.230 0.000 -4.284) 4.829 3.530 ( -5.564 0.000 -3.256) 6.447 3.594 ( 1.252 0.000 -1.389) 1.870 3.776 ( 4.049 0.000 7.274) 8.325 3.853 ( 5.987 0.000 -3.874) 7.131 3.981 ( 5.826 0.000 2.563) 6.365 4.019 ( 4.162 0.000 -1.671) 4.485 4.040 ( 1.848 0.000 7.711) 7.929 4.211 ( -5.680 0.000 -5.089) 7.626 4.265 ( -7.158 0.000 3.012) 7.765 4.463 ( -2.709 0.000 4.188) 4.988 4.499 ( -2.658 0.000 -2.571) 3.699 4.610 ( 4.904 0.000 2.471) 5.492 4.658 ( 3.287 0.000 -0.455) 3.319 4.688 ( -0.206 0.000 1.044) 1.065 4.825 ( 0.049 0.000 -0.621) 0.623 4.829 ( -8.713 0.000 -0.710) 8.742 4.938 ( 0.080 0.000 2.345) 2.346 4.961 ( -2.286 0.000 -1.355) 2.657 5.058 ( -8.203 0.000 4.141) 9.189 5.161 ( -0.041 0.000 -3.857) 3.858 5.192 ( -1.898 0.000 -0.374) 1.935 5.237 ( 6.243 0.000 1.517) 6.424 5.271 ( 0.024 0.000 -2.262) 2.262 5.364 ( 3.697 0.000 1.255) 3.905 5.411 ( 2.640 0.000 4.642) 5.340 5.453 ( -2.813 0.000 -1.938) 3.416 5.532 ( -3.934 0.000 0.662) 3.990 5.616 ( 2.436 0.000 -4.062) 4.736 5.703 ( 1.550 0.000 -5.135) 5.364 5.775 ( -5.401 0.000 4.539) 7.055 5.823 ( 9.006 0.000 -4.577) 10.102 5.836 ( -2.471 0.000 3.412) 4.213 5.923 ( -0.149 0.000 -1.880) 1.886 5.974 ( -6.399 0.000 2.697) 6.944 6.046 ( 4.662 0.000 -6.280) 7.821 6.050 ( -1.574 0.000 3.735) 4.054 6.091 ( 7.077 0.000 -1.197) 7.178 6.150 ( -2.105 0.000 1.320) 2.485 6.207 ( -7.470 0.000 -3.527) 8.261 6.368 ( -1.180 0.000 -0.440) 1.260 6.419 ( -1.252 0.000 -1.146) 1.698 6.435 ( -7.027 0.000 2.239) 7.375 6.561 ( 3.767 0.000 0.191) 3.772 6.575 ( 3.982 0.000 6.773) 7.857 6.646 ( -1.387 0.000 0.828) 1.615 6.668 ( -0.469 0.000 3.658) 3.688 7.018 ( 0.560 0.000 -1.682) 1.773 7.027 ( -2.209 0.000 3.388) 4.045 7.072 ( 8.082 0.000 -0.704) 8.113 7.132 ( -2.829 0.000 -0.239) 2.839 7.135 ( 2.356 0.000 -4.047) 4.683 7.176 ( 5.877 0.000 4.102) 7.166 7.341 ( -4.794 0.000 -2.756) 5.529 7.437 ( -3.342 0.000 1.009) 3.491 7.516 ( 5.246 0.000 -0.316) 5.256 7.683 ( 1.827 0.000 -1.233) 2.204 7.843 ( -6.939 0.000 -6.070) 9.219 7.852 ( -1.631 0.000 3.064) 3.471 7.859 ( 2.766 0.000 -2.651) 3.831 7.929 ( -0.002 0.000 1.904) 1.904 8.114 ( 0.901 0.000 -0.346) 0.966 8.176 ( 2.807 0.000 -0.653) 2.882 8.206 ( 0.821 0.000 2.459) 2.593 8.240 ( 1.541 0.000 -4.276) 4.545 8.357 ( -0.880 0.000 1.553) 1.785 8.363 ( -2.587 0.000 -1.078) 2.802 8.498 ( 2.687 0.000 0.208) 2.695 8.530 ( 2.407 0.000 -0.682) 2.501 8.578 ( -2.667 0.000 2.308) 3.527 8.655 ( -1.283 0.000 -2.704) 2.993 8.674 ( 0.626 0.000 0.668) 0.915 8.720 ( -1.008 0.000 -0.695) 1.225 9.368 ( 1.002 0.000 -0.384) 1.073 9.398 ( 0.867 0.000 -0.899) 1.249 9.441 ( -2.148 0.000 2.700) 3.451 9.478 ( -1.404 0.000 0.588) 1.522 9.681 ( -1.910 0.000 0.649) 2.017 9.746 ( -2.172 0.000 2.477) 3.294 9.803 ( 1.123 0.000 -0.372) 1.183 9.848 ( 0.255 0.000 -1.457) 1.479 9.910 ( -2.191 0.000 -1.135) 2.467 9.934 ( -1.085 0.000 2.394) 2.628 10.043 ( 0.481 0.000 0.342) 0.590 10.058 ( -0.017 0.000 -1.949) 1.950 10.801 ( 3.513 0.000 -0.651) 3.573 10.899 ( -1.236 0.000 2.166) 2.494 10.912 ( 4.594 0.000 -2.802) 5.381 10.977 ( 0.937 0.000 -1.355) 1.648 11.003 ( -2.095 0.000 -1.935) 2.852 11.070 ( -0.635 0.000 -1.579) 1.702 11.078 ( -0.015 0.000 2.705) 2.705 11.099 ( 0.026 0.000 1.943) 1.943 11.223 ( -6.416 0.000 -5.859) 8.689 11.234 ( 1.437 0.000 1.424) 2.023 11.394 ( 4.143 0.000 -2.542) 4.860 11.428 ( 9.041 0.000 10.241) 13.661 11.874 ( -0.812 0.000 0.635) 1.031 11.980 ( 0.186 0.000 0.197) 0.271 12.056 ( -0.091 0.000 1.651) 1.653 12.080 ( 0.890 0.000 -1.420) 1.676 13.971 ( 1.114 0.000 0.719) 1.326 13.996 ( 1.315 0.000 -0.607) 1.449 14.033 ( -2.081 0.000 1.089) 2.349 14.102 ( -0.887 0.000 -0.002) 0.887 14.627 ( 1.179 0.000 0.181) 1.193 14.693 ( 1.031 0.000 -2.355) 2.571 14.708 ( -0.139 0.000 2.128) 2.132 14.756 ( -0.837 0.000 -1.713) 1.907 14.841 ( -0.878 0.000 -0.378) 0.956 14.847 ( -0.196 0.000 1.286) 1.301 14.984 ( -4.531 0.000 0.604) 4.571 15.016 ( 0.443 0.000 -1.698) 1.755 15.240 ( 0.966 0.000 3.107) 3.253 15.420 ( 7.276 0.000 -0.083) 7.277 15.616 ( -3.428 0.000 -4.039) 5.298 15.784 ( 6.611 0.000 6.172) 9.045 16.385 ( -6.691 0.000 -4.937) 8.316 16.793 ( 9.899 0.000 5.308) 11.233 17.123 ( -0.779 0.000 5.226) 5.283 17.236 ( -8.547 0.000 -3.119) 9.098 17.556 ( 12.591 0.000 -0.309) 12.595 17.631 ( 2.906 0.000 -3.251) 4.361 17.913 ( -7.386 0.000 -2.095) 7.678 17.958 ( -0.573 0.000 -0.817) 0.998 18.043 ( -1.988 0.000 -4.289) 4.728 18.064 ( -0.441 0.000 0.811) 0.923 18.113 ( -0.510 0.000 -0.259) 0.572 18.318 ( 9.354 0.000 10.721) 14.228 18.642 ( -0.237 0.000 -1.217) 1.240 18.655 ( 0.177 0.000 0.170) 0.246 18.720 ( -0.308 0.000 -0.032) 0.309 18.724 ( 0.425 0.000 0.249) 0.492 21.604 ( -2.486 0.000 -2.750) 3.707 21.685 ( 2.226 0.000 0.850) 2.383 21.765 ( -3.061 0.000 1.336) 3.340 21.988 ( -4.531 0.000 4.530) 6.407 22.226 ( 6.362 0.000 -1.440) 6.523 22.324 ( 0.829 0.000 -0.684) 1.075 22.628 ( -3.433 0.000 -3.976) 5.253 22.698 ( 1.690 0.000 2.850) 3.314 22.855 ( -0.019 0.000 2.136) 2.136 22.875 ( -6.938 0.000 -10.721) 12.770 22.925 ( -3.159 0.000 1.436) 3.470 23.057 ( -2.152 0.000 -2.747) 3.489 23.232 ( 0.486 0.000 2.187) 2.240 23.342 ( 0.024 0.000 -1.242) 1.243 23.437 ( 4.723 0.000 5.982) 7.622 23.446 ( 1.430 0.000 -1.250) 1.900 ======================= Grid point 60 (24/66) ======================= q-point: ( 0.00 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -0.633 23.407 11.139) 25.930 0.769 ( 9.109 12.405 25.524) 29.805 1.209 ( 7.510 14.681 -7.127) 17.965 1.436 ( -6.433 35.713 11.687) 38.123 1.690 ( -0.531 8.544 -14.715) 17.024 1.729 ( -0.965 3.029 2.347) 3.951 1.843 ( -3.880 2.545 -4.696) 6.602 2.007 ( -5.082 10.623 -0.899) 11.811 2.069 ( -4.076 19.680 -1.032) 20.124 2.137 ( 2.288 16.952 3.032) 17.373 2.345 ( -4.127 10.797 -4.501) 12.404 2.404 ( 6.328 5.653 1.838) 8.682 2.499 ( 2.941 10.349 1.000) 10.805 2.573 ( 0.776 -0.204 3.262) 3.359 2.630 ( 3.050 1.776 0.963) 3.658 2.837 ( -0.482 0.172 2.320) 2.376 3.145 ( -3.502 -3.735 -7.106) 8.758 3.260 ( -0.634 -1.087 -4.204) 4.388 3.294 ( 1.249 -4.525 0.179) 4.697 3.345 ( 1.032 -1.726 -1.168) 2.326 3.449 ( 0.845 -3.754 1.140) 4.013 3.478 ( -3.664 -3.278 1.619) 5.176 3.687 ( -3.282 -2.966 3.443) 5.606 3.783 ( 1.601 -10.129 -0.418) 10.263 3.981 ( 0.728 -1.193 0.790) 1.606 4.037 ( -1.943 -4.069 0.180) 4.513 4.100 ( -0.215 -3.152 0.160) 3.164 4.137 ( -0.724 1.067 -1.312) 1.839 4.227 ( 4.563 -1.550 1.209) 4.968 4.345 ( -3.025 1.345 -3.001) 4.469 4.420 ( -1.159 -0.016 3.689) 3.867 4.578 ( -0.916 -6.347 -0.938) 6.481 4.647 ( 1.000 -1.055 1.332) 1.972 4.697 ( -3.465 -0.922 -1.685) 3.962 4.731 ( 0.675 -2.059 2.211) 3.096 4.786 ( 4.115 -3.450 -1.155) 5.492 4.960 ( 0.147 -2.992 4.346) 5.279 5.004 ( -1.124 1.114 4.048) 4.346 5.022 ( -1.116 3.185 4.278) 5.449 5.109 ( -3.609 0.039 -1.774) 4.021 5.149 ( 2.517 -2.594 -3.802) 5.246 5.269 ( -5.189 -0.455 -2.953) 5.988 5.304 ( 1.392 1.509 -2.753) 3.434 5.380 ( 4.223 -0.936 -0.908) 4.419 5.454 ( -0.488 -1.845 0.734) 2.044 5.476 ( 7.444 -3.617 2.748) 8.721 5.509 ( -0.007 -2.555 -6.635) 7.110 5.609 ( -1.332 3.838 2.333) 4.685 5.638 ( -0.681 -6.764 0.922) 6.860 5.658 ( 1.315 -0.797 -1.682) 2.279 5.782 ( -1.870 1.809 3.760) 4.572 5.809 ( -1.150 -4.845 0.018) 4.980 5.871 ( 2.483 -8.735 -1.060) 9.143 5.925 ( -2.472 -7.263 1.675) 7.853 6.013 ( 3.236 -0.157 -3.260) 4.596 6.057 ( -2.027 10.732 -3.768) 11.553 6.150 ( -4.520 2.835 3.307) 6.277 6.212 ( 1.264 1.583 -0.326) 2.052 6.244 ( -0.717 3.190 0.112) 3.271 6.279 ( -3.057 -5.160 0.711) 6.040 6.302 ( 1.536 0.893 2.889) 3.392 6.409 ( 1.940 4.455 -3.528) 6.004 6.592 ( 0.316 -0.816 1.002) 1.330 6.608 ( 1.276 -2.886 1.831) 3.648 6.634 ( 1.900 -4.327 6.600) 8.117 6.758 ( 2.854 0.850 -0.698) 3.058 6.893 ( -3.906 -0.145 5.083) 6.412 6.991 ( -2.586 0.426 1.839) 3.201 7.045 ( 0.165 0.761 1.555) 1.739 7.103 ( -5.080 2.036 -2.711) 6.107 7.125 ( -0.377 -4.848 -0.564) 4.895 7.230 ( 5.821 -1.894 -0.236) 6.125 7.290 ( 4.112 -1.769 1.464) 4.710 7.348 ( -2.752 -2.080 -1.388) 3.718 7.554 ( 0.426 -3.034 1.275) 3.318 7.620 ( -0.954 -6.092 0.102) 6.167 7.648 ( 0.096 -5.262 -0.550) 5.292 7.717 ( -0.625 -4.932 -1.810) 5.290 7.872 ( 1.376 -2.133 0.104) 2.541 7.926 ( -0.202 -3.402 0.035) 3.408 8.084 ( -0.005 -4.266 1.436) 4.501 8.129 ( -0.713 -3.292 -0.807) 3.464 8.213 ( 1.992 -3.650 1.448) 4.403 8.230 ( 0.047 -2.255 0.517) 2.314 8.285 ( -2.127 -5.985 -1.573) 6.544 8.348 ( 0.620 1.901 -1.328) 2.400 8.405 ( -1.508 -2.401 3.307) 4.356 8.503 ( 1.189 0.259 -1.861) 2.224 8.646 ( -1.002 5.316 2.179) 5.832 8.750 ( 1.793 5.566 -2.266) 6.271 8.775 ( -0.974 6.765 0.648) 6.865 8.801 ( 0.101 7.305 -0.368) 7.315 9.477 ( 0.968 2.963 -0.275) 3.129 9.496 ( -0.491 4.247 -0.746) 4.340 9.543 ( -1.982 3.107 1.816) 4.109 9.615 ( 0.694 -1.716 -0.242) 1.867 9.649 ( 2.171 -5.078 0.695) 5.566 9.693 ( -1.430 -1.384 0.928) 2.195 9.855 ( -1.502 -1.074 0.364) 1.882 9.908 ( 1.471 -1.362 -0.949) 2.217 10.057 ( 0.115 15.889 2.564) 16.095 10.188 ( -2.708 18.818 -0.800) 19.029 10.289 ( 1.003 21.216 0.512) 21.246 10.415 ( 4.115 -0.329 -6.520) 7.718 10.541 ( 0.678 -19.126 0.813) 19.156 10.606 ( 2.002 -18.937 -3.515) 19.364 10.757 ( -1.592 -12.276 4.600) 13.206 10.960 ( 1.686 2.990 0.947) 3.561 11.014 ( 1.226 -0.105 -4.498) 4.664 11.095 ( -0.903 0.326 -3.983) 4.096 11.111 ( -1.318 1.839 -0.919) 2.442 11.124 ( 1.534 1.647 -0.642) 2.341 11.237 ( 1.172 1.465 1.976) 2.725 11.293 ( -1.102 2.979 -0.744) 3.262 11.446 ( 0.542 7.070 5.551) 9.005 11.954 ( 1.226 6.761 1.963) 7.146 12.048 ( -1.366 7.411 -2.027) 7.804 12.143 ( -2.079 23.883 -21.731) 32.357 12.150 ( -0.727 17.257 -9.176) 19.558 12.207 ( -1.256 13.218 -10.516) 16.938 14.036 ( 0.718 4.695 0.799) 4.816 14.065 ( -0.481 5.815 -0.917) 5.907 14.167 ( 0.365 8.667 -0.794) 8.711 14.246 ( 0.989 11.072 -9.382) 14.546 14.686 ( 0.303 -0.377 -0.788) 0.925 14.699 ( 0.118 2.508 0.291) 2.527 14.749 ( 1.911 0.451 -0.592) 2.051 14.782 ( -0.895 6.118 -1.946) 6.482 14.900 ( 1.476 7.304 1.779) 7.661 14.927 ( -0.253 1.167 1.161) 1.666 14.997 ( -0.808 2.399 -1.200) 2.801 15.112 ( 1.553 16.318 -11.148) 19.823 15.335 ( 2.811 4.633 5.249) 7.544 15.501 ( -5.137 3.240 -2.130) 6.436 15.630 ( -12.810 3.031 0.866) 13.193 15.672 ( 0.061 4.820 -0.786) 4.884 16.540 ( 16.068 -8.467 11.383) 21.434 16.801 ( -6.541 -2.196 -4.140) 8.047 17.103 ( 0.180 -0.247 4.335) 4.346 17.297 ( 4.738 6.334 -3.875) 8.808 17.612 ( 0.231 -3.865 -2.310) 4.508 17.667 ( -5.538 -2.363 -2.854) 6.663 17.794 ( 10.774 -2.951 1.474) 11.267 17.903 ( -10.145 1.951 -4.826) 11.402 18.049 ( 1.683 1.001 2.276) 3.002 18.099 ( -0.672 3.780 -0.652) 3.894 18.149 ( 1.447 2.937 1.004) 3.425 18.324 ( -10.960 8.447 -15.448) 20.739 18.658 ( -0.223 0.577 -0.360) 0.716 18.689 ( 0.396 1.698 -1.398) 2.235 18.726 ( -1.770 1.867 -2.041) 3.284 18.744 ( -0.834 0.791 -0.503) 1.255 21.701 ( 2.605 -0.969 1.173) 3.017 21.725 ( -0.691 0.192 -0.415) 0.829 21.818 ( 16.629 -4.183 5.589) 18.035 21.890 ( -3.090 -0.391 -0.393) 3.139 22.235 ( -5.159 -3.741 5.278) 8.274 22.331 ( -0.088 -0.193 -0.913) 0.937 22.506 ( -2.194 -2.370 -0.762) 3.318 22.561 ( -3.648 -3.526 -1.509) 5.293 22.719 ( 4.382 -6.501 3.008) 8.397 22.789 ( -4.299 -4.746 -2.173) 6.763 22.923 ( 2.954 0.628 3.170) 4.379 23.037 ( -0.813 0.432 -2.230) 2.412 23.222 ( 1.096 -2.718 2.411) 3.795 23.269 ( -1.613 -8.721 8.796) 12.491 23.314 ( -0.425 -2.512 -0.520) 2.600 23.447 ( 0.240 -4.669 -1.305) 4.854 ======================= Grid point 61 (25/66) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 10.654 20.511 7.852) 24.410 1.079 ( 10.690 20.543 15.766) 28.015 1.383 ( 8.274 7.074 -15.062) 18.584 1.499 ( 4.942 6.236 -1.176) 8.043 1.580 ( 0.561 9.351 3.087) 9.864 1.662 ( -7.274 7.578 8.808) 13.708 1.690 ( -3.136 8.890 -8.126) 12.447 1.915 ( -7.610 15.920 5.391) 18.450 1.952 ( -4.402 17.602 -0.652) 18.156 2.158 ( -4.406 22.787 4.788) 23.698 2.264 ( -2.692 16.242 -5.086) 17.232 2.524 ( 3.728 -0.812 -1.754) 4.200 2.554 ( -0.975 3.540 5.830) 6.890 2.606 ( 5.034 5.415 -0.036) 7.393 2.662 ( 0.236 3.146 -1.314) 3.418 2.783 ( -4.767 3.595 -4.197) 7.298 3.028 ( -5.190 -2.809 -0.658) 5.938 3.215 ( -1.361 1.229 -2.908) 3.437 3.294 ( -0.575 -2.985 -1.358) 3.329 3.323 ( -0.804 -1.577 -2.029) 2.693 3.453 ( 0.061 -0.920 1.496) 1.757 3.520 ( 3.756 -4.323 0.191) 5.730 3.622 ( -3.275 -0.493 1.812) 3.776 3.811 ( -1.462 -6.759 -0.913) 6.976 3.902 ( -2.148 -3.395 1.398) 4.254 4.004 ( -3.435 -2.486 0.714) 4.300 4.063 ( -4.517 0.377 -0.002) 4.533 4.146 ( 2.173 -5.751 2.381) 6.593 4.285 ( 2.716 -1.552 -1.562) 3.496 4.382 ( 4.549 0.969 -2.063) 5.088 4.477 ( 4.770 1.928 6.432) 8.236 4.562 ( 0.884 -6.405 -4.153) 7.685 4.601 ( -5.781 -4.554 0.296) 7.366 4.685 ( 0.622 -0.783 1.695) 1.968 4.765 ( 2.044 -5.281 0.656) 5.700 4.852 ( 3.172 -1.990 -0.060) 3.745 4.932 ( -3.108 -3.965 -1.098) 5.156 5.034 ( -3.531 0.341 1.663) 3.918 5.049 ( 1.585 1.867 -0.697) 2.546 5.076 ( 1.949 -1.429 0.474) 2.463 5.146 ( 2.049 1.812 4.180) 4.996 5.246 ( 4.332 0.379 4.538) 6.286 5.310 ( 0.186 -0.478 -2.597) 2.647 5.406 ( -0.656 -3.667 -0.783) 3.807 5.429 ( -1.589 -0.376 -2.846) 3.281 5.460 ( -0.263 -1.207 -5.788) 5.918 5.529 ( -1.893 -0.096 -0.539) 1.971 5.659 ( -0.684 -4.548 -1.640) 4.883 5.678 ( 4.349 -2.611 -2.588) 5.695 5.697 ( 5.844 -5.760 -0.650) 8.231 5.763 ( -4.639 4.162 7.104) 9.450 5.806 ( 1.450 -0.077 -0.719) 1.620 5.864 ( -2.760 -3.301 2.224) 4.843 5.953 ( 2.278 -4.201 -1.817) 5.113 5.997 ( 0.176 2.830 -4.516) 5.332 6.044 ( 0.880 -1.012 -3.291) 3.554 6.115 ( -0.292 4.208 2.542) 4.925 6.184 ( -1.457 0.005 2.589) 2.971 6.236 ( -2.038 1.974 3.963) 4.874 6.296 ( 3.446 -5.056 0.078) 6.119 6.377 ( 5.129 0.303 -0.353) 5.150 6.440 ( 2.041 2.340 -0.108) 3.107 6.602 ( -2.885 1.857 -0.568) 3.478 6.610 ( 0.154 1.887 1.907) 2.687 6.636 ( 1.211 -5.278 -0.155) 5.418 6.796 ( -4.375 0.934 -0.894) 4.562 6.894 ( 2.699 -4.655 6.471) 8.416 6.941 ( -1.186 0.084 3.211) 3.424 7.031 ( -0.216 -2.450 -0.909) 2.622 7.060 ( -0.098 -0.923 1.047) 1.399 7.170 ( 3.367 1.087 -1.002) 3.677 7.218 ( -5.425 -0.911 -5.425) 7.726 7.315 ( -0.069 -0.607 -0.554) 0.825 7.410 ( 5.321 -5.603 1.728) 7.917 7.520 ( -4.680 -3.043 2.018) 5.936 7.584 ( -0.625 -2.471 -1.725) 3.078 7.660 ( 1.728 -7.316 0.095) 7.518 7.768 ( 4.814 -7.159 -0.036) 8.628 7.883 ( -0.619 -2.832 0.621) 2.964 7.911 ( -0.866 -4.671 -1.429) 4.961 8.070 ( -1.531 -2.623 1.240) 3.280 8.117 ( -0.684 -1.872 -0.174) 2.001 8.201 ( -2.811 -1.551 -1.744) 3.653 8.239 ( 0.076 -5.210 1.001) 5.305 8.269 ( 0.779 -4.271 2.152) 4.846 8.342 ( -0.736 1.754 -0.827) 2.074 8.390 ( -0.782 -4.118 0.997) 4.309 8.491 ( -1.367 -0.465 -1.406) 2.015 8.657 ( 0.960 5.910 1.928) 6.291 8.746 ( -1.361 5.439 0.628) 5.641 8.788 ( 2.507 5.896 -2.480) 6.870 8.811 ( 0.696 7.826 -0.008) 7.857 9.482 ( -0.228 3.978 -0.628) 4.034 9.487 ( -0.532 5.197 -0.679) 5.268 9.524 ( -0.243 -0.475 1.655) 1.738 9.635 ( 0.835 0.139 -0.205) 0.871 9.669 ( 0.050 -3.088 -0.289) 3.101 9.716 ( 3.190 -3.676 3.195) 5.822 9.812 ( -2.385 -2.780 -0.747) 3.738 9.953 ( 2.435 -1.257 -0.904) 2.886 10.080 ( 0.103 17.538 1.416) 17.596 10.122 ( -2.097 18.385 0.693) 18.517 10.300 ( 0.243 20.021 -0.633) 20.032 10.472 ( 4.400 -4.385 -5.488) 8.289 10.570 ( 1.930 -17.334 -0.866) 17.463 10.629 ( 1.680 -18.237 -1.231) 18.356 10.729 ( -2.375 -14.639 3.494) 15.237 10.919 ( -14.660 14.135 -10.895) 23.096 11.000 ( -0.461 4.674 0.884) 4.779 11.026 ( 1.505 2.287 0.511) 2.785 11.096 ( 0.568 0.213 -1.657) 1.764 11.157 ( 1.126 0.723 -1.035) 1.692 11.254 ( 0.563 6.954 0.371) 6.987 11.289 ( 0.443 1.493 1.471) 2.142 11.443 ( -4.498 10.818 5.734) 13.044 11.711 ( -14.823 38.314 -14.926) 43.709 12.005 ( 2.494 6.297 2.550) 7.237 12.022 ( -0.145 7.546 -2.258) 7.878 12.122 ( -2.346 9.145 -0.044) 9.442 12.206 ( 0.529 8.834 -0.564) 8.868 14.042 ( -0.762 6.047 -0.048) 6.095 14.054 ( -0.174 5.298 -0.108) 5.302 14.144 ( -1.541 9.725 -1.903) 10.029 14.213 ( -0.063 9.236 -2.133) 9.479 14.649 ( -2.336 -0.702 0.508) 2.491 14.725 ( 0.547 4.554 -0.897) 4.674 14.770 ( 1.540 2.258 -1.313) 3.032 14.773 ( 0.583 1.784 -1.790) 2.593 14.944 ( 0.204 4.947 -0.962) 5.044 14.953 ( 3.180 4.731 1.329) 5.853 14.983 ( -0.360 9.363 0.806) 9.404 15.019 ( -3.737 5.316 -1.740) 6.727 15.365 ( -5.222 2.879 0.259) 5.969 15.415 ( 0.012 4.355 3.738) 5.739 15.454 ( -1.867 5.737 2.929) 6.707 15.768 ( 3.942 4.947 2.084) 6.660 16.533 ( -9.427 -3.024 -4.881) 11.038 16.921 ( 8.249 -7.527 2.462) 11.435 17.059 ( -3.116 -2.914 2.259) 4.828 17.335 ( -3.132 3.186 2.452) 5.096 17.458 ( -5.223 0.560 -6.913) 8.682 17.596 ( -10.438 4.086 -3.224) 11.664 17.723 ( 4.768 -1.541 2.182) 5.465 17.953 ( 3.973 1.158 0.399) 4.158 18.070 ( -0.517 2.633 -0.805) 2.802 18.107 ( 1.433 2.414 0.624) 2.876 18.162 ( -1.757 7.601 -2.886) 8.318 18.217 ( 4.192 -0.582 4.193) 5.958 18.638 ( -2.823 0.589 -0.376) 2.908 18.658 ( 0.000 0.272 0.559) 0.622 18.719 ( -0.220 -0.356 -0.187) 0.458 18.746 ( 0.576 1.142 0.286) 1.310 21.663 ( -3.506 0.821 -1.057) 3.753 21.724 ( 0.441 0.102 -0.918) 1.023 21.840 ( 1.215 -1.393 -2.265) 2.924 22.104 ( -8.743 -3.680 7.377) 12.017 22.192 ( 10.625 -2.567 -5.273) 12.136 22.306 ( -2.781 1.017 -1.072) 3.149 22.424 ( 2.097 -5.491 1.594) 6.090 22.613 ( 3.276 -6.986 1.652) 7.891 22.723 ( -1.585 -6.288 -2.278) 6.874 22.843 ( 4.252 -5.226 1.800) 6.974 23.000 ( 3.544 1.574 -1.719) 4.242 23.033 ( 2.349 -0.339 -1.856) 3.013 23.225 ( -1.365 -3.596 2.031) 4.350 23.287 ( -0.604 -5.395 4.943) 7.342 23.315 ( 0.441 -2.602 0.348) 2.662 23.441 ( -0.175 -4.387 -0.881) 4.478 ======================= Grid point 62 (26/66) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 13.921 11.725 6.096) 19.195 1.254 ( -3.946 13.055 -2.484) 13.863 1.289 ( -2.048 5.910 -10.371) 12.111 1.450 ( -1.075 10.154 8.978) 13.597 1.549 ( -4.382 12.002 -0.617) 12.792 1.694 ( -13.352 19.347 4.275) 23.893 1.722 ( 15.675 -4.877 -9.959) 19.201 1.849 ( 1.667 15.240 0.565) 15.341 1.974 ( -6.303 20.266 -0.041) 21.224 2.095 ( 7.755 13.762 9.958) 18.673 2.239 ( 2.528 15.299 2.469) 15.702 2.405 ( -12.846 9.997 1.867) 16.384 2.581 ( 0.180 2.707 -2.738) 3.854 2.606 ( -4.066 4.790 3.973) 7.434 2.672 ( 1.125 2.581 -0.306) 2.832 2.781 ( 5.215 5.250 -6.844) 10.080 2.988 ( 1.373 -1.184 2.081) 2.760 3.176 ( -1.238 0.477 -2.977) 3.259 3.260 ( -2.399 0.047 -1.500) 2.830 3.322 ( 1.429 -2.232 -4.852) 5.528 3.468 ( 0.991 -0.328 1.004) 1.448 3.549 ( 0.056 -3.418 3.298) 4.750 3.628 ( 1.957 -1.350 0.065) 2.379 3.745 ( -3.081 -4.994 -1.121) 5.974 3.879 ( -0.721 -1.285 0.568) 1.579 3.956 ( -3.213 -0.923 1.410) 3.629 4.024 ( -1.196 -2.467 4.455) 5.231 4.211 ( 5.799 -7.532 -0.887) 9.547 4.329 ( 1.391 -3.304 -2.098) 4.154 4.436 ( 2.567 -0.361 -4.178) 4.917 4.473 ( -5.936 -5.535 3.834) 8.976 4.582 ( 2.094 -6.012 -2.738) 6.930 4.602 ( 2.359 -0.990 1.412) 2.922 4.656 ( -4.167 1.435 1.345) 4.608 4.771 ( 1.149 -5.429 -1.777) 5.827 4.876 ( -1.913 -5.650 -2.139) 6.337 4.914 ( 1.268 -0.386 3.755) 3.982 4.996 ( 1.416 -1.456 3.454) 4.007 5.061 ( 2.939 -0.488 2.013) 3.595 5.148 ( -1.373 0.598 -2.329) 2.769 5.252 ( 4.180 0.724 3.433) 5.457 5.269 ( -0.342 -2.174 -1.764) 2.820 5.309 ( -1.972 -2.201 1.716) 3.418 5.399 ( 1.042 -1.254 -1.677) 2.339 5.419 ( 0.009 0.274 5.943) 5.950 5.466 ( 3.763 -2.070 -5.925) 7.318 5.514 ( 1.175 0.103 -5.766) 5.886 5.617 ( 0.245 -5.870 -4.046) 7.133 5.629 ( -10.631 4.093 5.313) 12.570 5.728 ( 2.410 0.056 -4.644) 5.232 5.789 ( -0.490 0.470 2.085) 2.192 5.804 ( 1.815 2.833 -3.519) 4.869 5.821 ( -0.530 -2.905 1.690) 3.402 5.935 ( -0.052 -1.803 -1.824) 2.565 6.035 ( 0.879 -1.777 -1.020) 2.229 6.065 ( 1.172 1.222 0.662) 1.818 6.103 ( -0.647 -0.691 0.827) 1.257 6.201 ( 0.376 2.411 3.591) 4.342 6.236 ( -0.019 -3.671 4.162) 5.550 6.377 ( 3.310 -5.865 0.194) 6.738 6.416 ( -0.586 0.544 1.773) 1.945 6.490 ( 1.487 -2.410 1.014) 3.007 6.566 ( 0.409 -2.603 0.992) 2.815 6.592 ( -0.437 4.199 -3.757) 5.651 6.701 ( -3.746 1.186 -1.647) 4.261 6.732 ( 7.155 -3.144 -1.511) 7.960 6.879 ( -4.396 0.954 3.107) 5.466 6.927 ( -6.687 -1.323 0.143) 6.818 7.037 ( -0.221 -9.309 1.775) 9.480 7.066 ( 5.126 2.121 -0.358) 5.559 7.156 ( 0.071 6.701 0.708) 6.739 7.206 ( 0.238 2.898 0.392) 2.934 7.299 ( -3.320 -1.131 -3.254) 4.785 7.384 ( -0.731 -4.976 1.895) 5.374 7.546 ( 4.350 -4.834 -2.315) 6.903 7.550 ( -2.982 -5.443 -2.135) 6.563 7.734 ( 3.982 -7.938 2.325) 9.180 7.808 ( 0.391 -1.607 -0.616) 1.765 7.849 ( -3.398 -2.491 2.084) 4.701 7.918 ( 1.659 -5.747 -1.893) 6.274 8.064 ( -0.285 -3.135 2.449) 3.988 8.100 ( 0.250 -1.402 -0.878) 1.673 8.142 ( -1.813 0.691 -1.259) 2.313 8.237 ( -1.184 -7.026 0.431) 7.138 8.300 ( 1.321 -4.058 2.363) 4.878 8.329 ( -0.565 -2.762 0.189) 2.825 8.377 ( -0.404 -1.163 -0.667) 1.400 8.454 ( -1.536 -1.435 -1.309) 2.476 8.687 ( 1.198 5.466 1.556) 5.808 8.728 ( -0.933 4.754 0.739) 4.901 8.809 ( 0.185 7.213 -1.121) 7.302 8.828 ( 1.471 7.465 -1.774) 7.812 9.462 ( -1.035 3.610 -0.105) 3.757 9.488 ( 0.960 3.913 -1.718) 4.381 9.539 ( 0.534 -0.359 2.309) 2.397 9.628 ( -1.001 0.431 -0.516) 1.206 9.683 ( 0.624 -2.714 1.023) 2.967 9.761 ( -2.409 -4.087 -1.706) 5.042 9.800 ( 3.425 -2.860 3.448) 5.639 9.972 ( 0.194 0.877 -1.734) 1.953 10.051 ( -0.991 19.262 1.894) 19.380 10.166 ( 3.567 18.024 1.548) 18.438 10.295 ( -0.121 22.944 -3.211) 23.168 10.509 ( -15.404 27.801 -6.227) 32.388 10.520 ( 3.329 -8.966 -6.181) 11.388 10.598 ( 1.272 -17.465 -1.030) 17.542 10.646 ( -3.486 -18.166 3.354) 18.799 10.750 ( 4.846 -13.313 -1.407) 14.237 10.995 ( -0.911 5.251 2.950) 6.092 11.066 ( 1.948 -1.557 -1.381) 2.851 11.131 ( 1.458 1.482 5.272) 5.667 11.173 ( 2.407 3.242 -0.221) 4.044 11.267 ( -2.092 10.464 -0.357) 10.677 11.309 ( 2.966 6.401 0.870) 7.108 11.366 ( -3.611 8.387 2.254) 9.405 11.545 ( -3.674 11.312 -2.708) 12.198 12.026 ( 1.307 7.932 -1.102) 8.114 12.068 ( -1.706 8.447 1.060) 8.683 12.069 ( 1.465 7.377 1.112) 7.603 12.203 ( -0.437 8.360 -1.202) 8.457 14.024 ( -0.869 6.795 0.142) 6.851 14.045 ( -0.161 6.113 -0.748) 6.160 14.137 ( 0.654 7.379 0.697) 7.441 14.206 ( -0.399 7.525 -0.923) 7.592 14.618 ( -1.136 0.117 1.012) 1.526 14.715 ( -0.179 2.215 -2.894) 3.649 14.768 ( -0.395 5.265 -0.219) 5.285 14.805 ( 1.881 1.017 -0.677) 2.244 14.921 ( -0.364 8.410 0.083) 8.418 14.967 ( -1.327 2.978 1.693) 3.674 14.999 ( -0.392 7.846 1.069) 7.928 15.032 ( 3.135 -1.613 -1.135) 3.703 15.302 ( -1.044 4.566 -1.516) 4.923 15.351 ( -3.095 5.438 -1.725) 6.491 15.543 ( 3.893 5.112 8.802) 10.898 15.805 ( -0.923 5.396 0.918) 5.551 16.425 ( 0.973 -2.158 -0.528) 2.426 16.835 ( -8.435 3.051 -8.226) 12.171 17.115 ( -0.674 -3.863 9.824) 10.578 17.285 ( 1.072 -3.580 -1.470) 4.016 17.403 ( -1.146 -0.246 -0.708) 1.369 17.502 ( 0.466 -0.878 -5.557) 5.646 17.835 ( 4.354 -2.238 7.285) 8.777 17.995 ( 1.170 3.413 0.550) 3.649 18.063 ( 0.690 3.210 -1.633) 3.667 18.125 ( 0.305 5.401 1.552) 5.628 18.145 ( 0.382 3.342 -2.243) 4.043 18.263 ( -2.048 -5.335 0.989) 5.800 18.600 ( -0.551 -0.534 0.491) 0.911 18.657 ( -0.591 -0.032 -0.327) 0.676 18.718 ( 0.512 0.093 0.549) 0.757 18.755 ( 0.012 1.565 0.147) 1.572 21.622 ( -0.167 1.167 -0.396) 1.244 21.722 ( 0.040 0.143 -3.172) 3.176 21.876 ( 2.427 -1.747 -0.026) 2.991 21.964 ( -6.819 0.170 2.553) 7.283 22.236 ( -2.635 0.626 1.929) 3.325 22.290 ( 2.302 0.256 -3.916) 4.550 22.511 ( 4.120 -6.029 1.357) 7.427 22.680 ( -1.786 -7.480 -1.114) 7.770 22.692 ( 3.499 -9.041 1.017) 9.748 22.874 ( -1.058 -5.431 0.222) 5.537 23.027 ( 2.000 0.605 -2.861) 3.543 23.097 ( 2.834 -0.240 -2.177) 3.582 23.203 ( -1.621 -3.639 3.127) 5.065 23.291 ( -0.933 -3.310 4.403) 5.586 23.324 ( 0.665 -1.663 -1.818) 2.552 23.429 ( -0.664 -3.622 -1.177) 3.865 ======================= Grid point 63 (27/66) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -17.916 9.344 0.338) 20.209 1.214 ( -19.886 7.251 3.462) 21.448 1.316 ( -2.362 10.650 -3.615) 11.492 1.425 ( 3.597 5.462 -5.547) 8.576 1.510 ( 14.417 6.579 3.859) 16.310 1.752 ( 10.159 24.156 1.583) 26.253 1.824 ( -0.893 27.404 -7.499) 28.425 1.867 ( -4.898 11.581 10.482) 16.371 2.014 ( 16.686 3.023 -8.488) 18.963 2.081 ( -13.189 19.962 10.059) 25.954 2.204 ( 0.220 10.359 2.917) 10.764 2.416 ( 2.419 6.980 0.086) 7.388 2.544 ( -4.064 5.917 1.491) 7.331 2.598 ( 1.871 3.332 3.066) 4.900 2.662 ( -1.857 0.874 -1.071) 2.315 2.810 ( 2.074 1.827 -5.128) 5.825 3.084 ( 5.704 0.593 3.261) 6.598 3.156 ( 1.318 -1.252 -4.589) 4.935 3.215 ( -0.251 -0.022 -2.545) 2.557 3.316 ( 0.807 -0.620 -5.783) 5.871 3.503 ( 1.656 -3.349 2.296) 4.385 3.578 ( 0.539 -4.155 -0.115) 4.191 3.639 ( -0.831 -1.512 3.191) 3.628 3.724 ( 1.859 -5.079 -0.858) 5.476 3.911 ( 0.076 0.444 0.705) 0.836 3.913 ( 1.780 -4.417 1.728) 5.066 4.030 ( 0.310 0.253 3.175) 3.200 4.249 ( -5.385 -9.557 -1.256) 11.041 4.359 ( 4.052 -1.395 -0.121) 4.287 4.398 ( 0.537 -3.946 -4.677) 6.142 4.459 ( -2.162 -2.258 2.483) 3.992 4.543 ( -3.465 -1.218 1.415) 3.936 4.588 ( 0.286 -3.318 -1.666) 3.724 4.660 ( 3.348 -0.694 -0.525) 3.460 4.796 ( -1.835 -3.469 -0.968) 4.042 4.876 ( 1.114 -5.642 1.303) 5.897 4.927 ( -0.516 -0.747 3.939) 4.042 5.066 ( -0.191 0.843 -2.217) 2.379 5.071 ( 0.548 -2.432 2.246) 3.356 5.140 ( 0.756 -0.025 3.821) 3.895 5.197 ( -0.592 -3.353 -3.387) 4.802 5.246 ( -2.700 -3.234 2.503) 4.901 5.345 ( -7.848 2.168 4.792) 9.448 5.371 ( -1.235 -0.617 -1.291) 1.889 5.386 ( -3.025 5.884 -3.855) 7.657 5.455 ( 0.551 -2.706 -0.981) 2.930 5.522 ( 2.436 -1.949 -2.745) 4.156 5.572 ( 2.633 -2.542 -4.330) 5.670 5.621 ( 1.350 -1.285 -2.054) 2.773 5.715 ( -0.540 3.379 1.286) 3.655 5.789 ( 2.044 -4.148 -0.538) 4.656 5.847 ( 1.974 -5.757 2.551) 6.599 5.910 ( 4.708 -0.185 -4.321) 6.393 5.924 ( 0.588 -0.862 -1.287) 1.657 6.010 ( -4.089 -0.244 -0.156) 4.099 6.061 ( 2.495 5.487 2.407) 6.491 6.130 ( -0.473 2.376 1.604) 2.905 6.204 ( -0.788 -0.740 2.208) 2.458 6.247 ( -0.270 -8.153 2.408) 8.506 6.381 ( -2.620 -0.620 0.769) 2.800 6.388 ( -2.574 -2.156 2.059) 3.939 6.494 ( -4.999 -2.411 2.791) 6.212 6.546 ( -1.074 0.380 -1.982) 2.286 6.605 ( 2.823 -0.728 -1.458) 3.260 6.625 ( -4.778 0.132 -2.095) 5.219 6.734 ( 0.473 2.540 -1.077) 2.799 6.859 ( -1.504 -2.922 -0.165) 3.291 6.953 ( 8.346 -0.717 1.500) 8.510 7.047 ( -0.253 -3.167 2.029) 3.769 7.120 ( -1.974 1.884 2.188) 3.498 7.150 ( 0.199 6.053 0.555) 6.081 7.161 ( -1.977 0.489 -2.691) 3.375 7.319 ( 5.396 -4.480 2.332) 7.390 7.413 ( 1.352 -2.999 -1.339) 3.552 7.462 ( -4.155 -4.492 -3.495) 7.047 7.594 ( 2.074 -4.576 -2.575) 5.646 7.771 ( 0.190 -3.986 2.455) 4.686 7.784 ( -4.497 -6.276 2.657) 8.165 7.840 ( 0.576 -3.536 -1.147) 3.762 7.917 ( 0.330 -1.127 -1.210) 1.686 8.058 ( -0.316 -5.022 0.932) 5.117 8.123 ( 1.744 -1.906 -1.941) 3.231 8.153 ( 1.141 -0.150 3.037) 3.248 8.200 ( -1.323 -6.781 -1.101) 6.997 8.314 ( 0.107 -3.168 -0.581) 3.223 8.347 ( 1.362 -3.797 3.591) 5.401 8.376 ( 0.256 0.085 -0.922) 0.960 8.435 ( 0.726 -2.502 -1.886) 3.217 8.700 ( -1.316 5.033 1.672) 5.465 8.724 ( 0.642 4.658 0.716) 4.757 8.794 ( -0.945 7.526 -1.566) 7.745 8.836 ( 0.102 7.699 -1.513) 7.846 9.451 ( 0.060 2.310 -0.485) 2.361 9.502 ( 0.970 4.504 -0.927) 4.700 9.560 ( 0.377 0.277 2.680) 2.720 9.605 ( -0.747 0.231 -1.047) 1.307 9.677 ( -2.156 -4.027 0.487) 4.594 9.722 ( -0.624 -2.996 -0.188) 3.066 9.848 ( -0.046 -0.215 2.766) 2.775 9.964 ( 0.036 0.250 -2.150) 2.164 10.083 ( 2.827 19.256 3.472) 19.770 10.162 ( -6.053 19.816 -0.569) 20.728 10.282 ( 2.426 24.154 -2.144) 24.370 10.348 ( 0.507 22.186 -6.244) 23.053 10.552 ( 2.357 -16.963 -3.432) 17.467 10.585 ( -3.372 -20.510 3.250) 21.038 10.640 ( 2.977 -17.966 -1.224) 18.252 10.858 ( 7.132 -6.507 -4.150) 10.508 10.987 ( -1.023 2.876 1.202) 3.281 11.079 ( 0.589 -1.514 -1.099) 1.961 11.165 ( -2.943 8.153 3.161) 9.226 11.215 ( 0.520 4.239 2.569) 4.984 11.253 ( 2.020 4.928 2.141) 5.740 11.323 ( 0.435 3.537 -1.968) 4.071 11.340 ( -2.976 4.685 1.909) 5.870 11.577 ( 12.264 19.475 -1.883) 23.092 12.013 ( -2.243 9.457 -0.578) 9.736 12.055 ( 1.738 8.203 0.275) 8.389 12.124 ( 1.665 7.552 2.188) 8.037 12.183 ( -0.567 8.170 -2.208) 8.482 14.017 ( 0.007 6.077 0.157) 6.079 14.048 ( 0.833 6.514 -0.700) 6.605 14.158 ( 1.042 8.346 0.645) 8.436 14.190 ( -0.528 7.163 -0.907) 7.239 14.618 ( 0.590 0.722 1.132) 1.467 14.703 ( 0.468 0.926 -3.117) 3.286 14.755 ( -1.067 4.259 0.356) 4.405 14.825 ( 0.483 3.170 -0.670) 3.276 14.929 ( -1.962 7.652 -0.573) 7.921 14.949 ( 1.485 7.976 1.364) 8.227 14.991 ( -0.257 3.231 0.826) 3.345 15.046 ( -1.037 -1.649 -0.384) 1.986 15.294 ( -1.618 5.629 -1.761) 6.116 15.343 ( 5.383 4.927 -0.195) 7.300 15.662 ( 4.319 3.924 10.657) 12.150 15.757 ( -3.230 5.155 -2.327) 6.513 16.527 ( 2.544 -2.117 2.386) 4.080 16.650 ( -1.605 3.191 -8.517) 9.236 17.114 ( -2.271 0.046 5.926) 6.347 17.321 ( -0.551 -6.241 0.551) 6.290 17.379 ( 2.389 1.162 -1.953) 3.297 17.535 ( 4.419 -3.007 -4.598) 7.051 17.929 ( 1.473 -1.866 7.112) 7.499 18.005 ( -0.563 2.991 0.489) 3.083 18.086 ( 0.397 1.639 -0.662) 1.812 18.122 ( -2.070 -1.676 -4.411) 5.153 18.138 ( -1.908 1.008 1.927) 2.893 18.218 ( 4.001 6.624 1.298) 7.847 18.618 ( 1.245 -1.312 1.140) 2.138 18.639 ( -0.478 -0.953 -0.949) 1.427 18.738 ( 0.615 1.243 0.983) 1.700 18.747 ( -0.396 1.417 -0.245) 1.492 21.645 ( 2.038 0.981 0.988) 2.468 21.686 ( -1.894 0.126 -5.702) 6.009 21.835 ( -5.197 -0.541 2.171) 5.658 21.968 ( 3.530 -0.624 1.566) 3.912 22.194 ( -1.657 0.914 0.212) 1.904 22.313 ( 1.429 0.357 -1.667) 2.225 22.581 ( 2.522 -5.449 2.330) 6.441 22.611 ( -4.234 -10.205 -2.358) 11.297 22.770 ( 3.220 -5.958 3.207) 7.493 22.825 ( -3.089 -6.329 -3.061) 7.679 23.043 ( -0.371 0.686 -1.953) 2.103 23.091 ( -0.840 -2.275 -2.799) 3.704 23.195 ( -1.727 -1.500 3.616) 4.278 23.300 ( -0.999 -4.323 5.063) 6.732 23.323 ( 0.635 -2.040 -1.675) 2.714 23.414 ( 0.191 -3.017 -1.874) 3.557 ======================= Grid point 64 (28/66) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -10.047 14.427 11.425) 20.966 0.834 ( -18.890 13.287 11.080) 25.616 1.204 ( -2.211 10.443 -9.612) 14.364 1.550 ( 1.845 18.428 -0.211) 18.522 1.679 ( -8.345 23.002 10.604) 26.668 1.765 ( -0.475 23.350 -10.414) 25.571 1.794 ( 10.214 0.583 0.690) 10.254 1.952 ( 7.036 20.950 2.284) 22.218 2.054 ( 2.351 7.050 5.269) 9.110 2.175 ( 1.813 17.825 -1.328) 17.966 2.329 ( 3.764 3.028 -0.349) 4.843 2.391 ( 3.354 -4.410 4.943) 7.425 2.458 ( -3.397 11.039 -2.050) 11.731 2.562 ( -5.239 3.480 -3.280) 7.093 2.629 ( -1.060 2.642 0.228) 2.855 2.827 ( 0.960 2.138 -1.729) 2.913 3.178 ( 3.241 -3.048 -6.320) 7.730 3.214 ( 5.366 -2.966 2.897) 6.782 3.237 ( 3.345 -1.804 -3.048) 4.872 3.319 ( 1.664 -0.391 -2.586) 3.099 3.509 ( -4.331 -3.244 -0.218) 5.416 3.531 ( -1.969 -4.303 0.495) 4.758 3.676 ( 1.881 -4.134 3.333) 5.633 3.777 ( 2.094 -7.145 -0.473) 7.461 3.896 ( 1.282 -6.017 1.281) 6.284 4.025 ( 6.489 -0.103 1.333) 6.625 4.060 ( 2.216 1.122 -0.047) 2.485 4.152 ( -3.769 -4.289 0.443) 5.727 4.272 ( -6.310 1.011 -1.462) 6.556 4.403 ( -3.129 -2.151 1.123) 3.960 4.462 ( -0.124 -4.092 0.482) 4.122 4.571 ( 1.575 -4.432 -0.114) 4.705 4.609 ( 4.292 -1.772 1.404) 4.851 4.696 ( -0.840 -2.709 1.967) 3.451 4.744 ( -1.813 -3.099 0.047) 3.591 4.820 ( -5.031 -1.595 -2.236) 5.732 4.938 ( -0.276 -0.367 3.651) 3.680 5.003 ( -2.065 2.852 0.411) 3.545 5.100 ( 1.652 -5.543 -3.164) 6.592 5.143 ( -9.327 1.943 4.705) 10.626 5.187 ( -2.688 1.462 -0.861) 3.178 5.243 ( 6.291 -1.174 1.569) 6.589 5.269 ( 4.852 -1.025 0.645) 5.001 5.327 ( 0.411 -0.114 -4.885) 4.903 5.417 ( -1.997 -2.346 -3.462) 4.634 5.429 ( 2.414 -1.282 1.789) 3.267 5.521 ( 0.450 0.376 -3.194) 3.248 5.620 ( -0.421 1.221 1.215) 1.774 5.632 ( 2.280 -2.115 0.623) 3.172 5.729 ( -3.908 -1.865 -1.705) 4.654 5.788 ( -0.164 -7.255 1.486) 7.407 5.843 ( -2.975 -1.045 0.819) 3.258 5.887 ( -1.862 -5.880 -2.779) 6.765 5.926 ( 0.082 -6.352 2.110) 6.694 5.994 ( 1.083 -0.130 -2.865) 3.065 6.097 ( -0.775 8.000 -2.927) 8.553 6.163 ( 3.988 2.462 2.046) 5.114 6.215 ( 1.379 1.859 2.222) 3.209 6.234 ( -3.834 0.355 -1.463) 4.119 6.285 ( -2.508 -2.755 5.159) 6.363 6.383 ( -5.906 -2.568 2.674) 6.973 6.403 ( 0.230 1.786 -2.739) 3.278 6.542 ( 1.428 -3.306 2.412) 4.334 6.563 ( 0.178 0.526 2.144) 2.215 6.644 ( -3.414 0.119 -1.439) 3.706 6.722 ( 3.248 4.387 -0.850) 5.524 6.894 ( 1.527 -5.760 4.323) 7.362 7.034 ( -0.675 1.130 -0.736) 1.508 7.046 ( -3.141 0.047 1.285) 3.394 7.100 ( 4.703 -0.414 2.581) 5.381 7.140 ( -0.726 -3.158 -3.423) 4.713 7.188 ( 2.377 1.804 2.643) 3.987 7.305 ( -5.377 -0.851 -4.453) 7.033 7.396 ( -1.984 -3.642 0.381) 4.164 7.495 ( 5.005 -2.760 1.612) 5.939 7.622 ( 1.909 -6.192 0.038) 6.479 7.674 ( -5.373 -6.941 -1.537) 8.911 7.770 ( -2.692 -5.525 0.730) 6.189 7.840 ( 1.643 -0.592 -0.781) 1.913 7.926 ( 0.154 -1.691 0.031) 1.698 8.068 ( 0.728 -4.965 0.906) 5.099 8.139 ( 0.337 -4.027 -0.751) 4.110 8.171 ( 1.484 -2.677 0.413) 3.089 8.212 ( 1.265 -1.748 1.150) 2.445 8.312 ( -0.069 -6.566 -1.543) 6.745 8.360 ( -1.315 0.769 -0.199) 1.536 8.392 ( 1.233 -1.126 3.355) 3.747 8.469 ( 3.004 -1.296 -2.154) 3.917 8.670 ( -2.292 5.209 2.145) 6.082 8.737 ( 0.384 4.897 -0.176) 4.915 8.776 ( 0.247 7.345 -1.524) 7.505 8.820 ( -1.199 7.477 -0.556) 7.593 9.459 ( 0.997 2.096 -0.651) 2.411 9.507 ( -0.221 5.048 -0.186) 5.056 9.562 ( -1.178 3.965 2.470) 4.818 9.611 ( 1.642 -4.026 -0.559) 4.384 9.631 ( -1.938 -4.357 -0.823) 4.839 9.715 ( -1.111 -1.270 1.649) 2.360 9.849 ( 0.120 0.536 1.185) 1.306 9.937 ( -2.076 -1.571 -1.801) 3.165 10.066 ( -2.543 16.408 1.259) 16.652 10.175 ( 3.501 19.787 2.757) 20.283 10.288 ( -0.566 22.879 -1.955) 22.970 10.375 ( 3.807 11.193 -7.029) 13.754 10.545 ( -1.841 -21.809 2.194) 21.996 10.580 ( 2.314 -18.304 -3.324) 18.747 10.715 ( 3.967 -14.219 2.120) 14.914 10.949 ( 2.311 -1.140 -4.388) 5.088 10.977 ( 2.171 -1.121 -1.308) 2.772 11.091 ( 0.223 2.023 1.527) 2.544 11.110 ( -0.795 5.601 -2.458) 6.168 11.194 ( -4.573 2.616 -0.367) 5.282 11.235 ( -1.498 0.804 -0.181) 1.710 11.302 ( 0.224 3.311 -0.222) 3.326 11.391 ( 3.164 5.192 3.155) 6.850 11.901 ( 10.979 14.871 -3.786) 18.868 12.038 ( 13.266 22.302 -9.736) 27.716 12.079 ( 1.691 10.802 -2.677) 11.257 12.141 ( 0.264 7.660 0.451) 7.678 12.186 ( 1.947 8.722 -1.283) 9.029 14.022 ( 0.459 5.214 0.177) 5.237 14.065 ( 0.849 6.249 -0.355) 6.317 14.164 ( 0.413 8.568 -2.641) 8.976 14.213 ( 3.576 10.017 -1.836) 10.794 14.647 ( 2.005 1.458 0.578) 2.546 14.709 ( 1.320 0.454 -1.911) 2.367 14.733 ( -1.142 2.049 0.101) 2.348 14.814 ( -1.202 6.085 -1.482) 6.377 14.889 ( -1.015 5.635 0.321) 5.735 14.951 ( -2.038 1.047 0.769) 2.417 15.019 ( -0.961 2.366 -0.135) 2.557 15.048 ( 5.531 13.404 -1.550) 14.583 15.284 ( 0.755 4.506 1.818) 4.917 15.469 ( 6.976 4.247 -0.267) 8.171 15.666 ( -3.681 4.383 -3.676) 6.802 15.810 ( 3.683 1.776 7.584) 8.617 16.375 ( -6.385 -0.730 -3.981) 7.560 16.819 ( 8.646 1.722 4.264) 9.793 17.077 ( -2.826 -3.036 1.804) 4.523 17.272 ( -1.274 3.240 -0.782) 3.568 17.516 ( 10.329 -2.111 -1.927) 10.717 17.596 ( 4.103 -3.063 -1.730) 5.404 17.880 ( -8.999 -3.977 -3.206) 10.348 17.985 ( -0.619 2.596 -0.278) 2.683 18.028 ( -0.491 -0.825 -0.002) 0.960 18.110 ( -0.237 3.636 0.115) 3.646 18.133 ( 0.165 2.473 0.518) 2.532 18.399 ( 9.242 3.682 -2.670) 10.300 18.632 ( 2.036 0.515 -0.175) 2.107 18.661 ( 1.755 -0.996 0.571) 2.097 18.726 ( -0.361 1.460 -0.464) 1.574 18.764 ( 1.034 2.233 -0.136) 2.464 21.613 ( -1.988 0.932 -2.005) 2.974 21.693 ( 2.350 0.836 0.809) 2.623 21.764 ( -2.978 -0.117 1.224) 3.222 21.985 ( -4.279 -0.491 3.806) 5.748 22.220 ( 4.349 -0.542 -1.015) 4.499 22.330 ( 0.872 0.586 -0.539) 1.181 22.511 ( -4.075 -10.630 -1.445) 11.476 22.631 ( 1.492 -5.775 1.872) 6.251 22.737 ( -4.617 -5.908 -3.684) 8.354 22.841 ( 2.343 -4.652 3.760) 6.424 22.952 ( -7.099 0.267 -3.802) 8.058 23.072 ( -1.433 0.801 -1.330) 2.112 23.184 ( -0.000 -4.745 4.061) 6.246 23.282 ( -2.664 -5.666 5.617) 8.411 23.328 ( -0.482 -2.549 -0.110) 2.597 23.431 ( 1.917 -3.873 -1.125) 4.466 ======================= Grid point 65 (29/66) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 6.313 18.562 14.663) 24.483 1.181 ( 1.570 24.922 3.200) 25.175 1.454 ( 4.156 14.526 -7.532) 16.882 1.697 ( -0.330 1.909 -1.922) 2.729 1.800 ( -6.101 4.456 -9.828) 12.396 1.856 ( -1.287 2.797 -7.697) 8.290 2.199 ( 0.132 22.120 7.465) 23.346 2.270 ( -2.681 9.216 0.531) 9.612 2.356 ( -4.491 15.697 4.721) 16.996 2.501 ( 0.951 14.560 -0.872) 14.617 2.585 ( 0.511 14.865 1.324) 14.933 2.643 ( 3.107 6.118 1.828) 7.101 2.667 ( 6.683 13.503 -4.269) 15.659 2.719 ( -2.268 18.716 6.147) 19.830 2.824 ( -2.375 8.547 2.447) 9.202 2.904 ( 0.923 15.785 -0.232) 15.813 3.055 ( -4.284 -5.191 -4.305) 7.990 3.199 ( 3.335 -4.522 -1.663) 5.859 3.229 ( 0.928 -1.711 2.131) 2.886 3.330 ( -0.319 0.103 0.592) 0.680 3.389 ( -1.456 -1.906 1.409) 2.781 3.442 ( -1.252 -0.780 0.271) 1.500 3.611 ( 1.781 -6.740 0.364) 6.981 3.649 ( -0.760 -2.219 -1.927) 3.035 3.936 ( 5.814 -3.002 -1.133) 6.641 3.958 ( -6.567 -4.656 -1.030) 8.115 4.041 ( -1.539 -2.622 0.056) 3.041 4.135 ( 0.619 -0.376 1.256) 1.450 4.213 ( 0.926 0.181 -1.476) 1.752 4.325 ( -1.243 -3.468 -5.705) 6.792 4.378 ( 1.374 -2.344 6.196) 6.766 4.501 ( 0.776 -0.443 3.164) 3.287 4.610 ( 1.021 -2.659 -0.316) 2.866 4.662 ( -3.354 -2.078 -2.061) 4.451 4.692 ( 0.008 -0.963 2.142) 2.348 4.789 ( 3.027 2.835 -2.804) 5.007 4.905 ( -1.623 -1.921 0.496) 2.563 4.998 ( 1.058 -1.132 -0.129) 1.555 5.032 ( 0.929 -4.506 -0.456) 4.623 5.091 ( 5.221 -0.527 2.174) 5.680 5.124 ( -5.758 -0.548 -1.594) 6.000 5.239 ( -5.804 -2.479 3.306) 7.125 5.289 ( -0.874 -3.957 -6.596) 7.742 5.331 ( 6.872 -4.754 1.582) 8.505 5.374 ( 1.239 -5.950 0.676) 6.115 5.406 ( -2.659 -2.193 -0.635) 3.504 5.468 ( 2.957 -5.019 -3.974) 7.052 5.539 ( -0.810 -1.260 -6.300) 6.475 5.609 ( -2.956 -8.828 -0.107) 9.310 5.656 ( -4.096 -2.181 1.690) 4.939 5.677 ( 0.050 -4.858 -0.567) 4.891 5.714 ( 3.794 3.423 0.395) 5.125 5.831 ( 2.290 -1.557 2.025) 3.430 5.875 ( 3.181 1.060 4.960) 5.987 6.005 ( -0.364 1.217 -0.232) 1.291 6.116 ( -0.036 -3.538 3.677) 5.103 6.159 ( -2.881 0.294 -2.222) 3.650 6.248 ( -0.141 4.090 -0.982) 4.208 6.299 ( -4.308 3.188 1.233) 5.499 6.353 ( -2.231 6.697 -2.029) 7.345 6.401 ( 1.138 8.160 2.549) 8.624 6.463 ( 2.521 0.552 -1.693) 3.087 6.543 ( 3.070 -1.695 4.367) 5.601 6.583 ( 1.645 -0.530 3.526) 3.926 6.615 ( 1.646 1.897 -1.705) 3.036 6.799 ( -3.947 2.084 -2.484) 5.107 6.898 ( 1.095 0.223 4.186) 4.332 6.989 ( -2.021 -0.076 -0.961) 2.240 7.058 ( -0.361 0.295 3.026) 3.062 7.086 ( -1.800 0.492 0.563) 1.949 7.153 ( 2.885 -5.605 1.032) 6.388 7.169 ( 1.659 3.412 -1.491) 4.077 7.283 ( 0.024 1.104 -1.432) 1.808 7.310 ( -1.044 -2.091 -3.692) 4.369 7.482 ( 0.805 -4.085 1.922) 4.586 7.498 ( -3.264 -6.182 1.213) 7.096 7.556 ( 2.068 -4.985 -1.471) 5.594 7.623 ( 0.116 -4.044 -3.503) 5.352 7.798 ( -0.271 -6.804 -1.209) 6.916 7.860 ( -0.249 -1.472 -1.803) 2.341 8.018 ( 0.842 -3.256 1.615) 3.731 8.064 ( -1.281 -3.563 0.987) 3.912 8.103 ( 1.786 -5.027 0.996) 5.427 8.129 ( -0.717 -6.040 -2.026) 6.411 8.239 ( -0.451 0.648 4.401) 4.471 8.391 ( -0.078 2.120 0.936) 2.319 8.435 ( -1.530 3.315 0.616) 3.702 8.518 ( 1.000 0.979 -0.879) 1.653 8.751 ( 0.010 4.787 1.325) 4.967 8.841 ( 1.605 3.162 -2.278) 4.215 8.879 ( -2.266 3.228 0.227) 3.951 8.899 ( 1.217 2.240 -0.785) 2.668 9.395 ( 0.595 -8.485 0.619) 8.528 9.448 ( -0.277 -6.731 -1.675) 6.942 9.487 ( -0.231 -8.957 0.884) 9.003 9.506 ( 0.212 -7.657 -0.177) 7.662 9.630 ( 2.268 -1.260 1.244) 2.877 9.660 ( -2.005 -2.434 1.288) 3.406 9.791 ( -2.765 -4.616 1.155) 5.503 9.873 ( 1.713 -2.924 -1.682) 3.783 10.026 ( -0.613 -20.442 1.593) 20.513 10.134 ( -0.049 -13.815 -2.417) 14.025 10.160 ( -0.054 -16.712 0.705) 16.727 10.237 ( 0.970 -18.107 -1.741) 18.217 10.590 ( 2.870 17.563 3.218) 18.085 10.772 ( -5.225 21.530 -5.689) 22.874 10.907 ( -0.472 16.049 2.947) 16.324 11.032 ( 4.401 5.548 2.132) 7.395 11.045 ( 3.288 1.618 -1.876) 4.117 11.100 ( -0.982 -0.813 1.439) 1.923 11.163 ( 1.080 5.449 -2.105) 5.941 11.192 ( -4.441 8.736 -2.781) 10.186 11.271 ( 0.000 3.801 1.321) 4.024 11.325 ( 0.818 1.865 -2.522) 3.242 11.646 ( -2.168 13.219 16.878) 21.548 12.081 ( 0.883 5.791 2.146) 6.239 12.184 ( -1.143 5.877 -2.722) 6.577 12.308 ( 0.071 6.941 1.031) 7.017 12.361 ( 0.710 7.205 -1.191) 7.337 12.514 ( 1.929 7.836 -21.510) 22.974 14.166 ( 0.367 8.185 0.630) 8.218 14.202 ( -0.031 7.932 -1.175) 8.019 14.361 ( 0.383 10.310 -1.198) 10.387 14.381 ( 0.752 4.646 -3.564) 5.904 14.666 ( -0.964 -0.605 -0.097) 1.142 14.714 ( 1.034 -0.299 -1.638) 1.960 14.793 ( 1.177 1.723 3.075) 3.716 14.896 ( -0.739 3.952 -2.362) 4.663 15.002 ( -0.000 6.107 -0.059) 6.107 15.036 ( -2.286 9.610 -0.883) 9.917 15.142 ( 3.426 12.426 5.096) 13.860 15.360 ( 2.010 7.677 -4.128) 8.945 15.463 ( 2.715 8.082 1.395) 8.639 15.567 ( -6.739 3.345 -1.747) 7.723 15.685 ( -5.620 2.320 0.803) 6.133 15.759 ( 0.221 3.634 -1.457) 3.921 16.446 ( 9.206 -1.285 9.189) 13.071 16.754 ( -7.496 -2.128 -5.783) 9.704 17.103 ( 1.160 0.400 7.986) 8.080 17.417 ( 2.679 6.352 -2.534) 7.344 17.551 ( 0.682 -2.349 -2.423) 3.443 17.605 ( -4.568 -4.029 -3.779) 7.168 17.729 ( 9.340 -3.300 3.233) 10.420 17.927 ( -7.805 0.742 -6.181) 9.984 18.092 ( 1.441 3.238 2.900) 4.579 18.176 ( -1.201 4.039 -1.038) 4.339 18.215 ( 1.244 3.578 0.895) 3.892 18.378 ( -1.357 -0.539 -9.722) 9.831 18.649 ( 0.063 -1.329 0.575) 1.449 18.695 ( 1.329 -0.636 0.372) 1.519 18.736 ( 0.724 -1.163 -1.850) 2.302 18.756 ( -3.593 -1.064 -4.118) 5.567 21.684 ( 3.943 -0.354 2.577) 4.724 21.730 ( -1.164 0.333 -0.464) 1.297 21.775 ( 3.616 -0.561 4.057) 5.464 21.879 ( -2.218 -0.667 -0.884) 2.479 22.216 ( -1.892 0.933 2.378) 3.179 22.324 ( -0.251 -0.518 -2.483) 2.548 22.442 ( 4.768 -3.392 0.549) 5.877 22.505 ( -7.794 -2.491 -1.910) 8.402 22.601 ( 4.000 -5.591 2.625) 7.359 22.662 ( -2.475 -7.430 -1.059) 7.903 22.933 ( 1.803 0.231 2.306) 2.936 23.028 ( -1.222 -1.371 -1.824) 2.589 23.137 ( 1.471 -4.376 5.294) 7.024 23.177 ( -1.632 -3.684 1.862) 4.439 23.258 ( -0.189 -3.312 -0.998) 3.464 23.341 ( 0.596 -5.828 -2.046) 6.205 ======================= Grid point 66 (30/66) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 5.183 18.226 4.818) 19.551 1.331 ( 12.673 14.557 12.203) 22.835 1.530 ( 4.586 5.810 -7.367) 10.443 1.569 ( -1.948 10.386 -11.485) 15.607 1.714 ( -7.877 7.597 -8.314) 13.744 1.737 ( -2.001 7.307 0.562) 7.597 2.225 ( -6.891 15.238 7.006) 18.132 2.246 ( -2.519 10.686 -0.796) 11.008 2.349 ( 6.527 30.268 5.703) 31.484 2.465 ( -4.514 0.884 -4.010) 6.102 2.561 ( -2.729 11.297 1.430) 11.710 2.596 ( -6.118 20.629 3.617) 21.819 2.713 ( 3.495 5.587 -0.117) 6.592 2.780 ( 6.156 13.002 -3.239) 14.746 2.857 ( -1.922 16.542 2.861) 16.897 2.891 ( 0.194 8.930 -1.050) 8.994 2.958 ( -3.777 -4.028 -0.206) 5.526 3.218 ( -2.507 0.177 1.308) 2.834 3.242 ( 1.779 -2.753 -0.483) 3.313 3.308 ( -1.268 -1.285 0.506) 1.875 3.410 ( 1.635 -3.158 3.004) 4.656 3.480 ( 4.283 1.939 -1.308) 4.879 3.609 ( -2.025 -1.101 -1.956) 3.023 3.671 ( 3.047 -6.081 0.846) 6.854 3.839 ( -4.090 -2.599 -1.287) 5.014 3.935 ( -4.723 -4.296 2.740) 6.947 4.039 ( 0.605 -2.591 -0.591) 2.726 4.087 ( -2.747 -0.155 -0.135) 2.754 4.255 ( 2.146 -3.214 -2.555) 4.633 4.321 ( 2.921 -3.965 -2.617) 5.577 4.475 ( 4.719 -1.968 4.056) 6.527 4.513 ( -0.972 2.329 4.499) 5.159 4.540 ( -7.092 -0.543 -0.575) 7.136 4.666 ( 3.175 -2.435 0.794) 4.079 4.684 ( 0.099 -1.459 -5.387) 5.582 4.822 ( 2.405 -0.699 -1.101) 2.736 4.857 ( -3.979 -3.921 -1.455) 5.773 5.000 ( -6.680 -3.133 0.624) 7.405 5.060 ( -0.340 -2.319 -0.321) 2.366 5.092 ( 7.278 1.556 0.824) 7.488 5.158 ( 2.633 -0.791 3.613) 4.540 5.227 ( 2.807 -1.983 0.457) 3.467 5.266 ( 1.908 -4.423 -0.902) 4.901 5.294 ( -3.292 -6.145 -2.781) 7.506 5.383 ( -1.234 -3.099 -3.424) 4.780 5.440 ( -1.761 -5.372 1.857) 5.950 5.467 ( 1.224 -0.643 -4.589) 4.793 5.540 ( -0.096 -6.432 -3.044) 7.117 5.582 ( 2.459 -4.877 1.802) 5.752 5.651 ( 5.491 -5.579 -0.880) 7.878 5.711 ( 1.912 -4.279 1.071) 4.808 5.800 ( 1.562 2.482 -0.221) 2.941 5.881 ( 2.228 1.921 1.454) 3.282 5.934 ( 1.319 -3.533 1.381) 4.016 6.007 ( 0.269 4.007 2.483) 4.722 6.052 ( -5.062 -0.088 -6.192) 7.998 6.135 ( -0.664 0.845 3.822) 3.970 6.188 ( -4.083 0.873 2.125) 4.685 6.257 ( -1.425 1.358 4.312) 4.740 6.338 ( 1.640 4.879 -1.919) 5.493 6.429 ( 0.851 5.938 1.384) 6.156 6.473 ( -1.739 0.017 1.303) 2.173 6.571 ( 0.623 -0.309 -1.064) 1.271 6.636 ( 0.469 1.186 -0.315) 1.314 6.660 ( 1.100 2.989 -0.389) 3.208 6.769 ( 3.431 -1.227 -0.296) 3.656 6.903 ( -1.594 3.022 2.145) 4.034 6.940 ( -2.529 -2.211 0.499) 3.396 6.984 ( -4.811 -0.233 1.255) 4.978 7.062 ( -2.724 -0.109 -1.026) 2.913 7.219 ( 5.072 3.115 0.115) 5.953 7.234 ( 2.353 -0.038 -0.341) 2.378 7.273 ( 0.388 -5.032 1.248) 5.199 7.331 ( 3.375 0.635 -1.708) 3.835 7.436 ( -3.566 -5.697 -0.452) 6.736 7.512 ( 0.685 -3.758 1.516) 4.110 7.553 ( -0.440 -4.049 -2.814) 4.951 7.665 ( 5.629 -4.492 -1.079) 7.282 7.791 ( -0.014 -6.130 -0.849) 6.188 7.837 ( -1.484 -2.646 -1.158) 3.248 8.008 ( -2.092 -4.641 1.240) 5.240 8.055 ( -0.513 -3.846 0.414) 3.902 8.100 ( -1.266 -6.898 0.164) 7.015 8.140 ( 0.941 -2.639 -0.978) 2.968 8.247 ( -0.365 0.817 4.881) 4.963 8.372 ( -3.454 2.321 2.430) 4.819 8.410 ( 0.473 3.155 -2.815) 4.255 8.506 ( -1.674 1.669 -0.436) 2.403 8.761 ( 0.214 4.288 1.207) 4.460 8.832 ( -2.380 2.851 0.625) 3.766 8.874 ( 2.954 2.451 -2.548) 4.607 8.926 ( 1.365 2.919 -0.315) 3.238 9.398 ( -0.714 -10.667 0.825) 10.723 9.435 ( -0.333 -6.349 -1.783) 6.603 9.483 ( 0.253 -5.439 -0.299) 5.453 9.529 ( 1.075 -9.122 0.698) 9.211 9.615 ( -1.574 -3.503 1.667) 4.187 9.703 ( 3.058 -0.221 1.488) 3.408 9.745 ( -1.912 -3.965 -0.028) 4.402 9.904 ( 1.502 -4.643 -0.487) 4.904 10.036 ( 0.877 -20.425 1.292) 20.484 10.128 ( 0.426 -14.676 -1.271) 14.737 10.165 ( 0.575 -15.780 -0.518) 15.799 10.240 ( 0.014 -18.263 -1.447) 18.320 10.640 ( -2.622 20.240 -2.387) 20.549 10.696 ( 2.978 13.493 2.887) 14.116 10.881 ( -2.932 14.997 1.733) 15.379 11.044 ( -0.516 1.457 -3.974) 4.264 11.081 ( -3.926 8.029 -4.003) 9.793 11.089 ( 0.220 1.864 1.966) 2.718 11.157 ( 3.060 1.398 0.526) 3.405 11.197 ( 2.832 14.298 1.166) 14.622 11.297 ( 1.623 0.107 0.256) 1.646 11.381 ( 7.141 9.146 -2.233) 11.816 11.635 ( -6.934 10.641 15.868) 20.325 12.124 ( 2.052 5.915 3.204) 7.034 12.159 ( -0.135 6.364 -2.999) 7.036 12.288 ( -2.377 7.023 0.181) 7.416 12.302 ( -12.359 17.122 -18.964) 28.382 12.367 ( 0.371 7.144 -1.168) 7.248 14.176 ( 0.262 7.902 0.746) 7.941 14.197 ( 0.204 8.542 -1.318) 8.645 14.342 ( -1.603 8.527 -2.139) 8.936 14.371 ( -0.119 8.057 -1.364) 8.173 14.642 ( -1.387 0.112 0.506) 1.481 14.733 ( 1.310 -0.887 -1.583) 2.238 14.825 ( 0.364 1.808 2.777) 3.333 14.864 ( -0.599 3.534 -2.816) 4.558 15.004 ( -0.462 6.216 0.431) 6.248 15.038 ( 2.603 8.103 1.293) 8.609 15.189 ( -1.544 10.514 0.523) 10.639 15.295 ( -6.347 12.148 -2.670) 13.964 15.463 ( -0.093 8.030 -1.208) 8.120 15.509 ( -2.270 4.993 1.518) 5.691 15.569 ( 0.265 6.273 3.487) 7.182 15.858 ( 5.151 3.512 1.647) 6.448 16.487 ( -8.138 -0.906 -3.796) 9.025 16.775 ( 11.800 -5.250 5.712) 14.122 17.087 ( -5.562 3.529 2.735) 7.133 17.403 ( -6.790 1.965 1.215) 7.172 17.459 ( -0.338 1.657 -5.882) 6.120 17.602 ( -8.516 -1.429 -1.931) 8.849 17.692 ( 1.123 -2.184 -4.286) 4.940 17.932 ( 6.322 -3.362 2.493) 7.582 18.100 ( -1.370 1.995 0.845) 2.563 18.159 ( -0.246 3.476 -0.180) 3.490 18.228 ( 0.245 3.641 -0.314) 3.663 18.329 ( -0.026 4.467 -4.620) 6.427 18.641 ( -2.952 -0.831 -0.034) 3.067 18.664 ( -1.562 0.330 0.495) 1.671 18.705 ( -0.185 -1.116 -1.015) 1.520 18.749 ( 0.962 -1.085 0.411) 1.507 21.686 ( -2.480 1.493 -1.312) 3.178 21.727 ( 0.637 0.296 -0.145) 0.717 21.804 ( 0.889 -2.042 0.201) 2.236 21.983 ( 4.337 -6.052 3.695) 8.312 22.195 ( 1.611 1.560 -0.559) 2.311 22.309 ( -0.358 -0.800 -1.368) 1.624 22.354 ( -5.326 -1.027 0.430) 5.441 22.513 ( 2.583 -3.969 2.084) 5.173 22.581 ( -2.798 -7.689 -2.214) 8.476 22.733 ( 4.073 -5.991 1.240) 7.349 23.008 ( 4.193 -0.492 0.895) 4.316 23.010 ( 0.619 -1.815 -1.899) 2.699 23.139 ( -2.271 -4.798 1.991) 5.670 23.193 ( 1.016 -4.387 4.088) 6.082 23.262 ( 0.931 -3.103 -0.845) 3.349 23.342 ( 0.543 -5.393 -1.935) 5.756 ======================= Grid point 67 (31/66) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 4.710 11.729 1.985) 12.794 1.421 ( -7.453 10.392 -6.983) 14.571 1.557 ( 1.749 15.708 -12.033) 19.865 1.596 ( 10.000 6.673 2.859) 12.358 1.616 ( -2.391 6.313 -0.108) 6.752 1.793 ( 4.734 8.264 1.178) 9.596 2.019 ( -9.557 11.616 1.592) 15.126 2.144 ( -6.295 14.360 6.589) 17.008 2.423 ( 3.372 17.267 -3.614) 17.961 2.445 ( -2.790 8.070 -3.138) 9.098 2.560 ( 1.636 19.377 3.870) 19.827 2.620 ( 5.685 16.080 3.308) 17.374 2.741 ( -3.633 12.420 2.042) 13.100 2.768 ( -2.300 9.964 2.534) 10.536 2.825 ( -0.386 10.353 -2.831) 10.740 2.889 ( -1.765 9.947 0.245) 10.105 2.981 ( 6.055 1.312 -0.187) 6.199 3.169 ( -2.476 0.201 -0.131) 2.487 3.254 ( -1.840 -1.348 1.563) 2.766 3.299 ( 0.261 -1.713 0.805) 1.911 3.453 ( 1.274 -2.240 0.803) 2.699 3.502 ( -1.102 -0.883 0.557) 1.517 3.610 ( 2.668 0.481 -0.735) 2.809 3.665 ( -2.647 -1.372 -0.832) 3.095 3.807 ( -0.815 -3.232 1.543) 3.673 3.929 ( 2.832 -3.283 1.828) 4.705 3.992 ( -3.304 0.933 1.159) 3.623 4.070 ( -0.885 -6.530 -0.172) 6.592 4.280 ( 2.193 -3.944 -4.061) 6.071 4.359 ( -0.318 -4.702 -2.247) 5.221 4.415 ( -0.328 -3.391 -0.111) 3.409 4.486 ( -2.725 2.150 5.300) 6.335 4.608 ( -1.278 0.761 -2.578) 2.976 4.644 ( 2.132 -4.670 -1.970) 5.499 4.697 ( 2.183 -0.074 -2.246) 3.133 4.775 ( -2.918 -4.734 -2.265) 6.004 4.876 ( 2.054 -4.386 1.489) 5.066 4.938 ( -0.186 -2.302 3.790) 4.438 5.059 ( 0.216 -2.038 4.203) 4.676 5.147 ( -1.790 -2.029 -1.295) 2.999 5.198 ( -2.378 -4.063 -4.003) 6.180 5.216 ( -0.743 -3.185 1.953) 3.809 5.305 ( 3.156 0.226 -3.340) 4.600 5.340 ( 0.542 -1.910 -0.471) 2.040 5.375 ( 5.584 -4.470 -1.741) 7.362 5.420 ( 4.493 -3.233 -3.351) 6.470 5.503 ( 1.751 -4.568 -4.018) 6.331 5.522 ( 0.489 -0.178 2.795) 2.843 5.628 ( -1.501 -5.635 3.217) 6.661 5.720 ( -1.027 -7.161 2.648) 7.703 5.745 ( -2.296 2.119 -0.729) 3.209 5.784 ( 3.642 -0.593 -1.556) 4.004 5.871 ( -2.767 2.988 -1.288) 4.271 5.906 ( -2.997 -0.353 -3.794) 4.848 6.017 ( 4.158 -3.479 -0.153) 5.424 6.035 ( 0.534 2.766 3.125) 4.208 6.099 ( -2.084 1.617 0.377) 2.665 6.188 ( -1.561 -0.988 6.223) 6.492 6.262 ( -0.334 2.490 3.159) 4.036 6.357 ( 0.814 1.016 -1.931) 2.329 6.440 ( 0.828 -0.219 0.242) 0.890 6.442 ( -2.544 1.557 1.998) 3.590 6.558 ( -0.788 0.384 1.156) 1.451 6.651 ( 0.185 1.880 -2.888) 3.451 6.691 ( 4.702 0.475 -2.515) 5.354 6.753 ( -3.488 3.369 -5.175) 7.093 6.861 ( -3.173 -4.869 0.452) 5.829 6.903 ( -3.403 0.576 2.493) 4.258 6.959 ( 2.685 0.750 5.392) 6.070 7.082 ( 4.111 -0.161 -0.040) 4.114 7.240 ( -3.056 -1.854 1.250) 3.786 7.260 ( -1.143 0.924 1.444) 2.061 7.302 ( -0.504 2.576 -1.014) 2.815 7.359 ( 4.374 2.253 -1.796) 5.238 7.418 ( 0.235 -4.325 -3.562) 5.608 7.461 ( -1.347 -3.999 -2.273) 4.793 7.607 ( 3.676 -5.028 2.770) 6.816 7.756 ( -1.433 -7.071 1.429) 7.355 7.782 ( 1.756 -1.488 -0.961) 2.494 7.825 ( 2.494 -3.661 -0.526) 4.461 7.976 ( -2.165 -5.297 2.059) 6.082 8.029 ( -0.830 -5.093 -0.973) 5.251 8.079 ( -1.652 -7.221 0.864) 7.457 8.135 ( -0.067 -1.419 -2.264) 2.673 8.282 ( 1.495 0.186 4.185) 4.448 8.313 ( -3.392 2.297 2.689) 4.900 8.409 ( 0.856 2.726 -3.170) 4.268 8.464 ( -2.055 2.737 -1.119) 3.601 8.768 ( 0.113 2.528 1.102) 2.760 8.803 ( -1.063 2.868 0.441) 3.090 8.916 ( 1.874 2.970 -1.337) 3.757 8.942 ( 0.720 3.108 -0.961) 3.332 9.383 ( -0.996 -11.457 0.604) 11.516 9.423 ( 0.185 -7.873 -1.770) 8.071 9.492 ( 0.760 -3.870 0.093) 3.945 9.535 ( -0.687 -8.381 0.475) 8.422 9.606 ( -1.102 -4.419 2.606) 5.247 9.708 ( -0.095 -1.025 -3.021) 3.191 9.777 ( 2.186 -1.374 4.270) 4.990 9.918 ( 0.249 -6.764 -0.471) 6.785 10.057 ( 0.369 -21.700 1.370) 21.747 10.141 ( 1.493 -15.581 -1.416) 15.716 10.174 ( 0.389 -14.915 -0.679) 14.936 10.226 ( -0.703 -18.212 -1.338) 18.275 10.602 ( 0.909 18.030 -1.131) 18.088 10.756 ( -1.915 15.160 1.861) 15.393 10.820 ( -1.698 8.972 -0.061) 9.132 10.966 ( -2.212 14.018 -6.328) 15.538 11.050 ( 0.453 1.317 -1.501) 2.048 11.106 ( -0.127 3.619 -1.557) 3.942 11.182 ( 1.945 3.211 3.034) 4.826 11.295 ( 3.074 10.284 5.054) 11.863 11.323 ( 1.520 4.498 1.200) 4.897 11.513 ( -3.951 10.635 8.020) 13.894 11.592 ( 8.491 14.307 -1.719) 16.726 11.934 ( -14.383 22.403 -10.228) 28.519 12.176 ( 1.470 6.849 -1.135) 7.097 12.200 ( 3.243 5.925 1.645) 6.952 12.235 ( -2.814 7.193 -0.425) 7.735 12.360 ( -0.353 7.105 -1.867) 7.355 14.177 ( -0.520 8.301 0.319) 8.324 14.198 ( 0.526 9.042 -1.245) 9.142 14.311 ( -0.742 8.243 0.074) 8.277 14.363 ( 0.004 9.257 -1.348) 9.355 14.627 ( -0.457 0.879 1.163) 1.528 14.734 ( -0.239 0.000 -2.890) 2.900 14.827 ( -0.386 2.242 1.751) 2.871 14.871 ( 1.258 1.291 -0.871) 2.002 15.002 ( -0.399 4.775 1.285) 4.960 15.081 ( -0.864 8.023 -1.563) 8.219 15.131 ( 1.273 12.296 0.886) 12.393 15.231 ( -2.268 9.261 1.844) 9.711 15.423 ( -1.791 6.541 -1.155) 6.879 15.491 ( 0.028 10.493 -3.073) 10.934 15.652 ( 3.124 6.122 6.372) 9.372 15.909 ( -1.037 4.350 0.619) 4.515 16.395 ( 1.978 -0.076 1.318) 2.378 16.916 ( -10.630 4.988 -7.746) 14.067 17.024 ( 10.116 -3.140 6.650) 12.507 17.255 ( -6.919 -0.699 0.545) 6.976 17.413 ( -2.965 0.577 -0.078) 3.021 17.489 ( 0.523 0.512 -5.239) 5.290 17.784 ( 5.025 -3.049 3.580) 6.882 18.014 ( 0.887 -6.743 1.206) 6.907 18.073 ( -0.854 2.169 -0.724) 2.441 18.144 ( -0.972 3.053 -1.017) 3.361 18.246 ( 1.750 5.607 -0.111) 5.875 18.308 ( -1.210 4.939 -0.787) 5.145 18.588 ( -1.382 -0.718 0.503) 1.637 18.650 ( -1.223 -0.677 -1.195) 1.839 18.712 ( 1.183 -0.917 1.287) 1.974 18.762 ( 0.108 -0.979 0.168) 1.000 21.654 ( -0.101 2.087 -0.594) 2.172 21.727 ( -0.242 0.509 -2.093) 2.167 21.837 ( 1.579 -2.166 1.438) 3.042 21.954 ( -4.247 -1.370 0.585) 4.501 22.252 ( -1.097 0.802 1.697) 2.175 22.299 ( 1.435 0.658 -2.167) 2.681 22.352 ( 4.699 -7.930 0.114) 9.218 22.508 ( -3.668 -8.252 -2.667) 9.416 22.577 ( 2.763 -4.248 3.983) 6.445 22.762 ( -0.772 -6.170 -0.686) 6.256 23.014 ( 1.124 -1.744 -1.722) 2.697 23.068 ( -0.007 -2.578 -1.353) 2.912 23.130 ( 1.319 -3.657 3.380) 5.152 23.214 ( -0.577 -4.346 3.494) 5.606 23.273 ( 0.361 -3.316 -1.298) 3.579 23.343 ( 0.319 -4.883 -1.809) 5.217 ======================= Grid point 68 (32/66) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -10.401 17.560 -3.940) 20.786 1.397 ( -11.177 12.299 0.473) 16.626 1.523 ( 0.164 8.894 -3.432) 9.535 1.536 ( -2.245 7.335 -4.682) 8.987 1.685 ( 7.897 11.955 -1.126) 14.372 1.898 ( 10.579 0.507 -2.015) 10.781 2.085 ( 2.840 12.851 7.817) 15.307 2.200 ( 11.087 11.714 3.377) 16.478 2.342 ( -5.567 14.578 -3.038) 15.898 2.464 ( 2.224 23.279 -5.550) 24.034 2.559 ( -3.947 8.321 4.088) 10.076 2.640 ( -1.967 11.040 0.650) 11.233 2.691 ( -3.857 11.654 2.760) 12.582 2.785 ( -1.047 11.274 1.324) 11.400 2.810 ( -0.808 21.356 1.591) 21.430 2.873 ( 2.608 8.170 -0.193) 8.578 3.100 ( 5.607 0.312 -0.237) 5.621 3.128 ( -1.509 0.412 -0.645) 1.692 3.197 ( -3.618 -2.077 1.412) 4.404 3.314 ( 0.745 -1.812 -0.147) 1.965 3.453 ( -1.031 -1.030 1.864) 2.366 3.507 ( 0.299 -3.347 0.125) 3.363 3.606 ( -1.510 -0.289 -0.520) 1.623 3.671 ( 2.781 0.053 -1.284) 3.064 3.807 ( -1.849 -3.773 2.033) 4.667 3.919 ( 0.648 -0.158 0.549) 0.864 3.997 ( 0.252 -2.450 1.714) 3.000 4.071 ( 1.334 -7.456 0.642) 7.602 4.329 ( 3.657 -2.502 -4.221) 6.120 4.340 ( 1.534 -2.824 -3.772) 4.956 4.436 ( -2.992 -6.798 4.271) 8.567 4.477 ( 2.649 1.207 3.350) 4.438 4.495 ( -5.307 -2.113 -3.357) 6.626 4.673 ( 1.369 -0.605 -1.919) 2.434 4.720 ( -1.562 -2.913 -1.798) 3.763 4.779 ( 4.145 -2.972 -3.207) 6.025 4.929 ( 2.456 -6.506 5.101) 8.624 4.953 ( -1.144 0.186 5.176) 5.304 5.059 ( -1.981 -4.673 -1.271) 5.233 5.103 ( -3.197 -3.798 -6.611) 8.267 5.155 ( 1.556 -1.299 3.425) 3.980 5.205 ( 0.016 -0.033 0.224) 0.227 5.299 ( 0.750 -4.248 -0.755) 4.379 5.366 ( 1.919 -2.375 -1.450) 3.380 5.427 ( -7.106 -1.511 -2.929) 7.833 5.469 ( -3.033 1.838 -3.376) 4.897 5.487 ( 3.997 -2.814 -5.014) 7.002 5.531 ( 4.170 -0.700 0.770) 4.298 5.622 ( -2.353 -9.487 4.852) 10.913 5.680 ( -1.460 2.836 1.418) 3.491 5.725 ( -0.115 -0.854 2.366) 2.519 5.802 ( 1.080 1.036 -1.467) 2.096 5.830 ( -3.004 -4.243 -0.834) 5.265 5.888 ( 0.519 -2.019 -3.197) 3.817 6.034 ( -2.439 1.212 -0.919) 2.875 6.094 ( 3.379 -3.012 0.139) 4.529 6.123 ( 4.424 1.489 6.024) 7.621 6.154 ( -2.937 -2.875 3.126) 5.164 6.236 ( -0.787 3.398 -1.409) 3.762 6.365 ( -3.066 0.781 5.807) 6.613 6.418 ( 2.256 3.060 -1.235) 3.998 6.499 ( -3.541 0.831 -1.739) 4.032 6.526 ( 4.964 -0.169 4.706) 6.843 6.619 ( -2.409 1.991 -4.492) 5.472 6.634 ( -3.699 1.526 -3.508) 5.322 6.770 ( -0.816 0.620 -3.725) 3.863 6.857 ( 1.529 0.926 1.438) 2.294 6.911 ( 5.569 -2.015 2.254) 6.337 7.029 ( 1.759 0.930 5.185) 5.554 7.132 ( -2.920 -3.921 -1.297) 5.057 7.141 ( -1.860 -0.116 0.485) 1.925 7.253 ( -1.511 2.636 0.127) 3.041 7.307 ( 0.806 2.983 1.214) 3.320 7.365 ( -0.904 -3.697 -1.249) 4.006 7.409 ( 1.380 1.049 -3.593) 3.989 7.476 ( 1.691 -5.168 -3.020) 6.220 7.659 ( -3.053 -5.868 4.632) 8.075 7.693 ( -1.325 -4.692 -0.642) 4.918 7.793 ( 0.263 -2.197 -1.452) 2.647 7.888 ( 1.917 -1.899 -0.322) 2.718 7.949 ( -0.678 -5.799 1.987) 6.168 8.042 ( 0.174 -5.237 -1.518) 5.455 8.053 ( 0.799 -6.767 1.699) 7.023 8.145 ( 2.005 -1.986 -1.201) 3.067 8.248 ( -3.487 -0.718 2.273) 4.224 8.353 ( 2.675 1.623 4.523) 5.500 8.413 ( 0.078 0.345 -2.383) 2.409 8.439 ( 1.422 5.389 -2.541) 6.125 8.772 ( -0.745 2.126 1.110) 2.511 8.797 ( 0.643 2.885 0.379) 2.980 8.916 ( -0.968 3.856 -1.206) 4.154 8.945 ( -0.180 2.649 -1.047) 2.854 9.373 ( -0.174 -10.150 0.277) 10.156 9.431 ( 1.371 -9.811 -1.573) 10.030 9.510 ( -0.056 -3.992 0.273) 4.002 9.516 ( -0.382 -7.529 0.445) 7.552 9.588 ( -1.664 -4.332 2.109) 5.097 9.701 ( 0.035 -0.171 -1.260) 1.272 9.820 ( 0.194 -2.175 3.653) 4.256 9.911 ( -0.722 -6.580 -1.078) 6.707 10.059 ( -0.867 -22.573 1.475) 22.638 10.155 ( 0.367 -15.887 -2.626) 16.107 10.170 ( -0.385 -14.966 0.694) 14.987 10.214 ( 0.417 -17.990 -1.718) 18.077 10.639 ( -5.944 15.586 -2.893) 16.930 10.672 ( 5.902 15.593 2.446) 16.851 10.845 ( 1.493 21.081 1.414) 21.181 10.940 ( 1.537 8.886 -4.453) 10.057 11.063 ( 0.513 0.609 -0.843) 1.159 11.069 ( -1.031 3.158 -3.316) 4.694 11.247 ( 1.651 2.720 3.960) 5.080 11.298 ( -1.422 0.914 -1.965) 2.592 11.345 ( -5.229 6.604 6.841) 10.852 11.470 ( -0.085 12.364 8.267) 14.873 11.583 ( -9.875 21.307 -4.424) 23.897 11.934 ( 16.381 14.440 -6.747) 22.855 12.193 ( 0.460 7.426 -1.287) 7.551 12.212 ( 2.592 7.708 -0.753) 8.167 12.267 ( 2.577 6.364 1.709) 7.076 12.344 ( 0.251 7.589 -3.034) 8.177 14.166 ( -0.535 8.655 0.094) 8.672 14.204 ( 0.558 8.765 -0.982) 8.838 14.315 ( 1.029 7.197 0.026) 7.270 14.362 ( 0.506 9.959 -1.284) 10.054 14.637 ( 0.819 1.242 1.471) 2.092 14.715 ( -0.030 0.442 -2.905) 2.939 14.811 ( -2.196 0.630 1.112) 2.541 14.898 ( 1.742 2.744 -0.715) 3.328 15.002 ( 0.174 6.978 1.533) 7.147 15.049 ( -1.031 4.253 -0.822) 4.453 15.184 ( -3.268 10.859 -0.485) 11.351 15.216 ( 5.388 13.325 2.525) 14.593 15.432 ( -0.116 7.543 -1.739) 7.742 15.456 ( 1.750 8.583 -2.141) 9.018 15.731 ( 1.931 2.821 8.953) 9.584 15.854 ( -3.099 4.024 -2.804) 5.802 16.518 ( 1.523 1.952 4.819) 5.418 16.701 ( -2.055 1.882 -6.485) 7.058 17.108 ( -4.736 -0.614 2.242) 5.276 17.251 ( 6.738 -0.305 0.466) 6.761 17.409 ( 2.645 1.777 -0.435) 3.216 17.496 ( 2.390 -0.771 -4.288) 4.969 17.880 ( 0.902 -3.396 5.069) 6.168 17.966 ( -2.589 -8.187 -1.822) 8.778 18.070 ( -0.429 3.766 0.368) 3.808 18.140 ( 1.410 3.072 -1.240) 3.600 18.245 ( -1.908 5.704 0.237) 6.019 18.334 ( 4.908 4.163 -1.295) 6.564 18.593 ( 1.131 -1.310 1.086) 2.043 18.624 ( -0.340 -0.636 -1.277) 1.467 18.745 ( 1.360 -0.707 1.440) 2.103 18.753 ( -0.793 -0.918 -0.413) 1.281 21.672 ( 1.677 1.791 0.636) 2.535 21.693 ( -1.928 0.704 -3.765) 4.288 21.820 ( -3.945 -0.883 2.300) 4.651 21.947 ( 2.870 -1.668 0.255) 3.329 22.216 ( -2.049 1.131 0.407) 2.376 22.320 ( 1.230 -0.036 -0.123) 1.237 22.414 ( -4.010 -7.827 -0.854) 8.835 22.446 ( 3.365 -7.201 -0.842) 7.993 22.652 ( 2.717 -5.832 4.304) 7.740 22.720 ( -2.270 -5.298 -2.791) 6.404 23.021 ( -1.526 -2.429 -1.374) 3.180 23.044 ( 0.507 -2.537 -0.805) 2.710 23.150 ( -2.382 -3.028 2.813) 4.770 23.214 ( -1.062 -4.409 3.816) 5.927 23.268 ( 0.472 -3.343 -1.554) 3.717 23.336 ( -0.004 -4.645 -2.029) 5.069 ======================= Grid point 69 (33/66) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -7.362 21.211 4.380) 22.875 1.199 ( -5.743 21.927 2.616) 22.817 1.454 ( -1.177 15.082 -5.167) 15.986 1.635 ( 6.744 1.592 -3.756) 7.882 1.820 ( 6.186 3.674 -2.764) 7.707 1.945 ( -3.182 2.885 -3.998) 5.868 2.210 ( -0.839 14.227 -0.001) 14.252 2.312 ( 4.205 9.341 7.866) 12.916 2.356 ( 1.879 10.736 2.642) 11.214 2.445 ( -1.019 16.354 1.266) 16.435 2.527 ( 5.014 14.655 -3.350) 15.847 2.579 ( -2.987 19.447 -1.008) 19.701 2.663 ( -1.601 14.221 0.440) 14.317 2.740 ( -3.113 10.288 2.761) 11.098 2.828 ( 2.491 22.183 1.115) 22.350 2.902 ( -1.028 6.733 1.229) 6.921 3.110 ( 0.470 -2.816 -5.131) 5.872 3.163 ( 0.364 -2.049 2.823) 3.507 3.184 ( 2.114 -2.508 0.486) 3.316 3.323 ( 0.323 -0.467 0.530) 0.777 3.431 ( -2.381 -2.666 1.516) 3.882 3.485 ( -2.431 -2.400 0.146) 3.419 3.600 ( 0.689 -3.676 -2.110) 4.294 3.668 ( -1.950 -3.748 0.737) 4.289 3.824 ( 5.202 -1.327 -1.631) 5.610 4.008 ( 2.813 -3.013 2.932) 5.058 4.024 ( 3.955 -2.712 2.108) 5.238 4.075 ( -0.651 -3.013 -1.600) 3.473 4.278 ( -3.316 -0.968 -5.979) 6.905 4.369 ( -3.435 0.127 3.095) 4.625 4.385 ( -1.303 -4.278 -0.221) 4.477 4.457 ( 1.682 -5.432 2.040) 6.042 4.587 ( 6.298 -2.430 0.526) 6.771 4.645 ( -1.207 0.031 -0.746) 1.419 4.714 ( -1.445 -0.780 1.557) 2.263 4.788 ( -0.934 -1.123 -3.950) 4.211 4.939 ( -1.761 0.471 1.876) 2.615 4.980 ( 2.499 -5.641 -4.582) 7.685 5.011 ( -0.269 -3.010 1.329) 3.301 5.077 ( -1.818 -4.825 0.588) 5.190 5.186 ( 4.035 -3.871 2.856) 6.279 5.223 ( -2.529 1.820 2.839) 4.216 5.289 ( -3.268 0.497 -0.243) 3.314 5.328 ( 1.406 -2.435 -5.103) 5.826 5.367 ( -1.689 -1.020 -3.345) 3.884 5.407 ( 1.911 -1.466 -1.545) 2.861 5.502 ( -1.053 -5.436 -2.774) 6.193 5.554 ( -1.706 -9.412 -0.916) 9.609 5.638 ( 2.175 0.072 0.971) 2.383 5.700 ( 1.948 0.801 -2.463) 3.241 5.717 ( -1.826 -2.466 2.867) 4.200 5.730 ( -5.503 -3.861 0.884) 6.780 5.790 ( -4.082 -1.652 1.164) 4.555 5.848 ( -1.013 -0.339 1.474) 1.820 6.016 ( 0.084 1.686 -2.817) 3.284 6.101 ( -0.116 -3.944 2.409) 4.623 6.164 ( 2.500 -2.244 -0.564) 3.406 6.233 ( 1.074 3.272 1.052) 3.601 6.287 ( 5.986 2.731 2.112) 6.910 6.351 ( -0.157 4.300 7.805) 8.913 6.417 ( -3.308 4.546 -0.171) 5.625 6.453 ( 0.558 3.054 -0.856) 3.220 6.508 ( -3.274 1.182 -3.396) 4.863 6.587 ( -0.680 2.401 -0.295) 2.513 6.634 ( -2.001 -1.235 -0.846) 2.499 6.768 ( 6.698 0.771 1.247) 6.857 6.876 ( -1.288 2.022 1.082) 2.630 7.011 ( 2.188 -3.259 1.663) 4.263 7.055 ( -2.636 -0.532 -1.812) 3.243 7.083 ( 2.219 -0.091 3.455) 4.107 7.119 ( -0.706 0.132 -2.915) 3.003 7.208 ( -2.988 0.309 0.950) 3.151 7.305 ( -0.994 -1.196 0.119) 1.560 7.344 ( -2.081 0.017 -1.035) 2.324 7.444 ( 2.757 -1.020 0.231) 2.949 7.501 ( 2.910 -6.428 -2.113) 7.366 7.576 ( -4.464 -4.887 0.777) 6.664 7.663 ( -2.516 -4.842 -1.577) 5.680 7.802 ( 0.953 -4.191 -1.945) 4.717 7.877 ( -1.306 -2.326 -0.769) 2.776 7.981 ( 2.276 -3.587 0.783) 4.320 8.050 ( 1.511 -4.429 0.662) 4.726 8.082 ( 0.358 -5.206 1.566) 5.448 8.163 ( -0.771 -5.264 -2.203) 5.759 8.219 ( -0.367 0.462 4.756) 4.793 8.393 ( -0.454 2.124 0.562) 2.244 8.424 ( 2.114 1.440 1.216) 2.832 8.481 ( 3.133 3.096 -1.991) 4.834 8.756 ( -1.024 3.185 0.986) 3.488 8.821 ( 1.319 3.271 0.282) 3.538 8.889 ( -0.459 3.436 -2.171) 4.090 8.923 ( -1.735 2.527 -0.143) 3.068 9.380 ( 0.673 -9.042 0.253) 9.070 9.451 ( 1.091 -10.595 -1.545) 10.762 9.487 ( -0.888 -5.208 0.087) 5.284 9.523 ( -0.888 -7.172 0.576) 7.249 9.585 ( 1.079 -2.078 1.548) 2.807 9.691 ( -1.165 -1.749 0.812) 2.253 9.821 ( -1.180 -2.539 2.171) 3.543 9.881 ( -1.422 -5.351 -1.779) 5.815 10.041 ( -1.494 -21.042 1.542) 21.151 10.145 ( 0.297 -16.105 -3.207) 16.423 10.163 ( -0.854 -14.692 1.480) 14.791 10.224 ( 1.247 -18.295 -1.952) 18.441 10.563 ( -1.107 17.811 -0.327) 17.849 10.819 ( 6.734 14.016 4.207) 16.109 10.859 ( -0.733 27.916 -1.460) 27.964 10.967 ( 2.511 3.184 -2.056) 4.547 11.020 ( -0.692 3.543 -2.376) 4.322 11.095 ( 1.574 -0.373 0.094) 1.621 11.203 ( -4.952 0.572 -1.469) 5.197 11.260 ( -2.147 1.679 2.348) 3.597 11.311 ( -0.842 7.743 -0.962) 7.848 11.362 ( -6.695 9.917 -1.916) 12.118 11.581 ( 1.431 14.791 13.168) 19.855 12.067 ( 0.805 6.331 0.264) 6.388 12.211 ( -0.256 5.906 -1.084) 6.010 12.285 ( 1.927 6.709 -0.224) 6.984 12.345 ( 2.130 6.918 -1.314) 7.357 12.409 ( 15.144 10.298 -14.582) 23.410 14.161 ( -0.067 8.518 0.275) 8.522 14.206 ( 0.070 7.877 -0.854) 7.923 14.344 ( 2.247 8.215 -2.329) 8.829 14.370 ( 0.907 7.877 -1.009) 7.993 14.663 ( 1.097 0.441 0.546) 1.302 14.711 ( 0.631 0.174 -2.013) 2.117 14.777 ( -1.264 1.229 1.711) 2.457 14.910 ( 0.110 3.260 -1.508) 3.594 15.018 ( -0.673 5.047 -0.227) 5.097 15.048 ( 1.907 9.409 2.691) 9.970 15.113 ( -3.366 11.909 -0.708) 12.396 15.320 ( 3.798 9.317 -0.586) 10.079 15.411 ( 1.429 9.591 0.313) 9.702 15.551 ( 6.040 3.812 -0.752) 7.182 15.739 ( -4.114 2.251 -1.417) 4.899 15.836 ( -0.280 1.216 5.848) 5.980 16.378 ( -5.974 1.843 -2.911) 6.896 16.836 ( 3.742 0.532 5.316) 6.523 17.033 ( -0.742 -1.784 1.088) 2.217 17.356 ( 4.597 5.051 -1.819) 7.068 17.502 ( 6.067 0.603 -2.700) 6.668 17.543 ( 5.392 -2.011 -0.439) 5.772 17.772 ( -8.092 -6.526 -3.899) 11.103 18.011 ( 1.619 -1.186 2.622) 3.302 18.051 ( -0.639 4.161 -0.146) 4.212 18.173 ( 1.951 3.091 0.041) 3.655 18.211 ( -1.440 4.787 -0.337) 5.010 18.411 ( 2.755 -1.316 -5.654) 6.426 18.627 ( 1.897 -1.444 0.418) 2.420 18.652 ( 3.330 -0.008 0.162) 3.334 18.733 ( -0.417 -0.897 -0.946) 1.369 18.777 ( 1.464 -1.292 -0.524) 2.022 21.639 ( -1.244 1.745 -1.023) 2.374 21.715 ( 2.236 1.350 0.847) 2.746 21.762 ( -2.639 -0.055 0.907) 2.791 21.961 ( -3.590 -2.136 2.167) 4.706 22.213 ( 1.641 0.049 -0.273) 1.665 22.343 ( -0.859 -0.231 -1.448) 1.699 22.352 ( 1.900 -3.595 0.496) 4.096 22.505 ( 2.759 -6.649 1.169) 7.293 22.642 ( -3.389 -4.795 -3.376) 6.773 22.711 ( -0.613 -7.392 3.268) 8.106 22.951 ( -3.914 -0.338 -0.934) 4.038 23.065 ( -0.405 -1.528 -0.480) 1.652 23.098 ( -1.436 -3.882 3.119) 5.183 23.199 ( -1.943 -3.885 3.462) 5.555 23.271 ( -0.301 -3.349 -0.722) 3.439 23.335 ( 0.902 -5.504 -2.021) 5.932 ======================= Grid point 70 (34/66) ======================= q-point: ( 0.00 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.670 18.600 6.376) 19.674 1.592 ( 1.876 19.269 6.453) 20.407 1.751 ( -1.902 14.257 -0.104) 14.384 1.851 ( 5.280 13.985 -5.862) 16.057 1.930 ( -2.172 9.332 -6.991) 11.861 2.008 ( 0.059 15.966 -6.568) 17.265 2.414 ( 2.906 8.278 0.156) 8.774 2.476 ( -3.414 10.577 0.324) 11.119 2.562 ( -0.699 7.309 2.378) 7.718 2.676 ( -2.918 4.642 1.342) 5.645 2.706 ( 2.701 -0.615 -1.528) 3.163 2.760 ( 0.829 4.810 0.490) 4.905 2.867 ( 3.099 4.999 2.126) 6.254 2.890 ( -2.266 -7.294 1.607) 7.805 2.911 ( -1.529 2.972 -3.115) 4.569 3.079 ( -1.081 -1.890 1.444) 2.613 3.113 ( 1.546 2.908 -1.837) 3.771 3.135 ( -0.132 -0.742 -2.659) 2.764 3.300 ( -2.976 4.783 3.721) 6.751 3.357 ( -2.423 2.747 2.463) 4.414 3.385 ( -0.204 2.194 -0.391) 2.238 3.468 ( 1.318 -0.627 -0.675) 1.608 3.551 ( 3.310 3.728 3.190) 5.919 3.615 ( -1.279 -0.166 -1.088) 1.687 3.863 ( -1.448 -4.550 0.087) 4.776 3.881 ( 1.356 -2.460 0.884) 2.945 3.986 ( -2.774 -3.045 -2.430) 4.782 4.063 ( 2.607 -6.641 5.614) 9.079 4.197 ( -2.192 -3.313 -3.930) 5.588 4.250 ( -0.874 -3.909 4.412) 5.960 4.436 ( 3.124 8.728 0.623) 9.291 4.533 ( 3.453 -0.835 -2.549) 4.373 4.622 ( -2.138 1.249 0.795) 2.600 4.649 ( -0.784 -0.346 1.668) 1.875 4.756 ( 3.600 12.430 -0.821) 12.967 4.830 ( -1.717 -0.943 -2.723) 3.355 4.862 ( -1.869 -1.182 0.268) 2.228 4.970 ( 3.455 -0.448 0.285) 3.495 4.990 ( -0.467 -0.650 2.057) 2.207 5.043 ( 0.689 -0.537 0.201) 0.896 5.109 ( -1.739 0.237 -3.279) 3.719 5.148 ( -0.428 -6.653 0.701) 6.704 5.196 ( -4.081 -3.630 -0.346) 5.473 5.239 ( -1.529 -4.268 -3.678) 5.838 5.268 ( 1.843 -1.844 1.256) 2.894 5.338 ( 2.015 -4.987 -0.005) 5.379 5.373 ( 3.987 -5.409 -2.264) 7.091 5.465 ( 0.670 0.982 -6.064) 6.180 5.551 ( -5.833 0.120 -2.850) 6.493 5.605 ( 0.412 -1.751 -2.550) 3.121 5.700 ( -3.405 3.201 4.503) 6.490 5.774 ( 5.176 0.566 5.202) 7.360 5.815 ( -0.183 1.999 -2.024) 2.850 5.925 ( 2.012 3.632 -3.977) 5.750 6.028 ( 0.624 0.686 2.423) 2.594 6.074 ( -0.141 -0.809 2.028) 2.188 6.220 ( -0.758 4.701 3.082) 5.672 6.254 ( -1.950 -1.728 3.217) 4.140 6.366 ( -5.891 2.226 -2.485) 6.770 6.397 ( 0.107 -1.114 -2.634) 2.862 6.496 ( 1.772 2.997 1.847) 3.941 6.544 ( 2.128 2.512 2.076) 3.892 6.551 ( 3.867 3.115 5.374) 7.317 6.570 ( -1.092 1.711 1.371) 2.450 6.694 ( 2.264 5.490 -2.684) 6.517 6.818 ( -5.778 -0.838 -4.236) 7.213 6.919 ( 2.236 1.488 3.752) 4.615 6.972 ( -1.106 -2.624 -0.079) 2.849 7.040 ( 5.599 -3.319 2.793) 7.083 7.072 ( -2.162 1.276 1.237) 2.799 7.130 ( 0.876 2.636 -1.535) 3.174 7.195 ( -4.146 -8.489 -1.556) 9.575 7.238 ( 2.713 0.998 -1.453) 3.235 7.303 ( -1.844 -0.253 -0.117) 1.865 7.395 ( 0.332 -4.861 0.417) 4.890 7.426 ( -0.149 -1.528 -1.376) 2.062 7.462 ( 2.019 -1.987 -2.977) 4.109 7.564 ( 0.064 -2.293 -4.003) 4.613 7.695 ( -0.778 -3.841 1.696) 4.270 7.813 ( -1.766 -3.570 -0.887) 4.081 7.960 ( -2.162 -2.725 1.510) 3.793 7.983 ( 0.436 -3.120 1.923) 3.690 8.045 ( 1.887 -2.743 1.037) 3.487 8.065 ( 0.002 -0.530 -1.754) 1.833 8.264 ( -0.434 1.657 3.987) 4.340 8.420 ( 0.617 0.463 -0.246) 0.810 8.490 ( 0.505 2.004 -0.038) 2.067 8.535 ( -0.624 0.456 0.690) 1.036 8.811 ( 0.197 0.518 -0.469) 0.726 8.845 ( 0.154 -1.862 0.036) 1.869 8.868 ( 1.511 -5.274 -0.710) 5.532 8.889 ( -1.121 -2.547 -0.725) 2.875 9.215 ( -2.968 -10.643 0.797) 11.077 9.253 ( 2.438 -13.228 0.196) 13.452 9.298 ( 2.884 -8.167 0.423) 8.672 9.367 ( -2.838 -4.967 -1.125) 5.830 9.497 ( -1.235 -10.446 1.233) 10.590 9.563 ( 3.260 -8.732 -0.540) 9.337 9.624 ( -3.389 -9.672 1.956) 10.434 9.723 ( 1.655 -10.910 -2.090) 11.231 9.847 ( -1.263 -3.187 2.408) 4.189 9.917 ( -1.173 -5.605 0.173) 5.729 9.944 ( 1.243 -6.664 -1.594) 6.964 9.992 ( 0.961 -3.564 -1.815) 4.113 10.811 ( 1.520 6.670 2.431) 7.260 10.938 ( -3.023 2.534 -3.730) 5.429 11.043 ( 0.333 -1.257 0.942) 1.606 11.057 ( 2.324 0.170 -0.294) 2.348 11.090 ( -0.670 1.537 0.928) 1.916 11.173 ( -0.042 3.879 -2.752) 4.756 11.228 ( -0.226 -1.037 0.680) 1.260 11.289 ( -1.238 -1.736 -1.015) 2.361 11.477 ( 3.238 22.454 0.448) 22.691 11.621 ( -0.224 20.461 -3.232) 20.716 11.914 ( -4.582 13.000 16.544) 21.534 12.163 ( 0.655 2.705 2.703) 3.880 12.260 ( -0.684 1.976 -2.940) 3.607 12.396 ( -0.260 2.085 1.240) 2.440 12.468 ( 1.041 4.223 -1.840) 4.722 12.594 ( 2.400 1.707 -12.738) 13.074 14.320 ( 0.285 7.198 0.345) 7.212 14.357 ( 0.125 7.909 -1.277) 8.013 14.459 ( -0.131 3.825 0.760) 3.902 14.535 ( 0.605 7.223 -1.988) 7.516 14.669 ( -0.812 0.912 0.159) 1.232 14.715 ( 0.321 0.363 -1.260) 1.350 14.800 ( 0.567 -0.344 4.087) 4.141 14.925 ( -0.654 -0.009 -2.393) 2.481 15.169 ( 1.856 9.598 1.529) 9.894 15.254 ( -3.997 10.502 -2.181) 11.447 15.333 ( 1.004 6.071 3.822) 7.244 15.457 ( 3.356 2.915 -0.741) 4.507 15.575 ( -1.935 3.375 2.358) 4.549 15.663 ( -1.034 6.833 -1.926) 7.174 15.713 ( -0.281 0.590 -0.095) 0.660 15.810 ( -0.925 1.852 -1.671) 2.660 16.501 ( 6.702 7.263 5.389) 11.256 16.749 ( -8.207 2.460 -6.841) 10.963 17.122 ( 2.872 1.426 10.946) 11.406 17.502 ( -5.771 -5.614 -4.684) 9.315 17.511 ( 4.648 -1.126 -0.687) 4.832 17.538 ( 0.747 3.225 -0.862) 3.421 17.684 ( 5.165 -0.921 3.715) 6.428 17.928 ( -6.152 -0.866 -7.153) 9.475 18.167 ( 1.112 4.401 2.320) 5.098 18.252 ( -1.399 3.826 -1.087) 4.217 18.281 ( 1.177 3.167 0.319) 3.394 18.352 ( 0.474 -1.549 -4.319) 4.612 18.614 ( 0.019 -2.155 1.211) 2.472 18.665 ( 1.090 -2.429 0.661) 2.743 18.692 ( 0.298 -3.267 -2.389) 4.059 18.707 ( -1.654 -3.294 -1.175) 3.869 21.692 ( 1.974 1.075 1.606) 2.762 21.737 ( -0.724 0.424 -0.166) 0.855 21.779 ( 0.760 0.721 1.994) 2.252 21.865 ( -1.197 -0.821 -1.164) 1.860 22.248 ( -0.313 2.014 0.585) 2.121 22.314 ( -0.007 -0.305 -2.741) 2.758 22.392 ( 2.417 -2.090 1.543) 3.549 22.454 ( -1.709 -2.815 -1.428) 3.589 22.508 ( -4.144 -4.174 1.430) 6.054 22.536 ( 2.983 -4.753 -0.089) 5.612 22.933 ( 0.977 -0.035 1.315) 1.638 22.993 ( -1.072 -1.957 -1.142) 2.507 23.061 ( 1.035 -3.582 3.029) 4.804 23.101 ( -1.398 -4.133 0.818) 4.439 23.194 ( -0.041 -3.096 -0.643) 3.162 23.238 ( 0.685 -4.707 -1.633) 5.029 ======================= Grid point 71 (35/66) ======================= q-point: ( 0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 1.427 12.196 3.857) 12.871 1.687 ( 2.969 14.868 7.811) 17.056 1.727 ( 0.766 15.838 1.036) 15.890 1.847 ( 0.685 18.065 -6.431) 19.188 1.906 ( 1.662 12.616 -11.981) 17.478 1.988 ( 0.442 17.860 -1.981) 17.975 2.392 ( -7.437 6.235 -4.068) 10.523 2.472 ( -0.243 9.857 4.757) 10.947 2.530 ( -0.545 7.585 0.889) 7.657 2.613 ( -4.656 4.921 3.984) 7.859 2.738 ( 1.384 4.890 -1.959) 5.446 2.761 ( 0.968 0.209 1.057) 1.448 2.820 ( -2.544 -3.353 -2.339) 4.815 2.879 ( -0.332 0.271 2.085) 2.128 2.991 ( 6.638 4.636 -2.832) 8.577 3.067 ( -0.981 0.568 1.401) 1.802 3.114 ( -0.427 8.147 -0.505) 8.174 3.142 ( 1.866 -5.419 -2.278) 6.167 3.272 ( -2.454 3.452 2.630) 4.986 3.294 ( -3.901 0.125 2.772) 4.787 3.399 ( 0.104 2.198 2.617) 3.419 3.505 ( 1.731 -1.651 -0.110) 2.395 3.556 ( -1.015 -3.902 -1.659) 4.360 3.662 ( 4.787 4.390 0.172) 6.497 3.807 ( -2.358 -1.263 -0.794) 2.790 3.881 ( -3.608 -0.158 5.549) 6.621 3.967 ( 2.226 -4.081 -0.592) 4.686 4.090 ( -2.034 -2.042 3.489) 4.525 4.148 ( -0.030 -5.370 -5.334) 7.569 4.285 ( 1.197 -3.020 4.562) 5.601 4.470 ( -6.014 2.532 2.144) 6.868 4.545 ( 2.087 4.191 -0.425) 4.701 4.586 ( 1.370 -4.168 -6.386) 7.748 4.667 ( 3.169 0.234 0.946) 3.315 4.770 ( -6.547 3.585 0.062) 7.465 4.782 ( -0.611 6.638 0.081) 6.667 4.831 ( 0.437 1.606 0.144) 1.671 4.924 ( -6.128 -4.075 -1.089) 7.440 4.978 ( -2.102 0.116 1.098) 2.375 5.076 ( 4.001 -3.722 3.523) 6.502 5.124 ( -0.910 -1.465 -0.194) 1.735 5.161 ( 4.280 -4.535 -0.217) 6.239 5.197 ( 3.358 -3.261 -6.497) 8.007 5.238 ( 5.909 3.018 -1.344) 6.769 5.296 ( -2.506 -4.785 0.332) 5.412 5.364 ( 0.024 -4.513 -1.932) 4.909 5.421 ( 4.149 -3.071 0.121) 5.163 5.466 ( -1.473 1.037 -4.338) 4.698 5.537 ( 5.430 -1.175 -1.590) 5.778 5.588 ( -0.640 3.578 3.567) 5.092 5.667 ( 1.396 -0.621 -1.354) 2.042 5.824 ( 2.460 -3.603 -1.196) 4.523 5.888 ( 1.091 2.793 1.731) 3.462 5.928 ( 0.681 2.665 -2.988) 4.061 6.033 ( -4.704 -1.420 -2.468) 5.499 6.083 ( 4.484 2.675 0.640) 5.260 6.199 ( -3.467 1.576 4.819) 6.142 6.228 ( -4.964 5.841 2.892) 8.193 6.263 ( 0.723 -0.005 4.882) 4.935 6.400 ( 0.888 -0.075 -1.058) 1.383 6.473 ( -2.518 1.554 0.959) 3.110 6.564 ( -4.723 6.185 1.830) 7.995 6.599 ( -0.216 2.920 0.535) 2.977 6.640 ( 3.882 -0.922 1.359) 4.215 6.704 ( -0.824 1.289 -5.191) 5.412 6.744 ( 2.514 -2.056 2.504) 4.101 6.901 ( -5.090 -2.625 -0.516) 5.751 6.931 ( -2.357 -0.744 1.160) 2.730 7.006 ( -3.068 2.700 -0.342) 4.101 7.061 ( -1.201 -0.138 -0.723) 1.409 7.152 ( 1.186 -4.165 1.496) 4.582 7.238 ( 5.405 -0.951 1.402) 5.664 7.284 ( 3.499 1.534 -0.673) 3.879 7.295 ( -0.693 -3.813 -2.482) 4.602 7.380 ( 0.754 -1.991 -0.724) 2.249 7.462 ( 0.042 -0.089 -2.228) 2.230 7.477 ( 3.342 -3.371 -1.770) 5.066 7.591 ( 4.232 -2.276 -2.405) 5.373 7.711 ( 1.299 -3.129 2.693) 4.328 7.765 ( -2.511 -4.668 -1.199) 5.434 7.913 ( -2.794 -4.144 1.512) 5.222 7.994 ( -0.594 -2.106 1.092) 2.446 8.006 ( -3.160 -2.790 0.779) 4.287 8.109 ( 1.824 -1.065 -1.342) 2.502 8.272 ( -0.175 1.430 3.565) 3.845 8.431 ( -1.411 3.182 2.267) 4.154 8.456 ( -0.966 1.164 -2.174) 2.649 8.544 ( 0.208 1.714 -0.180) 1.736 8.789 ( -1.392 -1.871 0.169) 2.338 8.861 ( -1.168 -0.874 -0.675) 1.608 8.871 ( 1.855 -2.208 -0.276) 2.897 8.902 ( 1.821 -3.928 -0.174) 4.333 9.151 ( -3.081 -13.735 0.969) 14.109 9.297 ( -3.105 -8.362 -2.962) 9.399 9.321 ( 3.771 -10.888 -0.012) 11.522 9.349 ( 1.335 -8.762 1.163) 8.939 9.484 ( -0.627 -7.883 1.680) 8.085 9.571 ( -1.855 -11.515 1.924) 11.821 9.640 ( 3.896 -7.097 -1.224) 8.188 9.732 ( -0.122 -12.438 -0.561) 12.451 9.834 ( -1.069 -2.364 1.753) 3.131 9.890 ( -0.923 -4.606 -0.898) 4.783 9.955 ( 0.209 -8.090 -0.052) 8.093 10.018 ( 2.279 -2.750 -2.016) 4.101 10.863 ( -0.547 5.301 -0.313) 5.338 10.868 ( 0.655 5.335 1.027) 5.473 10.999 ( -3.511 0.844 -0.716) 3.681 11.077 ( -0.721 1.778 0.693) 2.040 11.102 ( 1.503 -1.971 -1.457) 2.875 11.179 ( -1.957 3.357 -0.895) 3.987 11.202 ( 1.077 1.741 -1.310) 2.430 11.281 ( 0.909 -1.386 -0.246) 1.676 11.579 ( 5.799 20.432 2.317) 21.365 11.682 ( 8.701 18.425 -5.192) 21.028 11.862 ( -8.704 11.941 16.048) 21.815 12.204 ( 2.163 2.460 3.445) 4.754 12.246 ( 0.700 2.803 -2.848) 4.056 12.375 ( -2.211 2.088 0.523) 3.086 12.470 ( -0.592 3.913 -1.624) 4.278 12.499 ( -5.557 5.290 -11.938) 14.191 14.327 ( 0.160 7.221 0.221) 7.226 14.355 ( 0.420 7.433 -1.251) 7.549 14.451 ( -1.090 4.585 1.067) 4.832 14.537 ( 0.535 7.367 -2.077) 7.673 14.653 ( -0.785 1.195 0.610) 1.555 14.728 ( 1.354 0.359 -0.838) 1.632 14.822 ( -0.145 -1.026 3.605) 3.751 14.898 ( -0.783 0.535 -2.431) 2.610 15.174 ( -2.797 9.380 -1.422) 9.891 15.233 ( 3.303 10.052 3.135) 11.036 15.331 ( -1.936 3.992 1.958) 4.850 15.418 ( -5.345 3.030 -2.582) 6.664 15.599 ( -2.267 4.270 -0.017) 4.834 15.616 ( 0.412 5.738 0.240) 5.758 15.716 ( 4.374 7.878 0.601) 9.031 15.891 ( 6.052 0.045 0.812) 6.107 16.525 ( -7.379 5.505 -4.803) 10.384 16.754 ( 12.035 3.410 5.890) 13.826 17.166 ( -2.856 4.158 7.162) 8.760 17.371 ( -6.039 -3.989 -3.833) 8.190 17.533 ( 0.089 2.540 -2.430) 3.517 17.579 ( -4.668 0.628 0.558) 4.743 17.641 ( -2.903 -2.752 -5.411) 6.729 17.862 ( 2.109 -3.431 1.571) 4.323 18.162 ( -1.678 3.992 0.363) 4.345 18.232 ( -0.590 3.988 -0.259) 4.040 18.300 ( 1.388 3.570 -0.421) 3.853 18.362 ( 1.458 -0.221 -2.580) 2.972 18.611 ( -1.487 -2.032 1.159) 2.772 18.652 ( -1.646 -1.611 0.019) 2.303 18.674 ( -0.247 -2.193 -1.823) 2.862 18.706 ( 1.070 -3.082 0.342) 3.280 21.717 ( -1.073 1.612 -1.689) 2.570 21.735 ( 1.299 0.480 1.058) 1.743 21.777 ( -0.270 -0.479 1.224) 1.342 21.900 ( 3.034 -2.958 0.742) 4.302 22.224 ( -1.371 1.044 -0.564) 1.813 22.298 ( -0.844 0.124 -0.424) 0.952 22.359 ( -4.601 0.973 0.732) 4.760 22.433 ( 0.365 -5.082 -1.736) 5.383 22.468 ( 0.157 -3.012 0.972) 3.169 22.620 ( 3.072 -5.668 0.553) 6.471 22.966 ( 0.447 -2.296 -0.171) 2.345 22.997 ( 2.871 -0.650 0.056) 2.944 23.049 ( -2.099 -4.360 1.184) 4.982 23.114 ( 1.047 -3.736 2.375) 4.549 23.202 ( 0.849 -2.996 -0.617) 3.174 23.245 ( 0.857 -4.531 -1.674) 4.906 ======================= Grid point 72 (36/66) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 1.879 9.173 -0.285) 9.367 1.655 ( -4.519 12.133 1.433) 13.027 1.792 ( 1.645 16.330 -3.061) 16.696 1.882 ( 0.519 18.091 -1.612) 18.170 1.925 ( 6.584 19.242 -6.772) 21.436 2.003 ( -0.397 13.540 -2.311) 13.742 2.185 ( -4.631 7.889 -0.083) 9.149 2.413 ( -7.188 11.814 5.880) 15.027 2.542 ( 0.958 6.485 -0.778) 6.601 2.634 ( 4.054 4.727 2.536) 6.724 2.720 ( -1.357 3.836 -0.085) 4.070 2.752 ( -2.455 1.276 3.329) 4.329 2.846 ( 2.684 -2.196 -2.096) 4.053 2.919 ( 3.721 -0.883 0.201) 3.829 3.036 ( -2.259 8.001 -1.030) 8.377 3.061 ( 1.696 2.661 -4.341) 5.366 3.127 ( 2.046 10.415 -1.107) 10.672 3.154 ( -2.745 -5.791 0.969) 6.481 3.188 ( -2.032 -5.826 3.310) 7.002 3.280 ( -1.396 2.324 1.658) 3.178 3.423 ( 1.278 0.335 2.660) 2.970 3.480 ( -1.868 -0.416 1.057) 2.186 3.585 ( 3.225 -3.752 -2.250) 5.435 3.718 ( 0.607 2.395 -1.258) 2.773 3.790 ( 0.800 -0.737 0.325) 1.135 3.872 ( -0.917 -3.926 2.191) 4.589 3.998 ( -0.071 1.347 3.362) 3.623 4.043 ( -3.793 2.454 5.070) 6.791 4.180 ( 6.487 -4.041 -5.886) 9.646 4.299 ( -2.212 -3.436 5.192) 6.607 4.323 ( -5.610 -3.603 -1.305) 6.794 4.548 ( -2.155 -6.832 -9.165) 11.632 4.588 ( -2.613 -0.090 1.742) 3.142 4.669 ( -0.330 8.189 2.944) 8.708 4.741 ( 1.132 4.410 0.352) 4.566 4.761 ( 1.266 -0.197 -4.276) 4.463 4.824 ( -1.248 4.224 2.808) 5.224 4.894 ( 3.250 -2.139 0.026) 3.891 4.953 ( -0.830 -2.259 1.586) 2.883 5.082 ( -2.046 -5.645 2.418) 6.473 5.141 ( -3.696 -0.681 -2.438) 4.479 5.169 ( 1.132 -0.151 -0.698) 1.338 5.228 ( -0.491 -7.180 4.199) 8.332 5.297 ( 2.841 -3.950 -2.553) 5.495 5.341 ( 1.159 -3.779 -5.918) 7.117 5.384 ( 0.674 2.340 -5.953) 6.432 5.415 ( 8.118 1.441 1.055) 8.312 5.526 ( 2.163 1.350 2.284) 3.423 5.569 ( 2.399 -2.749 1.818) 4.076 5.636 ( -1.413 2.671 1.406) 3.333 5.747 ( 7.152 -2.297 -2.524) 7.924 5.814 ( -3.215 4.030 -2.820) 5.876 5.879 ( 2.283 -1.572 -5.546) 6.200 5.903 ( -4.515 -1.083 -4.393) 6.392 5.990 ( 2.686 1.774 2.819) 4.279 6.134 ( 1.161 4.464 2.153) 5.091 6.137 ( -4.564 1.717 2.124) 5.319 6.191 ( -3.087 1.652 4.802) 5.943 6.332 ( 0.088 4.506 5.569) 7.164 6.362 ( -3.131 0.515 0.662) 3.242 6.449 ( 0.084 0.617 2.042) 2.135 6.458 ( -2.552 0.084 0.412) 2.587 6.580 ( -0.552 1.904 -0.194) 1.992 6.694 ( 1.535 0.571 -2.815) 3.257 6.705 ( 0.412 2.364 -1.254) 2.707 6.767 ( -0.716 -4.792 1.791) 5.166 6.839 ( -1.969 3.914 -0.976) 4.489 6.884 ( -1.918 -2.675 1.281) 3.532 6.989 ( 1.531 1.317 1.969) 2.821 7.069 ( 0.803 -1.313 -0.282) 1.565 7.151 ( -0.803 -5.119 -1.294) 5.341 7.228 ( -3.326 -4.077 -3.388) 6.258 7.300 ( 1.693 0.613 0.400) 1.845 7.358 ( 1.999 -3.368 -2.704) 4.759 7.427 ( 2.921 1.254 1.153) 3.381 7.475 ( 3.221 3.571 -0.901) 4.893 7.530 ( 2.149 -3.791 0.396) 4.376 7.627 ( -2.003 -4.307 -1.236) 4.908 7.742 ( 2.572 -4.732 1.053) 5.488 7.764 ( 2.097 -1.072 -0.038) 2.355 7.878 ( -1.454 -4.431 1.847) 5.016 7.932 ( -3.176 -3.985 0.656) 5.138 7.992 ( -0.987 -1.904 0.924) 2.335 8.110 ( -0.132 -0.902 -2.779) 2.925 8.289 ( -0.147 0.763 2.897) 2.999 8.383 ( -2.778 3.565 3.112) 5.487 8.458 ( 0.176 2.620 -1.345) 2.951 8.534 ( -0.155 3.075 -1.901) 3.618 8.776 ( -0.236 -1.315 0.987) 1.661 8.841 ( -0.763 0.276 -0.385) 0.898 8.903 ( 1.416 -4.234 -0.172) 4.467 8.928 ( 0.842 -3.282 -0.310) 3.402 9.116 ( -1.113 -14.441 1.414) 14.553 9.240 ( -0.871 -10.200 -4.160) 11.050 9.357 ( -0.643 -11.059 0.895) 11.114 9.375 ( 1.807 -8.293 -1.129) 8.563 9.472 ( -1.930 -10.088 4.926) 11.391 9.586 ( 2.739 -10.595 -1.410) 11.034 9.684 ( -0.259 -8.168 1.115) 8.248 9.719 ( -0.210 -11.504 -0.566) 11.520 9.825 ( -0.390 -1.711 1.302) 2.185 9.885 ( 0.963 -5.677 -1.735) 6.014 9.951 ( -0.930 -7.190 1.194) 7.348 10.045 ( 1.352 -2.773 -2.314) 3.856 10.832 ( 0.273 7.103 -1.034) 7.183 10.914 ( -3.436 3.237 -1.196) 4.870 10.939 ( 1.838 3.588 2.849) 4.937 11.075 ( 0.385 1.958 0.501) 2.058 11.100 ( -1.186 -0.002 -1.205) 1.691 11.127 ( -0.838 1.473 -2.395) 2.934 11.248 ( 2.792 1.847 -1.312) 3.596 11.296 ( 0.801 -1.208 -1.076) 1.806 11.683 ( 1.512 19.624 6.461) 20.715 11.747 ( -8.154 13.048 12.309) 19.704 11.879 ( 13.447 13.601 -6.173) 20.098 12.222 ( -5.571 6.791 -2.586) 9.156 12.275 ( 2.855 2.622 1.596) 4.192 12.309 ( -3.793 7.223 -6.067) 10.167 12.330 ( -2.027 2.764 -0.202) 3.433 12.463 ( -0.166 3.532 -2.670) 4.430 14.326 ( -0.175 6.987 -0.023) 6.989 14.361 ( 0.592 7.330 -1.486) 7.502 14.435 ( -1.116 5.384 2.113) 5.891 14.538 ( 0.554 7.436 -2.177) 7.768 14.650 ( 0.014 1.543 1.249) 1.985 14.742 ( 0.261 1.136 -1.585) 1.967 14.826 ( -1.008 -1.640 2.763) 3.368 14.884 ( 0.621 0.564 -1.532) 1.747 15.145 ( -0.103 8.234 0.300) 8.240 15.259 ( -2.781 8.458 -1.924) 9.109 15.323 ( -0.195 3.485 2.952) 4.572 15.339 ( 0.288 6.197 -0.227) 6.208 15.545 ( -0.781 7.024 0.639) 7.096 15.655 ( 1.159 4.743 2.685) 5.572 15.797 ( 2.794 7.446 -2.970) 8.489 15.954 ( -0.934 0.426 -0.713) 1.250 16.455 ( 3.057 6.946 2.952) 8.143 17.004 ( -0.798 4.801 3.998) 6.299 17.059 ( 1.550 5.866 -4.601) 7.614 17.235 ( -6.533 -1.486 -0.814) 6.750 17.410 ( -3.615 -0.839 -0.040) 3.711 17.522 ( -0.326 2.200 -2.775) 3.556 17.719 ( 5.790 -3.634 0.656) 6.867 17.871 ( -2.808 -6.696 1.879) 7.500 18.145 ( -0.045 4.295 0.351) 4.310 18.215 ( -0.699 4.042 -1.118) 4.251 18.334 ( 2.047 3.509 -0.224) 4.068 18.366 ( -0.218 1.123 -0.824) 1.410 18.573 ( -1.696 -0.761 0.624) 1.960 18.630 ( -1.163 -1.350 -1.655) 2.432 18.680 ( 1.237 -2.317 1.195) 2.886 18.722 ( 0.240 -2.986 0.132) 2.998 21.699 ( 0.067 2.416 -0.930) 2.590 21.742 ( -0.482 1.076 -0.730) 1.387 21.799 ( 1.317 -1.628 1.695) 2.694 21.914 ( -1.455 -2.597 -0.410) 3.005 22.236 ( 2.718 -2.534 0.261) 3.725 22.269 ( -2.460 -1.226 1.170) 2.987 22.317 ( -0.613 1.208 0.044) 1.355 22.400 ( -1.051 -2.525 -3.417) 4.377 22.509 ( 1.924 -2.908 2.955) 4.570 22.640 ( -0.494 -6.371 -0.713) 6.429 22.968 ( 0.431 -2.660 -0.574) 2.755 23.007 ( -1.341 -3.504 -0.848) 3.846 23.073 ( 2.492 -2.141 2.502) 4.129 23.134 ( -0.194 -3.764 2.279) 4.405 23.209 ( 0.118 -3.072 -0.900) 3.203 23.252 ( 0.643 -4.324 -1.777) 4.719 ======================= Grid point 73 (37/66) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -3.211 11.626 -0.146) 12.062 1.613 ( -0.278 13.579 -1.059) 13.623 1.743 ( -6.308 18.082 -1.935) 19.248 1.803 ( -1.887 16.868 -0.845) 16.995 1.948 ( 0.898 14.276 -3.142) 14.646 2.041 ( 7.520 13.746 -5.428) 16.582 2.313 ( -0.792 10.292 0.245) 10.325 2.360 ( 10.374 7.169 3.076) 12.980 2.551 ( -0.980 9.595 2.142) 9.880 2.682 ( -0.092 2.542 1.674) 3.045 2.707 ( -1.222 3.069 -0.481) 3.338 2.720 ( -2.366 3.182 4.489) 5.990 2.870 ( 1.349 0.971 -2.805) 3.260 2.963 ( -2.222 5.946 0.482) 6.366 2.987 ( 1.067 2.686 -1.432) 3.225 3.059 ( 0.554 3.945 -4.582) 6.072 3.090 ( -2.051 -5.515 1.307) 6.027 3.153 ( 0.421 2.740 -0.844) 2.897 3.205 ( 0.742 -6.946 4.144) 8.123 3.290 ( 2.952 6.677 0.921) 7.358 3.440 ( -0.569 -0.406 2.622) 2.713 3.475 ( -0.338 0.775 0.561) 1.015 3.644 ( 1.967 -1.405 1.136) 2.671 3.674 ( -3.876 1.120 -5.825) 7.086 3.793 ( -2.534 -0.940 1.789) 3.241 3.853 ( 2.480 -5.897 2.890) 7.020 3.962 ( -4.793 0.447 2.647) 5.494 4.041 ( 1.051 0.875 2.946) 3.248 4.251 ( 0.381 -4.628 0.170) 4.647 4.295 ( -0.090 -4.048 3.296) 5.221 4.359 ( 11.757 2.330 -6.683) 13.723 4.418 ( -6.792 -3.556 -1.267) 7.771 4.570 ( -1.070 0.680 2.148) 2.494 4.647 ( -2.022 0.297 -2.407) 3.158 4.743 ( 2.318 6.072 -3.327) 7.301 4.817 ( 1.181 7.485 -0.088) 7.579 4.849 ( 2.470 -1.669 4.907) 5.741 4.933 ( -0.976 -4.371 -1.765) 4.813 4.968 ( 2.014 -1.372 1.133) 2.687 5.048 ( -1.430 -0.586 -3.363) 3.701 5.071 ( -1.011 -5.775 3.314) 6.734 5.157 ( -2.186 -4.709 3.366) 6.187 5.243 ( 2.099 -0.299 -3.076) 3.736 5.286 ( -2.367 -6.418 -2.684) 7.348 5.346 ( 2.188 -0.820 -2.870) 3.701 5.431 ( 2.566 -2.074 -1.634) 3.682 5.493 ( -2.807 0.142 0.165) 2.816 5.540 ( -3.247 -0.079 -0.253) 3.258 5.552 ( -0.775 3.700 -2.110) 4.330 5.620 ( 0.866 -2.259 5.204) 5.738 5.739 ( -9.760 -3.493 -3.117) 10.825 5.808 ( 3.257 -0.029 -1.834) 3.738 5.867 ( 3.452 -1.278 -5.477) 6.599 5.903 ( 5.216 10.413 -4.546) 12.502 6.039 ( -3.129 0.328 2.129) 3.799 6.079 ( 2.559 0.633 1.874) 3.234 6.106 ( -6.158 -0.993 3.120) 6.974 6.196 ( 3.263 5.131 4.051) 7.306 6.309 ( -0.891 4.865 2.619) 5.597 6.395 ( -0.684 1.629 5.223) 5.513 6.445 ( 2.725 -0.368 -0.401) 2.779 6.514 ( 4.654 0.197 2.144) 5.128 6.558 ( -1.252 4.419 -0.947) 4.690 6.657 ( -2.369 -0.821 -2.735) 3.710 6.678 ( -3.616 3.644 -0.130) 5.135 6.774 ( -2.291 -0.791 0.582) 2.493 6.834 ( 4.975 -1.618 2.047) 5.618 6.896 ( 2.150 -1.323 -0.450) 2.564 7.040 ( 0.947 -1.056 0.489) 1.501 7.055 ( -1.255 -3.215 -0.544) 3.494 7.118 ( -1.179 -2.853 -0.374) 3.110 7.189 ( 0.729 -5.746 -3.989) 7.033 7.325 ( -0.783 -0.982 -0.781) 1.479 7.352 ( 1.133 1.918 -0.344) 2.254 7.438 ( -3.844 -0.070 0.634) 3.897 7.498 ( -0.443 4.219 -1.410) 4.470 7.543 ( -2.198 -4.917 1.533) 5.600 7.601 ( 1.495 -4.636 -2.119) 5.312 7.744 ( -2.072 -3.298 0.100) 3.896 7.832 ( 4.578 -3.867 -0.062) 5.993 7.860 ( -1.459 -2.636 1.657) 3.438 7.943 ( 2.838 -4.432 1.444) 5.457 7.977 ( -0.777 -1.365 1.565) 2.217 8.104 ( 1.037 -1.286 -3.331) 3.719 8.270 ( -2.724 2.113 3.376) 4.825 8.384 ( 1.315 1.081 1.632) 2.358 8.445 ( -0.764 2.628 -0.197) 2.744 8.537 ( 1.203 3.664 -2.020) 4.353 8.782 ( 0.042 -0.993 1.273) 1.615 8.831 ( 0.152 0.279 -0.623) 0.699 8.911 ( -0.992 -3.824 -0.310) 3.963 8.925 ( -0.504 -4.256 -0.227) 4.292 9.124 ( 1.112 -13.622 2.008) 13.814 9.231 ( 1.788 -10.082 -4.930) 11.365 9.338 ( -1.338 -11.067 0.598) 11.164 9.398 ( 1.364 -8.081 -0.803) 8.234 9.456 ( -2.006 -10.035 4.407) 11.142 9.636 ( 2.291 -9.572 -2.174) 10.080 9.645 ( -2.848 -12.282 2.281) 12.813 9.715 ( -0.753 -7.673 -0.314) 7.716 9.838 ( 0.987 -3.620 1.211) 3.943 9.903 ( 1.759 -5.842 -2.328) 6.530 9.933 ( -1.520 -6.138 1.953) 6.618 10.042 ( -0.598 -3.085 -2.350) 3.924 10.834 ( -2.867 6.130 -1.332) 6.897 10.871 ( 3.218 6.205 0.627) 7.018 10.988 ( 1.356 1.184 2.090) 2.759 11.068 ( -1.109 0.906 -1.547) 2.108 11.086 ( 0.143 0.979 -0.372) 1.057 11.135 ( 2.895 3.065 -1.792) 4.581 11.263 ( -0.935 -0.674 -1.055) 1.562 11.311 ( 1.560 -0.659 -2.551) 3.062 11.581 ( -9.135 17.159 7.298) 20.764 11.790 ( 0.515 16.981 10.540) 19.993 11.956 ( -8.258 15.169 -2.836) 17.502 12.127 ( 5.017 6.645 -4.560) 9.493 12.288 ( 0.411 2.977 -0.941) 3.149 12.327 ( 3.232 3.359 -1.197) 4.813 12.360 ( 4.957 3.897 -0.770) 6.352 12.455 ( 1.395 3.803 -3.788) 5.546 14.322 ( -0.314 7.091 0.015) 7.098 14.360 ( 0.172 7.227 -1.404) 7.364 14.435 ( 0.131 5.351 1.994) 5.712 14.538 ( 0.490 7.521 -2.141) 7.835 14.664 ( 0.691 1.708 1.565) 2.418 14.728 ( -0.362 1.123 -1.946) 2.276 14.803 ( -2.324 -0.850 1.954) 3.153 14.910 ( 2.083 -0.453 -0.738) 2.256 15.172 ( 2.511 8.499 1.727) 9.029 15.193 ( -2.289 8.693 -2.263) 9.270 15.315 ( -0.927 3.554 1.254) 3.881 15.385 ( 3.098 3.975 0.338) 5.051 15.579 ( 2.308 8.341 2.556) 9.024 15.664 ( -1.129 9.246 -1.832) 9.493 15.781 ( -2.540 3.105 2.264) 4.606 15.896 ( -2.324 0.535 -3.222) 4.009 16.617 ( 4.245 8.101 7.882) 12.074 16.751 ( -7.228 4.715 -5.380) 10.169 17.106 ( -6.196 0.828 -0.575) 6.277 17.274 ( 9.490 0.919 -0.344) 9.541 17.445 ( 5.390 1.816 1.281) 5.830 17.498 ( -0.150 0.810 -3.739) 3.829 17.781 ( -5.839 -6.462 -0.505) 8.724 17.848 ( 6.506 -4.312 2.584) 8.222 18.150 ( -0.219 4.444 0.719) 4.507 18.207 ( 0.817 3.816 -1.468) 4.169 18.334 ( -1.742 3.371 -0.046) 3.795 18.379 ( 1.592 0.837 -1.123) 2.120 18.568 ( 0.660 -1.119 0.953) 1.612 18.609 ( 0.211 -0.931 -1.309) 1.620 18.710 ( 1.158 -2.745 1.080) 3.169 18.715 ( -0.814 -2.826 -0.366) 2.964 21.710 ( 0.021 1.755 -0.527) 1.833 21.716 ( -0.463 1.774 -1.261) 2.225 21.803 ( -2.315 -0.824 2.133) 3.254 21.905 ( 1.490 -2.586 -0.688) 3.063 22.225 ( -1.878 -0.304 0.172) 1.910 22.296 ( 2.007 -3.278 2.288) 4.473 22.315 ( 0.544 -1.413 -0.611) 1.633 22.385 ( 1.060 0.547 -3.141) 3.360 22.549 ( 0.314 -4.826 3.248) 5.826 22.615 ( -0.924 -5.447 -1.706) 5.782 22.968 ( -0.958 -2.768 -0.369) 2.953 22.992 ( 0.761 -2.837 -0.527) 2.985 23.092 ( -2.228 -2.628 2.147) 4.060 23.134 ( -0.599 -3.706 2.453) 4.485 23.205 ( 0.309 -3.044 -1.122) 3.259 23.248 ( -0.264 -4.270 -1.863) 4.666 ======================= Grid point 74 (38/66) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -4.079 19.904 3.263) 20.578 1.566 ( -1.783 16.306 3.019) 16.679 1.758 ( 5.592 14.184 -2.786) 15.498 1.782 ( -0.700 16.923 -1.672) 17.020 1.957 ( 1.358 11.547 -3.938) 12.275 2.070 ( -2.200 10.891 -4.442) 11.966 2.354 ( 5.295 7.729 -4.235) 10.281 2.520 ( 2.654 7.046 2.647) 7.981 2.542 ( -1.449 11.191 3.991) 11.969 2.655 ( -0.273 5.403 1.041) 5.509 2.697 ( 1.780 1.019 -2.797) 3.468 2.719 ( -0.294 4.563 3.237) 5.602 2.880 ( 0.697 -0.347 -1.921) 2.072 2.908 ( -2.976 5.491 1.010) 6.327 2.955 ( -3.367 -1.859 0.351) 3.862 3.074 ( 2.454 1.318 -3.584) 4.539 3.101 ( 1.743 0.533 -2.132) 2.805 3.140 ( -1.127 -1.812 1.060) 2.382 3.276 ( 3.684 -3.218 4.317) 6.524 3.357 ( 1.447 11.992 2.842) 12.409 3.423 ( -2.191 1.104 1.451) 2.851 3.468 ( -0.249 2.891 0.337) 2.921 3.533 ( -4.562 -4.188 -3.001) 6.881 3.652 ( -2.218 0.613 1.130) 2.564 3.813 ( 3.209 -1.068 -0.294) 3.395 3.901 ( -1.171 -4.334 0.814) 4.563 3.952 ( 4.264 -7.121 4.733) 9.555 4.047 ( -1.505 -1.162 0.355) 1.934 4.248 ( -0.792 -1.995 -2.870) 3.584 4.287 ( -4.762 -4.376 4.594) 7.932 4.365 ( 4.060 1.195 -1.569) 4.514 4.506 ( 2.246 3.417 -3.083) 5.122 4.584 ( 5.081 3.434 0.872) 6.194 4.631 ( 0.204 -2.356 1.212) 2.657 4.741 ( -1.033 7.416 -1.703) 7.678 4.850 ( 2.327 3.213 -0.111) 3.969 4.879 ( -1.191 -3.112 0.999) 3.479 4.920 ( 0.854 -2.005 -1.575) 2.689 4.967 ( 0.560 1.272 -0.974) 1.697 5.046 ( -1.331 2.077 2.251) 3.339 5.098 ( 3.549 -4.226 2.056) 5.889 5.184 ( 2.507 -7.453 0.129) 7.865 5.206 ( -4.219 -6.156 -3.155) 8.103 5.259 ( 1.531 -1.286 -4.130) 4.588 5.349 ( -3.051 -1.941 -0.520) 3.653 5.374 ( -6.020 -2.065 0.507) 6.384 5.401 ( -7.012 0.093 -3.046) 7.646 5.449 ( 0.743 -0.608 -3.196) 3.337 5.568 ( 1.893 -4.807 -0.827) 5.232 5.654 ( 0.775 0.921 0.997) 1.562 5.686 ( 2.389 -2.231 5.072) 6.034 5.786 ( -8.478 0.553 -3.068) 9.033 5.828 ( -0.402 4.422 -1.941) 4.846 5.933 ( 0.785 6.770 -4.138) 7.974 6.024 ( -1.809 0.531 1.930) 2.698 6.064 ( 1.216 0.068 -0.463) 1.303 6.161 ( 4.853 1.894 1.840) 5.525 6.283 ( -2.692 1.432 6.497) 7.177 6.300 ( 5.390 0.500 2.819) 6.104 6.444 ( 2.576 5.148 4.258) 7.160 6.468 ( 0.743 -0.096 -0.729) 1.045 6.516 ( -2.551 3.316 -0.332) 4.197 6.556 ( -4.925 2.695 -2.276) 6.059 6.604 ( -0.190 -0.284 1.724) 1.757 6.666 ( 1.727 4.439 -2.830) 5.541 6.791 ( 5.960 1.305 3.022) 6.808 6.911 ( -1.179 1.064 0.311) 1.618 6.943 ( 3.671 -3.570 1.109) 5.239 6.997 ( -1.348 -4.168 -3.417) 5.555 7.062 ( 0.764 -2.340 2.055) 3.207 7.135 ( 1.562 0.068 -1.463) 2.142 7.200 ( 2.238 -5.753 -2.409) 6.627 7.256 ( -4.705 1.047 1.366) 5.010 7.355 ( -2.722 -1.477 0.522) 3.140 7.405 ( 1.894 -2.976 -1.910) 4.011 7.461 ( -3.019 2.288 -1.253) 3.990 7.475 ( -4.092 -4.049 0.371) 5.768 7.591 ( -0.625 -2.569 -3.573) 4.445 7.715 ( -1.366 -4.256 0.125) 4.472 7.838 ( -0.903 -1.858 -0.065) 2.067 7.923 ( 4.341 -2.484 0.086) 5.002 7.984 ( 0.435 -2.377 2.483) 3.465 7.990 ( 0.856 -4.037 2.560) 4.856 8.098 ( -0.689 -1.289 -2.854) 3.206 8.252 ( -0.774 2.589 4.361) 5.131 8.414 ( 1.294 -0.759 -2.947) 3.307 8.451 ( 1.380 2.209 3.065) 4.023 8.547 ( 0.165 2.126 -0.666) 2.234 8.791 ( 0.902 0.135 0.022) 0.913 8.843 ( 1.134 -1.420 -0.486) 1.881 8.874 ( -2.030 -4.526 -0.253) 4.967 8.912 ( -0.962 -3.511 -0.309) 3.653 9.173 ( 2.963 -11.125 2.232) 11.727 9.249 ( 1.969 -9.959 -3.447) 10.721 9.304 ( -2.818 -11.680 0.021) 12.015 9.405 ( -1.017 -5.156 0.455) 5.274 9.465 ( 2.199 -10.002 1.529) 10.355 9.579 ( -3.718 -10.789 1.449) 11.503 9.668 ( -0.888 -10.509 0.926) 10.587 9.699 ( 1.000 -8.797 -2.249) 9.135 9.855 ( -0.362 -3.879 2.080) 4.417 9.921 ( -0.091 -7.032 0.886) 7.088 9.927 ( 1.483 -4.931 -1.996) 5.523 10.009 ( -1.440 -3.449 -2.117) 4.296 10.795 ( -0.678 7.428 0.303) 7.465 10.956 ( 4.577 2.633 1.431) 5.471 10.997 ( -0.735 1.501 -1.537) 2.271 11.051 ( 0.218 -0.917 -0.958) 1.343 11.088 ( 0.297 1.761 0.189) 1.796 11.198 ( 3.323 1.358 -0.278) 3.601 11.219 ( -2.556 0.554 -2.390) 3.543 11.310 ( -0.877 -1.643 -0.556) 1.944 11.476 ( -3.368 21.320 1.207) 21.618 11.715 ( -8.136 18.524 -0.107) 20.232 11.897 ( -1.240 15.550 12.861) 20.218 12.154 ( -0.302 2.775 0.944) 2.947 12.286 ( -0.570 1.913 -1.748) 2.653 12.376 ( 1.707 2.424 0.788) 3.068 12.446 ( 2.645 3.930 -2.350) 5.288 12.526 ( 9.139 3.136 -10.262) 14.094 14.317 ( -0.125 7.088 0.160) 7.090 14.359 ( 0.252 7.783 -1.137) 7.870 14.450 ( 0.525 4.323 1.120) 4.497 14.536 ( 0.297 7.405 -2.050) 7.690 14.676 ( -0.057 1.108 0.367) 1.168 14.722 ( 0.109 1.052 -1.450) 1.795 14.778 ( -0.758 -0.558 3.152) 3.289 14.934 ( 0.712 -0.316 -1.316) 1.530 15.157 ( -0.625 8.725 -0.636) 8.770 15.255 ( 4.598 9.355 3.063) 10.864 15.304 ( -0.868 6.467 0.557) 6.548 15.426 ( 0.642 3.052 -1.556) 3.485 15.613 ( -1.142 5.953 1.519) 6.249 15.620 ( 1.420 6.977 -1.800) 7.344 15.758 ( -2.440 0.878 0.139) 2.597 15.857 ( -1.585 0.722 1.556) 2.335 16.477 ( -5.738 8.902 -3.163) 11.053 16.873 ( 1.423 4.013 5.443) 6.911 17.010 ( 0.015 -0.297 2.526) 2.544 17.418 ( 6.445 0.213 -1.252) 6.569 17.493 ( 2.276 -2.191 -1.388) 3.450 17.568 ( 5.989 4.722 -1.055) 7.699 17.648 ( -6.994 -5.945 -2.545) 9.526 17.973 ( 3.804 -2.945 0.676) 4.858 18.140 ( -0.183 4.923 0.068) 4.926 18.234 ( 2.198 3.349 -0.266) 4.014 18.297 ( -1.900 3.971 -0.311) 4.413 18.379 ( -0.664 -1.628 -3.039) 3.511 18.594 ( 1.306 -1.842 1.201) 2.557 18.635 ( 2.294 -1.693 -0.459) 2.888 18.696 ( -0.603 -2.764 -0.909) 2.971 18.726 ( 0.129 -3.529 -0.201) 3.537 21.676 ( -0.846 2.051 -0.500) 2.274 21.742 ( 1.205 1.188 1.021) 1.977 21.765 ( -1.540 0.514 0.268) 1.645 21.911 ( -1.819 -2.708 0.609) 3.319 22.226 ( 1.975 1.183 -0.575) 2.373 22.311 ( 0.718 -0.242 -0.674) 1.014 22.351 ( 1.650 -1.493 1.288) 2.571 22.408 ( 2.780 -1.972 -1.011) 3.555 22.538 ( -1.395 -5.797 -0.893) 6.029 22.592 ( -2.615 -4.835 1.385) 5.668 22.939 ( -1.494 -0.826 -0.196) 1.719 23.019 ( 1.636 -2.982 0.653) 3.463 23.037 ( -3.081 -2.372 0.804) 3.971 23.124 ( -1.581 -3.771 2.448) 4.765 23.206 ( -0.338 -3.216 -0.584) 3.286 23.235 ( 0.221 -4.616 -1.930) 5.008 ======================= Grid point 75 (39/66) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -0.989 18.152 4.708) 18.779 1.984 ( 2.859 15.886 4.586) 16.780 2.003 ( -3.674 15.582 4.489) 16.626 2.099 ( 4.242 13.249 -7.809) 15.953 2.212 ( -1.349 15.308 -0.961) 15.397 2.361 ( -0.293 14.504 -3.790) 14.994 2.509 ( -0.377 -7.209 3.272) 7.926 2.565 ( 2.839 4.916 -1.953) 6.004 2.646 ( 0.758 -1.092 -3.230) 3.492 2.696 ( 0.066 -0.782 -3.404) 3.493 2.731 ( -0.586 2.547 1.979) 3.278 2.771 ( -0.322 2.486 0.704) 2.604 2.832 ( -1.313 -1.089 0.235) 1.722 2.896 ( 1.917 0.514 1.981) 2.804 2.917 ( -0.640 0.821 2.613) 2.813 3.020 ( -1.646 -4.041 1.311) 4.556 3.057 ( -0.226 -4.869 -2.524) 5.489 3.103 ( -2.651 -1.363 -2.401) 3.828 3.262 ( -0.966 -7.113 2.390) 7.566 3.324 ( -1.673 -5.133 -2.207) 5.833 3.428 ( 0.222 1.917 -3.039) 3.600 3.462 ( -0.237 1.957 -1.379) 2.406 3.547 ( 0.600 -3.725 0.774) 3.851 3.616 ( 2.475 -4.299 -3.542) 6.095 3.786 ( 1.796 -1.874 2.755) 3.786 3.870 ( 1.224 1.222 4.319) 4.653 3.914 ( 2.895 -4.492 -0.406) 5.360 3.972 ( -2.494 -1.295 3.442) 4.443 4.110 ( -2.664 -5.449 0.566) 6.091 4.220 ( -0.461 2.164 -2.994) 3.723 4.402 ( -2.273 -15.758 3.379) 16.276 4.514 ( 4.925 -3.979 -4.606) 7.829 4.562 ( 0.398 -0.544 0.778) 1.029 4.650 ( -0.362 -0.526 3.370) 3.430 4.752 ( 1.116 -3.573 -4.647) 5.967 4.877 ( 0.628 0.609 0.903) 1.257 4.915 ( -0.500 0.773 0.768) 1.199 4.997 ( 0.006 3.114 1.742) 3.568 5.026 ( 0.419 -2.390 -4.444) 5.064 5.055 ( -5.722 -2.584 4.918) 7.976 5.104 ( 5.156 5.374 1.225) 7.548 5.145 ( -5.080 0.729 -5.841) 7.775 5.173 ( 0.805 -0.882 0.476) 1.285 5.273 ( 0.357 -2.793 -1.600) 3.238 5.316 ( -5.082 14.923 5.027) 16.547 5.343 ( 4.117 10.994 2.311) 11.964 5.423 ( 2.239 10.944 -2.308) 11.407 5.548 ( -2.466 1.186 -0.592) 2.800 5.577 ( -1.950 6.134 -2.062) 6.759 5.606 ( 3.088 6.238 -1.278) 7.077 5.746 ( -0.681 1.782 -0.857) 2.091 5.777 ( 4.899 0.048 1.494) 5.122 5.891 ( -0.832 4.553 -0.215) 4.633 5.969 ( 1.126 1.209 -1.247) 2.070 6.017 ( 0.739 -2.279 0.794) 2.524 6.068 ( -2.261 -1.798 -0.149) 2.893 6.214 ( -0.318 -0.019 0.214) 0.383 6.310 ( -0.251 1.495 3.593) 3.900 6.336 ( 0.837 -2.117 -2.836) 3.637 6.396 ( -4.029 -1.317 -1.601) 4.531 6.479 ( -0.275 -1.984 2.045) 2.862 6.577 ( 0.031 3.273 3.701) 4.941 6.645 ( -0.064 3.011 -0.420) 3.041 6.649 ( 2.945 5.807 3.294) 7.297 6.751 ( -5.677 -6.522 -4.884) 9.931 6.806 ( 0.448 5.392 -2.411) 5.924 6.872 ( -0.657 -5.282 1.782) 5.613 6.931 ( -1.439 -1.439 2.168) 2.974 6.952 ( 4.523 -8.173 2.189) 9.594 7.042 ( 0.592 -3.706 -1.742) 4.137 7.113 ( 0.691 1.848 -0.384) 2.010 7.150 ( 2.565 -0.797 -2.933) 3.977 7.213 ( 2.816 -2.043 -0.125) 3.482 7.273 ( -0.597 -3.801 2.489) 4.583 7.360 ( 0.231 2.204 2.765) 3.544 7.404 ( -2.228 -0.749 -1.958) 3.059 7.494 ( 0.567 3.016 -3.578) 4.714 7.552 ( 0.295 1.277 -3.060) 3.328 7.626 ( -1.451 -3.554 2.164) 4.407 7.726 ( -2.630 -5.377 -1.527) 6.177 7.919 ( -1.409 -0.441 2.057) 2.532 7.979 ( 1.162 -2.712 1.867) 3.491 7.984 ( 0.984 2.304 0.221) 2.515 8.090 ( 0.074 1.861 -2.676) 3.260 8.289 ( -1.200 0.753 2.131) 2.559 8.391 ( 2.066 -3.415 -2.292) 4.602 8.499 ( -0.155 -1.588 -0.218) 1.611 8.530 ( 0.191 -0.405 0.565) 0.721 8.701 ( 2.037 -7.465 0.358) 7.746 8.777 ( -3.444 -4.137 4.027) 6.723 8.790 ( 1.635 -5.079 -0.099) 5.337 8.849 ( 0.421 -0.540 -0.280) 0.740 9.011 ( -3.523 -6.530 1.476) 7.566 9.068 ( 0.818 -7.224 3.420) 8.035 9.160 ( 1.031 -4.799 -2.155) 5.360 9.293 ( -0.968 -4.630 -3.156) 5.687 9.374 ( 2.993 -2.259 -0.623) 3.801 9.406 ( 1.038 -5.087 -1.279) 5.348 9.483 ( -4.085 -4.949 1.043) 6.501 9.519 ( 1.467 -7.901 -0.392) 8.046 9.826 ( -0.550 0.553 1.068) 1.322 9.866 ( -0.001 -1.440 1.443) 2.039 9.910 ( -0.321 0.807 -0.828) 1.200 9.960 ( 0.890 -1.171 -1.270) 1.943 10.906 ( 0.818 3.944 1.174) 4.195 10.970 ( -1.109 1.212 -1.853) 2.476 11.015 ( -0.665 -1.455 0.556) 1.694 11.035 ( 1.256 -1.734 -0.536) 2.207 11.124 ( -0.596 1.762 1.327) 2.285 11.195 ( -0.308 -1.562 0.618) 1.708 11.210 ( 1.136 0.173 -2.340) 2.607 11.247 ( -0.450 -2.172 -1.218) 2.531 11.837 ( 1.497 14.228 1.554) 14.391 11.945 ( 0.354 12.330 -2.125) 12.517 12.097 ( -3.511 4.793 7.066) 9.232 12.205 ( -0.737 2.646 5.654) 6.285 12.265 ( 0.124 -0.767 -2.449) 2.569 12.393 ( -0.627 -2.130 2.308) 3.203 12.534 ( 1.235 2.820 -3.369) 4.564 12.602 ( 2.039 -0.560 -8.472) 8.732 14.435 ( 0.391 4.773 0.519) 4.817 14.479 ( -0.297 3.862 -1.153) 4.041 14.535 ( -0.283 4.248 2.529) 4.952 14.615 ( -0.134 1.142 -0.288) 1.186 14.701 ( 0.054 1.547 -0.208) 1.562 14.726 ( -0.362 0.608 -0.194) 0.733 14.801 ( 0.460 1.357 2.199) 2.625 14.908 ( -0.250 -1.753 -2.143) 2.780 15.317 ( 1.925 5.334 1.533) 5.874 15.391 ( 0.571 1.510 2.275) 2.790 15.401 ( -3.983 4.210 -2.177) 6.191 15.474 ( 0.314 -0.550 -1.080) 1.252 15.631 ( 0.776 2.576 2.254) 3.510 15.705 ( 2.766 -0.966 1.417) 3.255 15.778 ( -1.439 4.043 -2.833) 5.143 15.835 ( -1.352 0.641 -1.605) 2.194 16.710 ( 5.016 13.127 2.278) 14.236 16.859 ( -7.064 8.174 -5.786) 12.255 17.137 ( 3.238 -0.620 8.084) 8.731 17.352 ( -3.859 -9.399 -3.684) 10.808 17.485 ( 2.270 -0.600 3.017) 3.823 17.559 ( 3.993 -1.771 3.464) 5.575 17.721 ( -0.028 4.322 -1.254) 4.501 17.888 ( -3.845 -3.205 -6.649) 8.323 18.250 ( 0.760 3.922 1.376) 4.225 18.313 ( -0.599 1.540 -1.388) 2.158 18.334 ( 1.019 1.807 -0.079) 2.075 18.339 ( -0.447 1.450 -0.125) 1.522 18.575 ( -0.134 -1.579 1.137) 1.950 18.608 ( 0.804 -3.065 0.554) 3.217 18.630 ( 0.075 -2.781 -1.381) 3.106 18.642 ( -0.692 -3.221 -0.810) 3.392 21.717 ( 0.853 1.307 0.869) 1.786 21.743 ( -0.142 0.078 0.334) 0.371 21.798 ( 0.024 1.214 0.559) 1.337 21.847 ( -0.564 -1.079 -0.978) 1.562 22.278 ( -1.165 0.997 0.215) 1.548 22.322 ( 2.411 0.935 -1.905) 3.211 22.350 ( -1.042 -2.024 0.948) 2.466 22.399 ( 1.274 -2.453 -1.316) 3.062 22.454 ( -3.241 -1.122 1.383) 3.698 22.479 ( 1.693 -1.917 -0.007) 2.558 22.938 ( 0.700 0.712 0.537) 1.134 22.963 ( -0.924 -0.951 -0.352) 1.372 23.001 ( 0.674 -2.590 1.613) 3.125 23.025 ( -1.117 -3.511 0.352) 3.701 23.147 ( 0.096 -1.679 -0.384) 1.725 23.165 ( 0.494 -2.734 -0.908) 2.922 ======================= Grid point 76 (40/66) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -0.593 17.530 4.128) 18.020 1.939 ( -3.743 12.668 4.242) 13.874 2.084 ( 4.694 19.149 1.245) 19.755 2.165 ( 5.440 11.981 -6.173) 14.534 2.198 ( 0.748 16.453 -0.367) 16.475 2.304 ( -2.981 9.666 -3.901) 10.842 2.502 ( -3.912 1.202 0.427) 4.115 2.596 ( -1.969 3.682 -2.158) 4.700 2.613 ( 2.570 3.881 -0.819) 4.727 2.687 ( -3.743 -2.105 0.195) 4.298 2.719 ( -0.995 -3.845 -0.593) 4.016 2.742 ( -0.338 7.620 3.165) 8.258 2.827 ( 2.404 -4.547 -0.609) 5.180 2.878 ( -1.411 3.600 1.438) 4.126 2.988 ( -0.403 -5.202 2.254) 5.684 3.018 ( -1.756 -3.421 -3.330) 5.087 3.029 ( 2.600 -0.761 -1.680) 3.188 3.095 ( 3.163 -7.205 3.902) 8.783 3.229 ( -2.863 -5.920 1.128) 6.672 3.300 ( -0.252 -2.230 -0.311) 2.266 3.434 ( -0.594 1.018 -0.581) 1.314 3.464 ( 2.033 -1.034 -2.546) 3.418 3.517 ( -2.004 -1.285 -0.971) 2.571 3.635 ( 0.909 -7.345 -1.590) 7.570 3.805 ( -0.995 1.449 1.250) 2.157 3.861 ( -4.224 -1.638 -0.264) 4.538 3.954 ( 5.404 2.214 2.277) 6.268 4.020 ( 0.766 -2.836 5.941) 6.627 4.087 ( 1.449 -2.928 -3.401) 4.716 4.217 ( 1.565 -1.110 -2.305) 2.999 4.411 ( 2.377 -12.424 -2.124) 12.826 4.512 ( -11.076 -0.606 3.945) 11.773 4.526 ( -1.458 -6.161 -0.257) 6.337 4.622 ( 4.933 -5.441 -1.160) 7.435 4.717 ( -9.528 -0.464 -0.496) 9.553 4.809 ( -0.859 2.501 -3.084) 4.063 4.891 ( -4.734 -3.322 -0.926) 5.857 4.988 ( -3.827 0.471 0.243) 3.864 5.013 ( 1.948 -1.275 3.620) 4.304 5.028 ( 3.700 -3.187 0.321) 4.894 5.112 ( 0.076 -1.504 -1.395) 2.053 5.202 ( 1.259 -3.055 1.528) 3.640 5.228 ( 3.913 8.288 3.744) 9.900 5.262 ( 0.995 15.859 1.848) 15.997 5.318 ( 0.622 2.103 -2.083) 3.025 5.417 ( 4.666 11.488 -0.458) 12.408 5.474 ( 3.286 8.532 -2.322) 9.433 5.524 ( 4.643 4.322 -3.577) 7.282 5.554 ( -1.916 0.684 0.427) 2.079 5.657 ( 2.450 5.422 0.090) 5.950 5.730 ( -0.407 5.197 -0.637) 5.251 5.822 ( -1.287 5.842 1.733) 6.228 5.885 ( 2.920 -3.378 0.021) 4.465 5.976 ( -0.209 1.096 -4.588) 4.722 6.036 ( -1.201 2.425 1.287) 2.996 6.123 ( 7.329 -0.324 -1.655) 7.520 6.179 ( -2.856 -2.135 0.852) 3.666 6.275 ( -3.741 1.549 1.188) 4.220 6.330 ( -0.331 1.644 0.634) 1.793 6.381 ( 1.186 -0.102 3.878) 4.056 6.468 ( -2.336 -2.328 3.033) 4.481 6.589 ( -4.212 -1.307 -4.013) 5.962 6.609 ( -0.159 -3.656 2.143) 4.241 6.664 ( -2.672 -0.663 0.681) 2.836 6.701 ( -0.219 2.612 1.519) 3.029 6.751 ( -1.143 -0.260 -0.805) 1.422 6.838 ( -2.213 -1.275 1.493) 2.958 6.909 ( -0.635 0.530 1.344) 1.578 7.009 ( -0.484 -3.560 -2.576) 4.421 7.070 ( -1.213 0.769 1.151) 1.841 7.107 ( 3.596 -1.190 1.192) 3.971 7.185 ( 1.465 -6.108 -6.635) 9.136 7.222 ( -1.821 -1.116 -1.145) 2.423 7.282 ( 2.330 0.311 0.088) 2.352 7.374 ( 0.593 0.089 0.027) 0.600 7.432 ( 3.332 -1.459 1.036) 3.782 7.463 ( -0.404 -0.682 -3.106) 3.205 7.586 ( 0.182 -4.302 -0.264) 4.314 7.621 ( 2.610 -0.054 1.056) 2.816 7.706 ( 1.361 -1.736 -0.159) 2.212 7.885 ( -2.862 1.482 1.441) 3.530 7.968 ( -3.337 -1.136 0.933) 3.646 7.988 ( -0.300 1.086 1.863) 2.177 8.098 ( 0.954 -0.620 -2.449) 2.700 8.291 ( 0.909 0.787 1.030) 1.583 8.441 ( 3.557 -2.234 -1.333) 4.407 8.468 ( -2.544 -0.291 1.048) 2.767 8.553 ( 1.423 -1.178 -1.022) 2.111 8.715 ( -1.912 -4.335 2.182) 5.216 8.755 ( 0.799 -6.446 1.638) 6.699 8.799 ( 0.453 -2.226 -0.711) 2.380 8.882 ( 1.177 -3.082 1.697) 3.710 8.955 ( -2.376 -3.972 0.657) 4.675 9.085 ( -0.937 -11.181 1.910) 11.381 9.145 ( -1.187 -4.691 -2.158) 5.298 9.237 ( -1.604 -3.832 -3.088) 5.176 9.366 ( -4.960 -7.231 2.306) 9.067 9.413 ( 1.379 -4.015 -0.976) 4.356 9.495 ( 3.960 -5.308 -1.843) 6.874 9.546 ( 1.227 -5.465 0.652) 5.639 9.824 ( -0.089 0.921 0.801) 1.223 9.876 ( 0.057 -1.505 2.198) 2.665 9.897 ( -0.396 1.736 -1.246) 2.173 9.982 ( 1.710 -1.818 -1.444) 2.884 10.937 ( 1.484 2.928 1.761) 3.725 10.940 ( -0.854 2.889 -1.738) 3.478 10.995 ( -1.444 -0.640 0.040) 1.580 11.054 ( 0.898 -2.680 -0.787) 2.934 11.111 ( -1.009 1.645 1.008) 2.178 11.179 ( -1.820 -1.607 0.555) 2.491 11.229 ( 2.008 0.435 -2.384) 3.148 11.252 ( 1.171 -1.396 -0.622) 1.926 11.899 ( 4.012 12.259 2.059) 13.062 11.982 ( 4.061 11.727 -2.545) 12.668 12.050 ( -4.960 6.814 7.738) 11.441 12.224 ( 0.881 -0.404 3.378) 3.514 12.276 ( 1.754 0.996 -1.300) 2.400 12.376 ( -1.926 -1.706 1.639) 3.050 12.524 ( -0.851 2.010 -3.000) 3.710 12.554 ( -2.941 1.000 -7.759) 8.358 14.442 ( 0.001 4.652 0.048) 4.652 14.469 ( -0.008 4.023 -0.778) 4.098 14.535 ( -0.893 4.025 2.431) 4.786 14.612 ( -0.185 0.539 -0.046) 0.571 14.697 ( -0.173 2.599 -0.490) 2.650 14.743 ( 1.785 0.695 0.407) 1.959 14.808 ( -0.689 0.511 1.739) 1.939 14.893 ( -0.167 -1.129 -1.958) 2.266 15.310 ( -3.569 4.417 -1.356) 5.838 15.360 ( -1.056 1.249 2.032) 2.608 15.388 ( 0.524 4.187 1.707) 4.551 15.448 ( -1.640 0.449 -0.943) 1.944 15.670 ( 0.161 3.088 0.516) 3.135 15.696 ( -1.103 2.533 -1.172) 3.001 15.814 ( 4.291 2.532 -0.819) 5.049 15.875 ( 5.509 -1.379 0.311) 5.687 16.704 ( -5.363 12.331 -4.282) 14.112 16.886 ( 10.425 8.670 4.145) 14.179 17.207 ( 0.205 -1.895 5.514) 5.834 17.269 ( -2.630 -5.561 -1.520) 6.337 17.517 ( -1.182 -0.903 0.726) 1.655 17.590 ( -3.862 -2.646 -2.459) 5.287 17.653 ( -3.819 4.404 -1.590) 6.042 17.798 ( -1.480 -3.363 -1.059) 3.824 18.241 ( -1.294 3.954 0.159) 4.163 18.309 ( -0.558 3.797 -0.059) 3.838 18.343 ( 1.397 -1.401 -0.823) 2.143 18.358 ( 1.255 2.094 0.012) 2.442 18.576 ( -0.413 -1.211 1.109) 1.693 18.613 ( -0.217 -2.160 0.087) 2.173 18.625 ( -0.266 -2.486 -1.595) 2.966 18.641 ( 1.109 -3.312 0.145) 3.495 21.739 ( 0.380 0.717 -0.368) 0.891 21.747 ( 1.063 0.580 0.444) 1.289 21.787 ( -1.065 1.287 0.538) 1.755 21.855 ( 1.178 -2.013 -0.133) 2.336 22.236 ( -2.439 0.542 -0.527) 2.553 22.295 ( -3.480 -1.550 0.819) 3.897 22.369 ( 2.259 -0.341 -2.350) 3.278 22.386 ( -3.256 1.608 1.349) 3.873 22.432 ( 2.004 -1.151 -0.180) 2.318 22.521 ( 1.277 -4.538 0.327) 4.726 22.931 ( -0.684 -1.067 0.004) 1.267 22.972 ( -1.501 -2.878 -0.015) 3.246 22.996 ( 2.311 -0.063 0.956) 2.502 23.052 ( 1.501 -2.722 1.389) 3.405 23.155 ( 0.768 -1.690 -0.497) 1.922 23.173 ( 0.813 -2.745 -1.073) 3.057 ======================= Grid point 77 (41/66) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.918 16.814 3.227) 17.145 1.901 ( -1.869 13.358 2.708) 13.757 2.148 ( 2.734 19.399 -3.998) 19.995 2.213 ( 1.209 11.904 -6.326) 13.534 2.232 ( -2.625 8.686 -3.610) 9.766 2.283 ( 6.644 15.931 3.491) 17.610 2.369 ( -5.031 10.594 -1.562) 11.831 2.563 ( -4.865 2.660 -0.868) 5.613 2.599 ( -0.862 -2.939 2.475) 3.938 2.661 ( 0.579 1.230 -0.847) 1.602 2.704 ( 1.048 -0.289 0.607) 1.245 2.793 ( 2.148 2.710 2.348) 4.179 2.849 ( -2.900 -0.364 2.975) 4.171 2.887 ( 3.832 -3.020 -1.438) 5.086 2.943 ( -2.981 -10.596 4.283) 11.811 3.015 ( 1.968 -5.116 -1.143) 5.600 3.093 ( 3.557 0.849 -1.167) 3.839 3.147 ( 0.147 -4.225 1.589) 4.516 3.166 ( -4.053 0.879 0.858) 4.235 3.297 ( -0.680 -3.041 -2.027) 3.717 3.430 ( -0.203 -0.397 1.804) 1.858 3.474 ( 2.527 -2.604 -1.301) 3.855 3.512 ( 1.136 -0.842 -1.479) 2.046 3.658 ( 0.862 -7.421 -0.286) 7.476 3.770 ( -1.940 -1.528 -2.954) 3.850 3.793 ( -2.747 -0.800 1.158) 3.086 4.013 ( -0.659 -0.843 1.979) 2.249 4.083 ( 5.012 2.344 3.930) 6.787 4.138 ( 4.652 -0.461 -2.558) 5.329 4.235 ( -1.840 -4.419 -0.416) 4.804 4.296 ( -8.374 1.414 -0.331) 8.499 4.428 ( 0.323 -3.285 -6.037) 6.881 4.548 ( -5.354 -6.280 4.067) 9.200 4.561 ( 3.598 -11.668 -0.876) 12.241 4.697 ( 1.894 -4.671 -1.510) 5.262 4.768 ( -3.560 -0.545 -2.887) 4.616 4.806 ( -0.246 -5.510 0.556) 5.543 4.902 ( -3.676 -1.165 -2.246) 4.463 5.054 ( 1.414 0.616 -0.502) 1.622 5.074 ( -3.935 -3.353 5.634) 7.646 5.128 ( 0.505 -2.254 4.108) 4.713 5.197 ( 0.682 3.578 1.585) 3.972 5.276 ( 2.179 4.754 0.357) 5.242 5.304 ( 2.388 17.564 1.230) 17.769 5.362 ( 2.170 8.683 0.094) 8.951 5.480 ( 2.058 8.903 -3.895) 9.933 5.518 ( -1.083 -0.946 0.726) 1.611 5.555 ( 4.445 11.119 -2.493) 12.231 5.624 ( 5.109 4.318 -0.867) 6.745 5.696 ( 2.886 0.755 -1.955) 3.567 5.730 ( 1.029 5.461 2.699) 6.178 5.843 ( -5.702 -2.304 -4.837) 7.824 5.873 ( 1.601 1.629 -0.146) 2.289 5.937 ( -1.278 5.000 -4.606) 6.917 6.022 ( 0.998 0.188 2.949) 3.119 6.126 ( -3.652 -5.563 2.148) 6.993 6.190 ( -5.447 2.992 1.157) 6.321 6.234 ( 4.427 0.682 -2.720) 5.241 6.364 ( 2.460 0.469 3.510) 4.311 6.382 ( -0.100 1.969 3.746) 4.233 6.474 ( -0.560 3.206 2.430) 4.062 6.517 ( 0.348 3.717 3.151) 4.885 6.595 ( -2.452 -5.866 -1.133) 6.458 6.635 ( -1.994 -4.108 4.021) 6.085 6.673 ( -1.319 -0.180 0.743) 1.525 6.780 ( 2.506 2.685 -1.820) 4.098 6.812 ( -1.536 -3.276 1.484) 3.911 6.877 ( -2.368 1.066 -0.528) 2.650 7.000 ( -0.124 -1.389 -0.474) 1.473 7.051 ( -0.158 0.918 -0.015) 0.932 7.088 ( -2.708 -0.735 -6.494) 7.075 7.156 ( -0.415 -7.325 -7.901) 10.782 7.248 ( 2.194 -3.207 0.474) 3.914 7.311 ( 1.794 -2.128 -0.911) 2.929 7.406 ( 2.395 -3.206 -0.983) 4.121 7.470 ( 1.269 -2.949 -0.721) 3.290 7.494 ( 2.382 0.557 2.732) 3.667 7.566 ( -1.495 -4.002 1.407) 4.498 7.698 ( 3.662 0.830 0.161) 3.758 7.739 ( 0.432 -1.518 0.533) 1.666 7.845 ( -0.695 1.657 1.115) 2.115 7.899 ( -3.673 0.585 1.219) 3.914 7.985 ( -1.006 0.473 1.708) 2.038 8.090 ( 0.023 -2.132 -2.266) 3.112 8.321 ( 0.941 3.192 1.236) 3.550 8.422 ( -2.101 0.802 0.301) 2.269 8.496 ( 1.610 -0.459 -0.341) 1.708 8.557 ( -0.241 0.289 -0.655) 0.755 8.703 ( -0.524 -7.099 2.009) 7.397 8.765 ( -0.469 -6.336 1.341) 6.493 8.826 ( 2.226 -1.186 -0.202) 2.531 8.889 ( -0.784 -3.358 2.478) 4.246 8.931 ( -0.876 -1.248 -0.376) 1.570 9.053 ( -0.254 -9.380 -4.178) 10.271 9.127 ( -0.433 -8.247 0.530) 8.275 9.207 ( -0.882 -8.710 -2.511) 9.107 9.308 ( -2.058 -5.402 3.665) 6.844 9.417 ( 0.141 -7.928 -1.354) 8.044 9.552 ( 1.534 -3.942 0.298) 4.241 9.563 ( 0.946 -3.974 -0.521) 4.119 9.828 ( 0.122 1.325 0.626) 1.470 9.885 ( -0.123 0.065 2.415) 2.419 9.887 ( -0.125 1.059 -0.933) 1.417 10.001 ( 0.912 -2.414 -1.912) 3.212 10.928 ( 0.257 3.462 -0.945) 3.597 10.958 ( -1.108 1.523 -0.523) 1.955 10.977 ( 0.473 1.269 1.775) 2.233 11.060 ( 0.269 -2.473 -1.399) 2.854 11.106 ( 0.069 1.253 1.306) 1.811 11.149 ( -1.159 -0.040 0.506) 1.265 11.251 ( 0.835 -0.588 -1.317) 1.667 11.272 ( 1.335 -1.359 -1.627) 2.505 11.959 ( -6.323 9.285 7.108) 13.294 11.986 ( 3.295 10.013 3.632) 11.149 12.085 ( 5.851 8.094 -2.663) 10.337 12.264 ( 1.437 -0.936 2.244) 2.825 12.308 ( 1.673 1.391 -1.205) 2.487 12.347 ( -1.022 -0.415 -0.106) 1.108 12.430 ( -4.774 4.467 -5.106) 8.295 12.500 ( -0.677 0.528 -3.404) 3.510 14.438 ( -0.180 4.556 -0.298) 4.569 14.471 ( 0.468 3.860 -1.271) 4.091 14.526 ( -1.229 4.046 2.990) 5.180 14.610 ( 0.128 0.392 -0.082) 0.421 14.697 ( 0.266 2.800 0.292) 2.827 14.781 ( 1.511 0.816 0.560) 1.806 14.792 ( -1.480 0.294 0.586) 1.619 14.885 ( 0.122 -0.687 -1.589) 1.736 15.268 ( -0.466 4.256 0.347) 4.296 15.333 ( -0.987 0.066 1.331) 1.658 15.392 ( -2.396 3.789 -1.958) 4.892 15.418 ( -0.089 2.093 -0.161) 2.101 15.671 ( 1.424 5.036 1.747) 5.517 15.715 ( 1.149 1.978 2.976) 3.753 15.877 ( 2.632 1.648 -3.403) 4.607 15.941 ( 0.150 -1.462 -1.550) 2.136 16.661 ( 2.430 13.599 2.478) 14.035 17.078 ( 4.177 -1.221 0.694) 4.407 17.181 ( -5.068 5.513 -5.480) 9.280 17.218 ( -0.955 2.063 3.785) 4.415 17.397 ( -3.568 0.354 -0.726) 3.659 17.539 ( -0.322 -1.546 -0.832) 1.785 17.659 ( 3.084 -1.511 -0.666) 3.498 17.759 ( -3.721 -5.061 1.359) 6.427 18.229 ( -0.006 4.343 0.553) 4.378 18.293 ( -0.702 3.719 -0.930) 3.897 18.361 ( 0.715 -1.225 0.095) 1.421 18.380 ( 0.731 1.023 -0.142) 1.265 18.565 ( -0.725 0.245 0.456) 0.891 18.604 ( -0.620 -1.154 -1.491) 1.985 18.630 ( 0.999 -2.552 0.851) 2.870 18.658 ( 0.355 -3.430 0.065) 3.449 21.739 ( 0.351 1.578 -0.878) 1.840 21.771 ( -0.869 1.571 -0.388) 1.836 21.777 ( 1.261 -0.423 1.498) 2.003 21.863 ( -0.405 -2.571 -0.524) 2.655 22.209 ( 0.065 -0.385 0.125) 0.410 22.240 ( -2.314 -1.535 0.534) 2.828 22.348 ( -1.550 2.018 1.121) 2.781 22.393 ( 1.459 0.779 -2.382) 2.900 22.466 ( 1.197 -1.587 0.974) 2.213 22.525 ( -0.448 -5.284 -0.454) 5.322 22.924 ( -0.112 -1.651 0.075) 1.657 22.946 ( -0.898 -2.618 -0.301) 2.784 23.046 ( 1.785 -0.670 1.543) 2.453 23.075 ( 0.170 -2.282 1.596) 2.790 23.162 ( 0.194 -1.638 -0.816) 1.840 23.183 ( 0.626 -2.753 -1.402) 3.152 ======================= Grid point 78 (42/66) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -1.290 16.455 3.134) 16.800 1.902 ( 0.515 14.448 2.543) 14.679 2.103 ( -5.234 17.027 -2.280) 17.958 2.145 ( -1.964 16.167 -4.382) 16.865 2.230 ( 2.152 14.246 -1.736) 14.512 2.328 ( 2.018 12.101 -4.038) 12.916 2.468 ( 4.404 2.695 3.206) 6.078 2.492 ( 2.173 6.842 -0.912) 7.237 2.614 ( 0.741 -7.980 -0.762) 8.051 2.638 ( -0.925 -0.505 -1.812) 2.096 2.717 ( -0.752 4.553 0.928) 4.707 2.793 ( -3.314 1.423 4.865) 6.056 2.859 ( 2.234 -2.289 -0.527) 3.242 2.880 ( -1.827 -6.471 2.536) 7.187 2.994 ( 3.939 -2.924 2.963) 5.731 3.052 ( -0.692 -0.861 -0.380) 1.168 3.103 ( -1.085 -1.222 -0.901) 1.865 3.116 ( -1.810 -2.053 -0.697) 2.824 3.156 ( 1.994 -0.184 2.919) 3.540 3.287 ( 3.503 -5.602 -3.922) 7.683 3.444 ( 0.676 1.042 1.901) 2.271 3.495 ( -0.221 0.416 -1.193) 1.283 3.567 ( -1.901 -5.414 1.146) 5.852 3.607 ( 0.592 -6.723 -2.760) 7.291 3.749 ( -1.363 -2.215 -1.575) 3.040 3.768 ( 1.016 -0.932 0.528) 1.476 3.978 ( -6.183 0.044 0.688) 6.222 4.066 ( -4.127 3.677 1.756) 5.799 4.196 ( 1.669 -2.181 1.727) 3.245 4.231 ( 3.338 -1.932 3.339) 5.102 4.305 ( 4.907 -5.781 -8.107) 11.101 4.398 ( 1.089 0.534 -0.825) 1.467 4.518 ( 0.179 -8.873 -0.010) 8.875 4.613 ( 1.419 -2.805 0.738) 3.229 4.692 ( -3.604 -9.165 -0.864) 9.886 4.741 ( 4.701 -7.727 -3.645) 9.752 4.825 ( 1.875 0.418 -0.266) 1.940 4.891 ( 2.987 -4.502 0.288) 5.410 4.999 ( -3.307 -2.887 0.843) 4.470 5.077 ( 1.501 1.532 1.720) 2.750 5.136 ( -1.310 3.270 3.677) 5.092 5.229 ( -0.814 9.353 4.630) 10.468 5.313 ( -3.110 9.121 -0.505) 9.650 5.330 ( 2.138 6.623 -1.656) 7.153 5.387 ( 2.052 9.303 3.821) 10.264 5.465 ( -0.998 0.592 -1.721) 2.075 5.523 ( 1.374 11.904 -4.930) 12.958 5.601 ( -6.090 11.105 2.964) 13.008 5.615 ( -0.455 1.773 -1.390) 2.299 5.660 ( -9.343 1.538 -2.681) 9.841 5.687 ( -3.000 1.976 -2.409) 4.325 5.795 ( 1.839 -3.249 -3.685) 5.246 5.824 ( 2.417 -0.654 -0.021) 2.504 5.991 ( 4.315 -0.504 -0.139) 4.346 6.043 ( -3.282 -3.086 3.797) 5.891 6.111 ( 2.661 -0.404 -0.027) 2.692 6.167 ( 3.103 5.661 0.343) 6.465 6.257 ( -1.026 2.094 -2.439) 3.374 6.397 ( -4.209 -0.095 1.399) 4.437 6.419 ( 0.941 -1.999 2.586) 3.401 6.460 ( 1.665 8.115 4.225) 9.299 6.553 ( 1.853 1.294 2.004) 3.021 6.584 ( 2.021 -1.667 1.453) 2.995 6.654 ( 3.393 3.559 0.150) 4.919 6.697 ( 1.867 -5.923 3.462) 7.110 6.734 ( -5.081 1.459 1.788) 5.581 6.821 ( 0.776 0.628 3.126) 3.281 6.856 ( 0.978 -2.221 -3.013) 3.869 6.994 ( -2.121 -2.851 -7.059) 7.903 6.999 ( 0.579 -2.981 -2.179) 3.738 7.058 ( -0.551 -0.844 -0.620) 1.183 7.135 ( 0.901 -3.544 -5.387) 6.511 7.253 ( -0.330 -5.223 -0.777) 5.291 7.337 ( -0.158 -5.451 -2.165) 5.867 7.408 ( -2.007 -0.332 0.422) 2.077 7.482 ( -0.943 -3.065 0.674) 3.277 7.522 ( 0.452 -0.231 0.058) 0.511 7.567 ( 1.167 0.250 1.293) 1.759 7.693 ( -3.226 -0.770 0.240) 3.325 7.768 ( 2.369 -3.366 0.559) 4.154 7.855 ( 0.049 2.524 1.300) 2.839 7.889 ( 2.132 -0.998 1.126) 2.610 7.973 ( -0.528 0.674 1.820) 2.012 8.096 ( 1.409 -0.902 -2.358) 2.891 8.324 ( -1.222 4.116 2.211) 4.829 8.393 ( -0.850 0.651 -0.896) 1.397 8.493 ( -0.788 0.766 -0.658) 1.281 8.556 ( -0.237 -0.396 0.338) 0.572 8.694 ( -1.287 -9.035 1.100) 9.193 8.757 ( -0.908 -6.336 1.624) 6.604 8.848 ( -1.487 -1.999 1.316) 2.818 8.877 ( -0.126 -0.967 -0.620) 1.156 8.938 ( 2.156 -2.908 1.713) 4.005 9.065 ( 2.637 -7.206 -4.160) 8.729 9.128 ( 0.420 -8.003 -0.449) 8.026 9.196 ( 1.451 -10.137 -1.451) 10.342 9.304 ( -0.489 -5.101 3.159) 6.020 9.423 ( 1.145 -9.427 -1.255) 9.579 9.539 ( -1.902 -2.014 0.151) 2.774 9.582 ( 0.071 -4.582 -0.304) 4.592 9.831 ( -0.138 1.504 0.615) 1.631 9.879 ( -0.681 -0.097 0.542) 0.876 9.895 ( 0.372 0.935 1.170) 1.543 9.995 ( -0.556 -2.443 -2.134) 3.291 10.920 ( -1.319 3.293 -0.571) 3.593 10.950 ( 1.423 2.340 -0.357) 2.762 10.995 ( 0.413 0.320 1.601) 1.684 11.052 ( -0.421 -1.690 -1.693) 2.429 11.112 ( -0.236 1.405 1.325) 1.945 11.155 ( 1.451 -0.279 0.452) 1.545 11.246 ( -0.674 -0.709 -1.218) 1.562 11.280 ( 0.219 -2.099 -1.836) 2.797 11.876 ( -4.742 12.357 4.095) 13.855 12.035 ( -0.785 7.140 4.877) 8.682 12.149 ( 0.412 6.069 2.132) 6.445 12.228 ( -4.458 4.392 -1.941) 6.552 12.317 ( -0.266 0.139 -1.337) 1.370 12.342 ( 1.530 -1.016 0.548) 1.916 12.431 ( 5.593 3.286 -3.718) 7.477 12.495 ( 2.305 0.524 -4.080) 4.715 14.433 ( -0.279 4.542 -0.176) 4.554 14.475 ( 0.730 4.030 -1.645) 4.414 14.520 ( -0.771 3.742 3.161) 4.959 14.616 ( 0.532 0.589 -0.208) 0.821 14.707 ( 0.189 2.294 0.925) 2.481 14.767 ( -0.710 2.034 -0.176) 2.162 14.787 ( -1.331 0.271 0.656) 1.508 14.892 ( 1.426 -1.486 -1.354) 2.465 15.292 ( 2.020 4.046 1.380) 4.728 15.325 ( -0.277 3.969 -1.002) 4.103 15.356 ( -0.193 1.715 0.532) 1.806 15.416 ( 1.081 0.108 -1.238) 1.647 15.705 ( -0.673 4.409 2.671) 5.199 15.761 ( 2.163 1.946 4.227) 5.131 15.852 ( -4.554 2.936 -4.439) 7.005 15.892 ( -1.410 -0.584 -2.756) 3.150 16.803 ( 8.065 10.669 8.860) 16.042 16.898 ( -11.048 9.087 -7.345) 16.081 17.137 ( -5.664 1.495 -1.259) 5.991 17.240 ( 5.472 -4.422 0.920) 7.095 17.462 ( 1.312 0.328 -0.034) 1.353 17.531 ( 3.942 1.474 -1.167) 4.367 17.673 ( -4.162 -3.586 -0.613) 5.528 17.768 ( 7.111 -4.242 1.218) 8.370 18.236 ( -0.005 4.405 0.861) 4.488 18.282 ( 0.416 3.712 -1.237) 3.934 18.370 ( -0.083 -0.303 0.377) 0.491 18.377 ( -0.797 -0.327 -0.441) 0.968 18.559 ( -0.198 0.429 0.449) 0.652 18.591 ( 0.173 -0.679 -0.930) 1.164 18.651 ( 0.479 -3.109 0.556) 3.194 18.654 ( -0.503 -3.266 -0.193) 3.310 21.738 ( -1.077 1.342 -0.526) 1.800 21.753 ( 0.123 1.582 -0.441) 1.647 21.793 ( -0.704 -0.040 1.479) 1.639 21.856 ( 0.694 -2.388 -0.799) 2.612 22.221 ( 0.345 -0.011 -0.103) 0.361 22.237 ( 2.365 -1.791 0.783) 3.068 22.334 ( -0.456 1.949 0.516) 2.067 22.407 ( 1.199 1.176 -1.898) 2.534 22.468 ( -1.621 -3.373 1.156) 3.916 22.520 ( 0.346 -4.165 -0.549) 4.215 22.924 ( -0.106 -1.617 0.151) 1.627 22.941 ( 0.664 -2.254 -0.291) 2.368 23.056 ( -1.853 -1.100 1.542) 2.650 23.077 ( -0.609 -2.192 1.736) 2.862 23.158 ( 0.035 -1.611 -0.965) 1.878 23.179 ( -0.355 -2.727 -1.467) 3.117 ======================= Grid point 79 (43/66) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -0.774 17.447 4.007) 17.917 1.925 ( 0.758 16.965 3.747) 17.390 2.042 ( -1.430 15.697 0.571) 15.772 2.097 ( -1.026 14.835 -2.970) 15.164 2.244 ( -0.209 13.936 -3.607) 14.397 2.341 ( 1.947 14.573 -1.952) 14.832 2.503 ( 1.926 -3.399 1.455) 4.169 2.555 ( -1.272 2.357 -4.257) 5.030 2.614 ( 3.234 -1.708 -1.018) 3.796 2.664 ( 3.164 -2.691 -0.921) 4.254 2.724 ( 0.588 2.372 2.639) 3.596 2.776 ( 0.323 -1.307 2.617) 2.943 2.836 ( -4.451 2.612 -0.247) 5.167 2.871 ( 1.398 -2.298 -0.417) 2.722 2.995 ( -5.307 2.578 1.611) 6.116 3.058 ( -1.970 -5.812 1.744) 6.380 3.069 ( 0.509 -2.030 -1.162) 2.394 3.110 ( 2.020 0.857 -1.149) 2.477 3.226 ( 2.940 -3.248 2.982) 5.299 3.365 ( 1.559 -8.963 -3.387) 9.708 3.461 ( -0.284 1.343 0.511) 1.464 3.471 ( 0.502 -1.070 -2.033) 2.351 3.490 ( -0.333 0.229 -1.614) 1.664 3.619 ( -1.486 -3.578 -1.539) 4.168 3.742 ( 1.733 -4.174 0.885) 4.606 3.822 ( 3.480 -5.233 2.575) 6.792 3.875 ( -2.974 2.107 1.986) 4.151 4.026 ( -2.400 -0.195 -0.007) 2.408 4.171 ( -3.781 -5.713 1.856) 7.098 4.253 ( -1.632 1.370 -1.393) 2.546 4.385 ( 7.343 -7.596 -4.998) 11.687 4.480 ( 0.207 -6.390 4.082) 7.585 4.501 ( 1.701 -2.969 0.542) 3.464 4.611 ( -0.326 -2.457 -1.181) 2.746 4.732 ( 6.784 -2.000 0.679) 7.105 4.828 ( 4.926 -7.335 -3.194) 9.395 4.844 ( 1.359 -0.514 -2.091) 2.546 4.983 ( 5.880 -5.433 1.252) 8.103 4.995 ( 1.857 2.943 0.233) 3.487 5.070 ( -4.995 4.969 0.308) 7.052 5.123 ( -1.746 1.564 5.353) 5.844 5.215 ( -2.608 9.107 2.554) 9.812 5.253 ( 0.460 6.173 0.065) 6.190 5.317 ( -6.586 -1.324 -3.666) 7.653 5.360 ( -5.944 4.511 -1.956) 7.714 5.394 ( -3.544 10.595 4.180) 11.928 5.436 ( -7.115 7.530 -2.148) 10.581 5.526 ( 3.012 9.213 -0.781) 9.725 5.558 ( 2.545 6.216 -3.782) 7.708 5.636 ( -0.450 0.242 1.920) 1.987 5.713 ( 2.374 3.069 0.446) 3.906 5.771 ( -2.666 -1.745 -3.080) 4.431 5.864 ( 2.490 -0.344 0.590) 2.582 5.961 ( -2.904 -1.938 2.198) 4.126 6.090 ( -3.368 2.409 -4.999) 6.491 6.099 ( 2.009 1.858 0.107) 2.739 6.207 ( -1.996 -1.759 2.204) 3.455 6.260 ( 4.684 2.501 0.131) 5.311 6.337 ( -1.134 -0.413 1.325) 1.792 6.421 ( -0.655 -3.755 2.699) 4.671 6.546 ( 1.544 3.969 -0.440) 4.282 6.555 ( -0.959 2.944 0.607) 3.155 6.582 ( -2.068 1.781 0.526) 2.780 6.679 ( -1.882 4.859 1.985) 5.576 6.749 ( 5.659 4.420 0.298) 7.187 6.777 ( 5.807 -4.150 4.199) 8.281 6.842 ( -1.144 -5.789 -2.899) 6.575 6.910 ( 1.982 -1.850 4.841) 5.548 6.927 ( 0.193 -2.788 -3.697) 4.635 7.018 ( 0.869 -1.492 -0.895) 1.945 7.060 ( 3.412 -3.534 -1.399) 5.108 7.134 ( 1.204 -1.629 -3.630) 4.157 7.238 ( -2.921 -5.518 -2.035) 6.566 7.264 ( -1.872 -5.721 -1.096) 6.118 7.384 ( -2.264 1.468 2.667) 3.794 7.462 ( -1.592 0.301 1.040) 1.926 7.501 ( -1.446 1.413 -3.635) 4.159 7.578 ( -0.452 0.862 -1.185) 1.534 7.647 ( -1.678 -1.938 0.769) 2.677 7.777 ( -1.493 -5.610 -0.530) 5.830 7.895 ( 2.833 0.371 1.870) 3.415 7.931 ( 1.762 -1.765 1.325) 2.824 7.979 ( -0.207 2.115 1.570) 2.642 8.104 ( 0.372 0.757 -2.595) 2.728 8.307 ( -1.669 2.743 2.807) 4.265 8.381 ( 0.403 -1.294 -2.453) 2.803 8.487 ( 0.730 -0.002 -0.941) 1.191 8.543 ( -1.390 -0.825 1.558) 2.245 8.678 ( -0.103 -9.755 0.294) 9.760 8.755 ( 0.392 -7.233 1.537) 7.405 8.816 ( -1.803 -1.845 1.283) 2.881 8.866 ( -1.168 -0.193 -0.368) 1.239 9.005 ( 2.868 -4.808 3.010) 6.357 9.074 ( -1.597 -7.632 1.187) 7.887 9.138 ( 1.901 -4.771 -3.280) 6.094 9.255 ( 5.011 -8.856 -3.132) 10.647 9.321 ( 1.316 -4.003 1.888) 4.617 9.431 ( -0.949 -6.092 -0.318) 6.173 9.504 ( -0.472 -4.460 -1.074) 4.612 9.555 ( -2.967 -4.775 0.256) 5.628 9.830 ( -0.250 0.844 0.698) 1.123 9.868 ( -0.896 -0.886 1.528) 1.981 9.908 ( 0.620 0.777 -0.069) 0.997 9.969 ( -0.891 -1.703 -1.860) 2.675 10.900 ( -0.469 4.087 0.149) 4.117 10.978 ( 1.164 0.196 -0.387) 1.242 11.010 ( 0.509 -0.029 1.259) 1.359 11.032 ( -0.578 -0.929 -1.733) 2.050 11.118 ( 0.291 1.610 1.200) 2.029 11.185 ( 1.195 -1.555 0.318) 1.987 11.221 ( -1.046 -0.061 -1.790) 2.075 11.266 ( -0.744 -2.458 -1.269) 2.864 11.829 ( -1.454 14.203 1.605) 14.368 11.990 ( -4.149 9.029 1.031) 9.990 12.130 ( -2.937 7.618 4.603) 9.372 12.193 ( -0.473 2.885 4.144) 5.071 12.290 ( -1.327 -1.271 -2.203) 2.869 12.378 ( 1.072 -1.969 2.174) 3.123 12.507 ( 3.333 2.590 -3.673) 5.596 12.556 ( 6.065 0.310 -7.380) 9.557 14.429 ( -0.002 4.664 0.164) 4.666 14.482 ( 0.620 3.820 -1.486) 4.145 14.525 ( -0.190 4.076 3.032) 5.084 14.621 ( -0.094 1.314 -0.412) 1.380 14.703 ( -0.404 1.245 -0.002) 1.309 14.752 ( -2.042 -0.085 0.329) 2.070 14.777 ( 1.085 2.846 1.089) 3.235 14.912 ( 0.878 -2.045 -1.380) 2.619 15.296 ( 0.089 5.202 -0.691) 5.249 15.364 ( 0.909 1.772 1.067) 2.260 15.390 ( 4.666 3.531 1.910) 6.155 15.450 ( 1.760 -0.144 -0.813) 1.944 15.669 ( -2.977 2.272 0.344) 3.760 15.713 ( -5.232 0.799 -1.034) 5.393 15.816 ( -0.144 3.842 -1.357) 4.077 15.864 ( -1.119 0.112 0.866) 1.419 16.705 ( -4.636 13.556 -3.660) 14.787 17.000 ( 1.330 8.938 5.330) 10.491 17.015 ( -0.992 -0.197 1.096) 1.491 17.358 ( 4.707 -6.371 1.437) 8.051 17.445 ( 1.093 -2.135 -0.780) 2.522 17.532 ( -3.503 -5.115 -1.769) 6.447 17.686 ( 4.130 6.004 -1.014) 7.357 17.898 ( 4.862 -4.726 -1.091) 6.867 18.233 ( -0.023 4.516 0.068) 4.516 18.301 ( 1.593 3.429 -0.097) 3.782 18.351 ( -1.600 -1.434 -0.825) 2.302 18.358 ( -1.163 2.008 0.049) 2.321 18.564 ( 0.467 -0.947 0.992) 1.448 18.598 ( 0.497 -1.750 -0.413) 1.865 18.637 ( -0.583 -2.946 -0.690) 3.081 18.655 ( -0.313 -3.516 -0.135) 3.532 21.714 ( -0.736 1.709 -0.172) 1.869 21.750 ( -0.763 -0.162 0.669) 1.027 21.789 ( 0.428 1.764 0.015) 1.816 21.864 ( -0.308 -2.175 -0.028) 2.197 22.251 ( 2.823 1.160 -0.862) 3.172 22.291 ( 2.194 -1.990 1.262) 3.219 22.335 ( 0.919 1.213 -0.841) 1.739 22.415 ( -0.744 0.979 -0.357) 1.280 22.440 ( -0.117 -3.713 -0.207) 3.720 22.514 ( -1.483 -3.481 0.431) 3.809 22.925 ( 0.337 -0.482 -0.004) 0.588 22.964 ( 1.656 -2.515 0.342) 3.030 23.008 ( -3.123 -0.506 0.668) 3.233 23.059 ( -1.983 -2.864 1.541) 3.809 23.155 ( -0.377 -1.922 -0.503) 2.022 23.164 ( -0.086 -2.587 -1.262) 2.879 ======================= Grid point 80 (44/66) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -1.696 -10.466 3.137) 11.057 2.105 ( -1.696 10.466 3.137) 11.057 2.205 ( 0.703 -6.684 2.128) 7.050 2.205 ( 0.703 6.684 2.128) 7.050 2.352 ( 0.823 -7.966 0.329) 8.015 2.352 ( 0.823 7.966 0.329) 8.015 2.598 ( 3.097 -2.402 -2.131) 4.462 2.598 ( 3.097 2.402 -2.131) 4.462 2.645 ( -4.024 -8.093 1.418) 9.148 2.645 ( -4.024 8.093 1.418) 9.148 2.728 ( 4.600 -6.579 -3.300) 8.679 2.728 ( 4.600 6.579 -3.300) 8.679 2.907 ( -1.538 -2.469 3.839) 4.816 2.907 ( -1.538 2.469 3.839) 4.816 2.924 ( -2.034 -4.072 -0.089) 4.553 2.924 ( -2.034 4.072 -0.089) 4.553 3.089 ( -2.819 -6.065 -2.321) 7.079 3.089 ( -2.819 6.065 -2.321) 7.079 3.188 ( 0.764 -7.764 -2.871) 8.313 3.188 ( 0.764 7.764 -2.871) 8.313 3.470 ( 1.630 -2.699 -2.123) 3.801 3.470 ( 1.630 2.699 -2.123) 3.801 3.516 ( -1.297 -4.099 -2.480) 4.963 3.516 ( -1.297 4.099 -2.480) 4.963 3.810 ( 4.585 -3.578 3.528) 6.802 3.810 ( 4.585 3.578 3.528) 6.802 3.962 ( -2.304 -2.808 -0.085) 3.634 3.962 ( -2.304 2.808 -0.085) 3.634 4.099 ( -1.230 -9.430 5.005) 10.746 4.099 ( -1.230 9.430 5.005) 10.746 4.349 ( 2.884 -8.953 -5.235) 10.765 4.349 ( 2.884 8.953 -5.235) 10.765 4.607 ( -4.549 -3.155 1.789) 5.818 4.607 ( -4.549 3.155 1.789) 5.818 4.781 ( 7.522 -5.828 -5.985) 11.241 4.781 ( 7.522 5.828 -5.985) 11.241 4.956 ( -3.614 -3.448 4.719) 6.872 4.956 ( -3.614 3.448 4.719) 6.872 5.073 ( 1.490 -3.376 0.506) 3.724 5.073 ( 1.490 3.376 0.506) 3.724 5.108 ( -5.674 -4.422 -0.070) 7.194 5.108 ( -5.674 4.422 -0.070) 7.194 5.209 ( 2.514 -1.843 -3.273) 4.520 5.209 ( 2.514 1.843 -3.273) 4.520 5.477 ( -1.484 -2.451 7.238) 7.784 5.477 ( -1.484 2.451 7.238) 7.784 5.594 ( 0.081 -0.356 0.457) 0.585 5.594 ( 0.081 0.356 0.457) 0.585 5.694 ( 0.939 -4.960 -0.553) 5.078 5.694 ( 0.939 4.960 -0.553) 5.078 5.789 ( 0.292 -3.355 -2.646) 4.283 5.789 ( 0.292 3.355 -2.646) 4.283 5.970 ( 0.734 -2.964 0.731) 3.139 5.970 ( 0.734 2.964 0.731) 3.139 5.989 ( 1.612 -2.163 -0.192) 2.705 5.989 ( 1.612 2.163 -0.192) 2.705 6.237 ( -1.828 -4.544 1.821) 5.225 6.237 ( -1.828 4.544 1.821) 5.225 6.351 ( 1.053 -3.274 -1.443) 3.730 6.351 ( 1.053 3.274 -1.443) 3.730 6.556 ( -2.679 -8.706 -4.613) 10.210 6.556 ( -2.679 8.706 -4.613) 10.210 6.660 ( -0.811 -2.089 0.473) 2.290 6.660 ( -0.811 2.089 0.473) 2.290 6.744 ( -1.195 -4.861 2.203) 5.469 6.744 ( -1.195 4.861 2.203) 5.469 6.881 ( 2.624 -0.760 1.555) 3.143 6.881 ( 2.624 0.760 1.555) 3.143 6.950 ( -1.767 -5.395 -1.223) 5.807 6.950 ( -1.767 5.395 -1.223) 5.807 7.134 ( 3.650 -1.802 -0.401) 4.091 7.134 ( 3.650 1.802 -0.401) 4.091 7.217 ( 2.315 -1.609 2.400) 3.703 7.217 ( 2.315 1.609 2.400) 3.703 7.389 ( -1.463 -0.761 -0.363) 1.688 7.389 ( -1.463 0.761 -0.363) 1.688 7.549 ( -3.106 -2.274 -2.442) 4.558 7.549 ( -3.106 2.274 -2.442) 4.558 7.623 ( 0.845 -3.993 -0.670) 4.135 7.623 ( 0.845 3.993 -0.670) 4.136 7.940 ( 0.531 -1.676 1.945) 2.621 7.940 ( 0.531 1.676 1.945) 2.621 8.067 ( -0.301 -4.548 -0.890) 4.645 8.067 ( -0.301 4.548 -0.890) 4.645 8.320 ( -0.225 -3.100 -1.574) 3.484 8.320 ( -0.225 3.100 -1.574) 3.484 8.491 ( 0.367 -2.231 -1.904) 2.956 8.491 ( 0.367 2.231 -1.904) 2.956 8.665 ( 2.332 -3.984 3.287) 5.668 8.665 ( 2.332 3.984 3.287) 5.668 8.801 ( -2.370 -3.187 3.431) 5.248 8.801 ( -2.370 3.187 3.431) 5.248 8.975 ( -1.609 -1.715 2.205) 3.224 8.975 ( -1.609 1.715 2.205) 3.224 9.174 ( 1.959 -5.360 -4.366) 7.186 9.174 ( 1.959 5.360 -4.366) 7.186 9.370 ( 0.581 -1.040 -0.878) 1.480 9.370 ( 0.581 1.040 -0.878) 1.480 9.437 ( -0.990 -0.818 0.438) 1.356 9.437 ( -0.990 0.818 0.438) 1.356 9.844 ( -0.367 -1.054 1.208) 1.645 9.844 ( -0.367 1.054 1.208) 1.645 9.934 ( 0.384 -1.459 -0.826) 1.720 9.934 ( 0.384 1.459 -0.826) 1.720 10.969 ( 0.598 -2.303 0.180) 2.386 10.969 ( 0.598 2.303 0.180) 2.386 11.004 ( -0.550 -1.099 -0.571) 1.355 11.004 ( -0.550 1.099 -0.571) 1.355 11.159 ( -0.512 -1.897 1.011) 2.210 11.159 ( -0.512 1.897 1.011) 2.210 11.217 ( 0.536 -0.843 -1.479) 1.785 11.217 ( 0.536 0.843 -1.479) 1.785 12.022 ( 0.797 -4.789 1.565) 5.101 12.022 ( 0.797 4.789 1.565) 5.101 12.173 ( -1.384 -5.164 -0.353) 5.358 12.173 ( -1.384 5.164 -0.353) 5.358 12.323 ( -0.782 -4.813 4.148) 6.402 12.323 ( -0.782 4.813 4.148) 6.402 12.579 ( 1.537 -1.826 -5.584) 6.073 12.579 ( 1.537 1.826 -5.584) 6.073 14.498 ( 0.113 -1.495 0.507) 1.583 14.498 ( 0.113 1.495 0.507) 1.583 14.604 ( -0.648 -2.215 0.959) 2.499 14.604 ( -0.648 2.215 0.959) 2.499 14.719 ( 0.075 -0.877 1.100) 1.408 14.719 ( 0.075 0.877 1.100) 1.408 14.857 ( 0.163 -3.399 -1.477) 3.710 14.857 ( 0.163 3.399 -1.477) 3.710 15.383 ( 1.111 -1.879 1.222) 2.502 15.383 ( 1.111 1.879 1.222) 2.502 15.454 ( -1.995 -1.491 -1.299) 2.809 15.454 ( -1.995 1.491 -1.299) 2.809 15.676 ( 2.177 -2.006 1.897) 3.516 15.676 ( 2.177 2.006 1.897) 3.516 15.828 ( -1.372 -1.393 -2.314) 3.029 15.828 ( -1.372 1.393 -2.314) 3.029 16.927 ( 1.404 -6.266 0.029) 6.421 16.927 ( 1.404 6.266 0.029) 6.421 17.166 ( -2.895 -7.810 -1.191) 8.414 17.166 ( -2.895 7.810 -1.191) 8.414 17.508 ( 3.370 -2.688 5.356) 6.875 17.508 ( 3.370 2.688 5.356) 6.875 17.811 ( -1.861 -4.578 -4.454) 6.653 17.811 ( -1.861 4.578 -4.454) 6.653 18.305 ( 0.187 -1.638 0.225) 1.664 18.305 ( 0.187 1.638 0.225) 1.664 18.362 ( -0.043 -0.261 0.141) 0.300 18.362 ( -0.043 0.261 0.141) 0.300 18.566 ( 0.158 -0.929 0.568) 1.100 18.566 ( 0.158 0.929 0.568) 1.100 18.602 ( -0.121 -0.379 -0.839) 0.929 18.602 ( -0.121 0.379 -0.839) 0.929 21.737 ( 0.308 -0.709 0.614) 0.987 21.737 ( 0.308 0.709 0.614) 0.987 21.823 ( -0.261 -1.324 -0.416) 1.412 21.823 ( -0.261 1.324 -0.416) 1.412 22.300 ( -0.707 -1.630 0.345) 1.810 22.300 ( -0.707 1.630 0.345) 1.810 22.362 ( 1.179 -1.751 -1.234) 2.445 22.362 ( 1.179 1.751 -1.234) 2.445 22.453 ( -0.441 -0.785 0.560) 1.060 22.453 ( -0.441 0.785 0.560) 1.060 22.957 ( 0.494 -0.456 0.046) 0.674 22.957 ( 0.494 0.456 0.046) 0.674 22.975 ( -0.831 -1.037 0.751) 1.526 22.975 ( -0.831 1.037 0.751) 1.526 23.134 ( 0.260 -0.462 -0.453) 0.698 23.134 ( 0.260 0.462 -0.453) 0.698 ======================= Grid point 82 (45/66) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -1.526 -7.917 2.078) 8.326 2.083 ( -1.526 7.917 2.079) 8.326 2.225 ( 0.018 -5.586 2.318) 6.048 2.225 ( 0.018 5.586 2.318) 6.048 2.406 ( 4.727 -8.614 -0.516) 9.839 2.406 ( 4.727 8.614 -0.516) 9.839 2.550 ( -5.538 -8.059 2.537) 10.102 2.550 ( -5.538 8.059 2.537) 10.102 2.652 ( 3.414 -2.518 -3.135) 5.274 2.652 ( 3.414 2.518 -3.135) 5.274 2.777 ( 0.528 -4.744 -1.449) 4.988 2.777 ( 0.528 4.744 -1.449) 4.988 2.821 ( -5.201 -7.516 -2.317) 9.430 2.821 ( -5.201 7.516 -2.317) 9.430 2.947 ( 0.160 -7.383 1.276) 7.494 2.947 ( 0.160 7.383 1.276) 7.494 3.055 ( 1.790 -1.290 2.052) 3.013 3.055 ( 1.790 1.290 2.052) 3.013 3.193 ( 0.326 -7.146 -0.634) 7.182 3.193 ( 0.326 7.146 -0.634) 7.182 3.455 ( -2.598 -1.290 -2.722) 3.978 3.455 ( -2.598 1.290 -2.722) 3.978 3.505 ( 2.040 -2.112 -0.447) 2.970 3.505 ( 2.040 2.112 -0.447) 2.970 3.843 ( -2.368 -1.662 -1.827) 3.421 3.843 ( -2.368 1.662 -1.827) 3.421 4.004 ( 6.020 -3.008 2.340) 7.125 4.004 ( 6.020 3.008 2.340) 7.125 4.092 ( -0.879 -9.381 2.009) 9.633 4.092 ( -0.879 9.381 2.009) 9.633 4.403 ( 3.608 -9.699 -2.781) 10.716 4.403 ( 3.608 9.699 -2.781) 10.716 4.489 ( -5.804 -1.205 -0.484) 5.947 4.489 ( -5.804 1.205 -0.484) 5.947 4.777 ( -8.969 -5.328 -1.496) 10.538 4.777 ( -8.969 5.328 -1.496) 10.538 4.916 ( 0.264 -5.477 -1.478) 5.679 4.916 ( 0.264 5.477 -1.478) 5.679 5.016 ( 0.310 -0.761 4.424) 4.499 5.016 ( 0.310 0.761 4.424) 4.499 5.108 ( -0.668 -3.260 0.393) 3.351 5.108 ( -0.668 3.260 0.393) 3.351 5.328 ( 8.131 -1.309 -2.788) 8.695 5.328 ( 8.131 1.309 -2.788) 8.695 5.465 ( -1.927 -4.526 3.404) 5.982 5.465 ( -1.927 4.526 3.404) 5.982 5.597 ( 2.326 -2.964 -0.935) 3.882 5.597 ( 2.326 2.964 -0.935) 3.882 5.736 ( 2.206 -7.191 -1.091) 7.600 5.736 ( 2.206 7.191 -1.091) 7.600 5.804 ( 1.451 -2.377 1.958) 3.405 5.804 ( 1.451 2.377 1.958) 3.405 5.929 ( -1.976 -2.420 1.941) 3.679 5.929 ( -1.976 2.420 1.941) 3.679 6.078 ( 2.953 -1.769 -3.784) 5.116 6.078 ( 2.953 1.769 -3.784) 5.116 6.210 ( -1.836 -7.833 3.198) 8.658 6.210 ( -1.836 7.833 3.198) 8.658 6.364 ( -0.077 -0.615 1.563) 1.681 6.364 ( -0.077 0.615 1.563) 1.681 6.499 ( 0.707 -6.596 -3.671) 7.582 6.499 ( 0.707 6.596 -3.671) 7.582 6.621 ( -5.228 -3.587 0.029) 6.340 6.621 ( -5.228 3.587 0.029) 6.340 6.711 ( -0.109 -2.025 2.991) 3.613 6.711 ( -0.109 2.025 2.991) 3.613 6.904 ( -1.601 -5.792 -0.418) 6.023 6.904 ( -1.601 5.792 -0.418) 6.023 6.981 ( 4.306 -4.987 -0.156) 6.591 6.981 ( 4.306 4.987 -0.156) 6.591 7.145 ( -2.113 -2.487 -2.438) 4.073 7.145 ( -2.113 2.487 -2.438) 4.073 7.230 ( -0.762 -3.902 -1.693) 4.321 7.230 ( -0.762 3.902 -1.693) 4.321 7.397 ( 2.167 -2.857 0.188) 3.590 7.397 ( 2.167 2.857 0.188) 3.590 7.485 ( -1.686 -3.119 0.468) 3.577 7.485 ( -1.686 3.119 0.468) 3.577 7.667 ( 3.156 -2.330 -0.235) 3.930 7.667 ( 3.156 2.330 -0.235) 3.930 7.943 ( -1.543 -2.742 2.139) 3.805 7.943 ( -1.543 2.742 2.139) 3.805 8.040 ( -1.635 -4.389 -0.888) 4.768 8.040 ( -1.635 4.389 -0.888) 4.768 8.353 ( 3.775 -5.601 -1.315) 6.882 8.353 ( 3.775 5.601 -1.315) 6.882 8.490 ( 0.272 -3.392 -1.232) 3.619 8.490 ( 0.272 3.392 -1.232) 3.619 8.689 ( -1.627 -0.970 3.271) 3.780 8.689 ( -1.627 0.970 3.271) 3.780 8.803 ( 1.439 -3.022 2.280) 4.050 8.803 ( 1.439 3.022 2.280) 4.050 8.953 ( -1.297 -2.720 0.727) 3.100 8.953 ( -1.297 2.720 0.727) 3.100 9.149 ( -2.739 -4.184 -2.690) 5.678 9.149 ( -2.739 4.184 -2.690) 5.678 9.326 ( -2.253 -2.643 -0.694) 3.542 9.326 ( -2.253 2.643 -0.694) 3.542 9.482 ( 3.088 -1.805 0.099) 3.579 9.482 ( 3.088 1.805 0.099) 3.579 9.848 ( 0.147 -1.394 1.300) 1.912 9.848 ( 0.147 1.394 1.300) 1.912 9.941 ( 0.671 -2.390 -0.987) 2.672 9.941 ( 0.671 2.390 -0.987) 2.672 10.975 ( -0.175 -1.133 -0.269) 1.178 10.975 ( -0.175 1.133 -0.269) 1.178 11.000 ( 0.510 -2.724 -0.070) 2.772 11.000 ( 0.510 2.724 -0.070) 2.772 11.143 ( -1.164 -1.820 0.800) 2.304 11.143 ( -1.164 1.820 0.800) 2.304 11.234 ( 1.443 -0.436 -1.242) 1.953 11.234 ( 1.443 0.436 -1.242) 1.953 12.053 ( 1.127 -3.714 2.164) 4.443 12.053 ( 1.127 3.714 2.164) 4.443 12.170 ( 1.197 -5.453 -0.138) 5.584 12.170 ( 1.197 5.453 -0.138) 5.584 12.321 ( -0.766 -3.467 2.790) 4.516 12.321 ( -0.766 3.467 2.790) 4.516 12.552 ( -1.645 -0.900 -5.039) 5.376 12.552 ( -1.645 0.900 -5.039) 5.376 14.499 ( -0.141 -0.940 0.050) 0.952 14.499 ( -0.141 0.940 0.050) 0.952 14.595 ( -0.725 -2.029 1.392) 2.565 14.595 ( -0.725 2.029 1.392) 2.565 14.731 ( 0.413 -1.359 1.048) 1.765 14.731 ( 0.413 1.359 1.048) 1.765 14.853 ( 0.231 -2.908 -1.411) 3.240 14.853 ( 0.231 2.908 -1.411) 3.240 15.357 ( -3.235 -1.055 -0.254) 3.412 15.357 ( -3.235 1.055 -0.254) 3.412 15.441 ( 0.542 -1.307 0.926) 1.691 15.441 ( 0.542 1.307 0.926) 1.691 15.711 ( 0.102 -0.877 -0.472) 1.001 15.711 ( 0.102 0.877 -0.472) 1.001 15.846 ( 4.222 -1.442 -0.516) 4.491 15.846 ( 4.222 1.442 -0.516) 4.491 16.933 ( -0.932 -8.264 -1.844) 8.518 16.933 ( -0.932 8.264 -1.844) 8.518 17.172 ( 4.106 -4.133 2.882) 6.500 17.172 ( 4.106 4.133 2.882) 6.500 17.538 ( -3.263 -2.526 0.932) 4.230 17.538 ( -3.263 2.526 0.932) 4.230 17.730 ( -3.323 -3.718 -2.197) 5.449 17.730 ( -3.323 3.718 -2.197) 5.449 18.305 ( -0.267 -2.621 -0.046) 2.635 18.305 ( -0.267 2.621 -0.046) 2.635 18.366 ( 0.307 -1.534 0.186) 1.575 18.366 ( 0.307 1.534 0.186) 1.575 18.577 ( 0.558 -1.364 0.411) 1.530 18.577 ( 0.558 1.364 0.411) 1.530 18.600 ( 0.322 -0.399 -0.636) 0.817 18.600 ( 0.322 0.399 -0.636) 0.817 21.750 ( 0.610 -0.278 0.224) 0.707 21.750 ( 0.610 0.278 0.224) 0.707 21.818 ( -0.068 -1.827 -0.112) 1.832 21.818 ( -0.068 1.827 -0.112) 1.832 22.256 ( -2.928 -1.718 0.051) 3.395 22.256 ( -2.928 1.718 0.051) 3.395 22.390 ( 1.120 -1.354 -0.504) 1.828 22.390 ( 1.120 1.354 -0.504) 1.828 22.448 ( -0.030 -2.928 0.149) 2.932 22.448 ( -0.030 2.928 0.149) 2.932 22.931 ( -1.424 -1.112 0.109) 1.810 22.931 ( -1.424 1.112 0.109) 1.810 23.011 ( 2.177 -1.498 0.870) 2.782 23.011 ( 2.177 1.498 0.870) 2.782 23.142 ( 0.730 -0.457 -0.625) 1.064 23.142 ( 0.730 0.457 -0.625) 1.064 ======================= Grid point 84 (46/66) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -0.631 -5.766 1.228) 5.929 2.070 ( -0.631 5.766 1.228) 5.929 2.228 ( -0.450 -1.456 1.280) 1.990 2.228 ( -0.450 1.456 1.280) 1.990 2.482 ( -2.837 -5.993 3.950) 7.718 2.482 ( -2.837 5.993 3.950) 7.718 2.489 ( 2.995 -9.553 -2.994) 10.449 2.489 ( 2.995 9.553 -2.994) 10.449 2.654 ( -2.735 -4.281 -3.663) 6.263 2.654 ( -2.735 4.281 -3.663) 6.263 2.744 ( 1.310 -6.936 -0.864) 7.111 2.744 ( 1.310 6.936 -0.864) 7.111 2.793 ( 2.520 -3.281 0.080) 4.138 2.793 ( 2.520 3.281 0.080) 4.138 2.942 ( -1.851 -7.810 1.367) 8.141 2.942 ( -1.851 7.810 1.367) 8.142 3.110 ( 0.497 -2.042 2.842) 3.535 3.110 ( 0.497 2.042 2.842) 3.535 3.185 ( -0.491 -3.504 0.009) 3.538 3.185 ( -0.491 3.504 0.009) 3.538 3.427 ( 1.263 -1.223 -0.018) 1.758 3.427 ( 1.263 1.223 -0.018) 1.758 3.541 ( 0.648 -3.542 -0.374) 3.620 3.541 ( 0.648 3.542 -0.374) 3.620 3.776 ( -1.851 -1.678 -3.886) 4.619 3.776 ( -1.851 1.678 -3.886) 4.619 4.077 ( 0.629 -7.059 -1.674) 7.282 4.077 ( 0.629 7.059 -1.674) 7.282 4.135 ( 4.273 -1.456 1.235) 4.680 4.135 ( 4.273 1.456 1.235) 4.680 4.365 ( -4.815 -6.697 1.230) 8.339 4.365 ( -4.815 6.697 1.230) 8.339 4.479 ( 2.080 -6.891 -1.151) 7.289 4.479 ( 2.080 6.891 -1.151) 7.289 4.614 ( -5.172 -5.748 -0.118) 7.733 4.614 ( -5.172 5.748 -0.118) 7.733 4.887 ( -0.957 -3.852 -4.922) 6.323 4.887 ( -0.957 3.852 -4.922) 6.323 5.016 ( -3.014 -0.654 2.148) 3.758 5.016 ( -3.014 0.654 2.148) 3.758 5.139 ( 3.090 -3.196 5.745) 7.264 5.139 ( 3.090 3.196 5.745) 7.264 5.430 ( 0.056 -6.576 -1.229) 6.690 5.430 ( 0.056 6.576 -1.229) 6.690 5.467 ( 5.386 -3.629 -0.965) 6.566 5.467 ( 5.386 3.629 -0.965) 6.566 5.666 ( 2.274 -4.101 -4.839) 6.739 5.666 ( 2.274 4.101 -4.839) 6.739 5.748 ( 1.675 -3.714 0.428) 4.097 5.748 ( 1.675 3.714 0.428) 4.097 5.854 ( 1.487 -11.183 2.425) 11.539 5.854 ( 1.487 11.183 2.425) 11.539 5.923 ( -0.606 -4.121 3.402) 5.378 5.923 ( -0.606 4.121 3.402) 5.378 5.995 ( -6.647 -5.737 -2.232) 9.060 5.995 ( -6.647 5.737 -2.232) 9.060 6.222 ( 0.402 -9.917 1.647) 10.060 6.222 ( 0.402 9.917 1.647) 10.060 6.367 ( -0.603 -0.118 5.879) 5.911 6.367 ( -0.603 0.118 5.879) 5.911 6.519 ( -1.934 -4.722 -0.551) 5.132 6.519 ( -1.934 4.722 -0.551) 5.132 6.582 ( 3.796 -2.964 2.661) 5.502 6.582 ( 3.796 2.964 2.661) 5.502 6.723 ( 0.740 -4.267 -1.050) 4.456 6.723 ( 0.740 4.267 -1.050) 4.456 6.881 ( -0.559 -7.745 0.319) 7.772 6.881 ( -0.559 7.745 0.319) 7.772 6.979 ( -2.672 -7.328 -7.848) 11.064 6.979 ( -2.672 7.328 -7.848) 11.064 7.088 ( -1.698 -1.253 -2.310) 3.128 7.088 ( -1.698 1.253 -2.310) 3.128 7.234 ( 2.220 -1.718 -2.745) 3.926 7.234 ( 2.220 1.718 -2.745) 3.926 7.413 ( -0.212 -2.446 0.201) 2.464 7.413 ( -0.212 2.446 0.201) 2.464 7.512 ( 2.272 -1.433 3.767) 4.626 7.512 ( 2.272 1.433 3.767) 4.626 7.714 ( 1.150 -0.881 0.111) 1.453 7.714 ( 1.150 0.881 0.111) 1.453 7.906 ( -2.430 -2.520 1.791) 3.932 7.906 ( -2.430 2.520 1.791) 3.932 8.015 ( -0.449 -4.095 -0.397) 4.139 8.015 ( -0.449 4.095 -0.397) 4.139 8.416 ( 2.782 -5.064 -0.797) 5.833 8.416 ( 2.782 5.064 -0.797) 5.833 8.487 ( -0.300 -5.525 -1.017) 5.626 8.487 ( -0.300 5.525 -1.017) 5.626 8.667 ( -2.089 -3.374 4.095) 5.702 8.667 ( -2.089 3.374 4.095) 5.702 8.836 ( 0.853 -2.317 0.253) 2.482 8.836 ( 0.853 2.317 0.253) 2.482 8.947 ( 1.003 -2.048 -0.725) 2.393 8.947 ( 1.003 2.048 -0.725) 2.393 9.079 ( -2.775 -3.091 -1.128) 4.304 9.079 ( -2.775 3.091 -1.128) 4.304 9.296 ( -0.831 -3.636 -0.565) 3.772 9.296 ( -0.831 3.636 -0.565) 3.772 9.526 ( 1.386 -0.417 0.157) 1.456 9.526 ( 1.386 0.417 0.157) 1.456 9.858 ( 0.073 -1.538 1.623) 2.237 9.858 ( 0.073 1.538 1.623) 2.237 9.947 ( 0.401 -3.167 -1.382) 3.479 9.947 ( 0.401 3.167 -1.382) 3.479 10.968 ( -0.233 -0.634 -0.542) 0.867 10.968 ( -0.233 0.634 -0.542) 0.867 11.011 ( 0.394 -2.433 0.164) 2.471 11.011 ( 0.394 2.433 0.164) 2.471 11.132 ( -0.347 -1.365 1.055) 1.760 11.132 ( -0.347 1.365 1.055) 1.760 11.250 ( 0.733 -0.660 -1.349) 1.671 11.250 ( 0.733 0.660 -1.349) 1.671 12.067 ( -1.015 -1.378 2.687) 3.186 12.067 ( -1.015 1.378 2.687) 3.186 12.209 ( 2.095 -4.773 1.712) 5.487 12.209 ( 2.095 4.773 1.712) 5.487 12.330 ( 1.028 -1.016 -0.647) 1.584 12.330 ( 1.028 1.016 -0.647) 1.584 12.488 ( -2.255 -1.762 -3.961) 4.886 12.488 ( -2.255 1.762 -3.961) 4.886 14.496 ( -0.018 -1.186 -0.425) 1.260 14.496 ( -0.018 1.186 -0.425) 1.260 14.588 ( -0.628 -2.334 1.492) 2.841 14.588 ( -0.628 2.334 1.492) 2.841 14.742 ( 0.149 -2.232 1.673) 2.794 14.742 ( 0.149 2.232 1.673) 2.794 14.852 ( 0.229 -2.805 -1.812) 3.348 14.852 ( 0.229 2.805 -1.812) 3.348 15.319 ( -0.653 -1.451 0.903) 1.829 15.319 ( -0.653 1.451 0.903) 1.829 15.432 ( -1.367 -0.602 -1.299) 1.979 15.432 ( -1.367 0.602 -1.299) 1.979 15.727 ( 1.616 -0.950 2.002) 2.743 15.727 ( 1.616 0.950 2.002) 2.743 15.906 ( 1.456 -1.846 -1.992) 3.082 15.906 ( 1.456 1.846 -1.992) 3.082 16.925 ( 1.419 -12.370 0.887) 12.482 16.925 ( 1.419 12.370 0.887) 12.482 17.252 ( -1.081 -1.415 -1.017) 2.051 17.252 ( -1.081 1.415 -1.017) 2.051 17.458 ( -0.056 -5.403 0.146) 5.406 17.458 ( -0.056 5.403 0.146) 5.406 17.679 ( -2.281 -3.001 -0.039) 3.769 17.679 ( -2.281 3.001 -0.039) 3.769 18.303 ( 0.113 -2.999 0.330) 3.019 18.303 ( 0.113 2.999 0.330) 3.019 18.368 ( -0.129 -2.022 -0.293) 2.048 18.368 ( -0.129 2.022 -0.293) 2.048 18.587 ( 0.262 -1.640 -0.015) 1.661 18.587 ( 0.262 1.640 -0.015) 1.661 18.605 ( 0.318 -1.334 -0.066) 1.373 18.605 ( 0.318 1.334 -0.066) 1.373 21.761 ( 0.498 -0.831 0.062) 0.971 21.761 ( 0.498 0.831 0.062) 0.971 21.815 ( -0.298 -2.385 -0.207) 2.412 21.815 ( -0.298 2.385 -0.207) 2.412 22.215 ( -1.139 -0.941 0.347) 1.518 22.215 ( -1.139 0.941 0.347) 1.518 22.391 ( -0.487 -1.814 0.059) 1.879 22.391 ( -0.487 1.814 0.059) 1.879 22.456 ( 0.689 -1.333 -0.538) 1.594 22.456 ( 0.689 1.333 -0.538) 1.594 22.913 ( -0.501 -0.617 0.054) 0.796 22.913 ( -0.501 0.617 0.054) 0.796 23.046 ( 0.885 -0.718 1.328) 1.750 23.046 ( 0.885 0.718 1.328) 1.750 23.151 ( 0.427 -0.533 -1.013) 1.222 23.151 ( 0.427 0.533 -1.013) 1.222 ======================= Grid point 86 (47/66) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.634 -7.128 1.308) 7.275 2.075 ( 0.634 7.128 1.308) 7.275 2.219 ( -1.087 -0.298 0.977) 1.492 2.219 ( -1.087 0.298 0.977) 1.492 2.442 ( -3.816 -6.746 2.402) 8.114 2.442 ( -3.816 6.746 2.402) 8.114 2.487 ( -0.185 -8.697 -0.724) 8.729 2.487 ( -0.185 8.697 -0.724) 8.729 2.621 ( 2.047 -5.413 -4.125) 7.107 2.621 ( 2.047 5.413 -4.125) 7.107 2.785 ( -0.052 -3.671 -4.111) 5.512 2.785 ( -0.052 3.671 -4.111) 5.512 2.865 ( 2.121 -5.316 5.685) 8.067 2.865 ( 2.121 5.316 5.685) 8.067 2.926 ( 3.532 -7.828 -0.666) 8.614 2.926 ( 3.532 7.828 -0.666) 8.614 3.099 ( -1.474 -3.834 2.348) 4.732 3.099 ( -1.474 3.834 2.348) 4.732 3.177 ( -0.840 -2.684 0.012) 2.812 3.177 ( -0.840 2.684 0.012) 2.812 3.482 ( 1.603 -3.066 1.583) 3.805 3.482 ( 1.603 3.066 1.583) 3.805 3.510 ( -0.728 -2.371 -1.552) 2.926 3.510 ( -0.728 2.371 -1.552) 2.926 3.752 ( -0.157 -1.786 -4.033) 4.414 3.752 ( -0.157 1.786 -4.033) 4.414 4.077 ( 0.372 -10.698 -2.698) 11.039 4.077 ( 0.372 10.698 -2.698) 11.039 4.136 ( -4.511 -3.330 1.815) 5.894 4.136 ( -4.511 3.330 1.815) 5.894 4.336 ( 1.435 -7.857 1.653) 8.156 4.336 ( 1.435 7.857 1.653) 8.156 4.496 ( 1.146 -8.016 -1.078) 8.169 4.496 ( 1.146 8.016 -1.078) 8.169 4.620 ( 4.845 -3.772 -0.367) 6.152 4.620 ( 4.845 3.772 -0.367) 6.152 4.844 ( -0.948 -1.321 -3.372) 3.743 4.844 ( -0.948 1.321 -3.372) 3.743 5.011 ( 2.350 -4.312 1.399) 5.106 5.011 ( 2.350 4.312 1.399) 5.106 5.210 ( 0.376 -4.401 6.139) 7.563 5.210 ( 0.376 4.401 6.139) 7.563 5.396 ( -2.907 -3.148 -2.291) 4.860 5.396 ( -2.907 3.148 -2.291) 4.860 5.547 ( 1.337 -6.882 -0.076) 7.011 5.547 ( 1.337 6.882 -0.076) 7.011 5.613 ( -2.861 -2.457 -4.797) 6.102 5.613 ( -2.861 2.457 -4.797) 6.102 5.735 ( -3.747 -1.356 -0.939) 4.094 5.735 ( -3.747 1.356 -0.939) 4.094 5.849 ( -1.273 -6.293 0.019) 6.420 5.849 ( -1.273 6.293 0.019) 6.420 5.888 ( -2.994 -7.303 5.096) 9.395 5.888 ( -2.994 7.303 5.096) 9.395 6.008 ( 4.960 -5.130 -0.248) 7.140 6.008 ( 4.960 5.130 -0.248) 7.140 6.221 ( -0.009 -8.690 1.210) 8.774 6.221 ( -0.009 8.690 1.210) 8.774 6.378 ( -2.074 -1.621 3.208) 4.150 6.378 ( -2.074 1.621 3.208) 4.150 6.525 ( 3.056 -5.576 5.310) 8.284 6.525 ( 3.056 5.576 5.310) 8.284 6.659 ( 1.539 -3.424 -1.571) 4.069 6.659 ( 1.539 3.424 -1.571) 4.069 6.722 ( -0.016 -4.062 1.003) 4.184 6.722 ( -0.016 4.062 1.003) 4.184 6.890 ( -0.132 -6.853 -0.418) 6.867 6.890 ( -0.132 6.853 -0.418) 6.867 6.901 ( 0.670 -8.047 -7.196) 10.817 6.901 ( 0.670 8.047 -7.196) 10.817 7.058 ( 0.431 -0.763 -3.100) 3.221 7.058 ( 0.431 0.763 -3.100) 3.221 7.234 ( -1.587 -2.840 -2.920) 4.371 7.234 ( -1.587 2.840 -2.920) 4.371 7.419 ( 0.454 -1.809 0.872) 2.058 7.419 ( 0.454 1.809 0.872) 2.058 7.556 ( 0.504 -1.621 2.530) 3.046 7.556 ( 0.504 1.621 2.530) 3.046 7.705 ( -1.508 -2.211 0.260) 2.689 7.705 ( -1.508 2.211 0.260) 2.689 7.893 ( 0.105 -0.393 1.671) 1.720 7.893 ( 0.105 0.393 1.671) 1.720 8.027 ( 1.733 -5.116 -0.338) 5.412 8.027 ( 1.733 5.116 -0.338) 5.412 8.436 ( -1.117 -4.273 -1.095) 4.550 8.436 ( -1.117 4.273 -1.095) 4.550 8.464 ( -0.477 -9.025 -0.718) 9.066 8.464 ( -0.477 9.025 -0.718) 9.066 8.645 ( -2.227 -4.821 3.742) 6.496 8.645 ( -2.227 4.821 3.742) 6.496 8.837 ( -0.623 -1.552 0.536) 1.756 8.837 ( -0.623 1.552 0.536) 1.756 8.975 ( 1.692 -3.164 -0.449) 3.616 8.975 ( 1.692 3.164 -0.449) 3.616 9.066 ( 2.125 -2.149 -1.288) 3.285 9.066 ( 2.125 2.149 -1.288) 3.285 9.291 ( 0.663 -3.669 -0.575) 3.772 9.291 ( 0.663 3.669 -0.575) 3.772 9.533 ( -0.760 -1.075 0.154) 1.325 9.533 ( -0.760 1.075 0.154) 1.325 9.861 ( -0.593 -1.400 1.770) 2.333 9.861 ( -0.593 1.400 1.770) 2.333 9.942 ( -0.108 -2.940 -1.530) 3.316 9.942 ( -0.108 2.940 -1.530) 3.316 10.962 ( -0.140 -0.929 -0.457) 1.044 10.962 ( -0.140 0.929 -0.457) 1.044 11.016 ( 0.120 -1.785 0.080) 1.790 11.016 ( 0.120 1.785 0.080) 1.790 11.138 ( 0.318 -1.245 1.137) 1.715 11.138 ( 0.318 1.245 1.137) 1.715 11.247 ( -0.323 -0.990 -1.435) 1.773 11.247 ( -0.323 0.990 -1.435) 1.773 12.044 ( -2.236 -4.905 2.254) 5.843 12.044 ( -2.236 4.905 2.254) 5.843 12.250 ( 0.345 -3.539 3.911) 5.286 12.250 ( 0.345 3.539 3.911) 5.286 12.317 ( -1.749 -1.236 -2.320) 3.158 12.317 ( -1.749 1.236 -2.320) 3.158 12.481 ( 3.708 -1.773 -4.050) 5.770 12.481 ( 3.708 1.773 -4.050) 5.770 14.494 ( -0.038 -1.549 -0.388) 1.598 14.494 ( -0.038 1.549 -0.388) 1.598 14.589 ( 0.135 -2.963 1.433) 3.294 14.589 ( 0.135 2.963 1.433) 3.294 14.746 ( -0.825 -1.903 1.849) 2.779 14.746 ( -0.825 1.903 1.849) 2.779 14.848 ( 0.498 -3.226 -1.969) 3.812 14.848 ( 0.498 3.226 -1.969) 3.812 15.339 ( 1.671 -1.082 1.706) 2.622 15.339 ( 1.671 1.082 1.706) 2.622 15.400 ( -0.366 -1.749 -2.035) 2.708 15.400 ( -0.366 1.749 -2.035) 2.708 15.762 ( -0.461 -1.647 2.787) 3.270 15.762 ( -0.461 1.647 2.787) 3.270 15.881 ( -1.697 -0.610 -2.841) 3.365 15.881 ( -1.697 0.610 -2.841) 3.365 16.980 ( 1.197 -4.554 1.601) 4.974 16.980 ( 1.197 4.554 1.601) 4.974 17.152 ( -2.834 -2.711 -1.675) 4.264 17.152 ( -2.834 2.711 -1.675) 4.264 17.496 ( -1.292 -3.386 0.146) 3.627 17.496 ( -1.292 3.386 0.146) 3.627 17.688 ( 5.113 -3.750 -0.098) 6.341 17.688 ( 5.113 3.750 -0.098) 6.341 18.309 ( 0.144 -2.515 0.410) 2.552 18.309 ( 0.144 2.515 0.410) 2.552 18.361 ( -0.279 -1.481 -0.372) 1.553 18.361 ( -0.279 1.481 -0.372) 1.553 18.583 ( -0.576 -1.303 -0.020) 1.425 18.583 ( -0.576 1.303 -0.020) 1.425 18.610 ( 0.148 -0.313 -0.061) 0.351 18.610 ( 0.148 0.313 -0.061) 0.351 21.759 ( -0.927 -0.703 0.056) 1.165 21.759 ( -0.927 0.703 0.056) 1.165 21.814 ( 0.552 -1.927 -0.199) 2.014 21.814 ( 0.552 1.927 -0.199) 2.014 22.221 ( 1.515 -0.178 0.360) 1.568 22.221 ( 1.515 0.178 0.360) 1.568 22.383 ( -0.386 -3.033 -0.002) 3.057 22.383 ( -0.386 3.033 -0.002) 3.057 22.461 ( 0.047 -2.077 -0.495) 2.136 22.461 ( 0.047 2.077 -0.495) 2.136 22.913 ( 0.405 -0.533 0.061) 0.672 22.913 ( 0.405 0.533 0.061) 0.672 23.051 ( -1.168 -0.552 1.409) 1.912 23.051 ( -1.168 0.552 1.409) 1.912 23.147 ( -0.230 -0.537 -1.100) 1.245 23.147 ( -0.230 0.537 -1.100) 1.245 ======================= Grid point 88 (48/66) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 0.777 -9.760 2.471) 10.098 2.100 ( 0.777 9.760 2.471) 10.098 2.201 ( -1.113 -2.729 1.457) 3.288 2.201 ( -1.113 2.729 1.457) 3.288 2.373 ( -3.160 -7.597 0.861) 8.273 2.373 ( -3.160 7.597 0.861) 8.273 2.529 ( 3.777 -9.672 1.137) 10.446 2.529 ( 3.777 9.672 1.137) 10.446 2.662 ( 3.548 -0.563 -4.363) 5.652 2.662 ( 3.548 0.563 -4.363) 5.652 2.715 ( -3.297 -1.570 -2.122) 4.224 2.715 ( -3.297 1.570 -2.122) 4.224 2.910 ( -0.506 -2.938 3.475) 4.579 2.910 ( -0.506 2.938 3.475) 4.579 2.973 ( -0.892 -5.129 0.157) 5.209 2.973 ( -0.892 5.129 0.157) 5.209 3.106 ( 0.954 -3.989 0.299) 4.112 3.106 ( 0.954 3.989 0.299) 4.112 3.177 ( 1.628 -4.670 -1.478) 5.162 3.177 ( 1.628 4.670 -1.478) 5.162 3.458 ( -0.119 -0.389 -1.959) 2.000 3.458 ( -0.119 0.389 -1.959) 2.000 3.540 ( 0.202 -3.915 -1.129) 4.080 3.540 ( 0.202 3.915 -1.129) 4.080 3.737 ( 1.369 -3.162 -0.591) 3.496 3.737 ( 1.369 3.162 -0.591) 3.496 4.030 ( -4.575 -7.305 1.068) 8.685 4.030 ( -4.575 7.305 1.068) 8.685 4.095 ( -0.416 -6.256 1.910) 6.554 4.095 ( -0.416 6.256 1.910) 6.554 4.349 ( -0.451 -7.418 -1.678) 7.619 4.349 ( -0.451 7.418 -1.678) 7.619 4.566 ( 5.969 -3.868 0.470) 7.128 4.566 ( 5.969 3.868 0.470) 7.128 4.713 ( 3.997 -2.097 -4.107) 6.102 4.713 ( 3.997 2.097 -4.107) 6.102 4.871 ( 5.604 -3.718 0.838) 6.778 4.871 ( 5.604 3.718 0.838) 6.778 5.077 ( 0.918 -4.364 2.186) 4.966 5.077 ( 0.918 4.364 2.186) 4.966 5.187 ( -3.517 -6.082 2.940) 7.616 5.187 ( -3.517 6.082 2.940) 7.616 5.286 ( -6.464 -1.810 -3.359) 7.506 5.286 ( -6.464 1.810 -3.359) 7.506 5.503 ( -4.523 -4.544 2.740) 6.972 5.503 ( -4.523 4.544 2.740) 6.972 5.578 ( 0.883 -4.083 -1.946) 4.608 5.578 ( 0.883 4.083 -1.946) 4.608 5.700 ( -0.782 -1.472 1.084) 1.988 5.700 ( -0.782 1.472 1.084) 1.988 5.819 ( -1.911 -3.542 -1.254) 4.215 5.819 ( -1.911 3.542 -1.254) 4.215 5.889 ( 2.213 -8.454 2.838) 9.188 5.889 ( 2.213 8.454 2.838) 9.188 6.040 ( -1.601 -5.068 -1.012) 5.410 6.040 ( -1.601 5.068 -1.012) 5.410 6.252 ( 0.783 -4.236 1.201) 4.472 6.252 ( 0.783 4.236 1.201) 4.472 6.339 ( -0.582 -3.214 -0.514) 3.307 6.339 ( -0.582 3.214 -0.514) 3.307 6.608 ( -1.722 -1.761 -2.895) 3.801 6.608 ( -1.722 1.761 -2.895) 3.801 6.646 ( 4.539 -3.758 3.890) 7.061 6.646 ( 4.539 3.758 3.890) 7.061 6.732 ( -2.155 -0.632 0.815) 2.389 6.732 ( -2.155 0.632 0.815) 2.389 6.868 ( 0.921 -2.911 -4.318) 5.288 6.868 ( 0.921 2.911 -4.318) 5.288 6.944 ( 2.581 -4.930 3.971) 6.836 6.944 ( 2.581 4.930 3.971) 6.836 7.081 ( 1.955 -3.433 -1.970) 4.415 7.081 ( 1.955 3.433 -1.970) 4.415 7.183 ( -0.398 -2.031 -2.711) 3.410 7.183 ( -0.398 2.031 -2.711) 3.410 7.418 ( -1.247 -2.483 1.011) 2.957 7.418 ( -1.247 2.483 1.011) 2.957 7.565 ( 0.591 -3.171 -0.692) 3.299 7.565 ( 0.591 3.171 -0.692) 3.299 7.666 ( -3.044 -3.831 -0.123) 4.895 7.666 ( -3.044 3.831 -0.123) 4.895 7.915 ( 1.097 -0.862 1.821) 2.294 7.915 ( 1.097 0.862 1.821) 2.294 8.058 ( 1.389 -5.101 -0.595) 5.320 8.058 ( 1.389 5.101 -0.595) 5.320 8.370 ( -3.684 -2.970 -1.588) 4.992 8.370 ( -3.684 2.970 -1.588) 4.992 8.481 ( 1.577 -4.580 -1.159) 4.980 8.481 ( 1.577 4.580 -1.159) 4.980 8.627 ( -0.647 -5.050 3.233) 6.031 8.627 ( -0.647 5.050 3.233) 6.031 8.826 ( -1.387 -2.769 2.412) 3.925 8.826 ( -1.387 2.769 2.412) 3.925 8.989 ( -0.610 -1.608 1.743) 2.448 8.989 ( -0.610 1.608 1.743) 2.448 9.126 ( 4.500 -3.865 -3.479) 6.877 9.126 ( 4.500 3.865 -3.479) 6.877 9.321 ( 2.858 -3.656 -0.672) 4.689 9.321 ( 2.858 3.656 -0.672) 4.689 9.496 ( -3.144 -1.713 0.053) 3.581 9.496 ( -3.144 1.713 0.053) 3.581 9.852 ( -1.004 -1.047 1.431) 2.037 9.852 ( -1.004 1.047 1.431) 2.037 9.935 ( 0.041 -1.773 -1.117) 2.096 9.935 ( 0.041 1.773 -1.117) 2.096 10.960 ( 0.223 -2.154 -0.211) 2.176 10.960 ( 0.223 2.154 -0.211) 2.176 11.015 ( -0.313 -0.679 -0.128) 0.758 11.015 ( -0.313 0.679 -0.128) 0.758 11.151 ( 0.519 -1.802 0.953) 2.103 11.151 ( 0.519 1.802 0.953) 2.103 11.229 ( -0.741 -1.172 -1.401) 1.971 11.229 ( -0.741 1.172 -1.401) 1.971 12.018 ( -1.129 -5.276 1.661) 5.646 12.018 ( -1.129 5.276 1.661) 5.646 12.220 ( -3.239 -3.779 0.118) 4.979 12.220 ( -3.239 3.779 0.118) 4.979 12.310 ( 0.263 -4.694 3.245) 5.713 12.310 ( 0.263 4.694 3.245) 5.713 12.545 ( 4.359 -1.323 -5.241) 6.944 12.545 ( 4.359 1.323 -5.241) 6.944 14.494 ( 0.121 -1.799 0.103) 1.806 14.494 ( 0.121 1.799 0.103) 1.806 14.602 ( 0.293 -2.955 1.335) 3.256 14.602 ( 0.293 2.955 1.335) 3.256 14.728 ( -1.408 -1.504 1.046) 2.311 14.728 ( -1.408 1.504 1.046) 2.311 14.855 ( 0.800 -3.844 -1.412) 4.173 14.855 ( 0.800 3.844 -1.412) 4.173 15.361 ( 0.645 -1.799 -0.218) 1.924 15.361 ( 0.645 1.799 -0.218) 1.924 15.435 ( 3.387 -1.383 0.864) 3.759 15.435 ( 3.387 1.383 0.864) 3.759 15.704 ( -4.627 -1.324 -0.471) 4.835 15.704 ( -4.627 1.324 -0.471) 4.835 15.859 ( -0.708 -0.933 -0.483) 1.267 15.859 ( -0.708 0.933 -0.483) 1.267 16.936 ( -2.419 -8.863 -1.881) 9.378 16.936 ( -2.419 8.863 -1.881) 9.378 17.192 ( 1.727 -10.113 3.337) 10.789 17.192 ( 1.727 10.113 3.337) 10.789 17.450 ( -0.575 -2.895 -0.295) 2.967 17.450 ( -0.575 2.895 -0.295) 2.967 17.798 ( 4.659 -5.548 -1.391) 7.377 17.798 ( 4.659 5.548 -1.391) 7.377 18.306 ( -0.369 -2.935 -0.078) 2.959 18.306 ( -0.369 2.935 -0.078) 2.959 18.360 ( 0.165 -1.780 0.218) 1.801 18.360 ( 0.165 1.780 0.218) 1.801 18.570 ( -0.673 -1.391 0.206) 1.559 18.570 ( -0.673 1.391 0.206) 1.559 18.608 ( -0.185 -0.764 -0.432) 0.897 18.608 ( -0.185 0.764 -0.432) 0.897 21.739 ( -0.786 -0.948 0.192) 1.246 21.739 ( -0.786 0.948 0.192) 1.246 21.825 ( 0.341 -1.916 -0.080) 1.948 21.825 ( 0.341 1.916 -0.080) 1.948 22.267 ( 2.843 -0.708 0.079) 2.931 22.267 ( 2.843 0.708 0.079) 2.931 22.372 ( -0.778 -2.551 -0.426) 2.700 22.372 ( -0.778 2.551 -0.426) 2.700 22.457 ( -0.210 -2.439 0.041) 2.448 22.457 ( -0.210 2.439 0.041) 2.448 22.929 ( 1.290 -1.032 0.129) 1.657 22.929 ( 1.290 1.032 0.129) 1.657 23.017 ( -2.675 -1.423 0.915) 3.165 23.017 ( -2.675 1.423 0.915) 3.165 23.137 ( -0.265 -0.203 -0.687) 0.764 23.137 ( -0.265 0.203 -0.687) 0.764 ======================= Grid point 110 (49/66) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 11.143 0.000 -17.531) 20.772 0.874 ( -11.143 0.000 17.531) 20.772 1.078 ( 9.977 0.000 -20.877) 23.138 1.078 ( -9.977 0.000 20.877) 23.138 1.520 ( -8.488 0.000 -31.759) 32.873 1.520 ( 8.488 0.000 31.759) 32.873 1.798 ( -5.006 0.000 -1.796) 5.318 1.798 ( 5.006 0.000 1.796) 5.318 1.917 ( 0.450 0.000 -5.140) 5.159 1.917 ( -0.450 0.000 5.140) 5.159 2.234 ( 10.076 0.000 -4.903) 11.205 2.234 ( -10.076 0.000 4.903) 11.205 2.521 ( -3.750 0.000 -4.154) 5.596 2.521 ( 3.750 0.000 4.154) 5.596 2.798 ( 0.621 0.000 -8.748) 8.770 2.798 ( -0.621 0.000 8.748) 8.770 3.138 ( 0.139 0.000 -4.656) 4.658 3.138 ( -0.139 0.000 4.656) 4.658 3.338 ( 0.329 0.000 -0.755) 0.824 3.338 ( -0.329 0.000 0.755) 0.824 3.509 ( -3.730 0.000 -1.045) 3.873 3.509 ( 3.730 0.000 1.045) 3.873 3.893 ( 2.942 0.000 -2.973) 4.183 3.893 ( -2.942 0.000 2.973) 4.183 4.070 ( 6.747 0.000 -5.090) 8.452 4.070 ( -6.747 0.000 5.090) 8.452 4.108 ( -4.669 0.000 -0.871) 4.750 4.108 ( 4.669 0.000 0.871) 4.750 4.270 ( -4.559 0.000 -5.797) 7.375 4.270 ( 4.559 0.000 5.797) 7.375 4.527 ( -0.101 0.000 -9.911) 9.911 4.527 ( 0.101 0.000 9.911) 9.911 4.681 ( -0.947 0.000 -0.845) 1.269 4.681 ( 0.947 0.000 0.845) 1.269 4.806 ( -0.103 0.000 -3.086) 3.088 4.806 ( 0.103 0.000 3.086) 3.088 5.030 ( -3.966 0.000 -2.827) 4.870 5.030 ( 3.966 0.000 2.827) 4.870 5.087 ( 0.309 0.000 -1.317) 1.353 5.087 ( -0.309 0.000 1.317) 1.353 5.162 ( -3.836 0.000 -4.992) 6.295 5.162 ( 3.836 0.000 4.992) 6.295 5.321 ( -7.912 0.000 -6.627) 10.321 5.321 ( 7.912 0.000 6.627) 10.321 5.522 ( 5.452 0.000 -2.088) 5.838 5.522 ( -5.452 0.000 2.088) 5.838 5.562 ( 0.333 0.000 -0.793) 0.860 5.562 ( -0.333 0.000 0.793) 0.860 5.706 ( -6.931 0.000 -7.115) 9.933 5.706 ( 6.931 0.000 7.115) 9.933 5.790 ( 2.223 0.000 -4.594) 5.104 5.790 ( -2.223 0.000 4.594) 5.104 5.896 ( 5.776 0.000 -3.712) 6.866 5.896 ( -5.776 0.000 3.712) 6.866 6.053 ( 1.654 0.000 -0.739) 1.811 6.053 ( -1.654 0.000 0.739) 1.811 6.113 ( 2.360 0.000 -2.327) 3.315 6.113 ( -2.360 0.000 2.327) 3.315 6.264 ( -2.349 0.000 -4.022) 4.658 6.264 ( 2.349 0.000 4.022) 4.658 6.362 ( -1.510 0.000 -0.407) 1.563 6.362 ( 1.510 0.000 0.407) 1.563 6.614 ( 0.915 0.000 -1.401) 1.674 6.614 ( -0.915 0.000 1.401) 1.674 6.757 ( 3.139 0.000 -4.546) 5.524 6.757 ( -3.139 0.000 4.546) 5.524 7.006 ( -0.239 0.000 -0.548) 0.598 7.006 ( 0.239 0.000 0.548) 0.598 7.030 ( 2.388 0.000 -1.438) 2.787 7.030 ( -2.388 0.000 1.438) 2.787 7.316 ( 0.785 0.000 -2.054) 2.199 7.316 ( -0.785 0.000 2.054) 2.199 7.336 ( -7.339 0.000 -2.931) 7.903 7.336 ( 7.339 0.000 2.931) 7.903 7.589 ( -2.562 0.000 -1.481) 2.959 7.589 ( 2.562 0.000 1.481) 2.959 7.765 ( -6.548 0.000 -1.891) 6.815 7.765 ( 6.548 0.000 1.891) 6.815 7.978 ( 2.007 0.000 -1.587) 2.559 7.978 ( -2.007 0.000 1.587) 2.559 8.151 ( -2.238 0.000 -1.466) 2.675 8.151 ( 2.238 0.000 1.466) 2.675 8.271 ( 0.725 0.000 -1.523) 1.687 8.271 ( -0.725 0.000 1.523) 1.687 8.316 ( -2.625 0.000 -0.225) 2.635 8.316 ( 2.625 0.000 0.225) 2.635 8.538 ( -0.276 0.000 -0.498) 0.569 8.538 ( 0.276 0.000 0.498) 0.569 8.594 ( 1.834 0.000 -2.988) 3.506 8.594 ( -1.834 0.000 2.988) 3.506 8.695 ( -0.149 0.000 -0.651) 0.668 8.695 ( 0.149 0.000 0.651) 0.668 9.384 ( -1.115 0.000 -0.015) 1.115 9.384 ( 1.115 0.000 0.015) 1.115 9.468 ( -0.901 0.000 -0.074) 0.904 9.468 ( 0.901 0.000 0.074) 0.904 9.740 ( -2.896 0.000 -2.262) 3.675 9.740 ( 2.896 0.000 2.262) 3.675 9.789 ( 1.930 0.000 -3.500) 3.997 9.789 ( -1.930 0.000 3.500) 3.997 9.984 ( -2.812 0.000 -1.426) 3.153 9.984 ( 2.812 0.000 1.426) 3.153 9.994 ( 0.865 0.000 -2.520) 2.664 9.994 ( -0.865 0.000 2.520) 2.664 10.883 ( -0.956 0.000 -2.788) 2.948 10.883 ( 0.956 0.000 2.788) 2.948 10.937 ( 0.229 0.000 -2.169) 2.181 10.937 ( -0.229 0.000 2.169) 2.181 10.990 ( -1.959 0.000 -2.546) 3.213 10.990 ( 1.959 0.000 2.546) 3.213 11.109 ( -0.864 0.000 -0.252) 0.900 11.109 ( 0.864 0.000 0.252) 0.900 11.228 ( -9.995 0.000 -0.852) 10.031 11.228 ( 9.995 0.000 0.852) 10.031 11.368 ( 3.320 0.000 -2.658) 4.253 11.368 ( -3.320 0.000 2.658) 4.253 11.933 ( -2.120 0.000 -2.282) 3.115 11.933 ( 2.120 0.000 2.282) 3.115 12.065 ( 1.727 0.000 -1.094) 2.045 12.065 ( -1.727 0.000 1.094) 2.045 14.005 ( 1.078 0.000 -1.155) 1.580 14.005 ( -1.078 0.000 1.155) 1.580 14.047 ( -0.952 0.000 -1.859) 2.089 14.047 ( 0.952 0.000 1.859) 2.089 14.666 ( -0.162 0.000 -1.764) 1.771 14.666 ( 0.162 0.000 1.764) 1.771 14.729 ( 1.727 0.000 -1.425) 2.239 14.729 ( -1.727 0.000 1.425) 2.239 14.846 ( -1.084 0.000 -0.233) 1.109 14.846 ( 1.084 0.000 0.233) 1.109 14.967 ( 0.886 0.000 -2.248) 2.416 14.967 ( -0.886 0.000 2.248) 2.416 15.394 ( -3.660 0.000 -4.996) 6.193 15.394 ( 3.660 0.000 4.996) 6.193 15.607 ( -10.311 0.000 0.495) 10.323 15.607 ( 10.311 0.000 -0.495) 10.323 16.749 ( -17.383 0.000 -3.574) 17.747 16.749 ( 17.383 0.000 3.574) 17.747 17.172 ( 5.731 0.000 -2.504) 6.255 17.172 ( -5.731 0.000 2.504) 6.255 17.660 ( -7.114 0.000 -0.356) 7.122 17.660 ( 7.114 0.000 0.356) 7.122 17.842 ( -13.456 0.000 -0.508) 13.466 17.842 ( 13.456 0.000 0.508) 13.466 18.046 ( -3.150 0.000 0.027) 3.150 18.046 ( 3.150 0.000 -0.027) 3.150 18.138 ( -6.850 0.000 -0.396) 6.862 18.138 ( 6.850 0.000 0.396) 6.862 18.650 ( -0.378 0.000 -0.093) 0.389 18.650 ( 0.378 0.000 0.093) 0.389 18.728 ( -0.382 0.000 -0.101) 0.395 18.728 ( 0.382 0.000 0.101) 0.395 21.716 ( 0.626 0.000 -0.368) 0.726 21.716 ( -0.626 0.000 0.368) 0.726 21.887 ( -12.227 0.000 -0.398) 12.233 21.887 ( 12.227 0.000 0.398) 12.233 22.324 ( -1.504 0.000 -0.444) 1.568 22.324 ( 1.504 0.000 0.444) 1.568 22.568 ( -8.074 0.000 2.294) 8.394 22.568 ( 8.074 0.000 -2.294) 8.394 22.811 ( -3.649 0.000 -0.278) 3.660 22.811 ( 3.649 0.000 0.278) 3.660 22.972 ( -0.013 0.000 -3.332) 3.332 22.972 ( 0.013 0.000 3.332) 3.332 23.290 ( -0.161 0.000 -2.601) 2.606 23.290 ( 0.161 0.000 2.601) 2.606 23.486 ( -2.156 0.000 -0.647) 2.251 23.486 ( 2.156 0.000 0.647) 2.251 ======================= Grid point 112 (50/66) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 3.561 0.000 14.329) 14.765 0.929 ( 1.425 0.000 -21.530) 21.578 1.061 ( 2.167 0.000 19.359) 19.480 1.220 ( 14.527 0.000 -21.256) 25.746 1.496 ( 18.736 0.000 -22.193) 29.044 1.600 ( -12.351 0.000 0.494) 12.361 1.780 ( -9.637 0.000 4.247) 10.531 1.793 ( -8.647 0.000 -4.403) 9.704 1.854 ( -7.092 0.000 7.968) 10.666 1.925 ( 13.604 0.000 20.536) 24.633 2.128 ( -5.298 0.000 8.305) 9.851 2.420 ( 4.854 0.000 -8.064) 9.412 2.471 ( 6.890 0.000 -1.409) 7.032 2.608 ( 3.785 0.000 0.380) 3.804 2.627 ( -12.953 0.000 -8.899) 15.716 2.729 ( -6.469 0.000 6.007) 8.828 3.130 ( -5.604 0.000 6.800) 8.812 3.140 ( -0.221 0.000 0.296) 0.369 3.294 ( -2.951 0.000 -3.273) 4.407 3.296 ( -3.043 0.000 -0.132) 3.046 3.487 ( 1.245 0.000 1.366) 1.849 3.569 ( 1.155 0.000 0.395) 1.221 3.758 ( -7.776 0.000 6.504) 10.137 3.845 ( -3.766 0.000 -2.282) 4.403 3.979 ( -5.578 0.000 2.491) 6.109 4.029 ( -5.267 0.000 -2.166) 5.695 4.106 ( 4.429 0.000 5.535) 7.089 4.207 ( 6.103 0.000 -7.103) 9.365 4.315 ( 5.152 0.000 -2.103) 5.564 4.387 ( 0.636 0.000 6.993) 7.022 4.519 ( 2.467 0.000 -4.870) 5.459 4.607 ( 2.463 0.000 8.291) 8.649 4.657 ( -1.954 0.000 -0.460) 2.007 4.731 ( 4.856 0.000 3.408) 5.933 4.764 ( -3.554 0.000 -7.907) 8.669 4.847 ( 3.718 0.000 -2.162) 4.301 4.954 ( -1.050 0.000 -0.908) 1.389 5.051 ( 0.038 0.000 4.600) 4.600 5.074 ( -2.698 0.000 1.234) 2.966 5.139 ( 3.653 0.000 -6.261) 7.249 5.190 ( 7.001 0.000 1.061) 7.080 5.198 ( -0.297 0.000 0.129) 0.324 5.221 ( -0.581 0.000 -0.695) 0.906 5.410 ( -4.552 0.000 -0.678) 4.603 5.438 ( 1.540 0.000 3.378) 3.712 5.527 ( -2.122 0.000 1.410) 2.548 5.568 ( 0.144 0.000 -0.451) 0.473 5.587 ( -1.542 0.000 -5.659) 5.865 5.614 ( 2.826 0.000 -2.659) 3.881 5.748 ( -8.567 0.000 2.166) 8.837 5.833 ( 2.772 0.000 1.358) 3.087 5.842 ( 1.344 0.000 5.464) 5.627 5.850 ( -0.261 0.000 3.502) 3.512 5.965 ( 2.119 0.000 -3.794) 4.345 6.004 ( 1.383 0.000 -0.110) 1.387 6.071 ( -2.937 0.000 1.346) 3.231 6.080 ( 1.446 0.000 1.461) 2.056 6.137 ( 1.587 0.000 -0.305) 1.616 6.247 ( 3.521 0.000 -4.683) 5.859 6.335 ( 3.246 0.000 3.545) 4.807 6.397 ( 4.114 0.000 0.598) 4.158 6.457 ( 6.342 0.000 -0.585) 6.369 6.574 ( -2.383 0.000 -0.766) 2.503 6.588 ( -2.833 0.000 0.882) 2.967 6.706 ( -2.474 0.000 -1.864) 3.098 6.772 ( 0.900 0.000 -4.301) 4.395 6.968 ( -3.481 0.000 3.625) 5.026 7.013 ( -0.208 0.000 1.502) 1.516 7.045 ( 1.204 0.000 3.492) 3.693 7.059 ( -0.004 0.000 -1.514) 1.514 7.198 ( -4.053 0.000 -3.802) 5.557 7.266 ( -5.651 0.000 -2.569) 6.207 7.314 ( -0.586 0.000 0.275) 0.647 7.455 ( 3.269 0.000 -0.934) 3.400 7.530 ( -1.320 0.000 -2.049) 2.437 7.618 ( 0.796 0.000 5.037) 5.100 7.744 ( 4.237 0.000 1.358) 4.450 7.896 ( 5.405 0.000 -1.613) 5.640 7.908 ( -4.617 0.000 -2.890) 5.447 7.969 ( -2.052 0.000 -2.234) 3.033 8.111 ( -1.181 0.000 0.464) 1.268 8.158 ( -2.628 0.000 1.264) 2.916 8.178 ( -5.469 0.000 1.488) 5.668 8.254 ( -0.232 0.000 -2.489) 2.500 8.339 ( 2.680 0.000 1.603) 3.123 8.363 ( 1.909 0.000 0.845) 2.087 8.508 ( -2.283 0.000 -0.782) 2.413 8.514 ( -2.832 0.000 0.736) 2.926 8.604 ( 1.139 0.000 2.725) 2.954 8.635 ( 3.450 0.000 -3.634) 5.011 8.691 ( -0.014 0.000 -1.076) 1.076 8.701 ( -0.082 0.000 1.186) 1.189 9.363 ( -0.851 0.000 0.149) 0.864 9.388 ( -0.717 0.000 0.275) 0.768 9.474 ( 1.589 0.000 -0.763) 1.762 9.493 ( 1.548 0.000 -0.863) 1.773 9.721 ( 1.412 0.000 -2.664) 3.015 9.769 ( -1.524 0.000 2.933) 3.305 9.804 ( 1.172 0.000 -3.405) 3.602 9.840 ( 5.407 0.000 -0.890) 5.480 9.917 ( -1.809 0.000 -1.827) 2.571 9.990 ( 0.554 0.000 -2.931) 2.983 9.996 ( -0.960 0.000 4.331) 4.436 10.034 ( 1.113 0.000 1.168) 1.614 10.828 ( -2.885 0.000 -3.497) 4.534 10.838 ( -8.522 0.000 5.487) 10.135 10.940 ( -0.037 0.000 2.500) 2.501 10.944 ( 1.380 0.000 -2.055) 2.475 10.980 ( 1.435 0.000 0.203) 1.450 11.031 ( 0.886 0.000 2.440) 2.596 11.104 ( 2.686 0.000 5.007) 5.682 11.119 ( 0.728 0.000 -0.104) 0.735 11.127 ( 0.197 0.000 -0.508) 0.545 11.279 ( -1.599 0.000 -3.276) 3.645 11.328 ( -3.876 0.000 4.315) 5.800 11.458 ( 1.570 0.000 2.157) 2.668 11.900 ( -0.119 0.000 -1.877) 1.880 11.976 ( 0.938 0.000 0.735) 1.192 12.038 ( -1.528 0.000 2.528) 2.954 12.084 ( 0.717 0.000 -1.219) 1.414 13.980 ( -1.442 0.000 0.990) 1.749 13.987 ( -1.260 0.000 -0.952) 1.579 14.062 ( 2.205 0.000 -1.869) 2.891 14.085 ( 1.324 0.000 1.670) 2.131 14.651 ( -0.241 0.000 -2.483) 2.494 14.658 ( -1.682 0.000 1.244) 2.092 14.718 ( -0.040 0.000 2.303) 2.303 14.748 ( 0.913 0.000 -2.041) 2.236 14.838 ( 0.271 0.000 0.019) 0.272 14.869 ( 1.046 0.000 -0.632) 1.223 14.985 ( 1.746 0.000 1.250) 2.148 14.996 ( 2.555 0.000 -0.586) 2.622 15.309 ( -3.184 0.000 -3.767) 4.932 15.401 ( -8.325 0.000 2.111) 8.589 15.517 ( 3.224 0.000 6.659) 7.399 15.762 ( 3.442 0.000 3.352) 4.805 16.448 ( -7.652 0.000 -6.481) 10.028 16.882 ( -6.253 0.000 -4.527) 7.720 17.199 ( 10.479 0.000 0.531) 10.493 17.234 ( 2.372 0.000 -6.210) 6.647 17.509 ( -16.923 0.000 5.377) 17.757 17.565 ( -3.935 0.000 3.640) 5.360 17.836 ( 9.108 0.000 5.370) 10.573 17.940 ( 0.997 0.000 0.826) 1.295 18.010 ( -1.109 0.000 -0.093) 1.113 18.079 ( 0.807 0.000 -0.833) 1.159 18.098 ( -0.518 0.000 1.428) 1.519 18.340 ( 5.331 0.000 3.461) 6.356 18.628 ( -1.558 0.000 0.082) 1.560 18.654 ( 0.130 0.000 0.144) 0.193 18.721 ( 0.000 0.000 -0.081) 0.081 18.728 ( -0.257 0.000 -0.133) 0.289 21.628 ( -4.307 0.000 -2.167) 4.821 21.702 ( -1.144 0.000 -1.026) 1.537 21.800 ( 2.370 0.000 -2.497) 3.443 22.089 ( 8.199 0.000 -6.593) 10.521 22.196 ( -9.358 0.000 2.022) 9.574 22.308 ( -2.007 0.000 1.119) 2.298 22.550 ( 2.593 0.000 4.284) 5.008 22.735 ( 5.522 0.000 -0.824) 5.583 22.769 ( 0.486 0.000 1.534) 1.610 22.893 ( 3.866 0.000 -1.971) 4.340 22.967 ( 1.981 0.000 -3.149) 3.720 22.992 ( 0.720 0.000 3.833) 3.900 23.281 ( 0.517 0.000 -2.826) 2.873 23.307 ( 0.173 0.000 2.426) 2.433 23.424 ( -3.639 0.000 1.233) 3.842 23.488 ( -1.857 0.000 -0.778) 2.014 ======================= Grid point 113 (51/66) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 12.199 0.000 -8.477) 14.855 1.109 ( 16.139 0.000 3.731) 16.564 1.247 ( -11.218 0.000 -1.831) 11.366 1.259 ( 10.287 0.000 11.688) 15.571 1.483 ( 3.021 0.000 -9.204) 9.687 1.495 ( -18.243 0.000 -0.483) 18.250 1.573 ( -3.877 0.000 -11.053) 11.713 1.713 ( -11.406 0.000 12.568) 16.972 1.877 ( 22.851 0.000 -8.861) 24.509 2.100 ( -2.335 0.000 13.355) 13.558 2.124 ( 1.709 0.000 -5.062) 5.343 2.284 ( -19.632 0.000 -3.015) 19.863 2.490 ( 7.981 0.000 2.990) 8.523 2.616 ( -3.069 0.000 -0.976) 3.220 2.642 ( 6.452 0.000 -1.375) 6.597 2.692 ( -1.295 0.000 4.225) 4.419 3.061 ( -2.047 0.000 5.230) 5.617 3.101 ( -3.073 0.000 -1.881) 3.603 3.232 ( -0.750 0.000 -5.353) 5.406 3.239 ( -2.954 0.000 1.647) 3.382 3.525 ( 0.764 0.000 4.855) 4.915 3.558 ( -0.955 0.000 -2.915) 3.067 3.721 ( 0.200 0.000 4.668) 4.672 3.771 ( -2.808 0.000 -2.789) 3.958 3.926 ( -1.470 0.000 3.914) 4.181 3.952 ( -1.968 0.000 -3.614) 4.115 4.238 ( 3.287 0.000 10.552) 11.052 4.253 ( 4.553 0.000 -12.524) 13.325 4.379 ( -1.546 0.000 5.454) 5.668 4.389 ( 2.838 0.000 -0.496) 2.881 4.545 ( 0.018 0.000 -0.493) 0.493 4.597 ( -4.577 0.000 -4.023) 6.093 4.606 ( -0.122 0.000 -2.219) 2.222 4.653 ( -3.913 0.000 0.227) 3.920 4.852 ( 2.262 0.000 8.202) 8.508 4.885 ( 1.758 0.000 -6.229) 6.472 4.991 ( 4.081 0.000 2.333) 4.701 5.099 ( 0.171 0.000 6.736) 6.738 5.111 ( 6.890 0.000 -6.095) 9.200 5.114 ( -6.327 0.000 0.717) 6.367 5.170 ( 2.863 0.000 -1.395) 3.185 5.285 ( -1.157 0.000 -4.687) 4.828 5.292 ( 7.290 0.000 3.118) 7.929 5.392 ( 4.157 0.000 -4.867) 6.401 5.432 ( -4.128 0.000 0.928) 4.231 5.485 ( -5.584 0.000 6.320) 8.433 5.527 ( 1.968 0.000 -5.394) 5.742 5.562 ( -0.382 0.000 -0.245) 0.453 5.606 ( -2.736 0.000 -2.911) 3.995 5.713 ( 8.637 0.000 -2.558) 9.008 5.713 ( -12.676 0.000 8.372) 15.191 5.844 ( -3.526 0.000 0.816) 3.620 5.892 ( 1.024 0.000 4.602) 4.715 5.941 ( -3.752 0.000 -1.681) 4.111 6.010 ( 2.850 0.000 -3.455) 4.479 6.057 ( -2.978 0.000 1.645) 3.403 6.151 ( 6.530 0.000 -1.522) 6.705 6.203 ( 0.671 0.000 3.632) 3.694 6.328 ( 6.232 0.000 -3.343) 7.072 6.403 ( 1.053 0.000 2.692) 2.891 6.454 ( -3.214 0.000 -0.981) 3.360 6.468 ( 0.365 0.000 -1.380) 1.427 6.591 ( 6.015 0.000 3.749) 7.087 6.623 ( 5.303 0.000 -1.511) 5.514 6.675 ( -0.259 0.000 -0.656) 0.706 6.760 ( -1.519 0.000 -7.506) 7.658 6.908 ( -7.186 0.000 0.540) 7.206 6.918 ( -4.405 0.000 3.905) 5.887 7.055 ( 1.419 0.000 2.065) 2.505 7.084 ( 1.496 0.000 1.333) 2.003 7.137 ( -3.975 0.000 -3.717) 5.442 7.158 ( -2.709 0.000 -0.943) 2.869 7.357 ( 5.468 0.000 2.322) 5.940 7.457 ( -2.870 0.000 0.137) 2.873 7.538 ( 3.130 0.000 -3.205) 4.480 7.607 ( -4.093 0.000 1.139) 4.248 7.812 ( 1.058 0.000 0.210) 1.078 7.883 ( 3.607 0.000 2.803) 4.568 7.883 ( -5.093 0.000 -1.389) 5.279 7.936 ( -0.079 0.000 -2.858) 2.859 8.093 ( -0.402 0.000 0.090) 0.412 8.109 ( -1.934 0.000 -0.050) 1.935 8.172 ( 2.090 0.000 5.471) 5.856 8.234 ( -1.182 0.000 -3.685) 3.869 8.399 ( 1.909 0.000 -0.434) 1.957 8.400 ( 2.704 0.000 0.801) 2.821 8.455 ( -3.491 0.000 1.768) 3.913 8.458 ( -2.148 0.000 -1.554) 2.651 8.644 ( 1.568 0.000 2.367) 2.840 8.670 ( 0.741 0.000 -1.906) 2.045 8.684 ( 0.897 0.000 -3.144) 3.269 8.698 ( -1.128 0.000 2.290) 2.553 9.358 ( 0.345 0.000 -0.071) 0.352 9.372 ( -0.999 0.000 0.250) 1.030 9.501 ( 1.193 0.000 -0.265) 1.222 9.510 ( 0.410 0.000 -0.495) 0.643 9.746 ( 1.872 0.000 -2.132) 2.837 9.760 ( -0.868 0.000 2.400) 2.552 9.807 ( 0.814 0.000 -2.109) 2.261 9.831 ( -2.151 0.000 -0.801) 2.296 9.966 ( 2.236 0.000 1.172) 2.525 9.984 ( 0.150 0.000 -2.657) 2.661 10.007 ( 1.295 0.000 2.168) 2.525 10.040 ( -0.731 0.000 -0.203) 0.758 10.741 ( -3.371 0.000 6.680) 7.483 10.760 ( -1.892 0.000 -4.715) 5.081 10.956 ( 0.324 0.000 1.884) 1.912 10.960 ( 0.997 0.000 -2.149) 2.369 11.025 ( 2.232 0.000 1.861) 2.906 11.060 ( -0.354 0.000 0.461) 0.581 11.121 ( 2.059 0.000 0.568) 2.136 11.147 ( 2.514 0.000 -2.743) 3.721 11.216 ( -2.593 0.000 -1.791) 3.152 11.226 ( 0.919 0.000 5.409) 5.486 11.275 ( 0.380 0.000 5.405) 5.418 11.401 ( -5.379 0.000 -5.409) 7.628 11.913 ( 1.975 0.000 -0.924) 2.181 11.956 ( -2.484 0.000 0.108) 2.486 12.051 ( 1.083 0.000 2.636) 2.850 12.079 ( -0.534 0.000 -1.868) 1.943 13.966 ( -0.529 0.000 0.930) 1.070 13.968 ( -0.338 0.000 -0.882) 0.944 14.091 ( 1.500 0.000 -1.527) 2.141 14.101 ( -0.235 0.000 1.269) 1.290 14.636 ( -1.071 0.000 2.084) 2.343 14.637 ( 0.121 0.000 -2.716) 2.719 14.734 ( 0.216 0.000 2.826) 2.834 14.747 ( 0.223 0.000 -2.804) 2.813 14.852 ( 0.940 0.000 0.686) 1.164 14.871 ( -0.345 0.000 -1.311) 1.356 15.032 ( 2.747 0.000 -1.540) 3.149 15.041 ( 1.102 0.000 2.379) 2.622 15.248 ( -1.584 0.000 -1.559) 2.222 15.271 ( -4.978 0.000 0.908) 5.060 15.628 ( 4.864 0.000 5.697) 7.491 15.739 ( -4.426 0.000 -2.548) 5.107 16.462 ( 7.591 0.000 3.392) 8.314 16.672 ( -10.958 0.000 -6.545) 12.764 17.238 ( 2.292 0.000 -6.400) 6.798 17.297 ( -7.269 0.000 5.817) 9.310 17.399 ( 7.960 0.000 -1.000) 8.023 17.509 ( -4.637 0.000 2.955) 5.498 17.959 ( 0.928 0.000 1.140) 1.470 17.984 ( -0.621 0.000 -1.645) 1.758 18.034 ( 6.269 0.000 6.685) 9.164 18.082 ( 0.009 0.000 -1.155) 1.155 18.116 ( 2.762 0.000 4.008) 4.867 18.280 ( -7.810 0.000 -6.909) 10.428 18.633 ( 1.036 0.000 1.605) 1.910 18.653 ( -0.414 0.000 -0.400) 0.576 18.722 ( -0.067 0.000 0.041) 0.078 18.722 ( -0.157 0.000 -0.249) 0.295 21.616 ( 1.870 0.000 1.373) 2.319 21.666 ( -1.974 0.000 -2.241) 2.986 21.869 ( 5.625 0.000 -1.330) 5.780 21.998 ( -8.368 0.000 0.081) 8.369 22.212 ( 4.597 0.000 -3.004) 5.492 22.270 ( -2.936 0.000 2.198) 3.668 22.631 ( 3.432 0.000 4.451) 5.621 22.707 ( -2.431 0.000 -3.864) 4.565 22.853 ( 2.303 0.000 4.607) 5.151 22.898 ( -0.454 0.000 -4.677) 4.699 23.026 ( 3.576 0.000 -3.142) 4.761 23.032 ( 0.775 0.000 4.573) 4.638 23.281 ( 1.088 0.000 -3.510) 3.675 23.300 ( -2.096 0.000 2.647) 3.376 23.395 ( -0.096 0.000 3.134) 3.135 23.433 ( -2.293 0.000 -2.968) 3.751 ======================= Grid point 116 (52/66) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 6.858 11.162 -15.906) 20.607 0.946 ( -6.858 11.162 15.906) 20.607 1.269 ( -4.962 9.948 -25.492) 27.810 1.269 ( 4.962 9.948 25.492) 27.810 1.722 ( -1.668 9.262 -10.043) 13.763 1.722 ( 1.668 9.262 10.043) 13.763 1.870 ( -0.274 17.192 -10.247) 20.016 1.870 ( 0.274 17.192 10.247) 20.016 2.110 ( 1.222 18.223 -3.430) 18.583 2.110 ( -1.222 18.223 3.430) 18.583 2.351 ( 6.595 10.811 -4.341) 13.387 2.351 ( -6.595 10.811 4.341) 13.387 2.555 ( -4.646 5.056 -2.940) 7.470 2.555 ( 4.646 5.056 2.940) 7.470 2.766 ( -1.665 -2.160 -9.169) 9.566 2.766 ( 1.665 -2.160 9.169) 9.566 3.143 ( 0.503 -0.053 -6.248) 6.269 3.143 ( -0.503 -0.053 6.248) 6.269 3.311 ( 0.320 -2.335 -1.726) 2.921 3.311 ( -0.320 -2.335 1.726) 2.921 3.474 ( -2.261 -2.889 -1.262) 3.880 3.474 ( 2.261 -2.889 1.262) 3.880 3.754 ( 0.066 -9.282 -2.200) 9.539 3.754 ( -0.066 -9.282 2.200) 9.539 4.022 ( -6.375 -4.136 -1.625) 7.772 4.022 ( 6.375 -4.136 1.625) 7.772 4.108 ( -1.023 -0.248 -0.456) 1.147 4.108 ( 1.023 -0.248 0.456) 1.147 4.266 ( -4.677 -1.846 -3.606) 6.187 4.266 ( 4.677 -1.846 3.606) 6.187 4.520 ( -1.800 -0.593 -5.385) 5.709 4.520 ( 1.800 -0.593 5.385) 5.709 4.672 ( -2.679 -0.794 -1.362) 3.108 4.672 ( 2.679 -0.794 1.362) 3.108 4.766 ( -1.104 -3.489 -0.626) 3.713 4.766 ( 1.104 -3.489 0.626) 3.713 5.018 ( 0.097 -1.519 -2.946) 3.316 5.018 ( -0.097 -1.519 2.946) 3.316 5.084 ( -0.336 -2.516 -1.632) 3.018 5.084 ( 0.336 -2.516 1.632) 3.018 5.193 ( -2.142 2.474 -5.712) 6.583 5.193 ( 2.142 2.474 5.712) 6.583 5.306 ( -3.110 0.197 -5.687) 6.485 5.306 ( 3.110 0.197 5.687) 6.485 5.439 ( 0.506 -2.612 -1.157) 2.901 5.439 ( -0.506 -2.612 1.157) 2.901 5.576 ( -4.152 -6.952 -5.818) 9.971 5.576 ( 4.152 -6.952 5.818) 9.971 5.643 ( -0.095 0.379 -0.629) 0.741 5.643 ( 0.095 0.379 0.629) 0.741 5.819 ( -0.006 -6.609 -1.012) 6.686 5.819 ( 0.006 -6.609 1.012) 6.686 5.927 ( -0.613 8.541 -6.275) 10.616 5.927 ( 0.613 8.541 6.275) 10.616 5.975 ( 2.138 -3.552 -3.700) 5.557 5.975 ( -2.138 -3.552 3.700) 5.557 6.200 ( -3.116 3.350 0.389) 4.592 6.200 ( 3.116 3.350 -0.389) 4.592 6.259 ( -1.302 -2.128 -2.079) 3.247 6.259 ( 1.302 -2.128 2.079) 3.247 6.358 ( 2.372 3.257 -2.790) 4.901 6.358 ( -2.372 3.257 2.790) 4.901 6.603 ( -0.428 -0.800 -1.507) 1.760 6.603 ( 0.428 -0.800 1.507) 1.760 6.733 ( -0.919 -2.639 -2.669) 3.864 6.733 ( 0.919 -2.639 2.669) 3.864 6.974 ( 1.972 -1.819 -3.146) 4.135 6.974 ( -1.972 -1.819 3.146) 4.135 7.072 ( -2.932 3.535 -1.186) 4.744 7.072 ( 2.932 3.535 1.186) 4.744 7.172 ( 1.391 -4.806 -4.827) 6.952 7.172 ( -1.391 -4.806 4.827) 6.952 7.322 ( -3.077 -3.771 -2.279) 5.374 7.322 ( 3.077 -3.771 2.279) 5.374 7.588 ( -0.814 -1.167 -2.346) 2.743 7.588 ( 0.814 -1.167 2.346) 2.743 7.676 ( -1.505 -6.858 -2.117) 7.333 7.676 ( 1.505 -6.858 2.117) 7.333 7.901 ( -0.906 -5.904 -2.308) 6.404 7.901 ( 0.906 -5.904 2.308) 6.404 8.111 ( -0.830 -2.502 -1.210) 2.900 8.111 ( 0.830 -2.502 1.210) 2.900 8.226 ( -2.146 -5.822 -0.889) 6.268 8.226 ( 2.146 -5.822 0.889) 6.268 8.307 ( -0.140 0.677 -2.724) 2.810 8.307 ( 0.140 0.677 2.724) 2.810 8.461 ( 1.633 -0.228 -2.597) 3.076 8.461 ( -1.633 -0.228 2.597) 3.076 8.697 ( 1.355 5.317 -3.113) 6.308 8.697 ( -1.355 5.317 3.113) 6.308 8.789 ( -0.459 6.776 -0.628) 6.821 8.789 ( 0.459 6.776 0.628) 6.821 9.482 ( -1.058 3.594 -0.638) 3.800 9.482 ( 1.058 3.594 0.638) 3.800 9.583 ( 1.642 -0.499 -2.303) 2.872 9.583 ( -1.642 -0.499 2.303) 2.872 9.683 ( -1.743 -1.807 -1.828) 3.106 9.683 ( 1.743 -1.807 1.828) 3.106 9.880 ( 1.457 -1.418 -1.727) 2.667 9.880 ( -1.457 -1.418 1.727) 2.667 10.126 ( -0.710 17.125 -4.699) 17.772 10.126 ( 0.710 17.125 4.699) 17.772 10.324 ( 0.375 19.321 -2.947) 19.548 10.324 ( -0.375 19.321 2.947) 19.548 10.556 ( 1.196 -21.522 -1.536) 21.610 10.556 ( -1.196 -21.522 1.536) 21.610 10.874 ( 2.786 -4.051 -7.798) 9.219 10.874 ( -2.786 -4.051 7.798) 9.219 11.013 ( -3.191 1.860 -3.151) 4.855 11.013 ( 3.191 1.860 3.151) 4.855 11.114 ( -1.617 1.795 0.038) 2.416 11.114 ( 1.617 1.795 -0.038) 2.416 11.270 ( -1.641 1.607 -1.455) 2.719 11.270 ( 1.641 1.607 1.455) 2.719 11.633 ( -3.651 23.045 -16.110) 28.353 11.633 ( 3.651 23.045 16.110) 28.353 12.004 ( -1.701 6.399 -2.720) 7.159 12.004 ( 1.701 6.399 2.720) 7.159 12.171 ( 0.197 8.966 -1.227) 9.052 12.171 ( -0.197 8.966 1.227) 9.052 14.050 ( -1.016 4.973 -0.674) 5.120 14.050 ( 1.016 4.973 0.674) 5.120 14.163 ( -1.787 9.640 -0.964) 9.851 14.163 ( 1.787 9.640 0.964) 9.851 14.690 ( -0.709 0.419 -0.758) 1.119 14.690 ( 0.709 0.419 0.758) 1.119 14.753 ( -1.349 3.977 -1.058) 4.331 14.753 ( 1.349 3.977 1.058) 4.331 14.933 ( -1.088 4.821 -1.128) 5.070 14.933 ( 1.088 4.821 1.128) 5.070 15.001 ( -0.225 7.802 -2.625) 8.235 15.001 ( 0.225 7.802 2.625) 8.235 15.435 ( -4.270 3.864 -4.829) 7.515 15.435 ( 4.270 3.864 4.829) 7.515 15.652 ( -9.663 3.810 0.274) 10.390 15.652 ( 9.663 3.810 -0.274) 10.390 16.699 ( -14.273 -4.414 -6.397) 16.252 16.699 ( 14.273 -4.414 6.397) 16.252 17.203 ( -1.249 3.156 -5.242) 6.245 17.203 ( 1.249 3.156 5.242) 6.245 17.613 ( -7.081 -3.753 -1.634) 8.180 17.613 ( 7.081 -3.753 1.634) 8.180 17.833 ( -12.603 -0.966 -2.773) 12.941 17.833 ( 12.603 -0.966 2.773) 12.941 18.081 ( -1.895 2.856 -1.294) 3.663 18.081 ( 1.895 2.856 1.294) 3.663 18.181 ( -4.335 3.731 -3.014) 6.465 18.181 ( 4.335 3.731 3.014) 6.465 18.664 ( -0.720 0.985 -0.882) 1.506 18.664 ( 0.720 0.985 0.882) 1.506 18.732 ( -1.034 0.318 -0.752) 1.318 18.732 ( 1.034 0.318 0.752) 1.318 21.715 ( -1.378 -0.096 -0.556) 1.489 21.715 ( 1.378 -0.096 0.556) 1.489 21.873 ( -10.847 -1.296 -1.294) 11.001 21.873 ( 10.847 -1.296 1.294) 11.001 22.301 ( -0.920 -1.992 -2.063) 3.012 22.301 ( 0.920 -1.992 2.063) 3.012 22.525 ( -5.223 -3.384 -1.139) 6.327 22.525 ( 5.223 -3.384 1.139) 6.327 22.755 ( -4.765 -5.175 -1.548) 7.203 22.755 ( 4.765 -5.175 1.548) 7.203 22.984 ( -1.726 0.621 -3.288) 3.765 22.984 ( 1.726 0.621 3.288) 3.765 23.266 ( -0.560 -2.444 -2.425) 3.489 23.266 ( 0.560 -2.444 2.425) 3.489 23.402 ( 0.225 -6.781 -3.916) 7.834 23.402 ( -0.225 -6.781 3.916) 7.834 ======================= Grid point 118 (53/66) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 5.078 11.523 -2.483) 12.835 1.054 ( 1.805 12.436 -8.112) 14.957 1.148 ( 15.140 0.538 -20.908) 25.819 1.402 ( -0.735 20.131 14.446) 24.789 1.627 ( -6.640 6.926 2.396) 9.889 1.745 ( -7.752 -1.376 5.520) 9.615 1.862 ( 2.300 21.663 -2.651) 21.945 1.985 ( 1.177 13.960 8.758) 16.522 2.054 ( 4.238 19.937 3.319) 20.651 2.087 ( -3.544 22.406 -3.451) 22.946 2.285 ( -5.446 14.553 5.158) 16.372 2.450 ( -1.704 -1.320 -4.225) 4.743 2.522 ( 10.392 7.865 -4.597) 13.820 2.600 ( -6.988 1.157 -8.003) 10.687 2.642 ( 2.456 4.216 0.128) 4.880 2.758 ( -4.216 2.875 5.122) 7.231 3.092 ( -4.124 -2.390 3.878) 6.144 3.170 ( -0.722 1.296 1.067) 1.828 3.268 ( -2.638 -2.068 -2.706) 4.308 3.289 ( -1.964 -0.234 0.314) 2.003 3.475 ( 1.630 -0.944 1.565) 2.448 3.529 ( 1.641 -3.887 0.528) 4.252 3.673 ( -3.152 -6.044 2.648) 7.313 3.794 ( -1.922 -5.921 -0.905) 6.291 3.920 ( -1.499 -6.266 -0.312) 6.451 4.037 ( -3.151 -1.157 2.058) 3.937 4.055 ( -3.446 -0.313 -0.905) 3.577 4.170 ( 4.965 -4.198 -0.971) 6.574 4.251 ( 2.703 -3.218 -0.536) 4.236 4.372 ( 2.930 -3.224 2.011) 4.798 4.490 ( -0.166 -0.939 -2.368) 2.553 4.592 ( -0.660 -3.160 1.293) 3.477 4.626 ( 0.498 -0.987 3.137) 3.326 4.696 ( 0.058 -5.320 -3.449) 6.340 4.735 ( -0.198 -1.306 1.583) 2.062 4.810 ( 2.837 -2.515 -2.731) 4.673 4.982 ( -1.769 -2.086 3.879) 4.746 5.018 ( -1.588 -2.292 -1.209) 3.039 5.069 ( 1.937 -0.942 -0.032) 2.155 5.128 ( 0.133 1.630 3.731) 4.073 5.206 ( 6.894 0.183 -0.446) 6.911 5.243 ( 0.181 2.644 -2.907) 3.934 5.262 ( 0.478 1.735 -2.720) 3.262 5.329 ( -1.168 -3.613 -1.213) 3.986 5.405 ( -0.579 -3.320 2.340) 4.103 5.452 ( -0.354 -2.875 1.461) 3.245 5.510 ( 0.045 -4.338 -6.319) 7.665 5.607 ( -2.458 -1.106 1.983) 3.346 5.640 ( -0.806 -0.768 -0.278) 1.147 5.725 ( 4.444 -2.474 0.244) 5.092 5.800 ( 0.919 -0.394 -0.306) 1.046 5.863 ( -1.961 -7.863 0.370) 8.112 5.873 ( 0.385 2.246 -2.225) 3.185 5.923 ( -0.457 -2.292 1.470) 2.761 5.964 ( -0.574 4.714 2.072) 5.181 6.017 ( 1.823 -1.591 1.452) 2.822 6.154 ( -1.465 3.628 1.513) 4.195 6.226 ( 0.061 3.053 1.251) 3.299 6.279 ( 3.143 -3.246 -2.394) 5.113 6.321 ( 0.479 2.425 4.725) 5.333 6.349 ( 3.332 0.457 -2.271) 4.058 6.420 ( 5.227 -0.906 -1.742) 5.583 6.594 ( -0.974 0.510 -1.081) 1.542 6.602 ( 1.419 -0.351 0.271) 1.487 6.630 ( -4.087 -4.863 -2.241) 6.736 6.754 ( -2.987 0.553 -3.059) 4.311 6.983 ( 0.730 -4.486 -3.212) 5.565 7.002 ( -0.770 2.084 2.048) 3.022 7.013 ( -0.599 -0.987 2.834) 3.060 7.066 ( -2.906 -2.108 2.012) 4.115 7.153 ( 1.201 -0.535 -1.317) 1.861 7.195 ( -0.499 0.764 3.824) 3.931 7.287 ( -0.268 -0.766 -3.214) 3.315 7.409 ( 4.599 -5.226 -1.116) 7.050 7.524 ( -5.360 -2.014 -1.177) 5.845 7.595 ( -1.204 -2.899 2.249) 3.862 7.668 ( 3.366 -6.535 0.049) 7.351 7.762 ( 4.338 -7.365 0.162) 8.550 7.865 ( -0.723 -4.554 -2.407) 5.201 7.911 ( -0.730 -4.301 1.501) 4.613 8.084 ( -0.960 -3.104 -0.292) 3.262 8.125 ( -0.661 -2.383 0.832) 2.609 8.171 ( -2.767 -2.877 -0.605) 4.037 8.247 ( -0.091 -2.014 -1.020) 2.259 8.294 ( 0.524 -3.873 0.128) 3.910 8.339 ( 0.957 0.140 1.291) 1.614 8.421 ( -2.754 -2.402 1.952) 4.143 8.456 ( -1.181 -0.514 -2.202) 2.551 8.697 ( 0.451 4.671 1.304) 4.871 8.734 ( 3.037 6.474 -1.833) 7.382 8.760 ( -1.588 5.723 0.313) 5.948 8.811 ( 0.650 7.697 0.184) 7.726 9.462 ( -0.517 2.734 -0.833) 2.904 9.496 ( -0.499 5.127 0.899) 5.229 9.559 ( -0.498 -1.209 2.067) 2.446 9.618 ( 1.285 0.746 -1.493) 2.107 9.652 ( 0.400 -3.292 -1.577) 3.672 9.740 ( 2.516 -2.323 -0.970) 3.559 9.837 ( -1.585 -0.645 2.976) 3.433 9.927 ( 2.103 -1.130 -1.375) 2.755 10.092 ( -0.880 18.073 -0.729) 18.110 10.161 ( 0.815 16.670 3.651) 17.085 10.277 ( -1.864 20.912 -1.979) 21.088 10.353 ( 0.915 21.514 -4.030) 21.907 10.548 ( -0.163 -20.052 -0.075) 20.053 10.589 ( 3.220 -21.135 -2.575) 21.534 10.773 ( -9.840 -1.691 -4.417) 10.918 10.831 ( -4.860 -8.646 6.540) 11.881 10.990 ( 2.187 -0.261 -1.434) 2.628 11.060 ( -1.003 4.121 2.487) 4.917 11.107 ( 2.120 2.170 1.018) 3.200 11.149 ( 2.823 1.612 1.471) 3.568 11.251 ( 1.101 5.523 -0.833) 5.693 11.298 ( 0.249 1.147 0.016) 1.173 11.474 ( -5.982 16.933 -4.915) 18.619 11.683 ( -6.952 17.584 12.174) 22.489 11.983 ( 0.716 7.453 -1.573) 7.650 12.055 ( 2.149 6.584 2.115) 7.242 12.130 ( -2.608 8.551 1.015) 8.997 12.188 ( 0.219 8.570 -1.117) 8.645 14.031 ( -0.589 5.468 -0.608) 5.533 14.059 ( -0.851 5.877 0.230) 5.943 14.132 ( -0.048 8.229 0.532) 8.246 14.195 ( 0.538 8.502 0.152) 8.520 14.660 ( -1.380 0.286 0.183) 1.421 14.690 ( -1.596 1.892 -1.126) 2.719 14.748 ( 1.729 1.943 -0.935) 2.763 14.780 ( 0.826 5.324 1.562) 5.609 14.912 ( -0.099 6.815 -1.705) 7.025 14.961 ( 1.824 1.401 -0.323) 2.323 15.009 ( 1.351 1.105 0.628) 1.855 15.017 ( -0.617 13.263 1.699) 13.386 15.338 ( -3.763 3.230 -3.059) 5.827 15.449 ( -7.081 4.098 1.774) 8.372 15.571 ( 3.318 4.747 6.367) 8.607 15.816 ( 4.177 4.558 2.906) 6.831 16.427 ( -6.943 -1.913 -5.995) 9.370 16.896 ( -2.355 0.693 -3.531) 4.300 17.092 ( 2.503 -5.263 0.591) 5.858 17.299 ( 3.920 3.139 -3.881) 6.347 17.450 ( -10.389 -2.379 4.216) 11.462 17.584 ( -9.017 -0.736 0.195) 9.049 17.793 ( 9.037 -4.124 4.979) 11.112 17.968 ( 2.549 2.170 1.026) 3.501 18.046 ( -1.145 2.620 -1.383) 3.176 18.113 ( 0.978 3.095 -0.091) 3.247 18.140 ( -0.485 3.547 -0.253) 3.589 18.305 ( 2.470 -1.805 5.342) 6.156 18.631 ( -2.279 0.314 -0.178) 2.307 18.668 ( -0.765 0.534 0.155) 0.945 18.716 ( 0.133 0.011 0.186) 0.229 18.755 ( 0.594 1.489 0.572) 1.702 21.634 ( -3.523 0.691 -2.078) 4.148 21.709 ( -1.275 0.696 -0.770) 1.644 21.795 ( 2.316 -0.492 -2.226) 3.250 22.071 ( 7.261 -2.187 -5.486) 9.360 22.193 ( -6.869 0.001 2.137) 7.194 22.314 ( -1.709 0.498 1.038) 2.060 22.473 ( 2.212 -7.578 2.669) 8.333 22.638 ( 3.596 -5.896 0.816) 6.954 22.697 ( -0.889 -6.144 0.080) 6.208 22.872 ( 3.647 -5.793 1.022) 6.921 22.946 ( 0.944 1.927 -3.046) 3.726 23.040 ( 2.593 1.557 1.736) 3.488 23.236 ( -0.861 -4.121 -1.544) 4.485 23.294 ( 0.970 -1.585 0.923) 2.075 23.368 ( -1.402 -4.507 0.238) 4.726 23.417 ( -0.420 -6.406 -0.779) 6.467 ======================= Grid point 119 (54/66) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 11.310 7.234 -11.445) 17.642 1.213 ( 7.495 9.630 4.652) 13.060 1.286 ( -6.195 5.891 3.046) 9.075 1.438 ( 11.542 -1.208 -10.823) 15.869 1.551 ( -6.384 3.429 -1.013) 7.317 1.652 ( 6.329 29.412 9.566) 31.569 1.779 ( -11.925 14.861 1.958) 19.154 1.887 ( -14.571 18.387 2.655) 23.611 2.030 ( 2.890 8.659 0.154) 9.130 2.107 ( -4.151 8.120 -0.715) 9.148 2.297 ( 8.317 17.470 -3.631) 19.686 2.427 ( -5.459 11.912 -0.513) 13.114 2.545 ( 6.424 7.083 2.385) 9.855 2.643 ( -0.545 3.790 -0.783) 3.908 2.678 ( 4.054 3.536 -3.821) 6.598 2.720 ( -2.535 2.877 4.498) 5.911 3.059 ( -0.132 -0.107 4.949) 4.952 3.120 ( -3.728 1.350 -1.847) 4.374 3.227 ( 0.279 0.207 -4.247) 4.261 3.245 ( -2.667 1.336 1.178) 3.207 3.511 ( 0.820 -1.313 3.569) 3.891 3.536 ( -0.282 -2.215 -1.801) 2.869 3.671 ( 1.235 -4.429 2.127) 5.066 3.725 ( -3.516 -4.200 -1.224) 5.612 3.907 ( 0.153 -2.333 1.628) 2.849 3.954 ( -3.716 -0.613 -1.819) 4.182 4.106 ( 5.887 -8.094 -0.922) 10.051 4.196 ( -2.892 -6.661 1.795) 7.480 4.308 ( 3.092 -4.159 1.922) 5.527 4.378 ( -1.965 -2.184 -1.674) 3.381 4.521 ( 2.927 -5.724 -1.588) 6.622 4.545 ( 0.952 -0.107 1.566) 1.836 4.591 ( -3.463 -2.759 -3.065) 5.385 4.651 ( -5.433 -0.476 -0.368) 5.467 4.792 ( 3.996 -5.182 2.456) 6.989 4.839 ( -0.386 -4.629 -0.021) 4.645 5.016 ( 1.894 0.811 0.653) 2.161 5.035 ( 4.582 -4.320 6.284) 8.896 5.081 ( -1.628 -0.023 -5.040) 5.296 5.158 ( -3.540 -2.359 -4.261) 6.021 5.180 ( 2.232 1.284 6.232) 6.742 5.261 ( -0.425 -0.880 -4.492) 4.597 5.334 ( 6.046 2.722 1.218) 6.741 5.378 ( 3.501 -1.344 -2.300) 4.399 5.425 ( -1.958 -2.015 5.527) 6.200 5.438 ( -0.918 -3.918 -2.209) 4.590 5.480 ( 3.570 -3.217 -4.458) 6.555 5.552 ( -3.450 -1.282 -0.333) 3.695 5.624 ( 0.416 3.725 -2.582) 4.551 5.731 ( -9.391 -0.404 4.380) 10.370 5.756 ( 3.283 3.312 -2.296) 5.198 5.844 ( -4.914 0.135 3.066) 5.794 5.867 ( 2.773 -3.320 1.655) 4.631 5.912 ( -1.201 -3.146 -0.293) 3.380 6.010 ( 3.930 1.099 -1.032) 4.209 6.076 ( -1.680 0.941 0.707) 2.051 6.125 ( 3.359 -1.408 1.614) 3.984 6.216 ( -2.781 0.554 -1.202) 3.080 6.327 ( 2.837 -6.158 -0.060) 6.780 6.356 ( 0.672 -0.688 0.540) 1.103 6.428 ( 4.747 2.612 -0.423) 5.434 6.486 ( 0.625 -0.947 0.199) 1.152 6.551 ( -0.051 -3.538 -2.073) 4.101 6.597 ( 1.468 1.158 2.249) 2.925 6.652 ( -2.909 -3.334 -3.814) 5.841 6.700 ( 2.403 -2.521 -0.116) 3.485 6.879 ( -3.097 -1.138 -2.066) 3.893 6.948 ( -5.579 0.701 1.992) 5.965 7.063 ( 2.793 1.043 0.052) 2.982 7.092 ( 0.010 -2.654 3.159) 4.125 7.159 ( 1.164 5.640 -1.224) 5.887 7.197 ( -1.295 3.421 -2.614) 4.496 7.291 ( 3.073 -1.967 4.358) 5.684 7.405 ( -6.262 -4.971 -1.369) 8.111 7.481 ( 4.007 -5.318 -3.215) 7.394 7.542 ( -3.892 -5.813 1.667) 7.192 7.777 ( 5.026 -5.581 1.308) 7.623 7.805 ( 0.620 -2.055 1.050) 2.390 7.860 ( 0.910 -4.091 -2.989) 5.148 7.894 ( -2.113 -3.230 1.043) 3.999 8.077 ( 0.466 -3.024 -1.238) 3.301 8.097 ( -2.085 -2.338 0.937) 3.269 8.156 ( 1.766 -2.174 2.493) 3.750 8.221 ( -2.154 -1.831 -2.690) 3.902 8.311 ( 1.271 -4.602 -0.095) 4.775 8.341 ( -1.657 -2.474 1.114) 3.179 8.396 ( -0.205 -2.782 1.998) 3.431 8.419 ( -1.226 -1.597 -2.473) 3.189 8.715 ( 0.891 4.381 0.680) 4.522 8.735 ( -1.109 4.688 -0.177) 4.821 8.782 ( 2.491 7.729 -1.029) 8.186 8.811 ( -0.866 8.152 0.536) 8.215 9.458 ( 0.666 2.813 -1.178) 3.122 9.475 ( -1.651 3.837 1.401) 4.406 9.579 ( 1.111 0.107 1.868) 2.176 9.607 ( -0.821 0.781 -1.966) 2.269 9.686 ( 2.620 -3.907 -0.466) 4.727 9.732 ( -1.934 -3.916 -1.124) 4.509 9.874 ( 2.952 1.621 2.835) 4.402 9.929 ( -1.351 0.651 -1.441) 2.080 10.109 ( 2.088 19.115 3.916) 19.623 10.173 ( -0.851 18.321 -4.395) 18.860 10.251 ( 0.355 23.214 2.238) 23.325 10.310 ( -2.842 24.572 -5.188) 25.274 10.548 ( 0.795 -18.344 -1.652) 18.435 10.584 ( -4.694 -13.898 2.393) 14.864 10.677 ( 4.444 -15.890 -3.921) 16.959 10.758 ( -5.771 -12.550 5.722) 14.951 11.021 ( 1.761 -0.720 -2.412) 3.073 11.044 ( -1.762 2.333 2.346) 3.749 11.172 ( 4.838 6.830 0.335) 8.377 11.245 ( 3.071 1.400 4.639) 5.737 11.257 ( -1.587 6.536 -0.475) 6.743 11.302 ( 0.751 4.920 -1.421) 5.175 11.390 ( 0.913 9.310 -1.696) 9.507 11.527 ( -10.838 10.930 2.123) 15.539 12.010 ( 2.355 8.372 -0.445) 8.708 12.059 ( -2.468 8.631 -0.251) 8.980 12.128 ( 1.643 6.995 3.088) 7.821 12.170 ( -1.254 7.779 -2.097) 8.153 14.025 ( 0.212 5.991 -0.428) 6.010 14.036 ( -1.161 6.526 0.282) 6.635 14.156 ( 1.613 6.751 0.901) 7.000 14.187 ( -1.063 7.338 -0.713) 7.449 14.645 ( -0.348 0.694 1.017) 1.279 14.657 ( -0.954 1.418 -1.496) 2.272 14.778 ( 1.787 2.695 -1.724) 3.664 14.793 ( -0.538 5.106 2.071) 5.536 14.925 ( 1.946 7.431 0.234) 7.685 14.975 ( -2.186 10.205 -1.014) 10.485 15.005 ( 1.733 0.786 -0.885) 2.098 15.029 ( -0.444 -0.855 1.386) 1.688 15.289 ( 0.026 4.453 -0.416) 4.472 15.337 ( -4.685 5.173 0.067) 6.980 15.682 ( 4.815 4.715 5.773) 8.874 15.794 ( -4.519 4.767 -3.153) 7.287 16.457 ( 8.414 -0.185 4.425) 9.508 16.687 ( -11.846 1.819 -7.198) 13.980 17.202 ( 5.298 -4.206 -2.429) 7.187 17.291 ( -6.800 -1.188 3.758) 7.860 17.371 ( 5.293 0.028 -1.773) 5.582 17.472 ( -5.516 -2.985 1.679) 6.493 17.968 ( 4.478 -2.470 5.273) 7.346 18.013 ( 0.353 1.345 1.140) 1.798 18.026 ( 3.501 1.765 -1.278) 4.124 18.110 ( -1.310 1.193 -1.405) 2.261 18.152 ( 1.905 4.075 0.901) 4.587 18.253 ( -6.916 -0.482 -1.882) 7.184 18.616 ( 0.587 -0.970 1.063) 1.554 18.643 ( -1.403 -1.005 -1.066) 2.028 18.733 ( 1.066 1.132 0.896) 1.795 18.754 ( -0.659 1.589 -0.374) 1.761 21.625 ( 1.755 0.975 1.190) 2.334 21.673 ( -1.942 0.720 -2.043) 2.909 21.863 ( 5.442 -0.610 -1.062) 5.578 21.988 ( -7.861 -1.115 -0.147) 7.941 22.220 ( 4.466 0.810 -2.667) 5.265 22.277 ( -2.897 0.764 2.076) 3.645 22.556 ( 3.955 -8.083 2.991) 9.482 22.629 ( -2.252 -7.494 -2.780) 8.304 22.752 ( 3.754 -6.247 4.023) 8.324 22.839 ( -3.310 -5.450 -3.623) 7.334 23.017 ( 3.834 -0.010 1.304) 4.050 23.068 ( -0.642 0.494 -0.617) 1.019 23.244 ( 2.380 -2.980 -0.211) 3.819 23.293 ( -1.762 -1.408 -0.041) 2.255 23.362 ( 0.099 -3.189 2.697) 4.178 23.388 ( -1.201 -4.389 -2.894) 5.392 ======================= Grid point 122 (55/66) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 1.380 18.568 -2.874) 18.839 1.254 ( -1.380 18.568 2.874) 18.839 1.464 ( -7.899 12.716 -15.501) 21.549 1.464 ( 7.899 12.716 15.501) 21.549 1.750 ( -3.155 1.181 -2.741) 4.343 1.750 ( 3.155 1.181 2.741) 4.343 2.278 ( -4.038 12.446 -0.668) 13.102 2.278 ( 4.038 12.446 0.668) 13.102 2.467 ( 0.541 15.039 -4.596) 15.735 2.467 ( -0.541 15.039 4.596) 15.735 2.593 ( -5.939 13.726 -0.566) 14.966 2.593 ( 5.939 13.726 0.566) 14.966 2.746 ( -1.671 3.164 -6.866) 7.742 2.746 ( 1.671 3.164 6.866) 7.742 2.842 ( 5.240 20.915 -4.444) 22.014 2.842 ( -5.240 20.915 4.444) 22.014 3.115 ( 2.559 -2.794 -6.651) 7.655 3.115 ( -2.559 -2.794 6.651) 7.655 3.289 ( 0.497 1.607 -3.489) 3.873 3.289 ( -0.497 1.607 3.489) 3.873 3.427 ( -0.111 -1.720 -1.661) 2.394 3.427 ( 0.111 -1.720 1.661) 2.394 3.619 ( -2.653 -4.720 -0.969) 5.501 3.619 ( 2.653 -4.720 0.969) 5.501 3.937 ( -7.223 -4.294 -1.193) 8.487 3.937 ( 7.223 -4.294 1.193) 8.487 4.087 ( 1.402 -2.005 -4.675) 5.276 4.087 ( -1.402 -2.005 4.675) 5.276 4.236 ( -3.898 0.456 -3.103) 5.003 4.236 ( 3.898 0.456 3.103) 5.003 4.506 ( -0.412 -0.539 -6.352) 6.388 4.506 ( 0.412 -0.539 6.352) 6.388 4.603 ( -2.841 -5.664 -3.698) 7.337 4.603 ( 2.841 -5.664 3.698) 7.337 4.741 ( 0.407 1.093 -1.879) 2.211 4.741 ( -0.407 1.093 1.879) 2.211 4.966 ( 1.673 -2.484 -5.630) 6.377 4.966 ( -1.673 -2.484 5.630) 6.377 5.029 ( -2.851 -2.519 -3.596) 5.235 5.029 ( 2.851 -2.519 3.596) 5.235 5.192 ( -0.128 -3.732 -3.782) 5.315 5.192 ( 0.128 -3.732 3.782) 5.315 5.326 ( 4.598 0.300 -5.702) 7.331 5.326 ( -4.598 0.300 5.702) 7.331 5.394 ( 1.363 -4.665 -3.297) 5.873 5.394 ( -1.363 -4.665 3.297) 5.873 5.426 ( 1.287 -5.028 -3.698) 6.372 5.426 ( -1.287 -5.028 3.698) 6.372 5.641 ( 0.861 -7.900 -2.244) 8.258 5.641 ( -0.861 -7.900 2.244) 8.258 5.693 ( -2.880 1.577 -0.800) 3.380 5.693 ( 2.880 1.577 0.800) 3.380 5.894 ( 0.213 -2.761 -3.303) 4.310 5.894 ( -0.213 -2.761 3.303) 4.310 6.058 ( -3.100 1.559 -5.682) 6.658 6.058 ( 3.100 1.559 5.682) 6.658 6.207 ( -0.220 4.310 -3.316) 5.443 6.207 ( 0.220 4.310 3.316) 5.443 6.329 ( -1.383 3.251 -1.200) 3.731 6.329 ( 1.383 3.251 1.200) 3.731 6.432 ( -1.375 4.890 -0.617) 5.117 6.432 ( 1.375 4.890 0.617) 5.117 6.586 ( 2.135 -0.730 -1.149) 2.532 6.586 ( -2.135 -0.730 1.149) 2.532 6.703 ( -6.062 0.069 -7.328) 9.511 6.703 ( 6.062 0.069 7.328) 9.511 6.962 ( -1.468 0.610 -2.467) 2.935 6.962 ( 1.468 0.610 2.467) 2.935 7.102 ( 1.516 -2.002 -2.807) 3.766 7.102 ( -1.516 -2.002 2.807) 3.766 7.167 ( -5.559 3.073 -3.397) 7.203 7.167 ( 5.559 3.073 3.397) 7.203 7.249 ( -0.904 -2.537 -1.513) 3.089 7.249 ( 0.904 -2.537 1.513) 3.089 7.519 ( 1.111 -6.039 -2.016) 6.463 7.519 ( -1.111 -6.039 2.016) 6.463 7.550 ( 0.046 -5.677 -3.576) 6.709 7.550 ( -0.046 -5.677 3.576) 6.709 7.813 ( -0.434 -3.059 -2.358) 3.886 7.813 ( 0.434 -3.059 2.358) 3.886 8.056 ( -1.799 -3.402 -1.882) 4.284 8.056 ( 1.799 -3.402 1.882) 4.284 8.110 ( -1.608 -4.666 0.010) 4.935 8.110 ( 1.608 -4.666 -0.010) 4.935 8.335 ( 0.942 1.621 -5.032) 5.370 8.335 ( -0.942 1.621 5.032) 5.370 8.486 ( 2.338 2.050 -2.685) 4.108 8.486 ( -2.338 2.050 2.685) 4.108 8.791 ( 0.023 3.810 -2.720) 4.681 8.791 ( -0.023 3.810 2.720) 4.681 8.886 ( -1.620 2.435 -0.092) 2.926 8.886 ( 1.620 2.435 0.092) 2.926 9.416 ( -0.634 -7.759 -1.557) 7.939 9.416 ( 0.634 -7.759 1.557) 7.939 9.501 ( -1.231 -7.936 -0.274) 8.036 9.501 ( 1.231 -7.936 0.274) 8.036 9.658 ( -2.363 -2.259 -1.182) 3.476 9.658 ( 2.363 -2.259 1.182) 3.476 9.830 ( 3.111 -3.586 -2.595) 5.410 9.830 ( -3.111 -3.586 2.595) 5.410 10.073 ( 0.999 -17.168 -3.318) 17.515 10.073 ( -0.999 -17.168 3.318) 17.515 10.195 ( 1.194 -17.460 -2.488) 17.677 10.195 ( -1.194 -17.460 2.488) 17.677 10.668 ( -4.703 19.247 -5.105) 20.460 10.668 ( 4.703 19.247 5.105) 20.460 10.973 ( 1.665 8.306 -3.923) 9.335 10.973 ( -1.665 8.306 3.923) 9.335 11.100 ( -3.070 3.523 -3.117) 5.617 11.100 ( 3.070 3.523 3.117) 5.617 11.145 ( -1.223 7.151 -1.797) 7.474 11.145 ( 1.223 7.151 1.797) 7.474 11.294 ( 0.333 1.359 -1.213) 1.851 11.294 ( -0.333 1.359 1.213) 1.851 12.036 ( 2.257 15.045 -23.497) 27.992 12.036 ( -2.257 15.045 23.497) 27.992 12.137 ( -1.211 7.190 -4.633) 8.639 12.137 ( 1.211 7.190 4.633) 8.639 12.337 ( 0.220 7.141 -1.310) 7.263 12.337 ( -0.220 7.141 1.310) 7.263 14.180 ( -0.362 7.944 -0.954) 8.009 14.180 ( 0.362 7.944 0.954) 8.009 14.346 ( -1.078 8.589 -0.181) 8.658 14.346 ( 1.078 8.589 0.181) 8.658 14.683 ( 0.879 -0.280 -1.498) 1.759 14.683 ( -0.879 -0.280 1.498) 1.759 14.847 ( -1.342 3.241 -2.799) 4.488 14.847 ( 1.342 3.241 2.799) 4.488 15.015 ( -1.347 7.698 -1.170) 7.902 15.015 ( 1.347 7.698 1.170) 7.902 15.248 ( -3.237 12.792 -6.190) 14.575 15.248 ( 3.237 12.792 6.190) 14.575 15.522 ( -4.429 4.875 -3.285) 7.360 15.522 ( 4.429 4.875 3.285) 7.360 15.718 ( -7.329 2.563 -1.000) 7.829 15.718 ( 7.329 2.563 1.000) 7.829 16.619 ( -11.337 -2.953 -8.465) 14.453 16.619 ( 11.337 -2.953 8.465) 14.453 17.284 ( 0.383 4.679 -10.249) 11.273 17.284 ( -0.383 4.679 10.249) 11.273 17.546 ( -5.313 -2.801 -1.373) 6.162 17.546 ( 5.313 -2.801 1.373) 6.162 17.810 ( -11.719 -1.365 -5.436) 12.990 17.810 ( 11.719 -1.365 5.436) 12.990 18.143 ( -1.654 3.544 -2.457) 4.619 18.143 ( 1.654 3.544 2.457) 4.619 18.248 ( -1.992 2.912 -3.366) 4.876 18.248 ( 1.992 2.912 3.366) 4.876 18.670 ( -0.868 -0.552 -1.731) 2.013 18.670 ( 0.868 -0.552 1.731) 2.013 18.728 ( -1.977 -1.104 -0.903) 2.438 18.728 ( 1.977 -1.104 0.903) 2.438 21.714 ( -2.160 0.073 -1.135) 2.441 21.714 ( 2.160 0.073 1.135) 2.441 21.846 ( -6.770 -1.264 -2.568) 7.350 21.846 ( 6.770 -1.264 2.568) 7.350 22.269 ( 0.190 -0.885 -3.014) 3.147 22.269 ( -0.190 -0.885 3.014) 3.147 22.468 ( -5.354 -2.462 -1.886) 6.188 22.468 ( 5.354 -2.462 1.886) 6.188 22.638 ( -5.421 -6.415 -1.303) 8.499 22.638 ( 5.421 -6.415 1.303) 8.499 22.983 ( -1.818 -0.695 -2.817) 3.424 22.983 ( 1.818 -0.695 2.817) 3.424 23.198 ( -2.519 -4.508 -1.428) 5.358 23.198 ( 2.519 -4.508 1.428) 5.358 23.283 ( 0.824 -5.172 -3.930) 6.548 23.283 ( -0.824 -5.172 3.930) 6.548 ======================= Grid point 124 (56/66) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.663 14.579 -16.445) 21.987 1.287 ( 6.400 15.105 -4.641) 17.048 1.384 ( 4.042 19.449 1.570) 19.927 1.591 ( -7.656 5.950 0.054) 9.697 1.721 ( 2.304 3.384 11.608) 12.309 1.781 ( 2.517 5.639 5.602) 8.338 2.229 ( -4.971 10.160 -1.187) 11.373 2.356 ( -2.759 13.489 2.480) 13.990 2.405 ( -9.992 10.484 3.258) 14.845 2.433 ( 6.292 14.635 -0.219) 15.932 2.529 ( -5.080 14.088 -5.505) 15.955 2.607 ( 2.387 13.511 -1.997) 13.865 2.705 ( 4.767 10.853 -3.525) 12.367 2.771 ( -1.405 9.306 3.710) 10.116 2.811 ( 0.742 15.288 -1.413) 15.371 2.899 ( -0.432 14.955 1.443) 15.031 3.045 ( -3.361 -1.980 3.747) 5.409 3.174 ( 1.955 -0.869 -2.429) 3.237 3.263 ( -1.220 2.676 -2.516) 3.870 3.303 ( 0.592 1.543 0.684) 1.789 3.445 ( 2.105 -1.982 -0.740) 2.984 3.466 ( 2.045 -1.581 2.249) 3.426 3.581 ( -0.679 -2.676 -0.505) 2.807 3.678 ( 2.369 -4.805 -0.065) 5.357 3.818 ( -3.554 -3.158 -0.805) 4.822 4.006 ( -5.233 -2.224 3.236) 6.542 4.053 ( 1.120 -1.610 1.885) 2.721 4.066 ( -1.142 -3.482 -2.265) 4.308 4.196 ( 0.827 -2.417 -0.145) 2.559 4.333 ( 4.177 0.424 2.355) 4.814 4.483 ( -2.101 -1.019 -5.288) 5.781 4.533 ( -1.713 -3.456 -3.433) 5.163 4.571 ( 3.612 -3.337 3.115) 5.821 4.609 ( -5.623 -2.463 -0.710) 6.180 4.697 ( 1.967 -1.127 4.947) 5.442 4.770 ( 0.509 -1.063 -3.239) 3.447 4.890 ( -4.045 -4.753 3.541) 7.176 4.980 ( 0.575 -2.348 -2.399) 3.406 5.054 ( 3.296 -0.982 -0.902) 3.556 5.127 ( 2.245 -4.654 -1.987) 5.536 5.146 ( 0.713 -2.787 2.149) 3.591 5.239 ( 3.389 -3.206 -0.034) 4.666 5.273 ( -2.348 -0.705 2.124) 3.244 5.302 ( -3.463 -6.143 0.966) 7.118 5.339 ( 0.861 2.097 -4.136) 4.716 5.399 ( -2.360 -4.906 5.437) 7.694 5.446 ( 1.056 -1.837 -4.082) 4.599 5.546 ( 3.534 -4.878 2.417) 6.491 5.618 ( 2.777 -4.472 2.003) 5.632 5.651 ( 2.229 -2.860 1.456) 3.908 5.719 ( 3.306 -6.068 0.151) 6.912 5.780 ( 1.673 1.530 -2.015) 3.033 5.877 ( -0.207 -5.189 -5.165) 7.325 5.890 ( -0.359 0.208 -2.559) 2.592 5.971 ( -1.812 2.225 0.484) 2.910 6.083 ( -0.797 1.305 3.093) 3.450 6.172 ( -4.076 0.215 0.222) 4.088 6.248 ( 0.922 5.819 1.894) 6.189 6.305 ( -0.005 1.712 -0.745) 1.867 6.354 ( -0.114 2.460 4.309) 4.963 6.423 ( 2.378 4.772 -0.002) 5.332 6.485 ( 1.303 5.492 -1.557) 5.856 6.552 ( -2.719 -2.375 -5.358) 6.461 6.564 ( 0.133 -0.287 -1.656) 1.686 6.630 ( 1.664 1.073 -0.138) 1.984 6.799 ( -3.521 3.452 0.135) 4.933 6.897 ( -1.408 -4.113 -1.335) 4.548 6.980 ( -0.399 -1.186 2.575) 2.863 7.021 ( -3.525 -0.392 2.321) 4.239 7.067 ( -0.795 1.272 2.035) 2.528 7.167 ( 2.908 0.019 -4.826) 5.635 7.248 ( 0.784 1.280 0.401) 1.554 7.283 ( 3.908 0.680 -0.785) 4.043 7.319 ( 4.868 -1.919 1.682) 5.496 7.454 ( -5.780 -6.063 1.984) 8.608 7.476 ( -3.137 -5.937 -2.926) 7.325 7.567 ( 2.754 -3.647 2.270) 5.103 7.650 ( 6.910 -6.549 -0.468) 9.532 7.784 ( -1.280 -2.868 -0.063) 3.141 7.841 ( 0.715 -2.893 1.875) 3.521 8.006 ( -2.130 -4.443 -1.297) 5.095 8.061 ( -1.918 -3.809 -0.203) 4.269 8.103 ( 0.479 -3.563 0.325) 3.609 8.131 ( 0.251 -5.458 0.044) 5.464 8.318 ( 0.116 2.675 -3.120) 4.111 8.347 ( 0.106 0.118 1.809) 1.816 8.425 ( -4.435 2.437 2.852) 5.808 8.485 ( -1.491 2.653 -2.113) 3.705 8.775 ( 0.134 2.978 -0.409) 3.009 8.831 ( 0.330 3.279 -0.967) 3.435 8.852 ( 0.611 2.976 1.312) 3.310 8.921 ( 1.351 2.717 -0.048) 3.035 9.395 ( -0.550 -8.280 -1.288) 8.398 9.425 ( -0.852 -10.261 1.089) 10.353 9.483 ( 0.179 -4.977 0.289) 4.989 9.534 ( 1.245 -8.324 -0.320) 8.423 9.620 ( -0.377 -1.959 -1.456) 2.470 9.697 ( 0.087 -2.648 -0.220) 2.659 9.805 ( 0.314 -3.194 3.969) 5.104 9.882 ( 2.444 -3.624 -1.816) 4.733 10.078 ( 0.244 -17.173 2.327) 17.332 10.085 ( 1.343 -18.317 -1.917) 18.466 10.183 ( -0.975 -17.855 1.908) 17.983 10.202 ( 0.501 -17.309 -2.274) 17.465 10.584 ( -1.697 19.021 -2.426) 19.250 10.779 ( 3.656 18.397 4.948) 19.399 10.903 ( -6.193 8.552 -1.671) 10.690 10.961 ( -3.274 11.868 -1.983) 12.470 11.017 ( -0.460 5.850 -2.460) 6.363 11.105 ( -1.227 -0.356 -0.709) 1.461 11.166 ( 3.247 0.704 1.884) 3.819 11.257 ( 6.808 13.965 3.152) 15.852 11.303 ( 0.626 -0.017 0.123) 0.638 11.345 ( 5.599 6.555 -1.099) 8.690 11.886 ( -6.831 19.886 -15.523) 26.136 11.991 ( -11.709 13.043 12.912) 21.770 12.130 ( 1.139 6.739 0.526) 6.855 12.189 ( 2.028 6.687 3.693) 7.903 12.294 ( -2.880 7.257 0.551) 7.827 12.345 ( -0.355 6.784 -1.061) 6.875 14.173 ( 0.080 8.592 -0.978) 8.648 14.191 ( 0.108 7.491 0.707) 7.525 14.322 ( -0.992 9.888 0.028) 9.937 14.355 ( -0.201 7.755 0.106) 7.759 14.663 ( -1.031 0.347 1.308) 1.701 14.699 ( 0.342 -0.028 -1.456) 1.496 14.815 ( -0.110 3.201 -2.237) 3.906 14.874 ( 0.317 2.561 2.228) 3.409 15.011 ( 0.774 4.641 0.361) 4.719 15.065 ( 2.291 10.703 1.196) 11.011 15.139 ( -3.525 11.363 -3.647) 12.443 15.302 ( -0.954 10.778 1.535) 10.929 15.439 ( -2.670 8.673 -2.038) 9.300 15.529 ( -5.627 3.923 1.368) 6.994 15.661 ( 3.791 3.916 5.211) 7.540 15.888 ( 5.567 2.146 0.712) 6.008 16.399 ( -5.010 -0.081 -4.350) 6.635 16.865 ( 9.538 -2.814 2.562) 10.269 17.096 ( -11.098 4.753 -3.457) 12.558 17.338 ( -0.590 0.695 -2.095) 2.285 17.448 ( -3.842 2.119 2.574) 5.087 17.557 ( -10.531 -1.269 -1.631) 10.732 17.699 ( 8.126 -5.059 3.081) 10.055 17.989 ( 4.858 -1.041 3.099) 5.855 18.087 ( -2.565 2.346 -2.085) 4.053 18.168 ( -1.383 2.695 0.678) 3.104 18.211 ( 0.920 4.203 -0.609) 4.345 18.315 ( 1.555 1.887 2.827) 3.738 18.633 ( -2.408 -0.369 -0.369) 2.464 18.667 ( -2.370 -0.649 -0.864) 2.605 18.708 ( 1.004 -1.128 1.363) 2.034 18.761 ( 0.755 -1.109 0.852) 1.589 21.655 ( -1.991 1.432 -1.770) 3.024 21.728 ( -1.255 1.215 -0.216) 1.760 21.783 ( 1.928 -0.682 -1.538) 2.559 22.000 ( 5.214 -4.764 -1.524) 7.225 22.203 ( -3.013 0.864 0.854) 3.249 22.309 ( 1.611 -1.725 1.365) 2.726 22.363 ( -3.627 -1.416 0.028) 3.894 22.525 ( -1.339 -6.702 -0.984) 6.905 22.583 ( 1.363 -4.834 2.577) 5.645 22.744 ( 2.893 -6.976 -0.311) 7.559 22.962 ( 1.213 -0.136 -1.968) 2.316 23.042 ( 2.704 -1.026 1.746) 3.378 23.144 ( -1.396 -4.998 -1.315) 5.353 23.247 ( 1.800 -3.341 0.366) 3.813 23.281 ( -0.470 -4.562 1.779) 4.919 23.287 ( 0.626 -6.043 -2.038) 6.408 ======================= Grid point 125 (57/66) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 6.974 12.758 -8.026) 16.608 1.397 ( -9.997 8.728 1.633) 13.371 1.465 ( 10.775 12.484 -1.970) 16.608 1.524 ( 9.522 11.686 -0.554) 15.085 1.667 ( -4.491 8.760 0.513) 9.857 1.849 ( -12.666 2.608 3.385) 13.368 2.089 ( 2.905 10.056 5.784) 11.959 2.259 ( -9.156 12.487 -0.007) 15.484 2.342 ( -0.200 18.791 1.718) 18.870 2.372 ( -1.178 17.732 -4.524) 18.338 2.626 ( 4.378 12.757 0.971) 13.522 2.657 ( 2.426 9.808 -1.554) 10.222 2.745 ( 3.118 8.934 -1.456) 9.574 2.792 ( 1.700 11.206 1.971) 11.504 2.816 ( -0.103 9.801 -3.484) 10.402 2.851 ( -4.364 13.124 2.717) 14.095 3.059 ( 2.117 1.018 4.867) 5.404 3.136 ( -3.633 0.848 -2.426) 4.450 3.263 ( 2.229 2.269 -3.110) 4.449 3.298 ( -1.704 2.480 0.807) 3.116 3.478 ( 1.517 -1.406 0.275) 2.086 3.495 ( 0.147 -1.437 0.111) 1.448 3.598 ( 2.384 -1.518 0.053) 2.827 3.657 ( -3.425 -1.591 0.086) 3.778 3.836 ( 4.072 -3.419 0.330) 5.327 3.927 ( -4.650 -1.492 -1.264) 5.044 4.016 ( 1.658 -0.992 0.350) 1.963 4.079 ( -2.592 -4.137 0.739) 4.937 4.237 ( 3.365 -2.907 1.367) 4.652 4.342 ( -6.980 -1.795 -0.827) 7.254 4.429 ( 3.581 -2.997 2.144) 5.138 4.507 ( -2.376 -4.994 -4.397) 7.066 4.556 ( 2.367 2.011 -0.066) 3.106 4.628 ( -1.139 -1.278 -1.467) 2.254 4.696 ( -0.593 -3.814 2.652) 4.683 4.737 ( -2.310 -4.747 -0.039) 5.279 4.942 ( 4.634 -4.453 5.901) 8.725 4.999 ( 2.280 -2.816 0.591) 3.671 5.064 ( -2.117 -6.665 -6.950) 9.859 5.100 ( -2.192 -0.584 -3.431) 4.114 5.151 ( 1.256 -2.983 4.503) 5.546 5.226 ( -3.267 -2.840 -2.082) 4.804 5.306 ( 2.798 -4.761 -2.384) 6.015 5.342 ( -3.256 -4.763 3.162) 6.579 5.354 ( 3.881 -1.243 2.776) 4.931 5.386 ( 3.236 -0.901 1.663) 3.748 5.461 ( 3.631 -0.437 -1.075) 3.811 5.560 ( -3.587 0.359 -0.358) 3.622 5.671 ( 1.823 -3.960 0.570) 4.397 5.702 ( 0.072 0.616 -2.417) 2.496 5.761 ( 1.272 -4.745 1.580) 5.160 5.766 ( -0.310 -3.019 -0.005) 3.035 5.829 ( -0.578 -1.352 -1.853) 2.365 5.872 ( -1.887 -0.954 -0.663) 2.216 6.014 ( 4.196 -0.098 0.615) 4.242 6.093 ( -3.461 0.791 -0.035) 3.550 6.122 ( 3.233 1.734 4.391) 5.722 6.232 ( -4.361 0.441 -3.355) 5.520 6.277 ( 2.245 2.374 -4.027) 5.185 6.346 ( -3.990 0.857 4.341) 5.958 6.472 ( 0.388 0.740 1.185) 1.450 6.496 ( 1.991 2.349 -0.489) 3.117 6.513 ( 1.002 0.386 0.502) 1.185 6.613 ( -0.562 -0.833 -3.498) 3.640 6.645 ( 0.750 2.223 -4.174) 4.788 6.695 ( 0.017 3.524 3.270) 4.807 6.871 ( -0.896 -0.207 0.236) 0.949 6.930 ( -4.998 -2.135 0.283) 5.442 7.055 ( 2.437 -1.631 4.258) 5.170 7.083 ( 0.610 0.213 -0.125) 0.658 7.210 ( 4.878 -0.937 -4.740) 6.866 7.276 ( 2.070 2.578 0.196) 3.312 7.305 ( -3.049 -1.466 1.033) 3.538 7.335 ( -5.426 -0.790 -0.279) 5.490 7.392 ( 2.374 -0.779 0.387) 2.528 7.423 ( -1.376 -3.408 0.034) 3.676 7.659 ( 5.087 -5.970 2.361) 8.191 7.737 ( -0.873 -7.113 -2.385) 7.553 7.785 ( 4.205 -1.481 -0.750) 4.520 7.845 ( -2.073 -2.340 3.151) 4.438 7.984 ( 1.097 -5.523 -1.399) 5.803 8.022 ( -2.385 -4.817 0.631) 5.412 8.093 ( -0.258 -3.173 -1.358) 3.461 8.113 ( -2.282 -6.303 1.293) 6.827 8.322 ( 2.160 2.498 -4.328) 5.445 8.351 ( -1.878 -0.265 2.825) 3.402 8.383 ( -0.113 3.691 3.508) 5.093 8.429 ( -2.649 2.726 -2.811) 4.728 8.784 ( 0.754 2.452 0.164) 2.570 8.804 ( -1.325 2.313 -0.282) 2.681 8.902 ( 2.483 3.601 0.071) 4.375 8.931 ( -0.461 3.157 0.100) 3.192 9.388 ( 0.506 -9.389 -1.245) 9.485 9.403 ( -1.497 -10.319 1.101) 10.485 9.503 ( 1.325 -5.481 0.783) 5.693 9.531 ( -1.004 -7.063 -0.793) 7.178 9.634 ( 2.204 -1.980 -1.727) 3.430 9.671 ( -2.193 -2.398 1.009) 3.402 9.856 ( 2.249 -3.514 2.913) 5.089 9.893 ( -0.393 -3.857 -1.781) 4.266 10.096 ( 0.628 -18.207 1.024) 18.247 10.101 ( 0.694 -19.815 -0.740) 19.841 10.180 ( 0.048 -17.653 1.346) 17.704 10.194 ( -0.371 -17.081 -1.690) 17.168 10.601 ( 4.004 17.370 1.083) 17.859 10.733 ( -8.109 12.485 -3.613) 15.320 10.850 ( 1.592 16.946 2.505) 17.204 10.894 ( -2.538 16.110 -1.296) 16.360 11.032 ( 1.684 1.674 0.147) 2.379 11.070 ( -1.829 0.336 -1.271) 2.253 11.247 ( 3.178 0.249 2.852) 4.278 11.297 ( -1.136 0.057 -1.195) 1.650 11.437 ( 9.809 17.987 5.027) 21.095 11.482 ( 9.111 12.623 -3.566) 15.971 11.686 ( -6.883 20.135 -9.995) 23.509 11.763 ( -15.836 13.115 8.578) 22.279 12.166 ( 2.375 6.826 0.474) 7.243 12.214 ( -1.745 6.625 -0.425) 6.865 12.270 ( 1.009 6.710 3.537) 7.652 12.316 ( -1.712 6.479 -2.354) 7.103 14.175 ( 0.641 8.830 -0.890) 8.898 14.186 ( -0.781 8.253 0.719) 8.321 14.320 ( 0.743 9.337 0.171) 9.368 14.341 ( -1.142 8.138 -0.059) 8.218 14.660 ( 0.039 0.947 1.850) 2.079 14.680 ( -0.953 1.085 -2.162) 2.600 14.835 ( 2.537 2.106 -1.157) 3.495 14.873 ( -1.550 1.888 1.394) 2.812 15.026 ( 0.354 4.295 0.721) 4.369 15.044 ( -1.581 6.951 -1.646) 7.316 15.163 ( 3.855 12.611 1.787) 13.308 15.249 ( -4.204 11.617 -0.477) 12.364 15.406 ( 0.510 8.257 -0.053) 8.273 15.452 ( -3.196 7.534 -0.974) 8.242 15.768 ( 4.400 3.370 5.616) 7.890 15.874 ( -4.001 2.603 -4.861) 6.812 16.474 ( 10.462 2.418 6.405) 12.503 16.752 ( -13.835 4.883 -8.824) 17.121 17.113 ( 8.148 -3.564 2.270) 9.179 17.259 ( -6.495 -1.563 -0.244) 6.685 17.410 ( -0.259 3.052 -0.778) 3.160 17.437 ( -3.333 -0.287 1.130) 3.531 17.866 ( 7.385 -6.318 4.564) 10.737 17.997 ( -4.158 -4.964 -3.269) 7.253 18.075 ( 2.165 3.706 0.623) 4.337 18.124 ( -2.662 2.581 -0.357) 3.725 18.249 ( 2.697 5.168 0.100) 5.830 18.306 ( -2.963 3.928 0.900) 5.002 18.601 ( -0.367 -0.679 0.842) 1.142 18.622 ( -1.626 -1.168 -1.552) 2.533 18.738 ( 1.333 -0.837 1.209) 1.985 18.762 ( -0.682 -0.933 -0.330) 1.202 21.652 ( 1.493 1.782 0.761) 2.446 21.693 ( -1.833 1.387 -1.554) 2.775 21.847 ( 4.820 -1.100 -0.382) 4.958 21.954 ( -6.145 -2.397 -0.436) 6.610 22.240 ( 4.443 1.028 -2.115) 5.027 22.299 ( -2.874 1.373 1.852) 3.684 22.380 ( 3.750 -7.823 2.034) 8.911 22.464 ( -3.642 -8.499 -1.977) 9.455 22.651 ( 3.340 -4.802 3.813) 6.982 22.727 ( -2.715 -5.940 -2.971) 7.175 23.001 ( 2.525 -1.578 0.430) 3.008 23.047 ( -1.819 -2.275 -0.849) 3.034 23.178 ( 3.912 -3.714 0.808) 5.454 23.245 ( -2.386 -3.515 -0.136) 4.251 23.285 ( -0.014 -4.666 2.838) 5.461 23.291 ( 0.899 -4.706 -3.359) 5.851 ======================= Grid point 128 (58/66) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 1.594 16.592 -10.098) 19.488 1.595 ( -1.594 16.592 10.098) 19.488 1.773 ( -3.978 16.113 -8.883) 18.824 1.773 ( 3.978 16.113 8.883) 18.824 1.874 ( 2.288 14.896 -5.853) 16.168 1.874 ( -2.288 14.896 5.853) 16.168 2.449 ( -4.144 8.115 -2.753) 9.519 2.449 ( 4.144 8.115 2.753) 9.519 2.615 ( 0.448 2.337 -3.929) 4.593 2.615 ( -0.448 2.337 3.929) 4.593 2.787 ( -0.626 2.879 -5.904) 6.598 2.787 ( 0.626 2.879 5.904) 6.598 2.818 ( 1.398 5.407 -4.843) 7.392 2.818 ( -1.398 5.407 4.843) 7.392 3.017 ( 2.337 -3.407 -6.520) 7.719 3.017 ( -2.337 -3.407 6.520) 7.719 3.116 ( -0.996 1.104 -1.599) 2.183 3.116 ( 0.996 1.104 1.599) 2.183 3.374 ( -0.462 2.026 -0.833) 2.239 3.374 ( 0.462 2.026 0.833) 2.239 3.407 ( 1.078 -1.027 -4.653) 4.885 3.407 ( -1.078 -1.027 4.653) 4.885 3.595 ( -3.318 1.996 -1.348) 4.100 3.595 ( 3.318 1.996 1.348) 4.100 3.878 ( -3.101 -1.477 -0.613) 3.489 3.878 ( 3.101 -1.477 0.613) 3.489 4.026 ( -0.291 -3.655 -5.891) 6.939 4.026 ( 0.291 -3.655 5.891) 6.939 4.243 ( -0.047 -3.267 -4.822) 5.824 4.243 ( 0.047 -3.267 4.822) 5.824 4.482 ( -0.866 0.056 -3.550) 3.654 4.482 ( 0.866 0.056 3.550) 3.654 4.633 ( 1.265 6.649 -1.817) 7.008 4.633 ( -1.265 6.649 1.817) 7.008 4.778 ( -3.419 4.023 -2.570) 5.872 4.778 ( 3.419 4.023 2.570) 5.872 4.943 ( 1.786 -1.431 -6.261) 6.666 4.943 ( -1.786 -1.431 6.261) 6.666 5.006 ( -2.796 2.538 -0.012) 3.776 5.006 ( 2.796 2.538 0.012) 3.776 5.082 ( -1.464 -6.177 -3.375) 7.190 5.082 ( 1.464 -6.177 3.375) 7.190 5.235 ( -0.754 -4.356 -1.455) 4.654 5.235 ( 0.754 -4.356 1.455) 4.654 5.323 ( -1.452 -2.520 -2.511) 3.842 5.323 ( 1.452 -2.520 2.511) 3.842 5.358 ( -1.428 -3.162 -2.081) 4.046 5.358 ( 1.428 -3.162 2.081) 4.046 5.543 ( -0.133 -0.683 -1.422) 1.583 5.543 ( 0.133 -0.683 1.422) 1.583 5.771 ( 0.712 4.619 -2.452) 5.277 5.771 ( -0.712 4.619 2.452) 5.277 5.865 ( -2.258 -0.648 -3.713) 4.393 5.865 ( 2.258 -0.648 3.713) 4.393 6.059 ( -1.086 -0.158 -1.872) 2.170 6.059 ( 1.086 -0.158 1.872) 2.170 6.296 ( -3.090 2.099 -4.376) 5.753 6.296 ( 3.090 2.099 4.376) 5.753 6.334 ( 2.740 -0.476 -3.873) 4.768 6.334 ( -2.740 -0.476 3.873) 4.768 6.566 ( -2.044 5.980 -2.593) 6.831 6.566 ( 2.044 5.980 2.593) 6.831 6.586 ( 0.916 2.763 -2.847) 4.072 6.586 ( -0.916 2.763 2.847) 4.072 6.707 ( -6.293 -0.530 -6.179) 8.835 6.707 ( 6.293 -0.530 6.179) 8.835 6.974 ( -1.051 -1.140 -1.118) 1.911 6.974 ( 1.051 -1.140 1.118) 1.911 7.069 ( -2.242 0.311 -1.015) 2.481 7.069 ( 2.242 0.311 1.015) 2.481 7.153 ( -6.303 -4.890 -2.963) 8.510 7.153 ( 6.303 -4.890 2.963) 8.510 7.253 ( -1.860 0.732 -3.453) 3.990 7.253 ( 1.860 0.732 3.453) 3.990 7.397 ( -2.001 -3.025 0.214) 3.633 7.397 ( 2.001 -3.025 -0.214) 3.633 7.486 ( 0.469 -1.826 -3.780) 4.224 7.486 ( -0.469 -1.826 3.780) 4.224 7.756 ( -0.598 -3.468 -3.945) 5.286 7.756 ( 0.598 -3.468 3.945) 5.286 7.997 ( -2.041 -2.138 -1.135) 3.166 7.997 ( 2.041 -2.138 1.135) 3.166 8.046 ( -2.247 -2.523 0.438) 3.406 8.046 ( 2.247 -2.523 -0.438) 3.406 8.357 ( 1.889 0.457 -5.273) 5.620 8.357 ( -1.889 0.457 5.273) 5.620 8.524 ( 0.429 1.356 -1.963) 2.424 8.524 ( -0.429 1.356 1.963) 2.424 8.822 ( -0.474 -1.197 -1.591) 2.047 8.822 ( 0.474 -1.197 1.591) 2.047 8.874 ( -1.418 -2.823 -0.877) 3.278 8.874 ( 1.418 -2.823 0.877) 3.278 9.235 ( -0.084 -11.226 -0.523) 11.238 9.235 ( 0.084 -11.226 0.523) 11.238 9.333 ( -3.654 -7.075 -2.409) 8.319 9.333 ( 3.654 -7.075 2.409) 8.319 9.532 ( 0.419 -10.366 -1.851) 10.538 9.532 ( -0.419 -10.366 1.851) 10.538 9.676 ( 3.051 -10.580 -2.928) 11.394 9.676 ( -3.051 -10.580 2.928) 11.394 9.891 ( 0.738 -4.479 -2.329) 5.102 9.891 ( -0.738 -4.479 2.329) 5.102 9.952 ( 0.493 -4.270 -2.032) 4.755 9.952 ( -0.493 -4.270 2.032) 4.755 10.868 ( -2.631 4.846 -3.623) 6.598 10.868 ( 2.631 4.846 3.623) 6.598 11.051 ( -2.094 -0.283 0.368) 2.145 11.051 ( 2.094 -0.283 -0.368) 2.145 11.124 ( -0.313 2.107 -2.291) 3.128 11.124 ( 0.313 2.107 2.291) 3.128 11.252 ( -1.234 -0.925 -1.835) 2.397 11.252 ( 1.234 -0.925 1.835) 2.397 11.542 ( -1.933 21.456 -4.863) 22.085 11.542 ( 1.933 21.456 4.863) 22.085 12.183 ( 0.376 2.851 -6.776) 7.361 12.183 ( -0.376 2.851 6.776) 7.361 12.293 ( 2.593 7.183 -15.359) 17.153 12.293 ( -2.593 7.183 15.359) 17.153 12.433 ( 0.911 3.017 -1.924) 3.692 12.433 ( -0.911 3.017 1.924) 3.692 14.333 ( -0.039 7.452 -1.104) 7.533 14.333 ( 0.039 7.452 1.104) 7.533 14.490 ( 0.622 6.474 -2.444) 6.948 14.490 ( -0.622 6.474 2.444) 6.948 14.688 ( 0.563 0.736 -1.481) 1.747 14.688 ( -0.563 0.736 1.481) 1.747 14.870 ( -0.856 -0.015 -3.402) 3.508 14.870 ( 0.856 -0.015 3.402) 3.508 15.208 ( -3.524 10.147 -2.485) 11.025 15.208 ( 3.524 10.147 2.485) 11.025 15.411 ( 0.550 3.962 -3.932) 5.609 15.411 ( -0.550 3.962 3.932) 5.609 15.621 ( 0.021 4.894 -2.286) 5.402 15.621 ( -0.021 4.894 2.286) 5.402 15.754 ( -5.800 1.663 -3.154) 6.809 15.754 ( 5.800 1.663 3.154) 6.809 16.620 ( -9.861 3.825 -6.901) 12.629 16.620 ( 9.861 3.825 6.901) 12.629 17.341 ( -1.185 -0.193 -11.457) 11.520 17.341 ( 1.185 -0.193 11.457) 11.520 17.521 ( -2.865 0.774 -0.954) 3.117 17.521 ( 2.865 0.774 0.954) 3.117 17.783 ( -9.202 -1.451 -6.908) 11.598 17.783 ( 9.202 -1.451 6.908) 11.598 18.215 ( -1.794 3.814 -2.557) 4.929 18.215 ( 1.794 3.814 2.557) 4.929 18.295 ( -1.277 2.108 -1.418) 2.844 18.295 ( 1.277 2.108 1.418) 2.844 18.644 ( -0.536 -2.061 -1.975) 2.905 18.644 ( 0.536 -2.061 1.975) 2.905 18.687 ( -1.731 -2.998 -1.051) 3.618 18.687 ( 1.731 -2.998 1.051) 3.618 21.721 ( -1.698 0.644 -1.352) 2.264 21.721 ( 1.698 0.644 1.352) 2.264 21.829 ( -3.245 -0.569 -2.460) 4.112 21.829 ( 3.245 -0.569 2.460) 4.112 22.270 ( -0.564 0.781 -1.687) 1.943 22.270 ( 0.564 0.781 1.687) 1.943 22.423 ( -1.733 -2.476 -1.785) 3.511 22.423 ( 1.733 -2.476 1.785) 3.511 22.529 ( -5.516 -4.403 0.374) 7.068 22.529 ( 5.516 -4.403 -0.374) 7.068 22.964 ( -1.423 -1.035 -1.817) 2.530 22.964 ( 1.423 -1.035 1.817) 2.530 23.106 ( -2.894 -4.705 -1.008) 5.615 23.106 ( 2.894 -4.705 1.008) 5.615 23.201 ( 0.501 -3.487 -1.740) 3.929 23.201 ( -0.501 -3.487 1.740) 3.929 ======================= Grid point 130 (59/66) ======================= q-point: ( 0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -1.886 16.869 -2.430) 17.147 1.649 ( 3.895 20.195 -4.688) 21.095 1.687 ( -1.752 11.072 -4.579) 12.109 1.801 ( -2.667 17.176 2.592) 17.574 1.909 ( 1.386 17.254 2.418) 17.478 1.942 ( 6.237 11.317 4.287) 13.615 2.331 ( -8.351 5.236 -1.841) 10.027 2.529 ( 1.209 8.798 1.319) 8.978 2.583 ( -2.049 4.480 2.364) 5.464 2.630 ( -1.171 5.542 -0.176) 5.667 2.714 ( 2.202 4.038 -4.163) 6.204 2.746 ( -3.222 4.170 2.775) 5.955 2.865 ( 1.627 0.989 3.015) 3.566 2.871 ( 3.151 3.821 -2.542) 5.567 2.979 ( -3.523 0.942 3.766) 5.242 3.037 ( 1.998 -1.642 -4.002) 4.765 3.097 ( -0.029 3.748 -1.165) 3.925 3.150 ( 1.295 -2.853 0.962) 3.278 3.316 ( -5.401 1.197 1.819) 5.824 3.359 ( -1.557 2.872 2.423) 4.067 3.439 ( 1.365 -1.968 0.361) 2.422 3.459 ( 3.919 0.486 -1.760) 4.323 3.527 ( -1.702 -2.521 -1.461) 3.374 3.668 ( 3.903 1.633 -0.059) 4.231 3.804 ( -3.036 0.194 0.413) 3.070 3.954 ( 3.714 -3.528 -3.432) 6.166 3.960 ( -3.215 -3.654 1.851) 5.207 4.069 ( 0.882 -0.969 2.142) 2.511 4.183 ( -2.660 -0.819 1.856) 3.345 4.316 ( 3.590 -5.006 -0.042) 6.160 4.433 ( -1.393 -5.756 -7.001) 9.169 4.490 ( -4.383 3.656 -1.186) 5.830 4.570 ( -2.246 4.991 3.078) 6.279 4.642 ( 0.239 2.843 -1.220) 3.103 4.757 ( -0.601 2.800 -2.977) 4.131 4.814 ( -0.529 1.506 2.989) 3.389 4.866 ( -0.693 11.204 2.807) 11.571 4.911 ( -4.128 -3.985 -0.584) 5.767 5.021 ( 1.915 -3.660 -0.069) 4.131 5.037 ( 0.910 -2.350 -2.830) 3.789 5.098 ( 1.364 -1.614 -0.524) 2.177 5.138 ( 0.614 -4.469 2.509) 5.162 5.201 ( 0.335 -4.105 -0.097) 4.120 5.227 ( 1.915 0.947 -0.297) 2.157 5.317 ( -0.143 -0.891 4.114) 4.212 5.335 ( 0.211 -4.178 -0.456) 4.208 5.432 ( 4.204 -2.894 -1.447) 5.305 5.455 ( 5.590 0.286 -4.570) 7.226 5.490 ( 2.219 -6.440 5.269) 8.612 5.644 ( 1.448 2.175 2.421) 3.562 5.698 ( -0.963 3.166 4.200) 5.347 5.785 ( 1.068 -3.696 -3.283) 5.057 5.847 ( -0.620 2.379 -3.783) 4.511 5.904 ( -1.502 1.340 -0.922) 2.214 6.016 ( -1.894 2.416 1.307) 3.337 6.076 ( 2.517 -0.460 -1.146) 2.803 6.198 ( -4.398 2.281 -1.778) 5.264 6.306 ( -1.821 -1.261 2.147) 3.085 6.359 ( 1.618 2.390 1.039) 3.067 6.420 ( 3.189 3.966 4.576) 6.844 6.490 ( -2.241 1.559 -0.703) 2.819 6.562 ( -5.060 1.094 -5.762) 7.746 6.579 ( -0.905 2.820 0.014) 2.962 6.592 ( 1.464 6.011 -2.162) 6.554 6.651 ( 3.221 2.078 -0.299) 3.845 6.825 ( -0.184 -3.542 3.742) 5.156 6.867 ( -4.021 2.248 -1.146) 4.747 6.959 ( -2.203 -1.334 0.858) 2.715 7.002 ( -2.568 -0.745 -0.875) 2.813 7.075 ( 0.174 -2.061 0.941) 2.272 7.109 ( -0.967 -3.404 -2.373) 4.260 7.217 ( -0.212 -7.097 -3.390) 7.868 7.269 ( 3.203 -0.367 -0.347) 3.242 7.324 ( 2.824 -0.650 4.265) 5.156 7.378 ( 1.560 0.475 0.126) 1.636 7.424 ( 0.819 -0.353 0.488) 1.017 7.511 ( 2.511 -4.567 3.036) 6.031 7.537 ( 4.373 -0.824 -2.809) 5.262 7.734 ( -0.226 -3.480 -1.558) 3.820 7.787 ( 0.437 -2.829 4.295) 5.161 7.928 ( -3.438 -3.206 -0.119) 4.702 7.997 ( -2.795 -2.566 -0.466) 3.823 8.039 ( 0.109 -1.694 2.665) 3.160 8.069 ( 0.794 -2.352 -3.122) 3.989 8.346 ( -1.292 -0.372 4.122) 4.336 8.363 ( 1.571 1.881 -6.494) 6.941 8.481 ( -2.379 2.481 1.317) 3.681 8.536 ( -0.645 2.054 -0.429) 2.195 8.798 ( -0.514 -0.604 0.063) 0.795 8.835 ( -0.579 -3.609 -0.673) 3.716 8.871 ( 1.731 -1.106 0.031) 2.054 8.907 ( 1.390 -2.727 0.385) 3.085 9.179 ( -2.704 -12.468 1.992) 12.912 9.239 ( -3.561 -8.638 -2.818) 9.759 9.311 ( 3.184 -11.352 -0.686) 11.811 9.384 ( 0.288 -8.185 2.058) 8.445 9.496 ( 0.402 -8.802 -0.813) 8.848 9.602 ( 2.443 -8.256 -0.730) 8.640 9.633 ( -1.293 -12.848 2.563) 13.165 9.713 ( 1.731 -10.910 -1.767) 11.187 9.873 ( -1.653 -5.489 1.347) 5.888 9.878 ( -1.461 -3.605 0.712) 3.955 9.964 ( 1.630 -3.475 -1.372) 4.076 9.973 ( 1.347 -4.281 -0.040) 4.488 10.818 ( -1.031 6.947 -2.013) 7.306 10.936 ( 2.470 2.583 3.658) 5.114 10.984 ( -4.328 2.136 -0.831) 4.898 11.061 ( -0.056 0.238 -1.725) 1.742 11.091 ( -1.100 1.538 0.115) 1.894 11.178 ( 0.529 0.746 0.896) 1.281 11.197 ( -1.188 2.695 0.470) 2.983 11.283 ( 0.644 -1.752 0.873) 2.061 11.569 ( 7.582 19.363 -6.527) 21.795 11.657 ( 7.170 19.723 4.795) 21.526 12.118 ( -5.862 5.497 2.114) 8.309 12.205 ( -3.642 7.218 -1.730) 8.268 12.230 ( 0.411 5.182 -5.870) 7.841 12.303 ( -0.872 5.131 5.946) 7.902 12.394 ( -2.913 3.300 1.383) 4.614 12.436 ( -0.511 2.782 -1.474) 3.189 14.328 ( 0.128 6.994 -0.837) 7.045 14.338 ( -0.011 7.582 0.605) 7.606 14.486 ( -0.168 7.073 -0.127) 7.076 14.491 ( -0.136 6.263 0.046) 6.265 14.676 ( -0.447 0.996 1.141) 1.579 14.708 ( 1.046 1.088 -0.717) 1.671 14.837 ( -0.498 -0.135 -2.758) 2.805 14.894 ( -0.195 -0.140 2.646) 2.657 15.156 ( -1.093 8.784 -0.518) 8.867 15.283 ( 1.224 9.973 1.564) 10.169 15.331 ( -3.336 7.336 -2.912) 8.569 15.391 ( -2.003 1.304 1.414) 2.777 15.597 ( -3.998 3.887 0.452) 5.594 15.650 ( 1.744 9.449 -0.172) 9.610 15.710 ( 3.927 1.287 1.625) 4.441 15.899 ( 5.175 -0.504 -0.834) 5.266 16.459 ( -2.587 7.016 -1.552) 7.637 16.854 ( 11.182 2.430 4.263) 12.212 17.184 ( -10.071 2.659 -10.785) 14.993 17.344 ( -4.243 0.412 5.946) 7.316 17.488 ( -2.132 0.205 -0.942) 2.339 17.558 ( -8.525 1.762 -0.960) 8.758 17.614 ( 5.991 -3.045 1.095) 6.809 17.930 ( 1.776 -4.289 4.344) 6.358 18.155 ( -1.915 4.271 -1.048) 4.796 18.231 ( -1.737 3.690 0.089) 4.079 18.292 ( 2.067 3.944 -0.010) 4.452 18.341 ( 2.049 0.613 0.453) 2.186 18.616 ( -1.565 -1.299 -0.603) 2.122 18.639 ( -2.504 -2.253 -1.081) 3.537 18.672 ( 1.327 -2.423 1.357) 3.078 18.717 ( 0.850 -3.229 0.645) 3.400 21.687 ( -0.746 1.842 -1.352) 2.404 21.753 ( -0.030 1.304 0.644) 1.454 21.772 ( 0.349 -0.330 -1.154) 1.250 21.915 ( 2.826 -3.680 0.350) 4.653 22.219 ( -2.162 0.766 0.065) 2.295 22.297 ( 0.605 0.917 0.454) 1.188 22.372 ( -2.607 1.187 0.074) 2.865 22.399 ( -3.422 -5.602 -0.989) 6.638 22.502 ( 1.898 -3.852 2.216) 4.832 22.618 ( 2.577 -5.881 -0.801) 6.471 22.948 ( 0.388 -1.157 -1.036) 1.601 23.013 ( 1.803 -1.744 1.007) 2.703 23.055 ( -0.673 -3.978 -0.600) 4.079 23.159 ( 2.017 -5.015 0.785) 5.462 23.199 ( -0.292 -3.206 0.528) 3.263 23.206 ( 0.686 -3.517 -1.201) 3.780 ======================= Grid point 131 (60/66) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 1.643 16.252 0.609) 16.346 1.598 ( -4.346 12.662 -3.588) 13.860 1.757 ( 9.648 17.931 -4.436) 20.839 1.826 ( 2.602 17.458 4.027) 18.104 1.892 ( -2.134 14.387 -2.767) 14.805 1.978 ( -8.832 11.790 1.417) 14.800 2.246 ( 4.567 8.036 5.323) 10.666 2.423 ( -9.069 6.921 -3.285) 11.872 2.593 ( 1.345 6.726 4.159) 8.021 2.635 ( -0.016 8.749 -2.904) 9.218 2.725 ( 0.765 2.138 4.110) 4.695 2.766 ( 0.797 2.454 -3.513) 4.358 2.901 ( 1.877 0.395 -2.290) 2.988 2.910 ( -0.059 1.500 4.071) 4.339 2.956 ( 2.533 6.981 0.221) 7.429 3.031 ( -2.399 5.608 -1.876) 6.381 3.119 ( 2.789 -0.709 -0.862) 3.004 3.158 ( -0.713 -2.442 -0.592) 2.612 3.242 ( -1.804 -0.963 1.839) 2.750 3.291 ( -4.992 -2.328 -0.510) 5.532 3.465 ( 0.950 0.242 1.106) 1.478 3.480 ( 0.194 -0.349 -0.923) 1.006 3.580 ( 5.203 -3.059 2.729) 6.624 3.683 ( -3.033 1.870 -2.345) 4.266 3.803 ( 3.202 -1.933 0.538) 3.779 3.889 ( -5.014 -3.948 -0.321) 6.389 4.029 ( 6.754 1.845 -4.060) 8.093 4.090 ( -0.099 2.980 0.991) 3.142 4.175 ( 0.427 -3.649 5.462) 6.583 4.289 ( -9.121 -1.638 -0.665) 9.291 4.380 ( 0.175 -4.873 0.923) 4.962 4.398 ( -0.403 -6.465 -4.709) 8.009 4.604 ( 2.332 1.261 2.153) 3.415 4.644 ( 0.577 -1.388 -4.842) 5.070 4.713 ( 0.480 8.503 -1.597) 8.664 4.776 ( -6.605 4.908 4.564) 9.410 4.890 ( 4.657 -3.974 0.576) 6.149 4.931 ( 2.526 4.576 3.913) 6.529 4.986 ( -5.760 -5.289 2.559) 8.228 5.002 ( -1.625 2.687 -7.090) 7.754 5.125 ( 2.996 -1.633 -0.900) 3.529 5.175 ( -1.149 -3.348 1.284) 3.765 5.222 ( 3.701 -1.910 -4.121) 5.859 5.267 ( 2.903 -4.386 0.032) 5.260 5.310 ( -0.768 1.351 1.436) 2.116 5.370 ( -5.293 -2.798 3.920) 7.156 5.454 ( 7.319 0.615 2.654) 7.810 5.558 ( -2.610 -0.705 0.095) 2.705 5.568 ( 7.431 -1.728 -2.366) 7.988 5.669 ( -0.913 -0.405 1.149) 1.522 5.723 ( 3.913 -1.611 -0.911) 4.329 5.773 ( -3.431 2.297 1.523) 4.401 5.797 ( -1.622 -1.449 -1.178) 2.474 5.854 ( -2.245 -0.384 -0.831) 2.425 6.034 ( 3.830 1.596 1.705) 4.486 6.129 ( -3.695 2.850 -2.308) 5.206 6.147 ( 5.220 0.693 -0.681) 5.310 6.241 ( -4.655 0.087 -0.390) 4.672 6.372 ( -0.513 5.825 -1.616) 6.067 6.391 ( -3.682 3.460 2.325) 5.562 6.485 ( -0.960 0.249 0.286) 1.032 6.511 ( -3.409 0.044 -1.727) 3.822 6.555 ( 3.125 1.983 6.495) 7.476 6.616 ( 0.416 2.026 -5.505) 5.880 6.715 ( 5.180 4.242 -0.781) 6.740 6.779 ( 0.210 3.500 -0.409) 3.530 6.859 ( -2.709 -1.133 3.147) 4.304 6.886 ( -4.675 -1.835 -1.791) 5.333 7.011 ( 2.745 -2.947 0.795) 4.105 7.063 ( -2.344 -2.667 -0.118) 3.552 7.112 ( 2.924 -6.529 -0.586) 7.178 7.172 ( -2.495 -8.552 -2.327) 9.207 7.311 ( 1.381 1.631 0.628) 2.228 7.339 ( -1.579 0.234 0.744) 1.762 7.454 ( 4.315 1.942 -1.172) 4.875 7.461 ( 1.859 3.691 2.171) 4.668 7.552 ( 1.406 -4.411 1.738) 4.945 7.591 ( 0.298 -6.457 -2.166) 6.818 7.749 ( 2.781 -2.999 -0.309) 4.101 7.798 ( -1.774 -2.168 2.839) 3.988 7.889 ( 0.547 -3.866 -0.905) 4.008 7.937 ( -3.616 -3.462 0.398) 5.022 8.034 ( -0.831 -1.692 2.281) 2.959 8.050 ( -0.962 -1.178 -2.754) 3.146 8.351 ( -0.112 0.192 3.511) 3.518 8.361 ( 1.000 1.625 -5.234) 5.571 8.466 ( 0.470 3.930 0.890) 4.057 8.502 ( -2.421 3.720 -0.363) 4.453 8.803 ( 0.590 -0.504 1.058) 1.312 8.821 ( -0.531 -1.037 -1.211) 1.681 8.907 ( 1.504 -2.681 0.302) 3.088 8.921 ( 0.061 -3.089 -0.096) 3.091 9.155 ( -0.893 -12.948 2.543) 13.225 9.174 ( -1.731 -12.141 -2.654) 12.548 9.352 ( 1.720 -10.273 -1.035) 10.468 9.377 ( -1.362 -10.185 1.229) 10.349 9.528 ( 3.079 -8.772 -2.195) 9.552 9.575 ( -3.109 -9.316 3.226) 10.338 9.683 ( 3.204 -11.659 -1.265) 12.158 9.719 ( -0.768 -11.320 -0.107) 11.346 9.853 ( -0.422 -4.942 -0.508) 4.986 9.856 ( -1.196 -3.667 1.641) 4.192 9.987 ( 1.265 -3.375 -1.394) 3.864 9.992 ( 0.272 -3.757 0.765) 3.844 10.822 ( 1.970 7.055 0.006) 7.325 10.887 ( -4.380 4.721 -1.249) 6.560 11.002 ( 2.205 1.982 3.202) 4.364 11.044 ( -0.815 0.184 -2.713) 2.838 11.084 ( 0.436 2.897 0.308) 2.946 11.118 ( -3.183 4.128 0.250) 5.218 11.247 ( 2.527 -0.193 0.821) 2.664 11.282 ( -0.948 -1.290 0.037) 1.601 11.738 ( 12.926 14.640 -8.635) 21.354 11.826 ( 6.325 17.295 7.615) 19.928 11.976 ( -10.728 10.133 10.053) 17.856 12.046 ( -7.140 13.952 -11.496) 19.437 12.262 ( 2.361 3.268 0.243) 4.040 12.307 ( -1.662 3.186 0.488) 3.626 12.366 ( -0.008 3.258 3.881) 5.067 12.405 ( -1.596 2.725 -2.769) 4.200 14.331 ( 0.408 6.857 -0.456) 6.884 14.337 ( -0.316 7.229 0.289) 7.242 14.485 ( 0.404 7.176 -1.613) 7.367 14.487 ( -0.600 6.727 1.638) 6.950 14.683 ( 0.520 1.450 1.730) 2.316 14.706 ( -0.714 1.716 -1.726) 2.537 14.843 ( 2.221 -0.539 -1.986) 3.028 14.881 ( -2.213 -0.467 2.095) 3.083 15.160 ( 1.197 8.072 1.278) 8.260 15.213 ( -3.641 8.523 -2.543) 9.611 15.335 ( 1.497 4.352 -0.598) 4.641 15.371 ( -2.202 3.055 1.773) 4.162 15.585 ( 2.201 9.376 3.586) 10.277 15.650 ( -1.465 10.373 -3.426) 11.022 15.803 ( 4.110 0.583 3.631) 5.515 15.893 ( -2.999 -0.081 -4.960) 5.797 16.566 ( 11.113 7.416 7.732) 15.436 16.864 ( -14.045 6.536 -11.493) 19.289 17.088 ( 9.134 0.870 1.755) 9.341 17.253 ( -7.678 0.828 1.865) 7.944 17.432 ( -0.545 -0.301 2.549) 2.624 17.476 ( -2.786 3.049 -1.990) 4.584 17.749 ( 7.154 -5.576 2.200) 9.333 17.885 ( -5.940 -5.907 -0.702) 8.406 18.156 ( 1.475 4.516 0.604) 4.789 18.192 ( -1.926 4.085 -0.694) 4.570 18.334 ( 2.090 3.426 0.076) 4.014 18.360 ( -0.422 1.564 0.405) 1.669 18.587 ( -0.959 -0.740 0.786) 1.444 18.596 ( -1.185 -1.450 -1.630) 2.483 18.703 ( 1.235 -2.659 1.015) 3.103 18.722 ( -0.393 -2.987 -0.223) 3.021 21.691 ( 1.262 2.155 0.313) 2.517 21.724 ( -1.650 1.803 -1.020) 2.648 21.823 ( 3.736 -1.261 0.412) 3.964 21.901 ( -3.566 -2.914 -0.560) 4.639 22.233 ( 3.445 -1.688 -0.547) 3.875 22.295 ( -2.118 -1.937 1.377) 3.184 22.334 ( -1.398 0.908 1.515) 2.253 22.345 ( -1.211 -1.678 -2.260) 3.064 22.559 ( 2.738 -4.655 2.257) 5.854 22.614 ( -1.735 -5.663 -1.823) 6.197 22.963 ( 1.277 -2.199 0.072) 2.544 22.993 ( -1.734 -3.047 -0.548) 3.548 23.111 ( 3.685 -2.947 0.791) 4.784 23.166 ( -1.746 -4.145 0.196) 4.502 23.204 ( 0.883 -3.454 -0.347) 3.582 23.212 ( 0.144 -3.619 -0.329) 3.637 ======================= Grid point 134 (61/66) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 2.158 16.244 -9.398) 18.890 1.907 ( -2.158 16.244 9.398) 18.890 2.060 ( -4.379 14.298 -2.328) 15.133 2.060 ( 4.379 14.298 2.328) 15.133 2.253 ( -0.265 19.119 -6.293) 20.130 2.253 ( 0.265 19.119 6.293) 20.130 2.557 ( -2.382 0.364 -0.281) 2.426 2.557 ( 2.382 0.364 0.281) 2.426 2.623 ( -0.435 -2.509 -2.291) 3.425 2.623 ( 0.435 -2.509 2.291) 3.425 2.763 ( 2.329 0.661 -1.279) 2.738 2.763 ( -2.329 0.661 1.279) 2.738 2.875 ( 0.536 -0.312 -2.606) 2.679 2.875 ( -0.536 -0.312 2.606) 2.679 2.980 ( -1.691 0.677 -3.353) 3.815 2.980 ( 1.691 0.677 3.353) 3.815 3.066 ( -1.419 -5.251 -1.972) 5.786 3.066 ( 1.419 -5.251 1.972) 5.786 3.302 ( 1.250 -7.708 -1.136) 7.891 3.302 ( -1.250 -7.708 1.136) 7.891 3.416 ( -1.271 2.070 -2.223) 3.293 3.416 ( 1.271 2.070 2.223) 3.293 3.563 ( -1.715 -5.202 -1.194) 5.606 3.563 ( 1.715 -5.202 1.194) 5.606 3.850 ( -2.047 -1.151 -3.803) 4.470 3.850 ( 2.047 -1.151 3.803) 4.470 3.983 ( -2.554 -0.927 -5.042) 5.727 3.983 ( 2.554 -0.927 5.042) 5.727 4.146 ( -0.439 -3.230 -5.037) 6.000 4.146 ( 0.439 -3.230 5.037) 6.000 4.448 ( -1.184 -8.992 -0.613) 9.090 4.448 ( 1.184 -8.992 0.613) 9.090 4.616 ( 2.327 -1.335 -4.353) 5.113 4.616 ( -2.327 -1.335 4.353) 5.113 4.802 ( 6.290 -6.537 -7.200) 11.582 4.802 ( -6.290 -6.537 7.200) 11.582 4.957 ( 1.934 5.565 -2.729) 6.493 4.957 ( -1.934 5.565 2.729) 6.493 5.044 ( -5.662 1.732 -3.998) 7.144 5.044 ( 5.662 1.732 3.998) 7.144 5.128 ( -5.525 1.590 1.022) 5.839 5.128 ( 5.525 1.590 -1.022) 5.839 5.213 ( -3.762 -3.476 -3.574) 6.245 5.213 ( 3.762 -3.476 3.574) 6.245 5.375 ( -2.693 15.041 0.400) 15.285 5.375 ( 2.693 15.041 -0.400) 15.285 5.448 ( 3.052 12.437 -6.354) 14.295 5.448 ( -3.052 12.437 6.354) 14.295 5.567 ( -1.378 3.463 -0.939) 3.843 5.567 ( 1.378 3.463 0.939) 3.843 5.788 ( 3.787 -2.058 -1.388) 4.528 5.788 ( -3.787 -2.058 1.388) 4.528 5.911 ( -1.082 4.507 -2.489) 5.261 5.911 ( 1.082 4.507 2.489) 5.261 6.046 ( -2.150 -2.175 -1.678) 3.488 6.046 ( 2.150 -2.175 1.678) 3.488 6.263 ( 2.058 -1.946 -4.157) 5.030 6.263 ( -2.058 -1.946 4.157) 5.030 6.359 ( -2.197 0.524 -1.600) 2.768 6.359 ( 2.197 0.524 1.600) 2.768 6.562 ( -2.098 -3.380 -5.243) 6.581 6.562 ( 2.098 -3.380 5.243) 6.581 6.672 ( -5.535 -0.798 -3.348) 6.518 6.672 ( 5.535 -0.798 3.348) 6.518 6.735 ( 1.200 5.663 -4.954) 7.619 6.735 ( -1.200 5.663 4.954) 7.619 6.920 ( 2.761 -3.211 -2.766) 5.058 6.920 ( -2.761 -3.211 2.766) 5.058 7.007 ( 1.545 -7.057 -2.752) 7.730 7.007 ( -1.545 -7.057 2.752) 7.730 7.099 ( -2.015 1.184 -0.986) 2.536 7.099 ( 2.015 1.184 0.986) 2.536 7.269 ( -4.156 0.974 -3.740) 5.675 7.269 ( 4.156 0.974 3.740) 5.675 7.377 ( -2.764 -1.590 -1.347) 3.461 7.377 ( 2.764 -1.590 1.347) 3.461 7.492 ( 0.780 2.614 -2.916) 3.993 7.492 ( -0.780 2.614 2.916) 3.993 7.675 ( -0.933 -4.675 -3.022) 5.644 7.675 ( 0.933 -4.675 3.022) 5.644 7.965 ( 1.985 -1.064 -1.878) 2.932 7.965 ( -1.985 -1.064 1.878) 2.932 8.032 ( -0.086 1.313 -3.281) 3.535 8.032 ( 0.086 1.313 3.281) 3.535 8.341 ( 2.360 -2.254 -3.034) 4.456 8.341 ( -2.360 -2.254 3.034) 4.456 8.511 ( -0.495 -2.852 -1.607) 3.311 8.511 ( 0.495 -2.852 1.607) 3.311 8.751 ( -0.315 -3.872 -3.817) 5.447 8.751 ( 0.315 -3.872 3.817) 5.447 8.835 ( -0.102 -1.287 -1.098) 1.695 8.835 ( 0.102 -1.287 1.098) 1.695 9.058 ( 2.841 -5.059 -3.229) 6.640 9.058 ( -2.841 -5.059 3.229) 6.640 9.204 ( 0.098 -7.730 -5.533) 9.507 9.204 ( -0.098 -7.730 5.533) 9.507 9.381 ( -1.568 -3.557 -1.199) 4.068 9.381 ( 1.568 -3.557 1.199) 4.068 9.504 ( 0.422 -6.253 -0.342) 6.276 9.504 ( -0.422 -6.253 0.342) 6.276 9.856 ( 0.525 -0.010 -1.831) 1.905 9.856 ( -0.525 -0.010 1.831) 1.905 9.927 ( 1.116 -0.404 -2.060) 2.377 9.927 ( -1.116 -0.404 2.060) 2.377 10.935 ( -1.296 2.675 -1.835) 3.493 10.935 ( 1.296 2.675 1.835) 3.493 11.024 ( 0.342 -1.753 -0.418) 1.835 11.024 ( -0.342 -1.753 0.418) 1.835 11.160 ( 0.437 1.445 -2.357) 2.799 11.160 ( -0.437 1.445 2.357) 2.799 11.219 ( -0.402 -1.976 -1.494) 2.509 11.219 ( 0.402 -1.976 1.494) 2.509 11.889 ( -1.098 13.751 -3.476) 14.226 11.889 ( 1.098 13.751 3.476) 14.226 12.196 ( 0.013 -1.236 -4.028) 4.213 12.196 ( -0.013 -1.236 4.028) 4.213 12.390 ( 2.454 3.177 -10.719) 11.446 12.390 ( -2.454 3.177 10.719) 11.446 12.465 ( 1.064 0.672 -2.888) 3.150 12.465 ( -1.064 0.672 2.888) 3.150 14.454 ( -0.172 4.841 -1.368) 5.033 14.454 ( 0.172 4.841 1.368) 5.033 14.587 ( 0.583 3.215 -2.611) 4.183 14.587 ( -0.583 3.215 2.611) 4.183 14.710 ( -0.073 1.669 -1.012) 1.953 14.710 ( 0.073 1.669 1.012) 1.953 14.857 ( -0.422 -1.273 -3.219) 3.487 14.857 ( 0.422 -1.273 3.219) 3.487 15.356 ( -3.694 4.878 -2.479) 6.602 15.356 ( 3.694 4.878 2.479) 6.602 15.439 ( -0.808 0.005 -2.426) 2.557 15.439 ( 0.808 0.005 2.426) 2.557 15.685 ( -0.901 1.935 -3.190) 3.838 15.685 ( 0.901 1.935 3.190) 3.838 15.785 ( -3.405 1.159 -2.975) 4.668 15.785 ( 3.405 1.159 2.975) 4.668 16.769 ( -7.609 10.647 -4.002) 13.685 16.769 ( 7.609 10.647 4.002) 13.685 17.266 ( -3.382 -6.735 -5.665) 9.428 17.266 ( 3.382 -6.735 5.665) 9.428 17.561 ( -1.361 2.331 -3.709) 4.587 17.561 ( 1.361 2.331 3.709) 4.587 17.756 ( -5.303 -1.233 -5.772) 7.935 17.756 ( 5.303 -1.233 5.772) 7.935 18.281 ( -1.727 2.689 -1.688) 3.615 18.281 ( 1.727 2.689 1.688) 3.615 18.336 ( -1.127 2.183 -0.151) 2.462 18.336 ( 1.127 2.183 0.151) 2.462 18.600 ( 0.128 -2.099 -1.521) 2.595 18.600 ( -0.128 -2.099 1.521) 2.595 18.624 ( -1.143 -3.154 -0.962) 3.490 18.624 ( 1.143 -3.154 0.962) 3.490 21.736 ( -0.860 0.809 -0.961) 1.522 21.736 ( 0.860 0.809 0.961) 1.522 21.821 ( -1.339 -0.299 -1.529) 2.054 21.821 ( 1.339 -0.299 1.529) 2.054 22.291 ( -0.660 1.183 -0.724) 1.536 22.291 ( 0.660 1.183 0.724) 1.536 22.373 ( -1.127 -2.347 -1.049) 2.807 22.373 ( 1.127 -2.347 1.049) 2.807 22.474 ( -3.139 -1.612 0.203) 3.535 22.474 ( 3.139 -1.612 -0.203) 3.535 22.952 ( -1.573 -0.104 -0.722) 1.734 22.952 ( 1.573 -0.104 0.722) 1.734 23.025 ( -2.453 -3.454 -0.573) 4.275 23.025 ( 2.453 -3.454 0.573) 4.275 23.148 ( 0.216 -1.941 -0.667) 2.064 23.148 ( -0.216 -1.941 0.667) 2.064 ======================= Grid point 136 (62/66) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -1.580 16.459 -0.137) 16.535 1.939 ( -1.748 14.990 -1.014) 15.126 2.019 ( 2.957 17.081 -2.744) 17.551 2.155 ( 3.357 12.460 1.651) 13.009 2.187 ( -2.128 17.837 -3.375) 18.278 2.290 ( 0.559 18.493 4.160) 18.963 2.470 ( -5.918 8.471 -0.880) 10.371 2.578 ( 1.860 -4.115 -1.984) 4.933 2.592 ( -2.046 -4.597 0.535) 5.060 2.662 ( -0.367 -5.290 -1.261) 5.450 2.766 ( 1.848 6.835 1.326) 7.204 2.786 ( -2.858 1.356 1.638) 3.562 2.825 ( 2.024 -4.518 -0.708) 5.001 2.879 ( 0.251 -3.435 -0.544) 3.486 2.983 ( 1.854 4.581 1.658) 5.213 3.021 ( 1.106 -2.472 1.778) 3.240 3.048 ( -0.063 -4.263 1.749) 4.608 3.121 ( 1.343 -2.259 -0.745) 2.732 3.283 ( -3.233 -7.771 3.945) 9.296 3.311 ( -1.133 -5.522 -2.564) 6.193 3.404 ( 1.520 0.991 1.205) 2.179 3.455 ( 1.554 -0.592 1.710) 2.386 3.489 ( -2.024 -1.657 -1.620) 3.077 3.615 ( 2.648 -5.896 -0.565) 6.488 3.779 ( -3.156 -2.616 -2.753) 4.938 3.862 ( -3.249 -4.922 -0.400) 5.912 3.951 ( 3.660 3.072 -4.576) 6.616 4.050 ( 2.300 -1.006 -1.153) 2.763 4.118 ( -1.131 -3.268 4.263) 5.489 4.207 ( 2.555 -3.795 3.646) 5.850 4.350 ( -2.739 -4.867 -2.304) 6.041 4.523 ( -5.256 -4.907 -0.773) 7.233 4.552 ( 0.472 -4.583 -2.185) 5.099 4.608 ( -0.937 -5.457 -0.574) 5.566 4.728 ( -3.178 -7.462 3.600) 8.874 4.794 ( -9.785 0.976 -1.561) 9.957 4.820 ( -0.488 -2.329 -1.637) 2.888 4.992 ( -1.131 2.816 -0.041) 3.035 5.002 ( -2.918 -4.741 -0.815) 5.627 5.073 ( 4.970 6.122 0.711) 7.918 5.175 ( 3.621 0.511 4.581) 5.862 5.223 ( 2.067 -4.179 1.204) 4.815 5.239 ( 4.504 2.515 -2.211) 5.612 5.302 ( 1.817 6.514 1.298) 6.886 5.324 ( 1.313 17.150 -0.566) 17.210 5.418 ( 1.363 8.236 1.083) 8.418 5.450 ( 2.089 6.251 1.151) 6.690 5.469 ( -0.290 8.373 0.873) 8.423 5.529 ( 4.449 10.738 -3.044) 12.015 5.646 ( -0.082 -0.643 -0.265) 0.700 5.738 ( 1.800 3.327 -0.395) 3.804 5.805 ( -1.819 -0.518 -5.313) 5.640 5.875 ( 1.129 4.173 0.966) 4.430 5.931 ( -1.683 1.755 2.574) 3.541 6.065 ( 0.434 -0.914 -1.543) 1.845 6.082 ( 3.042 3.258 0.531) 4.488 6.226 ( -3.059 -5.461 2.830) 6.869 6.264 ( -0.467 2.832 -2.634) 3.896 6.349 ( 1.856 -2.749 1.227) 3.537 6.452 ( 3.233 -2.378 2.450) 4.702 6.498 ( -1.751 0.056 -2.715) 3.231 6.537 ( -2.849 0.165 1.897) 3.427 6.663 ( 1.850 -1.545 0.884) 2.567 6.689 ( -1.629 2.602 -1.377) 3.365 6.714 ( -3.099 4.846 3.709) 6.844 6.770 ( -0.432 -0.303 3.113) 3.158 6.848 ( -1.236 -3.136 -1.189) 3.574 6.907 ( -1.090 -3.811 -3.390) 5.215 6.988 ( -1.369 -2.705 1.769) 3.510 7.023 ( -1.978 0.499 -4.637) 5.066 7.087 ( -0.863 -4.728 -4.625) 6.670 7.093 ( -2.660 0.038 -0.337) 2.681 7.198 ( 2.630 -4.278 1.228) 5.170 7.284 ( -0.937 -5.669 -1.897) 6.051 7.384 ( 1.463 1.436 2.639) 3.342 7.438 ( 2.793 -0.861 0.859) 3.046 7.476 ( 0.941 1.956 1.303) 2.532 7.566 ( 3.400 1.452 -0.786) 3.780 7.651 ( 0.132 -3.514 0.808) 3.608 7.729 ( 2.212 -3.333 2.898) 4.940 7.908 ( -3.240 1.546 0.586) 3.637 7.960 ( -2.207 -1.236 -1.287) 2.838 8.035 ( 0.494 -0.723 -1.596) 1.820 8.047 ( 0.292 1.459 1.256) 1.947 8.322 ( 0.000 -1.600 2.074) 2.619 8.391 ( 3.116 0.631 -3.841) 4.986 8.483 ( -1.101 -2.641 0.349) 2.883 8.538 ( 0.889 -2.346 0.338) 2.531 8.735 ( 0.974 -4.946 -4.083) 6.487 8.776 ( 1.289 -4.437 1.354) 4.815 8.784 ( -2.148 -1.172 1.838) 3.060 8.887 ( 2.084 -0.957 -1.360) 2.666 9.002 ( -3.352 -4.335 3.455) 6.478 9.100 ( -5.842 -5.701 -0.530) 8.180 9.121 ( 2.446 -7.747 -1.737) 8.307 9.200 ( -2.546 -7.638 1.235) 8.146 9.367 ( 0.399 -6.795 -2.683) 7.316 9.411 ( -1.224 -7.733 1.556) 7.983 9.485 ( 2.331 -2.284 0.723) 3.343 9.554 ( 2.005 -5.280 0.237) 5.653 9.844 ( -0.357 0.981 0.398) 1.118 9.869 ( 0.202 0.744 -0.471) 0.904 9.925 ( 0.097 -1.052 2.134) 2.381 9.943 ( 1.320 -1.037 -2.185) 2.755 10.912 ( -0.262 3.540 -1.152) 3.732 10.967 ( 0.675 1.109 1.111) 1.708 11.001 ( -1.007 -0.051 0.949) 1.385 11.034 ( 0.247 -1.627 -1.180) 2.025 11.132 ( -1.072 1.722 0.544) 2.100 11.181 ( -0.858 -0.524 -0.294) 1.048 11.206 ( 1.377 -0.168 0.172) 1.398 11.244 ( 0.886 -2.046 0.366) 2.259 11.891 ( 3.481 13.010 -3.960) 14.037 11.969 ( 5.058 11.774 2.444) 13.046 12.166 ( -1.993 0.204 1.093) 2.282 12.237 ( 1.868 -0.957 2.141) 2.998 12.344 ( -2.988 4.241 -3.786) 6.423 12.381 ( -1.859 2.686 1.768) 3.714 12.433 ( -2.732 1.135 1.771) 3.448 12.462 ( -0.664 0.208 -1.938) 2.059 14.442 ( -0.267 4.695 -0.810) 4.772 14.458 ( -0.320 4.556 0.689) 4.619 14.584 ( 0.354 3.012 -2.829) 4.147 14.588 ( -0.618 3.326 2.771) 4.373 14.703 ( 0.119 1.931 0.532) 2.006 14.740 ( 1.865 2.019 0.057) 2.749 14.824 ( -1.099 -0.983 -1.962) 2.454 14.877 ( -0.126 -1.688 1.598) 2.328 15.293 ( -1.889 4.984 -0.387) 5.344 15.384 ( -2.486 -0.560 -0.121) 2.551 15.419 ( -1.807 3.479 -0.517) 3.954 15.424 ( -0.634 2.446 0.772) 2.643 15.664 ( 0.362 2.859 0.075) 2.883 15.714 ( 3.122 -0.237 0.788) 3.229 15.785 ( 2.309 4.366 -0.348) 4.951 15.882 ( 3.749 -1.249 -0.212) 3.957 16.666 ( -1.087 13.452 0.219) 13.497 16.950 ( 9.091 5.866 2.947) 11.213 17.176 ( -3.994 -2.616 -6.812) 8.319 17.331 ( -1.048 -3.167 4.345) 5.478 17.470 ( -5.134 -0.416 -3.733) 6.361 17.535 ( -1.970 -2.407 -2.059) 3.731 17.655 ( -2.525 4.738 1.744) 5.645 17.841 ( -0.604 -4.775 4.062) 6.298 18.238 ( -1.000 4.162 -0.372) 4.297 18.304 ( -1.392 3.707 -0.359) 3.975 18.337 ( 1.994 -0.440 0.338) 2.070 18.358 ( 1.225 2.155 0.016) 2.478 18.591 ( -1.271 -2.169 -0.416) 2.548 18.592 ( -0.370 -0.977 -0.870) 1.360 18.621 ( 1.001 -2.614 0.793) 2.909 18.649 ( 0.895 -3.525 0.495) 3.671 21.722 ( -0.019 1.626 -0.922) 1.869 21.759 ( 1.305 -0.392 0.146) 1.370 21.788 ( -1.141 1.583 -0.131) 1.956 21.859 ( 1.056 -2.293 0.419) 2.559 22.236 ( -2.651 1.078 0.521) 2.909 22.308 ( -3.741 -2.900 0.160) 4.736 22.332 ( 1.819 1.650 -1.165) 2.718 22.406 ( -1.819 2.044 0.685) 2.821 22.432 ( 1.733 -3.361 0.366) 3.799 22.522 ( 1.152 -4.185 -0.242) 4.347 22.928 ( -0.570 -0.656 -0.267) 0.910 22.970 ( -1.631 -2.670 -0.173) 3.134 23.012 ( 2.789 -0.416 0.406) 2.849 23.076 ( 2.198 -3.520 0.478) 4.177 23.149 ( 0.101 -1.850 0.084) 1.854 23.152 ( 0.461 -2.009 -0.641) 2.159 ======================= Grid point 137 (63/66) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.805 16.519 -0.400) 16.544 1.884 ( -2.821 16.055 -0.266) 16.303 2.086 ( 4.238 14.528 -1.135) 15.177 2.150 ( -1.502 11.171 -3.628) 11.841 2.196 ( 2.302 19.919 2.483) 20.205 2.287 ( -4.811 17.495 -1.269) 18.189 2.414 ( 2.932 8.604 5.371) 10.558 2.527 ( -4.960 1.721 -2.254) 5.713 2.609 ( 0.920 -3.468 0.084) 3.589 2.629 ( -1.139 -4.685 -1.865) 5.170 2.763 ( 2.419 0.337 -1.349) 2.790 2.801 ( -1.223 0.454 3.772) 3.992 2.874 ( 3.177 -4.310 -2.297) 5.827 2.901 ( 0.323 -4.050 1.152) 4.224 3.006 ( -0.312 -2.541 2.284) 3.431 3.033 ( -1.915 -5.299 2.299) 6.085 3.069 ( 3.090 3.640 -0.166) 4.778 3.130 ( -0.233 0.049 -1.960) 1.975 3.207 ( -3.224 -2.941 2.603) 5.081 3.245 ( -3.238 -2.596 -3.737) 5.585 3.465 ( 0.410 -0.747 1.307) 1.560 3.476 ( 1.618 -0.515 0.069) 1.699 3.505 ( 4.557 -2.640 2.815) 5.971 3.636 ( -4.039 -6.204 -2.547) 7.829 3.733 ( 1.971 -3.784 -0.117) 4.268 3.793 ( -3.091 -4.939 -1.235) 5.956 4.036 ( 6.741 -1.395 -5.207) 8.632 4.095 ( 0.505 -0.910 1.491) 1.819 4.113 ( 2.091 -1.103 3.487) 4.213 4.254 ( -1.540 -6.345 1.255) 6.649 4.321 ( -1.215 0.094 -2.445) 2.732 4.337 ( -8.288 4.220 1.008) 9.355 4.532 ( 2.382 -8.954 -1.621) 9.406 4.618 ( -6.608 -5.209 2.533) 8.787 4.678 ( 1.735 -8.109 0.066) 8.293 4.698 ( -0.980 -2.520 -2.037) 3.386 4.828 ( 1.845 -2.759 0.524) 3.360 4.892 ( -4.659 -7.318 0.238) 8.679 5.020 ( 2.621 -1.003 -1.650) 3.255 5.106 ( -6.107 -3.514 -1.091) 7.130 5.194 ( 5.373 6.368 -1.551) 8.475 5.252 ( -2.041 6.991 5.414) 9.075 5.308 ( 4.117 4.727 0.626) 6.300 5.342 ( 2.475 9.425 -2.593) 10.083 5.382 ( -0.370 14.960 1.973) 15.094 5.407 ( -2.362 7.478 4.183) 8.888 5.483 ( 4.518 5.337 -3.252) 7.712 5.549 ( -0.348 -0.897 2.199) 2.400 5.627 ( 8.015 4.433 0.450) 9.170 5.660 ( 3.733 3.773 -1.569) 5.535 5.741 ( 0.527 3.370 -4.984) 6.040 5.763 ( -3.462 -0.052 -1.741) 3.876 5.862 ( -0.582 6.296 -3.120) 7.051 5.922 ( -4.980 6.544 7.296) 10.993 6.056 ( 3.765 -0.252 1.104) 3.931 6.152 ( 3.176 1.213 -4.941) 5.998 6.162 ( -4.329 -2.996 1.052) 5.369 6.216 ( -3.572 -0.753 1.503) 3.947 6.413 ( 3.759 -1.071 0.687) 3.968 6.462 ( -0.638 -1.781 -1.251) 2.268 6.485 ( 1.158 5.608 4.913) 7.545 6.573 ( -2.581 5.281 -5.518) 8.062 6.583 ( 0.434 1.552 2.771) 3.206 6.650 ( -4.446 0.382 1.172) 4.614 6.757 ( 0.686 -4.986 6.217) 7.999 6.767 ( 3.206 -1.492 -0.380) 3.556 6.817 ( -1.054 -1.753 -3.310) 3.891 6.867 ( -2.719 -2.870 -1.391) 4.191 6.956 ( -1.110 -1.861 -3.912) 4.472 6.970 ( -2.111 -3.620 -2.067) 4.672 7.042 ( 0.732 -3.335 1.085) 3.583 7.066 ( -0.609 -1.174 -0.371) 1.373 7.272 ( 1.574 -6.141 -2.378) 6.771 7.281 ( 0.523 -6.643 2.855) 7.250 7.415 ( 2.318 -0.607 0.692) 2.494 7.461 ( -1.146 -2.754 0.542) 3.031 7.532 ( 3.441 2.141 0.832) 4.137 7.580 ( -1.077 0.187 -0.240) 1.120 7.698 ( 3.787 -0.714 -0.130) 3.855 7.757 ( -1.401 -2.478 1.208) 3.092 7.865 ( -0.316 1.937 0.691) 2.081 7.904 ( -2.957 0.312 -0.692) 3.053 8.028 ( 0.208 -0.237 -1.071) 1.116 8.042 ( -1.283 -0.262 0.900) 1.589 8.353 ( 1.854 0.662 1.729) 2.620 8.391 ( -0.956 1.958 -2.928) 3.650 8.500 ( 2.415 -1.243 -0.423) 2.749 8.537 ( -1.294 -0.857 0.519) 1.636 8.751 ( 1.796 -4.561 -2.363) 5.442 8.766 ( -0.730 -3.594 1.263) 3.878 8.827 ( 3.125 -3.377 1.689) 4.902 8.887 ( -1.576 -1.441 -1.767) 2.772 8.969 ( -1.202 -4.613 2.332) 5.307 8.995 ( -3.674 -5.088 -0.671) 6.312 9.147 ( 0.624 -9.751 -0.807) 9.805 9.160 ( -1.515 -8.832 0.398) 8.970 9.366 ( 0.664 -7.941 -1.319) 8.077 9.383 ( -1.662 -8.482 1.263) 8.735 9.545 ( 2.746 -2.745 -0.440) 3.907 9.572 ( -0.422 -4.031 0.713) 4.115 9.847 ( 0.495 2.010 0.297) 2.091 9.860 ( -0.663 2.026 -0.273) 2.149 9.943 ( 0.371 -1.893 2.523) 3.176 9.952 ( 0.672 -1.713 -2.597) 3.183 10.917 ( 1.085 3.418 -0.211) 3.593 10.947 ( -1.846 1.880 -0.308) 2.652 11.014 ( 0.599 0.039 2.057) 2.143 11.028 ( -0.052 -1.015 -1.792) 2.061 11.129 ( 0.616 1.578 0.335) 1.727 11.153 ( -1.632 0.423 0.133) 1.691 11.237 ( 1.399 -0.754 -0.150) 1.596 11.252 ( -0.206 -1.679 0.252) 1.710 11.974 ( 6.965 9.263 -5.315) 12.750 12.057 ( -0.642 6.205 3.062) 6.949 12.139 ( 0.330 7.368 6.813) 10.040 12.236 ( -3.908 5.786 -5.126) 8.661 12.298 ( 2.214 0.943 -1.385) 2.776 12.346 ( -2.697 0.937 1.141) 3.075 12.403 ( -0.754 0.992 3.256) 3.486 12.429 ( -1.391 0.098 -2.735) 3.070 14.441 ( 0.402 4.474 -0.362) 4.507 14.451 ( -0.650 4.381 0.266) 4.437 14.580 ( 0.673 2.705 -2.744) 3.911 14.585 ( -1.053 2.860 2.742) 4.100 14.720 ( 1.228 2.629 1.356) 3.203 14.751 ( -0.874 3.110 -1.350) 3.501 14.823 ( 1.994 -1.661 -0.744) 2.699 14.862 ( -1.931 -1.645 0.783) 2.655 15.286 ( 0.901 4.670 1.522) 4.994 15.336 ( -3.362 4.039 -2.101) 5.660 15.369 ( 0.536 0.302 0.600) 0.859 15.403 ( -2.171 0.556 -0.814) 2.385 15.724 ( 4.041 4.696 2.668) 6.745 15.781 ( 0.009 2.267 2.543) 3.407 15.814 ( 3.115 1.898 -1.543) 3.960 15.886 ( -2.154 -0.677 -3.449) 4.122 16.755 ( 8.381 11.589 7.031) 15.937 16.990 ( -10.604 5.374 -9.931) 15.490 17.119 ( 7.513 1.504 0.279) 7.667 17.257 ( -6.825 -1.363 -0.128) 6.961 17.428 ( 2.949 0.738 3.170) 4.392 17.523 ( -3.489 1.153 -0.523) 3.712 17.661 ( 4.404 -2.823 0.588) 5.264 17.777 ( -6.190 -5.374 0.334) 8.204 18.243 ( 1.072 4.355 0.645) 4.531 18.272 ( -1.548 3.980 -0.783) 4.341 18.367 ( 0.989 -0.624 0.507) 1.275 18.376 ( 0.397 0.661 -0.257) 0.813 18.573 ( -0.223 -0.476 -0.284) 0.597 18.579 ( -0.619 0.011 -0.319) 0.697 18.645 ( 0.965 -3.051 0.659) 3.267 18.658 ( -0.079 -3.399 -0.114) 3.401 21.731 ( 1.173 1.898 0.059) 2.232 21.758 ( -1.196 1.413 -0.713) 1.984 21.802 ( 2.259 -0.683 0.792) 2.489 21.850 ( -1.904 -2.292 -0.525) 3.025 22.215 ( 0.368 -0.107 0.428) 0.574 22.246 ( -2.632 -1.924 -0.014) 3.261 22.354 ( 1.329 1.813 -1.655) 2.791 22.374 ( -1.725 1.842 1.623) 3.001 22.478 ( 2.358 -3.496 0.202) 4.222 22.516 ( -1.356 -4.433 -0.301) 4.646 22.925 ( 0.329 -1.491 0.030) 1.527 22.940 ( -1.165 -2.250 -0.208) 2.542 23.071 ( 2.614 -1.148 0.442) 2.889 23.100 ( -0.154 -2.601 0.224) 2.615 23.152 ( 0.344 -1.927 -0.420) 2.002 23.156 ( 0.022 -2.114 -0.113) 2.118 ======================= Grid point 140 (64/66) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 0.000 0.000 -0.000) 0.000 2.171 ( -0.000 0.000 0.000) 0.000 2.190 ( -0.000 -0.000 0.000) 0.000 2.190 ( 0.000 -0.000 0.000) 0.000 2.375 ( 0.000 0.000 -0.000) 0.000 2.375 ( 0.000 0.000 -0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.555 ( -0.000 0.000 0.000) 0.000 2.660 ( -0.000 -0.000 -0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 -0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.957 ( -0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 3.079 ( -0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 -0.000 -0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.450 ( -0.000 -0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.484 ( -0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.848 ( -0.000 0.000 -0.000) 0.000 3.848 ( -0.000 0.000 0.000) 0.000 3.963 ( -0.000 -0.000 -0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 4.174 ( -0.000 -0.000 0.000) 0.000 4.174 ( -0.000 -0.000 0.000) 0.000 4.269 ( -0.000 0.000 -0.000) 0.000 4.269 ( 0.000 0.000 -0.000) 0.000 4.669 ( 0.000 -0.000 -0.000) 0.000 4.669 ( -0.000 0.000 0.000) 0.000 4.670 ( -0.000 -0.000 0.000) 0.000 4.670 ( 0.000 0.000 -0.000) 0.000 5.037 ( 0.000 -0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.069 ( -0.000 -0.000 -0.000) 0.000 5.069 ( 0.000 0.000 -0.000) 0.000 5.110 ( -0.000 0.000 0.000) 0.000 5.110 ( -0.000 -0.000 0.000) 0.000 5.155 ( -0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.604 ( -0.000 0.000 0.000) 0.000 5.604 ( -0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.692 ( -0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 -0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.976 ( -0.000 -0.000 -0.000) 0.000 5.976 ( -0.000 0.000 0.000) 0.000 5.980 ( 0.000 -0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 6.286 ( -0.000 -0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 -0.000 -0.000) 0.000 6.322 ( 0.000 0.000 -0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.671 ( -0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 -0.000) 0.000 6.772 ( -0.000 -0.000 0.000) 0.000 6.772 ( 0.000 0.000 0.000) 0.000 6.904 ( 0.000 0.000 -0.000) 0.000 6.904 ( 0.000 0.000 0.000) 0.000 6.931 ( -0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 7.119 ( -0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 -0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.367 ( -0.000 0.000 -0.000) 0.000 7.367 ( -0.000 0.000 0.000) 0.000 7.529 ( 0.000 0.000 0.000) 0.000 7.529 ( -0.000 0.000 0.000) 0.000 7.612 ( -0.000 -0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 7.966 ( 0.000 -0.000 0.000) 0.000 7.966 ( 0.000 0.000 0.000) 0.000 8.053 ( 0.000 0.000 -0.000) 0.000 8.053 ( -0.000 0.000 0.000) 0.000 8.305 ( 0.000 0.000 -0.000) 0.000 8.305 ( -0.000 0.000 0.000) 0.000 8.466 ( 0.000 0.000 0.000) 0.000 8.466 ( 0.000 0.000 0.000) 0.000 8.716 ( -0.000 0.000 0.000) 0.000 8.716 ( -0.000 0.000 0.000) 0.000 8.819 ( -0.000 0.000 0.000) 0.000 8.819 ( 0.000 0.000 0.000) 0.000 9.046 ( 0.000 -0.000 0.000) 0.000 9.046 ( 0.000 0.000 0.000) 0.000 9.087 ( -0.000 -0.000 -0.000) 0.000 9.087 ( -0.000 0.000 0.000) 0.000 9.360 ( -0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 9.442 ( -0.000 0.000 0.000) 0.000 9.442 ( -0.000 0.000 0.000) 0.000 9.860 ( -0.000 0.000 0.000) 0.000 9.860 ( -0.000 0.000 0.000) 0.000 9.923 ( -0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 0.000) 0.000 10.972 ( 0.000 0.000 0.000) 0.000 10.972 ( 0.000 0.000 0.000) 0.000 10.996 ( -0.000 -0.000 -0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 11.183 ( 0.000 -0.000 -0.000) 0.000 11.183 ( 0.000 0.000 -0.000) 0.000 11.188 ( -0.000 0.000 0.000) 0.000 11.188 ( -0.000 -0.000 0.000) 0.000 12.045 ( 0.000 -0.000 0.000) 0.000 12.045 ( 0.000 0.000 0.000) 0.000 12.160 ( -0.000 0.000 0.000) 0.000 12.160 ( -0.000 0.000 0.000) 0.000 12.420 ( 0.000 0.000 -0.000) 0.000 12.420 ( 0.000 0.000 -0.000) 0.000 12.470 ( -0.000 0.000 0.000) 0.000 12.470 ( -0.000 0.000 0.000) 0.000 14.505 ( 0.000 -0.000 0.000) 0.000 14.505 ( 0.000 0.000 0.000) 0.000 14.614 ( 0.000 0.000 0.000) 0.000 14.614 ( 0.000 0.000 0.000) 0.000 14.736 ( -0.000 0.000 0.000) 0.000 14.736 ( 0.000 0.000 0.000) 0.000 14.837 ( -0.000 0.000 0.000) 0.000 14.837 ( 0.000 0.000 -0.000) 0.000 15.402 ( -0.000 0.000 0.000) 0.000 15.402 ( 0.000 0.000 0.000) 0.000 15.435 ( -0.000 0.000 0.000) 0.000 15.435 ( 0.000 0.000 0.000) 0.000 15.704 ( 0.000 0.000 0.000) 0.000 15.704 ( 0.000 0.000 0.000) 0.000 15.794 ( -0.000 0.000 -0.000) 0.000 15.794 ( 0.000 0.000 0.000) 0.000 16.927 ( -0.000 0.000 0.000) 0.000 16.927 ( 0.000 0.000 0.000) 0.000 17.153 ( -0.000 0.000 0.000) 0.000 17.153 ( 0.000 0.000 0.000) 0.000 17.586 ( -0.000 0.000 0.000) 0.000 17.586 ( 0.000 0.000 0.000) 0.000 17.742 ( -0.000 0.000 -0.000) 0.000 17.742 ( 0.000 0.000 0.000) 0.000 18.308 ( 0.000 0.000 0.000) 0.000 18.308 ( 0.000 0.000 0.000) 0.000 18.364 ( -0.000 0.000 0.000) 0.000 18.364 ( 0.000 0.000 0.000) 0.000 18.578 ( -0.000 0.000 -0.000) 0.000 18.578 ( 0.000 -0.000 0.000) 0.000 18.587 ( -0.000 0.000 -0.000) 0.000 18.587 ( 0.000 0.000 -0.000) 0.000 21.745 ( -0.000 0.000 -0.000) 0.000 21.745 ( 0.000 0.000 0.000) 0.000 21.818 ( -0.000 0.000 0.000) 0.000 21.818 ( -0.000 0.000 0.000) 0.000 22.306 ( -0.000 0.000 0.000) 0.000 22.306 ( 0.000 0.000 0.000) 0.000 22.347 ( 0.000 -0.000 0.000) 0.000 22.347 ( -0.000 0.000 0.000) 0.000 22.459 ( -0.000 0.000 0.000) 0.000 22.459 ( -0.000 0.000 0.000) 0.000 22.958 ( -0.000 0.000 0.000) 0.000 22.958 ( -0.000 0.000 0.000) 0.000 22.984 ( 0.000 0.000 0.000) 0.000 22.984 ( 0.000 0.000 0.000) 0.000 23.129 ( -0.000 0.000 0.000) 0.000 23.129 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 144 (65/66) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -2.709 -5.775 1.248) 6.500 2.126 ( -2.709 5.775 1.248) 6.500 2.222 ( 1.390 -4.984 -1.922) 5.520 2.222 ( 1.390 4.984 -1.922) 5.520 2.402 ( 2.735 -7.230 -0.415) 7.741 2.402 ( 2.735 7.230 -0.415) 7.741 2.558 ( 0.804 -1.952 -2.176) 3.032 2.558 ( 0.804 1.952 -2.176) 3.032 2.616 ( -3.809 -13.148 0.531) 13.699 2.616 ( -3.809 13.148 0.531) 13.699 2.717 ( 0.331 -8.170 -3.073) 8.735 2.717 ( 0.331 8.170 -3.073) 8.735 2.864 ( -2.682 -8.638 6.134) 10.928 2.864 ( -2.682 8.638 6.134) 10.928 2.981 ( 0.904 -7.261 0.641) 7.345 2.981 ( 0.904 7.261 0.641) 7.345 3.091 ( 1.195 -1.924 1.470) 2.701 3.091 ( 1.195 1.924 1.470) 2.701 3.177 ( 1.456 -4.860 -1.134) 5.198 3.177 ( 1.456 4.860 -1.134) 5.198 3.429 ( -0.526 -1.282 0.526) 1.482 3.429 ( -0.526 1.282 0.526) 1.482 3.508 ( 1.740 -3.745 1.133) 4.282 3.508 ( 1.740 3.745 1.133) 4.282 3.779 ( -4.046 -3.073 -3.941) 6.430 3.779 ( -4.046 3.073 -3.941) 6.430 4.039 ( 5.118 -2.100 0.591) 5.564 4.039 ( 5.118 2.100 0.591) 5.564 4.113 ( -3.420 -7.117 0.041) 7.896 4.113 ( -3.420 7.117 0.041) 7.896 4.349 ( 6.212 -9.141 -1.733) 11.187 4.349 ( 6.212 9.141 -1.733) 11.187 4.529 ( -8.651 -3.953 3.825) 10.252 4.529 ( -8.651 3.953 3.825) 10.252 4.708 ( -1.934 -5.336 -3.790) 6.825 4.708 ( -1.934 5.336 -3.790) 6.825 4.893 ( -7.316 -5.381 -1.110) 9.149 4.893 ( -7.316 5.381 -1.110) 9.149 5.095 ( 0.530 -5.989 0.581) 6.041 5.095 ( 0.530 5.989 0.581) 6.041 5.161 ( 2.801 -2.276 6.084) 7.074 5.161 ( 2.801 2.276 6.084) 7.074 5.274 ( 7.498 -3.295 -2.579) 8.586 5.274 ( 7.498 3.295 -2.579) 8.586 5.508 ( -3.248 -4.181 1.210) 5.431 5.508 ( -3.248 4.181 1.210) 5.431 5.569 ( 0.420 -3.693 -1.240) 3.919 5.569 ( 0.420 3.693 -1.240) 3.919 5.735 ( 2.088 -3.742 -0.098) 4.286 5.735 ( 2.088 3.742 -0.098) 4.286 5.806 ( 3.200 -3.950 -1.270) 5.239 5.806 ( 3.200 3.950 -1.270) 5.239 5.938 ( -0.022 -7.483 -1.526) 7.637 5.938 ( -0.022 7.483 -1.526) 7.637 6.031 ( 1.569 -2.487 -0.083) 2.942 6.031 ( 1.569 2.487 -0.083) 2.942 6.254 ( -2.657 -4.664 1.025) 5.465 6.254 ( -2.657 4.664 1.025) 5.465 6.360 ( 3.871 -6.158 -2.705) 7.760 6.360 ( 3.871 6.158 -2.705) 7.760 6.512 ( 0.430 -3.385 6.075) 6.968 6.512 ( 0.430 3.385 6.075) 6.968 6.639 ( -0.959 -4.434 1.524) 4.786 6.639 ( -0.959 4.434 1.524) 4.786 6.783 ( -2.317 -1.617 3.495) 4.494 6.783 ( -2.317 1.617 3.495) 4.494 6.840 ( -1.499 -2.651 -6.071) 6.792 6.840 ( -1.499 2.651 -6.071) 6.792 6.988 ( 0.200 -2.192 0.771) 2.332 6.988 ( 0.200 2.192 0.771) 2.332 7.085 ( -2.610 -1.955 -3.002) 4.432 7.085 ( -2.610 1.955 -3.002) 4.432 7.175 ( -2.506 -2.709 -2.397) 4.400 7.175 ( -2.506 2.709 -2.397) 4.400 7.414 ( 1.784 -1.110 1.256) 2.447 7.414 ( 1.784 1.110 1.256) 2.447 7.528 ( 0.192 -3.206 2.802) 4.262 7.528 ( 0.192 3.206 2.802) 4.262 7.663 ( 3.652 -2.959 -0.026) 4.701 7.663 ( 3.652 2.959 -0.026) 4.701 7.954 ( -1.128 -0.979 -1.454) 2.084 7.954 ( -1.128 0.979 -1.454) 2.084 8.039 ( -1.414 -1.754 1.019) 2.473 8.039 ( -1.414 1.754 1.019) 2.473 8.347 ( 3.675 -4.440 0.676) 5.803 8.347 ( 3.675 4.440 0.676) 5.803 8.469 ( 0.183 -2.969 -0.374) 2.998 8.469 ( 0.183 2.969 -0.374) 2.998 8.700 ( 0.144 -1.592 -2.866) 3.281 8.700 ( 0.144 1.592 -2.866) 3.281 8.832 ( 0.200 -3.999 1.281) 4.204 8.832 ( 0.200 3.999 1.281) 4.204 9.002 ( -3.760 -3.011 2.679) 5.512 9.002 ( -3.760 3.011 2.679) 5.512 9.091 ( -0.304 -3.739 -2.081) 4.290 9.091 ( -0.304 3.739 -2.081) 4.290 9.315 ( -2.575 -1.956 -0.209) 3.241 9.315 ( -2.575 1.956 -0.209) 3.241 9.490 ( 2.950 -1.867 0.598) 3.542 9.490 ( 2.950 1.867 0.598) 3.542 9.869 ( 0.832 -1.084 0.288) 1.396 9.869 ( 0.832 1.084 0.288) 1.396 9.922 ( 0.020 -0.898 -0.396) 0.982 9.922 ( 0.020 0.898 -0.396) 0.982 10.964 ( -0.331 -1.732 -0.544) 1.845 10.964 ( -0.331 1.732 -0.544) 1.845 11.008 ( 0.567 -1.097 0.558) 1.355 11.008 ( 0.567 1.097 0.558) 1.355 11.160 ( -1.077 -1.340 0.484) 1.786 11.160 ( -1.077 1.340 0.484) 1.786 11.213 ( 1.348 -0.977 -0.346) 1.700 11.213 ( 1.348 0.977 -0.346) 1.700 12.059 ( 1.829 -3.783 -1.834) 4.585 12.059 ( 1.829 3.783 -1.834) 4.585 12.186 ( 2.099 -3.551 2.239) 4.694 12.186 ( 2.099 3.551 2.239) 4.694 12.395 ( -2.613 -1.125 0.319) 2.862 12.395 ( -2.613 1.125 0.319) 2.862 12.453 ( -1.451 -0.937 -0.857) 1.928 12.453 ( -1.451 0.937 -0.857) 1.928 14.498 ( -0.440 -0.678 -0.212) 0.836 14.498 ( -0.440 0.678 -0.212) 0.836 14.613 ( -0.356 -0.387 0.283) 0.597 14.613 ( -0.356 0.387 0.283) 0.597 14.746 ( 1.212 -1.929 -0.138) 2.282 14.746 ( 1.212 1.929 -0.138) 2.282 14.834 ( -0.478 -2.323 0.065) 2.373 14.834 ( -0.478 2.323 0.065) 2.373 15.356 ( -2.108 -2.113 0.153) 2.989 15.356 ( -2.108 2.113 0.153) 2.989 15.448 ( -1.407 -0.162 -0.291) 1.446 15.448 ( -1.407 0.162 -0.291) 1.446 15.701 ( 2.298 -1.129 -0.290) 2.577 15.701 ( 2.298 1.129 -0.290) 2.577 15.847 ( 2.768 -2.469 0.563) 3.752 15.847 ( 2.768 2.469 0.563) 3.752 16.915 ( 0.161 -10.387 0.089) 10.389 16.915 ( 0.161 10.387 0.089) 10.389 17.216 ( 3.911 -7.142 1.075) 8.213 17.216 ( 3.911 7.142 1.075) 8.213 17.492 ( -5.432 -2.091 -4.258) 7.212 17.492 ( -5.432 2.091 -4.258) 7.212 17.749 ( -2.012 -4.834 3.165) 6.118 17.749 ( -2.012 4.834 3.165) 6.118 18.305 ( -0.015 -2.578 0.036) 2.578 18.305 ( -0.015 2.578 0.036) 2.578 18.365 ( 0.014 -1.734 -0.214) 1.747 18.365 ( 0.014 1.734 -0.214) 1.747 18.577 ( 0.335 -0.935 -0.444) 1.088 18.577 ( 0.335 0.935 -0.444) 1.088 18.598 ( 0.591 -1.244 0.505) 1.467 18.598 ( 0.591 1.244 0.505) 1.467 21.747 ( 0.454 -0.962 -0.442) 1.152 21.747 ( 0.454 0.962 -0.442) 1.152 21.821 ( -0.045 -1.809 0.297) 1.833 21.821 ( -0.045 1.809 0.297) 1.833 22.262 ( -2.953 -1.747 0.452) 3.461 22.262 ( -2.953 1.747 0.452) 3.461 22.376 ( 1.567 -2.558 -0.704) 3.081 22.376 ( 1.567 2.558 -0.704) 3.081 22.454 ( -0.426 -2.955 0.342) 3.005 22.454 ( -0.426 2.955 0.342) 3.005 22.931 ( -1.379 -1.118 -0.074) 1.776 22.931 ( -1.379 1.118 -0.074) 1.776 23.025 ( 2.686 -1.707 0.316) 3.198 23.025 ( 2.686 1.707 0.316) 3.198 23.131 ( 0.271 -0.072 -0.245) 0.373 23.131 ( 0.271 0.072 -0.245) 0.373 ======================= Grid point 146 (66/66) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -1.051 -2.292 0.314) 2.541 2.093 ( -1.052 2.292 0.314) 2.541 2.228 ( 0.182 -1.609 -0.665) 1.750 2.228 ( 0.182 1.609 -0.665) 1.750 2.448 ( 1.686 -5.016 -0.149) 5.294 2.448 ( 1.686 5.016 -0.149) 5.294 2.538 ( -1.568 -3.939 -1.421) 4.472 2.538 ( -1.568 3.939 -1.421) 4.472 2.593 ( 1.563 -3.759 -2.016) 4.543 2.593 ( 1.563 3.759 -2.016) 4.543 2.711 ( -1.293 -2.632 1.957) 3.525 2.711 ( -1.293 2.632 1.957) 3.525 2.861 ( 1.651 -7.332 4.205) 8.612 2.861 ( 1.651 7.332 4.205) 8.612 2.950 ( -4.360 -6.384 -1.227) 7.828 2.950 ( -4.360 6.384 -1.227) 7.828 3.135 ( 2.692 -2.346 -0.728) 3.644 3.135 ( 2.692 2.346 -0.728) 3.644 3.175 ( -0.611 -2.493 -0.283) 2.582 3.175 ( -0.611 2.493 -0.283) 2.582 3.457 ( 2.071 -0.519 2.731) 3.466 3.457 ( 2.071 0.519 2.731) 3.466 3.526 ( -1.077 -3.883 -1.480) 4.293 3.526 ( -1.077 3.883 -1.480) 4.293 3.716 ( -0.572 -2.316 -1.108) 2.630 3.716 ( -0.572 2.316 -1.108) 2.630 4.047 ( -1.417 -3.071 -0.266) 3.393 4.047 ( -1.417 3.071 -0.266) 3.393 4.155 ( 4.553 -3.813 0.161) 5.941 4.155 ( 4.553 3.813 0.161) 5.941 4.376 ( -5.450 -1.435 -1.226) 5.767 4.376 ( -5.450 1.435 -1.226) 5.767 4.463 ( 3.378 -6.231 0.963) 7.153 4.463 ( 3.378 6.231 0.963) 7.153 4.621 ( -4.164 -5.103 0.164) 6.588 4.621 ( -4.164 5.103 0.164) 6.588 4.820 ( -0.722 -2.132 -1.362) 2.630 4.820 ( -0.722 2.132 -1.362) 2.630 5.027 ( -4.052 -2.899 -0.314) 4.993 5.027 ( -4.052 2.899 -0.314) 4.993 5.273 ( 4.250 -2.621 5.007) 7.071 5.273 ( 4.250 2.621 5.007) 7.071 5.362 ( 0.653 -3.109 -3.408) 4.659 5.362 ( 0.653 3.109 -3.408) 4.659 5.492 ( 3.330 -2.269 2.959) 4.999 5.492 ( 3.330 2.269 2.959) 4.999 5.594 ( -1.324 -1.311 -2.055) 2.774 5.594 ( -1.324 1.311 -2.055) 2.774 5.749 ( 2.142 -2.006 -0.863) 3.059 5.749 ( 2.142 2.006 -0.863) 3.059 5.849 ( 1.099 -8.425 -0.837) 8.538 5.849 ( 1.099 8.425 -0.837) 8.538 5.945 ( 0.323 -8.352 -1.210) 8.445 5.945 ( 0.323 8.352 -1.210) 8.445 6.009 ( -2.915 -1.845 1.425) 3.733 6.009 ( -2.915 1.845 1.425) 3.733 6.241 ( 1.063 -1.123 -0.158) 1.555 6.241 ( 1.063 1.123 -0.158) 1.555 6.426 ( 3.489 -2.357 -1.834) 4.593 6.426 ( 3.489 2.357 -1.834) 4.593 6.545 ( -0.376 -3.139 5.071) 5.976 6.545 ( -0.376 3.139 5.071) 5.976 6.638 ( -0.315 -2.974 0.428) 3.021 6.638 ( -0.315 2.974 0.428) 3.021 6.727 ( -3.359 -1.589 2.854) 4.685 6.727 ( -3.359 1.589 2.854) 4.685 6.797 ( -0.514 -1.203 -5.399) 5.555 6.797 ( -0.514 1.203 -5.399) 5.555 6.942 ( -1.861 -1.591 1.261) 2.754 6.942 ( -1.861 1.591 1.261) 2.754 7.021 ( -2.015 -2.716 -2.785) 4.381 7.021 ( -2.015 2.716 -2.785) 4.381 7.202 ( 2.626 -0.971 0.005) 2.800 7.202 ( 2.626 0.971 0.005) 2.800 7.425 ( -0.439 -1.168 0.394) 1.309 7.425 ( -0.439 1.168 0.394) 1.309 7.563 ( 1.549 -1.298 1.466) 2.497 7.563 ( 1.549 1.298 1.466) 2.497 7.711 ( 1.211 -1.710 -0.287) 2.115 7.711 ( 1.211 1.710 -0.287) 2.115 7.925 ( -0.831 -1.287 -0.663) 1.669 7.925 ( -0.831 1.287 -0.663) 1.669 8.014 ( -1.376 -1.070 0.569) 1.833 8.014 ( -1.376 1.070 0.569) 1.833 8.418 ( 2.674 -5.479 0.849) 6.156 8.418 ( 2.674 5.479 0.849) 6.156 8.463 ( -0.444 -5.039 -0.940) 5.145 8.463 ( -0.444 5.039 -0.940) 5.145 8.712 ( 1.436 -1.020 -1.337) 2.211 8.712 ( 1.436 1.020 -1.337) 2.211 8.827 ( -0.759 -2.975 0.520) 3.114 8.827 ( -0.759 2.975 0.520) 3.114 8.959 ( -1.462 -0.493 1.234) 1.976 8.959 ( -1.462 0.493 1.234) 1.976 9.058 ( -1.613 -1.307 -0.630) 2.169 9.058 ( -1.613 1.307 -0.630) 2.169 9.286 ( -0.530 -0.748 -0.246) 0.949 9.286 ( -0.530 0.748 -0.246) 0.949 9.531 ( 1.055 -0.744 0.300) 1.325 9.531 ( 1.055 0.744 0.300) 1.325 9.888 ( 0.665 -1.082 0.440) 1.345 9.888 ( 0.665 1.082 0.440) 1.345 9.919 ( -0.087 -0.961 -0.484) 1.080 9.919 ( -0.087 0.961 -0.484) 1.080 10.959 ( -0.015 -0.827 -0.213) 0.854 10.959 ( -0.015 0.827 -0.213) 0.854 11.015 ( 0.066 -0.268 0.180) 0.330 11.015 ( 0.066 0.268 0.180) 0.330 11.150 ( -0.243 -0.656 0.310) 0.766 11.150 ( -0.243 0.656 0.310) 0.766 11.230 ( 0.500 -0.335 -0.186) 0.630 11.230 ( 0.500 0.335 -0.186) 0.630 12.087 ( 1.461 -2.425 -1.296) 3.114 12.087 ( 1.461 2.425 -1.296) 3.114 12.247 ( 2.632 -3.388 2.682) 5.059 12.247 ( 2.632 3.388 2.682) 5.059 12.337 ( -2.889 -1.978 -1.129) 3.679 12.337 ( -2.889 1.978 -1.129) 3.679 12.419 ( -1.287 -0.842 -0.336) 1.574 12.419 ( -1.287 0.842 -0.336) 1.574 14.492 ( -0.099 -0.408 -0.085) 0.428 14.492 ( -0.099 0.408 -0.085) 0.428 14.603 ( -0.478 -0.321 0.022) 0.576 14.603 ( -0.478 0.321 0.022) 0.576 14.778 ( 1.783 -2.925 0.521) 3.465 14.778 ( 1.783 2.925 0.521) 3.465 14.815 ( -1.309 -3.133 -0.501) 3.432 14.815 ( -1.309 3.133 -0.501) 3.432 15.345 ( 0.406 -1.782 1.598) 2.427 15.345 ( 0.406 1.782 1.598) 2.427 15.395 ( -2.469 -1.415 -2.047) 3.505 15.395 ( -2.469 1.415 -2.047) 3.505 15.778 ( 3.888 -1.385 2.355) 4.752 15.778 ( 3.888 1.385 2.355) 4.752 15.860 ( -0.998 -1.996 -1.949) 2.963 15.860 ( -0.998 1.996 -1.949) 2.963 16.962 ( 3.498 -8.237 2.605) 9.320 16.962 ( 3.498 8.237 2.605) 9.320 17.188 ( -4.799 -5.246 -4.412) 8.368 17.188 ( -4.799 5.246 -4.412) 8.368 17.482 ( 4.074 -4.180 1.577) 6.046 17.482 ( 4.074 4.180 1.577) 6.046 17.682 ( -4.730 -4.087 0.347) 6.261 17.682 ( -4.730 4.087 0.347) 6.261 18.311 ( 0.314 -1.800 0.311) 1.853 18.311 ( 0.314 1.800 0.311) 1.853 18.360 ( -0.239 -1.469 -0.351) 1.529 18.360 ( -0.239 1.469 -0.351) 1.529 18.585 ( 0.391 -0.927 -0.137) 1.015 18.585 ( 0.391 0.927 -0.137) 1.015 18.607 ( 0.173 -0.907 0.195) 0.944 18.607 ( 0.173 0.907 0.195) 0.944 21.761 ( 0.921 -1.041 -0.078) 1.392 21.761 ( 0.921 1.041 -0.078) 1.392 21.812 ( -0.743 -1.569 -0.051) 1.737 21.812 ( -0.743 1.569 -0.051) 1.737 22.223 ( -1.188 -0.764 0.268) 1.438 22.223 ( -1.188 0.764 0.268) 1.438 22.387 ( 0.164 -1.179 -0.395) 1.255 22.387 ( 0.164 1.179 -0.395) 1.255 22.452 ( 0.053 -1.638 0.225) 1.654 22.452 ( 0.053 1.638 0.225) 1.654 22.914 ( -0.466 -0.379 -0.024) 0.601 22.914 ( -0.466 0.379 -0.024) 0.601 23.067 ( 1.298 -0.759 0.251) 1.525 23.067 ( 1.298 0.759 0.251) 1.525 23.134 ( 0.075 -0.099 -0.228) 0.260 23.134 ( 0.075 0.099 -0.228) 0.260 =================== 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 3/33600 10.0 308.532 238.365 290.462 0.000 -49.179 0.000 3/33600 20.0 43.795 56.248 37.855 0.000 -0.986 0.000 3/33600 30.0 15.528 26.645 13.038 0.000 0.065 0.000 3/33600 40.0 8.291 16.321 6.935 0.000 0.073 0.000 3/33600 50.0 5.367 11.271 4.507 0.000 0.037 0.000 3/33600 60.0 3.882 8.420 3.276 0.000 0.014 0.000 3/33600 70.0 3.015 6.657 2.556 0.000 0.001 0.000 3/33600 80.0 2.459 5.492 2.091 0.000 -0.006 0.000 3/33600 90.0 2.076 4.679 1.771 0.000 -0.009 0.000 3/33600 100.0 1.799 4.087 1.538 0.000 -0.011 0.000 3/33600 110.0 1.589 3.639 1.361 0.000 -0.011 0.000 3/33600 120.0 1.426 3.289 1.224 0.000 -0.011 0.000 3/33600 130.0 1.296 3.008 1.113 0.000 -0.011 0.000 3/33600 140.0 1.189 2.777 1.022 0.000 -0.010 0.000 3/33600 150.0 1.100 2.584 0.947 0.000 -0.009 0.000 3/33600 160.0 1.025 2.419 0.883 0.000 -0.008 0.000 3/33600 170.0 0.961 2.276 0.827 0.000 -0.007 0.000 3/33600 180.0 0.905 2.151 0.779 0.000 -0.006 0.000 3/33600 190.0 0.856 2.041 0.737 0.000 -0.005 0.000 3/33600 200.0 0.813 1.943 0.700 0.000 -0.005 0.000 3/33600 210.0 0.774 1.854 0.666 0.000 -0.004 0.000 3/33600 220.0 0.739 1.774 0.636 0.000 -0.003 0.000 3/33600 230.0 0.708 1.701 0.609 0.000 -0.002 0.000 3/33600 240.0 0.679 1.634 0.584 0.000 -0.002 0.000 3/33600 250.0 0.653 1.573 0.562 0.000 -0.001 0.000 3/33600 260.0 0.629 1.516 0.541 0.000 -0.001 0.000 3/33600 270.0 0.607 1.463 0.521 0.000 -0.000 0.000 3/33600 280.0 0.586 1.414 0.504 0.000 0.000 0.000 3/33600 290.0 0.567 1.369 0.487 0.000 0.001 0.000 3/33600 300.0 0.549 1.326 0.471 0.000 0.001 0.000 3/33600 310.0 0.533 1.286 0.457 0.000 0.001 0.000 3/33600 320.0 0.517 1.248 0.443 0.000 0.001 0.000 3/33600 330.0 0.503 1.213 0.431 0.000 0.002 0.000 3/33600 340.0 0.489 1.180 0.419 0.000 0.002 0.000 3/33600 350.0 0.476 1.148 0.407 0.000 0.002 0.000 3/33600 360.0 0.463 1.118 0.397 0.000 0.002 0.000 3/33600 370.0 0.452 1.090 0.386 0.000 0.002 0.000 3/33600 380.0 0.440 1.063 0.377 0.000 0.003 0.000 3/33600 390.0 0.430 1.037 0.368 0.000 0.003 0.000 3/33600 400.0 0.420 1.013 0.359 0.000 0.003 0.000 3/33600 410.0 0.410 0.989 0.351 0.000 0.003 0.000 3/33600 420.0 0.401 0.967 0.343 0.000 0.003 0.000 3/33600 430.0 0.392 0.946 0.335 0.000 0.003 0.000 3/33600 440.0 0.384 0.925 0.328 0.000 0.003 0.000 3/33600 450.0 0.376 0.906 0.321 0.000 0.003 0.000 3/33600 460.0 0.368 0.887 0.314 0.000 0.003 0.000 3/33600 470.0 0.361 0.869 0.308 0.000 0.003 0.000 3/33600 480.0 0.354 0.852 0.302 0.000 0.003 0.000 3/33600 490.0 0.347 0.836 0.296 0.000 0.003 0.000 3/33600 500.0 0.340 0.820 0.290 0.000 0.003 0.000 3/33600 510.0 0.334 0.804 0.285 0.000 0.003 0.000 3/33600 520.0 0.328 0.789 0.279 0.000 0.003 0.000 3/33600 530.0 0.322 0.775 0.274 0.000 0.003 0.000 3/33600 540.0 0.317 0.762 0.270 0.000 0.003 0.000 3/33600 550.0 0.311 0.748 0.265 0.000 0.003 0.000 3/33600 560.0 0.306 0.735 0.260 0.000 0.003 0.000 3/33600 570.0 0.301 0.723 0.256 0.000 0.003 0.000 3/33600 580.0 0.296 0.711 0.252 0.000 0.003 0.000 3/33600 590.0 0.291 0.699 0.248 0.000 0.003 0.000 3/33600 600.0 0.286 0.688 0.244 0.000 0.003 0.000 3/33600 610.0 0.282 0.677 0.240 0.000 0.003 0.000 3/33600 620.0 0.278 0.667 0.236 0.000 0.003 0.000 3/33600 630.0 0.273 0.657 0.232 0.000 0.003 0.000 3/33600 640.0 0.269 0.647 0.229 0.000 0.003 0.000 3/33600 650.0 0.265 0.637 0.226 0.000 0.003 0.000 3/33600 660.0 0.261 0.628 0.222 0.000 0.003 0.000 3/33600 670.0 0.258 0.619 0.219 0.000 0.003 0.000 3/33600 680.0 0.254 0.610 0.216 0.000 0.003 0.000 3/33600 690.0 0.250 0.601 0.213 0.000 0.003 0.000 3/33600 700.0 0.247 0.593 0.210 0.000 0.003 0.000 3/33600 710.0 0.244 0.585 0.207 0.000 0.003 0.000 3/33600 720.0 0.240 0.577 0.204 0.000 0.003 0.000 3/33600 730.0 0.237 0.569 0.202 0.000 0.003 0.000 3/33600 740.0 0.234 0.562 0.199 0.000 0.003 0.000 3/33600 750.0 0.231 0.555 0.196 0.000 0.003 0.000 3/33600 760.0 0.228 0.548 0.194 0.000 0.003 0.000 3/33600 770.0 0.225 0.541 0.191 0.000 0.003 0.000 3/33600 780.0 0.223 0.534 0.189 0.000 0.003 0.000 3/33600 790.0 0.220 0.527 0.187 0.000 0.003 0.000 3/33600 800.0 0.217 0.521 0.184 0.000 0.003 0.000 3/33600 810.0 0.215 0.515 0.182 0.000 0.003 0.000 3/33600 820.0 0.212 0.508 0.180 0.000 0.003 0.000 3/33600 830.0 0.210 0.502 0.178 0.000 0.003 0.000 3/33600 840.0 0.207 0.497 0.176 0.000 0.003 0.000 3/33600 850.0 0.205 0.491 0.174 0.000 0.003 0.000 3/33600 860.0 0.202 0.485 0.172 0.000 0.003 0.000 3/33600 870.0 0.200 0.480 0.170 0.000 0.003 0.000 3/33600 880.0 0.198 0.475 0.168 0.000 0.003 0.000 3/33600 890.0 0.196 0.469 0.166 0.000 0.003 0.000 3/33600 900.0 0.194 0.464 0.164 0.000 0.003 0.000 3/33600 910.0 0.192 0.459 0.163 0.000 0.003 0.000 3/33600 920.0 0.190 0.454 0.161 0.000 0.003 0.000 3/33600 930.0 0.188 0.450 0.159 0.000 0.003 0.000 3/33600 940.0 0.186 0.445 0.157 0.000 0.003 0.000 3/33600 950.0 0.184 0.440 0.156 0.000 0.003 0.000 3/33600 960.0 0.182 0.436 0.154 0.000 0.003 0.000 3/33600 970.0 0.180 0.431 0.153 0.000 0.003 0.000 3/33600 980.0 0.178 0.427 0.151 0.000 0.003 0.000 3/33600 990.0 0.177 0.423 0.150 0.000 0.003 0.000 3/33600 1000.0 0.175 0.419 0.148 0.000 0.002 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:48:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|