----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:45:19]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 20.594895940000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.777917480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.894540560000002 Atomic positions (fractional): *1 K 0.04293290714725 0.52144729515400 0.25133676343502 39.098 *2 K 0.28281346284175 0.52603962820709 0.92804813238482 39.098 *3 K 0.63915621089121 0.25000000000000 0.56360102066878 39.098 4 K 0.36084378910879 0.75000000000000 0.43639897933122 39.098 5 K 0.71718653715825 0.47396037179291 0.07195186761517 39.098 6 K 0.21718653715825 0.47396037179291 0.42804813238482 39.098 7 K 0.13915621089121 0.25000000000000 0.93639897933122 39.098 8 K 0.04293290714725 0.97855270484600 0.25133676343502 39.098 9 K 0.71718653715825 0.02603962820709 0.07195186761517 39.098 10 K 0.86084378910879 0.75000000000000 0.06360102066878 39.098 11 K 0.45706709285275 0.47855270484600 0.75133676343502 39.098 12 K 0.78281346284175 0.52603962820709 0.57195186761518 39.098 13 K 0.95706709285275 0.02144729515400 0.74866323656498 39.098 14 K 0.28281346284175 0.97396037179291 0.92804813238482 39.098 15 K 0.95706709285275 0.47855270484600 0.74866323656498 39.098 16 K 0.45706709285275 0.02144729515400 0.75133676343502 39.098 17 K 0.54293290714725 0.52144729515400 0.24866323656498 39.098 18 K 0.78281346284175 0.97396037179291 0.57195186761518 39.098 19 K 0.54293290714725 0.97855270484600 0.24866323656498 39.098 20 K 0.21718653715825 0.02603962820709 0.42804813238482 39.098 *21 Li 0.57739108986397 0.25000000000000 0.97047193814440 6.941 *22 Li 0.67274935065406 0.75000000000000 0.34180900577220 6.941 23 Li 0.82725064934594 0.25000000000000 0.84180900577220 6.941 24 Li 0.32725064934594 0.25000000000000 0.65819099422780 6.941 25 Li 0.92260891013603 0.75000000000000 0.47047193814439 6.941 26 Li 0.17274935065406 0.75000000000000 0.15819099422780 6.941 27 Li 0.07739108986397 0.25000000000000 0.52952806185560 6.941 28 Li 0.42260891013603 0.75000000000000 0.02952806185561 6.941 *29 Nd 0.10694558301715 0.75000000000000 0.73773932980044 144.242 30 Nd 0.60694558301715 0.75000000000000 0.76226067019956 144.242 31 Nd 0.89305441698285 0.25000000000000 0.26226067019956 144.242 32 Nd 0.39305441698285 0.25000000000000 0.23773932980044 144.242 *33 F 0.49103466497200 0.25000000000000 0.04652121033576 18.998 *34 F 0.24096125612898 0.25000000000000 0.70950287276214 18.998 *35 F 0.14681405671704 0.92427494289606 0.00097987601180 18.998 *36 F 0.13106898566767 0.75000000000000 0.39476428670616 18.998 37 F 0.35318594328296 0.07572505710394 0.50097987601180 18.998 38 F 0.86893101433233 0.25000000000000 0.60523571329384 18.998 39 F 0.50896533502800 0.75000000000000 0.95347878966424 18.998 40 F 0.85318594328296 0.07572505710394 0.99902012398820 18.998 41 F 0.75903874387102 0.75000000000000 0.29049712723786 18.998 *42 F 0.71886867371300 0.75000000000000 0.80777504407297 18.998 43 F 0.35318594328296 0.42427494289606 0.50097987601180 18.998 44 F 0.36893101433233 0.25000000000000 0.89476428670616 18.998 *45 F 0.41005809841100 0.95982687263890 0.15507518380432 18.998 46 F 0.64681405671704 0.57572505710394 0.49902012398820 18.998 47 F 0.41005809841100 0.54017312736110 0.15507518380432 18.998 *48 F 0.62628993753193 0.25000000000000 0.18760425367458 18.998 49 F 0.99103466497200 0.25000000000000 0.45347878966423 18.998 50 F 0.25903874387102 0.75000000000000 0.20950287276214 18.998 *51 F 0.51897812170334 0.75000000000000 0.54419628608026 18.998 52 F 0.12628993753193 0.25000000000000 0.31239574632542 18.998 53 F 0.08994190158900 0.04017312736110 0.65507518380432 18.998 54 F 0.91005809841100 0.54017312736110 0.34492481619568 18.998 55 F 0.48102187829666 0.25000000000000 0.45580371391974 18.998 56 F 0.58994190158900 0.45982687263890 0.84492481619568 18.998 57 F 0.28113132628700 0.25000000000000 0.19222495592703 18.998 58 F 0.00896533502800 0.75000000000000 0.54652121033576 18.998 59 F 0.85318594328296 0.42427494289606 0.99902012398820 18.998 60 F 0.98102187829666 0.25000000000000 0.04419628608026 18.998 61 F 0.01897812170334 0.75000000000000 0.95580371391974 18.998 62 F 0.14681405671704 0.57572505710394 0.00097987601180 18.998 63 F 0.63106898566767 0.75000000000000 0.10523571329384 18.998 64 F 0.21886867371300 0.75000000000000 0.69222495592703 18.998 65 F 0.37371006246807 0.75000000000000 0.81239574632542 18.998 66 F 0.74096125612898 0.25000000000000 0.79049712723786 18.998 67 F 0.08994190158900 0.45982687263890 0.65507518380432 18.998 68 F 0.87371006246807 0.75000000000000 0.68760425367458 18.998 69 F 0.91005809841100 0.95982687263890 0.34492481619568 18.998 70 F 0.58994190158900 0.04017312736110 0.84492481619568 18.998 71 F 0.64681405671704 0.92427494289606 0.49902012398820 18.998 72 F 0.78113132628700 0.25000000000000 0.30777504407297 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 20.594895940000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.777917480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.894540560000002 Atomic positions (fractional): *1 K 0.04293290714725 0.52144729515400 0.25133676343502 39.098 > 1 *2 K 0.28281346284175 0.52603962820709 0.92804813238482 39.098 > 2 *3 K 0.63915621089121 0.25000000000000 0.56360102066878 39.098 > 3 4 K 0.36084378910879 0.75000000000000 0.43639897933122 39.098 > 4 5 K 0.71718653715825 0.47396037179291 0.07195186761517 39.098 > 5 6 K 0.21718653715825 0.47396037179291 0.42804813238482 39.098 > 6 7 K 0.13915621089121 0.25000000000000 0.93639897933122 39.098 > 7 8 K 0.04293290714725 0.97855270484600 0.25133676343502 39.098 > 8 9 K 0.71718653715825 0.02603962820709 0.07195186761517 39.098 > 9 10 K 0.86084378910879 0.75000000000000 0.06360102066878 39.098 > 10 11 K 0.45706709285275 0.47855270484600 0.75133676343502 39.098 > 11 12 K 0.78281346284175 0.52603962820709 0.57195186761518 39.098 > 12 13 K 0.95706709285275 0.02144729515400 0.74866323656498 39.098 > 13 14 K 0.28281346284175 0.97396037179291 0.92804813238482 39.098 > 14 15 K 0.95706709285275 0.47855270484600 0.74866323656498 39.098 > 15 16 K 0.45706709285275 0.02144729515400 0.75133676343502 39.098 > 16 17 K 0.54293290714725 0.52144729515400 0.24866323656498 39.098 > 17 18 K 0.78281346284175 0.97396037179291 0.57195186761518 39.098 > 18 19 K 0.54293290714725 0.97855270484600 0.24866323656498 39.098 > 19 20 K 0.21718653715825 0.02603962820709 0.42804813238482 39.098 > 20 *21 Li 0.57739108986397 0.25000000000000 0.97047193814440 6.941 > 21 *22 Li 0.67274935065406 0.75000000000000 0.34180900577220 6.941 > 22 23 Li 0.82725064934594 0.25000000000000 0.84180900577220 6.941 > 23 24 Li 0.32725064934594 0.25000000000000 0.65819099422780 6.941 > 24 25 Li 0.92260891013603 0.75000000000000 0.47047193814439 6.941 > 25 26 Li 0.17274935065406 0.75000000000000 0.15819099422780 6.941 > 26 27 Li 0.07739108986397 0.25000000000000 0.52952806185560 6.941 > 27 28 Li 0.42260891013603 0.75000000000000 0.02952806185561 6.941 > 28 *29 Nd 0.10694558301715 0.75000000000000 0.73773932980044 144.242 > 29 30 Nd 0.60694558301715 0.75000000000000 0.76226067019956 144.242 > 30 31 Nd 0.89305441698285 0.25000000000000 0.26226067019956 144.242 > 31 32 Nd 0.39305441698285 0.25000000000000 0.23773932980044 144.242 > 32 *33 F 0.49103466497200 0.25000000000000 0.04652121033576 18.998 > 33 *34 F 0.24096125612898 0.25000000000000 0.70950287276214 18.998 > 34 *35 F 0.14681405671704 0.92427494289606 0.00097987601180 18.998 > 35 *36 F 0.13106898566767 0.75000000000000 0.39476428670616 18.998 > 36 37 F 0.35318594328296 0.07572505710394 0.50097987601180 18.998 > 37 38 F 0.86893101433233 0.25000000000000 0.60523571329384 18.998 > 38 39 F 0.50896533502800 0.75000000000000 0.95347878966424 18.998 > 39 40 F 0.85318594328296 0.07572505710394 0.99902012398820 18.998 > 40 41 F 0.75903874387102 0.75000000000000 0.29049712723786 18.998 > 41 *42 F 0.71886867371300 0.75000000000000 0.80777504407297 18.998 > 42 43 F 0.35318594328296 0.42427494289606 0.50097987601180 18.998 > 43 44 F 0.36893101433233 0.25000000000000 0.89476428670616 18.998 > 44 *45 F 0.41005809841100 0.95982687263890 0.15507518380432 18.998 > 45 46 F 0.64681405671704 0.57572505710394 0.49902012398820 18.998 > 46 47 F 0.41005809841100 0.54017312736110 0.15507518380432 18.998 > 47 *48 F 0.62628993753193 0.25000000000000 0.18760425367458 18.998 > 48 49 F 0.99103466497200 0.25000000000000 0.45347878966423 18.998 > 49 50 F 0.25903874387102 0.75000000000000 0.20950287276214 18.998 > 50 *51 F 0.51897812170334 0.75000000000000 0.54419628608026 18.998 > 51 52 F 0.12628993753193 0.25000000000000 0.31239574632542 18.998 > 52 53 F 0.08994190158900 0.04017312736110 0.65507518380432 18.998 > 53 54 F 0.91005809841100 0.54017312736110 0.34492481619568 18.998 > 54 55 F 0.48102187829666 0.25000000000000 0.45580371391974 18.998 > 55 56 F 0.58994190158900 0.45982687263890 0.84492481619568 18.998 > 56 57 F 0.28113132628700 0.25000000000000 0.19222495592703 18.998 > 57 58 F 0.00896533502800 0.75000000000000 0.54652121033576 18.998 > 58 59 F 0.85318594328296 0.42427494289606 0.99902012398820 18.998 > 59 60 F 0.98102187829666 0.25000000000000 0.04419628608026 18.998 > 60 61 F 0.01897812170334 0.75000000000000 0.95580371391974 18.998 > 61 62 F 0.14681405671704 0.57572505710394 0.00097987601180 18.998 > 62 63 F 0.63106898566767 0.75000000000000 0.10523571329384 18.998 > 63 64 F 0.21886867371300 0.75000000000000 0.69222495592703 18.998 > 64 65 F 0.37371006246807 0.75000000000000 0.81239574632542 18.998 > 65 66 F 0.74096125612898 0.25000000000000 0.79049712723786 18.998 > 66 67 F 0.08994190158900 0.45982687263890 0.65507518380432 18.998 > 67 68 F 0.87371006246807 0.75000000000000 0.68760425367458 18.998 > 68 69 F 0.91005809841100 0.95982687263890 0.34492481619568 18.998 > 69 70 F 0.58994190158900 0.04017312736110 0.84492481619568 18.998 > 70 71 F 0.64681405671704 0.92427494289606 0.49902012398820 18.998 > 71 72 F 0.78113132628700 0.25000000000000 0.30777504407297 18.998 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 20.594895940000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.777917480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.789081120000004 Atomic positions (fractional): *1 K 0.04293290714725 0.52144729515400 0.12566838171751 39.098 > 1 2 K 0.04293290714725 0.52144729515400 0.62566838171751 39.098 > 1 *3 K 0.28281346284175 0.52603962820709 0.46402406619241 39.098 > 2 4 K 0.28281346284175 0.52603962820709 0.96402406619241 39.098 > 2 *5 K 0.63915621089121 0.25000000000000 0.28180051033439 39.098 > 3 6 K 0.63915621089121 0.25000000000000 0.78180051033439 39.098 > 3 7 K 0.36084378910879 0.75000000000000 0.21819948966561 39.098 > 4 8 K 0.36084378910879 0.75000000000000 0.71819948966561 39.098 > 4 9 K 0.71718653715825 0.47396037179291 0.03597593380759 39.098 > 5 10 K 0.71718653715825 0.47396037179291 0.53597593380759 39.098 > 5 11 K 0.21718653715825 0.47396037179291 0.21402406619241 39.098 > 6 12 K 0.21718653715825 0.47396037179291 0.71402406619241 39.098 > 6 13 K 0.13915621089121 0.25000000000000 0.46819948966561 39.098 > 7 14 K 0.13915621089121 0.25000000000000 0.96819948966561 39.098 > 7 15 K 0.04293290714725 0.97855270484600 0.12566838171751 39.098 > 8 16 K 0.04293290714725 0.97855270484600 0.62566838171751 39.098 > 8 17 K 0.71718653715825 0.02603962820709 0.03597593380759 39.098 > 9 18 K 0.71718653715825 0.02603962820709 0.53597593380759 39.098 > 9 19 K 0.86084378910879 0.75000000000000 0.03180051033439 39.098 > 10 20 K 0.86084378910879 0.75000000000000 0.53180051033439 39.098 > 10 21 K 0.45706709285275 0.47855270484600 0.37566838171751 39.098 > 11 22 K 0.45706709285275 0.47855270484600 0.87566838171751 39.098 > 11 23 K 0.78281346284175 0.52603962820709 0.28597593380759 39.098 > 12 24 K 0.78281346284175 0.52603962820709 0.78597593380759 39.098 > 12 25 K 0.95706709285275 0.02144729515400 0.37433161828249 39.098 > 13 26 K 0.95706709285275 0.02144729515400 0.87433161828249 39.098 > 13 27 K 0.28281346284175 0.97396037179291 0.46402406619241 39.098 > 14 28 K 0.28281346284175 0.97396037179291 0.96402406619241 39.098 > 14 29 K 0.95706709285275 0.47855270484600 0.37433161828249 39.098 > 15 30 K 0.95706709285275 0.47855270484600 0.87433161828249 39.098 > 15 31 K 0.45706709285275 0.02144729515400 0.37566838171751 39.098 > 16 32 K 0.45706709285275 0.02144729515400 0.87566838171751 39.098 > 16 33 K 0.54293290714725 0.52144729515400 0.12433161828249 39.098 > 17 34 K 0.54293290714725 0.52144729515400 0.62433161828249 39.098 > 17 35 K 0.78281346284175 0.97396037179291 0.28597593380759 39.098 > 18 36 K 0.78281346284175 0.97396037179291 0.78597593380759 39.098 > 18 37 K 0.54293290714725 0.97855270484600 0.12433161828249 39.098 > 19 38 K 0.54293290714725 0.97855270484600 0.62433161828249 39.098 > 19 39 K 0.21718653715825 0.02603962820709 0.21402406619241 39.098 > 20 40 K 0.21718653715825 0.02603962820709 0.71402406619241 39.098 > 20 *41 Li 0.57739108986397 0.25000000000000 0.48523596907220 6.941 > 21 42 Li 0.57739108986397 0.25000000000000 0.98523596907220 6.941 > 21 *43 Li 0.67274935065406 0.75000000000000 0.17090450288610 6.941 > 22 44 Li 0.67274935065406 0.75000000000000 0.67090450288610 6.941 > 22 45 Li 0.82725064934594 0.25000000000000 0.42090450288610 6.941 > 23 46 Li 0.82725064934594 0.25000000000000 0.92090450288610 6.941 > 23 47 Li 0.32725064934594 0.25000000000000 0.32909549711390 6.941 > 24 48 Li 0.32725064934594 0.25000000000000 0.82909549711390 6.941 > 24 49 Li 0.92260891013603 0.75000000000000 0.23523596907220 6.941 > 25 50 Li 0.92260891013603 0.75000000000000 0.73523596907220 6.941 > 25 51 Li 0.17274935065406 0.75000000000000 0.07909549711390 6.941 > 26 52 Li 0.17274935065406 0.75000000000000 0.57909549711390 6.941 > 26 53 Li 0.07739108986397 0.25000000000000 0.26476403092780 6.941 > 27 54 Li 0.07739108986397 0.25000000000000 0.76476403092780 6.941 > 27 55 Li 0.42260891013603 0.75000000000000 0.01476403092780 6.941 > 28 56 Li 0.42260891013603 0.75000000000000 0.51476403092780 6.941 > 28 *57 Nd 0.10694558301715 0.75000000000000 0.36886966490022 144.242 > 29 58 Nd 0.10694558301715 0.75000000000000 0.86886966490022 144.242 > 29 59 Nd 0.60694558301715 0.75000000000000 0.38113033509978 144.242 > 30 60 Nd 0.60694558301715 0.75000000000000 0.88113033509978 144.242 > 30 61 Nd 0.89305441698285 0.25000000000000 0.13113033509978 144.242 > 31 62 Nd 0.89305441698285 0.25000000000000 0.63113033509978 144.242 > 31 63 Nd 0.39305441698285 0.25000000000000 0.11886966490022 144.242 > 32 64 Nd 0.39305441698285 0.25000000000000 0.61886966490022 144.242 > 32 *65 F 0.49103466497200 0.25000000000000 0.02326060516788 18.998 > 33 66 F 0.49103466497200 0.25000000000000 0.52326060516788 18.998 > 33 *67 F 0.24096125612898 0.25000000000000 0.35475143638107 18.998 > 34 68 F 0.24096125612898 0.25000000000000 0.85475143638107 18.998 > 34 *69 F 0.14681405671704 0.92427494289606 0.00048993800590 18.998 > 35 70 F 0.14681405671704 0.92427494289606 0.50048993800590 18.998 > 35 *71 F 0.13106898566767 0.75000000000000 0.19738214335308 18.998 > 36 72 F 0.13106898566767 0.75000000000000 0.69738214335308 18.998 > 36 73 F 0.35318594328296 0.07572505710394 0.25048993800590 18.998 > 37 74 F 0.35318594328296 0.07572505710394 0.75048993800590 18.998 > 37 75 F 0.86893101433233 0.25000000000000 0.30261785664692 18.998 > 38 76 F 0.86893101433233 0.25000000000000 0.80261785664692 18.998 > 38 77 F 0.50896533502800 0.75000000000000 0.47673939483212 18.998 > 39 78 F 0.50896533502800 0.75000000000000 0.97673939483212 18.998 > 39 79 F 0.85318594328296 0.07572505710394 0.49951006199410 18.998 > 40 80 F 0.85318594328296 0.07572505710394 0.99951006199410 18.998 > 40 81 F 0.75903874387102 0.75000000000000 0.14524856361893 18.998 > 41 82 F 0.75903874387102 0.75000000000000 0.64524856361893 18.998 > 41 *83 F 0.71886867371300 0.75000000000000 0.40388752203648 18.998 > 42 84 F 0.71886867371300 0.75000000000000 0.90388752203648 18.998 > 42 85 F 0.35318594328296 0.42427494289606 0.25048993800590 18.998 > 43 86 F 0.35318594328296 0.42427494289606 0.75048993800590 18.998 > 43 87 F 0.36893101433233 0.25000000000000 0.44738214335308 18.998 > 44 88 F 0.36893101433233 0.25000000000000 0.94738214335308 18.998 > 44 *89 F 0.41005809841100 0.95982687263890 0.07753759190216 18.998 > 45 90 F 0.41005809841100 0.95982687263890 0.57753759190216 18.998 > 45 91 F 0.64681405671704 0.57572505710394 0.24951006199410 18.998 > 46 92 F 0.64681405671704 0.57572505710394 0.74951006199410 18.998 > 46 93 F 0.41005809841100 0.54017312736110 0.07753759190216 18.998 > 47 94 F 0.41005809841100 0.54017312736110 0.57753759190216 18.998 > 47 *95 F 0.62628993753193 0.25000000000000 0.09380212683729 18.998 > 48 96 F 0.62628993753193 0.25000000000000 0.59380212683729 18.998 > 48 97 F 0.99103466497200 0.25000000000000 0.22673939483212 18.998 > 49 98 F 0.99103466497200 0.25000000000000 0.72673939483212 18.998 > 49 99 F 0.25903874387102 0.75000000000000 0.10475143638107 18.998 > 50 100 F 0.25903874387102 0.75000000000000 0.60475143638107 18.998 > 50 *101 F 0.51897812170334 0.75000000000000 0.27209814304013 18.998 > 51 102 F 0.51897812170334 0.75000000000000 0.77209814304013 18.998 > 51 103 F 0.12628993753193 0.25000000000000 0.15619787316271 18.998 > 52 104 F 0.12628993753193 0.25000000000000 0.65619787316271 18.998 > 52 105 F 0.08994190158900 0.04017312736110 0.32753759190216 18.998 > 53 106 F 0.08994190158900 0.04017312736110 0.82753759190216 18.998 > 53 107 F 0.91005809841100 0.54017312736110 0.17246240809784 18.998 > 54 108 F 0.91005809841100 0.54017312736110 0.67246240809784 18.998 > 54 109 F 0.48102187829666 0.25000000000000 0.22790185695987 18.998 > 55 110 F 0.48102187829666 0.25000000000000 0.72790185695987 18.998 > 55 111 F 0.58994190158900 0.45982687263890 0.42246240809784 18.998 > 56 112 F 0.58994190158900 0.45982687263890 0.92246240809784 18.998 > 56 113 F 0.28113132628700 0.25000000000000 0.09611247796352 18.998 > 57 114 F 0.28113132628700 0.25000000000000 0.59611247796352 18.998 > 57 115 F 0.00896533502800 0.75000000000000 0.27326060516788 18.998 > 58 116 F 0.00896533502800 0.75000000000000 0.77326060516788 18.998 > 58 117 F 0.85318594328296 0.42427494289606 0.49951006199410 18.998 > 59 118 F 0.85318594328296 0.42427494289606 0.99951006199410 18.998 > 59 119 F 0.98102187829666 0.25000000000000 0.02209814304013 18.998 > 60 120 F 0.98102187829666 0.25000000000000 0.52209814304013 18.998 > 60 121 F 0.01897812170334 0.75000000000000 0.47790185695987 18.998 > 61 122 F 0.01897812170334 0.75000000000000 0.97790185695987 18.998 > 61 123 F 0.14681405671704 0.57572505710394 0.00048993800590 18.998 > 62 124 F 0.14681405671704 0.57572505710394 0.50048993800590 18.998 > 62 125 F 0.63106898566767 0.75000000000000 0.05261785664692 18.998 > 63 126 F 0.63106898566767 0.75000000000000 0.55261785664692 18.998 > 63 127 F 0.21886867371300 0.75000000000000 0.34611247796352 18.998 > 64 128 F 0.21886867371300 0.75000000000000 0.84611247796352 18.998 > 64 129 F 0.37371006246807 0.75000000000000 0.40619787316271 18.998 > 65 130 F 0.37371006246807 0.75000000000000 0.90619787316271 18.998 > 65 131 F 0.74096125612898 0.25000000000000 0.39524856361893 18.998 > 66 132 F 0.74096125612898 0.25000000000000 0.89524856361893 18.998 > 66 133 F 0.08994190158900 0.45982687263890 0.32753759190216 18.998 > 67 134 F 0.08994190158900 0.45982687263890 0.82753759190216 18.998 > 67 135 F 0.87371006246807 0.75000000000000 0.34380212683729 18.998 > 68 136 F 0.87371006246807 0.75000000000000 0.84380212683729 18.998 > 68 137 F 0.91005809841100 0.95982687263890 0.17246240809784 18.998 > 69 138 F 0.91005809841100 0.95982687263890 0.67246240809784 18.998 > 69 139 F 0.58994190158900 0.04017312736110 0.42246240809784 18.998 > 70 140 F 0.58994190158900 0.04017312736110 0.92246240809784 18.998 > 70 141 F 0.64681405671704 0.92427494289606 0.24951006199410 18.998 > 71 142 F 0.64681405671704 0.92427494289606 0.74951006199410 18.998 > 71 143 F 0.78113132628700 0.25000000000000 0.15388752203648 18.998 > 72 144 F 0.78113132628700 0.25000000000000 0.65388752203648 18.998 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1375338 0.0000000 0.0000000 0.0000000 2.1561878 0.0000000 0.0000000 0.0000000 2.1457581 -------------------------- Born effective charges -------------------------- 1 K 1.1456276 0.1024908 -0.0268872 0.0903743 1.1867996 -0.0118269 -0.0236022 -0.0089290 1.1793183 2 K 1.1954264 -0.0893093 0.0428373 -0.0656065 1.2362540 -0.0009547 0.0340324 -0.0108477 1.1032154 3 K 1.0713582 -0.0000000 0.0301667 -0.0000000 1.3150694 0.0000000 0.0498779 0.0000000 1.1899606 4 K 1.0713582 -0.0000000 0.0301667 -0.0000000 1.3150694 0.0000000 0.0498779 0.0000000 1.1899606 5 K 1.1954264 -0.0893093 0.0428373 -0.0656065 1.2362540 -0.0009547 0.0340324 -0.0108477 1.1032154 6 K 1.1954264 -0.0893093 -0.0428373 -0.0656065 1.2362540 0.0009547 -0.0340324 0.0108477 1.1032154 7 K 1.0713582 -0.0000000 -0.0301667 -0.0000000 1.3150694 0.0000000 -0.0498779 0.0000000 1.1899606 8 K 1.1456276 -0.1024908 -0.0268872 -0.0903743 1.1867996 0.0118269 -0.0236022 0.0089290 1.1793183 9 K 1.1954264 0.0893093 0.0428373 0.0656065 1.2362540 0.0009547 0.0340324 0.0108477 1.1032154 10 K 1.0713582 -0.0000000 -0.0301667 -0.0000000 1.3150694 0.0000000 -0.0498779 0.0000000 1.1899606 11 K 1.1456276 0.1024908 0.0268872 0.0903743 1.1867996 0.0118269 0.0236022 0.0089290 1.1793183 12 K 1.1954264 -0.0893093 -0.0428373 -0.0656065 1.2362540 0.0009547 -0.0340324 0.0108477 1.1032154 13 K 1.1456276 -0.1024908 -0.0268872 -0.0903743 1.1867996 0.0118269 -0.0236022 0.0089290 1.1793183 14 K 1.1954264 0.0893093 0.0428373 0.0656065 1.2362540 0.0009547 0.0340324 0.0108477 1.1032154 15 K 1.1456276 0.1024908 -0.0268872 0.0903743 1.1867996 -0.0118269 -0.0236022 -0.0089290 1.1793183 16 K 1.1456276 -0.1024908 0.0268872 -0.0903743 1.1867996 -0.0118269 0.0236022 -0.0089290 1.1793183 17 K 1.1456276 0.1024908 0.0268872 0.0903743 1.1867996 0.0118269 0.0236022 0.0089290 1.1793183 18 K 1.1954264 0.0893093 -0.0428373 0.0656065 1.2362540 -0.0009547 -0.0340324 -0.0108477 1.1032154 19 K 1.1456276 -0.1024908 0.0268872 -0.0903743 1.1867996 -0.0118269 0.0236022 -0.0089290 1.1793183 20 K 1.1954264 0.0893093 -0.0428373 0.0656065 1.2362540 -0.0009547 -0.0340324 -0.0108477 1.1032154 21 Li 1.0046023 -0.0000000 -0.0257735 -0.0000000 1.1266767 0.0000000 -0.0506807 0.0000000 0.9624078 22 Li 0.9619667 -0.0000000 -0.0360182 -0.0000000 0.8404963 0.0000000 -0.0147683 0.0000000 1.1029814 23 Li 0.9619667 -0.0000000 0.0360182 -0.0000000 0.8404963 0.0000000 0.0147683 0.0000000 1.1029814 24 Li 0.9619667 -0.0000000 -0.0360182 -0.0000000 0.8404963 0.0000000 -0.0147683 0.0000000 1.1029814 25 Li 1.0046023 -0.0000000 0.0257735 -0.0000000 1.1266767 0.0000000 0.0506807 0.0000000 0.9624078 26 Li 0.9619667 -0.0000000 0.0360182 -0.0000000 0.8404963 0.0000000 0.0147683 0.0000000 1.1029814 27 Li 1.0046023 -0.0000000 0.0257735 -0.0000000 1.1266767 0.0000000 0.0506807 0.0000000 0.9624078 28 Li 1.0046023 -0.0000000 -0.0257735 -0.0000000 1.1266767 0.0000000 -0.0506807 0.0000000 0.9624078 29 Nd 3.5440951 -0.0000000 0.0897966 -0.0000000 3.3914607 0.0000000 0.0788039 0.0000000 3.6253421 30 Nd 3.5440951 -0.0000000 -0.0897966 -0.0000000 3.3914607 0.0000000 -0.0788039 0.0000000 3.6253421 31 Nd 3.5440951 -0.0000000 0.0897966 -0.0000000 3.3914607 0.0000000 0.0788039 0.0000000 3.6253421 32 Nd 3.5440951 -0.0000000 -0.0897966 -0.0000000 3.3914607 0.0000000 -0.0788039 0.0000000 3.6253421 33 F -1.3642600 -0.0000000 0.2545430 -0.0000000 -0.9724967 0.0000000 0.2622096 0.0000000 -1.0875008 34 F -1.1168771 -0.0000000 0.0112535 -0.0000000 -1.0930291 0.0000000 0.0152534 0.0000000 -1.1133808 35 F -0.9830206 -0.0912145 -0.1427927 -0.0905054 -1.1490785 -0.2101743 -0.1401586 -0.1870903 -1.2554781 36 F -0.9616254 -0.0000000 0.1172835 -0.0000000 -0.9415556 0.0000000 0.1375161 0.0000000 -1.5200040 37 F -0.9830206 -0.0912145 0.1427927 -0.0905054 -1.1490785 0.2101743 0.1401586 0.1870903 -1.2554781 38 F -0.9616254 -0.0000000 0.1172835 -0.0000000 -0.9415556 0.0000000 0.1375161 0.0000000 -1.5200040 39 F -1.3642600 -0.0000000 0.2545430 -0.0000000 -0.9724967 0.0000000 0.2622096 0.0000000 -1.0875008 40 F -0.9830206 -0.0912145 -0.1427927 -0.0905054 -1.1490785 -0.2101743 -0.1401586 -0.1870903 -1.2554781 41 F -1.1168771 -0.0000000 0.0112535 -0.0000000 -1.0930291 0.0000000 0.0152534 0.0000000 -1.1133808 42 F -1.5917506 -0.0000000 -0.0406928 -0.0000000 -0.9754643 0.0000000 -0.0595937 0.0000000 -0.9570352 43 F -0.9830206 0.0912145 0.1427927 0.0905054 -1.1490785 -0.2101743 0.1401586 -0.1870903 -1.2554781 44 F -0.9616254 -0.0000000 -0.1172835 -0.0000000 -0.9415556 0.0000000 -0.1375161 0.0000000 -1.5200040 45 F -0.9288594 0.1062706 0.0362685 0.0966338 -1.5721243 -0.1780080 0.0428756 -0.1838388 -0.9480785 46 F -0.9830206 0.0912145 0.1427927 0.0905054 -1.1490785 -0.2101743 0.1401586 -0.1870903 -1.2554781 47 F -0.9288594 -0.1062706 0.0362685 -0.0966338 -1.5721243 0.1780080 0.0428756 0.1838388 -0.9480785 48 F -1.1214330 -0.0000000 -0.0023425 -0.0000000 -1.1244473 0.0000000 -0.0032400 0.0000000 -1.0949402 49 F -1.3642600 -0.0000000 -0.2545430 -0.0000000 -0.9724967 0.0000000 -0.2622096 0.0000000 -1.0875008 50 F -1.1168771 -0.0000000 -0.0112535 -0.0000000 -1.0930291 0.0000000 -0.0152534 0.0000000 -1.1133808 51 F -1.2844240 -0.0000000 -0.2968392 -0.0000000 -0.9704119 0.0000000 -0.2901936 0.0000000 -1.2657848 52 F -1.1214330 -0.0000000 0.0023425 -0.0000000 -1.1244473 0.0000000 0.0032400 0.0000000 -1.0949402 53 F -0.9288594 0.1062706 -0.0362685 0.0966338 -1.5721243 0.1780080 -0.0428756 0.1838388 -0.9480785 54 F -0.9288594 -0.1062706 -0.0362685 -0.0966338 -1.5721243 -0.1780080 -0.0428756 -0.1838388 -0.9480785 55 F -1.2844240 -0.0000000 -0.2968392 -0.0000000 -0.9704119 0.0000000 -0.2901936 0.0000000 -1.2657848 56 F -0.9288594 -0.1062706 0.0362685 -0.0966338 -1.5721243 0.1780080 0.0428756 0.1838388 -0.9480785 57 F -1.5917506 -0.0000000 -0.0406928 -0.0000000 -0.9754643 0.0000000 -0.0595937 0.0000000 -0.9570352 58 F -1.3642600 -0.0000000 -0.2545430 -0.0000000 -0.9724967 0.0000000 -0.2622096 0.0000000 -1.0875008 59 F -0.9830206 0.0912145 -0.1427927 0.0905054 -1.1490785 0.2101743 -0.1401586 0.1870903 -1.2554781 60 F -1.2844240 -0.0000000 0.2968392 -0.0000000 -0.9704119 0.0000000 0.2901936 0.0000000 -1.2657848 61 F -1.2844240 -0.0000000 0.2968392 -0.0000000 -0.9704119 0.0000000 0.2901936 0.0000000 -1.2657848 62 F -0.9830206 0.0912145 -0.1427927 0.0905054 -1.1490785 0.2101743 -0.1401586 0.1870903 -1.2554781 63 F -0.9616254 -0.0000000 -0.1172835 -0.0000000 -0.9415556 0.0000000 -0.1375161 0.0000000 -1.5200040 64 F -1.5917506 -0.0000000 0.0406928 -0.0000000 -0.9754643 0.0000000 0.0595937 0.0000000 -0.9570352 65 F -1.1214330 -0.0000000 -0.0023425 -0.0000000 -1.1244473 0.0000000 -0.0032400 0.0000000 -1.0949402 66 F -1.1168771 -0.0000000 -0.0112535 -0.0000000 -1.0930291 0.0000000 -0.0152534 0.0000000 -1.1133808 67 F -0.9288594 -0.1062706 -0.0362685 -0.0966338 -1.5721243 -0.1780080 -0.0428756 -0.1838388 -0.9480785 68 F -1.1214330 -0.0000000 0.0023425 -0.0000000 -1.1244473 0.0000000 0.0032400 0.0000000 -1.0949402 69 F -0.9288594 0.1062706 -0.0362685 0.0966338 -1.5721243 0.1780080 -0.0428756 0.1838388 -0.9480785 70 F -0.9288594 0.1062706 0.0362685 0.0966338 -1.5721243 -0.1780080 0.0428756 -0.1838388 -0.9480785 71 F -0.9830206 -0.0912145 0.1427927 -0.0905054 -1.1490785 0.2101743 0.1401586 0.1870903 -1.2554781 72 F -1.5917506 -0.0000000 0.0406928 -0.0000000 -0.9754643 0.0000000 0.0595937 0.0000000 -0.9570352 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6194 Number of blocks in projector: 6194 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: 1696 Use submatrix version of eigh solver. (1) Block: 500 / 1696 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1696 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1696 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1696 / 1696 (1) 174 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 902 / 902 (1) 390 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 902 / 902 (1) 390 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 902 / 902 (1) 390 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 896 / 896 (1) 388 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 896 / 896 (1) 388 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6194, 6108), data: False |-- (896, 888), data: False |-- (896, 8), data: (896, 16) @ (16, 8) |-- (396, 388), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (896, 888), data: False |-- (896, 8), data: (896, 16) @ (16, 8) |-- (396, 388), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (902, 888), data: False |-- (902, 12), data: (902, 26) @ (26, 12) |-- (402, 390), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (902, 888), data: False |-- (902, 12), data: (902, 26) @ (26, 12) |-- (402, 390), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (902, 888), data: False |-- (902, 12), data: (902, 26) @ (26, 12) |-- (402, 390), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1696, 1668), data: False |-- (1696, 70), data: (1696, 98) @ (98, 70) |-- (196, 174), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 232), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 222), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 222), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 1120 - Time: 4.249 Solver_block: 200 / 1120 - Time: 4.084 Solver_block: 300 / 1120 - Time: 1.760 Solver_block: 400 / 1120 - Time: 2.140 Solver_block: 500 / 1120 - Time: 4.495 Solver_block: 600 / 1120 - Time: 1.833 Solver_block: 700 / 1120 - Time: 2.590 Solver_block: 800 / 1120 - Time: 1.923 Solver_block: 900 / 1120 - Time: 1.929 Solver_block: 1000 / 1120 - Time: 2.001 Solver_block: 1100 / 1120 - Time: 1.888 Solver_block: 1120 / 1120 - Time: 0.566 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 30.318 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6194 Number of blocks in projector: 6194 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: 1696 Use submatrix version of eigh solver. (1) Block: 500 / 1696 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1696 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1696 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1696 / 1696 (1) 174 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 902 / 902 (1) 390 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 902 / 902 (1) 390 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 902 Use submatrix version of eigh solver. (1) Block: 500 / 902 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 902 / 902 (1) 390 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 896 / 896 (1) 388 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 896 / 896 (1) 388 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6194, 6108), data: False |-- (896, 888), data: False |-- (896, 8), data: (896, 16) @ (16, 8) |-- (396, 388), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (896, 888), data: False |-- (896, 8), data: (896, 16) @ (16, 8) |-- (396, 388), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (902, 888), data: False |-- (902, 12), data: (902, 26) @ (26, 12) |-- (402, 390), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (902, 888), data: False |-- (902, 12), data: (902, 26) @ (26, 12) |-- (402, 390), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (902, 888), data: False |-- (902, 12), data: (902, 26) @ (26, 12) |-- (402, 390), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1696, 1668), data: False |-- (1696, 70), data: (1696, 98) @ (98, 70) |-- (196, 174), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 232), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 222), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 222), data: True |-- (250, 224), 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 13:47:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:47:23]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 20.594895940000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.777917480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.894540560000002 Atomic positions (fractional): 1 K 0.04293290714725 0.52144729515400 0.25133676343502 39.098 2 K 0.28281346284175 0.52603962820709 0.92804813238482 39.098 3 K 0.63915621089121 0.25000000000000 0.56360102066878 39.098 4 K 0.36084378910879 0.75000000000000 0.43639897933122 39.098 5 K 0.71718653715825 0.47396037179291 0.07195186761517 39.098 6 K 0.21718653715825 0.47396037179291 0.42804813238482 39.098 7 K 0.13915621089121 0.25000000000000 0.93639897933122 39.098 8 K 0.04293290714725 0.97855270484600 0.25133676343502 39.098 9 K 0.71718653715825 0.02603962820709 0.07195186761517 39.098 10 K 0.86084378910879 0.75000000000000 0.06360102066878 39.098 11 K 0.45706709285275 0.47855270484600 0.75133676343502 39.098 12 K 0.78281346284175 0.52603962820709 0.57195186761518 39.098 13 K 0.95706709285275 0.02144729515400 0.74866323656498 39.098 14 K 0.28281346284175 0.97396037179291 0.92804813238482 39.098 15 K 0.95706709285275 0.47855270484600 0.74866323656498 39.098 16 K 0.45706709285275 0.02144729515400 0.75133676343502 39.098 17 K 0.54293290714725 0.52144729515400 0.24866323656498 39.098 18 K 0.78281346284175 0.97396037179291 0.57195186761518 39.098 19 K 0.54293290714725 0.97855270484600 0.24866323656498 39.098 20 K 0.21718653715825 0.02603962820709 0.42804813238482 39.098 21 Li 0.57739108986397 0.25000000000000 0.97047193814440 6.941 22 Li 0.67274935065406 0.75000000000000 0.34180900577220 6.941 23 Li 0.82725064934594 0.25000000000000 0.84180900577220 6.941 24 Li 0.32725064934594 0.25000000000000 0.65819099422780 6.941 25 Li 0.92260891013603 0.75000000000000 0.47047193814439 6.941 26 Li 0.17274935065406 0.75000000000000 0.15819099422780 6.941 27 Li 0.07739108986397 0.25000000000000 0.52952806185560 6.941 28 Li 0.42260891013603 0.75000000000000 0.02952806185561 6.941 29 Nd 0.10694558301715 0.75000000000000 0.73773932980044 144.242 30 Nd 0.60694558301715 0.75000000000000 0.76226067019956 144.242 31 Nd 0.89305441698285 0.25000000000000 0.26226067019956 144.242 32 Nd 0.39305441698285 0.25000000000000 0.23773932980044 144.242 33 F 0.49103466497200 0.25000000000000 0.04652121033576 18.998 34 F 0.24096125612898 0.25000000000000 0.70950287276214 18.998 35 F 0.14681405671704 0.92427494289606 0.00097987601180 18.998 36 F 0.13106898566767 0.75000000000000 0.39476428670616 18.998 37 F 0.35318594328296 0.07572505710394 0.50097987601180 18.998 38 F 0.86893101433233 0.25000000000000 0.60523571329384 18.998 39 F 0.50896533502800 0.75000000000000 0.95347878966424 18.998 40 F 0.85318594328296 0.07572505710394 0.99902012398820 18.998 41 F 0.75903874387102 0.75000000000000 0.29049712723786 18.998 42 F 0.71886867371300 0.75000000000000 0.80777504407297 18.998 43 F 0.35318594328296 0.42427494289606 0.50097987601180 18.998 44 F 0.36893101433233 0.25000000000000 0.89476428670616 18.998 45 F 0.41005809841100 0.95982687263890 0.15507518380432 18.998 46 F 0.64681405671704 0.57572505710394 0.49902012398820 18.998 47 F 0.41005809841100 0.54017312736110 0.15507518380432 18.998 48 F 0.62628993753193 0.25000000000000 0.18760425367458 18.998 49 F 0.99103466497200 0.25000000000000 0.45347878966423 18.998 50 F 0.25903874387102 0.75000000000000 0.20950287276214 18.998 51 F 0.51897812170334 0.75000000000000 0.54419628608026 18.998 52 F 0.12628993753193 0.25000000000000 0.31239574632542 18.998 53 F 0.08994190158900 0.04017312736110 0.65507518380432 18.998 54 F 0.91005809841100 0.54017312736110 0.34492481619568 18.998 55 F 0.48102187829666 0.25000000000000 0.45580371391974 18.998 56 F 0.58994190158900 0.45982687263890 0.84492481619568 18.998 57 F 0.28113132628700 0.25000000000000 0.19222495592703 18.998 58 F 0.00896533502800 0.75000000000000 0.54652121033576 18.998 59 F 0.85318594328296 0.42427494289606 0.99902012398820 18.998 60 F 0.98102187829666 0.25000000000000 0.04419628608026 18.998 61 F 0.01897812170334 0.75000000000000 0.95580371391974 18.998 62 F 0.14681405671704 0.57572505710394 0.00097987601180 18.998 63 F 0.63106898566767 0.75000000000000 0.10523571329384 18.998 64 F 0.21886867371300 0.75000000000000 0.69222495592703 18.998 65 F 0.37371006246807 0.75000000000000 0.81239574632542 18.998 66 F 0.74096125612898 0.25000000000000 0.79049712723786 18.998 67 F 0.08994190158900 0.45982687263890 0.65507518380432 18.998 68 F 0.87371006246807 0.75000000000000 0.68760425367458 18.998 69 F 0.91005809841100 0.95982687263890 0.34492481619568 18.998 70 F 0.58994190158900 0.04017312736110 0.84492481619568 18.998 71 F 0.64681405671704 0.92427494289606 0.49902012398820 18.998 72 F 0.78113132628700 0.25000000000000 0.30777504407297 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.594895940000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.777917480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.789081120000004 Atomic positions (fractional): 1 K 0.04293290714725 0.52144729515400 0.12566838171751 39.098 > 1 2 K 0.04293290714725 0.52144729515400 0.62566838171751 39.098 > 1 3 K 0.28281346284175 0.52603962820709 0.46402406619241 39.098 > 3 4 K 0.28281346284175 0.52603962820709 0.96402406619241 39.098 > 3 5 K 0.63915621089121 0.25000000000000 0.28180051033439 39.098 > 5 6 K 0.63915621089121 0.25000000000000 0.78180051033439 39.098 > 5 7 K 0.36084378910879 0.75000000000000 0.21819948966561 39.098 > 7 8 K 0.36084378910879 0.75000000000000 0.71819948966561 39.098 > 7 9 K 0.71718653715825 0.47396037179291 0.03597593380759 39.098 > 9 10 K 0.71718653715825 0.47396037179291 0.53597593380759 39.098 > 9 11 K 0.21718653715825 0.47396037179291 0.21402406619241 39.098 > 11 12 K 0.21718653715825 0.47396037179291 0.71402406619241 39.098 > 11 13 K 0.13915621089121 0.25000000000000 0.46819948966561 39.098 > 13 14 K 0.13915621089121 0.25000000000000 0.96819948966561 39.098 > 13 15 K 0.04293290714725 0.97855270484600 0.12566838171751 39.098 > 15 16 K 0.04293290714725 0.97855270484600 0.62566838171751 39.098 > 15 17 K 0.71718653715825 0.02603962820709 0.03597593380759 39.098 > 17 18 K 0.71718653715825 0.02603962820709 0.53597593380759 39.098 > 17 19 K 0.86084378910879 0.75000000000000 0.03180051033439 39.098 > 19 20 K 0.86084378910879 0.75000000000000 0.53180051033439 39.098 > 19 21 K 0.45706709285275 0.47855270484600 0.37566838171751 39.098 > 21 22 K 0.45706709285275 0.47855270484600 0.87566838171751 39.098 > 21 23 K 0.78281346284175 0.52603962820709 0.28597593380759 39.098 > 23 24 K 0.78281346284175 0.52603962820709 0.78597593380759 39.098 > 23 25 K 0.95706709285275 0.02144729515400 0.37433161828249 39.098 > 25 26 K 0.95706709285275 0.02144729515400 0.87433161828249 39.098 > 25 27 K 0.28281346284175 0.97396037179291 0.46402406619241 39.098 > 27 28 K 0.28281346284175 0.97396037179291 0.96402406619241 39.098 > 27 29 K 0.95706709285275 0.47855270484600 0.37433161828249 39.098 > 29 30 K 0.95706709285275 0.47855270484600 0.87433161828249 39.098 > 29 31 K 0.45706709285275 0.02144729515400 0.37566838171751 39.098 > 31 32 K 0.45706709285275 0.02144729515400 0.87566838171751 39.098 > 31 33 K 0.54293290714725 0.52144729515400 0.12433161828249 39.098 > 33 34 K 0.54293290714725 0.52144729515400 0.62433161828249 39.098 > 33 35 K 0.78281346284175 0.97396037179291 0.28597593380759 39.098 > 35 36 K 0.78281346284175 0.97396037179291 0.78597593380759 39.098 > 35 37 K 0.54293290714725 0.97855270484600 0.12433161828249 39.098 > 37 38 K 0.54293290714725 0.97855270484600 0.62433161828249 39.098 > 37 39 K 0.21718653715825 0.02603962820709 0.21402406619241 39.098 > 39 40 K 0.21718653715825 0.02603962820709 0.71402406619241 39.098 > 39 41 Li 0.57739108986397 0.25000000000000 0.48523596907220 6.941 > 41 42 Li 0.57739108986397 0.25000000000000 0.98523596907220 6.941 > 41 43 Li 0.67274935065406 0.75000000000000 0.17090450288610 6.941 > 43 44 Li 0.67274935065406 0.75000000000000 0.67090450288610 6.941 > 43 45 Li 0.82725064934594 0.25000000000000 0.42090450288610 6.941 > 45 46 Li 0.82725064934594 0.25000000000000 0.92090450288610 6.941 > 45 47 Li 0.32725064934594 0.25000000000000 0.32909549711390 6.941 > 47 48 Li 0.32725064934594 0.25000000000000 0.82909549711390 6.941 > 47 49 Li 0.92260891013603 0.75000000000000 0.23523596907220 6.941 > 49 50 Li 0.92260891013603 0.75000000000000 0.73523596907220 6.941 > 49 51 Li 0.17274935065406 0.75000000000000 0.07909549711390 6.941 > 51 52 Li 0.17274935065406 0.75000000000000 0.57909549711390 6.941 > 51 53 Li 0.07739108986397 0.25000000000000 0.26476403092780 6.941 > 53 54 Li 0.07739108986397 0.25000000000000 0.76476403092780 6.941 > 53 55 Li 0.42260891013603 0.75000000000000 0.01476403092780 6.941 > 55 56 Li 0.42260891013603 0.75000000000000 0.51476403092780 6.941 > 55 57 Nd 0.10694558301715 0.75000000000000 0.36886966490022 144.242 > 57 58 Nd 0.10694558301715 0.75000000000000 0.86886966490022 144.242 > 57 59 Nd 0.60694558301715 0.75000000000000 0.38113033509978 144.242 > 59 60 Nd 0.60694558301715 0.75000000000000 0.88113033509978 144.242 > 59 61 Nd 0.89305441698285 0.25000000000000 0.13113033509978 144.242 > 61 62 Nd 0.89305441698285 0.25000000000000 0.63113033509978 144.242 > 61 63 Nd 0.39305441698285 0.25000000000000 0.11886966490022 144.242 > 63 64 Nd 0.39305441698285 0.25000000000000 0.61886966490022 144.242 > 63 65 F 0.49103466497200 0.25000000000000 0.02326060516788 18.998 > 65 66 F 0.49103466497200 0.25000000000000 0.52326060516788 18.998 > 65 67 F 0.24096125612898 0.25000000000000 0.35475143638107 18.998 > 67 68 F 0.24096125612898 0.25000000000000 0.85475143638107 18.998 > 67 69 F 0.14681405671704 0.92427494289606 0.00048993800590 18.998 > 69 70 F 0.14681405671704 0.92427494289606 0.50048993800590 18.998 > 69 71 F 0.13106898566767 0.75000000000000 0.19738214335308 18.998 > 71 72 F 0.13106898566767 0.75000000000000 0.69738214335308 18.998 > 71 73 F 0.35318594328296 0.07572505710394 0.25048993800590 18.998 > 73 74 F 0.35318594328296 0.07572505710394 0.75048993800590 18.998 > 73 75 F 0.86893101433233 0.25000000000000 0.30261785664692 18.998 > 75 76 F 0.86893101433233 0.25000000000000 0.80261785664692 18.998 > 75 77 F 0.50896533502800 0.75000000000000 0.47673939483212 18.998 > 77 78 F 0.50896533502800 0.75000000000000 0.97673939483212 18.998 > 77 79 F 0.85318594328296 0.07572505710394 0.49951006199410 18.998 > 79 80 F 0.85318594328296 0.07572505710394 0.99951006199410 18.998 > 79 81 F 0.75903874387102 0.75000000000000 0.14524856361893 18.998 > 81 82 F 0.75903874387102 0.75000000000000 0.64524856361893 18.998 > 81 83 F 0.71886867371300 0.75000000000000 0.40388752203648 18.998 > 83 84 F 0.71886867371300 0.75000000000000 0.90388752203648 18.998 > 83 85 F 0.35318594328296 0.42427494289606 0.25048993800590 18.998 > 85 86 F 0.35318594328296 0.42427494289606 0.75048993800590 18.998 > 85 87 F 0.36893101433233 0.25000000000000 0.44738214335308 18.998 > 87 88 F 0.36893101433233 0.25000000000000 0.94738214335308 18.998 > 87 89 F 0.41005809841100 0.95982687263890 0.07753759190216 18.998 > 89 90 F 0.41005809841100 0.95982687263890 0.57753759190216 18.998 > 89 91 F 0.64681405671704 0.57572505710394 0.24951006199410 18.998 > 91 92 F 0.64681405671704 0.57572505710394 0.74951006199410 18.998 > 91 93 F 0.41005809841100 0.54017312736110 0.07753759190216 18.998 > 93 94 F 0.41005809841100 0.54017312736110 0.57753759190216 18.998 > 93 95 F 0.62628993753193 0.25000000000000 0.09380212683729 18.998 > 95 96 F 0.62628993753193 0.25000000000000 0.59380212683729 18.998 > 95 97 F 0.99103466497200 0.25000000000000 0.22673939483212 18.998 > 97 98 F 0.99103466497200 0.25000000000000 0.72673939483212 18.998 > 97 99 F 0.25903874387102 0.75000000000000 0.10475143638107 18.998 > 99 100 F 0.25903874387102 0.75000000000000 0.60475143638107 18.998 > 99 101 F 0.51897812170334 0.75000000000000 0.27209814304013 18.998 > 101 102 F 0.51897812170334 0.75000000000000 0.77209814304013 18.998 > 101 103 F 0.12628993753193 0.25000000000000 0.15619787316271 18.998 > 103 104 F 0.12628993753193 0.25000000000000 0.65619787316271 18.998 > 103 105 F 0.08994190158900 0.04017312736110 0.32753759190216 18.998 > 105 106 F 0.08994190158900 0.04017312736110 0.82753759190216 18.998 > 105 107 F 0.91005809841100 0.54017312736110 0.17246240809784 18.998 > 107 108 F 0.91005809841100 0.54017312736110 0.67246240809784 18.998 > 107 109 F 0.48102187829666 0.25000000000000 0.22790185695987 18.998 > 109 110 F 0.48102187829666 0.25000000000000 0.72790185695987 18.998 > 109 111 F 0.58994190158900 0.45982687263890 0.42246240809784 18.998 > 111 112 F 0.58994190158900 0.45982687263890 0.92246240809784 18.998 > 111 113 F 0.28113132628700 0.25000000000000 0.09611247796352 18.998 > 113 114 F 0.28113132628700 0.25000000000000 0.59611247796352 18.998 > 113 115 F 0.00896533502800 0.75000000000000 0.27326060516788 18.998 > 115 116 F 0.00896533502800 0.75000000000000 0.77326060516788 18.998 > 115 117 F 0.85318594328296 0.42427494289606 0.49951006199410 18.998 > 117 118 F 0.85318594328296 0.42427494289606 0.99951006199410 18.998 > 117 119 F 0.98102187829666 0.25000000000000 0.02209814304013 18.998 > 119 120 F 0.98102187829666 0.25000000000000 0.52209814304013 18.998 > 119 121 F 0.01897812170334 0.75000000000000 0.47790185695987 18.998 > 121 122 F 0.01897812170334 0.75000000000000 0.97790185695987 18.998 > 121 123 F 0.14681405671704 0.57572505710394 0.00048993800590 18.998 > 123 124 F 0.14681405671704 0.57572505710394 0.50048993800590 18.998 > 123 125 F 0.63106898566767 0.75000000000000 0.05261785664692 18.998 > 125 126 F 0.63106898566767 0.75000000000000 0.55261785664692 18.998 > 125 127 F 0.21886867371300 0.75000000000000 0.34611247796352 18.998 > 127 128 F 0.21886867371300 0.75000000000000 0.84611247796352 18.998 > 127 129 F 0.37371006246807 0.75000000000000 0.40619787316271 18.998 > 129 130 F 0.37371006246807 0.75000000000000 0.90619787316271 18.998 > 129 131 F 0.74096125612898 0.25000000000000 0.39524856361893 18.998 > 131 132 F 0.74096125612898 0.25000000000000 0.89524856361893 18.998 > 131 133 F 0.08994190158900 0.45982687263890 0.32753759190216 18.998 > 133 134 F 0.08994190158900 0.45982687263890 0.82753759190216 18.998 > 133 135 F 0.87371006246807 0.75000000000000 0.34380212683729 18.998 > 135 136 F 0.87371006246807 0.75000000000000 0.84380212683729 18.998 > 135 137 F 0.91005809841100 0.95982687263890 0.17246240809784 18.998 > 137 138 F 0.91005809841100 0.95982687263890 0.67246240809784 18.998 > 137 139 F 0.58994190158900 0.04017312736110 0.42246240809784 18.998 > 139 140 F 0.58994190158900 0.04017312736110 0.92246240809784 18.998 > 139 141 F 0.64681405671704 0.92427494289606 0.24951006199410 18.998 > 141 142 F 0.64681405671704 0.92427494289606 0.74951006199410 18.998 > 141 143 F 0.78113132628700 0.25000000000000 0.15388752203648 18.998 > 143 144 F 0.78113132628700 0.25000000000000 0.65388752203648 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1375338 0.0000000 0.0000000 0.0000000 2.1561878 0.0000000 0.0000000 0.0000000 2.1457581 -------------------------- Born effective charges -------------------------- 1 K 1.1456276 0.1024908 -0.0268872 0.0903743 1.1867996 -0.0118269 -0.0236022 -0.0089290 1.1793183 2 K 1.1954264 -0.0893093 0.0428373 -0.0656065 1.2362540 -0.0009547 0.0340324 -0.0108477 1.1032154 3 K 1.0713582 -0.0000000 0.0301667 -0.0000000 1.3150694 0.0000000 0.0498779 0.0000000 1.1899606 4 K 1.0713582 -0.0000000 0.0301667 -0.0000000 1.3150694 0.0000000 0.0498779 0.0000000 1.1899606 5 K 1.1954264 -0.0893093 0.0428373 -0.0656065 1.2362540 -0.0009547 0.0340324 -0.0108477 1.1032154 6 K 1.1954264 -0.0893093 -0.0428373 -0.0656065 1.2362540 0.0009547 -0.0340324 0.0108477 1.1032154 7 K 1.0713582 -0.0000000 -0.0301667 -0.0000000 1.3150694 0.0000000 -0.0498779 0.0000000 1.1899606 8 K 1.1456276 -0.1024908 -0.0268872 -0.0903743 1.1867996 0.0118269 -0.0236022 0.0089290 1.1793183 9 K 1.1954264 0.0893093 0.0428373 0.0656065 1.2362540 0.0009547 0.0340324 0.0108477 1.1032154 10 K 1.0713582 -0.0000000 -0.0301667 -0.0000000 1.3150694 0.0000000 -0.0498779 0.0000000 1.1899606 11 K 1.1456276 0.1024908 0.0268872 0.0903743 1.1867996 0.0118269 0.0236022 0.0089290 1.1793183 12 K 1.1954264 -0.0893093 -0.0428373 -0.0656065 1.2362540 0.0009547 -0.0340324 0.0108477 1.1032154 13 K 1.1456276 -0.1024908 -0.0268872 -0.0903743 1.1867996 0.0118269 -0.0236022 0.0089290 1.1793183 14 K 1.1954264 0.0893093 0.0428373 0.0656065 1.2362540 0.0009547 0.0340324 0.0108477 1.1032154 15 K 1.1456276 0.1024908 -0.0268872 0.0903743 1.1867996 -0.0118269 -0.0236022 -0.0089290 1.1793183 16 K 1.1456276 -0.1024908 0.0268872 -0.0903743 1.1867996 -0.0118269 0.0236022 -0.0089290 1.1793183 17 K 1.1456276 0.1024908 0.0268872 0.0903743 1.1867996 0.0118269 0.0236022 0.0089290 1.1793183 18 K 1.1954264 0.0893093 -0.0428373 0.0656065 1.2362540 -0.0009547 -0.0340324 -0.0108477 1.1032154 19 K 1.1456276 -0.1024908 0.0268872 -0.0903743 1.1867996 -0.0118269 0.0236022 -0.0089290 1.1793183 20 K 1.1954264 0.0893093 -0.0428373 0.0656065 1.2362540 -0.0009547 -0.0340324 -0.0108477 1.1032154 21 Li 1.0046023 -0.0000000 -0.0257735 -0.0000000 1.1266767 0.0000000 -0.0506807 0.0000000 0.9624078 22 Li 0.9619667 -0.0000000 -0.0360182 -0.0000000 0.8404963 0.0000000 -0.0147683 0.0000000 1.1029814 23 Li 0.9619667 -0.0000000 0.0360182 -0.0000000 0.8404963 0.0000000 0.0147683 0.0000000 1.1029814 24 Li 0.9619667 -0.0000000 -0.0360182 -0.0000000 0.8404963 0.0000000 -0.0147683 0.0000000 1.1029814 25 Li 1.0046023 -0.0000000 0.0257735 -0.0000000 1.1266767 0.0000000 0.0506807 0.0000000 0.9624078 26 Li 0.9619667 -0.0000000 0.0360182 -0.0000000 0.8404963 0.0000000 0.0147683 0.0000000 1.1029814 27 Li 1.0046023 -0.0000000 0.0257735 -0.0000000 1.1266767 0.0000000 0.0506807 0.0000000 0.9624078 28 Li 1.0046023 -0.0000000 -0.0257735 -0.0000000 1.1266767 0.0000000 -0.0506807 0.0000000 0.9624078 29 Nd 3.5440951 -0.0000000 0.0897966 -0.0000000 3.3914607 0.0000000 0.0788039 0.0000000 3.6253421 30 Nd 3.5440951 -0.0000000 -0.0897966 -0.0000000 3.3914607 0.0000000 -0.0788039 0.0000000 3.6253421 31 Nd 3.5440951 -0.0000000 0.0897966 -0.0000000 3.3914607 0.0000000 0.0788039 0.0000000 3.6253421 32 Nd 3.5440951 -0.0000000 -0.0897966 -0.0000000 3.3914607 0.0000000 -0.0788039 0.0000000 3.6253421 33 F -1.3642600 -0.0000000 0.2545430 -0.0000000 -0.9724967 0.0000000 0.2622096 0.0000000 -1.0875008 34 F -1.1168771 -0.0000000 0.0112535 -0.0000000 -1.0930291 0.0000000 0.0152534 0.0000000 -1.1133808 35 F -0.9830206 -0.0912145 -0.1427927 -0.0905054 -1.1490785 -0.2101743 -0.1401586 -0.1870903 -1.2554781 36 F -0.9616254 -0.0000000 0.1172835 -0.0000000 -0.9415556 0.0000000 0.1375161 0.0000000 -1.5200040 37 F -0.9830206 -0.0912145 0.1427927 -0.0905054 -1.1490785 0.2101743 0.1401586 0.1870903 -1.2554781 38 F -0.9616254 -0.0000000 0.1172835 -0.0000000 -0.9415556 0.0000000 0.1375161 0.0000000 -1.5200040 39 F -1.3642600 -0.0000000 0.2545430 -0.0000000 -0.9724967 0.0000000 0.2622096 0.0000000 -1.0875008 40 F -0.9830206 -0.0912145 -0.1427927 -0.0905054 -1.1490785 -0.2101743 -0.1401586 -0.1870903 -1.2554781 41 F -1.1168771 -0.0000000 0.0112535 -0.0000000 -1.0930291 0.0000000 0.0152534 0.0000000 -1.1133808 42 F -1.5917506 -0.0000000 -0.0406928 -0.0000000 -0.9754643 0.0000000 -0.0595937 0.0000000 -0.9570352 43 F -0.9830206 0.0912145 0.1427927 0.0905054 -1.1490785 -0.2101743 0.1401586 -0.1870903 -1.2554781 44 F -0.9616254 -0.0000000 -0.1172835 -0.0000000 -0.9415556 0.0000000 -0.1375161 0.0000000 -1.5200040 45 F -0.9288594 0.1062706 0.0362685 0.0966338 -1.5721243 -0.1780080 0.0428756 -0.1838388 -0.9480785 46 F -0.9830206 0.0912145 0.1427927 0.0905054 -1.1490785 -0.2101743 0.1401586 -0.1870903 -1.2554781 47 F -0.9288594 -0.1062706 0.0362685 -0.0966338 -1.5721243 0.1780080 0.0428756 0.1838388 -0.9480785 48 F -1.1214330 -0.0000000 -0.0023425 -0.0000000 -1.1244473 0.0000000 -0.0032400 0.0000000 -1.0949402 49 F -1.3642600 -0.0000000 -0.2545430 -0.0000000 -0.9724967 0.0000000 -0.2622096 0.0000000 -1.0875008 50 F -1.1168771 -0.0000000 -0.0112535 -0.0000000 -1.0930291 0.0000000 -0.0152534 0.0000000 -1.1133808 51 F -1.2844240 -0.0000000 -0.2968392 -0.0000000 -0.9704119 0.0000000 -0.2901936 0.0000000 -1.2657848 52 F -1.1214330 -0.0000000 0.0023425 -0.0000000 -1.1244473 0.0000000 0.0032400 0.0000000 -1.0949402 53 F -0.9288594 0.1062706 -0.0362685 0.0966338 -1.5721243 0.1780080 -0.0428756 0.1838388 -0.9480785 54 F -0.9288594 -0.1062706 -0.0362685 -0.0966338 -1.5721243 -0.1780080 -0.0428756 -0.1838388 -0.9480785 55 F -1.2844240 -0.0000000 -0.2968392 -0.0000000 -0.9704119 0.0000000 -0.2901936 0.0000000 -1.2657848 56 F -0.9288594 -0.1062706 0.0362685 -0.0966338 -1.5721243 0.1780080 0.0428756 0.1838388 -0.9480785 57 F -1.5917506 -0.0000000 -0.0406928 -0.0000000 -0.9754643 0.0000000 -0.0595937 0.0000000 -0.9570352 58 F -1.3642600 -0.0000000 -0.2545430 -0.0000000 -0.9724967 0.0000000 -0.2622096 0.0000000 -1.0875008 59 F -0.9830206 0.0912145 -0.1427927 0.0905054 -1.1490785 0.2101743 -0.1401586 0.1870903 -1.2554781 60 F -1.2844240 -0.0000000 0.2968392 -0.0000000 -0.9704119 0.0000000 0.2901936 0.0000000 -1.2657848 61 F -1.2844240 -0.0000000 0.2968392 -0.0000000 -0.9704119 0.0000000 0.2901936 0.0000000 -1.2657848 62 F -0.9830206 0.0912145 -0.1427927 0.0905054 -1.1490785 0.2101743 -0.1401586 0.1870903 -1.2554781 63 F -0.9616254 -0.0000000 -0.1172835 -0.0000000 -0.9415556 0.0000000 -0.1375161 0.0000000 -1.5200040 64 F -1.5917506 -0.0000000 0.0406928 -0.0000000 -0.9754643 0.0000000 0.0595937 0.0000000 -0.9570352 65 F -1.1214330 -0.0000000 -0.0023425 -0.0000000 -1.1244473 0.0000000 -0.0032400 0.0000000 -1.0949402 66 F -1.1168771 -0.0000000 -0.0112535 -0.0000000 -1.0930291 0.0000000 -0.0152534 0.0000000 -1.1133808 67 F -0.9288594 -0.1062706 -0.0362685 -0.0966338 -1.5721243 -0.1780080 -0.0428756 -0.1838388 -0.9480785 68 F -1.1214330 -0.0000000 0.0023425 -0.0000000 -1.1244473 0.0000000 0.0032400 0.0000000 -1.0949402 69 F -0.9288594 0.1062706 -0.0362685 0.0966338 -1.5721243 0.1780080 -0.0428756 0.1838388 -0.9480785 70 F -0.9288594 0.1062706 0.0362685 0.0966338 -1.5721243 -0.1780080 0.0428756 -0.1838388 -0.9480785 71 F -0.9830206 -0.0912145 0.1427927 -0.0905054 -1.1490785 0.2101743 0.1401586 0.1870903 -1.2554781 72 F -1.5917506 -0.0000000 0.0406928 -0.0000000 -0.9754643 0.0000000 0.0595937 0.0000000 -0.9570352 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 71, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 83, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 95, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:48:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:49:00]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 20.594895940000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.777917480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.894540560000002 Atomic positions (fractional): 1 K 0.04293290714725 0.52144729515400 0.25133676343502 39.098 2 K 0.28281346284175 0.52603962820709 0.92804813238482 39.098 3 K 0.63915621089121 0.25000000000000 0.56360102066878 39.098 4 K 0.36084378910879 0.75000000000000 0.43639897933122 39.098 5 K 0.71718653715825 0.47396037179291 0.07195186761517 39.098 6 K 0.21718653715825 0.47396037179291 0.42804813238482 39.098 7 K 0.13915621089121 0.25000000000000 0.93639897933122 39.098 8 K 0.04293290714725 0.97855270484600 0.25133676343502 39.098 9 K 0.71718653715825 0.02603962820709 0.07195186761517 39.098 10 K 0.86084378910879 0.75000000000000 0.06360102066878 39.098 11 K 0.45706709285275 0.47855270484600 0.75133676343502 39.098 12 K 0.78281346284175 0.52603962820709 0.57195186761518 39.098 13 K 0.95706709285275 0.02144729515400 0.74866323656498 39.098 14 K 0.28281346284175 0.97396037179291 0.92804813238482 39.098 15 K 0.95706709285275 0.47855270484600 0.74866323656498 39.098 16 K 0.45706709285275 0.02144729515400 0.75133676343502 39.098 17 K 0.54293290714725 0.52144729515400 0.24866323656498 39.098 18 K 0.78281346284175 0.97396037179291 0.57195186761518 39.098 19 K 0.54293290714725 0.97855270484600 0.24866323656498 39.098 20 K 0.21718653715825 0.02603962820709 0.42804813238482 39.098 21 Li 0.57739108986397 0.25000000000000 0.97047193814440 6.941 22 Li 0.67274935065406 0.75000000000000 0.34180900577220 6.941 23 Li 0.82725064934594 0.25000000000000 0.84180900577220 6.941 24 Li 0.32725064934594 0.25000000000000 0.65819099422780 6.941 25 Li 0.92260891013603 0.75000000000000 0.47047193814439 6.941 26 Li 0.17274935065406 0.75000000000000 0.15819099422780 6.941 27 Li 0.07739108986397 0.25000000000000 0.52952806185560 6.941 28 Li 0.42260891013603 0.75000000000000 0.02952806185561 6.941 29 Nd 0.10694558301715 0.75000000000000 0.73773932980044 144.242 30 Nd 0.60694558301715 0.75000000000000 0.76226067019956 144.242 31 Nd 0.89305441698285 0.25000000000000 0.26226067019956 144.242 32 Nd 0.39305441698285 0.25000000000000 0.23773932980044 144.242 33 F 0.49103466497200 0.25000000000000 0.04652121033576 18.998 34 F 0.24096125612898 0.25000000000000 0.70950287276214 18.998 35 F 0.14681405671704 0.92427494289606 0.00097987601180 18.998 36 F 0.13106898566767 0.75000000000000 0.39476428670616 18.998 37 F 0.35318594328296 0.07572505710394 0.50097987601180 18.998 38 F 0.86893101433233 0.25000000000000 0.60523571329384 18.998 39 F 0.50896533502800 0.75000000000000 0.95347878966424 18.998 40 F 0.85318594328296 0.07572505710394 0.99902012398820 18.998 41 F 0.75903874387102 0.75000000000000 0.29049712723786 18.998 42 F 0.71886867371300 0.75000000000000 0.80777504407297 18.998 43 F 0.35318594328296 0.42427494289606 0.50097987601180 18.998 44 F 0.36893101433233 0.25000000000000 0.89476428670616 18.998 45 F 0.41005809841100 0.95982687263890 0.15507518380432 18.998 46 F 0.64681405671704 0.57572505710394 0.49902012398820 18.998 47 F 0.41005809841100 0.54017312736110 0.15507518380432 18.998 48 F 0.62628993753193 0.25000000000000 0.18760425367458 18.998 49 F 0.99103466497200 0.25000000000000 0.45347878966423 18.998 50 F 0.25903874387102 0.75000000000000 0.20950287276214 18.998 51 F 0.51897812170334 0.75000000000000 0.54419628608026 18.998 52 F 0.12628993753193 0.25000000000000 0.31239574632542 18.998 53 F 0.08994190158900 0.04017312736110 0.65507518380432 18.998 54 F 0.91005809841100 0.54017312736110 0.34492481619568 18.998 55 F 0.48102187829666 0.25000000000000 0.45580371391974 18.998 56 F 0.58994190158900 0.45982687263890 0.84492481619568 18.998 57 F 0.28113132628700 0.25000000000000 0.19222495592703 18.998 58 F 0.00896533502800 0.75000000000000 0.54652121033576 18.998 59 F 0.85318594328296 0.42427494289606 0.99902012398820 18.998 60 F 0.98102187829666 0.25000000000000 0.04419628608026 18.998 61 F 0.01897812170334 0.75000000000000 0.95580371391974 18.998 62 F 0.14681405671704 0.57572505710394 0.00097987601180 18.998 63 F 0.63106898566767 0.75000000000000 0.10523571329384 18.998 64 F 0.21886867371300 0.75000000000000 0.69222495592703 18.998 65 F 0.37371006246807 0.75000000000000 0.81239574632542 18.998 66 F 0.74096125612898 0.25000000000000 0.79049712723786 18.998 67 F 0.08994190158900 0.45982687263890 0.65507518380432 18.998 68 F 0.87371006246807 0.75000000000000 0.68760425367458 18.998 69 F 0.91005809841100 0.95982687263890 0.34492481619568 18.998 70 F 0.58994190158900 0.04017312736110 0.84492481619568 18.998 71 F 0.64681405671704 0.92427494289606 0.49902012398820 18.998 72 F 0.78113132628700 0.25000000000000 0.30777504407297 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.594895940000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.777917480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.789081120000004 Atomic positions (fractional): 1 K 0.04293290714725 0.52144729515400 0.12566838171751 39.098 > 1 2 K 0.04293290714725 0.52144729515400 0.62566838171751 39.098 > 1 3 K 0.28281346284175 0.52603962820709 0.46402406619241 39.098 > 3 4 K 0.28281346284175 0.52603962820709 0.96402406619241 39.098 > 3 5 K 0.63915621089121 0.25000000000000 0.28180051033439 39.098 > 5 6 K 0.63915621089121 0.25000000000000 0.78180051033439 39.098 > 5 7 K 0.36084378910879 0.75000000000000 0.21819948966561 39.098 > 7 8 K 0.36084378910879 0.75000000000000 0.71819948966561 39.098 > 7 9 K 0.71718653715825 0.47396037179291 0.03597593380759 39.098 > 9 10 K 0.71718653715825 0.47396037179291 0.53597593380759 39.098 > 9 11 K 0.21718653715825 0.47396037179291 0.21402406619241 39.098 > 11 12 K 0.21718653715825 0.47396037179291 0.71402406619241 39.098 > 11 13 K 0.13915621089121 0.25000000000000 0.46819948966561 39.098 > 13 14 K 0.13915621089121 0.25000000000000 0.96819948966561 39.098 > 13 15 K 0.04293290714725 0.97855270484600 0.12566838171751 39.098 > 15 16 K 0.04293290714725 0.97855270484600 0.62566838171751 39.098 > 15 17 K 0.71718653715825 0.02603962820709 0.03597593380759 39.098 > 17 18 K 0.71718653715825 0.02603962820709 0.53597593380759 39.098 > 17 19 K 0.86084378910879 0.75000000000000 0.03180051033439 39.098 > 19 20 K 0.86084378910879 0.75000000000000 0.53180051033439 39.098 > 19 21 K 0.45706709285275 0.47855270484600 0.37566838171751 39.098 > 21 22 K 0.45706709285275 0.47855270484600 0.87566838171751 39.098 > 21 23 K 0.78281346284175 0.52603962820709 0.28597593380759 39.098 > 23 24 K 0.78281346284175 0.52603962820709 0.78597593380759 39.098 > 23 25 K 0.95706709285275 0.02144729515400 0.37433161828249 39.098 > 25 26 K 0.95706709285275 0.02144729515400 0.87433161828249 39.098 > 25 27 K 0.28281346284175 0.97396037179291 0.46402406619241 39.098 > 27 28 K 0.28281346284175 0.97396037179291 0.96402406619241 39.098 > 27 29 K 0.95706709285275 0.47855270484600 0.37433161828249 39.098 > 29 30 K 0.95706709285275 0.47855270484600 0.87433161828249 39.098 > 29 31 K 0.45706709285275 0.02144729515400 0.37566838171751 39.098 > 31 32 K 0.45706709285275 0.02144729515400 0.87566838171751 39.098 > 31 33 K 0.54293290714725 0.52144729515400 0.12433161828249 39.098 > 33 34 K 0.54293290714725 0.52144729515400 0.62433161828249 39.098 > 33 35 K 0.78281346284175 0.97396037179291 0.28597593380759 39.098 > 35 36 K 0.78281346284175 0.97396037179291 0.78597593380759 39.098 > 35 37 K 0.54293290714725 0.97855270484600 0.12433161828249 39.098 > 37 38 K 0.54293290714725 0.97855270484600 0.62433161828249 39.098 > 37 39 K 0.21718653715825 0.02603962820709 0.21402406619241 39.098 > 39 40 K 0.21718653715825 0.02603962820709 0.71402406619241 39.098 > 39 41 Li 0.57739108986397 0.25000000000000 0.48523596907220 6.941 > 41 42 Li 0.57739108986397 0.25000000000000 0.98523596907220 6.941 > 41 43 Li 0.67274935065406 0.75000000000000 0.17090450288610 6.941 > 43 44 Li 0.67274935065406 0.75000000000000 0.67090450288610 6.941 > 43 45 Li 0.82725064934594 0.25000000000000 0.42090450288610 6.941 > 45 46 Li 0.82725064934594 0.25000000000000 0.92090450288610 6.941 > 45 47 Li 0.32725064934594 0.25000000000000 0.32909549711390 6.941 > 47 48 Li 0.32725064934594 0.25000000000000 0.82909549711390 6.941 > 47 49 Li 0.92260891013603 0.75000000000000 0.23523596907220 6.941 > 49 50 Li 0.92260891013603 0.75000000000000 0.73523596907220 6.941 > 49 51 Li 0.17274935065406 0.75000000000000 0.07909549711390 6.941 > 51 52 Li 0.17274935065406 0.75000000000000 0.57909549711390 6.941 > 51 53 Li 0.07739108986397 0.25000000000000 0.26476403092780 6.941 > 53 54 Li 0.07739108986397 0.25000000000000 0.76476403092780 6.941 > 53 55 Li 0.42260891013603 0.75000000000000 0.01476403092780 6.941 > 55 56 Li 0.42260891013603 0.75000000000000 0.51476403092780 6.941 > 55 57 Nd 0.10694558301715 0.75000000000000 0.36886966490022 144.242 > 57 58 Nd 0.10694558301715 0.75000000000000 0.86886966490022 144.242 > 57 59 Nd 0.60694558301715 0.75000000000000 0.38113033509978 144.242 > 59 60 Nd 0.60694558301715 0.75000000000000 0.88113033509978 144.242 > 59 61 Nd 0.89305441698285 0.25000000000000 0.13113033509978 144.242 > 61 62 Nd 0.89305441698285 0.25000000000000 0.63113033509978 144.242 > 61 63 Nd 0.39305441698285 0.25000000000000 0.11886966490022 144.242 > 63 64 Nd 0.39305441698285 0.25000000000000 0.61886966490022 144.242 > 63 65 F 0.49103466497200 0.25000000000000 0.02326060516788 18.998 > 65 66 F 0.49103466497200 0.25000000000000 0.52326060516788 18.998 > 65 67 F 0.24096125612898 0.25000000000000 0.35475143638107 18.998 > 67 68 F 0.24096125612898 0.25000000000000 0.85475143638107 18.998 > 67 69 F 0.14681405671704 0.92427494289606 0.00048993800590 18.998 > 69 70 F 0.14681405671704 0.92427494289606 0.50048993800590 18.998 > 69 71 F 0.13106898566767 0.75000000000000 0.19738214335308 18.998 > 71 72 F 0.13106898566767 0.75000000000000 0.69738214335308 18.998 > 71 73 F 0.35318594328296 0.07572505710394 0.25048993800590 18.998 > 73 74 F 0.35318594328296 0.07572505710394 0.75048993800590 18.998 > 73 75 F 0.86893101433233 0.25000000000000 0.30261785664692 18.998 > 75 76 F 0.86893101433233 0.25000000000000 0.80261785664692 18.998 > 75 77 F 0.50896533502800 0.75000000000000 0.47673939483212 18.998 > 77 78 F 0.50896533502800 0.75000000000000 0.97673939483212 18.998 > 77 79 F 0.85318594328296 0.07572505710394 0.49951006199410 18.998 > 79 80 F 0.85318594328296 0.07572505710394 0.99951006199410 18.998 > 79 81 F 0.75903874387102 0.75000000000000 0.14524856361893 18.998 > 81 82 F 0.75903874387102 0.75000000000000 0.64524856361893 18.998 > 81 83 F 0.71886867371300 0.75000000000000 0.40388752203648 18.998 > 83 84 F 0.71886867371300 0.75000000000000 0.90388752203648 18.998 > 83 85 F 0.35318594328296 0.42427494289606 0.25048993800590 18.998 > 85 86 F 0.35318594328296 0.42427494289606 0.75048993800590 18.998 > 85 87 F 0.36893101433233 0.25000000000000 0.44738214335308 18.998 > 87 88 F 0.36893101433233 0.25000000000000 0.94738214335308 18.998 > 87 89 F 0.41005809841100 0.95982687263890 0.07753759190216 18.998 > 89 90 F 0.41005809841100 0.95982687263890 0.57753759190216 18.998 > 89 91 F 0.64681405671704 0.57572505710394 0.24951006199410 18.998 > 91 92 F 0.64681405671704 0.57572505710394 0.74951006199410 18.998 > 91 93 F 0.41005809841100 0.54017312736110 0.07753759190216 18.998 > 93 94 F 0.41005809841100 0.54017312736110 0.57753759190216 18.998 > 93 95 F 0.62628993753193 0.25000000000000 0.09380212683729 18.998 > 95 96 F 0.62628993753193 0.25000000000000 0.59380212683729 18.998 > 95 97 F 0.99103466497200 0.25000000000000 0.22673939483212 18.998 > 97 98 F 0.99103466497200 0.25000000000000 0.72673939483212 18.998 > 97 99 F 0.25903874387102 0.75000000000000 0.10475143638107 18.998 > 99 100 F 0.25903874387102 0.75000000000000 0.60475143638107 18.998 > 99 101 F 0.51897812170334 0.75000000000000 0.27209814304013 18.998 > 101 102 F 0.51897812170334 0.75000000000000 0.77209814304013 18.998 > 101 103 F 0.12628993753193 0.25000000000000 0.15619787316271 18.998 > 103 104 F 0.12628993753193 0.25000000000000 0.65619787316271 18.998 > 103 105 F 0.08994190158900 0.04017312736110 0.32753759190216 18.998 > 105 106 F 0.08994190158900 0.04017312736110 0.82753759190216 18.998 > 105 107 F 0.91005809841100 0.54017312736110 0.17246240809784 18.998 > 107 108 F 0.91005809841100 0.54017312736110 0.67246240809784 18.998 > 107 109 F 0.48102187829666 0.25000000000000 0.22790185695987 18.998 > 109 110 F 0.48102187829666 0.25000000000000 0.72790185695987 18.998 > 109 111 F 0.58994190158900 0.45982687263890 0.42246240809784 18.998 > 111 112 F 0.58994190158900 0.45982687263890 0.92246240809784 18.998 > 111 113 F 0.28113132628700 0.25000000000000 0.09611247796352 18.998 > 113 114 F 0.28113132628700 0.25000000000000 0.59611247796352 18.998 > 113 115 F 0.00896533502800 0.75000000000000 0.27326060516788 18.998 > 115 116 F 0.00896533502800 0.75000000000000 0.77326060516788 18.998 > 115 117 F 0.85318594328296 0.42427494289606 0.49951006199410 18.998 > 117 118 F 0.85318594328296 0.42427494289606 0.99951006199410 18.998 > 117 119 F 0.98102187829666 0.25000000000000 0.02209814304013 18.998 > 119 120 F 0.98102187829666 0.25000000000000 0.52209814304013 18.998 > 119 121 F 0.01897812170334 0.75000000000000 0.47790185695987 18.998 > 121 122 F 0.01897812170334 0.75000000000000 0.97790185695987 18.998 > 121 123 F 0.14681405671704 0.57572505710394 0.00048993800590 18.998 > 123 124 F 0.14681405671704 0.57572505710394 0.50048993800590 18.998 > 123 125 F 0.63106898566767 0.75000000000000 0.05261785664692 18.998 > 125 126 F 0.63106898566767 0.75000000000000 0.55261785664692 18.998 > 125 127 F 0.21886867371300 0.75000000000000 0.34611247796352 18.998 > 127 128 F 0.21886867371300 0.75000000000000 0.84611247796352 18.998 > 127 129 F 0.37371006246807 0.75000000000000 0.40619787316271 18.998 > 129 130 F 0.37371006246807 0.75000000000000 0.90619787316271 18.998 > 129 131 F 0.74096125612898 0.25000000000000 0.39524856361893 18.998 > 131 132 F 0.74096125612898 0.25000000000000 0.89524856361893 18.998 > 131 133 F 0.08994190158900 0.45982687263890 0.32753759190216 18.998 > 133 134 F 0.08994190158900 0.45982687263890 0.82753759190216 18.998 > 133 135 F 0.87371006246807 0.75000000000000 0.34380212683729 18.998 > 135 136 F 0.87371006246807 0.75000000000000 0.84380212683729 18.998 > 135 137 F 0.91005809841100 0.95982687263890 0.17246240809784 18.998 > 137 138 F 0.91005809841100 0.95982687263890 0.67246240809784 18.998 > 137 139 F 0.58994190158900 0.04017312736110 0.42246240809784 18.998 > 139 140 F 0.58994190158900 0.04017312736110 0.92246240809784 18.998 > 139 141 F 0.64681405671704 0.92427494289606 0.24951006199410 18.998 > 141 142 F 0.64681405671704 0.92427494289606 0.74951006199410 18.998 > 141 143 F 0.78113132628700 0.25000000000000 0.15388752203648 18.998 > 143 144 F 0.78113132628700 0.25000000000000 0.65388752203648 18.998 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1375338 0.0000000 0.0000000 0.0000000 2.1561878 0.0000000 0.0000000 0.0000000 2.1457581 -------------------------- Born effective charges -------------------------- 1 K 1.1456276 0.1024908 -0.0268872 0.0903743 1.1867996 -0.0118269 -0.0236022 -0.0089290 1.1793183 2 K 1.1954264 -0.0893093 0.0428373 -0.0656065 1.2362540 -0.0009547 0.0340324 -0.0108477 1.1032154 3 K 1.0713582 -0.0000000 0.0301667 -0.0000000 1.3150694 0.0000000 0.0498779 0.0000000 1.1899606 4 K 1.0713582 -0.0000000 0.0301667 -0.0000000 1.3150694 0.0000000 0.0498779 0.0000000 1.1899606 5 K 1.1954264 -0.0893093 0.0428373 -0.0656065 1.2362540 -0.0009547 0.0340324 -0.0108477 1.1032154 6 K 1.1954264 -0.0893093 -0.0428373 -0.0656065 1.2362540 0.0009547 -0.0340324 0.0108477 1.1032154 7 K 1.0713582 -0.0000000 -0.0301667 -0.0000000 1.3150694 0.0000000 -0.0498779 0.0000000 1.1899606 8 K 1.1456276 -0.1024908 -0.0268872 -0.0903743 1.1867996 0.0118269 -0.0236022 0.0089290 1.1793183 9 K 1.1954264 0.0893093 0.0428373 0.0656065 1.2362540 0.0009547 0.0340324 0.0108477 1.1032154 10 K 1.0713582 -0.0000000 -0.0301667 -0.0000000 1.3150694 0.0000000 -0.0498779 0.0000000 1.1899606 11 K 1.1456276 0.1024908 0.0268872 0.0903743 1.1867996 0.0118269 0.0236022 0.0089290 1.1793183 12 K 1.1954264 -0.0893093 -0.0428373 -0.0656065 1.2362540 0.0009547 -0.0340324 0.0108477 1.1032154 13 K 1.1456276 -0.1024908 -0.0268872 -0.0903743 1.1867996 0.0118269 -0.0236022 0.0089290 1.1793183 14 K 1.1954264 0.0893093 0.0428373 0.0656065 1.2362540 0.0009547 0.0340324 0.0108477 1.1032154 15 K 1.1456276 0.1024908 -0.0268872 0.0903743 1.1867996 -0.0118269 -0.0236022 -0.0089290 1.1793183 16 K 1.1456276 -0.1024908 0.0268872 -0.0903743 1.1867996 -0.0118269 0.0236022 -0.0089290 1.1793183 17 K 1.1456276 0.1024908 0.0268872 0.0903743 1.1867996 0.0118269 0.0236022 0.0089290 1.1793183 18 K 1.1954264 0.0893093 -0.0428373 0.0656065 1.2362540 -0.0009547 -0.0340324 -0.0108477 1.1032154 19 K 1.1456276 -0.1024908 0.0268872 -0.0903743 1.1867996 -0.0118269 0.0236022 -0.0089290 1.1793183 20 K 1.1954264 0.0893093 -0.0428373 0.0656065 1.2362540 -0.0009547 -0.0340324 -0.0108477 1.1032154 21 Li 1.0046023 -0.0000000 -0.0257735 -0.0000000 1.1266767 0.0000000 -0.0506807 0.0000000 0.9624078 22 Li 0.9619667 -0.0000000 -0.0360182 -0.0000000 0.8404963 0.0000000 -0.0147683 0.0000000 1.1029814 23 Li 0.9619667 -0.0000000 0.0360182 -0.0000000 0.8404963 0.0000000 0.0147683 0.0000000 1.1029814 24 Li 0.9619667 -0.0000000 -0.0360182 -0.0000000 0.8404963 0.0000000 -0.0147683 0.0000000 1.1029814 25 Li 1.0046023 -0.0000000 0.0257735 -0.0000000 1.1266767 0.0000000 0.0506807 0.0000000 0.9624078 26 Li 0.9619667 -0.0000000 0.0360182 -0.0000000 0.8404963 0.0000000 0.0147683 0.0000000 1.1029814 27 Li 1.0046023 -0.0000000 0.0257735 -0.0000000 1.1266767 0.0000000 0.0506807 0.0000000 0.9624078 28 Li 1.0046023 -0.0000000 -0.0257735 -0.0000000 1.1266767 0.0000000 -0.0506807 0.0000000 0.9624078 29 Nd 3.5440951 -0.0000000 0.0897966 -0.0000000 3.3914607 0.0000000 0.0788039 0.0000000 3.6253421 30 Nd 3.5440951 -0.0000000 -0.0897966 -0.0000000 3.3914607 0.0000000 -0.0788039 0.0000000 3.6253421 31 Nd 3.5440951 -0.0000000 0.0897966 -0.0000000 3.3914607 0.0000000 0.0788039 0.0000000 3.6253421 32 Nd 3.5440951 -0.0000000 -0.0897966 -0.0000000 3.3914607 0.0000000 -0.0788039 0.0000000 3.6253421 33 F -1.3642600 -0.0000000 0.2545430 -0.0000000 -0.9724967 0.0000000 0.2622096 0.0000000 -1.0875008 34 F -1.1168771 -0.0000000 0.0112535 -0.0000000 -1.0930291 0.0000000 0.0152534 0.0000000 -1.1133808 35 F -0.9830206 -0.0912145 -0.1427927 -0.0905054 -1.1490785 -0.2101743 -0.1401586 -0.1870903 -1.2554781 36 F -0.9616254 -0.0000000 0.1172835 -0.0000000 -0.9415556 0.0000000 0.1375161 0.0000000 -1.5200040 37 F -0.9830206 -0.0912145 0.1427927 -0.0905054 -1.1490785 0.2101743 0.1401586 0.1870903 -1.2554781 38 F -0.9616254 -0.0000000 0.1172835 -0.0000000 -0.9415556 0.0000000 0.1375161 0.0000000 -1.5200040 39 F -1.3642600 -0.0000000 0.2545430 -0.0000000 -0.9724967 0.0000000 0.2622096 0.0000000 -1.0875008 40 F -0.9830206 -0.0912145 -0.1427927 -0.0905054 -1.1490785 -0.2101743 -0.1401586 -0.1870903 -1.2554781 41 F -1.1168771 -0.0000000 0.0112535 -0.0000000 -1.0930291 0.0000000 0.0152534 0.0000000 -1.1133808 42 F -1.5917506 -0.0000000 -0.0406928 -0.0000000 -0.9754643 0.0000000 -0.0595937 0.0000000 -0.9570352 43 F -0.9830206 0.0912145 0.1427927 0.0905054 -1.1490785 -0.2101743 0.1401586 -0.1870903 -1.2554781 44 F -0.9616254 -0.0000000 -0.1172835 -0.0000000 -0.9415556 0.0000000 -0.1375161 0.0000000 -1.5200040 45 F -0.9288594 0.1062706 0.0362685 0.0966338 -1.5721243 -0.1780080 0.0428756 -0.1838388 -0.9480785 46 F -0.9830206 0.0912145 0.1427927 0.0905054 -1.1490785 -0.2101743 0.1401586 -0.1870903 -1.2554781 47 F -0.9288594 -0.1062706 0.0362685 -0.0966338 -1.5721243 0.1780080 0.0428756 0.1838388 -0.9480785 48 F -1.1214330 -0.0000000 -0.0023425 -0.0000000 -1.1244473 0.0000000 -0.0032400 0.0000000 -1.0949402 49 F -1.3642600 -0.0000000 -0.2545430 -0.0000000 -0.9724967 0.0000000 -0.2622096 0.0000000 -1.0875008 50 F -1.1168771 -0.0000000 -0.0112535 -0.0000000 -1.0930291 0.0000000 -0.0152534 0.0000000 -1.1133808 51 F -1.2844240 -0.0000000 -0.2968392 -0.0000000 -0.9704119 0.0000000 -0.2901936 0.0000000 -1.2657848 52 F -1.1214330 -0.0000000 0.0023425 -0.0000000 -1.1244473 0.0000000 0.0032400 0.0000000 -1.0949402 53 F -0.9288594 0.1062706 -0.0362685 0.0966338 -1.5721243 0.1780080 -0.0428756 0.1838388 -0.9480785 54 F -0.9288594 -0.1062706 -0.0362685 -0.0966338 -1.5721243 -0.1780080 -0.0428756 -0.1838388 -0.9480785 55 F -1.2844240 -0.0000000 -0.2968392 -0.0000000 -0.9704119 0.0000000 -0.2901936 0.0000000 -1.2657848 56 F -0.9288594 -0.1062706 0.0362685 -0.0966338 -1.5721243 0.1780080 0.0428756 0.1838388 -0.9480785 57 F -1.5917506 -0.0000000 -0.0406928 -0.0000000 -0.9754643 0.0000000 -0.0595937 0.0000000 -0.9570352 58 F -1.3642600 -0.0000000 -0.2545430 -0.0000000 -0.9724967 0.0000000 -0.2622096 0.0000000 -1.0875008 59 F -0.9830206 0.0912145 -0.1427927 0.0905054 -1.1490785 0.2101743 -0.1401586 0.1870903 -1.2554781 60 F -1.2844240 -0.0000000 0.2968392 -0.0000000 -0.9704119 0.0000000 0.2901936 0.0000000 -1.2657848 61 F -1.2844240 -0.0000000 0.2968392 -0.0000000 -0.9704119 0.0000000 0.2901936 0.0000000 -1.2657848 62 F -0.9830206 0.0912145 -0.1427927 0.0905054 -1.1490785 0.2101743 -0.1401586 0.1870903 -1.2554781 63 F -0.9616254 -0.0000000 -0.1172835 -0.0000000 -0.9415556 0.0000000 -0.1375161 0.0000000 -1.5200040 64 F -1.5917506 -0.0000000 0.0406928 -0.0000000 -0.9754643 0.0000000 0.0595937 0.0000000 -0.9570352 65 F -1.1214330 -0.0000000 -0.0023425 -0.0000000 -1.1244473 0.0000000 -0.0032400 0.0000000 -1.0949402 66 F -1.1168771 -0.0000000 -0.0112535 -0.0000000 -1.0930291 0.0000000 -0.0152534 0.0000000 -1.1133808 67 F -0.9288594 -0.1062706 -0.0362685 -0.0966338 -1.5721243 -0.1780080 -0.0428756 -0.1838388 -0.9480785 68 F -1.1214330 -0.0000000 0.0023425 -0.0000000 -1.1244473 0.0000000 0.0032400 0.0000000 -1.0949402 69 F -0.9288594 0.1062706 -0.0362685 0.0966338 -1.5721243 0.1780080 -0.0428756 0.1838388 -0.9480785 70 F -0.9288594 0.1062706 0.0362685 0.0966338 -1.5721243 -0.1780080 0.0428756 -0.1838388 -0.9480785 71 F -0.9830206 -0.0912145 0.1427927 -0.0905054 -1.1490785 0.2101743 0.1401586 0.1870903 -1.2554781 72 F -1.5917506 -0.0000000 0.0406928 -0.0000000 -0.9754643 0.0000000 0.0595937 0.0000000 -0.9570352 ---------------------------------------------------------------------------- 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 ... [ 2 6 7 ] 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: 0.40, Number of G-points: 303, Lambda: 0.06 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/32) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 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 1.013 ( 0.000 0.000 0.000) 0.000 1.130 ( 0.000 0.000 0.000) 0.000 1.133 ( 0.000 0.000 0.000) 0.000 1.391 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.580 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.753 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.019 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.234 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.287 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.506 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 7.937 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.073 ( 0.000 0.000 0.000) 0.000 8.098 ( 0.000 0.000 0.000) 0.000 8.218 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 8.701 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 8.900 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.058 ( 0.000 0.000 0.000) 0.000 9.214 ( 0.000 0.000 0.000) 0.000 9.293 ( 0.000 0.000 0.000) 0.000 9.369 ( 0.000 0.000 0.000) 0.000 9.375 ( 0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.617 ( 0.000 0.000 0.000) 0.000 9.678 ( 0.000 0.000 0.000) 0.000 9.690 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.883 ( 0.000 0.000 0.000) 0.000 10.457 ( 0.000 0.000 0.000) 0.000 10.542 ( 0.000 0.000 0.000) 0.000 10.711 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 11.079 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.257 ( 0.000 0.000 0.000) 0.000 11.940 ( 0.000 0.000 0.000) 0.000 11.942 ( 0.000 0.000 0.000) 0.000 12.634 ( 0.000 0.000 0.000) 0.000 12.674 ( 0.000 0.000 0.000) 0.000 14.419 ( 0.000 0.000 0.000) 0.000 14.508 ( 0.000 0.000 0.000) 0.000 14.767 ( 0.000 0.000 0.000) 0.000 14.940 ( 0.000 0.000 0.000) 0.000 14.942 ( 0.000 0.000 0.000) 0.000 15.106 ( 0.000 0.000 0.000) 0.000 15.109 ( 0.000 0.000 0.000) 0.000 15.526 ( 0.000 0.000 0.000) 0.000 15.724 ( 0.000 0.000 0.000) 0.000 15.737 ( 0.000 0.000 0.000) 0.000 15.838 ( 0.000 0.000 0.000) 0.000 15.946 ( 0.000 0.000 0.000) 0.000 16.156 ( 0.000 0.000 0.000) 0.000 16.184 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 16.322 ( 0.000 0.000 0.000) 0.000 16.484 ( 0.000 0.000 0.000) 0.000 16.516 ( 0.000 0.000 0.000) 0.000 16.521 ( 0.000 0.000 0.000) 0.000 16.632 ( 0.000 0.000 0.000) 0.000 17.653 ( 0.000 0.000 0.000) 0.000 17.670 ( 0.000 0.000 0.000) 0.000 17.801 ( 0.000 0.000 0.000) 0.000 18.097 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/32) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -22.318 0.000 0.000) 22.318 0.554 ( 22.318 0.000 0.000) 22.318 0.637 ( -25.547 0.000 0.000) 25.547 0.637 ( 25.547 0.000 0.000) 25.547 1.002 ( -39.014 0.000 0.000) 39.014 1.002 ( 39.014 0.000 0.000) 39.014 1.602 ( -19.426 0.000 0.000) 19.426 1.602 ( 19.426 0.000 0.000) 19.426 1.801 ( -18.014 0.000 0.000) 18.014 1.801 ( 18.014 0.000 0.000) 18.014 2.271 ( -7.036 0.000 0.000) 7.036 2.271 ( 7.036 0.000 0.000) 7.036 2.435 ( -3.705 0.000 0.000) 3.705 2.435 ( 3.705 0.000 0.000) 3.705 2.472 ( -0.172 0.000 0.000) 0.172 2.472 ( 0.172 0.000 0.000) 0.172 2.624 ( -1.571 0.000 0.000) 1.571 2.624 ( 1.571 0.000 0.000) 1.571 2.748 ( -1.493 0.000 0.000) 1.493 2.748 ( 1.493 0.000 0.000) 1.493 2.755 ( -13.496 0.000 0.000) 13.496 2.755 ( 13.496 0.000 0.000) 13.496 2.798 ( -4.216 0.000 0.000) 4.216 2.798 ( 4.216 0.000 0.000) 4.216 2.833 ( -1.425 0.000 0.000) 1.425 2.833 ( 1.425 0.000 0.000) 1.425 2.927 ( -4.288 0.000 0.000) 4.288 2.927 ( 4.288 0.000 0.000) 4.288 3.014 ( -2.337 0.000 0.000) 2.337 3.014 ( 2.337 0.000 0.000) 2.337 3.104 ( -1.403 0.000 0.000) 1.403 3.104 ( 1.403 0.000 0.000) 1.403 3.203 ( -5.112 0.000 0.000) 5.112 3.203 ( 5.112 0.000 0.000) 5.112 3.212 ( -1.441 0.000 0.000) 1.441 3.212 ( 1.441 0.000 0.000) 1.441 3.283 ( -1.032 0.000 0.000) 1.032 3.283 ( 1.032 0.000 0.000) 1.032 3.351 ( -0.551 0.000 0.000) 0.551 3.351 ( 0.551 0.000 0.000) 0.551 3.377 ( -6.561 0.000 0.000) 6.561 3.377 ( 6.561 0.000 0.000) 6.561 3.436 ( -1.072 0.000 0.000) 1.072 3.436 ( 1.072 0.000 0.000) 1.072 3.508 ( -1.086 0.000 0.000) 1.086 3.508 ( 1.086 0.000 0.000) 1.086 3.542 ( -4.290 0.000 0.000) 4.290 3.542 ( 4.290 0.000 0.000) 4.290 3.616 ( -2.775 0.000 0.000) 2.775 3.616 ( 2.775 0.000 0.000) 2.775 3.698 ( -0.632 0.000 0.000) 0.632 3.698 ( 0.632 0.000 0.000) 0.632 3.821 ( -0.942 0.000 0.000) 0.942 3.821 ( 0.942 0.000 0.000) 0.942 3.901 ( -2.926 0.000 0.000) 2.926 3.901 ( 2.926 0.000 0.000) 2.926 3.916 ( -2.243 0.000 0.000) 2.243 3.916 ( 2.243 0.000 0.000) 2.243 4.009 ( -0.429 0.000 0.000) 0.429 4.009 ( 0.429 0.000 0.000) 0.429 4.015 ( -0.001 0.000 0.000) 0.001 4.015 ( 0.001 0.000 0.000) 0.001 4.040 ( -5.870 0.000 0.000) 5.870 4.040 ( 5.870 0.000 0.000) 5.870 4.057 ( -1.281 0.000 0.000) 1.281 4.057 ( 1.281 0.000 0.000) 1.281 4.199 ( -2.170 0.000 0.000) 2.170 4.199 ( 2.170 0.000 0.000) 2.170 4.234 ( -0.531 0.000 0.000) 0.531 4.234 ( 0.531 0.000 0.000) 0.531 4.238 ( -2.443 0.000 0.000) 2.443 4.238 ( 2.443 0.000 0.000) 2.443 4.398 ( -0.461 0.000 0.000) 0.461 4.398 ( 0.461 0.000 0.000) 0.461 4.414 ( -3.940 0.000 0.000) 3.940 4.414 ( 3.940 0.000 0.000) 3.940 4.461 ( -2.877 0.000 0.000) 2.877 4.461 ( 2.877 0.000 0.000) 2.877 4.517 ( -1.678 0.000 0.000) 1.678 4.517 ( 1.678 0.000 0.000) 1.678 4.643 ( -1.337 0.000 0.000) 1.337 4.643 ( 1.337 0.000 0.000) 1.337 4.730 ( -4.733 0.000 0.000) 4.733 4.730 ( 4.733 0.000 0.000) 4.733 4.757 ( -0.790 0.000 0.000) 0.790 4.757 ( 0.790 0.000 0.000) 0.790 4.871 ( -5.517 0.000 0.000) 5.517 4.871 ( 5.517 0.000 0.000) 5.517 5.023 ( -0.410 0.000 0.000) 0.410 5.023 ( 0.410 0.000 0.000) 0.410 5.191 ( -0.797 0.000 0.000) 0.797 5.191 ( 0.797 0.000 0.000) 0.797 5.292 ( -0.479 0.000 0.000) 0.479 5.292 ( 0.479 0.000 0.000) 0.479 5.382 ( -3.603 0.000 0.000) 3.603 5.382 ( 3.603 0.000 0.000) 3.603 5.390 ( -0.567 0.000 0.000) 0.567 5.390 ( 0.567 0.000 0.000) 0.567 5.447 ( -3.064 0.000 0.000) 3.064 5.447 ( 3.064 0.000 0.000) 3.064 5.528 ( -0.986 0.000 0.000) 0.986 5.528 ( 0.986 0.000 0.000) 0.986 5.532 ( -1.032 0.000 0.000) 1.032 5.532 ( 1.032 0.000 0.000) 1.032 5.625 ( -1.403 0.000 0.000) 1.403 5.625 ( 1.403 0.000 0.000) 1.403 5.680 ( -5.175 0.000 0.000) 5.175 5.680 ( 5.175 0.000 0.000) 5.175 5.775 ( -1.408 0.000 0.000) 1.408 5.775 ( 1.408 0.000 0.000) 1.408 5.825 ( -4.776 0.000 0.000) 4.776 5.825 ( 4.776 0.000 0.000) 4.776 5.906 ( -0.606 0.000 0.000) 0.606 5.906 ( 0.606 0.000 0.000) 0.606 5.949 ( -2.532 0.000 0.000) 2.532 5.949 ( 2.532 0.000 0.000) 2.532 6.049 ( -0.682 0.000 0.000) 0.682 6.049 ( 0.682 0.000 0.000) 0.682 6.083 ( -5.245 0.000 0.000) 5.245 6.083 ( 5.245 0.000 0.000) 5.245 6.134 ( -0.430 0.000 0.000) 0.430 6.134 ( 0.430 0.000 0.000) 0.430 6.149 ( -0.443 0.000 0.000) 0.443 6.149 ( 0.443 0.000 0.000) 0.443 6.237 ( -2.897 0.000 0.000) 2.897 6.237 ( 2.897 0.000 0.000) 2.897 6.318 ( -8.038 0.000 0.000) 8.038 6.318 ( 8.038 0.000 0.000) 8.038 6.530 ( -5.507 0.000 0.000) 5.507 6.530 ( 5.507 0.000 0.000) 5.507 6.583 ( -11.234 0.000 0.000) 11.234 6.583 ( 11.234 0.000 0.000) 11.234 6.869 ( -2.427 0.000 0.000) 2.427 6.869 ( 2.427 0.000 0.000) 2.427 6.951 ( -4.453 0.000 0.000) 4.453 6.951 ( 4.453 0.000 0.000) 4.453 7.142 ( -4.918 0.000 0.000) 4.918 7.142 ( 4.918 0.000 0.000) 4.918 7.202 ( -2.464 0.000 0.000) 2.464 7.202 ( 2.464 0.000 0.000) 2.464 7.272 ( -2.719 0.000 0.000) 2.719 7.272 ( 2.719 0.000 0.000) 2.719 7.338 ( -0.677 0.000 0.000) 0.677 7.338 ( 0.677 0.000 0.000) 0.677 7.358 ( -0.209 0.000 0.000) 0.209 7.358 ( 0.209 0.000 0.000) 0.209 7.440 ( -6.024 0.000 0.000) 6.024 7.440 ( 6.024 0.000 0.000) 6.024 7.495 ( -0.646 0.000 0.000) 0.646 7.495 ( 0.646 0.000 0.000) 0.646 7.633 ( -3.135 0.000 0.000) 3.135 7.633 ( 3.135 0.000 0.000) 3.135 7.846 ( -4.097 0.000 0.000) 4.097 7.846 ( 4.097 0.000 0.000) 4.097 7.982 ( -1.374 0.000 0.000) 1.374 7.982 ( 1.374 0.000 0.000) 1.374 8.181 ( -2.184 0.000 0.000) 2.184 8.181 ( 2.184 0.000 0.000) 2.184 8.218 ( -0.049 0.000 0.000) 0.049 8.218 ( 0.049 0.000 0.000) 0.049 8.311 ( -4.141 0.000 0.000) 4.141 8.311 ( 4.141 0.000 0.000) 4.141 8.396 ( -2.195 0.000 0.000) 2.195 8.396 ( 2.195 0.000 0.000) 2.195 8.673 ( -3.678 0.000 0.000) 3.678 8.673 ( 3.678 0.000 0.000) 3.678 8.879 ( -0.089 0.000 0.000) 0.089 8.879 ( 0.089 0.000 0.000) 0.089 9.114 ( -4.051 0.000 0.000) 4.051 9.114 ( 4.051 0.000 0.000) 4.051 9.369 ( -1.893 0.000 0.000) 1.893 9.369 ( 1.893 0.000 0.000) 1.893 9.405 ( -2.661 0.000 0.000) 2.661 9.405 ( 2.661 0.000 0.000) 2.661 9.572 ( -4.421 0.000 0.000) 4.421 9.572 ( 4.421 0.000 0.000) 4.421 9.660 ( -2.221 0.000 0.000) 2.221 9.660 ( 2.221 0.000 0.000) 2.221 10.045 ( -8.759 0.000 0.000) 8.759 10.045 ( 8.759 0.000 0.000) 8.759 10.508 ( -2.558 0.000 0.000) 2.558 10.508 ( 2.558 0.000 0.000) 2.558 10.766 ( -0.046 0.000 0.000) 0.046 10.766 ( 0.046 0.000 0.000) 0.046 11.086 ( -0.465 0.000 0.000) 0.465 11.086 ( 0.465 0.000 0.000) 0.465 11.257 ( -0.028 0.000 0.000) 0.028 11.257 ( 0.028 0.000 0.000) 0.028 11.973 ( -2.085 0.000 0.000) 2.085 11.973 ( 2.085 0.000 0.000) 2.085 12.655 ( -1.299 0.000 0.000) 1.299 12.655 ( 1.299 0.000 0.000) 1.299 14.463 ( -2.880 0.000 0.000) 2.880 14.463 ( 2.880 0.000 0.000) 2.880 14.941 ( -0.062 0.000 0.000) 0.062 14.941 ( 0.062 0.000 0.000) 0.062 15.108 ( -0.119 0.000 0.000) 0.119 15.108 ( 0.119 0.000 0.000) 0.119 15.549 ( -1.473 0.000 0.000) 1.473 15.549 ( 1.473 0.000 0.000) 1.473 15.731 ( -0.412 0.000 0.000) 0.412 15.731 ( 0.412 0.000 0.000) 0.412 15.951 ( -0.345 0.000 0.000) 0.345 15.951 ( 0.345 0.000 0.000) 0.345 16.168 ( -0.888 0.000 0.000) 0.888 16.168 ( 0.888 0.000 0.000) 0.888 16.306 ( -1.083 0.000 0.000) 1.083 16.306 ( 1.083 0.000 0.000) 1.083 16.518 ( -0.146 0.000 0.000) 0.146 16.518 ( 0.146 0.000 0.000) 0.146 16.634 ( -0.144 0.000 0.000) 0.144 16.634 ( 0.144 0.000 0.000) 0.144 17.661 ( -0.539 0.000 0.000) 0.539 17.661 ( 0.539 0.000 0.000) 0.539 18.098 ( -0.052 0.000 0.000) 0.052 18.098 ( 0.052 0.000 0.000) 0.052 ======================= Grid point 3 (3/32) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 0.000 25.624 0.000) 25.624 0.592 ( 0.000 27.428 0.000) 27.428 1.078 ( 0.000 41.473 0.000) 41.473 1.123 ( 0.000 9.730 0.000) 9.730 1.165 ( 0.000 3.343 0.000) 3.343 1.275 ( 0.000 17.187 0.000) 17.187 1.338 ( 0.000 -0.033 0.000) 0.033 1.921 ( 0.000 1.129 0.000) 1.129 2.046 ( 0.000 13.299 0.000) 13.299 2.054 ( 0.000 -10.921 0.000) 10.921 2.092 ( 0.000 -1.932 0.000) 1.932 2.207 ( 0.000 20.336 0.000) 20.336 2.325 ( 0.000 -0.663 0.000) 0.663 2.434 ( 0.000 8.480 0.000) 8.480 2.519 ( 0.000 -10.231 0.000) 10.231 2.525 ( 0.000 -8.225 0.000) 8.225 2.531 ( 0.000 3.471 0.000) 3.471 2.589 ( 0.000 0.711 0.000) 0.711 2.632 ( 0.000 4.997 0.000) 4.997 2.720 ( 0.000 -2.870 0.000) 2.870 2.728 ( 0.000 5.602 0.000) 5.602 2.731 ( 0.000 2.741 0.000) 2.741 2.777 ( 0.000 -3.345 0.000) 3.345 2.794 ( 0.000 0.465 0.000) 0.465 2.824 ( 0.000 -5.411 0.000) 5.411 2.941 ( 0.000 -0.036 0.000) 0.036 2.950 ( 0.000 -4.837 0.000) 4.837 2.952 ( 0.000 7.478 0.000) 7.478 3.005 ( 0.000 -4.716 0.000) 4.716 3.034 ( 0.000 1.492 0.000) 1.492 3.035 ( 0.000 -5.359 0.000) 5.359 3.053 ( 0.000 0.795 0.000) 0.795 3.109 ( 0.000 -2.737 0.000) 2.737 3.158 ( 0.000 2.467 0.000) 2.467 3.165 ( 0.000 -6.784 0.000) 6.784 3.176 ( 0.000 -1.735 0.000) 1.735 3.218 ( 0.000 -0.587 0.000) 0.587 3.288 ( 0.000 -5.862 0.000) 5.862 3.320 ( 0.000 0.978 0.000) 0.978 3.365 ( 0.000 6.551 0.000) 6.551 3.375 ( 0.000 2.861 0.000) 2.861 3.410 ( 0.000 -4.201 0.000) 4.201 3.419 ( 0.000 1.139 0.000) 1.139 3.471 ( 0.000 4.738 0.000) 4.738 3.518 ( 0.000 1.352 0.000) 1.352 3.533 ( 0.000 0.812 0.000) 0.812 3.588 ( 0.000 -0.362 0.000) 0.362 3.625 ( 0.000 2.809 0.000) 2.809 3.643 ( 0.000 0.150 0.000) 0.150 3.661 ( 0.000 5.158 0.000) 5.158 3.695 ( 0.000 1.288 0.000) 1.288 3.708 ( 0.000 3.556 0.000) 3.556 3.727 ( 0.000 0.985 0.000) 0.985 3.765 ( 0.000 -3.259 0.000) 3.259 3.808 ( 0.000 2.928 0.000) 2.928 3.863 ( 0.000 -1.737 0.000) 1.737 3.899 ( 0.000 -0.616 0.000) 0.616 3.917 ( 0.000 -5.753 0.000) 5.753 3.920 ( 0.000 -3.245 0.000) 3.245 3.921 ( 0.000 -2.079 0.000) 2.079 3.997 ( 0.000 -4.355 0.000) 4.355 4.002 ( 0.000 -0.043 0.000) 0.043 4.060 ( 0.000 -1.475 0.000) 1.475 4.069 ( 0.000 -0.003 0.000) 0.003 4.115 ( 0.000 1.429 0.000) 1.429 4.120 ( 0.000 1.540 0.000) 1.540 4.157 ( 0.000 -2.480 0.000) 2.480 4.182 ( 0.000 -0.147 0.000) 0.147 4.199 ( 0.000 -0.196 0.000) 0.196 4.288 ( 0.000 0.620 0.000) 0.620 4.311 ( 0.000 7.610 0.000) 7.610 4.361 ( 0.000 6.245 0.000) 6.245 4.401 ( 0.000 1.763 0.000) 1.763 4.416 ( 0.000 -4.040 0.000) 4.040 4.455 ( 0.000 -1.004 0.000) 1.004 4.466 ( 0.000 -1.141 0.000) 1.141 4.500 ( 0.000 11.231 0.000) 11.231 4.511 ( 0.000 -0.013 0.000) 0.013 4.562 ( 0.000 -4.233 0.000) 4.233 4.565 ( 0.000 -2.505 0.000) 2.505 4.590 ( 0.000 -4.126 0.000) 4.126 4.599 ( 0.000 -0.415 0.000) 0.415 4.654 ( 0.000 9.808 0.000) 9.808 4.683 ( 0.000 0.142 0.000) 0.142 4.776 ( 0.000 5.527 0.000) 5.527 4.776 ( 0.000 8.139 0.000) 8.139 4.962 ( 0.000 0.492 0.000) 0.492 4.982 ( 0.000 7.467 0.000) 7.467 4.992 ( 0.000 -2.743 0.000) 2.743 5.096 ( 0.000 -1.181 0.000) 1.181 5.134 ( 0.000 -1.360 0.000) 1.360 5.141 ( 0.000 6.285 0.000) 6.285 5.302 ( 0.000 3.409 0.000) 3.409 5.336 ( 0.000 -2.705 0.000) 2.705 5.344 ( 0.000 -1.654 0.000) 1.654 5.358 ( 0.000 5.101 0.000) 5.101 5.384 ( 0.000 4.607 0.000) 4.607 5.429 ( 0.000 -0.516 0.000) 0.516 5.429 ( 0.000 -2.327 0.000) 2.327 5.448 ( 0.000 -3.235 0.000) 3.235 5.516 ( 0.000 -1.382 0.000) 1.382 5.534 ( 0.000 -0.402 0.000) 0.402 5.549 ( 0.000 -1.059 0.000) 1.059 5.550 ( 0.000 -0.021 0.000) 0.021 5.590 ( 0.000 -0.649 0.000) 0.649 5.625 ( 0.000 7.246 0.000) 7.246 5.632 ( 0.000 1.959 0.000) 1.959 5.640 ( 0.000 0.957 0.000) 0.957 5.707 ( 0.000 -0.159 0.000) 0.159 5.780 ( 0.000 2.244 0.000) 2.244 5.813 ( 0.000 -3.288 0.000) 3.288 5.834 ( 0.000 1.728 0.000) 1.728 5.908 ( 0.000 1.866 0.000) 1.866 5.922 ( 0.000 -1.442 0.000) 1.442 5.945 ( 0.000 0.729 0.000) 0.729 5.969 ( 0.000 -1.996 0.000) 1.996 6.003 ( 0.000 3.129 0.000) 3.129 6.024 ( 0.000 -1.862 0.000) 1.862 6.096 ( 0.000 -0.225 0.000) 0.225 6.114 ( 0.000 -3.142 0.000) 3.142 6.132 ( 0.000 2.781 0.000) 2.781 6.156 ( 0.000 4.009 0.000) 4.009 6.180 ( 0.000 -0.189 0.000) 0.189 6.204 ( 0.000 4.385 0.000) 4.385 6.266 ( 0.000 -1.446 0.000) 1.446 6.273 ( 0.000 4.415 0.000) 4.415 6.274 ( 0.000 -1.970 0.000) 1.970 6.375 ( 0.000 -4.283 0.000) 4.283 6.493 ( 0.000 4.666 0.000) 4.666 6.587 ( 0.000 11.877 0.000) 11.877 6.686 ( 0.000 -1.309 0.000) 1.309 6.773 ( 0.000 1.444 0.000) 1.444 6.836 ( 0.000 2.438 0.000) 2.438 6.876 ( 0.000 -8.844 0.000) 8.844 6.907 ( 0.000 1.347 0.000) 1.347 6.957 ( 0.000 -0.622 0.000) 0.622 7.095 ( 0.000 3.207 0.000) 3.207 7.114 ( 0.000 -1.474 0.000) 1.474 7.134 ( 0.000 -9.433 0.000) 9.433 7.141 ( 0.000 -6.952 0.000) 6.952 7.181 ( 0.000 -2.036 0.000) 2.036 7.205 ( 0.000 0.651 0.000) 0.651 7.287 ( 0.000 -1.049 0.000) 1.049 7.328 ( 0.000 0.991 0.000) 0.991 7.333 ( 0.000 0.450 0.000) 0.450 7.406 ( 0.000 3.052 0.000) 3.052 7.469 ( 0.000 -5.340 0.000) 5.340 7.504 ( 0.000 -0.322 0.000) 0.322 7.569 ( 0.000 2.745 0.000) 2.745 7.588 ( 0.000 1.391 0.000) 1.391 7.696 ( 0.000 1.298 0.000) 1.298 7.783 ( 0.000 -1.212 0.000) 1.212 7.859 ( 0.000 -0.719 0.000) 0.719 7.942 ( 0.000 0.290 0.000) 0.290 8.017 ( 0.000 -3.529 0.000) 3.529 8.040 ( 0.000 -2.170 0.000) 2.170 8.114 ( 0.000 1.637 0.000) 1.637 8.152 ( 0.000 -3.193 0.000) 3.193 8.193 ( 0.000 1.317 0.000) 1.317 8.251 ( 0.000 -7.176 0.000) 7.176 8.319 ( 0.000 -1.337 0.000) 1.337 8.342 ( 0.000 -6.216 0.000) 6.216 8.400 ( 0.000 -1.818 0.000) 1.818 8.434 ( 0.000 -2.656 0.000) 2.656 8.606 ( 0.000 3.606 0.000) 3.606 8.738 ( 0.000 2.309 0.000) 2.309 8.758 ( 0.000 4.444 0.000) 4.444 8.892 ( 0.000 -3.146 0.000) 3.146 9.037 ( 0.000 2.617 0.000) 2.617 9.103 ( 0.000 2.439 0.000) 2.439 9.138 ( 0.000 -6.076 0.000) 6.076 9.183 ( 0.000 -12.830 0.000) 12.830 9.205 ( 0.000 -13.712 0.000) 13.712 9.319 ( 0.000 -6.274 0.000) 6.274 9.408 ( 0.000 -7.344 0.000) 7.344 9.423 ( 0.000 -18.267 0.000) 18.267 9.675 ( 0.000 -4.506 0.000) 4.506 9.734 ( 0.000 -2.084 0.000) 2.084 9.883 ( 0.000 -6.484 0.000) 6.484 9.978 ( 0.000 -8.785 0.000) 8.785 10.636 ( 0.000 8.898 0.000) 8.898 10.650 ( 0.000 12.899 0.000) 12.899 10.855 ( 0.000 9.292 0.000) 9.292 10.893 ( 0.000 9.262 0.000) 9.262 11.124 ( 0.000 3.965 0.000) 3.965 11.192 ( 0.000 8.716 0.000) 8.716 11.272 ( 0.000 1.381 0.000) 1.381 11.316 ( 0.000 5.179 0.000) 5.179 11.945 ( 0.000 0.982 0.000) 0.982 11.948 ( 0.000 1.223 0.000) 1.223 12.593 ( 0.000 -3.872 0.000) 3.872 12.625 ( 0.000 -4.461 0.000) 4.461 14.423 ( 0.000 0.474 0.000) 0.474 14.478 ( 0.000 -1.123 0.000) 1.123 14.706 ( 0.000 -4.783 0.000) 4.783 14.969 ( 0.000 -10.532 0.000) 10.532 15.085 ( 0.000 10.164 0.000) 10.164 15.170 ( 0.000 5.009 0.000) 5.009 15.564 ( 0.000 1.151 0.000) 1.151 15.594 ( 0.000 -4.005 0.000) 4.005 15.682 ( 0.000 -1.935 0.000) 1.935 15.770 ( 0.000 2.565 0.000) 2.565 15.835 ( 0.000 -0.264 0.000) 0.264 15.937 ( 0.000 -0.919 0.000) 0.919 16.255 ( 0.000 4.377 0.000) 4.377 16.323 ( 0.000 2.931 0.000) 2.931 16.344 ( 0.000 2.016 0.000) 2.016 16.482 ( 0.000 -0.091 0.000) 0.091 16.506 ( 0.000 -0.899 0.000) 0.899 16.509 ( 0.000 -1.001 0.000) 1.001 16.623 ( 0.000 -0.973 0.000) 0.973 16.907 ( 0.000 -6.189 0.000) 6.189 17.654 ( 0.000 0.162 0.000) 0.162 17.666 ( 0.000 -0.109 0.000) 0.109 17.782 ( 0.000 -1.661 0.000) 1.661 18.013 ( 0.000 -6.853 0.000) 6.853 ======================= Grid point 4 (4/32) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -11.509 14.402 0.000) 18.436 0.742 ( 11.509 14.402 0.000) 18.436 0.807 ( -8.919 18.619 0.000) 20.645 0.807 ( 8.919 18.619 0.000) 20.645 1.470 ( -21.798 26.413 0.000) 34.247 1.470 ( 21.798 26.413 0.000) 34.247 1.658 ( -15.479 5.993 0.000) 16.599 1.658 ( 15.479 5.993 0.000) 16.599 1.778 ( -10.114 1.983 0.000) 10.306 1.778 ( 10.114 1.983 0.000) 10.306 2.260 ( -2.577 -9.645 0.000) 9.983 2.260 ( 2.577 -9.645 0.000) 9.983 2.407 ( -1.910 11.916 0.000) 12.068 2.407 ( 1.910 11.916 0.000) 12.068 2.538 ( -0.987 -11.705 0.000) 11.746 2.538 ( 0.987 -11.705 0.000) 11.746 2.597 ( -0.410 2.972 0.000) 3.000 2.597 ( 0.410 2.972 0.000) 3.000 2.681 ( -3.556 0.620 0.000) 3.609 2.681 ( 3.556 0.620 0.000) 3.609 2.744 ( -1.197 -1.548 0.000) 1.957 2.744 ( 1.197 -1.548 0.000) 1.957 2.795 ( -0.910 1.234 0.000) 1.533 2.795 ( 0.910 1.234 0.000) 1.533 2.869 ( -4.055 0.919 0.000) 4.157 2.869 ( 4.055 0.919 0.000) 4.157 2.928 ( -1.038 -1.266 0.000) 1.637 2.928 ( 1.038 -1.266 0.000) 1.637 3.004 ( -0.556 1.325 0.000) 1.437 3.004 ( 0.556 1.325 0.000) 1.437 3.065 ( -1.019 -3.801 0.000) 3.935 3.065 ( 1.019 -3.801 0.000) 3.935 3.141 ( -1.751 -0.866 0.000) 1.953 3.141 ( 1.751 -0.866 0.000) 1.953 3.202 ( -3.556 -7.671 0.000) 8.455 3.202 ( 3.556 -7.671 0.000) 8.455 3.271 ( -2.933 3.270 0.000) 4.392 3.271 ( 2.933 3.270 0.000) 4.392 3.334 ( -0.450 -2.803 0.000) 2.839 3.334 ( 0.450 -2.803 0.000) 2.839 3.362 ( -0.702 3.462 0.000) 3.533 3.362 ( 0.702 3.462 0.000) 3.533 3.456 ( -2.802 3.402 0.000) 4.408 3.456 ( 2.802 3.402 0.000) 4.408 3.551 ( -1.583 0.759 0.000) 1.755 3.551 ( 1.583 0.759 0.000) 1.755 3.589 ( -4.642 3.793 0.000) 5.995 3.589 ( 4.642 3.793 0.000) 5.995 3.670 ( -0.448 -1.447 0.000) 1.514 3.670 ( 0.448 -1.447 0.000) 1.514 3.686 ( -1.839 4.227 0.000) 4.610 3.686 ( 1.839 4.227 0.000) 4.610 3.793 ( -2.224 -2.383 0.000) 3.259 3.793 ( 2.224 -2.383 0.000) 3.259 3.859 ( -0.291 -3.374 0.000) 3.387 3.859 ( 0.291 -3.374 0.000) 3.387 3.902 ( -0.772 -1.235 0.000) 1.456 3.902 ( 0.772 -1.235 0.000) 1.456 3.918 ( -5.273 -1.791 0.000) 5.569 3.918 ( 5.273 -1.791 0.000) 5.569 3.943 ( -2.840 -3.547 0.000) 4.544 3.943 ( 2.840 -3.547 0.000) 4.544 4.084 ( -0.632 -0.362 0.000) 0.728 4.084 ( 0.632 -0.362 0.000) 0.728 4.099 ( -0.502 2.262 0.000) 2.317 4.099 ( 0.502 2.262 0.000) 2.317 4.155 ( -0.054 -1.265 0.000) 1.267 4.155 ( 0.054 -1.265 0.000) 1.267 4.247 ( -2.149 0.764 0.000) 2.280 4.247 ( 2.149 0.764 0.000) 2.280 4.344 ( -2.062 6.938 0.000) 7.238 4.344 ( 2.062 6.938 0.000) 7.238 4.416 ( -1.086 0.425 0.000) 1.166 4.416 ( 1.086 0.425 0.000) 1.166 4.457 ( -1.546 -3.506 0.000) 3.832 4.457 ( 1.546 -3.506 0.000) 3.832 4.517 ( -0.428 2.177 0.000) 2.219 4.517 ( 0.428 2.177 0.000) 2.219 4.557 ( -3.116 11.958 0.000) 12.357 4.557 ( 3.116 11.958 0.000) 12.357 4.580 ( -0.364 -6.969 0.000) 6.979 4.580 ( 0.364 -6.969 0.000) 6.979 4.642 ( -2.962 -0.964 0.000) 3.115 4.642 ( 2.962 -0.964 0.000) 3.115 4.831 ( -2.716 4.475 0.000) 5.235 4.831 ( 2.716 4.475 0.000) 5.235 4.941 ( -2.550 4.824 0.000) 5.456 4.941 ( 2.550 4.824 0.000) 5.456 5.067 ( -2.703 3.198 0.000) 4.187 5.067 ( 2.703 3.198 0.000) 4.187 5.187 ( -0.553 -1.455 0.000) 1.557 5.187 ( 0.553 -1.455 0.000) 1.557 5.266 ( -3.329 -1.376 0.000) 3.602 5.266 ( 3.329 -1.376 0.000) 3.602 5.364 ( -0.385 1.724 0.000) 1.767 5.364 ( 0.385 1.724 0.000) 1.767 5.420 ( -2.272 -1.726 0.000) 2.854 5.420 ( 2.272 -1.726 0.000) 2.854 5.457 ( -1.102 2.483 0.000) 2.717 5.457 ( 1.102 2.483 0.000) 2.717 5.515 ( -0.060 -1.033 0.000) 1.035 5.515 ( 0.060 -1.033 0.000) 1.035 5.562 ( -0.463 1.205 0.000) 1.291 5.562 ( 0.463 1.205 0.000) 1.291 5.587 ( -2.104 -0.117 0.000) 2.107 5.587 ( 2.104 -0.117 0.000) 2.107 5.655 ( -2.229 -1.348 0.000) 2.605 5.655 ( 2.229 -1.348 0.000) 2.605 5.732 ( -2.240 0.830 0.000) 2.389 5.732 ( 2.240 0.830 0.000) 2.389 5.862 ( -2.463 2.299 0.000) 3.369 5.862 ( 2.463 2.299 0.000) 3.369 5.901 ( -1.969 -1.884 0.000) 2.725 5.901 ( 1.969 -1.884 0.000) 2.725 5.956 ( -0.991 1.181 0.000) 1.542 5.956 ( 0.991 1.181 0.000) 1.542 5.988 ( -0.447 -0.670 0.000) 0.806 5.988 ( 0.447 -0.670 0.000) 0.806 6.118 ( -0.973 -1.114 0.000) 1.479 6.118 ( 0.973 -1.114 0.000) 1.479 6.146 ( -0.788 2.370 0.000) 2.497 6.146 ( 0.788 2.370 0.000) 2.497 6.182 ( -4.794 0.153 0.000) 4.797 6.182 ( 4.794 0.153 0.000) 4.797 6.254 ( -2.139 1.772 0.000) 2.777 6.254 ( 2.139 1.772 0.000) 2.777 6.325 ( -3.425 -1.531 0.000) 3.751 6.325 ( 3.425 -1.531 0.000) 3.751 6.564 ( -5.375 2.997 0.000) 6.154 6.564 ( 5.375 2.997 0.000) 6.154 6.697 ( -6.768 8.859 0.000) 11.148 6.697 ( 6.768 8.859 0.000) 11.148 6.864 ( -1.522 -4.574 0.000) 4.820 6.864 ( 1.522 -4.574 0.000) 4.820 6.940 ( -1.278 -1.014 0.000) 1.632 6.940 ( 1.278 -1.014 0.000) 1.632 7.094 ( -0.806 -5.618 0.000) 5.675 7.094 ( 0.806 -5.618 0.000) 5.675 7.166 ( -1.814 -2.949 0.000) 3.462 7.166 ( 1.814 -2.949 0.000) 3.462 7.205 ( -3.536 -2.043 0.000) 4.084 7.205 ( 3.536 -2.043 0.000) 4.084 7.290 ( -3.283 -2.188 0.000) 3.945 7.290 ( 3.283 -2.188 0.000) 3.945 7.423 ( -1.481 -0.141 0.000) 1.488 7.423 ( 1.481 -0.141 0.000) 1.488 7.484 ( -3.014 0.630 0.000) 3.079 7.484 ( 3.014 0.630 0.000) 3.079 7.629 ( -12.513 10.834 0.000) 16.551 7.629 ( 12.513 10.834 0.000) 16.551 7.649 ( -3.088 1.480 0.000) 3.425 7.649 ( 3.088 1.480 0.000) 3.425 7.850 ( -5.570 0.594 0.000) 5.602 7.850 ( 5.570 0.594 0.000) 5.602 8.012 ( -1.497 2.391 0.000) 2.821 8.012 ( 1.497 2.391 0.000) 2.821 8.084 ( -0.853 -5.728 0.000) 5.792 8.084 ( 0.853 -5.728 0.000) 5.792 8.240 ( -2.279 -0.197 0.000) 2.287 8.240 ( 2.279 -0.197 0.000) 2.287 8.296 ( -5.507 -1.478 0.000) 5.702 8.296 ( 5.507 -1.478 0.000) 5.702 8.363 ( -2.895 -2.366 0.000) 3.739 8.363 ( 2.895 -2.366 0.000) 3.739 8.718 ( -4.407 3.342 0.000) 5.531 8.718 ( 4.407 3.342 0.000) 5.531 8.848 ( -2.198 -5.376 0.000) 5.808 8.848 ( 2.198 -5.376 0.000) 5.808 9.091 ( -2.823 -4.984 0.000) 5.728 9.091 ( 2.823 -4.984 0.000) 5.728 9.159 ( -5.060 -3.578 0.000) 6.197 9.159 ( 5.060 -3.578 0.000) 6.197 9.236 ( -0.976 -12.220 0.000) 12.259 9.236 ( 0.976 -12.220 0.000) 12.259 9.487 ( -1.127 -10.254 0.000) 10.316 9.487 ( 1.127 -10.254 0.000) 10.316 9.688 ( -1.948 -2.244 0.000) 2.972 9.688 ( 1.948 -2.244 0.000) 2.972 9.929 ( -3.282 -9.418 0.000) 9.974 9.929 ( 3.282 -9.418 0.000) 9.974 10.640 ( -0.364 10.807 0.000) 10.813 10.640 ( 0.364 10.807 0.000) 10.813 10.878 ( -1.136 8.721 0.000) 8.795 10.878 ( 1.136 8.721 0.000) 8.795 11.154 ( -2.090 5.520 0.000) 5.903 11.154 ( 2.090 5.520 0.000) 5.903 11.299 ( -1.299 4.136 0.000) 4.335 11.299 ( 1.299 4.136 0.000) 4.335 11.962 ( -0.399 0.284 0.000) 0.490 11.962 ( 0.399 0.284 0.000) 0.490 12.607 ( -1.117 -4.224 0.000) 4.369 12.607 ( 1.117 -4.224 0.000) 4.369 14.444 ( -2.019 -0.333 0.000) 2.046 14.444 ( 2.019 -0.333 0.000) 2.046 14.867 ( -7.331 -9.213 0.000) 11.774 14.867 ( 7.331 -9.213 0.000) 11.774 15.131 ( -2.491 6.844 0.000) 7.284 15.131 ( 2.491 6.844 0.000) 7.284 15.587 ( -1.027 -1.475 0.000) 1.797 15.587 ( 1.027 -1.475 0.000) 1.797 15.700 ( -2.099 1.189 0.000) 2.413 15.700 ( 2.099 1.189 0.000) 2.413 15.904 ( -2.653 -1.473 0.000) 3.035 15.904 ( 2.653 -1.473 0.000) 3.035 16.315 ( -2.990 2.847 0.000) 4.128 16.315 ( 2.990 2.847 0.000) 4.128 16.367 ( -5.399 6.033 0.000) 8.096 16.367 ( 5.399 6.033 0.000) 8.096 16.508 ( -0.087 -0.940 0.000) 0.944 16.508 ( 0.087 -0.940 0.000) 0.944 16.663 ( -4.739 1.241 0.000) 4.899 16.663 ( 4.739 1.241 0.000) 4.899 17.659 ( -0.446 -0.033 0.000) 0.448 17.659 ( 0.446 -0.033 0.000) 0.448 17.964 ( -4.912 -8.607 0.000) 9.910 17.964 ( 4.912 -8.607 0.000) 9.910 ======================= Grid point 6 (5/32) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 22.084 0.000) 22.084 1.156 ( 0.000 24.201 0.000) 24.201 1.292 ( 0.000 8.420 0.000) 8.420 1.382 ( 0.000 13.257 0.000) 13.257 1.408 ( 0.000 5.021 0.000) 5.021 1.438 ( 0.000 8.922 0.000) 8.922 1.883 ( 0.000 5.777 0.000) 5.777 1.890 ( 0.000 -6.040 0.000) 6.040 1.946 ( 0.000 -10.705 0.000) 10.705 2.021 ( 0.000 -2.142 0.000) 2.142 2.122 ( 0.000 25.415 0.000) 25.415 2.181 ( 0.000 -11.847 0.000) 11.847 2.239 ( 0.000 -14.726 0.000) 14.726 2.545 ( 0.000 6.706 0.000) 6.706 2.580 ( 0.000 -8.823 0.000) 8.823 2.591 ( 0.000 -5.485 0.000) 5.485 2.600 ( 0.000 0.134 0.000) 0.134 2.602 ( 0.000 2.953 0.000) 2.953 2.618 ( 0.000 6.209 0.000) 6.209 2.647 ( 0.000 -5.345 0.000) 5.345 2.653 ( 0.000 2.100 0.000) 2.100 2.710 ( 0.000 5.552 0.000) 5.552 2.785 ( 0.000 -4.164 0.000) 4.164 2.830 ( 0.000 0.417 0.000) 0.417 2.847 ( 0.000 2.300 0.000) 2.300 2.874 ( 0.000 1.357 0.000) 1.357 2.982 ( 0.000 -4.565 0.000) 4.565 2.985 ( 0.000 0.074 0.000) 0.074 3.007 ( 0.000 6.717 0.000) 6.717 3.033 ( 0.000 6.676 0.000) 6.676 3.074 ( 0.000 -3.038 0.000) 3.038 3.101 ( 0.000 10.091 0.000) 10.091 3.104 ( 0.000 3.311 0.000) 3.311 3.110 ( 0.000 -5.238 0.000) 5.238 3.121 ( 0.000 0.350 0.000) 0.350 3.225 ( 0.000 10.539 0.000) 10.539 3.237 ( 0.000 5.980 0.000) 5.980 3.239 ( 0.000 0.237 0.000) 0.237 3.334 ( 0.000 -3.088 0.000) 3.088 3.375 ( 0.000 0.497 0.000) 0.497 3.433 ( 0.000 1.122 0.000) 1.122 3.464 ( 0.000 3.308 0.000) 3.308 3.522 ( 0.000 3.802 0.000) 3.802 3.541 ( 0.000 -2.959 0.000) 2.959 3.549 ( 0.000 0.940 0.000) 0.940 3.558 ( 0.000 5.035 0.000) 5.035 3.571 ( 0.000 3.433 0.000) 3.433 3.639 ( 0.000 -1.726 0.000) 1.726 3.646 ( 0.000 0.725 0.000) 0.725 3.668 ( 0.000 -1.443 0.000) 1.443 3.694 ( 0.000 -3.265 0.000) 3.265 3.705 ( 0.000 -1.355 0.000) 1.355 3.757 ( 0.000 0.022 0.000) 0.022 3.780 ( 0.000 -3.606 0.000) 3.606 3.830 ( 0.000 -3.800 0.000) 3.800 3.837 ( 0.000 -0.841 0.000) 0.841 3.855 ( 0.000 6.730 0.000) 6.730 3.858 ( 0.000 0.047 0.000) 0.047 3.915 ( 0.000 1.175 0.000) 1.175 3.923 ( 0.000 2.945 0.000) 2.945 3.934 ( 0.000 -1.498 0.000) 1.498 4.018 ( 0.000 -7.303 0.000) 7.303 4.032 ( 0.000 -0.206 0.000) 0.206 4.035 ( 0.000 -0.738 0.000) 0.738 4.036 ( 0.000 -2.073 0.000) 2.073 4.065 ( 0.000 -2.332 0.000) 2.332 4.170 ( 0.000 0.808 0.000) 0.808 4.201 ( 0.000 0.719 0.000) 0.719 4.266 ( 0.000 2.314 0.000) 2.314 4.290 ( 0.000 -5.785 0.000) 5.785 4.295 ( 0.000 -0.062 0.000) 0.062 4.295 ( 0.000 -3.636 0.000) 3.636 4.377 ( 0.000 -4.872 0.000) 4.872 4.442 ( 0.000 -0.836 0.000) 0.836 4.444 ( 0.000 -1.243 0.000) 1.243 4.444 ( 0.000 0.924 0.000) 0.924 4.462 ( 0.000 4.255 0.000) 4.255 4.523 ( 0.000 -0.602 0.000) 0.602 4.564 ( 0.000 0.502 0.000) 0.502 4.581 ( 0.000 -6.227 0.000) 6.227 4.657 ( 0.000 4.118 0.000) 4.118 4.666 ( 0.000 7.548 0.000) 7.548 4.824 ( 0.000 13.862 0.000) 13.862 4.910 ( 0.000 -4.265 0.000) 4.265 4.925 ( 0.000 -0.249 0.000) 0.249 4.959 ( 0.000 11.316 0.000) 11.316 4.959 ( 0.000 13.107 0.000) 13.107 5.038 ( 0.000 -1.666 0.000) 1.666 5.073 ( 0.000 10.674 0.000) 10.674 5.103 ( 0.000 5.169 0.000) 5.169 5.141 ( 0.000 0.815 0.000) 0.815 5.204 ( 0.000 2.362 0.000) 2.362 5.330 ( 0.000 1.863 0.000) 1.863 5.365 ( 0.000 -3.031 0.000) 3.031 5.375 ( 0.000 0.079 0.000) 0.079 5.393 ( 0.000 2.064 0.000) 2.064 5.402 ( 0.000 -0.372 0.000) 0.372 5.417 ( 0.000 5.978 0.000) 5.978 5.431 ( 0.000 1.133 0.000) 1.133 5.497 ( 0.000 -2.725 0.000) 2.725 5.500 ( 0.000 -0.303 0.000) 0.303 5.526 ( 0.000 2.634 0.000) 2.634 5.540 ( 0.000 -0.130 0.000) 0.130 5.570 ( 0.000 1.336 0.000) 1.336 5.584 ( 0.000 4.795 0.000) 4.795 5.659 ( 0.000 -0.494 0.000) 0.494 5.683 ( 0.000 3.968 0.000) 3.968 5.707 ( 0.000 -5.050 0.000) 5.050 5.747 ( 0.000 2.087 0.000) 2.087 5.800 ( 0.000 6.277 0.000) 6.277 5.837 ( 0.000 2.174 0.000) 2.174 5.860 ( 0.000 0.891 0.000) 0.891 5.872 ( 0.000 -4.219 0.000) 4.219 5.935 ( 0.000 0.818 0.000) 0.818 5.948 ( 0.000 -0.683 0.000) 0.683 5.949 ( 0.000 -4.035 0.000) 4.035 5.955 ( 0.000 1.677 0.000) 1.677 6.024 ( 0.000 -4.056 0.000) 4.056 6.046 ( 0.000 0.775 0.000) 0.775 6.050 ( 0.000 -3.257 0.000) 3.257 6.169 ( 0.000 -0.565 0.000) 0.565 6.172 ( 0.000 -1.706 0.000) 1.706 6.196 ( 0.000 -1.219 0.000) 1.219 6.234 ( 0.000 -0.982 0.000) 0.982 6.244 ( 0.000 -0.220 0.000) 0.220 6.255 ( 0.000 -5.198 0.000) 5.198 6.277 ( 0.000 1.510 0.000) 1.510 6.333 ( 0.000 0.534 0.000) 0.534 6.618 ( 0.000 -4.418 0.000) 4.418 6.646 ( 0.000 4.404 0.000) 4.404 6.673 ( 0.000 -3.454 0.000) 3.454 6.731 ( 0.000 -8.199 0.000) 8.199 6.822 ( 0.000 -11.956 0.000) 11.956 6.833 ( 0.000 1.644 0.000) 1.644 6.843 ( 0.000 10.348 0.000) 10.348 6.936 ( 0.000 -1.572 0.000) 1.572 6.999 ( 0.000 -1.354 0.000) 1.354 7.016 ( 0.000 -1.509 0.000) 1.509 7.068 ( 0.000 -2.670 0.000) 2.670 7.123 ( 0.000 -3.380 0.000) 3.380 7.189 ( 0.000 5.714 0.000) 5.714 7.266 ( 0.000 -3.884 0.000) 3.884 7.277 ( 0.000 5.125 0.000) 5.125 7.321 ( 0.000 5.465 0.000) 5.465 7.409 ( 0.000 3.198 0.000) 3.198 7.411 ( 0.000 -0.537 0.000) 0.537 7.490 ( 0.000 -1.286 0.000) 1.286 7.496 ( 0.000 5.086 0.000) 5.086 7.611 ( 0.000 -0.267 0.000) 0.267 7.646 ( 0.000 4.146 0.000) 4.146 7.702 ( 0.000 -1.734 0.000) 1.734 7.735 ( 0.000 -3.192 0.000) 3.192 7.820 ( 0.000 -4.348 0.000) 4.348 7.883 ( 0.000 -7.302 0.000) 7.302 7.924 ( 0.000 -1.349 0.000) 1.349 7.970 ( 0.000 -3.992 0.000) 3.992 8.152 ( 0.000 1.166 0.000) 1.166 8.154 ( 0.000 2.724 0.000) 2.724 8.159 ( 0.000 -0.440 0.000) 0.440 8.168 ( 0.000 2.051 0.000) 2.051 8.278 ( 0.000 -1.474 0.000) 1.474 8.343 ( 0.000 -5.322 0.000) 5.322 8.371 ( 0.000 6.889 0.000) 6.889 8.389 ( 0.000 1.559 0.000) 1.559 8.683 ( 0.000 2.352 0.000) 2.352 8.691 ( 0.000 -12.577 0.000) 12.577 8.765 ( 0.000 -0.429 0.000) 0.429 8.779 ( 0.000 -8.459 0.000) 8.459 8.808 ( 0.000 -17.724 0.000) 17.724 8.950 ( 0.000 0.032 0.000) 0.032 9.014 ( 0.000 -17.177 0.000) 17.177 9.082 ( 0.000 -0.130 0.000) 0.130 9.127 ( 0.000 4.309 0.000) 4.309 9.194 ( 0.000 2.989 0.000) 2.989 9.221 ( 0.000 -3.267 0.000) 3.267 9.324 ( 0.000 -3.175 0.000) 3.175 9.532 ( 0.000 -6.131 0.000) 6.131 9.649 ( 0.000 -12.164 0.000) 12.164 9.674 ( 0.000 -2.686 0.000) 2.686 9.793 ( 0.000 -8.182 0.000) 8.182 10.864 ( 0.000 10.452 0.000) 10.452 10.908 ( 0.000 10.078 0.000) 10.078 11.010 ( 0.000 4.768 0.000) 4.768 11.038 ( 0.000 3.211 0.000) 3.211 11.233 ( 0.000 5.796 0.000) 5.796 11.311 ( 0.000 2.202 0.000) 2.202 11.363 ( 0.000 4.369 0.000) 4.369 11.411 ( 0.000 1.345 0.000) 1.345 12.029 ( 0.000 7.802 0.000) 7.802 12.043 ( 0.000 8.465 0.000) 8.465 12.465 ( 0.000 -8.131 0.000) 8.131 12.488 ( 0.000 -8.323 0.000) 8.323 14.446 ( 0.000 1.758 0.000) 1.758 14.492 ( 0.000 2.495 0.000) 2.495 14.596 ( 0.000 -5.008 0.000) 5.008 14.746 ( 0.000 -9.319 0.000) 9.319 15.281 ( 0.000 7.525 0.000) 7.525 15.288 ( 0.000 5.664 0.000) 5.664 15.503 ( 0.000 -4.398 0.000) 4.398 15.512 ( 0.000 -4.252 0.000) 4.252 15.731 ( 0.000 4.558 0.000) 4.558 15.813 ( 0.000 1.359 0.000) 1.359 15.830 ( 0.000 -0.072 0.000) 0.072 15.902 ( 0.000 -2.421 0.000) 2.421 16.328 ( 0.000 2.522 0.000) 2.522 16.383 ( 0.000 1.692 0.000) 1.692 16.402 ( 0.000 3.126 0.000) 3.126 16.481 ( 0.000 -1.275 0.000) 1.275 16.488 ( 0.000 -0.276 0.000) 0.276 16.489 ( 0.000 1.308 0.000) 1.308 16.585 ( 0.000 -2.556 0.000) 2.556 16.739 ( 0.000 -8.645 0.000) 8.645 17.664 ( 0.000 0.833 0.000) 0.833 17.677 ( 0.000 1.417 0.000) 1.417 17.737 ( 0.000 -2.291 0.000) 2.291 17.855 ( 0.000 -7.002 0.000) 7.002 ======================= Grid point 7 (6/32) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -4.255 19.607 0.000) 20.063 1.132 ( 4.255 19.607 0.000) 20.063 1.239 ( -4.381 18.857 0.000) 19.359 1.239 ( 4.381 18.857 0.000) 19.359 1.642 ( -6.160 -1.217 0.000) 6.279 1.642 ( 6.160 -1.217 0.000) 6.279 1.679 ( -5.620 2.528 0.000) 6.162 1.679 ( 5.620 2.528 0.000) 6.162 2.049 ( -2.589 -8.969 0.000) 9.335 2.049 ( 2.589 -8.969 0.000) 9.335 2.221 ( -2.404 -13.753 0.000) 13.961 2.221 ( 2.404 -13.753 0.000) 13.961 2.328 ( -13.633 27.271 0.000) 30.489 2.328 ( 13.633 27.271 0.000) 30.489 2.527 ( -0.003 -6.974 0.000) 6.974 2.527 ( 0.003 -6.974 0.000) 6.974 2.605 ( -1.820 2.082 0.000) 2.765 2.605 ( 1.820 2.082 0.000) 2.765 2.697 ( -2.187 -1.037 0.000) 2.420 2.697 ( 2.187 -1.037 0.000) 2.420 2.700 ( -0.356 -2.670 0.000) 2.694 2.700 ( 0.356 -2.670 0.000) 2.694 2.809 ( -2.412 -0.920 0.000) 2.582 2.809 ( 2.412 -0.920 0.000) 2.582 2.873 ( -4.723 3.375 0.000) 5.805 2.873 ( 4.723 3.375 0.000) 5.805 2.906 ( -3.361 -0.394 0.000) 3.384 2.906 ( 3.361 -0.394 0.000) 3.384 3.033 ( -4.502 0.588 0.000) 4.540 3.033 ( 4.502 0.588 0.000) 4.540 3.055 ( -0.422 0.232 0.000) 0.481 3.055 ( 0.422 0.232 0.000) 0.481 3.104 ( -1.696 2.095 0.000) 2.696 3.104 ( 1.696 2.095 0.000) 2.696 3.216 ( -1.048 5.051 0.000) 5.158 3.216 ( 1.048 5.051 0.000) 5.158 3.283 ( -3.124 1.891 0.000) 3.651 3.283 ( 3.124 1.891 0.000) 3.651 3.345 ( -5.727 1.300 0.000) 5.872 3.345 ( 5.727 1.300 0.000) 5.872 3.438 ( -2.127 2.189 0.000) 3.052 3.438 ( 2.127 2.189 0.000) 3.052 3.517 ( -0.743 -2.871 0.000) 2.966 3.517 ( 0.743 -2.871 0.000) 2.966 3.563 ( -1.342 5.294 0.000) 5.461 3.563 ( 1.342 5.294 0.000) 5.461 3.624 ( -1.702 0.554 0.000) 1.790 3.624 ( 1.702 0.554 0.000) 1.790 3.676 ( -1.144 -1.743 0.000) 2.085 3.676 ( 1.144 -1.743 0.000) 2.085 3.702 ( -0.137 -1.583 0.000) 1.589 3.702 ( 0.137 -1.583 0.000) 1.589 3.750 ( -4.454 1.554 0.000) 4.717 3.750 ( 4.454 1.554 0.000) 4.717 3.864 ( -1.296 1.425 0.000) 1.926 3.864 ( 1.296 1.425 0.000) 1.926 3.872 ( -1.364 -2.503 0.000) 2.851 3.872 ( 1.364 -2.503 0.000) 2.851 3.883 ( -2.013 -1.464 0.000) 2.489 3.883 ( 2.013 -1.464 0.000) 2.489 3.942 ( -3.146 2.176 0.000) 3.825 3.942 ( 3.146 2.176 0.000) 3.825 4.041 ( -0.197 -2.196 0.000) 2.205 4.041 ( 0.197 -2.196 0.000) 2.205 4.061 ( -0.701 -2.944 0.000) 3.026 4.061 ( 0.701 -2.944 0.000) 3.026 4.191 ( -0.345 2.064 0.000) 2.093 4.191 ( 0.345 2.064 0.000) 2.093 4.268 ( -0.643 0.596 0.000) 0.876 4.268 ( 0.643 0.596 0.000) 0.876 4.328 ( -0.369 -5.977 0.000) 5.988 4.328 ( 0.369 -5.977 0.000) 5.988 4.361 ( -1.931 -1.744 0.000) 2.602 4.361 ( 1.931 -1.744 0.000) 2.602 4.457 ( -0.324 1.531 0.000) 1.565 4.457 ( 0.324 1.531 0.000) 1.565 4.490 ( -2.905 -0.964 0.000) 3.061 4.490 ( 2.905 -0.964 0.000) 3.061 4.576 ( -0.714 -1.836 0.000) 1.970 4.576 ( 0.714 -1.836 0.000) 1.970 4.676 ( -0.246 7.000 0.000) 7.004 4.676 ( 0.246 7.000 0.000) 7.004 4.863 ( -2.065 7.842 0.000) 8.110 4.863 ( 2.065 7.842 0.000) 8.110 4.891 ( -2.778 4.754 0.000) 5.506 4.891 ( 2.778 4.754 0.000) 5.506 5.062 ( -3.470 6.709 0.000) 7.553 5.062 ( 3.470 6.709 0.000) 7.553 5.133 ( -3.430 -1.685 0.000) 3.821 5.133 ( 3.430 -1.685 0.000) 3.821 5.161 ( -3.426 5.722 0.000) 6.669 5.161 ( 3.426 5.722 0.000) 6.669 5.283 ( -0.618 2.687 0.000) 2.757 5.283 ( 0.618 2.687 0.000) 2.757 5.375 ( -0.666 -2.009 0.000) 2.117 5.375 ( 0.666 -2.009 0.000) 2.117 5.420 ( -0.739 1.468 0.000) 1.644 5.420 ( 0.739 1.468 0.000) 1.644 5.495 ( -0.377 0.463 0.000) 0.597 5.495 ( 0.377 0.463 0.000) 0.597 5.527 ( -0.187 0.634 0.000) 0.661 5.527 ( 0.187 0.634 0.000) 0.661 5.548 ( -4.145 3.312 0.000) 5.306 5.548 ( 4.145 3.312 0.000) 5.306 5.620 ( -2.434 -2.146 0.000) 3.245 5.620 ( 2.434 -2.146 0.000) 3.245 5.696 ( -3.955 5.334 0.000) 6.640 5.696 ( 3.955 5.334 0.000) 6.640 5.762 ( -1.416 1.261 0.000) 1.896 5.762 ( 1.416 1.261 0.000) 1.896 5.814 ( -2.067 -4.095 0.000) 4.587 5.814 ( 2.067 -4.095 0.000) 4.587 5.908 ( -2.884 0.375 0.000) 2.908 5.908 ( 2.884 0.375 0.000) 2.908 5.960 ( -1.956 -2.155 0.000) 2.910 5.960 ( 1.956 -2.155 0.000) 2.910 5.995 ( -2.451 2.676 0.000) 3.629 5.995 ( 2.451 2.676 0.000) 3.629 6.082 ( -2.355 -2.133 0.000) 3.177 6.082 ( 2.355 -2.133 0.000) 3.177 6.152 ( -5.835 -1.600 0.000) 6.050 6.152 ( 5.835 -1.600 0.000) 6.050 6.184 ( -1.379 -1.067 0.000) 1.744 6.184 ( 1.379 -1.067 0.000) 1.744 6.271 ( -2.519 -1.855 0.000) 3.129 6.271 ( 2.519 -1.855 0.000) 3.129 6.288 ( -1.029 0.245 0.000) 1.058 6.288 ( 1.029 0.245 0.000) 1.058 6.641 ( -1.156 1.923 0.000) 2.244 6.641 ( 1.156 1.923 0.000) 2.244 6.692 ( -2.303 -7.654 0.000) 7.993 6.692 ( 2.303 -7.654 0.000) 7.993 6.840 ( -0.847 -1.911 0.000) 2.090 6.840 ( 0.847 -1.911 0.000) 2.090 6.924 ( -3.532 2.452 0.000) 4.300 6.924 ( 3.532 2.452 0.000) 4.300 6.990 ( -0.014 -0.837 0.000) 0.837 6.990 ( 0.014 -0.837 0.000) 0.837 7.066 ( -0.599 -4.934 0.000) 4.971 7.066 ( 0.599 -4.934 0.000) 4.971 7.232 ( -1.637 2.719 0.000) 3.173 7.232 ( 1.637 2.719 0.000) 3.173 7.262 ( -2.279 2.657 0.000) 3.500 7.262 ( 2.279 2.657 0.000) 3.500 7.439 ( -1.778 0.551 0.000) 1.862 7.439 ( 1.778 0.551 0.000) 1.862 7.510 ( -0.483 2.273 0.000) 2.324 7.510 ( 0.483 2.273 0.000) 2.324 7.649 ( -2.194 -2.159 0.000) 3.078 7.649 ( 2.194 -2.159 0.000) 3.078 7.756 ( -4.536 0.972 0.000) 4.639 7.756 ( 4.536 0.972 0.000) 4.639 7.850 ( -8.092 -2.015 0.000) 8.339 7.850 ( 8.092 -2.015 0.000) 8.339 7.931 ( -3.270 -4.017 0.000) 5.180 7.931 ( 3.270 -4.017 0.000) 5.180 8.117 ( -0.641 3.564 0.000) 3.621 8.117 ( 0.641 3.564 0.000) 3.621 8.211 ( -0.002 -2.522 0.000) 2.522 8.211 ( 0.002 -2.522 0.000) 2.522 8.276 ( -4.815 0.920 0.000) 4.902 8.276 ( 4.815 0.920 0.000) 4.902 8.335 ( -4.679 1.630 0.000) 4.955 8.335 ( 4.679 1.630 0.000) 4.955 8.662 ( -0.204 -9.327 0.000) 9.329 8.662 ( 0.204 -9.327 0.000) 9.329 8.780 ( -2.931 0.080 0.000) 2.932 8.780 ( 2.931 0.080 0.000) 2.932 8.919 ( -2.919 -9.976 0.000) 10.395 8.919 ( 2.919 -9.976 0.000) 10.395 9.033 ( -0.900 -4.509 0.000) 4.598 9.033 ( 0.900 -4.509 0.000) 4.598 9.190 ( -0.398 1.997 0.000) 2.036 9.190 ( 0.398 1.997 0.000) 2.036 9.268 ( -7.826 -6.646 0.000) 10.268 9.268 ( 7.826 -6.646 0.000) 10.268 9.596 ( -5.418 -3.753 0.000) 6.591 9.596 ( 5.418 -3.753 0.000) 6.591 9.723 ( -4.419 -9.195 0.000) 10.202 9.723 ( 4.419 -9.195 0.000) 10.202 10.883 ( -1.407 10.318 0.000) 10.414 10.883 ( 1.407 10.318 0.000) 10.414 11.025 ( -0.897 4.078 0.000) 4.176 11.025 ( 0.897 4.078 0.000) 4.176 11.264 ( -2.295 4.563 0.000) 5.107 11.264 ( 2.295 4.563 0.000) 5.107 11.395 ( -1.323 2.220 0.000) 2.585 11.395 ( 1.323 2.220 0.000) 2.585 12.040 ( -0.418 7.835 0.000) 7.846 12.040 ( 0.418 7.835 0.000) 7.846 12.475 ( -0.753 -8.149 0.000) 8.183 12.475 ( 0.753 -8.149 0.000) 8.183 14.465 ( -1.582 2.337 0.000) 2.822 14.465 ( 1.582 2.337 0.000) 2.822 14.678 ( -4.744 -7.657 0.000) 9.007 14.678 ( 4.744 -7.657 0.000) 9.007 15.284 ( -0.245 6.569 0.000) 6.574 15.284 ( 0.245 6.569 0.000) 6.574 15.508 ( -0.299 -4.427 0.000) 4.437 15.508 ( 0.299 -4.427 0.000) 4.437 15.763 ( -2.239 3.331 0.000) 4.014 15.763 ( 2.239 3.331 0.000) 4.014 15.875 ( -1.886 -1.575 0.000) 2.457 15.875 ( 1.886 -1.575 0.000) 2.457 16.369 ( -2.286 2.455 0.000) 3.354 16.369 ( 2.286 2.455 0.000) 3.354 16.441 ( -3.610 1.170 0.000) 3.795 16.441 ( 3.610 1.170 0.000) 3.795 16.487 ( -0.096 -0.123 0.000) 0.156 16.487 ( 0.096 -0.123 0.000) 0.156 16.634 ( -4.597 -3.745 0.000) 5.929 16.634 ( 4.597 -3.745 0.000) 5.929 17.669 ( -0.490 1.176 0.000) 1.274 17.669 ( 0.490 1.176 0.000) 1.274 17.808 ( -3.583 -5.752 0.000) 6.777 17.808 ( 3.583 -5.752 0.000) 6.777 ======================= Grid point 9 (7/32) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 -6.001 0.000) 6.001 1.393 ( 0.000 6.001 0.000) 6.001 1.464 ( 0.000 -2.477 0.000) 2.477 1.464 ( 0.000 2.477 0.000) 2.477 1.667 ( 0.000 -12.215 0.000) 12.215 1.667 ( 0.000 12.215 0.000) 12.215 1.725 ( 0.000 -19.894 0.000) 19.894 1.725 ( 0.000 19.894 0.000) 19.894 1.901 ( 0.000 -12.592 0.000) 12.592 1.901 ( 0.000 12.592 0.000) 12.592 2.011 ( 0.000 -2.698 0.000) 2.698 2.011 ( 0.000 2.698 0.000) 2.698 2.426 ( 0.000 -0.479 0.000) 0.479 2.426 ( 0.000 0.479 0.000) 0.479 2.587 ( 0.000 -2.353 0.000) 2.353 2.587 ( 0.000 2.353 0.000) 2.353 2.628 ( 0.000 -2.828 0.000) 2.828 2.628 ( 0.000 2.828 0.000) 2.828 2.658 ( 0.000 -2.536 0.000) 2.536 2.658 ( 0.000 2.536 0.000) 2.536 2.718 ( 0.000 -11.334 0.000) 11.334 2.718 ( 0.000 11.334 0.000) 11.334 2.777 ( 0.000 -0.239 0.000) 0.239 2.777 ( 0.000 0.239 0.000) 0.239 2.901 ( 0.000 -2.793 0.000) 2.793 2.901 ( 0.000 2.793 0.000) 2.793 2.910 ( 0.000 -5.135 0.000) 5.135 2.910 ( 0.000 5.135 0.000) 5.135 3.039 ( 0.000 -0.464 0.000) 0.464 3.039 ( 0.000 0.464 0.000) 0.464 3.093 ( 0.000 -0.063 0.000) 0.063 3.093 ( 0.000 0.063 0.000) 0.063 3.231 ( 0.000 -8.305 0.000) 8.305 3.231 ( 0.000 8.305 0.000) 8.305 3.275 ( 0.000 -0.426 0.000) 0.426 3.275 ( 0.000 0.426 0.000) 0.426 3.281 ( 0.000 -0.878 0.000) 0.878 3.281 ( 0.000 0.878 0.000) 0.878 3.403 ( 0.000 -8.124 0.000) 8.124 3.403 ( 0.000 8.124 0.000) 8.124 3.404 ( 0.000 -4.169 0.000) 4.169 3.404 ( 0.000 4.169 0.000) 4.169 3.526 ( 0.000 -4.117 0.000) 4.117 3.526 ( 0.000 4.117 0.000) 4.117 3.559 ( 0.000 -1.450 0.000) 1.450 3.559 ( 0.000 1.450 0.000) 1.450 3.657 ( 0.000 -2.108 0.000) 2.108 3.657 ( 0.000 2.108 0.000) 2.108 3.661 ( 0.000 -0.832 0.000) 0.832 3.661 ( 0.000 0.832 0.000) 0.832 3.669 ( 0.000 -0.859 0.000) 0.859 3.669 ( 0.000 0.859 0.000) 0.859 3.751 ( 0.000 -0.891 0.000) 0.891 3.751 ( 0.000 0.891 0.000) 0.891 3.809 ( 0.000 -2.368 0.000) 2.368 3.809 ( 0.000 2.368 0.000) 2.368 3.871 ( 0.000 -3.042 0.000) 3.042 3.871 ( 0.000 3.042 0.000) 3.042 3.913 ( 0.000 -0.103 0.000) 0.103 3.913 ( 0.000 0.103 0.000) 0.103 3.929 ( 0.000 -0.852 0.000) 0.852 3.929 ( 0.000 0.852 0.000) 0.852 4.015 ( 0.000 -2.230 0.000) 2.230 4.015 ( 0.000 2.230 0.000) 2.230 4.091 ( 0.000 -6.054 0.000) 6.054 4.091 ( 0.000 6.054 0.000) 6.054 4.133 ( 0.000 -4.444 0.000) 4.444 4.133 ( 0.000 4.444 0.000) 4.444 4.280 ( 0.000 -0.362 0.000) 0.362 4.280 ( 0.000 0.362 0.000) 0.362 4.285 ( 0.000 -0.781 0.000) 0.781 4.285 ( 0.000 0.781 0.000) 0.781 4.372 ( 0.000 -4.428 0.000) 4.428 4.372 ( 0.000 4.428 0.000) 4.428 4.436 ( 0.000 -0.805 0.000) 0.805 4.436 ( 0.000 0.805 0.000) 0.805 4.505 ( 0.000 -1.033 0.000) 1.033 4.505 ( 0.000 1.033 0.000) 1.033 4.551 ( 0.000 -1.930 0.000) 1.930 4.551 ( 0.000 1.930 0.000) 1.930 4.734 ( 0.000 -5.306 0.000) 5.306 4.734 ( 0.000 5.306 0.000) 5.306 4.854 ( 0.000 -7.966 0.000) 7.966 4.854 ( 0.000 7.966 0.000) 7.966 5.023 ( 0.000 -2.410 0.000) 2.410 5.023 ( 0.000 2.410 0.000) 2.410 5.099 ( 0.000 -5.787 0.000) 5.787 5.099 ( 0.000 5.787 0.000) 5.787 5.208 ( 0.000 -8.358 0.000) 8.358 5.208 ( 0.000 8.358 0.000) 8.358 5.254 ( 0.000 -1.130 0.000) 1.130 5.254 ( 0.000 1.130 0.000) 1.130 5.325 ( 0.000 -2.740 0.000) 2.740 5.325 ( 0.000 2.740 0.000) 2.740 5.359 ( 0.000 -3.681 0.000) 3.681 5.359 ( 0.000 3.681 0.000) 3.681 5.433 ( 0.000 -1.885 0.000) 1.885 5.433 ( 0.000 1.885 0.000) 1.885 5.484 ( 0.000 -1.680 0.000) 1.680 5.484 ( 0.000 1.680 0.000) 1.680 5.563 ( 0.000 -1.855 0.000) 1.855 5.563 ( 0.000 1.855 0.000) 1.855 5.563 ( 0.000 -2.353 0.000) 2.353 5.563 ( 0.000 2.353 0.000) 2.353 5.585 ( 0.000 -0.180 0.000) 0.180 5.585 ( 0.000 0.180 0.000) 0.180 5.734 ( 0.000 -4.608 0.000) 4.608 5.734 ( 0.000 4.608 0.000) 4.608 5.771 ( 0.000 -4.265 0.000) 4.265 5.771 ( 0.000 4.265 0.000) 4.265 5.874 ( 0.000 -2.510 0.000) 2.510 5.874 ( 0.000 2.510 0.000) 2.510 5.894 ( 0.000 -0.150 0.000) 0.150 5.894 ( 0.000 0.150 0.000) 0.150 5.921 ( 0.000 -0.257 0.000) 0.257 5.921 ( 0.000 0.257 0.000) 0.257 5.989 ( 0.000 -2.446 0.000) 2.446 5.989 ( 0.000 2.446 0.000) 2.446 6.023 ( 0.000 -2.131 0.000) 2.131 6.023 ( 0.000 2.131 0.000) 2.131 6.145 ( 0.000 -0.400 0.000) 0.400 6.145 ( 0.000 0.400 0.000) 0.400 6.170 ( 0.000 -1.032 0.000) 1.032 6.170 ( 0.000 1.032 0.000) 1.032 6.236 ( 0.000 -0.561 0.000) 0.561 6.236 ( 0.000 0.561 0.000) 0.561 6.309 ( 0.000 -1.596 0.000) 1.596 6.309 ( 0.000 1.596 0.000) 1.596 6.584 ( 0.000 -2.969 0.000) 2.969 6.584 ( 0.000 2.969 0.000) 2.969 6.610 ( 0.000 -5.080 0.000) 5.080 6.610 ( 0.000 5.080 0.000) 5.080 6.877 ( 0.000 -2.259 0.000) 2.259 6.877 ( 0.000 2.259 0.000) 2.259 6.878 ( 0.000 -9.950 0.000) 9.950 6.878 ( 0.000 9.950 0.000) 9.950 6.998 ( 0.000 -4.188 0.000) 4.188 6.998 ( 0.000 4.188 0.000) 4.188 7.048 ( 0.000 -3.376 0.000) 3.376 7.048 ( 0.000 3.376 0.000) 3.376 7.290 ( 0.000 -0.277 0.000) 0.277 7.290 ( 0.000 0.277 0.000) 0.277 7.386 ( 0.000 -3.741 0.000) 3.741 7.386 ( 0.000 3.741 0.000) 3.741 7.413 ( 0.000 -3.647 0.000) 3.647 7.413 ( 0.000 3.647 0.000) 3.647 7.495 ( 0.000 -7.930 0.000) 7.930 7.495 ( 0.000 7.930 0.000) 7.930 7.627 ( 0.000 -5.286 0.000) 5.286 7.627 ( 0.000 5.286 0.000) 5.286 7.696 ( 0.000 -3.987 0.000) 3.987 7.696 ( 0.000 3.987 0.000) 3.987 7.760 ( 0.000 -4.627 0.000) 4.627 7.760 ( 0.000 4.627 0.000) 4.627 7.925 ( 0.000 -0.776 0.000) 0.776 7.925 ( 0.000 0.776 0.000) 0.776 8.173 ( 0.000 -1.231 0.000) 1.231 8.173 ( 0.000 1.231 0.000) 1.231 8.213 ( 0.000 -4.292 0.000) 4.292 8.213 ( 0.000 4.292 0.000) 4.292 8.352 ( 0.000 -7.629 0.000) 7.629 8.352 ( 0.000 7.629 0.000) 7.629 8.362 ( 0.000 -12.080 0.000) 12.080 8.362 ( 0.000 12.080 0.000) 12.080 8.581 ( 0.000 -5.840 0.000) 5.840 8.581 ( 0.000 5.840 0.000) 5.840 8.643 ( 0.000 -10.212 0.000) 10.212 8.643 ( 0.000 10.212 0.000) 10.212 8.772 ( 0.000 -3.854 0.000) 3.854 8.772 ( 0.000 3.854 0.000) 3.854 9.037 ( 0.000 -4.536 0.000) 4.536 9.037 ( 0.000 4.536 0.000) 4.536 9.213 ( 0.000 -1.969 0.000) 1.969 9.213 ( 0.000 1.969 0.000) 1.969 9.232 ( 0.000 -4.451 0.000) 4.451 9.232 ( 0.000 4.451 0.000) 4.451 9.482 ( 0.000 -2.261 0.000) 2.261 9.482 ( 0.000 2.261 0.000) 2.261 9.664 ( 0.000 -2.796 0.000) 2.796 9.664 ( 0.000 2.796 0.000) 2.796 11.028 ( 0.000 -4.196 0.000) 4.196 11.028 ( 0.000 4.196 0.000) 4.196 11.044 ( 0.000 -2.123 0.000) 2.123 11.044 ( 0.000 2.123 0.000) 2.123 11.357 ( 0.000 -5.220 0.000) 5.220 11.357 ( 0.000 5.220 0.000) 5.220 11.365 ( 0.000 -2.497 0.000) 2.497 11.365 ( 0.000 2.497 0.000) 2.497 12.251 ( 0.000 -11.309 0.000) 11.309 12.251 ( 0.000 11.309 0.000) 11.309 12.273 ( 0.000 -11.354 0.000) 11.354 12.273 ( 0.000 11.354 0.000) 11.354 14.503 ( 0.000 -3.580 0.000) 3.580 14.503 ( 0.000 3.580 0.000) 3.580 14.582 ( 0.000 -5.918 0.000) 5.918 14.582 ( 0.000 5.918 0.000) 5.918 15.403 ( 0.000 -4.994 0.000) 4.994 15.403 ( 0.000 4.994 0.000) 4.994 15.413 ( 0.000 -5.125 0.000) 5.125 15.413 ( 0.000 5.125 0.000) 5.125 15.829 ( 0.000 -0.238 0.000) 0.238 15.829 ( 0.000 0.238 0.000) 0.238 15.830 ( 0.000 -4.260 0.000) 4.260 15.830 ( 0.000 4.260 0.000) 4.260 16.373 ( 0.000 -1.810 0.000) 1.810 16.373 ( 0.000 1.810 0.000) 1.810 16.453 ( 0.000 -1.513 0.000) 1.513 16.453 ( 0.000 1.513 0.000) 1.513 16.523 ( 0.000 -2.907 0.000) 2.907 16.523 ( 0.000 2.907 0.000) 2.907 16.570 ( 0.000 -6.394 0.000) 6.394 16.570 ( 0.000 6.394 0.000) 6.394 17.692 ( 0.000 -1.792 0.000) 1.792 17.692 ( 0.000 1.792 0.000) 1.792 17.735 ( 0.000 -4.080 0.000) 4.080 17.735 ( 0.000 4.080 0.000) 4.080 ======================= Grid point 11 (8/32) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -2.509 -3.835 0.000) 4.582 1.446 ( 2.509 -3.835 0.000) 4.582 1.446 ( -2.509 3.835 0.000) 4.582 1.446 ( 2.509 3.835 0.000) 4.582 1.680 ( -2.157 -7.528 0.000) 7.832 1.680 ( 2.157 -7.528 0.000) 7.832 1.680 ( -2.157 7.528 0.000) 7.832 1.680 ( 2.157 7.528 0.000) 7.832 1.947 ( -3.375 -10.381 0.000) 10.916 1.947 ( 3.375 -10.381 0.000) 10.916 1.947 ( -3.375 10.381 0.000) 10.916 1.947 ( 3.375 10.381 0.000) 10.916 2.496 ( -4.370 -4.884 0.000) 6.554 2.496 ( 4.370 -4.884 0.000) 6.554 2.496 ( -4.370 4.884 0.000) 6.554 2.496 ( 4.370 4.884 0.000) 6.554 2.683 ( -2.041 -1.010 0.000) 2.277 2.683 ( -2.041 1.010 0.000) 2.277 2.683 ( 2.041 -1.010 0.000) 2.277 2.683 ( 2.041 1.010 0.000) 2.277 2.740 ( -1.615 -7.249 0.000) 7.427 2.740 ( 1.615 -7.249 0.000) 7.427 2.740 ( -1.615 7.249 0.000) 7.427 2.740 ( 1.615 7.249 0.000) 7.427 2.895 ( -0.336 -3.512 0.000) 3.528 2.895 ( 0.336 -3.512 0.000) 3.528 2.895 ( -0.336 3.512 0.000) 3.528 2.895 ( 0.336 3.512 0.000) 3.528 3.073 ( -1.791 -3.533 0.000) 3.961 3.073 ( 1.791 -3.533 0.000) 3.961 3.073 ( -1.791 3.533 0.000) 3.961 3.073 ( 1.791 3.533 0.000) 3.961 3.223 ( -1.610 -7.322 0.000) 7.497 3.223 ( 1.610 -7.322 0.000) 7.497 3.223 ( -1.610 7.322 0.000) 7.497 3.223 ( 1.610 7.322 0.000) 7.497 3.361 ( -4.105 -3.738 0.000) 5.552 3.361 ( 4.105 -3.738 0.000) 5.552 3.361 ( -4.105 3.738 0.000) 5.552 3.361 ( 4.105 3.738 0.000) 5.552 3.431 ( -3.230 -5.056 0.000) 5.999 3.431 ( 3.230 -5.056 0.000) 5.999 3.431 ( -3.230 5.056 0.000) 5.999 3.431 ( 3.230 5.056 0.000) 5.999 3.629 ( -2.781 -0.929 0.000) 2.932 3.629 ( -2.781 0.929 0.000) 2.932 3.629 ( 2.781 -0.929 0.000) 2.932 3.629 ( 2.781 0.929 0.000) 2.932 3.671 ( -0.165 -1.809 0.000) 1.817 3.671 ( 0.165 -1.809 0.000) 1.817 3.671 ( -0.165 1.809 0.000) 1.817 3.671 ( 0.165 1.809 0.000) 1.817 3.806 ( -0.704 -3.208 0.000) 3.284 3.806 ( 0.704 -3.208 0.000) 3.284 3.806 ( -0.704 3.208 0.000) 3.284 3.806 ( 0.704 3.208 0.000) 3.284 3.867 ( -2.697 -0.218 0.000) 2.706 3.867 ( -2.697 0.218 0.000) 2.706 3.867 ( 2.697 -0.218 0.000) 2.706 3.867 ( 2.697 0.218 0.000) 2.706 3.964 ( -2.859 -3.194 0.000) 4.287 3.964 ( 2.859 -3.194 0.000) 4.287 3.964 ( -2.859 3.194 0.000) 4.287 3.964 ( 2.859 3.194 0.000) 4.287 4.139 ( -1.270 -5.900 0.000) 6.035 4.139 ( 1.270 -5.900 0.000) 6.035 4.139 ( -1.270 5.900 0.000) 6.035 4.139 ( 1.270 5.900 0.000) 6.035 4.275 ( -0.035 -0.240 0.000) 0.243 4.275 ( 0.035 -0.240 0.000) 0.243 4.275 ( -0.035 0.240 0.000) 0.243 4.275 ( 0.035 0.240 0.000) 0.243 4.396 ( -1.891 -4.088 0.000) 4.504 4.396 ( 1.891 -4.088 0.000) 4.504 4.396 ( -1.891 4.088 0.000) 4.504 4.396 ( 1.891 4.088 0.000) 4.504 4.523 ( -1.535 -2.275 0.000) 2.744 4.523 ( 1.535 -2.275 0.000) 2.744 4.523 ( -1.535 2.275 0.000) 2.744 4.523 ( 1.535 2.275 0.000) 2.744 4.817 ( -4.368 -5.686 0.000) 7.170 4.817 ( 4.368 -5.686 0.000) 7.170 4.817 ( -4.368 5.686 0.000) 7.170 4.817 ( 4.368 5.686 0.000) 7.170 5.044 ( -2.918 -5.713 0.000) 6.415 5.044 ( 2.918 -5.713 0.000) 6.415 5.044 ( -2.918 5.713 0.000) 6.415 5.044 ( 2.918 5.713 0.000) 6.415 5.264 ( -1.138 -5.984 0.000) 6.091 5.264 ( 1.138 -5.984 0.000) 6.091 5.264 ( -1.138 5.984 0.000) 6.091 5.264 ( 1.138 5.984 0.000) 6.091 5.308 ( -0.231 -5.302 0.000) 5.307 5.308 ( 0.231 -5.302 0.000) 5.307 5.308 ( -0.231 5.302 0.000) 5.307 5.308 ( 0.231 5.302 0.000) 5.307 5.486 ( -0.472 -4.907 0.000) 4.930 5.486 ( 0.472 -4.907 0.000) 4.930 5.486 ( -0.472 4.907 0.000) 4.930 5.486 ( 0.472 4.907 0.000) 4.930 5.524 ( -0.092 -1.738 0.000) 1.741 5.524 ( 0.092 -1.738 0.000) 1.741 5.524 ( -0.092 1.738 0.000) 1.741 5.524 ( 0.092 1.738 0.000) 1.741 5.680 ( -5.082 -5.547 0.000) 7.523 5.680 ( 5.082 -5.547 0.000) 7.523 5.680 ( -5.082 5.547 0.000) 7.523 5.680 ( 5.082 5.547 0.000) 7.523 5.791 ( -3.706 -1.374 0.000) 3.953 5.791 ( -3.706 1.374 0.000) 3.953 5.791 ( 3.706 -1.374 0.000) 3.953 5.791 ( 3.706 1.374 0.000) 3.953 5.917 ( -2.720 -1.159 0.000) 2.957 5.917 ( -2.720 1.159 0.000) 2.957 5.917 ( 2.720 -1.159 0.000) 2.957 5.917 ( 2.720 1.159 0.000) 2.957 6.043 ( -2.187 -2.231 0.000) 3.124 6.043 ( 2.187 -2.231 0.000) 3.124 6.043 ( -2.187 2.231 0.000) 3.124 6.043 ( 2.187 2.231 0.000) 3.124 6.134 ( -2.503 -2.237 0.000) 3.357 6.134 ( 2.503 -2.237 0.000) 3.357 6.134 ( -2.503 2.237 0.000) 3.357 6.134 ( 2.503 2.237 0.000) 3.357 6.270 ( -1.935 -1.265 0.000) 2.311 6.270 ( 1.935 -1.265 0.000) 2.311 6.270 ( -1.935 1.265 0.000) 2.311 6.270 ( 1.935 1.265 0.000) 2.311 6.609 ( -0.691 -2.264 0.000) 2.367 6.609 ( 0.691 -2.264 0.000) 2.367 6.609 ( -0.691 2.264 0.000) 2.367 6.609 ( 0.691 2.264 0.000) 2.367 6.874 ( -0.197 -5.690 0.000) 5.693 6.874 ( 0.197 -5.690 0.000) 5.693 6.874 ( -0.197 5.690 0.000) 5.693 6.874 ( 0.197 5.690 0.000) 5.693 7.014 ( -1.788 -2.118 0.000) 2.772 7.014 ( 1.788 -2.118 0.000) 2.772 7.014 ( -1.788 2.118 0.000) 2.772 7.014 ( 1.788 2.118 0.000) 2.772 7.312 ( -2.003 -2.760 0.000) 3.410 7.312 ( 2.003 -2.760 0.000) 3.410 7.312 ( -2.003 2.760 0.000) 3.410 7.312 ( 2.003 2.760 0.000) 3.410 7.491 ( -4.222 -6.007 0.000) 7.342 7.491 ( 4.222 -6.007 0.000) 7.342 7.491 ( -4.222 6.007 0.000) 7.342 7.491 ( 4.222 6.007 0.000) 7.342 7.646 ( -2.624 -5.721 0.000) 6.294 7.646 ( 2.624 -5.721 0.000) 6.294 7.646 ( -2.624 5.721 0.000) 6.294 7.646 ( 2.624 5.721 0.000) 6.294 7.878 ( -5.941 -2.601 0.000) 6.486 7.878 ( -5.941 2.601 0.000) 6.486 7.878 ( 5.941 -2.601 0.000) 6.486 7.878 ( 5.941 2.601 0.000) 6.486 8.166 ( -1.221 -1.892 0.000) 2.252 8.166 ( 1.221 -1.892 0.000) 2.252 8.166 ( -1.221 1.892 0.000) 2.252 8.166 ( 1.221 1.892 0.000) 2.252 8.340 ( -0.357 -5.010 0.000) 5.022 8.340 ( 0.357 -5.010 0.000) 5.022 8.340 ( -0.357 5.010 0.000) 5.022 8.340 ( 0.357 5.010 0.000) 5.022 8.616 ( -1.933 -8.470 0.000) 8.688 8.616 ( 1.933 -8.470 0.000) 8.688 8.616 ( -1.933 8.470 0.000) 8.688 8.616 ( 1.933 8.470 0.000) 8.688 8.915 ( -8.000 -4.523 0.000) 9.190 8.915 ( 8.000 -4.523 0.000) 9.190 8.915 ( -8.000 4.523 0.000) 9.190 8.915 ( 8.000 4.523 0.000) 9.190 9.223 ( -0.671 -0.640 0.000) 0.927 9.223 ( 0.671 -0.640 0.000) 0.927 9.223 ( -0.671 0.640 0.000) 0.927 9.223 ( 0.671 0.640 0.000) 0.927 9.579 ( -5.770 -3.055 0.000) 6.529 9.579 ( 5.770 -3.055 0.000) 6.529 9.579 ( -5.770 3.055 0.000) 6.529 9.579 ( 5.770 3.055 0.000) 6.529 11.036 ( -0.541 -3.334 0.000) 3.377 11.036 ( 0.541 -3.334 0.000) 3.377 11.036 ( -0.541 3.334 0.000) 3.377 11.036 ( 0.541 3.334 0.000) 3.377 11.361 ( -0.278 -4.157 0.000) 4.166 11.361 ( 0.278 -4.157 0.000) 4.166 11.361 ( -0.278 4.157 0.000) 4.166 11.361 ( 0.278 4.157 0.000) 4.166 12.263 ( -0.693 -11.240 0.000) 11.261 12.263 ( 0.693 -11.240 0.000) 11.261 12.263 ( -0.693 11.240 0.000) 11.261 12.263 ( 0.693 11.240 0.000) 11.261 14.543 ( -2.585 -4.947 0.000) 5.581 14.543 ( 2.585 -4.947 0.000) 5.581 14.543 ( -2.585 4.947 0.000) 5.581 14.543 ( 2.585 4.947 0.000) 5.581 15.407 ( -0.302 -5.104 0.000) 5.113 15.407 ( 0.302 -5.104 0.000) 5.113 15.407 ( -0.302 5.104 0.000) 5.113 15.407 ( 0.302 5.104 0.000) 5.113 15.829 ( -0.031 -2.724 0.000) 2.724 15.829 ( 0.031 -2.724 0.000) 2.724 15.829 ( -0.031 2.724 0.000) 2.724 15.829 ( 0.031 2.724 0.000) 2.724 16.418 ( -2.629 -2.086 0.000) 3.356 16.418 ( 2.629 -2.086 0.000) 3.356 16.418 ( -2.629 2.086 0.000) 3.356 16.418 ( 2.629 2.086 0.000) 3.356 16.540 ( -1.464 -4.151 0.000) 4.401 16.540 ( 1.464 -4.151 0.000) 4.401 16.540 ( -1.464 4.151 0.000) 4.401 16.540 ( 1.464 4.151 0.000) 4.401 17.714 ( -1.377 -3.143 0.000) 3.431 17.714 ( 1.377 -3.143 0.000) 3.431 17.714 ( -1.377 3.143 0.000) 3.431 17.714 ( 1.377 3.143 0.000) 3.431 ======================= Grid point 21 (9/32) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.000 0.000 22.338) 22.338 0.597 ( 0.000 0.000 28.289) 28.289 0.985 ( 0.000 0.000 46.096) 46.096 1.204 ( 0.000 0.000 15.043) 15.043 1.216 ( 0.000 0.000 8.551) 8.551 1.269 ( 0.000 0.000 12.124) 12.124 1.509 ( 0.000 0.000 10.651) 10.651 1.886 ( 0.000 0.000 7.995) 7.995 1.898 ( 0.000 0.000 -0.658) 0.658 2.015 ( 0.000 0.000 10.322) 10.322 2.138 ( 0.000 0.000 5.229) 5.229 2.274 ( 0.000 0.000 0.221) 0.221 2.343 ( 0.000 0.000 -0.693) 0.693 2.450 ( 0.000 0.000 -4.595) 4.595 2.452 ( 0.000 0.000 -1.941) 1.941 2.523 ( 0.000 0.000 2.347) 2.347 2.531 ( 0.000 0.000 12.750) 12.750 2.580 ( 0.000 0.000 -2.044) 2.044 2.640 ( 0.000 0.000 -1.525) 1.525 2.671 ( 0.000 0.000 -1.016) 1.016 2.775 ( 0.000 0.000 5.809) 5.809 2.778 ( 0.000 0.000 -6.762) 6.762 2.819 ( 0.000 0.000 4.732) 4.732 2.847 ( 0.000 0.000 2.998) 2.998 2.870 ( 0.000 0.000 -4.875) 4.875 2.881 ( 0.000 0.000 1.910) 1.910 2.932 ( 0.000 0.000 4.640) 4.640 2.951 ( 0.000 0.000 -3.133) 3.133 3.037 ( 0.000 0.000 -2.052) 2.052 3.041 ( 0.000 0.000 -0.440) 0.440 3.051 ( 0.000 0.000 -7.447) 7.447 3.130 ( 0.000 0.000 3.293) 3.293 3.147 ( 0.000 0.000 -3.404) 3.404 3.151 ( 0.000 0.000 -2.491) 2.491 3.151 ( 0.000 0.000 6.729) 6.729 3.238 ( 0.000 0.000 6.592) 6.592 3.266 ( 0.000 0.000 -3.405) 3.405 3.278 ( 0.000 0.000 -3.807) 3.807 3.290 ( 0.000 0.000 -4.962) 4.962 3.300 ( 0.000 0.000 -0.952) 0.952 3.375 ( 0.000 0.000 0.851) 0.851 3.376 ( 0.000 0.000 -0.384) 0.384 3.437 ( 0.000 0.000 -2.206) 2.206 3.449 ( 0.000 0.000 -3.327) 3.327 3.478 ( 0.000 0.000 -1.726) 1.726 3.520 ( 0.000 0.000 -5.119) 5.119 3.579 ( 0.000 0.000 1.695) 1.695 3.587 ( 0.000 0.000 -4.230) 4.230 3.614 ( 0.000 0.000 8.399) 8.399 3.631 ( 0.000 0.000 1.381) 1.381 3.661 ( 0.000 0.000 -0.304) 0.304 3.798 ( 0.000 0.000 0.196) 0.196 3.804 ( 0.000 0.000 -0.788) 0.788 3.804 ( 0.000 0.000 1.865) 1.865 3.828 ( 0.000 0.000 -6.140) 6.140 3.837 ( 0.000 0.000 -3.896) 3.896 3.873 ( 0.000 0.000 -3.297) 3.297 3.878 ( 0.000 0.000 4.121) 4.121 3.935 ( 0.000 0.000 0.563) 0.563 3.959 ( 0.000 0.000 -6.884) 6.884 4.003 ( 0.000 0.000 -0.044) 0.044 4.009 ( 0.000 0.000 4.783) 4.783 4.039 ( 0.000 0.000 -6.090) 6.090 4.113 ( 0.000 0.000 5.486) 5.486 4.123 ( 0.000 0.000 -0.053) 0.053 4.175 ( 0.000 0.000 0.223) 0.223 4.193 ( 0.000 0.000 0.592) 0.592 4.197 ( 0.000 0.000 -0.132) 0.132 4.205 ( 0.000 0.000 1.123) 1.123 4.259 ( 0.000 0.000 6.175) 6.175 4.328 ( 0.000 0.000 -5.051) 5.051 4.328 ( 0.000 0.000 7.259) 7.259 4.373 ( 0.000 0.000 -1.867) 1.867 4.375 ( 0.000 0.000 3.471) 3.471 4.402 ( 0.000 0.000 -0.421) 0.421 4.411 ( 0.000 0.000 -3.044) 3.044 4.439 ( 0.000 0.000 3.678) 3.678 4.474 ( 0.000 0.000 -0.156) 0.156 4.484 ( 0.000 0.000 -6.051) 6.051 4.550 ( 0.000 0.000 0.427) 0.427 4.605 ( 0.000 0.000 -0.350) 0.350 4.676 ( 0.000 0.000 -2.808) 2.808 4.713 ( 0.000 0.000 -4.508) 4.508 4.724 ( 0.000 0.000 -2.894) 2.894 4.727 ( 0.000 0.000 7.201) 7.201 4.783 ( 0.000 0.000 5.530) 5.530 4.830 ( 0.000 0.000 2.098) 2.098 4.899 ( 0.000 0.000 -5.634) 5.634 4.963 ( 0.000 0.000 -4.115) 4.115 4.982 ( 0.000 0.000 -3.843) 3.843 5.055 ( 0.000 0.000 -5.756) 5.756 5.135 ( 0.000 0.000 -3.319) 3.319 5.163 ( 0.000 0.000 -3.721) 3.721 5.222 ( 0.000 0.000 -2.731) 2.731 5.322 ( 0.000 0.000 -5.459) 5.459 5.322 ( 0.000 0.000 1.465) 1.465 5.407 ( 0.000 0.000 -0.683) 0.683 5.417 ( 0.000 0.000 -3.794) 3.794 5.428 ( 0.000 0.000 -6.901) 6.901 5.446 ( 0.000 0.000 -2.436) 2.436 5.467 ( 0.000 0.000 0.380) 0.380 5.521 ( 0.000 0.000 -0.657) 0.657 5.540 ( 0.000 0.000 -0.349) 0.349 5.576 ( 0.000 0.000 1.676) 1.676 5.577 ( 0.000 0.000 -1.396) 1.396 5.598 ( 0.000 0.000 -0.668) 0.668 5.615 ( 0.000 0.000 1.901) 1.901 5.743 ( 0.000 0.000 -1.212) 1.212 5.744 ( 0.000 0.000 -0.764) 0.764 5.748 ( 0.000 0.000 -5.883) 5.883 5.763 ( 0.000 0.000 -12.255) 12.255 5.764 ( 0.000 0.000 -3.638) 3.638 5.813 ( 0.000 0.000 -4.295) 4.295 5.876 ( 0.000 0.000 -1.249) 1.249 5.884 ( 0.000 0.000 -1.640) 1.640 5.901 ( 0.000 0.000 2.497) 2.497 5.946 ( 0.000 0.000 -0.501) 0.501 5.956 ( 0.000 0.000 2.096) 2.096 6.019 ( 0.000 0.000 2.780) 2.780 6.089 ( 0.000 0.000 -2.004) 2.004 6.095 ( 0.000 0.000 1.995) 1.995 6.156 ( 0.000 0.000 2.813) 2.813 6.156 ( 0.000 0.000 -1.435) 1.435 6.266 ( 0.000 0.000 9.460) 9.460 6.272 ( 0.000 0.000 -6.673) 6.673 6.336 ( 0.000 0.000 1.816) 1.816 6.381 ( 0.000 0.000 7.409) 7.409 6.417 ( 0.000 0.000 1.001) 1.001 6.518 ( 0.000 0.000 4.819) 4.819 6.525 ( 0.000 0.000 12.483) 12.483 6.587 ( 0.000 0.000 17.246) 17.246 6.755 ( 0.000 0.000 -2.253) 2.253 6.772 ( 0.000 0.000 0.979) 0.979 6.853 ( 0.000 0.000 -6.581) 6.581 6.923 ( 0.000 0.000 -5.845) 5.845 6.953 ( 0.000 0.000 -0.948) 0.948 7.011 ( 0.000 0.000 -3.699) 3.699 7.109 ( 0.000 0.000 -8.397) 8.397 7.188 ( 0.000 0.000 -2.567) 2.567 7.193 ( 0.000 0.000 2.335) 2.335 7.197 ( 0.000 0.000 -4.892) 4.892 7.301 ( 0.000 0.000 0.714) 0.714 7.306 ( 0.000 0.000 -0.740) 0.740 7.354 ( 0.000 0.000 0.051) 0.051 7.362 ( 0.000 0.000 0.095) 0.095 7.379 ( 0.000 0.000 0.668) 0.668 7.492 ( 0.000 0.000 2.875) 2.875 7.512 ( 0.000 0.000 -2.490) 2.490 7.617 ( 0.000 0.000 4.559) 4.559 7.654 ( 0.000 0.000 1.169) 1.169 7.675 ( 0.000 0.000 7.181) 7.181 7.868 ( 0.000 0.000 -0.260) 0.260 7.901 ( 0.000 0.000 7.774) 7.774 7.988 ( 0.000 0.000 -2.019) 2.019 8.033 ( 0.000 0.000 8.619) 8.619 8.041 ( 0.000 0.000 5.890) 5.890 8.074 ( 0.000 0.000 -0.715) 0.715 8.210 ( 0.000 0.000 -0.772) 0.772 8.218 ( 0.000 0.000 -0.123) 0.123 8.236 ( 0.000 0.000 7.576) 7.576 8.351 ( 0.000 0.000 -0.606) 0.606 8.390 ( 0.000 0.000 -4.425) 4.425 8.413 ( 0.000 0.000 -1.369) 1.369 8.452 ( 0.000 0.000 -4.989) 4.989 8.686 ( 0.000 0.000 -2.720) 2.720 8.783 ( 0.000 0.000 -5.174) 5.174 8.797 ( 0.000 0.000 6.331) 6.331 8.988 ( 0.000 0.000 -5.843) 5.843 9.100 ( 0.000 0.000 1.836) 1.836 9.122 ( 0.000 0.000 0.529) 0.529 9.241 ( 0.000 0.000 3.156) 3.156 9.355 ( 0.000 0.000 -1.198) 1.198 9.412 ( 0.000 0.000 -0.083) 0.083 9.430 ( 0.000 0.000 -2.226) 2.226 9.590 ( 0.000 0.000 -2.523) 2.523 9.645 ( 0.000 0.000 -8.275) 8.275 9.655 ( 0.000 0.000 -3.197) 3.197 9.733 ( 0.000 0.000 0.828) 0.828 9.764 ( 0.000 0.000 5.502) 5.502 9.798 ( 0.000 0.000 -4.962) 4.962 10.481 ( 0.000 0.000 -7.736) 7.736 10.509 ( 0.000 0.000 3.265) 3.265 10.622 ( 0.000 0.000 -1.779) 1.779 10.960 ( 0.000 0.000 -4.305) 4.305 11.122 ( 0.000 0.000 3.874) 3.874 11.218 ( 0.000 0.000 8.569) 8.569 11.297 ( 0.000 0.000 1.728) 1.728 11.346 ( 0.000 0.000 5.335) 5.335 11.951 ( 0.000 0.000 0.850) 0.850 11.963 ( 0.000 0.000 0.412) 0.412 12.629 ( 0.000 0.000 -0.435) 0.435 12.664 ( 0.000 0.000 -0.912) 0.912 14.422 ( 0.000 0.000 0.324) 0.324 14.501 ( 0.000 0.000 -0.498) 0.498 14.755 ( 0.000 0.000 -1.334) 1.334 14.942 ( 0.000 0.000 0.252) 0.252 14.945 ( 0.000 0.000 0.266) 0.266 15.109 ( 0.000 0.000 0.268) 0.268 15.113 ( 0.000 0.000 0.302) 0.302 15.332 ( 0.000 0.000 -19.078) 19.078 15.839 ( 0.000 0.000 2.050) 2.050 15.867 ( 0.000 0.000 2.391) 2.391 15.921 ( 0.000 0.000 -1.963) 1.963 15.922 ( 0.000 0.000 2.082) 2.082 16.154 ( 0.000 0.000 -0.122) 0.122 16.179 ( 0.000 0.000 -0.471) 0.471 16.272 ( 0.000 0.000 -1.387) 1.387 16.302 ( 0.000 0.000 -1.784) 1.784 16.501 ( 0.000 0.000 1.719) 1.719 16.562 ( 0.000 0.000 3.537) 3.537 16.611 ( 0.000 0.000 5.745) 5.745 17.034 ( 0.000 0.000 -4.432) 4.432 17.743 ( 0.000 0.000 7.366) 7.366 17.832 ( 0.000 0.000 2.867) 2.867 18.101 ( 0.000 0.000 0.445) 0.445 18.159 ( 0.000 0.000 0.304) 0.304 ======================= Grid point 22 (10/32) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -18.105 0.000 15.171) 23.621 0.768 ( 18.105 0.000 15.171) 23.621 0.869 ( -18.405 0.000 19.049) 26.488 0.869 ( 18.405 0.000 19.049) 26.488 1.339 ( -23.333 0.000 27.963) 36.419 1.339 ( 23.333 0.000 27.963) 36.419 1.650 ( -17.258 0.000 6.265) 18.360 1.650 ( 17.258 0.000 6.265) 18.360 1.883 ( -16.674 0.000 7.404) 18.244 1.883 ( 16.674 0.000 7.404) 18.244 2.281 ( -8.035 0.000 0.040) 8.035 2.281 ( 8.035 0.000 0.040) 8.035 2.404 ( -2.968 0.000 -2.173) 3.678 2.404 ( 2.968 0.000 -2.173) 3.678 2.461 ( -1.395 0.000 0.223) 1.412 2.461 ( 1.395 0.000 0.223) 1.412 2.605 ( -1.534 0.000 -1.638) 2.244 2.605 ( 1.534 0.000 -1.638) 2.244 2.729 ( -10.892 0.000 -1.424) 10.985 2.729 ( 10.892 0.000 -1.424) 10.985 2.765 ( -4.086 0.000 1.535) 4.365 2.765 ( 4.086 0.000 1.535) 4.365 2.802 ( -0.217 0.000 -0.401) 0.456 2.802 ( 0.217 0.000 -0.401) 0.456 2.868 ( -2.074 0.000 2.932) 3.591 2.868 ( 2.074 0.000 2.932) 3.591 2.939 ( -3.376 0.000 0.691) 3.446 2.939 ( 3.376 0.000 0.691) 3.446 3.044 ( -3.717 0.000 1.988) 4.215 3.044 ( 3.717 0.000 1.988) 4.215 3.117 ( -3.071 0.000 -4.264) 5.255 3.117 ( 3.071 0.000 -4.264) 5.255 3.140 ( -2.451 0.000 -5.636) 6.146 3.140 ( 2.451 0.000 -5.636) 6.146 3.199 ( -2.760 0.000 6.481) 7.044 3.199 ( 2.760 0.000 6.481) 7.044 3.273 ( -1.749 0.000 -0.022) 1.749 3.273 ( 1.749 0.000 -0.022) 1.749 3.294 ( -1.907 0.000 -5.873) 6.175 3.294 ( 1.907 0.000 -5.873) 6.175 3.365 ( -1.544 0.000 -1.056) 1.871 3.365 ( 1.544 0.000 -1.056) 1.871 3.439 ( -1.443 0.000 -3.984) 4.237 3.439 ( 1.443 0.000 -3.984) 4.237 3.458 ( -5.834 0.000 5.211) 7.822 3.458 ( 5.834 0.000 5.211) 7.822 3.591 ( -1.854 0.000 -2.716) 3.288 3.591 ( 1.854 0.000 -2.716) 3.288 3.667 ( -1.943 0.000 1.558) 2.490 3.667 ( 1.943 0.000 1.558) 2.490 3.742 ( -5.959 0.000 2.410) 6.428 3.742 ( 5.959 0.000 2.410) 6.428 3.800 ( -1.137 0.000 -1.652) 2.006 3.800 ( 1.137 0.000 -1.652) 2.006 3.803 ( -1.814 0.000 -2.702) 3.255 3.803 ( 1.814 0.000 -2.702) 3.255 3.895 ( -2.981 0.000 -1.197) 3.213 3.895 ( 2.981 0.000 -1.197) 3.213 3.926 ( -2.703 0.000 -3.905) 4.749 3.926 ( 2.703 0.000 -3.905) 4.749 3.999 ( -2.786 0.000 1.276) 3.065 3.999 ( 2.786 0.000 1.276) 3.065 4.081 ( -3.928 0.000 -0.940) 4.039 4.081 ( 3.928 0.000 -0.940) 4.039 4.126 ( -0.786 0.000 1.972) 2.123 4.126 ( 0.786 0.000 1.972) 2.123 4.199 ( -0.444 0.000 2.154) 2.200 4.199 ( 0.444 0.000 2.154) 2.200 4.268 ( -5.642 0.000 1.965) 5.974 4.268 ( 5.642 0.000 1.965) 5.974 4.299 ( -2.809 0.000 3.505) 4.492 4.299 ( 2.809 0.000 3.505) 4.492 4.379 ( -3.182 0.000 -2.439) 4.010 4.379 ( 3.182 0.000 -2.439) 4.010 4.411 ( -0.282 0.000 -2.633) 2.648 4.411 ( 0.282 0.000 -2.633) 2.648 4.425 ( -1.588 0.000 2.596) 3.043 4.425 ( 1.588 0.000 2.596) 3.043 4.536 ( -4.142 0.000 1.114) 4.290 4.536 ( 4.142 0.000 1.114) 4.290 4.645 ( -4.890 0.000 -4.213) 6.455 4.645 ( 4.890 0.000 -4.213) 6.455 4.718 ( -1.400 0.000 0.197) 1.413 4.718 ( 1.400 0.000 0.197) 1.413 4.786 ( -3.130 0.000 3.887) 4.991 4.786 ( 3.130 0.000 3.887) 4.991 4.849 ( -4.862 0.000 -2.301) 5.379 4.849 ( 4.862 0.000 -2.301) 5.379 4.973 ( -0.630 0.000 -3.694) 3.748 4.973 ( 0.630 0.000 -3.694) 3.748 5.141 ( -0.753 0.000 -3.886) 3.958 5.141 ( 0.753 0.000 -3.886) 3.958 5.165 ( -6.172 0.000 -8.530) 10.529 5.165 ( 6.172 0.000 -8.530) 10.529 5.329 ( -3.979 0.000 -3.708) 5.439 5.329 ( 3.979 0.000 -3.708) 5.439 5.405 ( -4.089 0.000 0.298) 4.100 5.405 ( 4.089 0.000 0.298) 4.100 5.457 ( -2.607 0.000 -4.652) 5.333 5.457 ( 2.607 0.000 -4.652) 5.333 5.464 ( -2.428 0.000 -0.868) 2.578 5.464 ( 2.428 0.000 -0.868) 2.578 5.503 ( -1.454 0.000 0.332) 1.491 5.503 ( 1.454 0.000 0.332) 1.491 5.653 ( -1.228 0.000 0.479) 1.318 5.653 ( 1.228 0.000 0.479) 1.318 5.668 ( -4.697 0.000 -3.289) 5.734 5.668 ( 4.697 0.000 -3.289) 5.734 5.742 ( -0.598 0.000 -1.709) 1.811 5.742 ( 0.598 0.000 -1.709) 1.811 5.752 ( -2.271 0.000 -3.769) 4.401 5.752 ( 2.271 0.000 -3.769) 4.401 5.834 ( -2.683 0.000 -6.469) 7.003 5.834 ( 2.683 0.000 -6.469) 7.003 5.960 ( -2.238 0.000 1.407) 2.644 5.960 ( 2.238 0.000 1.407) 2.644 5.995 ( -3.706 0.000 -1.995) 4.209 5.995 ( 3.706 0.000 -1.995) 4.209 6.080 ( -6.791 0.000 4.206) 7.988 6.080 ( 6.791 0.000 4.206) 7.988 6.141 ( -4.330 0.000 3.512) 5.576 6.141 ( 4.330 0.000 3.512) 5.576 6.157 ( -3.532 0.000 -3.247) 4.798 6.157 ( 3.532 0.000 -3.247) 4.798 6.212 ( -2.914 0.000 -0.929) 3.059 6.212 ( 2.914 0.000 -0.929) 3.059 6.503 ( -2.603 0.000 1.166) 2.853 6.503 ( 2.603 0.000 1.166) 2.853 6.517 ( -5.838 0.000 13.422) 14.637 6.517 ( 5.838 0.000 13.422) 14.637 6.621 ( -6.931 0.000 5.404) 8.788 6.621 ( 6.931 0.000 5.404) 8.788 6.808 ( -3.714 0.000 -8.341) 9.130 6.808 ( 3.714 0.000 -8.341) 9.130 6.940 ( -3.827 0.000 -2.572) 4.611 6.940 ( 3.827 0.000 -2.572) 4.611 7.085 ( -3.314 0.000 -3.332) 4.699 7.085 ( 3.314 0.000 -3.332) 4.699 7.247 ( -2.565 0.000 -3.113) 4.034 7.247 ( 2.565 0.000 -3.113) 4.034 7.276 ( -2.788 0.000 0.611) 2.854 7.276 ( 2.788 0.000 0.611) 2.854 7.358 ( -0.245 0.000 0.058) 0.252 7.358 ( 0.245 0.000 0.058) 0.252 7.363 ( -13.309 0.000 4.593) 14.079 7.363 ( 13.309 0.000 4.593) 14.079 7.430 ( -4.640 0.000 -0.730) 4.697 7.430 ( 4.640 0.000 -0.730) 4.697 7.550 ( -3.376 0.000 4.216) 5.401 7.550 ( 3.376 0.000 4.216) 5.401 7.772 ( -3.646 0.000 4.901) 6.108 7.772 ( 3.646 0.000 4.901) 6.108 7.925 ( -2.117 0.000 8.430) 8.691 7.925 ( 2.117 0.000 8.430) 8.691 8.007 ( -1.245 0.000 2.385) 2.690 8.007 ( 1.245 0.000 2.385) 2.690 8.213 ( -0.241 0.000 -0.366) 0.438 8.213 ( 0.241 0.000 -0.366) 0.438 8.239 ( -8.195 0.000 0.199) 8.198 8.239 ( 8.195 0.000 0.199) 8.198 8.370 ( -6.704 0.000 5.514) 8.680 8.370 ( 6.704 0.000 5.514) 8.680 8.385 ( -1.983 0.000 -1.104) 2.270 8.385 ( 1.983 0.000 -1.104) 2.270 8.614 ( -3.852 0.000 -0.966) 3.971 8.614 ( 3.852 0.000 -0.966) 3.971 8.923 ( -6.388 0.000 0.071) 6.389 8.923 ( 6.388 0.000 0.071) 6.389 9.125 ( -3.152 0.000 0.719) 3.233 9.125 ( 3.152 0.000 0.719) 3.233 9.387 ( -2.328 0.000 -1.615) 2.833 9.387 ( 2.328 0.000 -1.615) 2.833 9.389 ( -9.382 0.000 -0.557) 9.398 9.389 ( 9.382 0.000 -0.557) 9.398 9.522 ( -4.632 0.000 -2.616) 5.320 9.522 ( 4.632 0.000 -2.616) 5.320 9.628 ( -2.021 0.000 -2.955) 3.580 9.628 ( 2.021 0.000 -2.955) 3.580 9.943 ( -4.141 0.000 -5.056) 6.536 9.943 ( 4.141 0.000 -5.056) 6.536 10.469 ( -1.086 0.000 -3.616) 3.776 10.469 ( 1.086 0.000 -3.616) 3.776 10.777 ( -8.864 0.000 0.907) 8.911 10.777 ( 8.864 0.000 0.907) 8.911 11.165 ( -3.063 0.000 5.162) 6.003 11.165 ( 3.063 0.000 5.162) 6.003 11.321 ( -1.649 0.000 5.228) 5.482 11.321 ( 1.649 0.000 5.228) 5.482 11.969 ( -1.096 0.000 -0.043) 1.096 11.969 ( 1.096 0.000 -0.043) 1.096 12.647 ( -1.158 0.000 -0.719) 1.363 12.647 ( 1.158 0.000 -0.719) 1.363 14.457 ( -2.776 0.000 -0.189) 2.783 14.457 ( 2.776 0.000 -0.189) 2.783 14.943 ( -0.068 0.000 0.259) 0.268 14.943 ( 0.068 0.000 0.259) 0.268 15.111 ( -0.135 0.000 0.285) 0.315 15.111 ( 0.135 0.000 0.285) 0.315 15.142 ( -15.553 0.000 -18.921) 24.493 15.142 ( 15.553 0.000 -18.921) 24.493 15.860 ( -1.378 0.000 2.943) 3.250 15.860 ( 1.378 0.000 2.943) 3.250 15.916 ( -1.233 0.000 -0.543) 1.348 15.916 ( 1.233 0.000 -0.543) 1.348 16.165 ( -0.766 0.000 -0.272) 0.813 16.165 ( 0.766 0.000 -0.272) 0.813 16.289 ( -0.946 0.000 -1.610) 1.868 16.289 ( 0.946 0.000 -1.610) 1.868 16.507 ( -0.958 0.000 2.030) 2.244 16.507 ( 0.958 0.000 2.030) 2.244 16.810 ( -11.658 0.000 5.012) 12.690 16.810 ( 11.658 0.000 5.012) 12.690 17.771 ( -2.391 0.000 7.395) 7.771 17.771 ( 2.391 0.000 7.395) 7.771 18.111 ( -1.186 0.000 1.101) 1.618 18.111 ( 1.186 0.000 1.101) 1.618 ======================= Grid point 24 (11/32) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 18.842 13.704) 23.299 0.772 ( 0.000 17.905 17.853) 25.284 1.263 ( 0.000 2.175 11.724) 11.924 1.299 ( 0.000 7.254 12.128) 14.131 1.301 ( 0.000 7.433 8.166) 11.042 1.424 ( 0.000 11.575 17.069) 20.623 1.537 ( 0.000 22.674 21.673) 31.366 1.972 ( 0.000 1.290 3.723) 3.940 2.002 ( 0.000 -2.547 -1.782) 3.108 2.047 ( 0.000 2.254 0.474) 2.303 2.189 ( 0.000 -1.627 8.446) 8.601 2.272 ( 0.000 1.937 -2.689) 3.313 2.304 ( 0.000 13.007 5.505) 14.124 2.506 ( 0.000 -7.339 -1.352) 7.463 2.519 ( 0.000 3.494 0.158) 3.497 2.521 ( 0.000 2.247 7.423) 7.756 2.537 ( 0.000 4.282 -3.360) 5.443 2.601 ( 0.000 -4.957 2.523) 5.562 2.632 ( 0.000 3.665 0.314) 3.678 2.712 ( 0.000 1.926 0.960) 2.152 2.743 ( 0.000 3.604 2.288) 4.269 2.761 ( 0.000 -1.551 -0.889) 1.787 2.782 ( 0.000 -1.692 1.918) 2.558 2.843 ( 0.000 -1.165 4.332) 4.486 2.846 ( 0.000 -0.851 0.502) 0.988 2.895 ( 0.000 1.699 -1.786) 2.465 2.923 ( 0.000 -5.247 -2.312) 5.733 2.973 ( 0.000 -0.725 -2.314) 2.425 2.985 ( 0.000 2.574 3.539) 4.376 3.046 ( 0.000 -1.413 0.571) 1.524 3.050 ( 0.000 -3.722 1.200) 3.911 3.113 ( 0.000 -1.793 2.713) 3.252 3.118 ( 0.000 0.232 -3.645) 3.652 3.121 ( 0.000 -1.916 -1.025) 2.173 3.161 ( 0.000 -3.624 3.918) 5.337 3.182 ( 0.000 1.369 -4.380) 4.589 3.189 ( 0.000 -2.459 -7.873) 8.248 3.249 ( 0.000 -0.251 4.968) 4.974 3.300 ( 0.000 -1.694 -1.425) 2.214 3.335 ( 0.000 5.082 -3.406) 6.118 3.385 ( 0.000 0.188 -1.167) 1.182 3.388 ( 0.000 -0.247 -3.129) 3.139 3.411 ( 0.000 -2.762 0.356) 2.785 3.455 ( 0.000 1.593 -3.716) 4.044 3.475 ( 0.000 1.099 -2.950) 3.148 3.573 ( 0.000 -1.469 -0.060) 1.470 3.578 ( 0.000 3.467 -1.956) 3.981 3.591 ( 0.000 -1.732 2.859) 3.343 3.637 ( 0.000 2.517 -2.700) 3.691 3.652 ( 0.000 -0.045 -1.944) 1.945 3.660 ( 0.000 4.818 1.462) 5.034 3.745 ( 0.000 -2.636 -1.438) 3.003 3.747 ( 0.000 -3.377 -1.413) 3.661 3.784 ( 0.000 -3.345 2.755) 4.333 3.797 ( 0.000 0.659 2.802) 2.878 3.829 ( 0.000 -0.880 -1.120) 1.424 3.862 ( 0.000 1.934 -2.020) 2.797 3.890 ( 0.000 2.253 0.871) 2.415 3.951 ( 0.000 -1.451 -0.646) 1.588 3.994 ( 0.000 0.410 -2.278) 2.315 4.004 ( 0.000 -0.748 6.664) 6.706 4.035 ( 0.000 0.733 0.304) 0.793 4.060 ( 0.000 -6.389 -0.803) 6.439 4.085 ( 0.000 -1.124 0.319) 1.169 4.103 ( 0.000 3.945 1.515) 4.226 4.123 ( 0.000 -0.216 3.674) 3.680 4.202 ( 0.000 0.051 0.656) 0.658 4.220 ( 0.000 1.147 3.485) 3.669 4.236 ( 0.000 -0.613 3.736) 3.786 4.283 ( 0.000 5.818 -2.665) 6.399 4.311 ( 0.000 -0.452 1.972) 2.024 4.341 ( 0.000 -3.088 -3.015) 4.316 4.383 ( 0.000 1.066 -2.383) 2.610 4.390 ( 0.000 4.621 1.637) 4.903 4.399 ( 0.000 0.656 -1.783) 1.899 4.431 ( 0.000 -0.811 -1.367) 1.590 4.509 ( 0.000 -2.787 -5.429) 6.103 4.513 ( 0.000 9.847 0.884) 9.887 4.567 ( 0.000 -1.357 2.119) 2.516 4.573 ( 0.000 3.797 -1.169) 3.973 4.611 ( 0.000 0.970 1.817) 2.059 4.628 ( 0.000 5.524 2.337) 5.998 4.690 ( 0.000 -0.983 3.668) 3.798 4.695 ( 0.000 -2.613 -1.707) 3.121 4.788 ( 0.000 9.064 3.086) 9.575 4.811 ( 0.000 5.498 2.556) 6.063 4.921 ( 0.000 1.708 -1.480) 2.260 4.967 ( 0.000 7.348 -1.164) 7.439 4.981 ( 0.000 -1.068 -2.174) 2.422 5.024 ( 0.000 2.103 -5.220) 5.628 5.087 ( 0.000 4.932 -5.775) 7.594 5.116 ( 0.000 -1.395 -2.183) 2.590 5.224 ( 0.000 5.208 -4.988) 7.212 5.295 ( 0.000 3.961 -5.469) 6.753 5.301 ( 0.000 -0.776 -2.925) 3.026 5.336 ( 0.000 -3.651 -2.800) 4.601 5.381 ( 0.000 -2.239 -3.887) 4.486 5.395 ( 0.000 3.899 1.196) 4.078 5.424 ( 0.000 -1.222 -0.186) 1.237 5.432 ( 0.000 -1.947 0.354) 1.979 5.435 ( 0.000 0.650 -4.157) 4.208 5.524 ( 0.000 0.041 -1.139) 1.140 5.550 ( 0.000 -1.888 -2.435) 3.081 5.557 ( 0.000 0.153 -1.326) 1.335 5.584 ( 0.000 -0.994 -0.414) 1.076 5.644 ( 0.000 1.514 0.247) 1.534 5.652 ( 0.000 6.691 1.277) 6.811 5.673 ( 0.000 -0.263 -1.689) 1.709 5.708 ( 0.000 -0.679 3.517) 3.582 5.743 ( 0.000 0.698 -4.516) 4.570 5.795 ( 0.000 1.602 -7.599) 7.766 5.828 ( 0.000 0.339 -2.446) 2.469 5.855 ( 0.000 2.207 -0.891) 2.380 5.861 ( 0.000 -2.649 1.660) 3.126 5.896 ( 0.000 0.737 -1.085) 1.312 5.935 ( 0.000 -0.154 1.698) 1.705 5.983 ( 0.000 4.373 -0.767) 4.440 6.045 ( 0.000 5.595 -2.002) 5.943 6.124 ( 0.000 2.184 -1.440) 2.616 6.134 ( 0.000 6.690 -1.248) 6.805 6.146 ( 0.000 2.165 0.015) 2.165 6.165 ( 0.000 0.441 -0.073) 0.447 6.194 ( 0.000 -1.659 6.187) 6.406 6.199 ( 0.000 0.664 3.169) 3.238 6.272 ( 0.000 0.495 -1.201) 1.299 6.323 ( 0.000 -4.155 5.030) 6.524 6.407 ( 0.000 -1.990 3.389) 3.930 6.465 ( 0.000 3.543 -1.486) 3.842 6.541 ( 0.000 1.992 1.840) 2.711 6.566 ( 0.000 0.910 10.599) 10.638 6.609 ( 0.000 6.521 4.466) 7.903 6.755 ( 0.000 1.666 -2.190) 2.751 6.834 ( 0.000 2.247 -0.588) 2.323 6.845 ( 0.000 -0.929 -4.758) 4.848 6.881 ( 0.000 -4.638 -4.464) 6.438 6.938 ( 0.000 -1.990 -2.645) 3.310 6.974 ( 0.000 -5.340 -4.075) 6.717 7.049 ( 0.000 -6.773 -3.859) 7.795 7.138 ( 0.000 -6.459 0.856) 6.516 7.164 ( 0.000 -2.584 -1.059) 2.793 7.166 ( 0.000 -1.591 -3.331) 3.692 7.253 ( 0.000 -2.062 0.581) 2.142 7.257 ( 0.000 0.840 3.404) 3.506 7.286 ( 0.000 -0.277 -4.425) 4.434 7.331 ( 0.000 -2.317 0.030) 2.317 7.389 ( 0.000 2.423 -2.825) 3.722 7.450 ( 0.000 -3.742 -1.600) 4.070 7.504 ( 0.000 1.113 3.794) 3.954 7.659 ( 0.000 1.576 5.234) 5.466 7.685 ( 0.000 0.843 7.214) 7.263 7.730 ( 0.000 4.231 -0.202) 4.236 7.858 ( 0.000 -1.484 0.537) 1.578 7.892 ( 0.000 -0.775 7.240) 7.282 7.979 ( 0.000 -3.621 1.550) 3.939 8.032 ( 0.000 -0.003 -2.635) 2.635 8.034 ( 0.000 0.008 7.745) 7.745 8.074 ( 0.000 -0.261 -1.683) 1.703 8.132 ( 0.000 -2.772 0.855) 2.901 8.185 ( 0.000 -1.382 1.583) 2.101 8.269 ( 0.000 -4.055 0.663) 4.109 8.284 ( 0.000 0.981 5.079) 5.173 8.353 ( 0.000 -4.121 -2.901) 5.040 8.418 ( 0.000 0.582 -1.666) 1.765 8.467 ( 0.000 -2.428 -3.594) 4.337 8.683 ( 0.000 -8.617 5.208) 10.069 8.742 ( 0.000 3.612 -1.892) 4.077 8.803 ( 0.000 1.063 -5.406) 5.509 8.876 ( 0.000 -0.026 4.993) 4.993 8.999 ( 0.000 -8.375 -1.528) 8.513 9.070 ( 0.000 -14.889 -6.256) 16.150 9.103 ( 0.000 0.617 1.125) 1.283 9.238 ( 0.000 -0.590 2.912) 2.971 9.323 ( 0.000 -4.920 2.446) 5.494 9.335 ( 0.000 -5.498 3.023) 6.274 9.397 ( 0.000 -16.954 -1.737) 17.043 9.474 ( 0.000 -10.279 8.068) 13.068 9.710 ( 0.000 -2.993 0.224) 3.002 9.766 ( 0.000 -4.453 -8.849) 9.906 9.788 ( 0.000 -3.177 6.608) 7.332 9.867 ( 0.000 0.019 -8.266) 8.266 10.576 ( 0.000 6.994 -5.042) 8.622 10.601 ( 0.000 8.564 -1.877) 8.767 10.714 ( 0.000 7.793 -8.769) 11.732 10.889 ( 0.000 0.480 -2.846) 2.886 11.180 ( 0.000 4.938 4.221) 6.496 11.316 ( 0.000 8.481 8.608) 12.084 11.319 ( 0.000 2.387 3.405) 4.158 11.410 ( 0.000 5.895 6.645) 8.883 11.951 ( 0.000 0.592 0.530) 0.794 11.955 ( 0.000 0.402 0.418) 0.580 12.586 ( 0.000 -3.952 -0.561) 3.992 12.615 ( 0.000 -4.422 -0.840) 4.501 14.426 ( 0.000 0.485 0.304) 0.572 14.479 ( 0.000 -0.802 0.143) 0.814 14.697 ( 0.000 -4.447 -0.869) 4.532 14.942 ( 0.000 -10.212 -2.880) 10.611 15.062 ( 0.000 8.531 -1.834) 8.726 15.162 ( 0.000 4.195 -0.747) 4.261 15.211 ( 0.000 10.528 -12.876) 16.632 15.411 ( 0.000 2.900 -13.888) 14.187 15.839 ( 0.000 0.278 2.567) 2.582 15.858 ( 0.000 -2.683 6.782) 7.293 15.865 ( 0.000 -0.206 2.400) 2.409 15.918 ( 0.000 -0.314 -1.399) 1.434 16.218 ( 0.000 3.025 -2.332) 3.820 16.288 ( 0.000 1.115 -2.441) 2.683 16.296 ( 0.000 6.787 -9.519) 11.691 16.325 ( 0.000 2.087 -2.165) 3.007 16.502 ( 0.000 0.289 2.119) 2.139 16.559 ( 0.000 -0.281 3.930) 3.940 16.612 ( 0.000 -0.061 4.661) 4.662 16.963 ( 0.000 -6.221 -1.739) 6.459 17.727 ( 0.000 -1.202 6.300) 6.414 17.812 ( 0.000 -1.786 2.718) 3.253 17.921 ( 0.000 -12.047 11.057) 16.352 18.023 ( 0.000 -6.377 0.974) 6.451 ======================= Grid point 25 (12/32) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -11.101 9.918 13.164) 19.872 0.895 ( 11.101 9.918 13.164) 19.872 0.979 ( -9.539 14.183 14.969) 22.721 0.979 ( 9.539 14.183 14.969) 22.721 1.641 ( -3.765 9.521 9.909) 14.248 1.641 ( 3.765 9.521 9.909) 14.248 1.704 ( -3.113 6.302 8.283) 10.863 1.704 ( 3.113 6.302 8.283) 10.863 1.912 ( -14.841 11.101 12.993) 22.634 1.912 ( 14.841 11.101 12.993) 22.634 2.255 ( -4.049 -6.232 -0.147) 7.433 2.255 ( 4.049 -6.232 -0.147) 7.433 2.402 ( -4.242 5.912 -0.938) 7.337 2.402 ( 4.242 5.912 -0.938) 7.337 2.540 ( -1.514 -4.690 0.849) 5.001 2.540 ( 1.514 -4.690 0.849) 5.001 2.584 ( -2.664 2.218 -2.008) 4.006 2.584 ( 2.664 2.218 -2.008) 4.006 2.679 ( -5.350 -1.207 0.180) 5.488 2.679 ( 5.350 -1.207 0.180) 5.488 2.749 ( -1.723 -1.178 1.304) 2.461 2.749 ( 1.723 -1.178 1.304) 2.461 2.800 ( -2.395 2.298 0.235) 3.327 2.800 ( 2.395 2.298 0.235) 3.327 2.897 ( -2.013 -1.589 0.716) 2.663 2.897 ( 2.013 -1.589 0.716) 2.663 2.924 ( -3.100 -0.520 1.721) 3.584 2.924 ( 3.100 -0.520 1.721) 3.584 3.009 ( -2.002 -3.764 -0.502) 4.292 3.009 ( 2.002 -3.764 -0.502) 4.292 3.093 ( -2.237 0.295 1.235) 2.572 3.093 ( 2.237 0.295 1.235) 2.572 3.148 ( -1.257 -1.264 -3.197) 3.660 3.148 ( 1.257 -1.264 -3.197) 3.660 3.187 ( -1.954 0.744 -0.222) 2.103 3.187 ( 1.954 0.744 -0.222) 2.103 3.254 ( -2.212 -0.164 -0.342) 2.244 3.254 ( 2.212 -0.164 -0.342) 2.244 3.281 ( -5.213 -4.639 -0.998) 7.049 3.281 ( 5.213 -4.639 -0.998) 7.049 3.348 ( -1.808 3.684 -3.022) 5.096 3.348 ( 1.808 3.684 -3.022) 5.096 3.438 ( -1.558 2.689 -0.301) 3.122 3.438 ( 1.558 2.689 -0.301) 3.122 3.523 ( -3.653 1.996 -1.547) 4.441 3.523 ( 3.653 1.996 -1.547) 4.441 3.594 ( -1.454 -2.317 -2.345) 3.603 3.594 ( 1.454 -2.317 -2.345) 3.603 3.677 ( -1.685 2.529 -1.340) 3.322 3.677 ( 1.685 2.529 -1.340) 3.322 3.711 ( -0.324 -0.362 0.770) 0.911 3.711 ( 0.324 -0.362 0.770) 0.911 3.755 ( -0.865 -2.167 1.410) 2.726 3.755 ( 0.865 -2.167 1.410) 2.726 3.820 ( -2.436 -1.151 -2.844) 3.918 3.820 ( 2.436 -1.151 -2.844) 3.918 3.878 ( -3.024 -0.279 1.041) 3.210 3.878 ( 3.024 -0.279 1.041) 3.210 3.946 ( -2.443 0.281 1.102) 2.695 3.946 ( 2.443 0.281 1.102) 2.695 4.014 ( -2.570 -0.228 1.860) 3.181 4.014 ( 2.570 -0.228 1.860) 3.181 4.065 ( -1.525 -0.195 1.716) 2.303 4.065 ( 1.525 -0.195 1.716) 2.303 4.136 ( -0.584 0.714 2.074) 2.270 4.136 ( 0.584 0.714 2.074) 2.270 4.170 ( -1.678 -1.222 -1.025) 2.315 4.170 ( 1.678 -1.222 -1.025) 2.315 4.260 ( -2.241 0.212 2.303) 3.221 4.260 ( 2.241 0.212 2.303) 3.221 4.346 ( -2.243 4.484 0.796) 5.076 4.346 ( 2.243 4.484 0.796) 5.076 4.370 ( -1.247 -2.800 -3.769) 4.858 4.370 ( 1.247 -2.800 -3.769) 4.858 4.452 ( -1.104 2.136 -0.408) 2.439 4.452 ( 1.104 2.136 -0.408) 2.439 4.499 ( -0.670 4.648 0.074) 4.697 4.499 ( 0.670 4.648 0.074) 4.697 4.560 ( -3.400 4.551 -0.048) 5.681 4.560 ( 3.400 4.551 -0.048) 5.681 4.628 ( -2.894 -2.035 0.907) 3.653 4.628 ( 2.894 -2.035 0.907) 3.653 4.683 ( -1.474 -1.035 4.758) 5.088 4.683 ( 1.474 -1.035 4.758) 5.088 4.818 ( -3.360 6.846 -2.320) 7.971 4.818 ( 3.360 6.846 -2.320) 7.971 4.931 ( -0.570 2.797 0.877) 2.986 4.931 ( 0.570 2.797 0.877) 2.986 5.030 ( -2.084 5.611 -3.996) 7.197 5.030 ( 2.084 5.611 -3.996) 7.197 5.126 ( -3.715 -0.839 -5.269) 6.501 5.126 ( 3.715 -0.839 -5.269) 6.501 5.201 ( -2.406 1.669 -4.695) 5.533 5.201 ( 2.406 1.669 -4.695) 5.533 5.321 ( -2.244 0.208 -2.538) 3.395 5.321 ( 2.244 0.208 -2.538) 3.395 5.400 ( -0.300 -1.884 -3.135) 3.670 5.400 ( 0.300 -1.884 -3.135) 3.670 5.448 ( -0.825 1.671 -1.132) 2.180 5.448 ( 0.825 1.671 -1.132) 2.180 5.472 ( -3.176 -0.123 -2.437) 4.005 5.472 ( 3.176 -0.123 -2.437) 4.005 5.524 ( -2.640 1.596 0.061) 3.086 5.524 ( 2.640 1.596 0.061) 3.086 5.633 ( -1.628 -1.680 -2.049) 3.110 5.633 ( 1.628 -1.680 -2.049) 3.110 5.671 ( -1.593 0.318 1.369) 2.124 5.671 ( 1.593 0.318 1.369) 2.124 5.703 ( -1.618 1.683 -1.072) 2.569 5.703 ( 1.618 1.683 -1.072) 2.569 5.804 ( -1.587 0.800 -4.600) 4.932 5.804 ( 1.587 0.800 -4.600) 4.932 5.854 ( -1.024 1.193 -2.021) 2.560 5.854 ( 1.024 1.193 -2.021) 2.560 5.990 ( -4.490 1.398 3.130) 5.649 5.990 ( 4.490 1.398 3.130) 5.649 6.049 ( -5.316 -1.550 2.158) 5.943 6.049 ( 5.316 -1.550 2.158) 5.943 6.070 ( -4.664 3.003 -0.554) 5.575 6.070 ( 4.664 3.003 -0.554) 5.575 6.139 ( -0.837 0.829 -0.084) 1.181 6.139 ( 0.837 0.829 -0.084) 1.181 6.181 ( -1.755 3.158 0.149) 3.616 6.181 ( 1.755 3.158 0.149) 3.616 6.304 ( -3.492 3.554 -1.002) 5.082 6.304 ( 3.492 3.554 -1.002) 5.082 6.444 ( -4.895 -4.286 8.567) 10.758 6.444 ( 4.895 -4.286 8.567) 10.758 6.542 ( -0.302 2.648 1.999) 3.331 6.542 ( 0.302 2.648 1.999) 3.331 6.692 ( -5.059 5.165 0.351) 7.238 6.692 ( 5.059 5.165 0.351) 7.238 6.823 ( -2.078 -0.064 -6.590) 6.910 6.823 ( 2.078 -0.064 -6.590) 6.910 6.920 ( -2.665 -2.722 -0.445) 3.835 6.920 ( 2.665 -2.722 -0.445) 3.835 7.008 ( -2.260 -6.984 -3.416) 8.096 7.008 ( 2.260 -6.984 -3.416) 8.096 7.171 ( -0.564 -6.722 -0.336) 6.754 7.171 ( 0.564 -6.722 -0.336) 6.754 7.215 ( -2.614 -1.438 0.259) 2.995 7.215 ( 2.614 -1.438 0.259) 2.995 7.263 ( -3.128 -2.355 -0.690) 3.976 7.263 ( 3.128 -2.355 -0.690) 3.976 7.393 ( -1.369 -1.044 -2.675) 3.181 7.393 ( 1.369 -1.044 -2.675) 3.181 7.505 ( -3.932 3.277 1.931) 5.471 7.505 ( 3.932 3.277 1.931) 5.471 7.622 ( -5.806 6.410 0.977) 8.704 7.622 ( 5.806 6.410 0.977) 8.704 7.784 ( -3.308 0.656 4.849) 5.906 7.784 ( 3.308 0.656 4.849) 5.906 7.912 ( -2.704 -1.305 6.408) 7.077 7.912 ( 2.704 -1.305 6.408) 7.077 7.989 ( -1.998 -1.878 1.908) 3.340 7.989 ( 1.998 -1.878 1.908) 3.340 8.146 ( -0.505 -2.578 1.482) 3.016 8.146 ( 0.505 -2.578 1.482) 3.016 8.244 ( -6.581 -2.733 -1.176) 7.222 8.244 ( 6.581 -2.733 -1.176) 7.222 8.311 ( -3.401 -1.639 1.522) 4.070 8.311 ( 3.401 -1.639 1.522) 4.070 8.400 ( -3.323 -0.497 2.760) 4.348 8.400 ( 3.323 -0.497 2.760) 4.348 8.676 ( -3.437 3.832 -1.336) 5.318 8.676 ( 3.437 3.832 -1.336) 5.318 8.876 ( -4.357 -6.117 0.184) 7.512 8.876 ( 4.357 -6.117 0.184) 7.512 9.051 ( -3.124 -6.118 -5.220) 8.628 9.051 ( 3.124 -6.118 -5.220) 8.628 9.180 ( -3.778 -6.047 2.923) 7.706 9.180 ( 3.778 -6.047 2.923) 7.706 9.277 ( -2.177 -7.484 3.395) 8.502 9.277 ( 2.177 -7.484 3.395) 8.502 9.478 ( -2.699 -7.199 -1.375) 7.810 9.478 ( 2.699 -7.199 -1.375) 7.810 9.717 ( -2.370 0.269 1.304) 2.718 9.717 ( 2.370 0.269 1.304) 2.718 9.855 ( -3.217 -7.934 -4.022) 9.459 9.855 ( 3.217 -7.934 -4.022) 9.459 10.580 ( -0.528 8.360 -4.929) 9.719 10.580 ( 0.528 8.360 -4.929) 9.719 10.804 ( -5.200 4.256 -4.357) 8.009 10.804 ( 5.200 4.256 -4.357) 8.009 11.229 ( -3.467 5.068 4.824) 7.809 11.229 ( 3.467 5.068 4.824) 7.809 11.384 ( -2.033 5.883 6.588) 9.063 11.384 ( 2.033 5.883 6.588) 9.063 11.962 ( -0.478 0.159 0.029) 0.504 11.962 ( 0.478 0.159 0.029) 0.504 12.599 ( -1.001 -4.243 -0.647) 4.407 12.599 ( 1.001 -4.243 -0.647) 4.407 14.447 ( -1.949 -0.097 0.368) 1.986 14.447 ( 1.949 -0.097 0.368) 1.986 14.842 ( -7.151 -8.765 -2.448) 11.574 14.842 ( 7.151 -8.765 -2.448) 11.574 15.106 ( -2.502 6.170 -2.360) 7.064 15.106 ( 2.502 6.170 -2.360) 7.064 15.321 ( -5.958 6.064 -12.753) 15.327 15.321 ( 5.958 6.064 -12.753) 15.327 15.845 ( -0.597 -0.904 5.181) 5.293 15.845 ( 0.597 -0.904 5.181) 5.293 15.897 ( -1.539 -0.745 -0.065) 1.711 15.897 ( 1.539 -0.745 -0.065) 1.711 16.247 ( -2.239 4.568 -4.588) 6.850 16.247 ( 2.239 4.568 -4.588) 6.850 16.311 ( -0.953 2.123 -2.756) 3.607 16.311 ( 0.953 2.123 -2.756) 3.607 16.508 ( -0.891 0.228 2.549) 2.710 16.508 ( 0.891 0.228 2.549) 2.710 16.786 ( -9.903 -2.470 4.064) 10.986 16.786 ( 9.903 -2.470 4.064) 10.986 17.751 ( -2.039 -1.564 6.630) 7.110 17.751 ( 2.039 -1.564 6.630) 7.110 17.995 ( -2.531 -8.222 2.560) 8.975 17.995 ( 2.531 -8.222 2.560) 8.975 ======================= Grid point 27 (13/32) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 17.956 5.958) 18.919 1.228 ( 0.000 21.769 7.420) 22.999 1.376 ( 0.000 9.478 8.508) 12.737 1.457 ( 0.000 3.668 5.088) 6.273 1.510 ( 0.000 10.609 10.512) 14.935 1.518 ( 0.000 7.114 6.834) 9.865 1.905 ( 0.000 3.264 2.081) 3.871 1.913 ( 0.000 -6.603 2.011) 6.902 1.986 ( 0.000 -9.318 3.378) 9.911 2.045 ( 0.000 -0.627 1.783) 1.890 2.196 ( 0.000 -16.252 3.126) 16.550 2.257 ( 0.000 -12.098 1.373) 12.176 2.290 ( 0.000 28.476 12.976) 31.293 2.494 ( 0.000 -0.693 0.108) 0.701 2.513 ( 0.000 -6.585 -1.694) 6.799 2.566 ( 0.000 -1.714 -2.383) 2.935 2.573 ( 0.000 0.478 -3.469) 3.502 2.625 ( 0.000 -1.471 0.926) 1.738 2.625 ( 0.000 2.008 -1.638) 2.592 2.681 ( 0.000 -5.626 -0.910) 5.699 2.728 ( 0.000 3.691 5.619) 6.723 2.777 ( 0.000 -3.230 0.837) 3.337 2.825 ( 0.000 2.222 8.913) 9.186 2.828 ( 0.000 1.082 -2.026) 2.297 2.849 ( 0.000 -2.234 1.526) 2.705 2.885 ( 0.000 5.974 2.597) 6.514 2.950 ( 0.000 -4.235 -1.273) 4.422 2.959 ( 0.000 -0.733 -1.448) 1.623 2.990 ( 0.000 4.596 -2.359) 5.166 3.025 ( 0.000 -0.417 -1.155) 1.228 3.079 ( 0.000 4.592 3.296) 5.653 3.087 ( 0.000 2.780 -0.608) 2.846 3.109 ( 0.000 7.848 -1.810) 8.054 3.137 ( 0.000 2.982 1.242) 3.231 3.156 ( 0.000 -3.453 -0.544) 3.496 3.198 ( 0.000 2.413 -3.630) 4.359 3.245 ( 0.000 2.654 1.388) 2.995 3.266 ( 0.000 4.169 -0.912) 4.267 3.310 ( 0.000 2.308 -6.005) 6.433 3.329 ( 0.000 -1.511 0.652) 1.645 3.386 ( 0.000 -0.240 -4.699) 4.705 3.436 ( 0.000 3.396 -2.055) 3.969 3.447 ( 0.000 -1.668 -6.394) 6.607 3.477 ( 0.000 5.261 -5.348) 7.501 3.519 ( 0.000 -5.163 0.446) 5.182 3.526 ( 0.000 3.288 -2.440) 4.094 3.573 ( 0.000 -0.116 3.397) 3.399 3.602 ( 0.000 -1.125 -4.258) 4.404 3.645 ( 0.000 -0.898 -1.356) 1.627 3.667 ( 0.000 -3.316 0.395) 3.339 3.715 ( 0.000 3.872 1.086) 4.021 3.719 ( 0.000 0.822 0.241) 0.856 3.746 ( 0.000 2.946 1.644) 3.373 3.763 ( 0.000 1.448 -0.875) 1.692 3.804 ( 0.000 -0.616 2.204) 2.289 3.847 ( 0.000 1.569 1.804) 2.390 3.899 ( 0.000 -1.557 0.101) 1.560 3.900 ( 0.000 0.701 0.028) 0.702 3.932 ( 0.000 -3.007 1.114) 3.207 3.947 ( 0.000 -3.633 1.629) 3.981 3.954 ( 0.000 -0.017 2.915) 2.915 4.020 ( 0.000 0.406 -0.929) 1.014 4.027 ( 0.000 -0.228 4.121) 4.127 4.057 ( 0.000 4.012 2.297) 4.623 4.113 ( 0.000 -2.555 4.926) 5.549 4.146 ( 0.000 -2.623 2.418) 3.567 4.198 ( 0.000 2.052 2.619) 3.327 4.235 ( 0.000 -0.667 2.871) 2.947 4.244 ( 0.000 -1.878 -2.434) 3.074 4.281 ( 0.000 1.588 0.939) 1.845 4.306 ( 0.000 -0.204 1.423) 1.438 4.335 ( 0.000 -3.987 1.264) 4.182 4.387 ( 0.000 -1.428 0.918) 1.698 4.404 ( 0.000 1.274 -0.418) 1.341 4.430 ( 0.000 2.670 0.919) 2.824 4.457 ( 0.000 2.784 0.976) 2.950 4.510 ( 0.000 1.503 2.003) 2.504 4.567 ( 0.000 1.478 0.914) 1.738 4.585 ( 0.000 -3.938 3.447) 5.233 4.613 ( 0.000 -2.350 2.779) 3.639 4.660 ( 0.000 6.273 1.107) 6.370 4.696 ( 0.000 2.518 2.892) 3.835 4.809 ( 0.000 13.276 -1.504) 13.361 4.904 ( 0.000 12.200 -2.385) 12.431 4.921 ( 0.000 -2.337 0.841) 2.484 4.932 ( 0.000 -1.660 -1.801) 2.449 4.998 ( 0.000 11.060 1.229) 11.128 5.010 ( 0.000 -1.541 -1.872) 2.425 5.048 ( 0.000 11.247 0.719) 11.270 5.088 ( 0.000 4.038 -2.089) 4.546 5.134 ( 0.000 3.000 -1.124) 3.204 5.201 ( 0.000 3.240 -1.028) 3.399 5.272 ( 0.000 2.557 -3.958) 4.712 5.281 ( 0.000 -2.243 -6.520) 6.895 5.343 ( 0.000 1.525 -4.230) 4.496 5.346 ( 0.000 3.521 -3.776) 5.163 5.381 ( 0.000 0.785 -3.816) 3.896 5.389 ( 0.000 -0.998 -3.587) 3.723 5.414 ( 0.000 1.798 0.595) 1.894 5.459 ( 0.000 1.408 -1.663) 2.179 5.509 ( 0.000 -1.265 -0.355) 1.314 5.520 ( 0.000 0.016 -2.565) 2.565 5.531 ( 0.000 2.510 -2.185) 3.328 5.561 ( 0.000 3.486 1.609) 3.840 5.566 ( 0.000 -0.205 -1.528) 1.541 5.639 ( 0.000 -0.287 -0.622) 0.685 5.704 ( 0.000 -0.979 -1.094) 1.468 5.733 ( 0.000 2.563 1.291) 2.870 5.740 ( 0.000 -2.362 -2.127) 3.179 5.760 ( 0.000 0.763 -4.317) 4.384 5.794 ( 0.000 -2.066 -1.197) 2.388 5.823 ( 0.000 -0.513 0.548) 0.751 5.841 ( 0.000 3.815 -0.464) 3.843 5.878 ( 0.000 -0.687 -3.027) 3.104 5.904 ( 0.000 0.059 -3.037) 3.038 5.972 ( 0.000 3.393 3.450) 4.839 5.993 ( 0.000 -1.119 2.358) 2.610 6.102 ( 0.000 -3.949 2.347) 4.594 6.122 ( 0.000 -0.241 3.121) 3.130 6.134 ( 0.000 -3.575 5.087) 6.218 6.173 ( 0.000 1.964 0.936) 2.176 6.184 ( 0.000 2.039 0.390) 2.076 6.237 ( 0.000 -1.952 5.640) 5.968 6.244 ( 0.000 2.210 4.110) 4.667 6.258 ( 0.000 1.997 2.043) 2.857 6.269 ( 0.000 -2.009 0.916) 2.208 6.347 ( 0.000 -2.668 1.582) 3.102 6.401 ( 0.000 -5.527 3.597) 6.595 6.586 ( 0.000 -1.058 -0.942) 1.417 6.630 ( 0.000 5.753 -3.883) 6.941 6.688 ( 0.000 -9.338 1.249) 9.421 6.700 ( 0.000 -3.036 -1.417) 3.350 6.776 ( 0.000 -1.438 -3.071) 3.391 6.811 ( 0.000 -3.260 -3.571) 4.835 6.832 ( 0.000 -7.123 -3.761) 8.054 6.848 ( 0.000 -3.500 -10.440) 11.011 6.879 ( 0.000 2.844 -1.518) 3.224 6.903 ( 0.000 -0.401 -3.052) 3.078 7.012 ( 0.000 -5.190 -0.358) 5.202 7.140 ( 0.000 -6.299 -0.687) 6.336 7.177 ( 0.000 3.334 -2.179) 3.983 7.205 ( 0.000 2.318 -1.315) 2.665 7.315 ( 0.000 3.059 -3.296) 4.497 7.317 ( 0.000 3.611 0.121) 3.613 7.359 ( 0.000 5.313 -5.227) 7.452 7.423 ( 0.000 0.726 0.805) 1.084 7.468 ( 0.000 2.933 -4.365) 5.258 7.548 ( 0.000 3.486 4.635) 5.800 7.697 ( 0.000 1.233 7.364) 7.467 7.704 ( 0.000 0.639 6.082) 6.115 7.751 ( 0.000 -3.771 2.187) 4.360 7.795 ( 0.000 -4.332 1.346) 4.536 7.856 ( 0.000 -2.959 6.571) 7.206 7.857 ( 0.000 -7.353 2.462) 7.754 7.969 ( 0.000 -1.428 -2.057) 2.505 8.015 ( 0.000 -1.275 6.933) 7.049 8.071 ( 0.000 1.034 -3.036) 3.208 8.143 ( 0.000 0.947 -1.481) 1.758 8.201 ( 0.000 2.676 -0.994) 2.854 8.230 ( 0.000 -2.302 -1.896) 2.982 8.287 ( 0.000 -0.396 5.322) 5.336 8.299 ( 0.000 2.233 2.047) 3.029 8.358 ( 0.000 -1.665 -1.864) 2.499 8.423 ( 0.000 -0.539 -0.068) 0.543 8.650 ( 0.000 -1.733 -1.106) 2.055 8.704 ( 0.000 -8.152 0.192) 8.154 8.756 ( 0.000 -6.664 0.089) 6.664 8.800 ( 0.000 0.266 1.864) 1.882 8.903 ( 0.000 -1.356 -7.833) 7.949 8.913 ( 0.000 -0.077 1.195) 1.198 9.023 ( 0.000 -13.244 -1.111) 13.291 9.083 ( 0.000 -13.056 12.295) 17.934 9.188 ( 0.000 2.225 2.962) 3.704 9.220 ( 0.000 -1.556 0.818) 1.758 9.278 ( 0.000 -0.566 7.907) 7.927 9.322 ( 0.000 -2.848 -0.769) 2.950 9.578 ( 0.000 -9.432 -5.160) 10.752 9.591 ( 0.000 -7.789 4.637) 9.065 9.675 ( 0.000 -4.067 0.936) 4.174 9.767 ( 0.000 -6.967 -2.997) 7.585 10.758 ( 0.000 8.670 -8.131) 11.886 10.790 ( 0.000 7.570 -8.188) 11.151 10.857 ( 0.000 4.513 -10.866) 11.766 10.935 ( 0.000 1.241 -8.131) 8.225 11.313 ( 0.000 7.011 5.563) 8.950 11.391 ( 0.000 4.112 5.621) 6.964 11.483 ( 0.000 4.283 8.354) 9.388 11.516 ( 0.000 1.426 7.381) 7.517 12.025 ( 0.000 7.426 -0.394) 7.436 12.036 ( 0.000 8.164 -0.648) 8.189 12.457 ( 0.000 -8.100 -0.641) 8.126 12.479 ( 0.000 -8.295 -0.763) 8.330 14.448 ( 0.000 1.715 0.263) 1.735 14.494 ( 0.000 2.264 0.134) 2.268 14.595 ( 0.000 -4.627 -0.122) 4.628 14.733 ( 0.000 -8.598 -1.276) 8.692 15.230 ( 0.000 6.562 -4.024) 7.697 15.258 ( 0.000 4.251 -2.906) 5.149 15.332 ( 0.000 1.962 -10.120) 10.309 15.414 ( 0.000 -2.022 -8.583) 8.818 15.827 ( 0.000 0.188 4.671) 4.675 15.859 ( 0.000 -0.325 1.996) 2.023 15.862 ( 0.000 1.136 4.002) 4.160 15.906 ( 0.000 -0.848 0.638) 1.061 16.277 ( 0.000 2.275 -3.555) 4.221 16.310 ( 0.000 0.779 -3.995) 4.070 16.369 ( 0.000 1.329 -3.839) 4.063 16.374 ( 0.000 1.191 -8.182) 8.268 16.528 ( 0.000 2.712 3.457) 4.394 16.555 ( 0.000 0.115 4.424) 4.425 16.600 ( 0.000 -1.185 3.438) 3.637 16.797 ( 0.000 -8.491 1.702) 8.660 17.710 ( 0.000 -0.076 4.241) 4.241 17.766 ( 0.000 -2.257 2.562) 3.414 17.769 ( 0.000 -2.875 6.712) 7.301 17.875 ( 0.000 -6.536 1.801) 6.780 ======================= Grid point 28 (14/32) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -4.662 16.394 6.932) 18.399 1.197 ( 4.662 16.394 6.932) 18.399 1.348 ( -4.699 16.979 9.313) 19.927 1.348 ( 4.699 16.979 9.313) 19.927 1.677 ( -4.033 -0.843 3.100) 5.156 1.677 ( 4.033 -0.843 3.100) 5.156 1.734 ( -3.000 1.490 5.287) 6.258 1.734 ( 3.000 1.490 5.287) 6.258 2.076 ( -2.995 -7.949 2.375) 8.820 2.076 ( 2.995 -7.949 2.375) 8.820 2.252 ( -2.129 -11.716 2.933) 12.264 2.252 ( 2.129 -11.716 2.933) 12.264 2.425 ( -6.373 13.807 4.990) 16.004 2.425 ( 6.373 13.807 4.990) 16.004 2.495 ( -4.190 1.038 1.574) 4.595 2.495 ( 4.190 1.038 1.574) 4.595 2.604 ( -2.359 -3.134 -1.349) 4.149 2.604 ( 2.359 -3.134 -1.349) 4.149 2.694 ( -3.521 -0.537 -0.626) 3.616 2.694 ( 3.521 -0.537 -0.626) 3.616 2.732 ( -5.208 2.849 2.113) 6.302 2.732 ( 5.208 2.849 2.113) 6.302 2.805 ( -1.485 -1.526 -0.174) 2.137 2.805 ( 1.485 -1.526 -0.174) 2.137 2.855 ( -2.484 0.219 0.172) 2.500 2.855 ( 2.484 0.219 0.172) 2.500 2.920 ( -4.700 0.785 1.479) 4.989 2.920 ( 4.700 0.785 1.479) 4.989 3.002 ( -1.811 1.987 -0.719) 2.783 3.002 ( 1.811 1.987 -0.719) 2.783 3.081 ( -4.017 -0.394 0.388) 4.055 3.081 ( 4.017 -0.394 0.388) 4.055 3.130 ( -2.187 0.796 -0.516) 2.384 3.130 ( 2.187 0.796 -0.516) 2.384 3.221 ( -2.510 2.004 0.340) 3.230 3.221 ( 2.510 2.004 0.340) 3.230 3.251 ( -2.082 1.591 -3.034) 4.009 3.251 ( 2.082 1.591 -3.034) 4.009 3.302 ( -5.253 2.471 -3.329) 6.692 3.302 ( 5.253 2.471 -3.329) 6.692 3.413 ( -2.088 1.516 -4.056) 4.807 3.413 ( 2.088 1.516 -4.056) 4.807 3.492 ( -1.420 0.125 -1.442) 2.028 3.492 ( 1.420 0.125 -1.442) 2.028 3.539 ( -3.611 0.180 -3.636) 5.128 3.539 ( 3.611 0.180 -3.636) 5.128 3.566 ( -2.520 0.232 -1.335) 2.861 3.566 ( 2.520 0.232 -1.335) 2.861 3.666 ( -1.411 0.059 -0.072) 1.415 3.666 ( 1.411 0.059 -0.072) 1.415 3.712 ( -1.368 -0.786 2.166) 2.680 3.712 ( 1.368 -0.786 2.166) 2.680 3.770 ( -0.766 2.008 1.046) 2.390 3.770 ( 0.766 2.008 1.046) 2.390 3.809 ( -0.119 1.201 -0.933) 1.525 3.809 ( 0.119 1.201 -0.933) 1.525 3.886 ( -0.378 -3.548 0.178) 3.573 3.886 ( 0.378 -3.548 0.178) 3.573 3.935 ( -2.009 1.208 1.673) 2.880 3.935 ( 2.009 1.208 1.673) 2.880 4.000 ( -2.496 -0.709 4.264) 4.992 4.000 ( 2.496 -0.709 4.264) 4.992 4.052 ( -1.341 1.999 1.847) 3.035 4.052 ( 1.341 1.999 1.847) 3.035 4.128 ( -1.557 -2.033 3.930) 4.691 4.128 ( 1.557 -2.033 3.930) 4.691 4.206 ( -1.037 2.055 0.065) 2.302 4.206 ( 1.037 2.055 0.065) 2.302 4.270 ( -1.666 0.057 1.386) 2.168 4.270 ( 1.666 0.057 1.386) 2.168 4.297 ( -2.675 -1.803 -0.828) 3.331 4.297 ( 2.675 -1.803 -0.828) 3.331 4.412 ( -2.018 -0.465 2.359) 3.139 4.412 ( 2.018 -0.465 2.359) 3.139 4.475 ( -1.680 3.293 1.962) 4.185 4.475 ( 1.680 3.293 1.962) 4.185 4.510 ( -3.769 -2.916 2.154) 5.230 4.510 ( 3.769 -2.916 2.154) 5.230 4.597 ( -1.688 -0.668 1.263) 2.212 4.597 ( 1.688 -0.668 1.263) 2.212 4.678 ( -0.823 5.560 0.737) 5.668 4.678 ( 0.823 5.560 0.737) 5.668 4.867 ( -3.637 12.194 -0.948) 12.760 4.867 ( 3.637 12.194 -0.948) 12.760 4.907 ( -1.173 -0.826 2.309) 2.718 4.907 ( 1.173 -0.826 2.309) 2.718 5.029 ( -2.406 7.856 -2.484) 8.583 5.029 ( 2.406 7.856 -2.484) 8.583 5.093 ( -4.080 0.334 -3.047) 5.104 5.093 ( 4.080 0.334 -3.047) 5.104 5.168 ( -2.589 4.186 -0.339) 4.933 5.168 ( 2.589 4.186 -0.339) 4.933 5.246 ( -1.327 4.269 -2.950) 5.356 5.246 ( 1.327 4.269 -2.950) 5.356 5.312 ( -2.268 -1.785 -4.695) 5.511 5.312 ( 2.268 -1.785 -4.695) 5.511 5.403 ( -1.417 1.639 -2.844) 3.575 5.403 ( 1.417 1.639 -2.844) 3.575 5.463 ( -2.733 0.007 -2.070) 3.429 5.463 ( 2.733 0.007 -2.070) 3.429 5.484 ( -3.683 1.462 -2.667) 4.777 5.484 ( 3.683 1.462 -2.667) 4.777 5.569 ( -1.465 1.541 -0.266) 2.143 5.569 ( 1.465 1.541 -0.266) 2.143 5.619 ( -3.780 0.485 -2.336) 4.470 5.619 ( 3.780 0.485 -2.336) 4.470 5.675 ( -3.095 -0.120 0.962) 3.244 5.675 ( 3.095 -0.120 0.962) 3.244 5.746 ( -0.840 0.858 -1.322) 1.786 5.746 ( 0.840 0.858 -1.322) 1.786 5.804 ( -0.402 -0.323 -1.498) 1.584 5.804 ( 0.402 -0.323 -1.498) 1.584 5.862 ( -0.918 -0.319 -2.466) 2.651 5.862 ( 0.918 -0.319 -2.466) 2.651 5.966 ( -3.566 -3.550 1.819) 5.351 5.966 ( 3.566 -3.550 1.819) 5.351 6.047 ( -1.752 2.043 3.631) 4.520 6.047 ( 1.752 2.043 3.631) 4.520 6.091 ( -1.613 0.015 0.379) 1.657 6.091 ( 1.613 0.015 0.379) 1.657 6.172 ( -0.836 1.366 2.819) 3.242 6.172 ( 0.836 1.366 2.819) 3.242 6.255 ( -0.544 0.770 3.205) 3.341 6.255 ( 0.544 0.770 3.205) 3.341 6.314 ( -1.050 -0.999 3.669) 3.945 6.314 ( 1.050 -0.999 3.669) 3.945 6.344 ( -2.719 -4.292 3.728) 6.302 6.344 ( 2.719 -4.292 3.728) 6.302 6.610 ( -1.474 1.997 -2.705) 3.671 6.610 ( 1.474 1.997 -2.705) 3.671 6.699 ( -0.671 -6.952 -0.739) 7.024 6.699 ( 0.671 -6.952 -0.739) 7.024 6.789 ( -1.185 0.859 -7.621) 7.760 6.789 ( 1.185 0.859 -7.621) 7.760 6.844 ( -1.081 -6.964 -2.831) 7.595 6.844 ( 1.081 -6.964 -2.831) 7.595 6.894 ( -1.267 0.940 -2.084) 2.614 6.894 ( 1.267 0.940 -2.084) 2.614 7.057 ( -3.807 -5.299 -2.260) 6.905 7.057 ( 3.807 -5.299 -2.260) 6.905 7.203 ( -2.062 2.201 -0.726) 3.102 7.203 ( 2.062 2.201 -0.726) 3.102 7.259 ( -3.635 2.687 -1.187) 4.673 7.259 ( 3.635 2.687 -1.187) 4.673 7.417 ( -1.580 2.478 -2.792) 4.054 7.417 ( 1.580 2.478 -2.792) 4.054 7.553 ( -1.801 1.721 3.498) 4.294 7.553 ( 1.801 1.721 3.498) 4.294 7.734 ( -7.221 0.730 -0.071) 7.258 7.734 ( 7.221 0.730 -0.071) 7.258 7.776 ( -0.688 -1.067 3.287) 3.524 7.776 ( 0.688 -1.067 3.287) 3.524 7.853 ( -3.873 -2.869 3.465) 5.936 7.853 ( 3.873 -2.869 3.465) 5.936 7.946 ( -7.202 -1.593 3.085) 7.995 7.946 ( 7.202 -1.593 3.085) 7.995 8.133 ( -3.136 -0.480 -0.906) 3.299 8.133 ( 3.136 -0.480 -0.906) 3.299 8.174 ( -1.446 -1.537 -0.201) 2.120 8.174 ( 1.446 -1.537 -0.201) 2.120 8.297 ( -3.319 0.205 1.404) 3.609 8.297 ( 3.319 0.205 1.404) 3.609 8.389 ( -3.382 1.132 2.262) 4.223 8.389 ( 3.382 1.132 2.262) 4.223 8.673 ( -1.577 -5.336 -0.149) 5.566 8.673 ( 1.577 -5.336 -0.149) 5.566 8.797 ( -3.112 0.828 1.436) 3.526 8.797 ( 3.112 0.828 1.436) 3.526 8.870 ( -3.777 -8.388 -2.917) 9.650 8.870 ( 3.777 -8.388 -2.917) 9.650 9.083 ( -3.020 -5.225 1.517) 6.223 9.083 ( 3.020 -5.225 1.517) 6.223 9.225 ( -2.346 0.599 4.107) 4.768 9.225 ( 2.346 0.599 4.107) 4.768 9.288 ( -4.576 -7.592 3.197) 9.423 9.288 ( 4.576 -7.592 3.197) 9.423 9.600 ( -1.237 -5.271 0.516) 5.438 9.600 ( 1.237 -5.271 0.516) 5.438 9.699 ( -4.096 -7.414 -1.633) 8.626 9.699 ( 4.096 -7.414 -1.633) 8.626 10.771 ( -0.928 8.244 -8.514) 11.887 10.771 ( 0.928 8.244 -8.514) 11.887 10.899 ( -2.399 2.827 -9.059) 9.789 10.899 ( 2.399 2.827 -9.059) 9.789 11.348 ( -2.433 5.863 5.692) 8.526 11.348 ( 2.433 5.863 5.692) 8.526 11.504 ( -0.993 2.517 7.711) 8.172 11.504 ( 0.993 2.517 7.711) 8.172 12.033 ( -0.356 7.612 -0.630) 7.646 12.033 ( 0.356 7.612 -0.630) 7.646 12.467 ( -0.716 -8.154 -0.677) 8.213 12.467 ( 0.716 -8.154 -0.677) 8.213 14.469 ( -1.586 2.226 0.347) 2.755 14.469 ( 1.586 2.226 0.347) 2.755 14.669 ( -4.420 -7.055 -0.922) 8.376 14.669 ( 4.420 -7.055 -0.922) 8.376 15.240 ( -0.790 5.553 -3.815) 6.783 15.240 ( 0.790 5.553 -3.815) 6.783 15.377 ( -2.528 -0.226 -9.045) 9.395 15.377 ( 2.528 -0.226 -9.045) 9.395 15.842 ( -0.921 0.683 4.844) 4.978 15.842 ( 0.921 0.683 4.844) 4.978 15.885 ( -1.287 -0.654 0.852) 1.676 15.885 ( 1.287 -0.654 0.852) 1.676 16.310 ( -1.480 2.007 -4.495) 5.140 16.310 ( 1.480 2.007 -4.495) 5.140 16.354 ( -0.369 0.903 -5.316) 5.404 16.354 ( 0.369 0.903 -5.316) 5.404 16.529 ( -0.346 2.023 3.656) 4.193 16.529 ( 0.346 2.023 3.656) 4.193 16.703 ( -5.795 -4.885 3.462) 8.332 16.703 ( 5.795 -4.885 3.462) 8.332 17.726 ( -1.217 -0.303 4.626) 4.793 17.726 ( 1.217 -0.303 4.626) 4.793 17.838 ( -2.769 -5.846 2.668) 6.997 17.838 ( 2.769 -5.846 2.668) 6.997 ======================= Grid point 30 (15/32) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 -6.310 2.170) 6.673 1.398 ( 0.000 6.310 2.170) 6.673 1.565 ( 0.000 -0.884 7.597) 7.648 1.565 ( 0.000 0.884 7.597) 7.648 1.709 ( 0.000 -7.469 4.108) 8.524 1.709 ( 0.000 7.469 4.108) 8.524 1.785 ( 0.000 -14.835 5.330) 15.763 1.785 ( 0.000 14.835 5.330) 15.763 1.941 ( 0.000 -10.588 3.752) 11.233 1.941 ( 0.000 10.588 3.752) 11.233 2.060 ( 0.000 -3.581 4.796) 5.986 2.060 ( 0.000 3.581 4.796) 5.986 2.372 ( 0.000 -1.364 -3.622) 3.871 2.372 ( 0.000 1.364 -3.622) 3.871 2.560 ( 0.000 -2.879 -3.326) 4.399 2.560 ( 0.000 2.879 -3.326) 4.399 2.621 ( 0.000 -1.963 -0.781) 2.113 2.621 ( 0.000 1.963 -0.781) 2.113 2.688 ( 0.000 -4.248 1.199) 4.414 2.688 ( 0.000 4.248 1.199) 4.414 2.747 ( 0.000 -9.078 1.534) 9.206 2.747 ( 0.000 9.078 1.534) 9.206 2.814 ( 0.000 -0.712 4.058) 4.120 2.814 ( 0.000 0.712 4.058) 4.120 2.845 ( 0.000 -4.263 -0.716) 4.323 2.845 ( 0.000 4.263 -0.716) 4.323 2.956 ( 0.000 -0.269 2.286) 2.302 2.956 ( 0.000 0.269 2.286) 2.302 3.046 ( 0.000 -4.323 2.366) 4.928 3.046 ( 0.000 4.323 2.366) 4.928 3.115 ( 0.000 -2.579 0.206) 2.587 3.115 ( 0.000 2.579 0.206) 2.587 3.177 ( 0.000 -4.495 -5.506) 7.108 3.177 ( 0.000 4.495 -5.506) 7.108 3.237 ( 0.000 -1.197 -4.268) 4.432 3.237 ( 0.000 1.197 -4.268) 4.432 3.295 ( 0.000 -4.027 -3.116) 5.092 3.295 ( 0.000 4.027 -3.116) 5.092 3.356 ( 0.000 -4.614 -2.451) 5.225 3.356 ( 0.000 4.614 -2.451) 5.225 3.368 ( 0.000 -3.845 -2.242) 4.451 3.368 ( 0.000 3.845 -2.242) 4.451 3.476 ( 0.000 -1.369 -3.005) 3.302 3.476 ( 0.000 1.369 -3.005) 3.302 3.543 ( 0.000 -1.628 -0.690) 1.768 3.543 ( 0.000 1.628 -0.690) 1.768 3.575 ( 0.000 -0.968 -4.035) 4.150 3.575 ( 0.000 0.968 -4.035) 4.150 3.622 ( 0.000 -0.241 0.785) 0.821 3.622 ( 0.000 0.241 0.785) 0.821 3.762 ( 0.000 -1.407 1.622) 2.147 3.762 ( 0.000 1.407 1.622) 2.147 3.799 ( 0.000 -1.618 2.596) 3.059 3.799 ( 0.000 1.618 2.596) 3.059 3.832 ( 0.000 -0.566 2.879) 2.934 3.832 ( 0.000 0.566 2.879) 2.934 3.862 ( 0.000 -2.638 -0.089) 2.639 3.862 ( 0.000 2.638 -0.089) 2.639 3.912 ( 0.000 -2.807 1.872) 3.374 3.912 ( 0.000 2.807 1.872) 3.374 3.979 ( 0.000 -3.471 2.233) 4.127 3.979 ( 0.000 3.471 2.233) 4.127 4.063 ( 0.000 -1.082 3.852) 4.001 4.063 ( 0.000 1.082 3.852) 4.001 4.128 ( 0.000 -2.580 2.602) 3.664 4.128 ( 0.000 2.580 2.602) 3.664 4.200 ( 0.000 -3.515 4.162) 5.448 4.200 ( 0.000 3.515 4.162) 5.448 4.256 ( 0.000 -1.232 -0.732) 1.433 4.256 ( 0.000 1.232 -0.732) 1.433 4.331 ( 0.000 -1.365 2.465) 2.817 4.331 ( 0.000 1.365 2.465) 2.817 4.390 ( 0.000 -3.661 2.722) 4.562 4.390 ( 0.000 3.661 2.722) 4.562 4.450 ( 0.000 -0.776 2.362) 2.486 4.450 ( 0.000 0.776 2.362) 2.486 4.543 ( 0.000 -0.876 3.725) 3.827 4.543 ( 0.000 0.876 3.725) 3.827 4.580 ( 0.000 -0.157 2.351) 2.356 4.580 ( 0.000 0.157 2.351) 2.356 4.764 ( 0.000 -5.284 1.768) 5.572 4.764 ( 0.000 5.284 1.768) 5.572 4.829 ( 0.000 -7.427 -1.430) 7.563 4.829 ( 0.000 7.427 -1.430) 7.563 5.016 ( 0.000 -1.350 -0.841) 1.590 5.016 ( 0.000 1.350 -0.841) 1.590 5.092 ( 0.000 -4.715 -1.447) 4.933 5.092 ( 0.000 4.715 -1.447) 4.933 5.185 ( 0.000 -1.468 -4.237) 4.485 5.185 ( 0.000 1.468 -4.237) 4.485 5.212 ( 0.000 -2.271 -0.371) 2.301 5.212 ( 0.000 2.271 -0.371) 2.301 5.308 ( 0.000 -4.711 -1.790) 5.040 5.308 ( 0.000 4.711 -1.790) 5.040 5.329 ( 0.000 -2.100 -2.464) 3.237 5.329 ( 0.000 2.100 -2.464) 3.237 5.402 ( 0.000 -0.232 -4.094) 4.101 5.402 ( 0.000 0.232 -4.094) 4.101 5.485 ( 0.000 -0.559 -1.193) 1.317 5.485 ( 0.000 0.559 -1.193) 1.317 5.510 ( 0.000 -3.358 1.132) 3.543 5.510 ( 0.000 3.358 1.132) 3.543 5.557 ( 0.000 -1.590 -1.780) 2.386 5.557 ( 0.000 1.590 -1.780) 2.386 5.634 ( 0.000 -2.789 -6.139) 6.743 5.634 ( 0.000 2.789 -6.139) 6.743 5.657 ( 0.000 -2.623 2.057) 3.333 5.657 ( 0.000 2.623 2.057) 3.333 5.744 ( 0.000 -0.624 -4.103) 4.150 5.744 ( 0.000 0.624 -4.103) 4.150 5.799 ( 0.000 -1.785 -1.688) 2.457 5.799 ( 0.000 1.785 -1.688) 2.457 5.884 ( 0.000 -1.410 -3.552) 3.822 5.884 ( 0.000 1.410 -3.552) 3.822 5.939 ( 0.000 -4.138 2.254) 4.712 5.939 ( 0.000 4.138 2.254) 4.712 6.033 ( 0.000 -1.720 2.056) 2.681 6.033 ( 0.000 1.720 2.056) 2.681 6.095 ( 0.000 -1.335 6.582) 6.716 6.095 ( 0.000 1.335 6.582) 6.716 6.213 ( 0.000 -2.315 2.627) 3.501 6.213 ( 0.000 2.315 2.627) 3.501 6.228 ( 0.000 -2.084 7.013) 7.316 6.228 ( 0.000 2.084 7.013) 7.316 6.253 ( 0.000 -2.355 2.960) 3.782 6.253 ( 0.000 2.355 2.960) 3.782 6.320 ( 0.000 -0.766 -0.923) 1.199 6.320 ( 0.000 0.766 -0.923) 1.199 6.589 ( 0.000 -2.428 1.083) 2.659 6.589 ( 0.000 2.428 1.083) 2.659 6.616 ( 0.000 -5.109 0.751) 5.164 6.616 ( 0.000 5.109 0.751) 5.164 6.755 ( 0.000 -3.941 -10.224) 10.957 6.755 ( 0.000 3.941 -10.224) 10.957 6.819 ( 0.000 -0.035 -9.940) 9.940 6.819 ( 0.000 0.035 -9.940) 9.940 6.933 ( 0.000 -2.294 -0.447) 2.337 6.933 ( 0.000 2.294 -0.447) 2.337 6.975 ( 0.000 -6.454 -0.349) 6.463 6.975 ( 0.000 6.454 -0.349) 6.463 7.252 ( 0.000 -1.798 -3.564) 3.992 7.252 ( 0.000 1.798 -3.564) 3.992 7.374 ( 0.000 -0.298 -3.987) 3.998 7.374 ( 0.000 0.298 -3.987) 3.998 7.457 ( 0.000 -3.376 -1.931) 3.889 7.457 ( 0.000 3.376 -1.931) 3.889 7.525 ( 0.000 -10.660 3.666) 11.273 7.525 ( 0.000 10.660 3.666) 11.273 7.651 ( 0.000 -5.167 2.329) 5.668 7.651 ( 0.000 5.167 2.329) 5.668 7.751 ( 0.000 -0.628 4.782) 4.823 7.751 ( 0.000 0.628 4.782) 4.823 7.783 ( 0.000 -1.538 5.433) 5.646 7.783 ( 0.000 1.538 5.433) 5.646 7.987 ( 0.000 -1.672 2.990) 3.425 7.987 ( 0.000 1.672 2.990) 3.425 8.122 ( 0.000 -2.813 -3.587) 4.558 8.122 ( 0.000 2.813 -3.587) 4.558 8.215 ( 0.000 -1.581 -2.648) 3.085 8.215 ( 0.000 1.581 -2.648) 3.085 8.333 ( 0.000 -6.398 -1.712) 6.623 8.333 ( 0.000 6.398 -1.712) 6.623 8.373 ( 0.000 -1.661 4.266) 4.578 8.373 ( 0.000 1.661 4.266) 4.578 8.650 ( 0.000 -4.125 1.468) 4.378 8.650 ( 0.000 4.125 1.468) 4.378 8.692 ( 0.000 -1.542 4.217) 4.490 8.692 ( 0.000 1.542 4.217) 4.490 8.835 ( 0.000 -0.051 6.541) 6.541 8.835 ( 0.000 0.051 6.541) 6.541 8.972 ( 0.000 -1.449 -5.232) 5.429 8.972 ( 0.000 1.449 -5.232) 5.429 9.205 ( 0.000 -0.418 2.146) 2.186 9.205 ( 0.000 0.418 2.146) 2.186 9.289 ( 0.000 -0.679 3.697) 3.759 9.289 ( 0.000 0.679 3.697) 3.759 9.479 ( 0.000 -0.997 0.325) 1.049 9.479 ( 0.000 0.997 0.325) 1.049 9.651 ( 0.000 -2.461 -1.447) 2.855 9.651 ( 0.000 2.461 -1.447) 2.855 10.889 ( 0.000 -0.829 -10.422) 10.455 10.889 ( 0.000 0.829 -10.422) 10.455 10.905 ( 0.000 -3.590 -9.906) 10.537 10.905 ( 0.000 3.590 -9.906) 10.537 11.457 ( 0.000 -5.627 6.804) 8.830 11.457 ( 0.000 5.627 6.804) 8.830 11.479 ( 0.000 -3.212 7.487) 8.146 11.479 ( 0.000 3.212 7.487) 8.146 12.243 ( 0.000 -9.722 -0.718) 9.749 12.243 ( 0.000 9.722 -0.718) 9.749 12.266 ( 0.000 -9.811 -0.594) 9.829 12.266 ( 0.000 9.811 -0.594) 9.829 14.502 ( 0.000 -3.228 -0.037) 3.228 14.502 ( 0.000 3.228 -0.037) 3.228 14.582 ( 0.000 -5.327 -0.045) 5.327 14.582 ( 0.000 5.327 -0.045) 5.327 15.327 ( 0.000 -2.007 -6.044) 6.368 15.327 ( 0.000 2.007 -6.044) 6.368 15.345 ( 0.000 -4.257 -5.678) 7.096 15.345 ( 0.000 4.257 -5.678) 7.096 15.846 ( 0.000 -1.012 1.885) 2.140 15.846 ( 0.000 1.012 1.885) 2.140 15.885 ( 0.000 -0.992 3.497) 3.635 15.885 ( 0.000 0.992 3.497) 3.635 16.311 ( 0.000 -0.830 -4.225) 4.306 16.311 ( 0.000 0.830 -4.225) 4.306 16.380 ( 0.000 -0.100 -5.464) 5.465 16.380 ( 0.000 0.100 -5.464) 5.465 16.570 ( 0.000 -1.278 4.008) 4.207 16.570 ( 0.000 1.278 4.008) 4.207 16.630 ( 0.000 -6.573 3.312) 7.360 16.630 ( 0.000 6.573 3.312) 7.360 17.725 ( 0.000 -1.365 2.978) 3.276 17.725 ( 0.000 1.365 2.978) 3.276 17.771 ( 0.000 -2.769 3.116) 4.169 17.771 ( 0.000 2.769 3.116) 4.169 ======================= Grid point 32 (16/32) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -5.463 -6.520 3.542) 9.214 1.480 ( 5.413 -6.509 3.542) 9.177 1.480 ( -5.413 6.509 3.542) 9.177 1.480 ( 5.463 6.520 3.542) 9.214 1.754 ( -3.326 -6.836 6.330) 9.892 1.754 ( 3.239 -6.825 6.330) 9.856 1.754 ( -3.239 6.825 6.330) 9.856 1.754 ( 3.326 6.836 6.330) 9.892 1.986 ( -3.842 -10.825 3.701) 12.068 1.986 ( 3.834 -10.824 3.701) 12.065 1.986 ( -3.834 10.824 3.701) 12.065 1.986 ( 3.842 10.825 3.701) 12.068 2.457 ( -5.350 -4.963 -2.731) 7.791 2.457 ( 4.843 -4.831 -2.731) 7.365 2.457 ( -4.843 4.831 -2.731) 7.365 2.457 ( 5.350 4.963 -2.731) 7.791 2.688 ( -4.777 -1.909 -1.151) 5.271 2.688 ( -3.286 0.799 -1.151) 3.572 2.688 ( 3.286 -0.799 -1.151) 3.572 2.688 ( 4.777 1.909 -1.151) 5.271 2.778 ( -1.614 -3.074 3.882) 5.208 2.778 ( 1.582 -3.070 3.882) 5.196 2.778 ( -1.582 3.070 3.882) 5.196 2.778 ( 1.614 3.074 3.882) 5.208 2.890 ( -5.327 -4.008 0.292) 6.673 2.890 ( 5.201 -3.966 0.292) 6.547 2.890 ( -5.201 3.966 0.292) 6.547 2.890 ( 5.327 4.008 0.292) 6.673 3.072 ( -1.764 -2.916 0.058) 3.408 3.072 ( 1.357 -2.861 0.058) 3.167 3.072 ( -1.357 2.861 0.058) 3.167 3.072 ( 1.764 2.916 0.058) 3.408 3.214 ( -3.648 -4.313 -2.876) 6.339 3.214 ( 2.868 -4.163 -2.876) 5.817 3.214 ( -2.868 4.163 -2.876) 5.817 3.214 ( 3.648 4.313 -2.876) 6.339 3.314 ( -1.338 -4.246 -3.697) 5.787 3.314 ( 0.562 -4.202 -3.697) 5.625 3.314 ( -0.562 4.202 -3.697) 5.625 3.314 ( 1.338 4.246 -3.697) 5.787 3.419 ( -4.327 -2.531 -0.609) 5.050 3.419 ( 4.211 -2.481 -0.609) 4.925 3.419 ( -4.211 2.481 -0.609) 4.925 3.419 ( 4.327 2.531 -0.609) 5.050 3.563 ( -2.618 -0.893 -3.950) 4.822 3.563 ( -1.923 0.089 -3.950) 4.394 3.563 ( 1.923 -0.089 -3.950) 4.394 3.563 ( 2.618 0.893 -3.950) 4.822 3.699 ( -3.770 -1.839 1.752) 4.546 3.699 ( -0.829 0.029 1.752) 1.939 3.699 ( 0.829 -0.029 1.752) 1.939 3.699 ( 3.770 1.839 1.752) 4.546 3.801 ( -0.424 -2.692 -0.200) 2.732 3.801 ( -0.004 -2.683 -0.200) 2.691 3.801 ( 0.004 2.683 -0.200) 2.691 3.801 ( 0.424 2.692 -0.200) 2.732 3.892 ( -0.889 -4.661 2.500) 5.363 3.892 ( 0.774 -4.656 2.500) 5.341 3.892 ( -0.774 4.656 2.500) 5.341 3.892 ( 0.889 4.661 2.500) 5.363 4.030 ( -2.738 -3.279 3.872) 5.766 4.030 ( 2.453 -3.222 3.872) 5.603 4.030 ( -2.453 3.222 3.872) 5.603 4.030 ( 2.738 3.279 3.872) 5.766 4.175 ( -2.411 -4.853 3.099) 6.242 4.175 ( 1.759 -4.782 3.099) 5.964 4.175 ( -1.759 4.782 3.099) 5.964 4.175 ( 2.411 4.853 3.099) 6.242 4.283 ( -2.033 -1.071 0.690) 2.399 4.283 ( -1.188 -0.683 0.690) 1.534 4.283 ( 1.188 0.683 0.690) 1.534 4.283 ( 2.033 1.071 0.690) 2.399 4.434 ( -2.201 -3.008 3.808) 5.328 4.434 ( 1.205 -2.864 3.808) 4.914 4.434 ( -1.205 2.864 3.808) 4.914 4.434 ( 2.201 3.008 3.808) 5.328 4.547 ( -1.081 -3.059 2.351) 4.007 4.547 ( 0.739 -3.034 2.351) 3.909 4.547 ( -0.739 3.034 2.351) 3.909 4.547 ( 1.081 3.059 2.351) 4.007 4.813 ( -2.549 -6.046 -0.471) 6.578 4.813 ( 2.416 -6.032 -0.471) 6.515 4.813 ( -2.416 6.032 -0.471) 6.515 4.813 ( 2.549 6.046 -0.471) 6.578 5.041 ( -3.114 -4.333 -0.453) 5.355 5.041 ( 3.044 -4.321 -0.453) 5.305 5.041 ( -3.044 4.321 -0.453) 5.305 5.041 ( 3.114 4.333 -0.453) 5.355 5.230 ( -3.371 -3.484 -3.843) 6.186 5.230 ( 3.067 -3.414 -3.842) 5.985 5.230 ( -3.067 3.414 -3.842) 5.985 5.230 ( 3.371 3.484 -3.842) 6.186 5.283 ( -3.704 -2.793 -0.706) 4.692 5.283 ( 2.725 -2.496 -0.706) 3.762 5.283 ( -2.725 2.496 -0.706) 3.762 5.283 ( 3.704 2.793 -0.706) 4.692 5.447 ( -2.726 -1.816 -3.930) 5.116 5.447 ( 0.513 -1.228 -3.930) 4.149 5.447 ( -0.513 1.228 -3.930) 4.149 5.447 ( 2.726 1.816 -3.930) 5.116 5.538 ( -1.583 -3.555 1.375) 4.127 5.538 ( 1.562 -3.553 1.375) 4.117 5.538 ( -1.562 3.553 1.375) 4.117 5.538 ( 1.583 3.555 1.375) 4.127 5.649 ( -1.264 -2.700 -4.894) 5.731 5.649 ( 1.183 -2.691 -4.894) 5.709 5.649 ( -1.183 2.691 -4.894) 5.709 5.649 ( 1.264 2.700 -4.894) 5.731 5.765 ( -2.742 -2.760 0.168) 3.894 5.765 ( 1.326 -2.486 0.168) 2.822 5.765 ( -1.326 2.486 0.168) 2.822 5.765 ( 2.742 2.760 0.168) 3.894 5.892 ( -0.650 -3.143 -1.730) 3.646 5.892 ( 0.589 -3.140 -1.730) 3.633 5.892 ( -0.589 3.140 -1.730) 3.633 5.892 ( 0.650 3.143 -1.730) 3.646 6.082 ( -1.611 -1.557 3.930) 4.524 6.082 ( 0.411 -1.348 3.930) 4.175 6.082 ( -0.411 1.348 3.930) 4.175 6.082 ( 1.611 1.557 3.930) 4.524 6.210 ( -1.063 -2.949 4.620) 5.583 6.210 ( 1.046 -2.947 4.620) 5.579 6.210 ( -1.046 2.947 4.620) 5.579 6.210 ( 1.063 2.949 4.620) 5.583 6.298 ( -1.909 -1.113 2.607) 3.417 6.298 ( 1.731 -1.038 2.607) 3.297 6.298 ( -1.731 1.038 2.607) 3.297 6.298 ( 1.909 1.113 2.607) 3.417 6.609 ( -0.943 -2.024 -0.060) 2.234 6.609 ( 0.932 -2.023 -0.060) 2.228 6.609 ( -0.932 2.023 -0.060) 2.228 6.609 ( 0.943 2.024 -0.060) 2.234 6.787 ( -2.151 -1.257 -9.252) 9.582 6.787 ( 1.611 -1.035 -9.252) 9.448 6.787 ( -1.611 1.035 -9.252) 9.448 6.787 ( 2.151 1.257 -9.252) 9.582 6.947 ( -1.398 -3.913 -0.901) 4.252 6.947 ( 1.264 -3.902 -0.901) 4.199 6.947 ( -1.264 3.902 -0.901) 4.199 6.947 ( 1.398 3.913 -0.901) 4.252 7.283 ( -3.303 -2.384 -2.981) 5.048 7.283 ( 3.029 -2.291 -2.981) 4.828 7.283 ( -3.029 2.291 -2.981) 4.828 7.283 ( 3.303 2.384 -2.981) 5.048 7.512 ( -2.624 -6.246 -0.379) 6.785 7.512 ( 2.451 -6.228 -0.379) 6.704 7.512 ( -2.451 6.228 -0.379) 6.704 7.512 ( 2.624 6.246 -0.379) 6.785 7.714 ( -4.028 -2.478 4.882) 6.797 7.714 ( 4.024 -2.476 4.882) 6.794 7.714 ( -4.024 2.476 4.882) 6.794 7.714 ( 4.028 2.478 4.882) 6.797 7.893 ( -8.031 -3.456 1.923) 8.952 7.893 ( -6.361 2.435 1.923) 7.077 7.893 ( 6.361 -2.435 1.923) 7.077 7.893 ( 8.031 3.456 1.923) 8.952 8.138 ( -3.041 -1.772 -1.106) 3.690 8.138 ( -0.300 -0.922 -1.106) 1.471 8.138 ( 0.300 0.922 -1.106) 1.471 8.138 ( 3.041 1.772 -1.106) 3.690 8.370 ( -0.922 -5.014 0.882) 5.173 8.370 ( 0.909 -5.013 0.882) 5.171 8.370 ( -0.909 5.013 0.882) 5.171 8.370 ( 0.922 5.014 0.882) 5.173 8.663 ( -0.568 -7.127 3.469) 7.947 8.663 ( 0.411 -7.125 3.469) 7.935 8.663 ( -0.411 7.125 3.469) 7.935 8.663 ( 0.568 7.127 3.469) 7.947 8.915 ( -3.504 -6.892 -0.125) 7.732 8.915 ( 2.315 -6.765 -0.125) 7.151 8.915 ( -2.315 6.765 -0.125) 7.151 8.915 ( 3.504 6.892 -0.125) 7.732 9.240 ( -2.517 -0.505 2.928) 3.894 9.240 ( -2.411 0.353 2.928) 3.810 9.240 ( 2.411 -0.353 2.928) 3.810 9.240 ( 2.517 0.505 2.928) 3.894 9.572 ( -4.741 -2.667 -0.669) 5.481 9.572 ( -1.971 -1.570 -0.669) 2.607 9.572 ( 1.971 1.570 -0.669) 2.607 9.572 ( 4.741 2.667 -0.669) 5.481 10.897 ( -0.413 -3.133 -10.148) 10.629 10.897 ( 0.377 -3.132 -10.148) 10.627 10.897 ( -0.377 3.132 -10.148) 10.627 10.897 ( 0.413 3.133 -10.148) 10.629 11.468 ( -0.693 -4.677 7.125) 8.551 11.468 ( 0.689 -4.677 7.125) 8.551 11.468 ( -0.689 4.677 7.125) 8.551 11.468 ( 0.693 4.677 7.125) 8.551 12.255 ( -0.652 -11.244 -0.667) 11.283 12.255 ( 0.640 -11.244 -0.667) 11.282 12.255 ( -0.640 11.244 -0.667) 11.282 12.255 ( 0.652 11.244 -0.667) 11.283 14.543 ( -2.514 -4.645 -0.054) 5.282 14.543 ( 2.377 -4.627 -0.054) 5.202 14.543 ( -2.377 4.627 -0.054) 5.202 14.543 ( 2.514 4.645 -0.054) 5.282 15.335 ( -0.548 -3.341 -5.868) 6.775 15.335 ( 0.547 -3.341 -5.868) 6.774 15.335 ( -0.547 3.341 -5.868) 6.774 15.335 ( 0.548 3.341 -5.868) 6.775 15.865 ( -1.101 -1.143 2.692) 3.125 15.865 ( 0.348 -1.017 2.692) 2.898 15.865 ( -0.348 1.017 2.692) 2.898 15.865 ( 1.101 1.143 2.692) 3.125 16.346 ( -1.717 -1.069 -4.880) 5.282 16.346 ( -1.094 -0.840 -4.880) 5.071 16.346 ( 1.094 0.840 -4.880) 5.071 16.346 ( 1.717 1.069 -4.880) 5.282 16.599 ( -1.920 -4.374 3.758) 6.078 16.599 ( 1.919 -4.374 3.758) 6.078 16.599 ( -1.919 4.374 3.758) 6.078 16.599 ( 1.920 4.374 3.758) 6.078 17.749 ( -1.341 -2.533 3.018) 4.162 17.749 ( 1.100 -2.504 3.018) 4.073 17.749 ( -1.100 2.504 3.018) 4.073 17.749 ( 1.341 2.533 3.018) 4.162 ======================= Grid point 42 (17/32) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.000 0.000 20.640) 20.640 1.160 ( 0.000 0.000 25.696) 25.696 1.446 ( 0.000 0.000 13.752) 13.752 1.525 ( 0.000 0.000 15.473) 15.473 1.575 ( 0.000 0.000 15.744) 15.744 1.780 ( 0.000 0.000 14.015) 14.015 1.859 ( 0.000 0.000 12.507) 12.507 1.937 ( 0.000 0.000 21.206) 21.206 1.999 ( 0.000 0.000 9.258) 9.258 2.241 ( 0.000 0.000 2.880) 2.880 2.244 ( 0.000 0.000 6.878) 6.878 2.308 ( 0.000 0.000 -7.848) 7.848 2.342 ( 0.000 0.000 1.926) 1.926 2.449 ( 0.000 0.000 1.471) 1.471 2.461 ( 0.000 0.000 12.542) 12.542 2.538 ( 0.000 0.000 -2.005) 2.005 2.590 ( 0.000 0.000 -8.559) 8.559 2.601 ( 0.000 0.000 6.312) 6.312 2.643 ( 0.000 0.000 1.911) 1.911 2.666 ( 0.000 0.000 1.370) 1.370 2.745 ( 0.000 0.000 -5.575) 5.575 2.789 ( 0.000 0.000 -9.496) 9.496 2.796 ( 0.000 0.000 12.429) 12.429 2.880 ( 0.000 0.000 -3.070) 3.070 2.909 ( 0.000 0.000 4.571) 4.571 2.914 ( 0.000 0.000 -0.624) 0.624 2.923 ( 0.000 0.000 -4.454) 4.454 2.956 ( 0.000 0.000 4.031) 4.031 2.980 ( 0.000 0.000 -6.196) 6.196 3.008 ( 0.000 0.000 0.557) 0.557 3.013 ( 0.000 0.000 2.988) 2.988 3.084 ( 0.000 0.000 1.845) 1.845 3.095 ( 0.000 0.000 -1.533) 1.533 3.110 ( 0.000 0.000 -3.045) 3.045 3.119 ( 0.000 0.000 -8.230) 8.230 3.166 ( 0.000 0.000 -6.539) 6.539 3.265 ( 0.000 0.000 3.181) 3.181 3.286 ( 0.000 0.000 -2.954) 2.954 3.287 ( 0.000 0.000 4.378) 4.378 3.303 ( 0.000 0.000 -6.647) 6.647 3.372 ( 0.000 0.000 -0.961) 0.961 3.404 ( 0.000 0.000 -0.638) 0.638 3.438 ( 0.000 0.000 10.208) 10.208 3.445 ( 0.000 0.000 3.909) 3.909 3.467 ( 0.000 0.000 0.889) 0.889 3.472 ( 0.000 0.000 -1.276) 1.276 3.510 ( 0.000 0.000 -1.322) 1.322 3.603 ( 0.000 0.000 0.765) 0.765 3.612 ( 0.000 0.000 -4.805) 4.805 3.647 ( 0.000 0.000 4.114) 4.114 3.721 ( 0.000 0.000 -0.629) 0.629 3.731 ( 0.000 0.000 -6.407) 6.407 3.745 ( 0.000 0.000 -8.060) 8.060 3.803 ( 0.000 0.000 4.448) 4.448 3.809 ( 0.000 0.000 0.020) 0.020 3.841 ( 0.000 0.000 0.060) 0.060 3.845 ( 0.000 0.000 0.607) 0.607 3.848 ( 0.000 0.000 -2.988) 2.988 3.919 ( 0.000 0.000 2.999) 2.999 3.949 ( 0.000 0.000 1.217) 1.217 3.965 ( 0.000 0.000 -3.102) 3.102 3.982 ( 0.000 0.000 2.623) 2.623 4.103 ( 0.000 0.000 -7.111) 7.111 4.120 ( 0.000 0.000 -0.059) 0.059 4.156 ( 0.000 0.000 -0.408) 0.408 4.160 ( 0.000 0.000 2.481) 2.481 4.194 ( 0.000 0.000 -0.428) 0.428 4.231 ( 0.000 0.000 0.773) 0.773 4.254 ( 0.000 0.000 3.354) 3.354 4.256 ( 0.000 0.000 3.873) 3.873 4.322 ( 0.000 0.000 -1.548) 1.548 4.333 ( 0.000 0.000 -1.603) 1.603 4.363 ( 0.000 0.000 -4.744) 4.744 4.388 ( 0.000 0.000 5.442) 5.442 4.388 ( 0.000 0.000 -0.999) 0.999 4.438 ( 0.000 0.000 -0.217) 0.217 4.471 ( 0.000 0.000 2.181) 2.181 4.481 ( 0.000 0.000 0.426) 0.426 4.496 ( 0.000 0.000 -4.571) 4.571 4.505 ( 0.000 0.000 -0.525) 0.525 4.603 ( 0.000 0.000 0.104) 0.104 4.610 ( 0.000 0.000 2.080) 2.080 4.632 ( 0.000 0.000 -7.934) 7.934 4.703 ( 0.000 0.000 0.973) 0.973 4.747 ( 0.000 0.000 -5.556) 5.556 4.780 ( 0.000 0.000 -2.704) 2.704 4.822 ( 0.000 0.000 -3.266) 3.266 4.892 ( 0.000 0.000 4.883) 4.883 4.902 ( 0.000 0.000 -7.240) 7.240 4.925 ( 0.000 0.000 -1.207) 1.207 4.963 ( 0.000 0.000 5.605) 5.605 5.056 ( 0.000 0.000 -4.702) 4.702 5.118 ( 0.000 0.000 1.036) 1.036 5.158 ( 0.000 0.000 -2.643) 2.643 5.208 ( 0.000 0.000 -4.800) 4.800 5.301 ( 0.000 0.000 -4.756) 4.756 5.330 ( 0.000 0.000 -3.281) 3.281 5.369 ( 0.000 0.000 -3.872) 3.872 5.380 ( 0.000 0.000 0.536) 0.536 5.385 ( 0.000 0.000 2.109) 2.109 5.469 ( 0.000 0.000 -1.012) 1.012 5.480 ( 0.000 0.000 -8.154) 8.154 5.484 ( 0.000 0.000 -6.827) 6.827 5.510 ( 0.000 0.000 0.778) 0.778 5.538 ( 0.000 0.000 -1.807) 1.807 5.603 ( 0.000 0.000 -0.833) 0.833 5.636 ( 0.000 0.000 1.361) 1.361 5.645 ( 0.000 0.000 0.512) 0.512 5.659 ( 0.000 0.000 -2.525) 2.525 5.679 ( 0.000 0.000 -3.254) 3.254 5.701 ( 0.000 0.000 -2.420) 2.420 5.741 ( 0.000 0.000 -1.252) 1.252 5.780 ( 0.000 0.000 1.506) 1.506 5.848 ( 0.000 0.000 -1.534) 1.534 5.920 ( 0.000 0.000 -0.688) 0.688 5.946 ( 0.000 0.000 5.228) 5.228 5.954 ( 0.000 0.000 -0.725) 0.725 5.958 ( 0.000 0.000 -3.038) 3.038 5.992 ( 0.000 0.000 -6.004) 6.004 6.067 ( 0.000 0.000 0.214) 0.214 6.079 ( 0.000 0.000 -8.282) 8.282 6.156 ( 0.000 0.000 3.906) 3.906 6.176 ( 0.000 0.000 2.939) 2.939 6.268 ( 0.000 0.000 7.094) 7.094 6.368 ( 0.000 0.000 1.060) 1.060 6.403 ( 0.000 0.000 3.263) 3.263 6.423 ( 0.000 0.000 -3.377) 3.377 6.465 ( 0.000 0.000 2.629) 2.629 6.559 ( 0.000 0.000 -0.681) 0.681 6.660 ( 0.000 0.000 -6.656) 6.656 6.708 ( 0.000 0.000 -0.891) 0.891 6.742 ( 0.000 0.000 -3.578) 3.578 6.823 ( 0.000 0.000 12.718) 12.718 6.849 ( 0.000 0.000 -7.808) 7.808 6.909 ( 0.000 0.000 12.817) 12.817 6.909 ( 0.000 0.000 -6.985) 6.985 6.969 ( 0.000 0.000 -0.552) 0.552 6.974 ( 0.000 0.000 3.991) 3.991 7.085 ( 0.000 0.000 -4.188) 4.188 7.145 ( 0.000 0.000 -1.078) 1.078 7.277 ( 0.000 0.000 5.224) 5.224 7.328 ( 0.000 0.000 2.042) 2.042 7.338 ( 0.000 0.000 4.304) 4.304 7.356 ( 0.000 0.000 0.205) 0.205 7.363 ( 0.000 0.000 0.002) 0.002 7.399 ( 0.000 0.000 1.300) 1.300 7.458 ( 0.000 0.000 -2.123) 2.123 7.592 ( 0.000 0.000 4.781) 4.781 7.676 ( 0.000 0.000 2.406) 2.406 7.755 ( 0.000 0.000 5.860) 5.860 7.769 ( 0.000 0.000 -1.038) 1.038 7.864 ( 0.000 0.000 1.846) 1.846 7.971 ( 0.000 0.000 0.785) 0.785 8.022 ( 0.000 0.000 3.065) 3.065 8.098 ( 0.000 0.000 4.023) 4.023 8.126 ( 0.000 0.000 2.320) 2.320 8.195 ( 0.000 0.000 -0.428) 0.428 8.219 ( 0.000 0.000 0.373) 0.373 8.267 ( 0.000 0.000 11.001) 11.001 8.330 ( 0.000 0.000 -1.521) 1.521 8.350 ( 0.000 0.000 2.581) 2.581 8.363 ( 0.000 0.000 4.275) 4.275 8.366 ( 0.000 0.000 -3.263) 3.263 8.401 ( 0.000 0.000 -0.034) 0.034 8.615 ( 0.000 0.000 -2.874) 2.874 8.697 ( 0.000 0.000 -4.320) 4.320 8.801 ( 0.000 0.000 -6.474) 6.474 8.881 ( 0.000 0.000 -3.585) 3.585 9.063 ( 0.000 0.000 -4.017) 4.017 9.146 ( 0.000 0.000 -2.642) 2.642 9.280 ( 0.000 0.000 -0.555) 0.555 9.290 ( 0.000 0.000 -4.642) 4.642 9.326 ( 0.000 0.000 -1.403) 1.403 9.373 ( 0.000 0.000 -2.945) 2.945 9.525 ( 0.000 0.000 -3.295) 3.295 9.536 ( 0.000 0.000 -2.897) 2.897 9.570 ( 0.000 0.000 -4.540) 4.540 9.754 ( 0.000 0.000 0.023) 0.023 9.762 ( 0.000 0.000 1.015) 1.015 9.830 ( 0.000 0.000 0.304) 0.304 10.334 ( 0.000 0.000 -2.693) 2.693 10.551 ( 0.000 0.000 0.506) 0.506 10.663 ( 0.000 0.000 3.590) 3.590 10.862 ( 0.000 0.000 -4.851) 4.851 11.210 ( 0.000 0.000 4.289) 4.289 11.328 ( 0.000 0.000 1.199) 1.199 11.387 ( 0.000 0.000 7.204) 7.204 11.459 ( 0.000 0.000 4.720) 4.720 11.969 ( 0.000 0.000 0.752) 0.752 11.973 ( 0.000 0.000 0.513) 0.513 12.619 ( 0.000 0.000 -0.395) 0.395 12.642 ( 0.000 0.000 -1.126) 1.126 14.434 ( 0.000 0.000 0.873) 0.873 14.495 ( 0.000 0.000 -0.121) 0.121 14.716 ( 0.000 0.000 -1.957) 1.957 14.949 ( 0.000 0.000 0.343) 0.343 14.951 ( 0.000 0.000 0.318) 0.318 14.991 ( 0.000 0.000 -13.179) 13.179 15.116 ( 0.000 0.000 0.381) 0.381 15.120 ( 0.000 0.000 0.335) 0.335 15.858 ( 0.000 0.000 0.297) 0.297 15.880 ( 0.000 0.000 -1.439) 1.439 15.920 ( 0.000 0.000 2.119) 2.119 15.957 ( 0.000 0.000 1.090) 1.090 16.154 ( 0.000 0.000 0.178) 0.178 16.170 ( 0.000 0.000 -0.234) 0.234 16.235 ( 0.000 0.000 -2.048) 2.048 16.255 ( 0.000 0.000 -2.557) 2.557 16.552 ( 0.000 0.000 3.109) 3.109 16.648 ( 0.000 0.000 4.415) 4.415 16.681 ( 0.000 0.000 1.061) 1.061 16.929 ( 0.000 0.000 -5.197) 5.197 17.894 ( 0.000 0.000 6.148) 6.148 17.906 ( 0.000 0.000 3.798) 3.798 18.118 ( 0.000 0.000 1.174) 1.174 18.165 ( 0.000 0.000 0.134) 0.134 ======================= Grid point 43 (18/32) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -13.832 0.000 17.182) 22.058 1.109 ( 13.832 0.000 17.182) 22.058 1.310 ( -11.284 0.000 21.800) 24.547 1.310 ( 11.284 0.000 21.800) 24.547 1.748 ( -9.031 0.000 10.259) 13.667 1.748 ( 9.031 0.000 10.259) 13.667 2.041 ( -8.422 0.000 22.943) 24.440 2.041 ( 8.422 0.000 22.943) 24.440 2.061 ( -12.558 0.000 8.001) 14.891 2.061 ( 12.558 0.000 8.001) 14.891 2.240 ( -13.837 0.000 1.135) 13.883 2.240 ( 13.837 0.000 1.135) 13.883 2.392 ( -3.259 0.000 2.118) 3.886 2.392 ( 3.259 0.000 2.118) 3.886 2.478 ( -3.941 0.000 -0.283) 3.951 2.478 ( 3.941 0.000 -0.283) 3.951 2.566 ( -2.169 0.000 -1.795) 2.816 2.566 ( 2.169 0.000 -1.795) 2.816 2.725 ( -4.258 0.000 1.539) 4.528 2.725 ( 4.258 0.000 1.539) 4.528 2.784 ( -7.571 0.000 -1.240) 7.672 2.784 ( 7.571 0.000 -1.240) 7.672 2.789 ( -3.001 0.000 -1.831) 3.516 2.789 ( 3.001 0.000 -1.831) 3.516 2.875 ( -0.962 0.000 -4.118) 4.228 2.875 ( 0.962 0.000 -4.118) 4.228 2.928 ( -2.982 0.000 -0.369) 3.005 2.928 ( 2.982 0.000 -0.369) 3.005 3.051 ( -4.976 0.000 -1.761) 5.278 3.051 ( 4.976 0.000 -1.761) 5.278 3.057 ( -2.632 0.000 -0.007) 2.632 3.057 ( 2.632 0.000 -0.007) 2.632 3.084 ( -1.731 0.000 1.543) 2.319 3.084 ( 1.731 0.000 1.543) 2.319 3.202 ( -4.574 0.000 -2.974) 5.456 3.202 ( 4.574 0.000 -2.974) 5.456 3.226 ( -3.686 0.000 -5.618) 6.719 3.226 ( 3.686 0.000 -5.618) 6.719 3.304 ( -3.564 0.000 -0.515) 3.601 3.304 ( 3.564 0.000 -0.515) 3.601 3.346 ( -4.217 0.000 6.297) 7.579 3.346 ( 4.217 0.000 6.297) 7.579 3.434 ( -1.486 0.000 1.575) 2.165 3.434 ( 1.486 0.000 1.575) 2.165 3.531 ( -0.479 0.000 -2.325) 2.374 3.531 ( 0.479 0.000 -2.325) 2.374 3.549 ( -4.472 0.000 2.735) 5.242 3.549 ( 4.472 0.000 2.735) 5.242 3.652 ( -1.852 0.000 -4.582) 4.942 3.652 ( 1.852 0.000 -4.582) 4.942 3.718 ( -1.461 0.000 -7.365) 7.509 3.718 ( 1.461 0.000 -7.365) 7.509 3.729 ( -5.494 0.000 7.104) 8.980 3.729 ( 5.494 0.000 7.104) 8.980 3.836 ( -0.873 0.000 -0.818) 1.196 3.836 ( 0.873 0.000 -0.818) 1.196 3.889 ( -2.786 0.000 2.014) 3.438 3.889 ( 2.786 0.000 2.014) 3.438 3.899 ( -3.933 0.000 -1.897) 4.367 3.899 ( 3.933 0.000 -1.897) 4.367 3.999 ( -3.613 0.000 -0.675) 3.675 3.999 ( 3.613 0.000 -0.675) 3.675 4.100 ( -7.202 0.000 3.129) 7.852 4.100 ( 7.202 0.000 3.129) 7.852 4.139 ( -1.429 0.000 0.363) 1.475 4.139 ( 1.429 0.000 0.363) 1.475 4.222 ( -6.208 0.000 -5.202) 8.100 4.222 ( 6.208 0.000 -5.202) 8.100 4.258 ( -1.029 0.000 1.919) 2.177 4.258 ( 1.029 0.000 1.919) 2.177 4.332 ( -2.124 0.000 0.277) 2.142 4.332 ( 2.124 0.000 0.277) 2.142 4.363 ( -1.960 0.000 -0.041) 1.961 4.363 ( 1.960 0.000 -0.041) 1.961 4.411 ( -2.643 0.000 2.369) 3.549 4.411 ( 2.643 0.000 2.369) 3.549 4.486 ( -2.431 0.000 -2.183) 3.267 4.486 ( 2.431 0.000 -2.183) 3.267 4.542 ( -4.265 0.000 -1.261) 4.447 4.542 ( 4.265 0.000 -1.261) 4.447 4.561 ( -3.268 0.000 1.065) 3.437 4.561 ( 3.268 0.000 1.065) 3.437 4.647 ( -2.739 0.000 -5.077) 5.768 4.647 ( 2.739 0.000 -5.077) 5.768 4.798 ( -1.317 0.000 -3.260) 3.516 4.798 ( 1.317 0.000 -3.260) 3.516 4.824 ( -4.343 0.000 -1.717) 4.670 4.824 ( 4.343 0.000 -1.717) 4.670 4.946 ( -1.232 0.000 1.086) 1.643 4.946 ( 1.232 0.000 1.086) 1.643 5.049 ( -7.403 0.000 -1.295) 7.515 5.049 ( 7.403 0.000 -1.295) 7.515 5.080 ( -2.089 0.000 -0.586) 2.170 5.080 ( 2.089 0.000 -0.586) 2.170 5.266 ( -4.500 0.000 -2.971) 5.393 5.266 ( 4.500 0.000 -2.971) 5.393 5.314 ( -1.416 0.000 -4.789) 4.994 5.314 ( 1.416 0.000 -4.789) 4.994 5.440 ( -3.648 0.000 -0.428) 3.673 5.440 ( 3.648 0.000 -0.428) 3.673 5.454 ( -3.262 0.000 -1.133) 3.453 5.454 ( 3.262 0.000 -1.133) 3.453 5.507 ( -3.126 0.000 -0.276) 3.138 5.507 ( 3.126 0.000 -0.276) 3.138 5.524 ( -4.213 0.000 -4.858) 6.431 5.524 ( 4.213 0.000 -4.858) 6.431 5.631 ( -4.057 0.000 -1.844) 4.457 5.631 ( 4.057 0.000 -1.844) 4.457 5.695 ( -1.425 0.000 -2.277) 2.686 5.695 ( 1.425 0.000 -2.277) 2.686 5.721 ( -1.264 0.000 -1.728) 2.141 5.721 ( 1.264 0.000 -1.728) 2.141 5.821 ( -3.320 0.000 2.753) 4.313 5.821 ( 3.320 0.000 2.753) 4.313 5.890 ( -3.540 0.000 -4.631) 5.829 5.890 ( 3.540 0.000 -4.631) 5.829 6.002 ( -1.191 0.000 -4.845) 4.989 6.002 ( 1.191 0.000 -4.845) 4.989 6.091 ( -4.222 0.000 0.808) 4.298 6.091 ( 4.222 0.000 0.808) 4.298 6.159 ( -10.218 0.000 -0.239) 10.221 6.159 ( 10.218 0.000 -0.239) 10.221 6.209 ( -3.144 0.000 6.169) 6.924 6.209 ( 3.144 0.000 6.169) 6.924 6.235 ( -8.636 0.000 1.497) 8.764 6.235 ( 8.636 0.000 1.497) 8.764 6.541 ( -2.993 0.000 1.408) 3.308 6.541 ( 2.993 0.000 1.408) 3.308 6.618 ( -6.918 0.000 0.022) 6.918 6.618 ( 6.918 0.000 0.022) 6.918 6.659 ( -3.617 0.000 -5.281) 6.401 6.659 ( 3.617 0.000 -5.281) 6.401 6.825 ( -3.926 0.000 -5.611) 6.849 6.825 ( 3.926 0.000 -5.611) 6.849 6.870 ( -2.930 0.000 12.779) 13.111 6.870 ( 2.930 0.000 12.779) 13.111 6.976 ( -2.778 0.000 -6.077) 6.682 6.976 ( 2.778 0.000 -6.077) 6.682 7.247 ( -4.169 0.000 3.308) 5.322 7.247 ( 4.169 0.000 3.308) 5.322 7.311 ( -1.627 0.000 2.852) 3.284 7.311 ( 1.627 0.000 2.852) 3.284 7.359 ( -0.221 0.000 0.004) 0.221 7.359 ( 0.221 0.000 0.004) 0.221 7.422 ( -1.924 0.000 0.159) 1.930 7.422 ( 1.924 0.000 0.159) 1.930 7.441 ( -15.565 0.000 2.385) 15.747 7.441 ( 15.565 0.000 2.385) 15.747 7.674 ( -4.740 0.000 6.277) 7.865 7.674 ( 4.740 0.000 6.277) 7.865 7.780 ( -1.615 0.000 -1.412) 2.146 7.780 ( 1.615 0.000 -1.412) 2.146 8.045 ( -2.495 0.000 2.601) 3.604 8.045 ( 2.495 0.000 2.601) 3.604 8.092 ( -3.857 0.000 3.785) 5.404 8.092 ( 3.857 0.000 3.785) 5.404 8.207 ( -0.779 0.000 -0.011) 0.779 8.207 ( 0.779 0.000 -0.011) 0.779 8.288 ( -3.737 0.000 6.271) 7.300 8.288 ( 3.737 0.000 6.271) 7.300 8.348 ( -1.158 0.000 -2.469) 2.727 8.348 ( 1.158 0.000 -2.469) 2.727 8.431 ( -0.146 0.000 1.828) 1.834 8.431 ( 0.146 0.000 1.828) 1.834 8.632 ( -3.782 0.000 0.372) 3.801 8.632 ( 3.782 0.000 0.372) 3.801 8.833 ( -2.565 0.000 -7.904) 8.310 8.833 ( 2.565 0.000 -7.904) 8.310 9.087 ( -4.778 0.000 -3.791) 6.099 9.087 ( 4.778 0.000 -3.791) 6.099 9.347 ( -1.489 0.000 -2.032) 2.519 9.347 ( 1.489 0.000 -2.032) 2.519 9.396 ( -8.012 0.000 -0.890) 8.061 9.396 ( 8.012 0.000 -0.890) 8.061 9.474 ( -6.213 0.000 0.165) 6.215 9.474 ( 6.213 0.000 0.165) 6.215 9.550 ( -1.428 0.000 -4.056) 4.300 9.550 ( 1.428 0.000 -4.056) 4.300 9.874 ( -1.313 0.000 -2.795) 3.088 9.874 ( 1.313 0.000 -2.795) 3.088 10.429 ( -6.413 0.000 0.564) 6.438 10.429 ( 6.413 0.000 0.564) 6.438 10.780 ( -5.692 0.000 -0.809) 5.749 10.780 ( 5.692 0.000 -0.809) 5.749 11.256 ( -3.398 0.000 3.562) 4.923 11.256 ( 3.398 0.000 3.562) 4.923 11.436 ( -1.901 0.000 5.144) 5.484 11.436 ( 1.901 0.000 5.144) 5.484 11.973 ( -0.472 0.000 0.307) 0.563 11.973 ( 0.472 0.000 0.307) 0.563 12.631 ( -0.726 0.000 -0.769) 1.058 12.631 ( 0.726 0.000 -0.769) 1.058 14.464 ( -2.266 0.000 0.802) 2.403 14.464 ( 2.266 0.000 0.802) 2.403 14.864 ( -8.854 0.000 -9.272) 12.821 14.864 ( 8.854 0.000 -9.272) 12.821 14.950 ( -0.068 0.000 0.331) 0.338 14.950 ( 0.068 0.000 0.331) 0.338 15.118 ( -0.138 0.000 0.358) 0.383 15.118 ( 0.138 0.000 0.358) 0.383 15.869 ( -0.755 0.000 -0.284) 0.807 15.869 ( 0.755 0.000 -0.284) 0.807 15.940 ( -1.208 0.000 1.316) 1.786 15.940 ( 1.208 0.000 1.316) 1.786 16.161 ( -0.499 0.000 -0.005) 0.499 16.161 ( 0.499 0.000 -0.005) 0.499 16.246 ( -0.631 0.000 -2.326) 2.410 16.246 ( 0.631 0.000 -2.326) 2.410 16.572 ( -1.935 0.000 3.627) 4.111 16.572 ( 1.935 0.000 3.627) 4.111 16.829 ( -6.844 0.000 -1.494) 7.006 16.829 ( 6.844 0.000 -1.494) 7.006 17.902 ( -0.379 0.000 5.036) 5.051 17.902 ( 0.379 0.000 5.036) 5.051 18.135 ( -1.464 0.000 1.077) 1.817 18.135 ( 1.464 0.000 1.077) 1.817 ======================= Grid point 45 (19/32) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 10.998 16.783) 20.065 1.222 ( 0.000 6.969 23.155) 24.181 1.525 ( 0.000 6.365 13.506) 14.931 1.539 ( 0.000 1.040 14.253) 14.291 1.622 ( 0.000 5.104 17.727) 18.447 1.698 ( 0.000 -5.033 8.319) 9.723 1.935 ( 0.000 2.411 3.925) 4.606 2.047 ( 0.000 2.705 4.240) 5.029 2.134 ( 0.000 -8.001 4.158) 9.017 2.155 ( 0.000 14.887 18.033) 23.384 2.209 ( 0.000 -2.487 4.448) 5.096 2.351 ( 0.000 4.532 -0.754) 4.594 2.416 ( 0.000 1.838 9.892) 10.061 2.435 ( 0.000 3.499 -3.811) 5.173 2.463 ( 0.000 -1.506 -2.481) 2.902 2.534 ( 0.000 2.549 1.682) 3.054 2.622 ( 0.000 0.211 -5.486) 5.490 2.630 ( 0.000 -3.190 0.898) 3.313 2.678 ( 0.000 3.936 2.734) 4.793 2.719 ( 0.000 1.897 0.084) 1.899 2.743 ( 0.000 0.278 -4.513) 4.521 2.754 ( 0.000 -2.585 -3.410) 4.279 2.819 ( 0.000 0.220 7.369) 7.372 2.889 ( 0.000 2.667 4.234) 5.004 2.893 ( 0.000 -2.236 0.535) 2.299 2.896 ( 0.000 -2.764 -0.191) 2.770 2.917 ( 0.000 1.098 0.842) 1.384 2.978 ( 0.000 -0.636 -5.185) 5.224 2.984 ( 0.000 2.354 4.615) 5.181 2.999 ( 0.000 0.937 -5.754) 5.830 3.025 ( 0.000 -1.425 -3.329) 3.621 3.034 ( 0.000 -0.833 -2.208) 2.359 3.064 ( 0.000 3.285 -0.190) 3.290 3.074 ( 0.000 -1.879 -0.779) 2.034 3.131 ( 0.000 -1.571 -0.946) 1.834 3.180 ( 0.000 -6.320 3.310) 7.134 3.239 ( 0.000 3.462 -4.019) 5.305 3.268 ( 0.000 0.054 3.081) 3.082 3.271 ( 0.000 -1.270 -1.875) 2.264 3.314 ( 0.000 0.319 -4.281) 4.293 3.361 ( 0.000 -2.865 5.315) 6.038 3.366 ( 0.000 -1.123 -0.697) 1.322 3.381 ( 0.000 -3.177 4.256) 5.311 3.417 ( 0.000 -2.997 -0.524) 3.042 3.485 ( 0.000 0.577 1.909) 1.994 3.509 ( 0.000 -1.608 -4.767) 5.031 3.550 ( 0.000 0.921 -4.044) 4.147 3.559 ( 0.000 2.417 -2.938) 3.805 3.569 ( 0.000 3.606 0.436) 3.632 3.681 ( 0.000 -0.350 -2.807) 2.829 3.691 ( 0.000 3.653 1.960) 4.146 3.710 ( 0.000 -3.615 0.170) 3.619 3.725 ( 0.000 -1.794 -1.756) 2.510 3.797 ( 0.000 1.702 0.526) 1.782 3.827 ( 0.000 -0.287 0.020) 0.288 3.836 ( 0.000 2.014 0.080) 2.016 3.899 ( 0.000 2.522 5.320) 5.888 3.904 ( 0.000 1.857 0.499) 1.922 3.944 ( 0.000 3.873 1.859) 4.296 3.972 ( 0.000 -0.109 1.334) 1.339 3.987 ( 0.000 -5.920 -4.904) 7.688 4.055 ( 0.000 3.705 0.454) 3.732 4.066 ( 0.000 5.069 -0.286) 5.077 4.133 ( 0.000 -0.992 -0.807) 1.279 4.150 ( 0.000 -2.264 4.506) 5.043 4.164 ( 0.000 1.070 0.040) 1.071 4.213 ( 0.000 2.385 -2.565) 3.502 4.219 ( 0.000 -1.753 0.539) 1.834 4.276 ( 0.000 0.085 0.371) 0.380 4.296 ( 0.000 1.725 2.922) 3.393 4.318 ( 0.000 2.781 -0.639) 2.853 4.345 ( 0.000 -1.085 1.960) 2.240 4.368 ( 0.000 -0.605 0.936) 1.115 4.375 ( 0.000 -3.210 -3.359) 4.646 4.402 ( 0.000 4.407 -1.808) 4.763 4.421 ( 0.000 3.740 3.162) 4.898 4.456 ( 0.000 2.006 -1.064) 2.271 4.510 ( 0.000 6.211 -2.622) 6.742 4.539 ( 0.000 2.720 0.895) 2.864 4.588 ( 0.000 3.886 -2.397) 4.566 4.624 ( 0.000 3.931 3.052) 4.977 4.659 ( 0.000 1.069 -1.070) 1.512 4.680 ( 0.000 0.716 2.057) 2.178 4.753 ( 0.000 9.538 1.202) 9.613 4.782 ( 0.000 5.294 -3.676) 6.445 4.819 ( 0.000 -0.408 -1.267) 1.331 4.877 ( 0.000 0.798 -5.482) 5.540 4.904 ( 0.000 6.456 -8.706) 10.839 4.965 ( 0.000 5.929 1.589) 6.138 4.968 ( 0.000 3.131 -1.691) 3.558 5.011 ( 0.000 4.388 7.242) 8.468 5.041 ( 0.000 -1.589 -4.191) 4.482 5.163 ( 0.000 1.154 -1.541) 1.925 5.171 ( 0.000 3.086 -4.163) 5.182 5.218 ( 0.000 0.733 -4.354) 4.415 5.284 ( 0.000 -1.191 -4.859) 5.002 5.287 ( 0.000 -2.880 -1.741) 3.365 5.375 ( 0.000 -2.178 -3.640) 4.241 5.399 ( 0.000 -0.899 -1.683) 1.908 5.401 ( 0.000 1.534 0.174) 1.544 5.431 ( 0.000 3.823 -1.467) 4.094 5.456 ( 0.000 -1.177 -4.965) 5.103 5.520 ( 0.000 0.836 1.781) 1.967 5.547 ( 0.000 -0.744 -1.428) 1.610 5.581 ( 0.000 2.363 1.892) 3.027 5.600 ( 0.000 1.655 -4.377) 4.679 5.613 ( 0.000 0.334 -2.362) 2.386 5.643 ( 0.000 0.307 -1.630) 1.659 5.660 ( 0.000 1.254 -0.051) 1.255 5.734 ( 0.000 2.986 -1.276) 3.247 5.741 ( 0.000 2.749 -0.550) 2.803 5.800 ( 0.000 2.263 0.660) 2.357 5.850 ( 0.000 -0.212 -0.632) 0.666 5.868 ( 0.000 5.262 -4.341) 6.822 5.895 ( 0.000 -1.835 -1.239) 2.214 5.937 ( 0.000 1.350 2.481) 2.824 5.987 ( 0.000 3.375 1.756) 3.805 6.011 ( 0.000 2.621 -4.559) 5.259 6.082 ( 0.000 0.686 -6.316) 6.353 6.085 ( 0.000 5.850 -2.517) 6.369 6.111 ( 0.000 6.255 -0.183) 6.258 6.174 ( 0.000 1.920 1.855) 2.670 6.253 ( 0.000 4.713 3.154) 5.671 6.259 ( 0.000 0.109 4.388) 4.390 6.323 ( 0.000 -4.635 3.461) 5.784 6.395 ( 0.000 -2.593 -3.639) 4.468 6.450 ( 0.000 3.688 0.446) 3.715 6.452 ( 0.000 -1.570 4.655) 4.912 6.550 ( 0.000 -1.064 -0.973) 1.442 6.669 ( 0.000 -3.324 -5.202) 6.173 6.693 ( 0.000 1.384 -5.024) 5.211 6.719 ( 0.000 -1.425 -2.467) 2.849 6.786 ( 0.000 -5.636 3.745) 6.767 6.827 ( 0.000 0.253 6.641) 6.646 6.880 ( 0.000 -2.160 0.457) 2.208 6.918 ( 0.000 -1.532 -0.694) 1.682 6.936 ( 0.000 -2.735 4.682) 5.422 6.979 ( 0.000 0.586 -2.428) 2.498 7.099 ( 0.000 0.607 -3.329) 3.384 7.124 ( 0.000 -1.757 -0.798) 1.930 7.179 ( 0.000 -10.210 2.498) 10.511 7.226 ( 0.000 -7.221 -0.464) 7.236 7.276 ( 0.000 -3.016 0.879) 3.142 7.308 ( 0.000 -4.503 0.955) 4.603 7.332 ( 0.000 -4.121 0.524) 4.155 7.336 ( 0.000 0.134 -1.148) 1.156 7.420 ( 0.000 -1.809 -0.334) 1.840 7.621 ( 0.000 2.037 5.485) 5.851 7.721 ( 0.000 2.959 3.322) 4.449 7.786 ( 0.000 1.122 0.059) 1.123 7.792 ( 0.000 2.881 2.893) 4.083 7.880 ( 0.000 0.818 3.003) 3.112 7.953 ( 0.000 -2.023 0.910) 2.218 8.010 ( 0.000 -1.335 3.488) 3.735 8.095 ( 0.000 -0.255 3.637) 3.646 8.097 ( 0.000 -4.365 3.114) 5.362 8.159 ( 0.000 -0.680 2.060) 2.169 8.199 ( 0.000 -1.497 -0.465) 1.568 8.209 ( 0.000 -3.873 6.199) 7.310 8.296 ( 0.000 -1.298 1.661) 2.108 8.324 ( 0.000 -3.663 2.202) 4.274 8.370 ( 0.000 -0.466 2.313) 2.360 8.383 ( 0.000 1.712 -0.736) 1.863 8.411 ( 0.000 -0.638 -0.057) 0.641 8.636 ( 0.000 1.054 -5.497) 5.597 8.722 ( 0.000 2.024 -4.826) 5.233 8.724 ( 0.000 -9.377 -0.531) 9.392 8.818 ( 0.000 0.524 -7.653) 7.671 8.943 ( 0.000 -13.948 -6.028) 15.195 8.947 ( 0.000 -9.184 -3.859) 9.962 9.199 ( 0.000 2.522 4.830) 5.449 9.221 ( 0.000 -1.923 -2.048) 2.809 9.324 ( 0.000 -3.074 -0.613) 3.134 9.329 ( 0.000 -14.061 -2.454) 14.274 9.442 ( 0.000 1.227 2.192) 2.513 9.595 ( 0.000 1.015 -2.444) 2.646 9.624 ( 0.000 -1.235 -2.193) 2.517 9.731 ( 0.000 -2.917 -0.661) 2.990 9.732 ( 0.000 -2.651 2.174) 3.428 9.894 ( 0.000 0.454 2.155) 2.202 10.448 ( 0.000 7.647 -5.468) 9.401 10.573 ( 0.000 2.328 -1.502) 2.770 10.624 ( 0.000 -1.703 0.033) 1.704 10.803 ( 0.000 -3.284 -4.614) 5.663 11.269 ( 0.000 5.328 4.054) 6.695 11.371 ( 0.000 3.891 1.472) 4.160 11.482 ( 0.000 8.110 6.873) 10.631 11.538 ( 0.000 6.817 5.096) 8.511 11.961 ( 0.000 -0.470 0.233) 0.524 11.962 ( 0.000 -0.197 0.380) 0.428 12.575 ( 0.000 -4.095 -0.404) 4.115 12.595 ( 0.000 -4.281 -1.010) 4.398 14.437 ( 0.000 0.366 0.721) 0.809 14.483 ( 0.000 -0.465 0.132) 0.483 14.674 ( 0.000 -3.389 -1.038) 3.544 14.849 ( 0.000 -7.486 -5.602) 9.350 15.024 ( 0.000 5.660 -1.607) 5.884 15.058 ( 0.000 5.710 -4.065) 7.009 15.143 ( 0.000 2.184 -0.842) 2.341 15.198 ( 0.000 3.897 -5.837) 7.018 15.869 ( 0.000 0.884 0.603) 1.070 15.882 ( 0.000 0.083 -0.876) 0.880 15.924 ( 0.000 0.445 2.037) 2.085 15.945 ( 0.000 -0.691 2.296) 2.398 16.179 ( 0.000 1.585 -1.300) 2.050 16.195 ( 0.000 2.273 -1.908) 2.967 16.236 ( 0.000 0.024 -2.464) 2.464 16.268 ( 0.000 1.029 -3.006) 3.177 16.560 ( 0.000 0.861 3.273) 3.384 16.650 ( 0.000 0.117 4.474) 4.475 16.677 ( 0.000 -0.425 1.326) 1.393 16.894 ( 0.000 -3.246 -3.980) 5.136 17.862 ( 0.000 -2.584 5.778) 6.330 17.881 ( 0.000 -2.103 3.565) 4.139 18.051 ( 0.000 -5.572 1.582) 5.793 18.053 ( 0.000 -8.375 3.259) 8.987 ======================= Grid point 46 (20/32) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -10.945 7.870 15.701) 20.694 1.204 ( 10.945 7.870 15.701) 20.694 1.367 ( -9.175 6.530 20.633) 23.506 1.367 ( 9.175 6.530 20.633) 23.506 1.779 ( -7.278 0.839 6.446) 9.758 1.779 ( 7.278 0.839 6.446) 9.758 1.948 ( -7.016 -5.150 9.960) 13.227 1.948 ( 7.016 -5.150 9.960) 13.227 2.202 ( -2.600 1.940 5.804) 6.649 2.202 ( 2.600 1.940 5.804) 6.649 2.284 ( -3.686 7.039 1.742) 8.134 2.284 ( 3.686 7.039 1.742) 8.134 2.425 ( -6.410 2.635 9.420) 11.695 2.425 ( 6.410 2.635 9.420) 11.695 2.496 ( -1.160 4.699 -2.387) 5.397 2.496 ( 1.160 4.699 -2.387) 5.397 2.608 ( -3.417 0.211 -0.172) 3.428 2.608 ( 3.417 0.211 -0.172) 3.428 2.682 ( -3.431 -1.711 2.991) 4.862 2.682 ( 3.431 -1.711 2.991) 4.862 2.772 ( -5.023 0.724 -1.652) 5.337 2.772 ( 5.023 0.724 -1.652) 5.337 2.797 ( -1.696 -2.585 -2.000) 3.682 2.797 ( 1.696 -2.585 -2.000) 3.682 2.879 ( -1.019 -0.026 0.063) 1.022 2.879 ( 1.019 -0.026 0.063) 1.022 2.956 ( -0.520 -0.309 -2.666) 2.734 2.956 ( 0.520 -0.309 -2.666) 2.734 2.986 ( -0.528 0.359 -1.298) 1.447 2.986 ( 0.528 0.359 -1.298) 1.447 3.037 ( -1.230 -2.563 0.464) 2.881 3.037 ( 1.230 -2.563 0.464) 2.881 3.101 ( -1.944 0.892 -1.182) 2.443 3.101 ( 1.944 0.892 -1.182) 2.443 3.184 ( -2.709 1.244 -1.426) 3.304 3.184 ( 2.709 1.244 -1.426) 3.304 3.234 ( -0.762 -3.301 -0.121) 3.390 3.234 ( 0.762 -3.301 -0.121) 3.390 3.285 ( -1.827 -1.003 -2.237) 3.058 3.285 ( 1.827 -1.003 -2.237) 3.058 3.330 ( -2.627 -0.733 2.777) 3.892 3.330 ( 2.627 -0.733 2.777) 3.892 3.429 ( -0.949 -0.579 0.338) 1.162 3.429 ( 0.949 -0.579 0.338) 1.162 3.505 ( -1.811 -2.632 -1.399) 3.488 3.505 ( 1.811 -2.632 -1.399) 3.488 3.549 ( -1.227 0.605 -1.483) 2.018 3.549 ( 1.227 0.605 -1.483) 2.018 3.629 ( -1.847 2.376 -1.471) 3.350 3.629 ( 1.847 2.376 -1.471) 3.350 3.707 ( -3.361 2.505 -0.372) 4.208 3.707 ( 3.361 2.505 -0.372) 4.208 3.775 ( -2.186 -0.151 -0.027) 2.191 3.775 ( 2.186 -0.151 -0.027) 2.191 3.829 ( -2.115 -0.977 0.654) 2.420 3.829 ( 2.115 -0.977 0.654) 2.420 3.898 ( -0.689 1.865 2.882) 3.501 3.898 ( 0.689 1.865 2.882) 3.501 3.965 ( -4.130 1.858 0.195) 4.533 3.965 ( 4.130 1.858 0.195) 4.533 4.028 ( -2.727 1.891 0.024) 3.319 4.028 ( 2.727 1.891 0.024) 3.319 4.095 ( -5.223 -2.473 -1.543) 5.981 4.095 ( 5.223 -2.473 -1.543) 5.981 4.137 ( -3.386 0.344 0.285) 3.416 4.137 ( 3.386 0.344 0.285) 3.416 4.190 ( -2.153 2.364 3.169) 4.502 4.190 ( 2.153 2.364 3.169) 4.502 4.286 ( -1.419 -1.683 -1.031) 2.431 4.286 ( 1.419 -1.683 -1.031) 2.431 4.326 ( -0.808 1.744 0.736) 2.058 4.326 ( 0.808 1.744 0.736) 2.058 4.386 ( -1.933 0.962 1.470) 2.612 4.386 ( 1.933 0.962 1.470) 2.612 4.430 ( -0.494 1.872 -1.386) 2.381 4.430 ( 0.494 1.872 -1.386) 2.381 4.509 ( -0.715 3.694 -1.582) 4.082 4.509 ( 0.715 3.694 -1.582) 4.082 4.539 ( -2.629 4.061 0.272) 4.845 4.539 ( 2.629 4.061 0.272) 4.845 4.641 ( -0.505 2.537 0.567) 2.648 4.641 ( 0.505 2.537 0.567) 2.648 4.727 ( -2.863 5.588 -4.022) 7.457 4.727 ( 2.863 5.588 -4.022) 7.457 4.782 ( -2.323 1.821 2.100) 3.623 4.782 ( 2.323 1.821 2.100) 3.623 4.906 ( -0.018 6.583 -6.401) 9.181 4.906 ( 0.018 6.583 -6.401) 9.181 4.962 ( -2.561 1.266 -0.323) 2.875 4.962 ( 2.561 1.266 -0.323) 2.875 5.053 ( -4.023 0.696 -0.026) 4.083 5.053 ( 4.023 0.696 -0.026) 4.083 5.124 ( -1.508 2.958 -1.163) 3.517 5.124 ( 1.508 2.958 -1.163) 3.517 5.268 ( -2.121 -1.176 -2.945) 3.815 5.268 ( 2.121 -1.176 -2.945) 3.815 5.321 ( -3.315 1.036 -3.796) 5.145 5.321 ( 3.315 1.036 -3.796) 5.145 5.395 ( -1.219 -1.592 -3.233) 3.804 5.395 ( 1.219 -1.592 -3.233) 3.804 5.458 ( -2.791 0.326 0.236) 2.820 5.458 ( 2.791 0.326 0.236) 2.820 5.524 ( -4.413 0.943 -1.614) 4.792 5.524 ( 4.413 0.943 -1.614) 4.792 5.561 ( -0.566 1.094 -1.280) 1.777 5.561 ( 0.566 1.094 -1.280) 1.777 5.636 ( -2.372 1.530 -1.378) 3.141 5.636 ( 2.372 1.530 -1.378) 3.141 5.699 ( -2.283 2.607 -1.157) 3.653 5.699 ( 2.283 2.607 -1.157) 3.653 5.773 ( -2.163 0.950 -1.319) 2.706 5.773 ( 2.163 0.950 -1.319) 2.706 5.834 ( -1.565 0.780 0.840) 1.940 5.834 ( 1.565 0.780 0.840) 1.940 5.961 ( -3.708 3.964 -6.427) 8.413 5.961 ( 3.708 3.964 -6.427) 8.413 6.052 ( -3.546 4.080 -0.623) 5.441 6.052 ( 3.546 4.080 -0.623) 5.441 6.104 ( -3.123 2.781 0.980) 4.295 6.104 ( 3.123 2.781 0.980) 4.295 6.129 ( -7.057 -2.186 1.553) 7.549 6.129 ( 7.057 -2.186 1.553) 7.549 6.207 ( -2.462 1.812 0.741) 3.146 6.207 ( 2.462 1.812 0.741) 3.146 6.314 ( -5.354 3.738 2.626) 7.038 6.314 ( 5.354 3.738 2.626) 7.038 6.519 ( -1.954 -2.179 0.734) 3.017 6.519 ( 1.954 -2.179 0.734) 3.017 6.590 ( -6.612 -1.814 0.533) 6.877 6.590 ( 6.612 -1.814 0.533) 6.877 6.655 ( -1.240 -1.542 -5.630) 5.968 6.655 ( 1.240 -1.542 -5.630) 5.968 6.816 ( -3.948 -0.517 0.324) 3.995 6.816 ( 3.948 -0.517 0.324) 3.995 6.869 ( -1.750 0.239 4.558) 4.888 6.869 ( 1.750 0.239 4.558) 4.888 6.966 ( -1.085 -2.457 -3.450) 4.372 6.966 ( 1.085 -2.457 -3.450) 4.372 7.170 ( -0.316 -10.703 0.915) 10.746 7.170 ( 0.316 -10.703 0.915) 10.746 7.223 ( -2.421 -2.057 1.390) 3.467 7.223 ( 2.421 -2.057 1.390) 3.467 7.285 ( -2.470 -3.377 1.689) 4.512 7.285 ( 2.470 -3.377 1.689) 4.512 7.349 ( -1.792 -3.795 -0.866) 4.285 7.349 ( 1.792 -3.795 -0.866) 4.285 7.528 ( -11.320 3.527 0.233) 11.859 7.528 ( 11.320 3.527 0.233) 11.859 7.713 ( -4.175 2.856 5.686) 7.611 7.713 ( 4.175 2.856 5.686) 7.611 7.792 ( -1.233 0.682 -0.839) 1.640 7.792 ( 1.233 0.682 -0.839) 1.640 8.020 ( -1.790 -2.440 3.805) 4.862 8.020 ( 1.790 -2.440 3.805) 4.862 8.083 ( -3.658 -0.962 3.672) 5.271 8.083 ( 3.658 -0.962 3.672) 5.271 8.177 ( -1.703 -1.811 1.381) 2.844 8.177 ( 1.703 -1.811 1.381) 2.844 8.260 ( -3.926 -3.191 4.098) 6.510 8.260 ( 3.926 -3.191 4.098) 6.510 8.322 ( -2.542 -0.211 0.205) 2.559 8.322 ( 2.542 -0.211 0.205) 2.559 8.428 ( -1.232 -1.416 0.770) 2.029 8.428 ( 1.232 -1.416 0.770) 2.029 8.656 ( -2.571 0.666 -1.740) 3.175 8.656 ( 2.571 0.666 -1.740) 3.175 8.813 ( -2.394 -2.240 -6.814) 7.562 8.813 ( 2.394 -2.240 -6.814) 7.562 8.918 ( -1.128 -9.309 -5.531) 10.887 8.918 ( 1.128 -9.309 -5.531) 10.887 9.219 ( -4.441 -7.594 0.076) 8.798 9.219 ( 4.441 -7.594 0.076) 8.798 9.367 ( -4.533 -2.224 2.553) 5.658 9.367 ( 4.533 -2.224 2.553) 5.658 9.452 ( -6.608 -2.320 0.969) 7.070 9.452 ( 6.608 -2.320 0.969) 7.070 9.642 ( -2.494 3.260 -5.057) 6.514 9.642 ( 2.494 3.260 -5.057) 6.514 9.871 ( -2.912 -3.664 1.917) 5.057 9.871 ( 2.912 -3.664 1.917) 5.057 10.489 ( -3.285 4.817 -2.690) 6.421 10.489 ( 3.285 4.817 -2.690) 6.421 10.735 ( -4.940 -2.291 -2.612) 6.039 10.735 ( 4.940 -2.291 -2.612) 6.039 11.313 ( -3.109 4.955 3.184) 6.660 11.313 ( 3.109 4.955 3.184) 6.660 11.517 ( -1.643 7.093 5.556) 9.159 11.517 ( 1.643 7.093 5.556) 9.159 11.963 ( -0.319 -0.386 0.073) 0.506 11.963 ( 0.319 -0.386 0.073) 0.506 12.585 ( -0.655 -4.200 -0.688) 4.306 12.585 ( 0.655 -4.200 -0.688) 4.306 14.460 ( -1.757 0.020 0.839) 1.947 14.460 ( 1.757 0.020 0.839) 1.947 14.768 ( -5.665 -6.018 -4.239) 9.288 14.768 ( 5.665 -6.018 -4.239) 9.288 15.042 ( -1.065 5.612 -2.970) 6.438 15.042 ( 1.065 5.612 -2.970) 6.438 15.167 ( -1.729 3.300 -3.200) 4.911 15.167 ( 1.729 3.300 -3.200) 4.911 15.880 ( -0.500 0.900 0.019) 1.030 15.880 ( 0.500 0.900 0.019) 1.030 15.932 ( -0.759 -0.572 2.015) 2.228 15.932 ( 0.759 -0.572 2.015) 2.228 16.185 ( -0.470 1.824 -1.568) 2.451 16.185 ( 0.470 1.824 -1.568) 2.451 16.253 ( -1.000 0.629 -2.747) 2.991 16.253 ( 1.000 0.629 -2.747) 2.991 16.579 ( -1.832 0.764 3.746) 4.239 16.579 ( 1.832 0.764 3.746) 4.239 16.807 ( -5.945 -2.014 -0.871) 6.337 16.807 ( 5.945 -2.014 -0.871) 6.337 17.874 ( -0.638 -2.351 4.847) 5.425 17.874 ( 0.638 -2.351 4.847) 5.425 18.050 ( -0.044 -6.805 2.323) 7.190 18.050 ( 0.044 -6.805 2.323) 7.190 ======================= Grid point 48 (21/32) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 11.291 9.705) 14.889 1.455 ( 0.000 12.953 13.304) 18.568 1.584 ( 0.000 -3.256 5.353) 6.266 1.618 ( 0.000 7.695 13.652) 15.671 1.705 ( 0.000 8.318 11.278) 14.013 1.765 ( 0.000 6.488 13.496) 14.975 1.956 ( 0.000 -7.563 1.502) 7.711 1.979 ( 0.000 2.242 4.570) 5.090 2.077 ( 0.000 -4.235 5.731) 7.125 2.077 ( 0.000 1.430 1.397) 1.999 2.287 ( 0.000 -6.948 1.662) 7.144 2.291 ( 0.000 -11.469 5.722) 12.817 2.476 ( 0.000 -2.824 -0.587) 2.884 2.499 ( 0.000 5.878 0.719) 5.922 2.501 ( 0.000 -1.963 -3.318) 3.856 2.536 ( 0.000 -11.028 1.989) 11.206 2.546 ( 0.000 1.226 -3.368) 3.585 2.611 ( 0.000 -6.318 -3.982) 7.469 2.624 ( 0.000 -3.959 -2.057) 4.461 2.675 ( 0.000 7.595 10.451) 12.920 2.696 ( 0.000 0.773 -4.766) 4.829 2.809 ( 0.000 -3.093 1.672) 3.516 2.834 ( 0.000 6.337 -8.560) 10.651 2.873 ( 0.000 -1.229 -0.671) 1.400 2.875 ( 0.000 0.078 -2.019) 2.020 2.933 ( 0.000 -0.564 4.955) 4.987 2.956 ( 0.000 -0.902 0.017) 0.902 2.962 ( 0.000 1.028 3.071) 3.238 2.997 ( 0.000 4.519 4.863) 6.638 3.023 ( 0.000 1.792 -7.681) 7.888 3.050 ( 0.000 2.287 -1.188) 2.577 3.068 ( 0.000 0.483 1.793) 1.857 3.083 ( 0.000 1.324 -2.632) 2.946 3.115 ( 0.000 1.406 -4.201) 4.430 3.132 ( 0.000 0.652 1.888) 1.997 3.142 ( 0.000 2.836 -2.134) 3.549 3.215 ( 0.000 -0.804 0.591) 0.998 3.222 ( 0.000 -2.897 -0.961) 3.053 3.242 ( 0.000 -2.777 -0.246) 2.788 3.305 ( 0.000 -0.719 -2.018) 2.143 3.331 ( 0.000 1.797 -0.647) 1.910 3.385 ( 0.000 0.657 1.332) 1.485 3.390 ( 0.000 2.094 -1.632) 2.655 3.439 ( 0.000 -1.144 -4.829) 4.962 3.445 ( 0.000 2.465 1.298) 2.786 3.514 ( 0.000 2.660 0.805) 2.779 3.598 ( 0.000 1.311 -0.719) 1.495 3.603 ( 0.000 -3.206 0.620) 3.266 3.641 ( 0.000 2.627 0.777) 2.740 3.664 ( 0.000 1.879 -0.692) 2.002 3.722 ( 0.000 1.807 0.697) 1.937 3.723 ( 0.000 3.471 0.650) 3.532 3.748 ( 0.000 2.207 -0.165) 2.213 3.807 ( 0.000 -2.227 -3.005) 3.741 3.828 ( 0.000 0.811 3.234) 3.334 3.869 ( 0.000 -0.872 -0.538) 1.025 3.911 ( 0.000 1.651 1.382) 2.153 3.924 ( 0.000 -0.191 1.720) 1.731 3.951 ( 0.000 1.628 3.051) 3.458 3.985 ( 0.000 0.082 -0.351) 0.360 4.010 ( 0.000 1.413 1.163) 1.830 4.020 ( 0.000 -3.132 3.460) 4.667 4.108 ( 0.000 0.566 2.076) 2.152 4.108 ( 0.000 2.933 1.944) 3.519 4.153 ( 0.000 -0.056 -0.486) 0.489 4.180 ( 0.000 -2.165 0.565) 2.238 4.226 ( 0.000 3.205 1.582) 3.574 4.254 ( 0.000 -2.039 -0.345) 2.068 4.272 ( 0.000 0.390 3.091) 3.115 4.275 ( 0.000 0.778 -0.414) 0.881 4.356 ( 0.000 0.576 1.960) 2.043 4.366 ( 0.000 2.361 3.493) 4.216 4.390 ( 0.000 5.508 -1.024) 5.603 4.429 ( 0.000 4.856 1.812) 5.184 4.484 ( 0.000 -0.155 3.624) 3.627 4.505 ( 0.000 2.643 2.776) 3.833 4.535 ( 0.000 5.271 0.790) 5.330 4.596 ( 0.000 2.295 0.595) 2.371 4.616 ( 0.000 0.515 -0.522) 0.733 4.653 ( 0.000 2.386 -0.087) 2.388 4.728 ( 0.000 4.427 4.083) 6.022 4.762 ( 0.000 7.703 -3.212) 8.346 4.784 ( 0.000 3.309 5.254) 6.209 4.845 ( 0.000 0.555 -3.474) 3.518 4.869 ( 0.000 9.730 -0.960) 9.778 4.909 ( 0.000 3.965 -1.407) 4.208 4.997 ( 0.000 10.343 -1.134) 10.405 5.019 ( 0.000 1.006 2.459) 2.656 5.020 ( 0.000 0.815 -3.844) 3.929 5.093 ( 0.000 6.149 -0.509) 6.170 5.113 ( 0.000 10.095 -2.665) 10.441 5.143 ( 0.000 -1.589 -6.121) 6.324 5.155 ( 0.000 8.153 0.427) 8.164 5.208 ( 0.000 -2.393 -0.147) 2.397 5.240 ( 0.000 0.333 -3.666) 3.681 5.261 ( 0.000 4.277 -5.776) 7.188 5.275 ( 0.000 0.370 -4.649) 4.664 5.303 ( 0.000 -2.818 -4.248) 5.098 5.409 ( 0.000 0.943 -1.381) 1.672 5.413 ( 0.000 0.004 -4.229) 4.229 5.463 ( 0.000 1.170 1.356) 1.791 5.478 ( 0.000 -0.370 -3.151) 3.172 5.523 ( 0.000 -1.064 -1.995) 2.261 5.525 ( 0.000 0.074 0.829) 0.832 5.597 ( 0.000 -1.981 -2.365) 3.085 5.627 ( 0.000 0.660 -0.862) 1.085 5.639 ( 0.000 1.653 0.353) 1.690 5.674 ( 0.000 3.054 -3.297) 4.494 5.676 ( 0.000 -0.507 -0.912) 1.044 5.754 ( 0.000 -3.111 -2.051) 3.726 5.775 ( 0.000 -2.715 0.618) 2.784 5.811 ( 0.000 -0.013 -0.954) 0.954 5.858 ( 0.000 -0.113 0.551) 0.563 5.872 ( 0.000 2.798 0.653) 2.873 5.902 ( 0.000 -1.816 3.019) 3.523 5.988 ( 0.000 3.249 -5.183) 6.117 6.055 ( 0.000 -0.698 -1.554) 1.704 6.086 ( 0.000 4.713 6.263) 7.838 6.141 ( 0.000 5.062 -4.237) 6.602 6.191 ( 0.000 5.582 -0.973) 5.666 6.221 ( 0.000 1.688 1.866) 2.517 6.223 ( 0.000 -0.869 3.518) 3.624 6.264 ( 0.000 0.417 0.997) 1.081 6.271 ( 0.000 -4.647 -0.751) 4.707 6.317 ( 0.000 5.469 0.708) 5.515 6.351 ( 0.000 -0.106 1.767) 1.770 6.386 ( 0.000 -3.262 5.560) 6.446 6.440 ( 0.000 -4.365 1.646) 4.665 6.526 ( 0.000 -1.213 -2.598) 2.867 6.587 ( 0.000 -3.829 -8.124) 8.981 6.642 ( 0.000 -3.552 -2.411) 4.293 6.677 ( 0.000 -3.014 -4.840) 5.702 6.687 ( 0.000 -3.455 4.566) 5.726 6.756 ( 0.000 -8.991 2.375) 9.300 6.793 ( 0.000 -7.061 3.690) 7.967 6.837 ( 0.000 -4.631 1.448) 4.852 6.903 ( 0.000 -2.883 1.810) 3.404 6.926 ( 0.000 1.912 3.635) 4.107 7.008 ( 0.000 -3.999 -1.078) 4.142 7.096 ( 0.000 -3.879 -3.066) 4.944 7.111 ( 0.000 0.760 -3.117) 3.208 7.150 ( 0.000 1.218 -6.902) 7.009 7.229 ( 0.000 0.590 -0.560) 0.814 7.244 ( 0.000 0.093 -6.053) 6.054 7.299 ( 0.000 1.800 -1.197) 2.162 7.373 ( 0.000 1.214 -3.492) 3.697 7.405 ( 0.000 0.973 -2.206) 2.411 7.676 ( 0.000 3.108 5.893) 6.663 7.769 ( 0.000 -1.304 1.106) 1.710 7.798 ( 0.000 -0.194 0.740) 0.765 7.818 ( 0.000 -3.982 -5.825) 7.056 7.872 ( 0.000 -1.693 7.178) 7.375 7.895 ( 0.000 0.620 8.345) 8.368 7.962 ( 0.000 -4.630 3.731) 5.946 7.969 ( 0.000 -2.239 2.447) 3.316 8.071 ( 0.000 -2.771 3.735) 4.650 8.148 ( 0.000 -1.210 4.268) 4.436 8.172 ( 0.000 0.485 1.169) 1.266 8.186 ( 0.000 0.734 1.273) 1.470 8.227 ( 0.000 -3.869 3.654) 5.321 8.314 ( 0.000 -3.519 0.685) 3.585 8.319 ( 0.000 2.394 -0.813) 2.528 8.363 ( 0.000 -1.075 0.662) 1.263 8.402 ( 0.000 -0.250 -1.047) 1.077 8.645 ( 0.000 0.533 -5.362) 5.388 8.652 ( 0.000 0.417 0.135) 0.438 8.717 ( 0.000 -4.045 -3.904) 5.622 8.768 ( 0.000 -0.677 -5.991) 6.029 8.778 ( 0.000 -2.635 -3.784) 4.611 8.838 ( 0.000 -0.546 -7.066) 7.087 9.021 ( 0.000 -10.074 1.036) 10.127 9.232 ( 0.000 -7.206 -1.382) 7.337 9.254 ( 0.000 2.155 2.431) 3.249 9.318 ( 0.000 4.667 5.271) 7.040 9.422 ( 0.000 -7.428 11.960) 14.079 9.440 ( 0.000 -0.868 6.005) 6.067 9.518 ( 0.000 -6.086 2.505) 6.581 9.645 ( 0.000 -4.824 2.638) 5.498 9.674 ( 0.000 -4.210 -5.272) 6.747 9.774 ( 0.000 -10.171 6.288) 11.958 10.587 ( 0.000 5.683 -7.605) 9.494 10.635 ( 0.000 2.806 -6.478) 7.060 10.645 ( 0.000 2.432 -8.336) 8.684 10.759 ( 0.000 -1.740 -8.301) 8.481 11.418 ( 0.000 7.942 4.257) 9.012 11.483 ( 0.000 6.153 2.893) 6.799 11.640 ( 0.000 3.459 6.221) 7.118 11.656 ( 0.000 1.035 5.500) 5.597 12.014 ( 0.000 6.905 -0.534) 6.926 12.020 ( 0.000 7.782 -0.745) 7.818 12.445 ( 0.000 -8.086 -0.443) 8.099 12.461 ( 0.000 -8.170 -0.833) 8.212 14.456 ( 0.000 1.518 0.451) 1.583 14.494 ( 0.000 1.558 -0.211) 1.572 14.594 ( 0.000 -3.620 0.153) 3.623 14.695 ( 0.000 -6.555 -2.300) 6.946 15.142 ( 0.000 4.732 -3.978) 6.182 15.161 ( 0.000 3.399 -5.979) 6.878 15.189 ( 0.000 1.668 -3.193) 3.603 15.244 ( 0.000 0.359 -6.735) 6.745 15.882 ( 0.000 -0.043 0.427) 0.429 15.883 ( 0.000 0.236 1.363) 1.383 15.938 ( 0.000 0.709 1.934) 2.060 15.941 ( 0.000 0.298 2.715) 2.732 16.213 ( 0.000 1.395 -2.331) 2.717 16.235 ( 0.000 -0.048 -3.074) 3.074 16.242 ( 0.000 1.799 -4.301) 4.662 16.284 ( 0.000 0.203 -3.928) 3.933 16.597 ( 0.000 2.707 3.241) 4.223 16.652 ( 0.000 0.158 4.417) 4.420 16.664 ( 0.000 -0.695 2.248) 2.353 16.799 ( 0.000 -5.298 -0.907) 5.375 17.809 ( 0.000 -1.773 4.646) 4.973 17.830 ( 0.000 -2.265 3.250) 3.962 17.893 ( 0.000 -5.410 4.627) 7.119 17.920 ( 0.000 -5.677 2.314) 6.131 ======================= Grid point 49 (22/32) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -6.193 10.059 11.795) 16.693 1.403 ( 6.193 10.059 11.795) 16.693 1.581 ( -4.681 9.620 11.891) 15.995 1.581 ( 4.681 9.620 11.891) 15.995 1.766 ( -3.310 1.273 5.560) 6.595 1.766 ( 3.310 1.273 5.560) 6.595 1.878 ( -2.762 -0.836 7.706) 8.228 1.878 ( 2.762 -0.836 7.705) 8.228 2.137 ( -5.929 -5.304 3.371) 8.640 2.137 ( 5.929 -5.304 3.371) 8.640 2.318 ( -7.015 -4.345 2.504) 8.623 2.318 ( 7.015 -4.345 2.504) 8.623 2.438 ( -3.403 -7.082 0.934) 7.913 2.438 ( 3.403 -7.082 0.934) 7.913 2.527 ( -1.287 -1.459 -3.264) 3.800 2.527 ( 1.287 -1.459 -3.264) 3.800 2.611 ( -3.534 -0.909 -0.839) 3.744 2.611 ( 3.534 -0.909 -0.839) 3.744 2.676 ( -0.060 -2.034 -0.448) 2.084 2.676 ( 0.060 -2.034 -0.448) 2.084 2.732 ( -3.771 3.307 -2.471) 5.591 2.732 ( 3.771 3.307 -2.471) 5.591 2.822 ( -1.405 1.951 0.272) 2.420 2.822 ( 1.405 1.951 0.272) 2.420 2.925 ( -0.846 0.876 4.606) 4.764 2.925 ( 0.846 0.876 4.606) 4.764 2.942 ( -0.348 0.926 0.491) 1.104 2.942 ( 0.348 0.926 0.491) 1.104 3.011 ( -2.024 3.904 2.763) 5.194 3.011 ( 2.024 3.904 2.763) 5.194 3.043 ( -2.109 2.573 -3.626) 4.921 3.043 ( 2.109 2.573 -3.626) 4.921 3.111 ( -0.142 -3.382 -0.680) 3.452 3.111 ( 0.142 -3.382 -0.680) 3.452 3.140 ( -2.202 0.864 -1.670) 2.896 3.140 ( 2.202 0.864 -1.670) 2.896 3.225 ( -2.741 0.935 -1.923) 3.476 3.225 ( 2.741 0.935 -1.923) 3.476 3.252 ( -1.751 -1.181 -1.465) 2.571 3.252 ( 1.751 -1.181 -1.465) 2.571 3.343 ( -1.718 0.918 -1.050) 2.213 3.343 ( 1.718 0.918 -1.050) 2.213 3.422 ( -2.043 0.805 -2.495) 3.324 3.422 ( 2.043 0.805 -2.495) 3.324 3.506 ( -1.285 1.007 -0.316) 1.663 3.506 ( 1.285 1.007 -0.316) 1.663 3.578 ( -0.682 -0.731 0.267) 1.035 3.578 ( 0.682 -0.731 0.267) 1.035 3.664 ( -1.623 2.893 -0.021) 3.318 3.664 ( 1.623 2.893 -0.021) 3.318 3.750 ( -0.797 0.509 0.939) 1.332 3.750 ( 0.797 0.509 0.939) 1.332 3.779 ( -4.069 0.672 -0.726) 4.187 3.779 ( 4.069 0.672 -0.726) 4.187 3.817 ( -1.200 -0.354 0.985) 1.592 3.817 ( 1.200 -0.354 0.985) 1.592 3.911 ( -0.584 -2.253 1.702) 2.883 3.911 ( 0.584 -2.253 1.702) 2.883 3.972 ( -2.201 0.859 1.767) 2.950 3.972 ( 2.201 0.859 1.767) 2.950 4.041 ( -1.752 1.633 0.876) 2.550 4.041 ( 1.752 1.633 0.876) 2.550 4.098 ( -2.767 2.743 1.366) 4.128 4.098 ( 2.767 2.743 1.366) 4.128 4.176 ( -3.127 -0.221 1.387) 3.428 4.176 ( 3.127 -0.221 1.387) 3.428 4.226 ( -0.389 1.739 1.000) 2.043 4.226 ( 0.389 1.739 1.000) 2.043 4.284 ( -2.694 1.497 1.301) 3.345 4.284 ( 2.694 1.497 1.301) 3.345 4.337 ( -2.876 0.218 3.020) 4.176 4.337 ( 2.876 0.218 3.020) 4.176 4.441 ( -2.459 3.865 1.175) 4.729 4.441 ( 2.459 3.865 1.175) 4.729 4.486 ( -4.173 3.219 -0.997) 5.364 4.486 ( 4.173 3.219 -0.997) 5.364 4.585 ( -2.719 2.249 0.437) 3.556 4.585 ( 2.719 2.249 0.437) 3.556 4.612 ( -2.010 0.525 2.870) 3.543 4.612 ( 2.010 0.525 2.870) 3.543 4.729 ( -1.558 3.728 3.824) 5.563 4.729 ( 1.558 3.728 3.824) 5.563 4.840 ( -2.240 8.349 -1.887) 8.847 4.840 ( 2.240 8.349 -1.887) 8.847 4.910 ( -1.605 2.790 -2.608) 4.143 4.910 ( 1.605 2.790 -2.608) 4.143 4.982 ( -0.445 5.265 -0.840) 5.350 4.982 ( 0.445 5.265 -0.840) 5.350 5.067 ( -2.022 4.483 -0.679) 4.965 5.067 ( 2.022 4.483 -0.679) 4.965 5.120 ( -1.508 6.239 -3.129) 7.140 5.120 ( 1.508 6.239 -3.129) 7.140 5.184 ( -3.230 3.327 -2.965) 5.504 5.184 ( 3.230 3.327 -2.965) 5.504 5.226 ( -0.525 -1.300 -1.608) 2.133 5.226 ( 0.525 -1.300 -1.608) 2.133 5.333 ( -1.564 0.225 -3.053) 3.438 5.333 ( 1.564 0.225 -3.053) 3.438 5.377 ( -1.967 -0.802 -5.742) 6.123 5.377 ( 1.967 -0.802 -5.742) 6.123 5.455 ( -1.848 -0.287 -0.378) 1.908 5.455 ( 1.848 -0.287 -0.378) 1.908 5.543 ( -1.052 0.653 -2.123) 2.457 5.543 ( 1.052 0.653 -2.123) 2.457 5.590 ( -2.617 0.369 0.348) 2.666 5.590 ( 2.617 0.369 0.348) 2.666 5.687 ( -0.471 3.052 -0.736) 3.175 5.687 ( 0.471 3.052 -0.736) 3.175 5.714 ( -2.984 -2.691 0.318) 4.031 5.714 ( 2.984 -2.691 0.318) 4.031 5.794 ( -0.611 0.802 -0.947) 1.383 5.794 ( 0.611 0.802 -0.947) 1.383 5.816 ( -2.508 -1.327 -1.602) 3.259 5.816 ( 2.508 -1.327 -1.602) 3.259 6.009 ( -2.473 -2.933 -0.221) 3.843 6.009 ( 2.473 -2.933 -0.221) 3.843 6.060 ( -5.353 2.691 -0.098) 5.992 6.060 ( 5.353 2.691 -0.098) 5.992 6.149 ( -3.867 3.692 4.346) 6.890 6.149 ( 3.867 3.692 4.346) 6.890 6.226 ( -1.548 3.351 1.827) 4.118 6.226 ( 1.548 3.351 1.827) 4.118 6.262 ( -1.606 2.269 -4.897) 5.631 6.262 ( 1.606 2.269 -4.897) 5.631 6.348 ( -1.946 0.268 2.624) 3.278 6.348 ( 1.946 0.268 2.624) 3.278 6.431 ( -0.937 -4.813 3.433) 5.986 6.431 ( 0.937 -4.813 3.433) 5.986 6.549 ( -3.611 -1.625 -2.309) 4.584 6.549 ( 3.611 -1.625 -2.309) 4.584 6.607 ( -2.256 -2.391 -5.521) 6.426 6.607 ( 2.256 -2.391 -5.521) 6.426 6.752 ( -1.892 -6.346 3.621) 7.547 6.752 ( 1.892 -6.346 3.621) 7.547 6.828 ( -1.411 -6.956 0.519) 7.116 6.828 ( 1.411 -6.956 0.519) 7.116 6.908 ( -2.722 0.690 1.726) 3.296 6.908 ( 2.722 0.690 1.726) 3.296 6.996 ( -1.962 -2.946 -2.758) 4.487 6.996 ( 1.962 -2.946 -2.758) 4.487 7.186 ( -1.183 -1.615 -2.657) 3.326 7.186 ( 1.183 -1.615 -2.657) 3.326 7.232 ( -2.433 -0.024 -0.191) 2.441 7.232 ( 2.433 -0.024 -0.191) 2.441 7.337 ( -2.727 2.307 -3.596) 5.069 7.337 ( 2.727 2.307 -3.596) 5.069 7.553 ( -10.681 -2.196 -4.282) 11.715 7.553 ( 10.681 -2.196 -4.282) 11.715 7.768 ( -3.953 1.714 3.760) 5.718 7.768 ( 3.953 1.714 3.760) 5.718 7.803 ( -0.862 0.838 1.871) 2.224 7.803 ( 0.862 0.838 1.871) 2.224 7.958 ( -2.713 -2.454 4.887) 6.105 7.958 ( 2.713 -2.454 4.887) 6.105 8.037 ( -2.388 -3.347 3.862) 5.641 8.037 ( 2.388 -3.347 3.862) 5.641 8.159 ( -0.456 -0.130 2.347) 2.395 8.159 ( 0.456 -0.130 2.347) 2.395 8.198 ( -1.433 -1.779 4.009) 4.614 8.198 ( 1.433 -1.779 4.009) 4.614 8.319 ( -2.349 -0.795 0.511) 2.532 8.319 ( 2.349 -0.795 0.511) 2.532 8.388 ( -2.016 -0.580 -1.234) 2.434 8.388 ( 2.016 -0.580 -1.234) 2.434 8.650 ( -0.676 0.245 -2.012) 2.137 8.650 ( 0.676 0.245 -2.012) 2.137 8.745 ( -1.841 -5.614 -5.242) 7.898 8.745 ( 1.841 -5.614 -5.242) 7.898 8.803 ( -2.007 0.617 -5.287) 5.688 8.803 ( 2.007 0.617 -5.287) 5.688 9.088 ( -5.305 -6.306 -0.588) 8.262 9.088 ( 5.305 -6.306 -0.588) 8.262 9.359 ( -3.383 1.053 4.431) 5.674 9.359 ( 3.383 1.053 4.431) 5.674 9.393 ( -3.151 -1.964 8.654) 9.417 9.393 ( 3.151 -1.964 8.654) 9.417 9.584 ( -5.443 -5.525 -2.074) 8.028 9.584 ( 5.443 -5.525 -2.074) 8.028 9.728 ( -3.640 -8.400 4.728) 10.303 9.728 ( 3.640 -8.400 4.728) 10.303 10.597 ( -0.939 4.909 -7.372) 8.907 10.597 ( 0.939 4.909 -7.372) 8.907 10.717 ( -3.042 -0.332 -7.966) 8.534 10.717 ( 3.042 -0.332 -7.966) 8.534 11.449 ( -2.085 7.176 3.684) 8.331 11.449 ( 2.085 7.176 3.684) 8.331 11.649 ( -0.485 2.090 5.740) 6.128 11.649 ( 0.485 2.090 5.740) 6.128 12.018 ( -0.227 7.326 -0.718) 7.364 12.018 ( 0.227 7.326 -0.718) 7.364 12.453 ( -0.541 -8.121 -0.622) 8.163 12.453 ( 0.541 -8.121 -0.622) 8.163 14.478 ( -1.473 1.856 0.493) 2.420 14.478 ( 1.473 1.856 0.493) 2.420 14.642 ( -3.397 -5.485 -1.522) 6.629 14.642 ( 3.397 -5.485 -1.522) 6.629 15.149 ( -0.558 4.020 -4.358) 5.956 15.149 ( 0.558 4.020 -4.358) 5.956 15.218 ( -1.689 1.058 -5.609) 5.952 15.218 ( 1.689 1.058 -5.609) 5.952 15.901 ( -0.248 0.885 0.788) 1.210 15.901 ( 0.248 0.885 0.788) 1.210 15.922 ( -0.321 -0.346 2.503) 2.547 15.922 ( 0.321 -0.346 2.503) 2.547 16.223 ( -0.789 1.613 -3.263) 3.724 16.223 ( 0.789 1.613 -3.263) 3.724 16.264 ( -1.372 0.094 -3.568) 3.824 16.264 ( 1.372 0.094 -3.568) 3.824 16.609 ( -1.107 2.065 3.707) 4.385 16.609 ( 1.107 2.065 3.707) 4.385 16.746 ( -3.661 -3.537 0.906) 5.171 16.746 ( 3.661 -3.537 0.906) 5.171 17.824 ( -0.756 -1.720 4.214) 4.614 17.824 ( 0.756 -1.720 4.214) 4.614 17.903 ( -0.971 -5.838 3.152) 6.705 17.903 ( 0.971 -5.838 3.152) 6.705 ======================= Grid point 51 (23/32) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.000 -4.930 4.671) 6.791 1.478 ( 0.000 4.930 4.671) 6.791 1.730 ( 0.000 -7.439 6.925) 10.163 1.730 ( 0.000 7.439 6.925) 10.163 1.837 ( 0.000 -0.389 8.568) 8.577 1.837 ( 0.000 0.389 8.568) 8.577 1.928 ( 0.000 -10.028 8.026) 12.844 1.928 ( 0.000 10.028 8.026) 12.845 2.042 ( 0.000 -7.729 5.402) 9.430 2.042 ( 0.000 7.729 5.402) 9.430 2.195 ( 0.000 -0.155 6.863) 6.864 2.195 ( 0.000 0.155 6.863) 6.864 2.327 ( 0.000 -0.336 0.220) 0.402 2.327 ( 0.000 0.336 0.220) 0.402 2.485 ( 0.000 -2.524 -3.083) 3.984 2.485 ( 0.000 2.524 -3.083) 3.984 2.575 ( 0.000 -2.290 -4.300) 4.872 2.575 ( 0.000 2.290 -4.300) 4.872 2.676 ( 0.000 -5.543 -0.998) 5.632 2.676 ( 0.000 5.543 -0.998) 5.632 2.746 ( 0.000 -0.426 -0.206) 0.473 2.746 ( 0.000 0.426 -0.206) 0.473 2.853 ( 0.000 -0.075 -1.187) 1.189 2.853 ( 0.000 0.075 -1.187) 1.189 2.912 ( 0.000 -0.079 0.299) 0.309 2.912 ( 0.000 0.079 0.299) 0.309 2.986 ( 0.000 -2.988 -3.552) 4.642 2.986 ( 0.000 2.988 -3.552) 4.642 3.027 ( 0.000 -0.955 -3.782) 3.901 3.027 ( 0.000 0.955 -3.782) 3.901 3.103 ( 0.000 -1.293 -0.517) 1.393 3.103 ( 0.000 1.293 -0.517) 1.393 3.121 ( 0.000 -2.146 -2.157) 3.042 3.121 ( 0.000 2.146 -2.157) 3.042 3.146 ( 0.000 -3.007 0.456) 3.042 3.146 ( 0.000 3.007 0.456) 3.042 3.202 ( 0.000 -1.003 0.076) 1.006 3.202 ( 0.000 1.003 0.076) 1.006 3.271 ( 0.000 -2.468 -0.025) 2.468 3.271 ( 0.000 2.468 -0.025) 2.468 3.355 ( 0.000 -2.431 -1.448) 2.829 3.355 ( 0.000 2.431 -1.448) 2.829 3.427 ( 0.000 -0.142 -3.769) 3.772 3.427 ( 0.000 0.142 -3.769) 3.772 3.513 ( 0.000 -4.451 1.014) 4.565 3.513 ( 0.000 4.451 1.014) 4.565 3.595 ( 0.000 -2.030 2.225) 3.012 3.595 ( 0.000 2.030 2.225) 3.012 3.654 ( 0.000 -0.382 2.198) 2.231 3.654 ( 0.000 0.382 2.198) 2.231 3.767 ( 0.000 -1.468 -1.541) 2.128 3.767 ( 0.000 1.468 -1.541) 2.128 3.801 ( 0.000 -2.173 -2.374) 3.218 3.801 ( 0.000 2.173 -2.374) 3.218 3.825 ( 0.000 -2.216 -0.097) 2.218 3.825 ( 0.000 2.216 -0.097) 2.218 3.946 ( 0.000 -1.149 3.781) 3.952 3.946 ( 0.000 1.149 3.781) 3.952 3.967 ( 0.000 -0.105 2.629) 2.631 3.967 ( 0.000 0.105 2.629) 2.631 4.002 ( 0.000 -1.333 0.688) 1.500 4.002 ( 0.000 1.333 0.688) 1.500 4.128 ( 0.000 -0.731 1.314) 1.504 4.128 ( 0.000 0.731 1.314) 1.504 4.169 ( 0.000 -1.853 0.789) 2.014 4.169 ( 0.000 1.853 0.789) 2.014 4.238 ( 0.000 -2.929 1.057) 3.114 4.238 ( 0.000 2.929 1.057) 3.114 4.284 ( 0.000 -0.811 3.799) 3.885 4.284 ( 0.000 0.811 3.799) 3.885 4.393 ( 0.000 -1.745 3.380) 3.804 4.393 ( 0.000 1.745 3.380) 3.804 4.486 ( 0.000 -3.476 3.855) 5.191 4.486 ( 0.000 3.476 3.855) 5.191 4.498 ( 0.000 -0.120 1.774) 1.778 4.498 ( 0.000 0.120 1.774) 1.778 4.616 ( 0.000 -0.695 1.989) 2.107 4.616 ( 0.000 0.695 1.989) 2.107 4.637 ( 0.000 -4.337 1.132) 4.482 4.637 ( 0.000 4.337 1.132) 4.482 4.766 ( 0.000 -0.214 1.038) 1.060 4.766 ( 0.000 0.214 1.038) 1.060 4.877 ( 0.000 -4.191 5.327) 6.778 4.877 ( 0.000 4.191 5.327) 6.778 4.982 ( 0.000 -0.946 -2.668) 2.830 4.982 ( 0.000 0.946 -2.668) 2.830 5.032 ( 0.000 -0.304 -1.599) 1.627 5.032 ( 0.000 0.304 -1.599) 1.627 5.116 ( 0.000 -0.952 -2.729) 2.890 5.116 ( 0.000 0.952 -2.729) 2.890 5.180 ( 0.000 -6.800 -3.435) 7.619 5.180 ( 0.000 6.800 -3.435) 7.619 5.239 ( 0.000 -1.199 -3.352) 3.560 5.239 ( 0.000 1.199 -3.352) 3.560 5.305 ( 0.000 -2.038 -0.647) 2.138 5.305 ( 0.000 2.038 -0.647) 2.138 5.341 ( 0.000 -2.880 -0.903) 3.018 5.341 ( 0.000 2.880 -0.903) 3.018 5.416 ( 0.000 -0.808 -5.706) 5.762 5.416 ( 0.000 0.808 -5.706) 5.762 5.470 ( 0.000 -3.071 -1.398) 3.375 5.470 ( 0.000 3.071 -1.398) 3.375 5.504 ( 0.000 -3.188 -5.570) 6.418 5.504 ( 0.000 3.188 -5.570) 6.418 5.602 ( 0.000 -7.783 1.048) 7.853 5.602 ( 0.000 7.783 1.048) 7.853 5.637 ( 0.000 -1.091 -1.391) 1.768 5.637 ( 0.000 1.091 -1.391) 1.768 5.676 ( 0.000 -2.357 -0.783) 2.484 5.676 ( 0.000 2.357 -0.783) 2.484 5.782 ( 0.000 -6.256 -1.384) 6.407 5.782 ( 0.000 6.256 -1.384) 6.407 5.836 ( 0.000 -1.279 -0.308) 1.315 5.836 ( 0.000 1.279 -0.308) 1.315 5.983 ( 0.000 -5.365 1.891) 5.688 5.983 ( 0.000 5.365 1.891) 5.688 6.088 ( 0.000 -4.793 0.975) 4.891 6.088 ( 0.000 4.793 0.975) 4.891 6.212 ( 0.000 -1.035 3.807) 3.945 6.212 ( 0.000 1.035 3.807) 3.945 6.238 ( 0.000 -0.083 0.187) 0.205 6.238 ( 0.000 0.083 0.187) 0.205 6.247 ( 0.000 -3.010 -2.389) 3.843 6.247 ( 0.000 3.010 -2.389) 3.843 6.354 ( 0.000 -0.196 3.776) 3.781 6.354 ( 0.000 0.196 3.776) 3.781 6.379 ( 0.000 -2.504 6.069) 6.566 6.379 ( 0.000 2.504 6.069) 6.566 6.521 ( 0.000 -2.039 -7.149) 7.434 6.521 ( 0.000 2.039 -7.149) 7.434 6.621 ( 0.000 -0.786 -4.977) 5.039 6.621 ( 0.000 0.786 -4.977) 5.039 6.660 ( 0.000 -3.301 2.580) 4.190 6.660 ( 0.000 3.301 2.580) 4.190 6.685 ( 0.000 -4.173 2.808) 5.030 6.685 ( 0.000 4.173 2.808) 5.030 6.948 ( 0.000 -2.828 0.781) 2.934 6.948 ( 0.000 2.828 0.781) 2.934 6.995 ( 0.000 -4.499 1.105) 4.633 6.995 ( 0.000 4.499 1.105) 4.633 7.142 ( 0.000 -1.582 -6.280) 6.476 7.142 ( 0.000 1.582 -6.280) 6.476 7.265 ( 0.000 -0.151 -5.578) 5.580 7.265 ( 0.000 0.151 -5.578) 5.580 7.359 ( 0.000 -2.434 -4.710) 5.302 7.359 ( 0.000 2.434 -4.710) 5.302 7.526 ( 0.000 -11.270 -4.874) 12.279 7.526 ( 0.000 11.270 -4.874) 12.279 7.760 ( 0.000 -3.525 4.965) 6.089 7.760 ( 0.000 3.525 4.965) 6.089 7.838 ( 0.000 -1.267 5.874) 6.010 7.838 ( 0.000 1.267 5.874) 6.010 7.926 ( 0.000 -0.962 0.719) 1.201 7.926 ( 0.000 0.962 0.719) 1.201 7.974 ( 0.000 -5.043 5.994) 7.833 7.974 ( 0.000 5.043 5.994) 7.833 8.153 ( 0.000 -1.359 1.829) 2.279 8.153 ( 0.000 1.359 1.829) 2.279 8.198 ( 0.000 -0.123 2.670) 2.673 8.198 ( 0.000 0.123 2.670) 2.673 8.301 ( 0.000 -2.288 -1.162) 2.566 8.301 ( 0.000 2.288 -1.162) 2.566 8.397 ( 0.000 -2.028 -1.553) 2.554 8.397 ( 0.000 2.028 -1.553) 2.554 8.659 ( 0.000 -0.321 -1.285) 1.325 8.659 ( 0.000 0.321 -1.285) 1.325 8.687 ( 0.000 -0.493 -4.630) 4.656 8.687 ( 0.000 0.493 -4.630) 4.656 8.857 ( 0.000 -1.082 -4.125) 4.265 8.857 ( 0.000 1.082 -4.125) 4.265 8.952 ( 0.000 -10.158 1.492) 10.267 8.952 ( 0.000 10.158 1.492) 10.267 9.336 ( 0.000 -4.850 8.445) 9.738 9.336 ( 0.000 4.850 8.445) 9.738 9.416 ( 0.000 -1.827 8.814) 9.001 9.416 ( 0.000 1.827 8.814) 9.001 9.524 ( 0.000 -7.830 4.784) 9.175 9.524 ( 0.000 7.830 4.784) 9.175 9.607 ( 0.000 -0.637 -2.157) 2.249 9.607 ( 0.000 0.637 -2.157) 2.249 10.671 ( 0.000 -0.153 -9.809) 9.810 10.671 ( 0.000 0.153 -9.809) 9.810 10.698 ( 0.000 -4.035 -9.530) 10.349 10.698 ( 0.000 4.035 -9.530) 10.349 11.580 ( 0.000 -6.154 4.598) 7.682 11.580 ( 0.000 6.154 4.598) 7.682 11.609 ( 0.000 -4.426 4.704) 6.459 11.609 ( 0.000 4.426 4.704) 6.459 12.229 ( 0.000 -7.497 -0.481) 7.512 12.229 ( 0.000 7.497 -0.481) 7.512 12.252 ( 0.000 -7.570 -0.603) 7.594 12.252 ( 0.000 7.570 -0.603) 7.594 14.500 ( 0.000 -2.247 -0.164) 2.253 14.500 ( 0.000 2.247 -0.164) 2.253 14.580 ( 0.000 -3.693 -0.183) 3.698 14.580 ( 0.000 3.693 -0.183) 3.698 15.202 ( 0.000 -0.372 -5.332) 5.345 15.202 ( 0.000 0.372 -5.332) 5.345 15.220 ( 0.000 -2.294 -5.489) 5.949 15.220 ( 0.000 2.294 -5.489) 5.949 15.883 ( 0.000 -0.090 1.412) 1.415 15.883 ( 0.000 0.090 1.412) 1.415 15.947 ( 0.000 -0.001 2.211) 2.211 15.947 ( 0.000 0.001 2.211) 2.211 16.232 ( 0.000 -0.399 -3.120) 3.145 16.232 ( 0.000 0.399 -3.120) 3.145 16.273 ( 0.000 -1.130 -4.434) 4.576 16.273 ( 0.000 1.130 -4.434) 4.576 16.650 ( 0.000 -0.779 3.342) 3.432 16.650 ( 0.000 0.779 3.342) 3.432 16.687 ( 0.000 -4.493 2.218) 5.011 16.687 ( 0.000 4.493 2.218) 5.011 17.798 ( 0.000 -0.599 3.549) 3.600 17.798 ( 0.000 0.599 3.549) 3.600 17.843 ( 0.000 -0.898 3.353) 3.472 17.843 ( 0.000 0.898 3.353) 3.472 ======================= Grid point 53 (24/32) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -7.567 -5.684 5.867) 11.135 1.585 ( 7.390 -5.625 5.867) 10.986 1.585 ( -7.390 5.626 5.867) 10.986 1.585 ( 7.567 5.684 5.867) 11.135 1.905 ( -3.799 -4.355 7.560) 9.516 1.905 ( 3.798 -4.355 7.560) 9.515 1.905 ( -3.798 4.355 7.560) 9.515 1.905 ( 3.799 4.355 7.560) 9.516 2.095 ( -4.849 -11.392 6.411) 13.942 2.095 ( 4.848 -11.392 6.411) 13.942 2.095 ( -4.848 11.392 6.411) 13.942 2.095 ( 4.849 11.392 6.410) 13.942 2.417 ( -4.437 -5.266 -0.904) 6.945 2.417 ( 4.221 -5.221 -0.904) 6.774 2.417 ( -4.221 5.221 -0.904) 6.774 2.417 ( 4.437 5.266 -0.904) 6.945 2.639 ( -4.159 -1.554 -2.903) 5.305 2.639 ( -2.797 -0.215 -2.903) 4.037 2.639 ( 2.797 0.215 -2.903) 4.037 2.639 ( 4.159 1.554 -2.903) 5.305 2.805 ( -4.316 -2.701 -2.116) 5.514 2.805 ( 4.016 -2.583 -2.116) 5.222 2.805 ( -4.016 2.583 -2.116) 5.222 2.805 ( 4.316 2.701 -2.116) 5.514 2.932 ( -2.859 -0.872 1.084) 3.179 2.932 ( -2.313 0.231 1.084) 2.564 2.932 ( 2.313 -0.231 1.084) 2.564 2.932 ( 2.859 0.872 1.084) 3.179 3.052 ( -2.123 -1.518 -3.095) 4.048 3.052 ( 1.910 -1.446 -3.095) 3.914 3.052 ( -1.910 1.446 -3.095) 3.914 3.052 ( 2.123 1.518 -3.095) 4.048 3.149 ( -1.332 -2.136 -0.148) 2.522 3.149 ( 1.328 -2.135 -0.148) 2.519 3.149 ( -1.328 2.135 -0.148) 2.519 3.149 ( 1.332 2.136 -0.148) 2.522 3.246 ( -2.055 -1.220 -1.045) 2.608 3.246 ( 1.798 -1.113 -1.045) 2.358 3.246 ( -1.798 1.113 -1.045) 2.358 3.246 ( 2.055 1.220 -1.045) 2.608 3.385 ( -2.777 -3.747 -1.909) 5.039 3.385 ( 2.733 -3.738 -1.909) 5.009 3.385 ( -2.733 3.738 -1.909) 5.009 3.385 ( 2.777 3.747 -1.909) 5.039 3.544 ( -3.101 -2.513 1.328) 4.207 3.544 ( 2.330 -2.295 1.328) 3.530 3.544 ( -2.330 2.295 1.328) 3.530 3.544 ( 3.101 2.513 1.328) 4.207 3.722 ( -3.695 -2.815 -0.176) 4.648 3.722 ( 3.573 -2.776 -0.176) 4.528 3.722 ( -3.573 2.776 -0.176) 4.528 3.722 ( 3.695 2.815 -0.176) 4.648 3.799 ( -1.108 -1.940 0.172) 2.241 3.799 ( 0.717 -1.893 0.172) 2.032 3.799 ( -0.717 1.893 0.172) 2.032 3.799 ( 1.108 1.940 0.172) 2.241 3.934 ( -1.020 -3.341 0.861) 3.597 3.934 ( 1.017 -3.340 0.861) 3.596 3.934 ( -1.017 3.340 0.861) 3.596 3.934 ( 1.020 3.341 0.861) 3.597 4.094 ( -2.014 -2.398 2.360) 3.921 4.094 ( -0.050 -2.176 2.360) 3.211 4.094 ( 0.050 2.176 2.360) 3.211 4.094 ( 2.014 2.398 2.360) 3.921 4.220 ( -2.464 -3.120 0.537) 4.012 4.220 ( 1.997 -3.036 0.537) 3.673 4.220 ( -1.997 3.036 0.537) 3.673 4.220 ( 2.464 3.120 0.537) 4.012 4.325 ( -3.895 -2.143 3.482) 5.647 4.325 ( 2.347 -1.476 3.482) 4.451 4.325 ( -2.347 1.476 3.482) 4.451 4.325 ( 3.895 2.143 3.482) 5.647 4.518 ( -1.078 -3.504 2.815) 4.622 4.518 ( 1.078 -3.504 2.815) 4.622 4.518 ( -1.078 3.504 2.815) 4.622 4.518 ( 1.078 3.504 2.815) 4.622 4.603 ( -1.204 -3.543 1.991) 4.238 4.603 ( 1.144 -3.538 1.991) 4.218 4.603 ( -1.144 3.538 1.991) 4.218 4.603 ( 1.204 3.543 1.991) 4.238 4.822 ( -3.171 -4.219 2.031) 5.655 4.822 ( 3.114 -4.209 2.031) 5.616 4.822 ( -3.114 4.209 2.031) 5.616 4.822 ( 3.171 4.219 2.031) 5.655 5.016 ( -1.158 -3.022 -1.084) 3.413 5.016 ( 0.708 -2.987 -1.084) 3.255 5.016 ( -0.708 2.987 -1.084) 3.255 5.016 ( 1.158 3.022 -1.084) 3.413 5.146 ( -2.442 -3.057 -3.539) 5.276 5.146 ( 1.728 -2.933 -3.539) 4.910 5.146 ( -1.728 2.933 -3.539) 4.910 5.146 ( 2.442 3.057 -3.539) 5.276 5.282 ( -1.813 -4.789 -0.149) 5.123 5.282 ( 1.511 -4.762 -0.149) 4.999 5.282 ( -1.511 4.762 -0.149) 4.999 5.282 ( 1.813 4.789 -0.149) 5.123 5.346 ( -1.958 -2.456 -4.438) 5.437 5.346 ( 0.075 -2.253 -4.438) 4.978 5.346 ( -0.075 2.253 -4.438) 4.978 5.346 ( 1.958 2.456 -4.438) 5.437 5.508 ( -1.247 -6.292 -4.814) 8.020 5.508 ( 1.218 -6.291 -4.814) 8.014 5.508 ( -1.218 6.291 -4.814) 8.014 5.508 ( 1.247 6.292 -4.814) 8.020 5.593 ( -1.259 -5.023 1.165) 5.308 5.593 ( 1.175 -5.018 1.165) 5.283 5.593 ( -1.175 5.018 1.165) 5.283 5.593 ( 1.259 5.023 1.165) 5.308 5.751 ( -3.113 -2.221 -1.706) 4.187 5.751 ( 1.909 -1.849 -1.706) 3.158 5.751 ( -1.909 1.849 -1.706) 3.158 5.751 ( 3.113 2.221 -1.706) 4.187 5.889 ( -3.927 -5.832 1.177) 7.129 5.889 ( 3.923 -5.831 1.177) 7.126 5.889 ( -3.923 5.831 1.177) 7.126 5.889 ( 3.927 5.832 1.177) 7.129 6.160 ( -2.941 -4.510 1.438) 5.573 6.160 ( 2.775 -4.484 1.438) 5.465 6.160 ( -2.775 4.484 1.438) 5.465 6.160 ( 2.941 4.510 1.438) 5.573 6.249 ( -0.608 -0.949 0.689) 1.321 6.249 ( 0.398 -0.921 0.689) 1.217 6.249 ( -0.398 0.921 0.689) 1.217 6.249 ( 0.608 0.949 0.689) 1.321 6.379 ( -0.719 -1.622 3.814) 4.207 6.379 ( 0.089 -1.582 3.814) 4.130 6.379 ( -0.089 1.582 3.814) 4.130 6.379 ( 0.719 1.622 3.814) 4.207 6.552 ( -2.842 -2.308 -5.029) 6.221 6.552 ( 1.657 -1.999 -5.029) 5.660 6.552 ( -1.657 1.999 -5.029) 5.660 6.552 ( 2.842 2.308 -5.029) 6.221 6.690 ( -0.374 -2.802 1.390) 3.150 6.690 ( 0.349 -2.801 1.390) 3.147 6.690 ( -0.349 2.801 1.390) 3.147 6.690 ( 0.374 2.802 1.390) 3.150 6.953 ( -1.072 -2.420 0.579) 2.709 6.953 ( 0.831 -2.396 0.579) 2.601 6.953 ( -0.831 2.396 0.579) 2.601 6.953 ( 1.072 2.420 0.579) 2.709 7.209 ( -2.996 -1.996 -3.703) 5.165 7.209 ( -1.630 -1.551 -3.703) 4.333 7.209 ( 1.630 1.551 -3.703) 4.333 7.209 ( 2.996 1.996 -3.703) 5.165 7.438 ( -4.818 -6.534 -5.977) 10.081 7.438 ( 3.913 -6.381 -5.977) 9.579 7.438 ( -3.913 6.381 -5.977) 9.579 7.438 ( 4.818 6.534 -5.977) 10.081 7.802 ( -2.617 -1.318 3.612) 4.651 7.802 ( -0.256 -0.200 3.612) 3.626 7.802 ( 0.256 0.200 3.612) 3.626 7.802 ( 2.617 1.318 3.612) 4.651 7.960 ( -3.085 -2.852 4.442) 6.114 7.960 ( 3.084 -2.851 4.442) 6.113 7.960 ( -3.084 2.851 4.442) 6.113 7.960 ( 3.085 2.852 4.442) 6.114 8.168 ( -0.776 -1.028 3.444) 3.677 8.168 ( -0.598 -0.998 3.444) 3.636 8.168 ( 0.598 0.998 3.444) 3.636 8.168 ( 0.776 1.028 3.444) 3.677 8.350 ( -2.882 -3.231 -1.994) 4.767 8.350 ( 2.880 -3.231 -1.994) 4.766 8.350 ( -2.880 3.231 -1.994) 4.766 8.350 ( 2.882 3.231 -1.994) 4.767 8.676 ( -0.560 -2.020 -2.968) 3.634 8.676 ( 0.297 -2.006 -2.968) 3.595 8.676 ( -0.297 2.006 -2.968) 3.595 8.676 ( 0.560 2.020 -2.968) 3.634 8.898 ( -2.235 -8.801 -1.528) 9.208 8.898 ( 1.542 -8.764 -1.528) 9.029 8.898 ( -1.542 8.764 -1.528) 9.029 8.898 ( 2.235 8.801 -1.528) 9.208 9.386 ( -2.498 -1.544 9.594) 10.033 9.386 ( 2.490 -1.540 9.594) 10.031 9.386 ( -2.490 1.540 9.594) 10.031 9.386 ( 2.498 1.544 9.594) 10.033 9.562 ( -1.836 -5.061 0.547) 5.411 9.562 ( 0.719 -4.990 0.547) 5.071 9.562 ( -0.719 4.990 0.547) 5.071 9.562 ( 1.836 5.061 0.547) 5.411 10.684 ( -0.857 -2.938 -9.683) 10.155 10.684 ( 0.845 -2.937 -9.683) 10.154 10.684 ( -0.845 2.937 -9.683) 10.154 10.684 ( 0.857 2.938 -9.683) 10.155 11.594 ( -0.914 -5.708 4.645) 7.416 11.594 ( 0.894 -5.708 4.645) 7.413 11.594 ( -0.894 5.708 4.645) 7.413 11.594 ( 0.914 5.708 4.645) 7.416 12.241 ( -0.528 -11.273 -0.551) 11.298 12.241 ( 0.499 -11.272 -0.551) 11.297 12.241 ( -0.499 11.272 -0.551) 11.297 12.241 ( 0.528 11.273 -0.551) 11.298 14.540 ( -2.265 -3.844 -0.193) 4.466 14.540 ( 1.565 -3.756 -0.193) 4.073 14.540 ( -1.565 3.756 -0.193) 4.073 14.540 ( 2.265 3.844 -0.193) 4.466 15.210 ( -0.588 -1.666 -5.414) 5.695 15.210 ( 0.567 -1.664 -5.414) 5.692 15.210 ( -0.567 1.664 -5.414) 5.692 15.210 ( 0.588 1.666 -5.414) 5.695 15.915 ( -1.941 -0.264 1.848) 2.693 15.915 ( -1.873 -0.062 1.848) 2.632 15.915 ( 1.873 0.062 1.848) 2.632 15.915 ( 1.941 0.264 1.848) 2.693 16.253 ( -1.238 -1.042 -3.790) 4.120 16.253 ( 0.510 -0.876 -3.790) 3.923 16.253 ( -0.510 0.876 -3.790) 3.923 16.253 ( 1.238 1.042 -3.790) 4.120 16.668 ( -1.138 -3.392 2.793) 4.539 16.668 ( 1.075 -3.387 2.793) 4.520 16.668 ( -1.075 3.387 2.793) 4.520 16.668 ( 1.138 3.392 2.793) 4.539 17.821 ( -1.004 -1.679 3.441) 3.958 17.821 ( 0.061 -1.603 3.441) 3.796 17.821 ( -0.061 1.603 3.441) 3.796 17.821 ( 1.004 1.679 3.441) 3.958 ======================= Grid point 63 (25/32) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.000 0.000 17.906) 17.906 1.629 ( 0.000 0.000 -8.589) 8.589 1.634 ( 0.000 0.000 18.681) 18.681 1.806 ( 0.000 0.000 10.683) 10.683 1.818 ( 0.000 0.000 3.631) 3.631 1.845 ( 0.000 0.000 14.340) 14.340 2.039 ( 0.000 0.000 10.445) 10.445 2.111 ( 0.000 0.000 -10.364) 10.364 2.124 ( 0.000 0.000 -9.760) 9.760 2.213 ( 0.000 0.000 -5.608) 5.608 2.245 ( 0.000 0.000 8.403) 8.403 2.403 ( 0.000 0.000 -0.688) 0.688 2.436 ( 0.000 0.000 4.122) 4.122 2.467 ( 0.000 0.000 -2.956) 2.956 2.508 ( 0.000 0.000 5.974) 5.974 2.540 ( 0.000 0.000 1.577) 1.577 2.616 ( 0.000 0.000 -3.853) 3.853 2.620 ( 0.000 0.000 -6.029) 6.029 2.675 ( 0.000 0.000 -5.334) 5.334 2.710 ( 0.000 0.000 -8.060) 8.060 2.722 ( 0.000 0.000 2.280) 2.280 2.751 ( 0.000 0.000 21.964) 21.964 2.824 ( 0.000 0.000 6.330) 6.330 2.853 ( 0.000 0.000 -2.409) 2.409 2.856 ( 0.000 0.000 1.405) 1.405 2.881 ( 0.000 0.000 -3.447) 3.447 2.902 ( 0.000 0.000 5.893) 5.893 2.998 ( 0.000 0.000 2.665) 2.665 2.999 ( 0.000 0.000 4.056) 4.056 3.017 ( 0.000 0.000 -4.784) 4.784 3.051 ( 0.000 0.000 0.985) 0.985 3.069 ( 0.000 0.000 -0.703) 0.703 3.093 ( 0.000 0.000 -3.606) 3.606 3.100 ( 0.000 0.000 -3.368) 3.368 3.125 ( 0.000 0.000 4.656) 4.656 3.187 ( 0.000 0.000 -2.404) 2.404 3.198 ( 0.000 0.000 0.748) 0.748 3.229 ( 0.000 0.000 8.601) 8.601 3.253 ( 0.000 0.000 -2.856) 2.856 3.364 ( 0.000 0.000 4.501) 4.501 3.375 ( 0.000 0.000 -4.646) 4.646 3.417 ( 0.000 0.000 2.028) 2.028 3.432 ( 0.000 0.000 3.719) 3.719 3.453 ( 0.000 0.000 -6.573) 6.573 3.495 ( 0.000 0.000 -2.149) 2.149 3.495 ( 0.000 0.000 0.668) 0.668 3.516 ( 0.000 0.000 -3.062) 3.062 3.526 ( 0.000 0.000 -1.734) 1.734 3.578 ( 0.000 0.000 -4.042) 4.042 3.602 ( 0.000 0.000 -5.030) 5.030 3.693 ( 0.000 0.000 4.266) 4.266 3.734 ( 0.000 0.000 0.899) 0.899 3.783 ( 0.000 0.000 -0.702) 0.702 3.788 ( 0.000 0.000 -2.166) 2.166 3.789 ( 0.000 0.000 -1.530) 1.530 3.840 ( 0.000 0.000 -6.164) 6.164 3.866 ( 0.000 0.000 14.136) 14.136 3.871 ( 0.000 0.000 1.476) 1.476 3.894 ( 0.000 0.000 0.644) 0.644 3.906 ( 0.000 0.000 -2.183) 2.183 3.990 ( 0.000 0.000 0.743) 0.743 4.006 ( 0.000 0.000 3.274) 3.274 4.066 ( 0.000 0.000 1.509) 1.509 4.124 ( 0.000 0.000 0.330) 0.330 4.134 ( 0.000 0.000 -0.900) 0.900 4.186 ( 0.000 0.000 -4.710) 4.710 4.216 ( 0.000 0.000 -4.122) 4.122 4.219 ( 0.000 0.000 4.655) 4.655 4.229 ( 0.000 0.000 -7.314) 7.314 4.293 ( 0.000 0.000 -0.086) 0.086 4.297 ( 0.000 0.000 -0.317) 0.317 4.337 ( 0.000 0.000 2.560) 2.560 4.346 ( 0.000 0.000 -10.377) 10.377 4.347 ( 0.000 0.000 2.620) 2.620 4.362 ( 0.000 0.000 -0.852) 0.852 4.386 ( 0.000 0.000 -1.436) 1.436 4.451 ( 0.000 0.000 -0.073) 0.073 4.460 ( 0.000 0.000 1.228) 1.228 4.472 ( 0.000 0.000 -1.506) 1.506 4.510 ( 0.000 0.000 -1.337) 1.337 4.522 ( 0.000 0.000 4.269) 4.269 4.594 ( 0.000 0.000 -1.757) 1.757 4.684 ( 0.000 0.000 2.123) 2.123 4.706 ( 0.000 0.000 -1.050) 1.050 4.729 ( 0.000 0.000 1.593) 1.593 4.731 ( 0.000 0.000 -1.237) 1.237 4.743 ( 0.000 0.000 -2.817) 2.817 4.786 ( 0.000 0.000 -3.989) 3.989 4.927 ( 0.000 0.000 1.195) 1.195 4.971 ( 0.000 0.000 -3.114) 3.114 5.015 ( 0.000 0.000 6.632) 6.632 5.089 ( 0.000 0.000 5.160) 5.160 5.123 ( 0.000 0.000 -3.924) 3.924 5.149 ( 0.000 0.000 -0.140) 0.140 5.157 ( 0.000 0.000 3.219) 3.219 5.254 ( 0.000 0.000 1.027) 1.027 5.264 ( 0.000 0.000 -5.615) 5.615 5.282 ( 0.000 0.000 -0.546) 0.546 5.340 ( 0.000 0.000 -4.848) 4.848 5.341 ( 0.000 0.000 -5.199) 5.199 5.429 ( 0.000 0.000 3.347) 3.347 5.456 ( 0.000 0.000 0.197) 0.197 5.481 ( 0.000 0.000 5.382) 5.382 5.504 ( 0.000 0.000 -1.191) 1.191 5.535 ( 0.000 0.000 -3.917) 3.917 5.559 ( 0.000 0.000 2.259) 2.259 5.594 ( 0.000 0.000 -5.024) 5.024 5.616 ( 0.000 0.000 -3.098) 3.098 5.644 ( 0.000 0.000 0.674) 0.674 5.666 ( 0.000 0.000 -1.171) 1.171 5.676 ( 0.000 0.000 1.617) 1.617 5.706 ( 0.000 0.000 -1.574) 1.574 5.817 ( 0.000 0.000 -0.507) 0.507 5.832 ( 0.000 0.000 2.727) 2.727 5.839 ( 0.000 0.000 -4.871) 4.871 5.848 ( 0.000 0.000 -5.272) 5.272 5.863 ( 0.000 0.000 -4.691) 4.691 5.885 ( 0.000 0.000 -2.344) 2.344 6.048 ( 0.000 0.000 1.293) 1.293 6.067 ( 0.000 0.000 -0.387) 0.387 6.087 ( 0.000 0.000 8.299) 8.299 6.243 ( 0.000 0.000 1.144) 1.144 6.267 ( 0.000 0.000 5.065) 5.065 6.291 ( 0.000 0.000 -4.985) 4.985 6.348 ( 0.000 0.000 -2.051) 2.051 6.354 ( 0.000 0.000 -2.686) 2.686 6.486 ( 0.000 0.000 7.567) 7.567 6.502 ( 0.000 0.000 1.063) 1.063 6.527 ( 0.000 0.000 -1.601) 1.601 6.621 ( 0.000 0.000 2.370) 2.370 6.641 ( 0.000 0.000 -5.950) 5.950 6.684 ( 0.000 0.000 -0.920) 0.920 6.716 ( 0.000 0.000 -4.017) 4.017 6.737 ( 0.000 0.000 -7.964) 7.964 6.997 ( 0.000 0.000 1.561) 1.561 7.026 ( 0.000 0.000 -1.452) 1.452 7.038 ( 0.000 0.000 7.046) 7.046 7.075 ( 0.000 0.000 4.192) 4.192 7.083 ( 0.000 0.000 3.281) 3.281 7.132 ( 0.000 0.000 -1.107) 1.107 7.358 ( 0.000 0.000 1.008) 1.008 7.359 ( 0.000 0.000 0.144) 0.144 7.364 ( 0.000 0.000 0.945) 0.945 7.371 ( 0.000 0.000 1.023) 1.023 7.433 ( 0.000 0.000 1.550) 1.550 7.440 ( 0.000 0.000 0.315) 0.315 7.473 ( 0.000 0.000 7.610) 7.610 7.591 ( 0.000 0.000 -3.233) 3.233 7.716 ( 0.000 0.000 -1.156) 1.156 7.741 ( 0.000 0.000 -0.911) 0.911 7.837 ( 0.000 0.000 4.278) 4.278 7.896 ( 0.000 0.000 -0.399) 0.399 8.027 ( 0.000 0.000 3.390) 3.390 8.058 ( 0.000 0.000 0.471) 0.471 8.160 ( 0.000 0.000 1.711) 1.711 8.162 ( 0.000 0.000 1.297) 1.297 8.210 ( 0.000 0.000 2.201) 2.201 8.241 ( 0.000 0.000 1.846) 1.846 8.281 ( 0.000 0.000 -3.924) 3.924 8.290 ( 0.000 0.000 -2.819) 2.819 8.410 ( 0.000 0.000 1.444) 1.444 8.421 ( 0.000 0.000 3.667) 3.667 8.439 ( 0.000 0.000 2.678) 2.678 8.464 ( 0.000 0.000 1.416) 1.416 8.597 ( 0.000 0.000 4.212) 4.212 8.628 ( 0.000 0.000 -0.547) 0.547 8.663 ( 0.000 0.000 -5.065) 5.065 8.767 ( 0.000 0.000 -7.661) 7.661 8.980 ( 0.000 0.000 -2.423) 2.423 9.011 ( 0.000 0.000 -5.374) 5.374 9.255 ( 0.000 0.000 -0.581) 0.581 9.271 ( 0.000 0.000 -1.398) 1.398 9.307 ( 0.000 0.000 -0.227) 0.227 9.322 ( 0.000 0.000 -1.726) 1.726 9.474 ( 0.000 0.000 -1.136) 1.136 9.490 ( 0.000 0.000 -2.668) 2.668 9.550 ( 0.000 0.000 4.719) 4.719 9.679 ( 0.000 0.000 -6.434) 6.434 9.793 ( 0.000 0.000 1.380) 1.380 9.815 ( 0.000 0.000 -0.886) 0.886 10.393 ( 0.000 0.000 6.379) 6.379 10.516 ( 0.000 0.000 -4.216) 4.216 10.727 ( 0.000 0.000 2.344) 2.344 10.776 ( 0.000 0.000 -3.064) 3.064 11.291 ( 0.000 0.000 3.317) 3.317 11.335 ( 0.000 0.000 -0.783) 0.783 11.499 ( 0.000 0.000 3.374) 3.374 11.522 ( 0.000 0.000 1.117) 1.117 11.979 ( 0.000 0.000 0.294) 0.294 11.981 ( 0.000 0.000 0.179) 0.179 12.615 ( 0.000 0.000 0.019) 0.019 12.622 ( 0.000 0.000 -0.678) 0.678 14.459 ( 0.000 0.000 1.438) 1.438 14.486 ( 0.000 0.000 -0.930) 0.930 14.703 ( 0.000 0.000 1.339) 1.339 14.786 ( 0.000 0.000 -6.832) 6.832 14.955 ( 0.000 0.000 0.191) 0.191 14.956 ( 0.000 0.000 0.108) 0.108 15.123 ( 0.000 0.000 0.246) 0.246 15.125 ( 0.000 0.000 0.075) 0.075 15.859 ( 0.000 0.000 -0.052) 0.052 15.861 ( 0.000 0.000 -0.428) 0.428 15.953 ( 0.000 0.000 1.082) 1.082 15.966 ( 0.000 0.000 -0.141) 0.141 16.165 ( 0.000 0.000 0.952) 0.952 16.175 ( 0.000 0.000 0.812) 0.812 16.194 ( 0.000 0.000 -1.772) 1.772 16.205 ( 0.000 0.000 -2.056) 2.056 16.619 ( 0.000 0.000 3.092) 3.092 16.671 ( 0.000 0.000 -1.721) 1.721 16.738 ( 0.000 0.000 4.273) 4.273 16.828 ( 0.000 0.000 -4.540) 4.540 17.971 ( 0.000 0.000 2.095) 2.095 17.978 ( 0.000 0.000 1.756) 1.756 18.144 ( 0.000 0.000 1.152) 1.152 18.161 ( 0.000 0.000 -0.506) 0.506 ======================= Grid point 64 (26/32) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -8.815 0.000 12.297) 15.130 1.437 ( 8.815 0.000 12.297) 15.130 1.708 ( -5.472 0.000 14.035) 15.064 1.708 ( 5.472 0.000 14.035) 15.064 1.872 ( -7.435 0.000 -1.620) 7.609 1.872 ( 7.435 0.000 -1.620) 7.609 2.086 ( -9.452 0.000 1.338) 9.546 2.086 ( 9.452 0.000 1.337) 9.546 2.141 ( -5.131 0.000 -0.620) 5.168 2.141 ( 5.131 0.000 -0.620) 5.168 2.356 ( -4.158 0.000 -3.582) 5.488 2.356 ( 4.158 0.000 -3.582) 5.488 2.444 ( -0.747 0.000 -0.129) 0.758 2.444 ( 0.747 0.000 -0.129) 0.758 2.582 ( -3.888 0.000 2.554) 4.652 2.582 ( 3.888 0.000 2.554) 4.652 2.633 ( -2.538 0.000 6.936) 7.385 2.633 ( 2.538 0.000 6.936) 7.385 2.662 ( -3.204 0.000 -1.723) 3.638 2.662 ( 3.204 0.000 -1.723) 3.638 2.705 ( -6.278 0.000 -1.468) 6.447 2.705 ( 6.278 0.000 -1.468) 6.447 2.826 ( -4.483 0.000 -4.406) 6.286 2.826 ( 4.483 0.000 -4.406) 6.286 2.893 ( -6.995 0.000 14.397) 16.007 2.893 ( 6.995 0.000 14.397) 16.007 2.936 ( -5.671 0.000 0.657) 5.709 2.936 ( 5.671 0.000 0.657) 5.709 2.986 ( -1.512 0.000 -3.228) 3.565 2.986 ( 1.512 0.000 -3.228) 3.565 3.050 ( -2.744 0.000 1.073) 2.946 3.050 ( 2.744 0.000 1.073) 2.946 3.098 ( -1.198 0.000 -1.457) 1.886 3.098 ( 1.198 0.000 -1.457) 1.886 3.138 ( -2.247 0.000 -3.692) 4.322 3.138 ( 2.247 0.000 -3.692) 4.322 3.216 ( -0.942 0.000 2.429) 2.605 3.216 ( 0.942 0.000 2.429) 2.605 3.325 ( -4.066 0.000 3.095) 5.110 3.325 ( 4.066 0.000 3.095) 5.110 3.448 ( -3.061 0.000 -3.279) 4.486 3.448 ( 3.061 0.000 -3.279) 4.486 3.452 ( -2.892 0.000 0.014) 2.892 3.452 ( 2.892 0.000 0.014) 2.892 3.506 ( -1.625 0.000 -0.168) 1.633 3.506 ( 1.625 0.000 -0.168) 1.633 3.506 ( -1.342 0.000 -1.811) 2.254 3.506 ( 1.342 0.000 -1.811) 2.254 3.565 ( -1.311 0.000 -4.593) 4.776 3.565 ( 1.311 0.000 -4.593) 4.776 3.650 ( -0.958 0.000 3.762) 3.882 3.650 ( 0.958 0.000 3.762) 3.882 3.812 ( -0.433 0.000 -1.750) 1.803 3.812 ( 0.433 0.000 -1.750) 1.803 3.865 ( -1.573 0.000 -0.488) 1.647 3.865 ( 1.573 0.000 -0.488) 1.647 3.874 ( -0.826 0.000 1.813) 1.993 3.874 ( 0.826 0.000 1.813) 1.993 3.904 ( -4.226 0.000 1.139) 4.376 3.904 ( 4.226 0.000 1.139) 4.376 3.989 ( -4.715 0.000 0.017) 4.715 3.989 ( 4.715 0.000 0.017) 4.715 4.080 ( -2.161 0.000 -2.390) 3.222 4.080 ( 2.161 0.000 -2.390) 3.222 4.145 ( -0.584 0.000 0.179) 0.611 4.145 ( 0.584 0.000 0.179) 0.611 4.181 ( -0.593 0.000 0.081) 0.599 4.181 ( 0.593 0.000 0.081) 0.599 4.286 ( -0.263 0.000 1.477) 1.500 4.286 ( 0.263 0.000 1.477) 1.500 4.310 ( -2.222 0.000 -5.656) 6.076 4.310 ( 2.222 0.000 -5.656) 6.076 4.321 ( -2.464 0.000 -1.420) 2.844 4.321 ( 2.464 0.000 -1.420) 2.844 4.393 ( -1.557 0.000 -0.412) 1.611 4.393 ( 1.557 0.000 -0.412) 1.611 4.485 ( -2.840 0.000 4.271) 5.129 4.485 ( 2.840 0.000 4.271) 5.129 4.542 ( -4.591 0.000 1.022) 4.703 4.542 ( 4.591 0.000 1.022) 4.703 4.557 ( -3.124 0.000 -1.970) 3.694 4.557 ( 3.124 0.000 -1.970) 3.694 4.630 ( -3.363 0.000 -0.476) 3.396 4.630 ( 3.363 0.000 -0.476) 3.396 4.732 ( -0.375 0.000 -1.932) 1.968 4.732 ( 0.375 0.000 -1.932) 1.968 4.758 ( -1.322 0.000 -2.643) 2.955 4.758 ( 1.322 0.000 -2.643) 2.955 4.952 ( -1.405 0.000 -0.151) 1.413 4.952 ( 1.405 0.000 -0.151) 1.413 5.102 ( -4.037 0.000 4.995) 6.422 5.102 ( 4.037 0.000 4.995) 6.422 5.110 ( -1.795 0.000 1.535) 2.361 5.110 ( 1.795 0.000 1.535) 2.361 5.197 ( -4.456 0.000 -3.662) 5.768 5.197 ( 4.456 0.000 -3.662) 5.768 5.260 ( -0.984 0.000 -0.135) 0.994 5.260 ( 0.984 0.000 -0.135) 0.994 5.356 ( -0.602 0.000 -4.352) 4.393 5.356 ( 0.602 0.000 -4.352) 4.393 5.444 ( -3.162 0.000 -0.484) 3.199 5.444 ( 3.162 0.000 -0.484) 3.199 5.501 ( -1.873 0.000 0.380) 1.911 5.501 ( 1.873 0.000 0.380) 1.911 5.531 ( -3.546 0.000 1.432) 3.824 5.531 ( 3.546 0.000 1.432) 3.824 5.595 ( -2.920 0.000 -1.241) 3.173 5.595 ( 2.920 0.000 -1.241) 3.173 5.655 ( -0.831 0.000 -1.475) 1.693 5.655 ( 0.831 0.000 -1.475) 1.693 5.686 ( -0.920 0.000 -1.189) 1.503 5.686 ( 0.920 0.000 -1.189) 1.503 5.812 ( -0.675 0.000 -1.336) 1.497 5.812 ( 0.675 0.000 -1.336) 1.497 5.864 ( -0.484 0.000 -5.800) 5.820 5.864 ( 0.484 0.000 -5.800) 5.820 5.879 ( -2.369 0.000 2.135) 3.189 5.879 ( 2.369 0.000 2.135) 3.189 6.114 ( -5.341 0.000 -2.320) 5.824 6.114 ( 5.341 0.000 -2.320) 5.824 6.128 ( -3.181 0.000 1.286) 3.431 6.128 ( 3.181 0.000 1.286) 3.431 6.256 ( -5.160 0.000 0.441) 5.179 6.256 ( 5.160 0.000 0.441) 5.179 6.368 ( -5.530 0.000 7.788) 9.552 6.368 ( 5.530 0.000 7.788) 9.552 6.545 ( -0.418 0.000 -0.167) 0.450 6.545 ( 0.418 0.000 -0.167) 0.450 6.551 ( -6.420 0.000 -5.673) 8.567 6.551 ( 6.420 0.000 -5.673) 8.567 6.589 ( -3.585 0.000 -1.956) 4.084 6.589 ( 3.585 0.000 -1.956) 4.084 6.754 ( -2.657 0.000 -1.532) 3.067 6.754 ( 2.657 0.000 -1.532) 3.067 6.891 ( -2.780 0.000 -1.829) 3.327 6.891 ( 2.780 0.000 -1.829) 3.327 7.065 ( -1.429 0.000 5.256) 5.447 7.065 ( 1.429 0.000 5.256) 5.447 7.345 ( -6.424 0.000 4.792) 8.015 7.345 ( 6.424 0.000 4.792) 8.015 7.358 ( -0.131 0.000 0.058) 0.143 7.358 ( 0.131 0.000 0.058) 0.143 7.368 ( -0.304 0.000 1.560) 1.589 7.368 ( 0.304 0.000 1.560) 1.589 7.436 ( -0.248 0.000 0.853) 0.888 7.436 ( 0.248 0.000 0.853) 0.888 7.447 ( -11.861 0.000 -1.592) 11.967 7.447 ( 11.861 0.000 -1.592) 11.967 7.701 ( -1.376 0.000 -1.142) 1.788 7.701 ( 1.376 0.000 -1.142) 1.788 7.829 ( -1.800 0.000 3.198) 3.669 7.829 ( 1.800 0.000 3.198) 3.669 8.078 ( -0.408 0.000 0.801) 0.899 8.078 ( 0.408 0.000 0.801) 0.899 8.146 ( -1.064 0.000 1.835) 2.121 8.146 ( 1.064 0.000 1.835) 2.121 8.224 ( -0.977 0.000 1.730) 1.987 8.224 ( 0.977 0.000 1.730) 1.987 8.287 ( -0.278 0.000 -3.108) 3.120 8.287 ( 0.278 0.000 -3.108) 3.120 8.409 ( -0.285 0.000 2.910) 2.924 8.409 ( 0.285 0.000 2.910) 2.924 8.498 ( -3.374 0.000 4.996) 6.029 8.498 ( 3.374 0.000 4.996) 6.029 8.608 ( -4.990 0.000 -2.557) 5.607 8.608 ( 4.990 0.000 -2.557) 5.607 8.666 ( -1.439 0.000 -5.969) 6.140 8.666 ( 1.439 0.000 -5.969) 6.140 9.020 ( -2.114 0.000 -2.164) 3.026 9.020 ( 2.114 0.000 -2.164) 3.026 9.314 ( -0.493 0.000 -0.903) 1.028 9.314 ( 0.493 0.000 -0.903) 1.028 9.317 ( -0.843 0.000 -3.177) 3.287 9.317 ( 0.843 0.000 -3.177) 3.287 9.482 ( -0.518 0.000 -1.975) 2.041 9.482 ( 0.518 0.000 -1.975) 2.041 9.541 ( -4.422 0.000 2.908) 5.293 9.541 ( 4.422 0.000 2.908) 5.293 9.814 ( -1.078 0.000 -2.254) 2.499 9.814 ( 1.078 0.000 -2.254) 2.499 10.468 ( -3.920 0.000 1.942) 4.374 10.468 ( 3.920 0.000 1.942) 4.374 10.753 ( -1.631 0.000 -1.200) 2.025 10.753 ( 1.631 0.000 -1.200) 2.025 11.310 ( -1.391 0.000 1.475) 2.028 11.310 ( 1.391 0.000 1.475) 2.028 11.513 ( -0.718 0.000 2.008) 2.133 11.513 ( 0.718 0.000 2.008) 2.133 11.978 ( -0.149 0.000 0.141) 0.205 11.978 ( 0.149 0.000 0.141) 0.205 12.619 ( -0.231 0.000 -0.323) 0.397 12.619 ( 0.231 0.000 -0.323) 0.397 14.484 ( -1.178 0.000 0.832) 1.442 14.484 ( 1.178 0.000 0.832) 1.442 14.732 ( -2.925 0.000 -3.441) 4.516 14.732 ( 2.925 0.000 -3.441) 4.516 14.955 ( -0.030 0.000 0.150) 0.153 14.955 ( 0.030 0.000 0.150) 0.153 15.124 ( -0.062 0.000 0.160) 0.172 15.124 ( 0.062 0.000 0.160) 0.172 15.865 ( -0.117 0.000 -0.081) 0.142 15.865 ( 0.117 0.000 -0.081) 0.142 15.956 ( -0.440 0.000 0.311) 0.539 15.956 ( 0.440 0.000 0.311) 0.539 16.169 ( -0.292 0.000 0.840) 0.889 16.169 ( 0.292 0.000 0.840) 0.889 16.200 ( -0.343 0.000 -1.871) 1.903 16.200 ( 0.343 0.000 -1.871) 1.903 16.638 ( -1.458 0.000 2.168) 2.613 16.638 ( 1.458 0.000 2.168) 2.613 16.790 ( -2.691 0.000 -1.557) 3.109 16.790 ( 2.691 0.000 -1.557) 3.109 17.976 ( -0.206 0.000 1.897) 1.909 17.976 ( 0.206 0.000 1.897) 1.909 18.151 ( -0.573 0.000 0.385) 0.690 18.151 ( 0.573 0.000 0.385) 0.690 ======================= Grid point 66 (27/32) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.000 5.477 15.164) 16.123 1.647 ( 0.000 -0.281 -8.422) 8.427 1.668 ( 0.000 3.054 17.674) 17.936 1.814 ( 0.000 1.137 9.132) 9.203 1.834 ( 0.000 4.048 14.060) 14.631 1.955 ( 0.000 7.088 9.718) 12.028 2.068 ( 0.000 -2.233 1.078) 2.480 2.074 ( 0.000 -3.061 -7.870) 8.444 2.142 ( 0.000 -7.935 5.802) 9.829 2.161 ( 0.000 5.418 2.664) 6.037 2.303 ( 0.000 5.882 -4.946) 7.685 2.365 ( 0.000 -0.166 -3.452) 3.456 2.448 ( 0.000 -2.105 -0.520) 2.168 2.452 ( 0.000 -0.390 -2.780) 2.807 2.484 ( 0.000 -0.910 5.222) 5.300 2.503 ( 0.000 -0.342 0.181) 0.387 2.590 ( 0.000 -5.420 -3.301) 6.346 2.594 ( 0.000 -3.085 -6.589) 7.276 2.601 ( 0.000 -2.047 -6.306) 6.630 2.652 ( 0.000 -1.880 -7.184) 7.426 2.716 ( 0.000 -1.421 3.763) 4.022 2.813 ( 0.000 -2.058 -4.476) 4.927 2.817 ( 0.000 2.031 9.065) 9.290 2.859 ( 0.000 -0.506 -2.287) 2.342 2.869 ( 0.000 -1.994 1.674) 2.603 2.927 ( 0.000 4.694 6.373) 7.915 2.932 ( 0.000 2.317 -0.777) 2.444 3.002 ( 0.000 -1.863 -1.328) 2.288 3.011 ( 0.000 0.445 1.070) 1.158 3.022 ( 0.000 -0.813 2.299) 2.439 3.062 ( 0.000 4.670 6.553) 8.047 3.089 ( 0.000 2.565 4.340) 5.041 3.095 ( 0.000 0.007 -3.153) 3.153 3.125 ( 0.000 -0.786 -1.989) 2.139 3.142 ( 0.000 0.562 5.186) 5.216 3.166 ( 0.000 -5.277 8.044) 9.620 3.197 ( 0.000 2.946 -1.571) 3.339 3.248 ( 0.000 2.249 -0.964) 2.447 3.279 ( 0.000 -0.668 0.271) 0.721 3.312 ( 0.000 -1.127 -1.924) 2.230 3.361 ( 0.000 -4.070 -0.963) 4.183 3.390 ( 0.000 -2.517 -1.156) 2.770 3.398 ( 0.000 -2.713 -3.887) 4.741 3.425 ( 0.000 -0.264 3.406) 3.416 3.459 ( 0.000 2.872 5.745) 6.423 3.478 ( 0.000 -0.451 -5.925) 5.942 3.515 ( 0.000 -0.074 -2.196) 2.198 3.520 ( 0.000 0.925 -1.062) 1.408 3.579 ( 0.000 0.485 -2.788) 2.830 3.620 ( 0.000 3.714 -3.733) 5.266 3.714 ( 0.000 -2.066 7.346) 7.631 3.742 ( 0.000 0.988 2.010) 2.239 3.760 ( 0.000 1.351 2.125) 2.519 3.804 ( 0.000 -2.173 -1.743) 2.786 3.816 ( 0.000 2.484 -1.698) 3.009 3.818 ( 0.000 3.689 -1.209) 3.882 3.875 ( 0.000 1.685 -1.363) 2.167 3.895 ( 0.000 2.466 0.097) 2.468 3.957 ( 0.000 -2.354 -1.780) 2.952 3.962 ( 0.000 0.625 -1.972) 2.069 4.045 ( 0.000 7.167 4.935) 8.702 4.080 ( 0.000 4.393 4.026) 5.959 4.107 ( 0.000 1.408 2.447) 2.823 4.115 ( 0.000 0.265 0.036) 0.267 4.170 ( 0.000 -2.503 2.834) 3.781 4.179 ( 0.000 -0.764 -4.456) 4.521 4.196 ( 0.000 5.999 -0.499) 6.020 4.212 ( 0.000 -0.428 0.484) 0.646 4.246 ( 0.000 0.108 -4.526) 4.527 4.289 ( 0.000 0.106 0.684) 0.692 4.312 ( 0.000 -0.033 -1.167) 1.167 4.326 ( 0.000 0.972 -0.888) 1.316 4.372 ( 0.000 1.114 -2.093) 2.371 4.385 ( 0.000 2.903 -1.352) 3.203 4.400 ( 0.000 5.316 0.577) 5.347 4.408 ( 0.000 3.358 -2.974) 4.486 4.425 ( 0.000 1.430 2.487) 2.869 4.461 ( 0.000 4.291 -0.529) 4.324 4.557 ( 0.000 5.781 -0.817) 5.838 4.580 ( 0.000 6.395 -0.440) 6.410 4.640 ( 0.000 2.698 0.925) 2.852 4.656 ( 0.000 -0.486 0.162) 0.512 4.687 ( 0.000 4.192 -0.387) 4.210 4.710 ( 0.000 6.938 -2.428) 7.351 4.752 ( 0.000 2.001 0.965) 2.221 4.782 ( 0.000 4.130 -2.953) 5.077 4.796 ( 0.000 1.492 -1.966) 2.468 4.800 ( 0.000 7.007 -2.369) 7.396 4.957 ( 0.000 2.197 0.446) 2.242 4.983 ( 0.000 0.778 -1.791) 1.953 5.037 ( 0.000 2.002 5.238) 5.607 5.115 ( 0.000 1.155 -0.434) 1.234 5.152 ( 0.000 2.876 0.106) 2.878 5.154 ( 0.000 0.229 3.836) 3.843 5.180 ( 0.000 1.686 1.031) 1.976 5.222 ( 0.000 -3.148 0.752) 3.237 5.260 ( 0.000 -2.307 -1.191) 2.597 5.281 ( 0.000 -1.010 -3.327) 3.477 5.320 ( 0.000 2.737 -5.781) 6.397 5.322 ( 0.000 0.181 -4.528) 4.532 5.446 ( 0.000 -1.854 2.855) 3.405 5.481 ( 0.000 2.482 3.007) 3.899 5.518 ( 0.000 -2.245 -2.047) 3.038 5.531 ( 0.000 2.685 -1.179) 2.933 5.558 ( 0.000 3.027 -1.845) 3.545 5.567 ( 0.000 2.083 -1.933) 2.842 5.600 ( 0.000 2.575 2.762) 3.776 5.650 ( 0.000 1.402 -1.375) 1.964 5.673 ( 0.000 1.567 3.097) 3.471 5.716 ( 0.000 3.702 -1.484) 3.988 5.716 ( 0.000 3.183 -0.477) 3.219 5.749 ( 0.000 3.935 -3.748) 5.434 5.804 ( 0.000 -0.326 -2.502) 2.523 5.805 ( 0.000 -0.804 -3.777) 3.862 5.862 ( 0.000 1.887 1.558) 2.447 5.918 ( 0.000 4.042 -2.474) 4.739 5.956 ( 0.000 5.617 -1.122) 5.728 5.984 ( 0.000 8.234 -4.443) 9.356 6.049 ( 0.000 -0.340 5.819) 5.828 6.081 ( 0.000 3.308 2.025) 3.879 6.129 ( 0.000 3.311 1.524) 3.645 6.222 ( 0.000 -0.963 2.073) 2.286 6.261 ( 0.000 -0.874 -8.192) 8.238 6.283 ( 0.000 -2.071 -2.215) 3.033 6.339 ( 0.000 2.919 4.402) 5.282 6.397 ( 0.000 -2.807 1.267) 3.080 6.454 ( 0.000 2.388 1.386) 2.762 6.489 ( 0.000 -0.899 -0.583) 1.071 6.541 ( 0.000 -0.742 0.726) 1.038 6.583 ( 0.000 -3.641 -2.736) 4.554 6.659 ( 0.000 -2.094 -0.963) 2.305 6.660 ( 0.000 0.002 0.699) 0.699 6.723 ( 0.000 2.966 -2.073) 3.619 6.806 ( 0.000 4.146 -7.278) 8.376 6.980 ( 0.000 -4.570 4.696) 6.553 6.985 ( 0.000 -6.373 4.001) 7.525 6.992 ( 0.000 -1.274 1.818) 2.220 7.014 ( 0.000 -2.178 0.625) 2.266 7.074 ( 0.000 -0.899 1.416) 1.677 7.109 ( 0.000 -2.209 -1.304) 2.565 7.224 ( 0.000 -11.044 1.434) 11.137 7.234 ( 0.000 -10.160 0.408) 10.168 7.281 ( 0.000 -6.621 -0.087) 6.622 7.290 ( 0.000 -8.235 -1.087) 8.307 7.343 ( 0.000 -4.383 0.214) 4.388 7.345 ( 0.000 -2.163 0.287) 2.182 7.498 ( 0.000 -1.438 7.800) 7.931 7.654 ( 0.000 2.275 -3.765) 4.399 7.754 ( 0.000 0.333 -1.391) 1.430 7.763 ( 0.000 3.175 -0.972) 3.320 7.852 ( 0.000 1.658 5.606) 5.846 7.916 ( 0.000 1.583 -0.449) 1.645 8.032 ( 0.000 0.359 3.777) 3.794 8.057 ( 0.000 -0.314 0.973) 1.022 8.127 ( 0.000 -4.229 0.608) 4.273 8.140 ( 0.000 -2.001 0.327) 2.027 8.183 ( 0.000 -1.714 2.211) 2.798 8.241 ( 0.000 1.039 2.877) 3.058 8.249 ( 0.000 -2.409 -2.984) 3.835 8.272 ( 0.000 -0.461 -0.533) 0.705 8.398 ( 0.000 -1.653 1.744) 2.403 8.426 ( 0.000 -0.319 3.638) 3.652 8.451 ( 0.000 -1.720 2.566) 3.089 8.453 ( 0.000 0.392 2.551) 2.581 8.570 ( 0.000 -2.241 2.150) 3.106 8.618 ( 0.000 -0.405 -3.352) 3.376 8.652 ( 0.000 -1.971 -5.641) 5.975 8.684 ( 0.000 -5.421 -5.105) 7.446 8.836 ( 0.000 -11.058 -3.155) 11.499 8.852 ( 0.000 -9.561 -4.136) 10.417 9.200 ( 0.000 0.923 0.278) 0.964 9.221 ( 0.000 3.537 -1.172) 3.726 9.291 ( 0.000 -10.927 -0.818) 10.957 9.303 ( 0.000 -7.822 -1.652) 7.995 9.459 ( 0.000 4.451 0.993) 4.561 9.516 ( 0.000 6.173 -4.474) 7.624 9.629 ( 0.000 2.021 5.065) 5.454 9.733 ( 0.000 1.947 -3.210) 3.755 9.807 ( 0.000 -1.317 4.342) 4.537 9.882 ( 0.000 1.836 -2.622) 3.201 10.423 ( 0.000 2.610 3.041) 4.008 10.515 ( 0.000 0.231 -4.285) 4.291 10.660 ( 0.000 -5.529 2.534) 6.083 10.718 ( 0.000 -4.874 -3.307) 5.890 11.342 ( 0.000 4.841 2.838) 5.611 11.380 ( 0.000 4.332 -0.674) 4.384 11.587 ( 0.000 7.600 3.099) 8.208 11.606 ( 0.000 7.241 1.287) 7.354 11.965 ( 0.000 -0.997 0.127) 1.005 11.966 ( 0.000 -0.852 0.058) 0.854 12.571 ( 0.000 -4.103 0.027) 4.103 12.577 ( 0.000 -4.136 -0.619) 4.182 14.456 ( 0.000 -0.005 1.133) 1.133 14.478 ( 0.000 -0.385 -0.732) 0.827 14.672 ( 0.000 -2.586 1.318) 2.902 14.736 ( 0.000 -3.896 -4.678) 6.088 15.002 ( 0.000 3.691 -0.478) 3.721 15.007 ( 0.000 3.734 -1.127) 3.900 15.132 ( 0.000 0.662 -0.228) 0.700 15.138 ( 0.000 0.947 -1.039) 1.406 15.871 ( 0.000 0.800 -0.173) 0.819 15.872 ( 0.000 1.079 -0.128) 1.086 15.957 ( 0.000 0.378 1.076) 1.140 15.968 ( 0.000 0.168 0.117) 0.205 16.168 ( 0.000 0.324 0.330) 0.462 16.183 ( 0.000 0.669 0.532) 0.855 16.191 ( 0.000 -0.232 -1.739) 1.755 16.212 ( 0.000 0.517 -2.163) 2.224 16.628 ( 0.000 0.828 2.976) 3.089 16.674 ( 0.000 0.317 -1.358) 1.394 16.736 ( 0.000 -0.194 3.882) 3.887 16.814 ( 0.000 -1.341 -3.711) 3.945 17.942 ( 0.000 -2.514 1.843) 3.117 17.943 ( 0.000 -2.829 1.875) 3.394 18.081 ( 0.000 -5.258 1.069) 5.366 18.089 ( 0.000 -5.967 0.472) 5.985 ======================= Grid point 67 (28/32) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -8.452 5.753 11.365) 15.287 1.505 ( 8.452 5.753 11.365) 15.287 1.754 ( -6.670 2.170 13.250) 14.992 1.754 ( 6.670 2.170 13.250) 14.992 1.851 ( -6.748 -0.381 -0.073) 6.759 1.851 ( 6.748 -0.381 -0.073) 6.759 2.066 ( -5.359 -2.718 0.609) 6.040 2.066 ( 5.359 -2.718 0.609) 6.040 2.209 ( -1.829 2.851 0.428) 3.414 2.209 ( 1.829 2.851 0.428) 3.414 2.340 ( -4.655 1.154 2.590) 5.450 2.340 ( 4.655 1.154 2.590) 5.450 2.425 ( -1.130 -0.746 -1.032) 1.703 2.425 ( 1.130 -0.746 -1.032) 1.703 2.512 ( -2.754 -2.774 -5.558) 6.795 2.512 ( 2.754 -2.774 -5.558) 6.795 2.586 ( -1.314 -2.440 -2.779) 3.924 2.586 ( 1.314 -2.440 -2.779) 3.924 2.678 ( -0.969 -1.524 -3.128) 3.612 2.678 ( 0.969 -1.524 -3.128) 3.612 2.729 ( -3.822 -0.767 3.021) 4.932 2.729 ( 3.822 -0.767 3.021) 4.932 2.842 ( -2.983 -0.708 -1.221) 3.300 2.842 ( 2.983 -0.708 -1.221) 3.300 2.891 ( -3.338 -0.789 1.666) 3.813 2.891 ( 3.338 -0.789 1.666) 3.813 2.937 ( -2.538 2.858 1.095) 3.976 2.937 ( 2.538 2.858 1.095) 3.976 3.010 ( -1.513 0.803 2.564) 3.083 3.010 ( 1.513 0.803 2.564) 3.083 3.066 ( -2.149 1.247 2.701) 3.670 3.066 ( 2.149 1.247 2.701) 3.670 3.133 ( -2.399 0.618 -2.084) 3.237 3.133 ( 2.399 0.618 -2.084) 3.237 3.154 ( -1.058 1.279 5.356) 5.607 3.154 ( 1.058 1.279 5.356) 5.607 3.230 ( -1.687 2.208 2.254) 3.578 3.230 ( 1.687 2.208 2.254) 3.578 3.303 ( -3.444 -2.414 1.762) 4.560 3.303 ( 3.444 -2.414 1.762) 4.560 3.366 ( -0.602 -5.864 -3.180) 6.698 3.366 ( 0.602 -5.864 -3.180) 6.698 3.397 ( -4.008 -1.518 1.353) 4.494 3.397 ( 4.008 -1.518 1.353) 4.494 3.498 ( -0.831 0.191 -1.535) 1.756 3.498 ( 0.831 0.191 -1.535) 1.756 3.532 ( -2.246 2.797 -1.394) 3.848 3.532 ( 2.246 2.797 -1.394) 3.848 3.564 ( -2.481 0.529 -2.845) 3.812 3.564 ( 2.481 0.529 -2.845) 3.812 3.713 ( -1.306 3.812 1.804) 4.414 3.713 ( 1.306 3.812 1.804) 4.414 3.789 ( -3.860 -1.690 1.378) 4.433 3.789 ( 3.860 -1.690 1.378) 4.433 3.836 ( -1.909 1.479 -0.892) 2.574 3.836 ( 1.909 1.479 -0.892) 2.574 3.903 ( -1.044 -1.092 -4.945) 5.170 3.903 ( 1.044 -1.092 -4.945) 5.170 3.972 ( -2.988 3.974 1.015) 5.075 3.972 ( 2.988 3.974 1.015) 5.075 4.048 ( -2.661 -0.173 2.335) 3.544 4.048 ( 2.661 -0.173 2.335) 3.544 4.080 ( -0.713 2.567 3.498) 4.397 4.080 ( 0.713 2.567 3.498) 4.397 4.146 ( -1.909 3.298 -0.808) 3.895 4.146 ( 1.909 3.298 -0.808) 3.895 4.214 ( -1.568 -2.416 -4.584) 5.414 4.214 ( 1.568 -2.416 -4.584) 5.414 4.267 ( -2.170 4.156 2.744) 5.433 4.267 ( 2.170 4.156 2.744) 5.433 4.344 ( -0.559 0.136 -2.187) 2.262 4.344 ( 0.559 0.136 -2.187) 2.262 4.369 ( -0.813 2.895 1.002) 3.170 4.369 ( 0.813 2.895 1.002) 3.170 4.432 ( -1.412 5.129 -1.074) 5.427 4.432 ( 1.412 5.129 -1.074) 5.427 4.450 ( -1.992 -0.722 0.087) 2.121 4.450 ( 1.992 -0.722 0.087) 2.121 4.585 ( -1.112 5.148 0.857) 5.336 4.585 ( 1.112 5.148 0.857) 5.336 4.632 ( -2.340 4.873 0.875) 5.476 4.632 ( 2.340 4.873 0.875) 5.476 4.684 ( -0.396 3.219 -1.502) 3.574 4.684 ( 0.396 3.219 -1.502) 3.574 4.763 ( -1.534 2.399 -2.650) 3.889 4.763 ( 1.534 2.399 -2.650) 3.889 4.789 ( -0.201 6.116 -3.054) 6.839 4.789 ( 0.201 6.116 -3.054) 6.839 4.961 ( -1.045 0.771 -0.221) 1.317 4.961 ( 1.045 0.771 -0.221) 1.317 5.110 ( -2.672 0.665 4.364) 5.160 5.110 ( 2.672 0.665 4.364) 5.160 5.139 ( -1.333 1.413 1.452) 2.425 5.139 ( 1.333 1.413 1.452) 2.425 5.223 ( -4.590 1.480 -2.964) 5.661 5.223 ( 4.590 1.480 -2.964) 5.661 5.253 ( -1.282 -1.440 -0.067) 1.929 5.253 ( 1.282 -1.440 -0.067) 1.929 5.314 ( -1.335 -0.713 -4.504) 4.751 5.314 ( 1.335 -0.713 -4.504) 4.751 5.476 ( -0.904 0.757 1.793) 2.146 5.476 ( 0.904 0.757 1.793) 2.146 5.507 ( -2.009 0.083 -0.574) 2.091 5.507 ( 2.009 0.083 -0.574) 2.091 5.579 ( -1.320 2.936 1.380) 3.503 5.579 ( 1.320 2.936 1.380) 3.503 5.625 ( -1.759 2.791 0.387) 3.322 5.625 ( 1.759 2.791 0.387) 3.322 5.658 ( -2.902 3.806 -2.440) 5.373 5.658 ( 2.902 3.806 -2.440) 5.373 5.733 ( -0.773 1.216 -1.684) 2.216 5.733 ( 0.773 1.216 -1.684) 2.216 5.829 ( -2.009 -1.248 -0.856) 2.515 5.829 ( 2.009 -1.248 -0.856) 2.515 5.874 ( -2.914 2.674 -2.117) 4.485 5.874 ( 2.914 2.674 -2.117) 4.485 5.970 ( -1.355 8.143 -3.172) 8.843 5.970 ( 1.355 8.143 -3.172) 8.843 6.126 ( -3.572 0.564 -0.562) 3.659 6.126 ( 3.572 0.564 -0.562) 3.659 6.156 ( -2.763 2.182 0.794) 3.609 6.156 ( 2.763 2.182 0.794) 3.609 6.243 ( -4.678 -0.395 2.657) 5.394 6.243 ( 4.678 -0.395 2.657) 5.394 6.393 ( -3.242 0.839 4.144) 5.328 6.393 ( 3.242 0.839 4.144) 5.328 6.482 ( -3.360 -2.118 -3.836) 5.521 6.482 ( 3.360 -2.118 -3.836) 5.521 6.569 ( -3.185 -0.411 -0.539) 3.257 6.569 ( 3.185 -0.411 -0.539) 3.257 6.593 ( -4.073 -1.144 -1.602) 4.524 6.593 ( 4.073 -1.144 -1.602) 4.524 6.776 ( -2.504 2.486 -1.481) 3.827 6.776 ( 2.504 2.486 -1.481) 3.827 6.899 ( -1.536 0.247 -1.798) 2.378 6.899 ( 1.536 0.247 -1.798) 2.378 7.005 ( -0.919 -4.731 4.228) 6.411 7.005 ( 0.919 -4.731 4.228) 6.411 7.192 ( -0.332 -11.955 0.708) 11.981 7.192 ( 0.332 -11.955 0.708) 11.981 7.253 ( -1.125 -7.008 0.784) 7.141 7.253 ( 1.125 -7.008 0.784) 7.141 7.315 ( -1.300 -5.768 0.447) 5.929 7.315 ( 1.300 -5.768 0.447) 5.929 7.369 ( -2.920 -1.796 2.795) 4.423 7.369 ( 2.920 -1.796 2.795) 4.423 7.505 ( -9.012 0.328 -2.099) 9.259 7.505 ( 9.012 0.328 -2.099) 9.259 7.749 ( -1.321 3.310 0.186) 3.569 7.749 ( 1.321 3.310 0.186) 3.569 7.850 ( -1.807 1.439 2.799) 3.629 7.850 ( 1.807 1.439 2.799) 3.629 8.079 ( -0.693 -0.354 1.931) 2.082 8.079 ( 0.693 -0.354 1.931) 2.082 8.126 ( -0.335 -2.058 1.280) 2.446 8.126 ( 0.335 -2.058 1.280) 2.446 8.201 ( -1.864 -1.622 0.686) 2.565 8.201 ( 1.864 -1.622 0.686) 2.565 8.271 ( -0.463 -0.317 -1.237) 1.358 8.271 ( 0.463 -0.317 -1.237) 1.358 8.411 ( -0.382 -0.353 4.089) 4.122 8.411 ( 0.382 -0.353 4.089) 4.122 8.470 ( -2.667 -2.672 3.924) 5.445 8.470 ( 2.667 -2.672 3.924) 5.445 8.598 ( -3.966 -1.294 -3.315) 5.328 8.598 ( 3.966 -1.294 -3.315) 5.328 8.652 ( -1.407 -1.272 -6.188) 6.472 8.652 ( 1.407 -1.272 -6.188) 6.472 8.835 ( -0.469 -10.810 -2.575) 11.123 8.835 ( 0.469 -10.810 -2.575) 11.123 9.208 ( -1.202 -6.794 -0.576) 6.923 9.208 ( 1.202 -6.794 -0.576) 6.923 9.366 ( -1.871 1.753 -0.195) 2.571 9.366 ( 1.871 1.753 -0.195) 2.571 9.446 ( -4.252 -0.975 -2.493) 5.025 9.446 ( 4.252 -0.975 -2.493) 5.025 9.640 ( -2.200 5.427 3.243) 6.694 9.640 ( 2.200 5.427 3.243) 6.694 9.864 ( -1.584 0.476 -1.715) 2.383 9.864 ( 1.584 0.476 -1.715) 2.383 10.477 ( -3.008 0.943 0.683) 3.226 10.477 ( 3.008 0.943 0.683) 3.226 10.690 ( -1.927 -5.206 -1.469) 5.743 10.690 ( 1.927 -5.206 -1.469) 5.743 11.359 ( -1.199 4.664 1.204) 4.964 11.359 ( 1.199 4.664 1.204) 4.964 11.598 ( -0.595 7.342 2.057) 7.648 11.598 ( 0.595 7.342 2.057) 7.648 11.964 ( -0.112 -0.886 0.022) 0.894 11.964 ( 0.112 -0.886 0.022) 0.894 12.574 ( -0.217 -4.122 -0.288) 4.138 12.574 ( 0.217 -4.122 -0.288) 4.138 14.477 ( -0.932 -0.259 0.656) 1.169 14.477 ( 0.932 -0.259 0.656) 1.169 14.694 ( -2.229 -3.165 -2.237) 4.470 14.694 ( 2.229 -3.165 -2.237) 4.470 15.004 ( -0.168 3.724 -0.825) 3.817 15.004 ( 0.168 3.724 -0.825) 3.817 15.134 ( -0.199 0.760 -0.580) 0.977 15.134 ( 0.199 0.760 -0.580) 0.977 15.879 ( -0.120 1.221 -0.017) 1.227 15.879 ( 0.120 1.221 -0.017) 1.227 15.956 ( -0.394 -0.002 0.474) 0.616 15.956 ( 0.394 -0.002 0.474) 0.616 16.173 ( -0.382 0.299 0.238) 0.540 16.173 ( 0.382 0.299 0.238) 0.540 16.204 ( -0.585 0.324 -1.764) 1.887 16.204 ( 0.585 0.324 -1.764) 1.887 16.645 ( -1.337 0.701 2.075) 2.566 16.645 ( 1.337 0.701 2.075) 2.566 16.781 ( -2.321 -0.884 -1.137) 2.731 16.781 ( 2.321 -0.884 -1.137) 2.731 17.944 ( -0.067 -2.605 1.824) 3.181 17.944 ( 0.067 -2.605 1.824) 3.181 18.083 ( -0.249 -5.665 0.816) 5.729 18.083 ( 0.249 -5.665 0.816) 5.729 ======================= Grid point 69 (29/32) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 4.197 7.865) 8.915 1.604 ( 0.000 -2.665 -1.255) 2.946 1.753 ( 0.000 3.794 11.742) 12.340 1.884 ( 0.000 6.078 10.168) 11.846 1.930 ( 0.000 -6.815 -3.552) 7.685 1.955 ( 0.000 5.673 10.587) 12.011 2.031 ( 0.000 2.060 -0.852) 2.230 2.050 ( 0.000 -0.621 9.354) 9.375 2.117 ( 0.000 6.386 4.508) 7.817 2.213 ( 0.000 -1.794 5.665) 5.943 2.329 ( 0.000 -4.888 2.143) 5.337 2.382 ( 0.000 -4.717 -4.815) 6.740 2.396 ( 0.000 -1.517 -2.661) 3.063 2.404 ( 0.000 -1.806 -6.118) 6.379 2.442 ( 0.000 -2.982 0.065) 2.983 2.512 ( 0.000 -2.810 -1.345) 3.115 2.524 ( 0.000 -2.623 -3.758) 4.583 2.531 ( 0.000 -1.654 -3.622) 3.982 2.583 ( 0.000 4.541 0.287) 4.550 2.625 ( 0.000 0.339 -3.635) 3.651 2.687 ( 0.000 0.729 -0.668) 0.989 2.774 ( 0.000 -1.165 -5.949) 6.062 2.808 ( 0.000 -2.847 4.574) 5.387 2.820 ( 0.000 -1.847 -1.273) 2.243 2.831 ( 0.000 -0.503 -2.142) 2.201 2.913 ( 0.000 -4.066 -1.853) 4.468 2.936 ( 0.000 -3.514 -0.372) 3.534 2.937 ( 0.000 -4.035 -3.374) 5.260 2.976 ( 0.000 -3.472 -0.205) 3.478 2.995 ( 0.000 -1.813 -2.202) 2.852 3.064 ( 0.000 -2.621 0.133) 2.624 3.071 ( 0.000 -2.009 0.374) 2.043 3.091 ( 0.000 0.929 -1.128) 1.461 3.108 ( 0.000 0.019 -2.474) 2.474 3.150 ( 0.000 0.470 2.925) 2.963 3.202 ( 0.000 -1.768 -2.296) 2.898 3.260 ( 0.000 7.984 12.406) 14.753 3.279 ( 0.000 2.387 4.636) 5.214 3.294 ( 0.000 0.490 1.704) 1.773 3.304 ( 0.000 4.405 3.564) 5.666 3.369 ( 0.000 0.870 -0.845) 1.212 3.373 ( 0.000 1.840 5.979) 6.256 3.394 ( 0.000 -0.908 1.111) 1.435 3.421 ( 0.000 -4.431 -0.352) 4.445 3.438 ( 0.000 2.916 -2.766) 4.020 3.556 ( 0.000 3.248 -2.120) 3.878 3.569 ( 0.000 2.664 -1.839) 3.237 3.581 ( 0.000 4.006 -5.989) 7.206 3.611 ( 0.000 2.808 2.287) 3.622 3.660 ( 0.000 0.636 -0.514) 0.818 3.714 ( 0.000 1.506 0.917) 1.763 3.741 ( 0.000 -3.213 0.325) 3.230 3.758 ( 0.000 0.356 0.685) 0.772 3.771 ( 0.000 0.028 0.632) 0.633 3.849 ( 0.000 -0.858 -0.505) 0.996 3.874 ( 0.000 -0.600 1.536) 1.649 3.914 ( 0.000 0.420 -2.329) 2.366 3.924 ( 0.000 0.259 -4.930) 4.937 3.963 ( 0.000 3.060 1.626) 3.466 3.970 ( 0.000 2.869 0.631) 2.937 4.069 ( 0.000 -3.243 3.197) 4.555 4.093 ( 0.000 0.065 1.521) 1.522 4.118 ( 0.000 0.609 -0.549) 0.820 4.122 ( 0.000 -2.129 0.085) 2.131 4.174 ( 0.000 -0.510 0.623) 0.805 4.184 ( 0.000 3.161 3.500) 4.716 4.213 ( 0.000 -0.836 -1.713) 1.906 4.260 ( 0.000 1.222 -1.978) 2.325 4.300 ( 0.000 5.615 4.738) 7.347 4.342 ( 0.000 6.440 0.313) 6.448 4.370 ( 0.000 3.960 -0.899) 4.061 4.400 ( 0.000 3.726 5.302) 6.480 4.431 ( 0.000 2.918 -1.419) 3.245 4.440 ( 0.000 1.792 1.391) 2.269 4.472 ( 0.000 3.600 -3.082) 4.739 4.534 ( 0.000 5.209 -3.391) 6.215 4.558 ( 0.000 7.181 1.858) 7.417 4.590 ( 0.000 4.116 -2.215) 4.674 4.608 ( 0.000 -0.299 1.178) 1.215 4.625 ( 0.000 2.626 0.176) 2.632 4.704 ( 0.000 3.774 -0.333) 3.789 4.760 ( 0.000 2.227 -3.312) 3.991 4.826 ( 0.000 3.207 0.940) 3.342 4.847 ( 0.000 11.973 4.364) 12.743 4.873 ( 0.000 7.150 -0.283) 7.156 4.908 ( 0.000 7.287 0.716) 7.322 4.922 ( 0.000 6.246 -2.163) 6.610 4.989 ( 0.000 13.571 -6.588) 15.085 5.028 ( 0.000 4.591 -1.266) 4.763 5.038 ( 0.000 2.574 -2.670) 3.709 5.097 ( 0.000 5.057 5.775) 7.676 5.136 ( 0.000 1.201 -1.282) 1.757 5.137 ( 0.000 -2.057 2.047) 2.903 5.174 ( 0.000 -1.057 -2.418) 2.639 5.193 ( 0.000 2.441 0.616) 2.518 5.215 ( 0.000 1.577 1.799) 2.392 5.225 ( 0.000 0.103 -2.314) 2.317 5.290 ( 0.000 1.260 3.049) 3.299 5.331 ( 0.000 0.370 -2.795) 2.820 5.355 ( 0.000 -0.506 -5.508) 5.531 5.419 ( 0.000 -0.901 -0.464) 1.014 5.470 ( 0.000 -1.507 -3.609) 3.911 5.519 ( 0.000 0.002 2.530) 2.530 5.551 ( 0.000 -0.206 2.172) 2.182 5.553 ( 0.000 -2.471 -0.929) 2.640 5.593 ( 0.000 -0.021 -1.825) 1.825 5.647 ( 0.000 0.999 0.466) 1.103 5.669 ( 0.000 -0.151 -0.604) 0.623 5.715 ( 0.000 1.044 3.574) 3.723 5.736 ( 0.000 -2.066 0.456) 2.116 5.751 ( 0.000 -1.036 -1.488) 1.813 5.783 ( 0.000 -1.955 -2.218) 2.957 5.839 ( 0.000 2.450 -0.986) 2.641 5.869 ( 0.000 6.176 -4.355) 7.557 5.917 ( 0.000 4.247 3.471) 5.485 5.983 ( 0.000 -3.010 2.914) 4.189 6.004 ( 0.000 1.363 -1.142) 1.778 6.065 ( 0.000 3.311 -1.514) 3.641 6.141 ( 0.000 4.182 -3.224) 5.280 6.169 ( 0.000 -1.701 -6.249) 6.476 6.202 ( 0.000 4.663 3.657) 5.926 6.248 ( 0.000 5.903 -1.173) 6.019 6.260 ( 0.000 1.265 0.616) 1.407 6.284 ( 0.000 2.548 -1.598) 3.008 6.331 ( 0.000 -2.276 3.766) 4.401 6.370 ( 0.000 0.326 0.070) 0.334 6.464 ( 0.000 -4.279 0.318) 4.291 6.468 ( 0.000 -5.812 -0.019) 5.812 6.491 ( 0.000 0.312 0.860) 0.915 6.509 ( 0.000 0.637 -0.183) 0.662 6.597 ( 0.000 -3.699 -0.641) 3.754 6.609 ( 0.000 -2.851 -1.756) 3.348 6.814 ( 0.000 -0.319 5.405) 5.414 6.822 ( 0.000 -7.156 3.524) 7.977 6.856 ( 0.000 -5.335 0.132) 5.337 6.867 ( 0.000 -4.601 2.545) 5.258 6.933 ( 0.000 -0.144 -1.858) 1.863 6.934 ( 0.000 -3.306 -2.692) 4.263 7.006 ( 0.000 -6.736 -2.119) 7.061 7.015 ( 0.000 -3.856 2.167) 4.423 7.054 ( 0.000 -2.151 -3.165) 3.826 7.059 ( 0.000 -2.349 -1.808) 2.964 7.162 ( 0.000 -1.705 -0.168) 1.714 7.203 ( 0.000 -0.783 -2.529) 2.648 7.293 ( 0.000 0.254 0.188) 0.316 7.319 ( 0.000 -0.640 -2.049) 2.146 7.415 ( 0.000 -5.257 5.081) 7.312 7.582 ( 0.000 -8.610 -9.828) 13.066 7.784 ( 0.000 2.290 3.277) 3.997 7.814 ( 0.000 1.221 0.346) 1.269 7.894 ( 0.000 1.683 4.247) 4.568 7.941 ( 0.000 0.347 -0.289) 0.452 8.019 ( 0.000 -3.769 3.916) 5.435 8.029 ( 0.000 -2.294 2.632) 3.491 8.046 ( 0.000 0.864 3.216) 3.330 8.101 ( 0.000 -1.156 -1.431) 1.839 8.163 ( 0.000 0.028 1.104) 1.105 8.204 ( 0.000 -1.649 -1.348) 2.130 8.277 ( 0.000 0.334 2.211) 2.236 8.278 ( 0.000 1.655 3.653) 4.010 8.339 ( 0.000 -2.986 2.247) 3.737 8.369 ( 0.000 -4.767 4.907) 6.842 8.394 ( 0.000 -4.434 2.406) 5.045 8.397 ( 0.000 -1.790 0.018) 1.790 8.542 ( 0.000 -0.073 -3.000) 3.001 8.600 ( 0.000 -2.816 -6.553) 7.133 8.622 ( 0.000 -1.062 -3.334) 3.500 8.628 ( 0.000 -0.789 -5.633) 5.688 8.709 ( 0.000 -0.033 -2.075) 2.075 8.713 ( 0.000 1.015 -3.046) 3.210 9.059 ( 0.000 -8.548 2.712) 8.968 9.139 ( 0.000 -8.708 -4.864) 9.974 9.311 ( 0.000 6.345 2.792) 6.932 9.357 ( 0.000 7.738 -1.325) 7.850 9.498 ( 0.000 0.254 1.390) 1.413 9.550 ( 0.000 -0.883 -3.329) 3.444 9.635 ( 0.000 -1.317 8.220) 8.325 9.711 ( 0.000 -6.153 8.838) 10.769 9.717 ( 0.000 -3.159 1.352) 3.436 9.833 ( 0.000 -6.248 -1.801) 6.502 10.479 ( 0.000 2.120 -1.700) 2.718 10.520 ( 0.000 -0.081 -4.539) 4.540 10.551 ( 0.000 -3.282 -0.575) 3.332 10.609 ( 0.000 -4.528 -5.632) 7.226 11.486 ( 0.000 7.917 2.311) 8.247 11.512 ( 0.000 7.330 -0.039) 7.330 11.729 ( 0.000 1.924 2.279) 2.982 11.733 ( 0.000 0.889 1.857) 2.059 12.006 ( 0.000 7.106 -0.171) 7.108 12.008 ( 0.000 7.579 -0.367) 7.588 12.441 ( 0.000 -8.022 0.059) 8.022 12.447 ( 0.000 -8.022 -0.523) 8.039 14.468 ( 0.000 1.149 0.703) 1.347 14.484 ( 0.000 0.978 -0.743) 1.228 14.607 ( 0.000 -3.053 1.238) 3.295 14.645 ( 0.000 -4.203 -2.287) 4.785 15.082 ( 0.000 3.259 -1.588) 3.625 15.082 ( 0.000 2.923 -1.794) 3.429 15.142 ( 0.000 0.099 -1.112) 1.116 15.151 ( 0.000 0.075 -2.250) 2.251 15.890 ( 0.000 0.818 0.352) 0.890 15.895 ( 0.000 0.823 -0.026) 0.823 15.968 ( 0.000 0.524 0.862) 1.009 15.972 ( 0.000 0.220 0.511) 0.556 16.181 ( 0.000 0.848 -0.808) 1.171 16.187 ( 0.000 -0.011 -1.422) 1.422 16.195 ( 0.000 0.254 -0.243) 0.352 16.218 ( 0.000 -0.146 -2.297) 2.302 16.657 ( 0.000 1.956 2.346) 3.054 16.686 ( 0.000 0.724 -0.223) 0.758 16.728 ( 0.000 -0.642 2.839) 2.911 16.772 ( 0.000 -2.447 -1.603) 2.925 17.880 ( 0.000 -2.492 1.853) 3.105 17.883 ( 0.000 -2.438 1.469) 2.846 17.955 ( 0.000 -5.340 1.468) 5.538 17.958 ( 0.000 -5.203 1.065) 5.311 ======================= Grid point 70 (30/32) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -7.937 4.270 8.509) 12.395 1.629 ( 7.937 4.270 8.509) 12.395 1.738 ( -8.932 -2.445 1.469) 9.377 1.738 ( 8.932 -2.445 1.469) 9.377 1.922 ( -4.427 6.460 8.458) 11.527 1.922 ( 4.427 6.460 8.458) 11.527 2.003 ( -3.257 -0.430 2.518) 4.139 2.003 ( 3.257 -0.430 2.518) 4.139 2.215 ( -4.963 -1.470 4.313) 6.738 2.215 ( 4.963 -1.470 4.313) 6.738 2.362 ( -3.761 -2.838 1.976) 5.109 2.362 ( 3.761 -2.838 1.976) 5.109 2.423 ( -2.320 -2.883 -3.161) 4.867 2.423 ( 2.320 -2.883 -3.161) 4.867 2.441 ( -1.459 -1.449 -5.229) 5.619 2.441 ( 1.459 -1.449 -5.229) 5.619 2.558 ( -0.374 0.014 -1.710) 1.751 2.558 ( 0.374 0.014 -1.710) 1.751 2.641 ( -1.394 -1.967 -2.073) 3.180 2.641 ( 1.394 -1.967 -2.073) 3.180 2.704 ( -3.602 0.448 1.513) 3.933 2.704 ( 3.602 0.448 1.513) 3.933 2.777 ( -1.877 -2.589 -4.168) 5.253 2.777 ( 1.877 -2.589 -4.168) 5.253 2.898 ( -4.006 -0.127 0.710) 4.071 2.898 ( 4.006 -0.127 0.710) 4.071 2.955 ( -1.806 -2.623 -1.849) 3.683 2.955 ( 1.806 -2.623 -1.849) 3.683 2.995 ( -2.529 -2.129 -0.774) 3.395 2.995 ( 2.529 -2.129 -0.774) 3.395 3.007 ( -2.225 -2.852 -3.429) 4.984 3.007 ( 2.225 -2.852 -3.429) 4.984 3.144 ( -2.178 -0.253 0.355) 2.221 3.144 ( 2.178 -0.253 0.355) 2.221 3.181 ( -2.326 -1.191 0.876) 2.756 3.181 ( 2.326 -1.191 0.876) 2.756 3.248 ( -2.875 3.761 4.666) 6.646 3.248 ( 2.875 3.761 4.666) 6.646 3.302 ( -0.692 2.074 3.766) 4.354 3.302 ( 0.692 2.074 3.766) 4.354 3.362 ( -2.316 1.607 3.321) 4.357 3.362 ( 2.316 1.607 3.321) 4.357 3.408 ( -0.950 0.615 1.734) 2.070 3.408 ( 0.950 0.615 1.734) 2.070 3.500 ( -3.766 1.321 -0.071) 3.991 3.500 ( 3.766 1.321 -0.071) 3.991 3.566 ( -0.744 0.976 -1.425) 1.881 3.566 ( 0.744 0.976 -1.425) 1.881 3.633 ( -3.569 4.193 -4.025) 6.820 3.633 ( 3.569 4.193 -4.025) 6.820 3.729 ( -1.612 -1.339 -0.250) 2.111 3.729 ( 1.612 -1.339 -0.250) 2.111 3.790 ( -2.560 0.484 1.879) 3.213 3.790 ( 2.560 0.484 1.879) 3.213 3.854 ( -4.264 0.277 -0.323) 4.285 3.854 ( 4.264 0.277 -0.323) 4.285 3.891 ( -0.694 -0.642 -2.073) 2.278 3.891 ( 0.694 -0.642 -2.073) 2.278 3.977 ( -1.237 -2.786 -0.287) 3.061 3.977 ( 1.237 -2.786 -0.287) 3.061 4.075 ( -1.391 2.830 0.608) 3.212 4.075 ( 1.391 2.830 0.608) 3.212 4.130 ( -2.302 3.175 3.249) 5.092 4.130 ( 2.302 3.175 3.249) 5.092 4.193 ( -1.232 -0.177 -0.776) 1.466 4.193 ( 1.232 -0.177 -0.776) 1.466 4.222 ( -3.181 0.477 -1.031) 3.378 4.222 ( 3.181 0.477 -1.031) 3.378 4.322 ( -1.552 4.454 2.327) 5.259 4.322 ( 1.552 4.454 2.327) 5.259 4.403 ( -2.462 2.404 1.621) 3.804 4.403 ( 2.462 2.404 1.621) 3.804 4.427 ( -2.308 3.920 -0.799) 4.618 4.427 ( 2.308 3.920 -0.799) 4.618 4.475 ( -1.479 1.990 -0.400) 2.511 4.475 ( 1.479 1.990 -0.400) 2.511 4.569 ( -1.614 6.634 0.068) 6.828 4.569 ( 1.615 6.634 0.068) 6.828 4.661 ( -0.937 0.639 0.015) 1.135 4.661 ( 0.937 0.639 0.015) 1.135 4.765 ( -3.042 3.975 -0.417) 5.022 4.765 ( 3.042 3.975 -0.417) 5.022 4.787 ( -4.449 6.029 -2.249) 7.823 4.787 ( 4.449 6.029 -2.249) 7.823 4.901 ( -1.661 11.291 2.980) 11.796 4.901 ( 1.661 11.291 2.980) 11.796 4.966 ( -2.397 7.322 -2.195) 8.011 4.966 ( 2.397 7.322 -2.195) 8.011 5.021 ( -0.648 6.806 -2.100) 7.152 5.021 ( 0.648 6.806 -2.100) 7.152 5.109 ( -1.270 -0.882 0.466) 1.615 5.109 ( 1.270 -0.882 0.466) 1.615 5.153 ( -1.512 1.523 1.983) 2.922 5.153 ( 1.512 1.523 1.983) 2.922 5.212 ( -0.732 0.320 -2.411) 2.540 5.212 ( 0.732 0.320 -2.411) 2.540 5.273 ( -3.411 1.603 -1.431) 4.032 5.273 ( 3.411 1.603 -1.431) 4.032 5.304 ( -1.736 -1.509 -1.380) 2.683 5.304 ( 1.736 -1.509 -1.380) 2.683 5.458 ( -2.558 -2.514 1.181) 3.776 5.458 ( 2.558 -2.514 1.181) 3.776 5.523 ( -1.593 2.087 -0.290) 2.642 5.523 ( 1.593 2.087 -0.290) 2.642 5.592 ( -1.413 -2.129 -0.215) 2.565 5.592 ( 1.413 -2.129 -0.215) 2.565 5.693 ( -0.608 2.486 0.942) 2.727 5.693 ( 0.608 2.486 0.942) 2.727 5.723 ( -0.328 -2.875 -1.961) 3.496 5.723 ( 0.328 -2.875 -1.961) 3.496 5.747 ( -3.053 0.075 0.110) 3.056 5.747 ( 3.053 0.075 0.110) 3.056 5.811 ( -0.880 3.076 0.396) 3.224 5.811 ( 0.880 3.076 0.396) 3.224 5.950 ( -1.838 2.594 -3.209) 4.517 5.950 ( 1.838 2.594 -3.209) 4.517 6.088 ( -3.222 -0.008 1.036) 3.385 6.088 ( 3.222 -0.008 1.036) 3.385 6.132 ( -1.459 1.563 -3.811) 4.370 6.132 ( 1.459 1.563 -3.811) 4.370 6.236 ( -1.794 4.918 1.859) 5.555 6.236 ( 1.794 4.918 1.859) 5.555 6.269 ( -3.033 2.695 2.458) 4.744 6.269 ( 3.033 2.695 2.458) 4.744 6.366 ( -1.502 -1.136 -1.511) 2.414 6.366 ( 1.502 -1.136 -1.511) 2.414 6.460 ( -0.417 -4.203 -0.071) 4.224 6.460 ( 0.417 -4.203 -0.071) 4.224 6.516 ( -1.282 -0.610 -0.279) 1.447 6.516 ( 1.282 -0.610 -0.279) 1.447 6.556 ( -0.766 -2.293 -0.375) 2.447 6.556 ( 0.766 -2.293 -0.375) 2.447 6.836 ( -0.754 -4.815 2.372) 5.420 6.836 ( 0.754 -4.815 2.372) 5.420 6.859 ( -2.415 -1.611 3.419) 4.485 6.859 ( 2.415 -1.611 3.419) 4.485 6.922 ( -2.026 -4.774 -0.996) 5.281 6.922 ( 2.026 -4.774 -0.996) 5.281 6.939 ( -0.103 -2.405 -2.928) 3.790 6.939 ( 0.103 -2.405 -2.928) 3.790 7.126 ( -1.847 -3.302 -1.394) 4.033 7.126 ( 1.847 -3.302 -1.394) 4.033 7.224 ( -1.893 -3.047 -1.142) 3.765 7.224 ( 1.893 -3.047 -1.142) 3.765 7.327 ( -2.978 -1.485 2.531) 4.181 7.327 ( 2.978 -1.485 2.531) 4.181 7.443 ( -7.528 -5.282 -4.887) 10.414 7.443 ( 7.528 -5.282 -4.887) 10.414 7.818 ( -1.627 2.791 1.817) 3.706 7.818 ( 1.627 2.791 1.817) 3.706 7.869 ( -1.936 0.152 1.851) 2.683 7.869 ( 1.936 0.152 1.851) 2.683 8.044 ( -1.912 -1.945 2.971) 4.033 8.044 ( 1.912 -1.945 2.971) 4.033 8.078 ( -1.296 -2.398 0.233) 2.736 8.078 ( 1.296 -2.398 0.233) 2.736 8.195 ( -1.124 1.592 0.977) 2.180 8.195 ( 1.124 1.592 0.977) 2.180 8.280 ( -0.920 0.225 1.540) 1.808 8.280 ( 0.920 0.225 1.540) 1.808 8.360 ( -0.373 -3.838 4.285) 5.765 8.360 ( 0.373 -3.838 4.285) 5.765 8.389 ( -1.470 -4.067 1.394) 4.544 8.389 ( 1.470 -4.067 1.394) 4.544 8.581 ( -2.508 -0.287 -3.645) 4.434 8.581 ( 2.508 -0.287 -3.645) 4.434 8.615 ( -0.958 -2.589 -6.233) 6.817 8.615 ( 0.958 -2.589 -6.233) 6.817 8.711 ( -0.134 1.657 -2.172) 2.735 8.711 ( 0.134 1.657 -2.172) 2.735 9.069 ( -2.279 -7.331 -0.773) 7.715 9.069 ( 2.279 -7.331 -0.773) 7.715 9.410 ( -5.544 2.770 2.139) 6.556 9.410 ( 5.544 2.770 2.139) 6.556 9.463 ( -5.804 2.733 -2.482) 6.878 9.463 ( 5.804 2.733 -2.482) 6.878 9.665 ( -1.886 -2.754 8.210) 8.863 9.665 ( 1.886 -2.754 8.210) 8.863 9.794 ( -2.981 -6.016 -0.269) 6.720 9.794 ( 2.981 -6.016 -0.269) 6.720 10.498 ( -1.292 0.818 -1.691) 2.280 10.498 ( 1.292 0.818 -1.691) 2.280 10.582 ( -1.824 -3.909 -4.495) 6.230 10.582 ( 1.824 -3.909 -4.495) 6.230 11.499 ( -0.817 7.685 1.195) 7.820 11.499 ( 0.817 7.685 1.195) 7.820 11.731 ( -0.122 1.316 1.999) 2.396 11.731 ( 0.122 1.316 1.999) 2.396 12.007 ( -0.081 7.401 -0.285) 7.407 12.007 ( 0.081 7.401 -0.285) 7.407 12.444 ( -0.201 -8.030 -0.229) 8.035 12.444 ( 0.201 -8.030 -0.229) 8.035 14.488 ( -0.740 1.364 0.302) 1.581 14.488 ( 0.740 1.364 0.302) 1.581 14.614 ( -1.408 -3.945 -0.874) 4.279 14.614 ( 1.408 -3.945 -0.874) 4.279 15.082 ( -0.031 3.132 -1.730) 3.578 15.082 ( 0.031 3.132 -1.730) 3.578 15.145 ( -0.308 0.050 -1.640) 1.670 15.145 ( 0.308 0.050 -1.640) 1.670 15.911 ( -0.332 1.524 0.229) 1.577 15.911 ( 0.332 1.524 0.229) 1.577 15.954 ( -0.322 -0.346 0.661) 0.812 15.954 ( 0.322 -0.346 0.661) 0.812 16.182 ( -0.167 0.589 -0.801) 1.008 16.182 ( 0.167 0.589 -0.801) 1.008 16.208 ( -0.681 -0.121 -1.611) 1.753 16.208 ( 0.681 -0.121 -1.611) 1.753 16.669 ( -0.848 1.567 1.756) 2.502 16.669 ( 0.848 1.567 1.756) 2.502 16.752 ( -1.374 -1.756 -0.061) 2.230 16.752 ( 1.374 -1.756 -0.061) 2.230 17.886 ( -0.108 -2.184 1.637) 2.731 17.886 ( 0.108 -2.184 1.637) 2.731 17.952 ( -0.102 -5.545 1.286) 5.693 17.952 ( 0.102 -5.545 1.286) 5.693 ======================= Grid point 72 (31/32) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 -1.721 2.195) 2.789 1.556 ( 0.000 1.721 2.195) 2.789 1.821 ( 0.000 -3.296 2.085) 3.900 1.821 ( 0.000 3.296 2.085) 3.900 2.040 ( 0.000 -0.222 8.573) 8.576 2.040 ( 0.000 0.222 8.573) 8.576 2.088 ( 0.000 -8.752 5.302) 10.233 2.088 ( 0.000 8.752 5.302) 10.233 2.147 ( 0.000 -8.104 5.621) 9.863 2.147 ( 0.000 8.104 5.621) 9.863 2.262 ( 0.000 -5.440 -0.903) 5.514 2.262 ( 0.000 5.440 -0.903) 5.514 2.355 ( 0.000 -1.857 -2.335) 2.983 2.355 ( 0.000 1.857 -2.335) 2.983 2.450 ( 0.000 -1.993 -0.378) 2.028 2.450 ( 0.000 1.993 -0.378) 2.028 2.491 ( 0.000 -1.180 -0.010) 1.180 2.491 ( 0.000 1.180 -0.010) 1.180 2.658 ( 0.000 -0.508 -0.626) 0.806 2.658 ( 0.000 0.508 -0.625) 0.806 2.733 ( 0.000 -2.885 -5.199) 5.946 2.733 ( 0.000 2.885 -5.199) 5.946 2.781 ( 0.000 -1.920 1.756) 2.602 2.781 ( 0.000 1.920 1.756) 2.602 2.855 ( 0.000 -2.395 -3.717) 4.422 2.855 ( 0.000 2.395 -3.717) 4.422 2.870 ( 0.000 -0.991 -3.953) 4.075 2.870 ( 0.000 0.991 -3.953) 4.075 2.954 ( 0.000 -1.181 -3.669) 3.855 2.954 ( 0.000 1.181 -3.669) 3.855 3.032 ( 0.000 -0.512 -0.971) 1.098 3.032 ( 0.000 0.512 -0.971) 1.098 3.109 ( 0.000 -0.363 -1.560) 1.601 3.109 ( 0.000 0.363 -1.560) 1.601 3.175 ( 0.000 -1.359 1.014) 1.696 3.175 ( 0.000 1.359 1.014) 1.696 3.317 ( 0.000 -1.150 1.282) 1.722 3.317 ( 0.000 1.150 1.282) 1.722 3.331 ( 0.000 -2.618 3.068) 4.033 3.331 ( 0.000 2.618 3.068) 4.033 3.374 ( 0.000 -0.506 4.749) 4.776 3.374 ( 0.000 0.506 4.749) 4.776 3.405 ( 0.000 -1.219 3.545) 3.749 3.405 ( 0.000 1.219 3.545) 3.749 3.525 ( 0.000 -4.916 1.166) 5.052 3.525 ( 0.000 4.916 1.166) 5.052 3.604 ( 0.000 -0.317 -2.837) 2.854 3.604 ( 0.000 0.317 -2.837) 2.854 3.682 ( 0.000 -0.885 -0.821) 1.207 3.682 ( 0.000 0.885 -0.821) 1.207 3.709 ( 0.000 -1.926 -1.951) 2.742 3.709 ( 0.000 1.926 -1.951) 2.742 3.766 ( 0.000 -0.509 -0.709) 0.872 3.766 ( 0.000 0.509 -0.709) 0.872 3.838 ( 0.000 -1.295 1.937) 2.330 3.838 ( 0.000 1.295 1.937) 2.330 3.923 ( 0.000 -0.405 -3.110) 3.137 3.923 ( 0.000 0.405 -3.110) 3.137 4.014 ( 0.000 -0.227 0.853) 0.883 4.014 ( 0.000 0.227 0.853) 0.883 4.046 ( 0.000 -2.164 1.773) 2.798 4.046 ( 0.000 2.164 1.773) 2.798 4.120 ( 0.000 -1.066 -1.018) 1.474 4.120 ( 0.000 1.066 -1.018) 1.474 4.175 ( 0.000 -0.541 0.131) 0.557 4.175 ( 0.000 0.541 0.131) 0.557 4.260 ( 0.000 -1.660 0.913) 1.895 4.260 ( 0.000 1.660 0.913) 1.895 4.399 ( 0.000 -2.503 5.980) 6.483 4.399 ( 0.000 2.503 5.980) 6.483 4.436 ( 0.000 -0.284 -1.920) 1.941 4.436 ( 0.000 0.284 -1.920) 1.941 4.465 ( 0.000 -0.678 1.770) 1.896 4.465 ( 0.000 0.678 1.770) 1.896 4.550 ( 0.000 -4.332 -1.800) 4.691 4.550 ( 0.000 4.332 -1.800) 4.691 4.605 ( 0.000 -1.131 -1.277) 1.706 4.605 ( 0.000 1.131 -1.277) 1.706 4.671 ( 0.000 -2.280 2.358) 3.280 4.671 ( 0.000 2.280 2.358) 3.280 4.760 ( 0.000 -2.205 -1.382) 2.603 4.760 ( 0.000 2.205 -1.382) 2.603 4.895 ( 0.000 -1.677 -2.844) 3.301 4.895 ( 0.000 1.677 -2.844) 3.301 5.012 ( 0.000 -1.534 4.395) 4.655 5.012 ( 0.000 1.534 4.395) 4.655 5.057 ( 0.000 -3.642 0.407) 3.665 5.057 ( 0.000 3.642 0.407) 3.665 5.083 ( 0.000 -1.014 -3.233) 3.388 5.083 ( 0.000 1.014 -3.233) 3.388 5.135 ( 0.000 -2.613 3.179) 4.115 5.135 ( 0.000 2.613 3.179) 4.115 5.193 ( 0.000 -2.711 0.469) 2.751 5.193 ( 0.000 2.711 0.469) 2.751 5.280 ( 0.000 -2.690 -4.750) 5.459 5.280 ( 0.000 2.690 -4.750) 5.459 5.309 ( 0.000 -0.074 0.247) 0.258 5.309 ( 0.000 0.074 0.247) 0.258 5.365 ( 0.000 -5.436 0.346) 5.447 5.365 ( 0.000 5.436 0.346) 5.447 5.424 ( 0.000 -9.412 -0.691) 9.437 5.424 ( 0.000 9.412 -0.691) 9.437 5.443 ( 0.000 -1.560 -1.748) 2.343 5.443 ( 0.000 1.560 -1.748) 2.343 5.594 ( 0.000 -1.079 -1.265) 1.663 5.594 ( 0.000 1.079 -1.265) 1.663 5.644 ( 0.000 -0.187 -0.777) 0.799 5.644 ( 0.000 0.187 -0.777) 0.799 5.672 ( 0.000 -1.444 2.332) 2.743 5.672 ( 0.000 1.444 2.332) 2.743 5.765 ( 0.000 -2.227 -0.938) 2.416 5.765 ( 0.000 2.227 -0.938) 2.416 5.852 ( 0.000 -1.184 1.864) 2.209 5.852 ( 0.000 1.184 1.864) 2.209 6.002 ( 0.000 -2.037 -0.269) 2.055 6.002 ( 0.000 2.037 -0.269) 2.055 6.030 ( 0.000 -5.045 -4.566) 6.804 6.030 ( 0.000 5.045 -4.566) 6.804 6.167 ( 0.000 -2.008 -1.459) 2.482 6.167 ( 0.000 2.008 -1.459) 2.482 6.288 ( 0.000 -0.027 2.084) 2.084 6.288 ( 0.000 0.027 2.084) 2.084 6.293 ( 0.000 -2.018 2.009) 2.847 6.293 ( 0.000 2.018 2.009) 2.847 6.368 ( 0.000 -1.685 -1.367) 2.170 6.368 ( 0.000 1.685 -1.367) 2.170 6.404 ( 0.000 -0.525 -1.079) 1.200 6.404 ( 0.000 0.525 -1.079) 1.200 6.504 ( 0.000 -1.303 2.411) 2.741 6.504 ( 0.000 1.303 2.411) 2.741 6.557 ( 0.000 -0.852 -1.049) 1.352 6.557 ( 0.000 0.853 -1.049) 1.352 6.725 ( 0.000 -1.760 2.460) 3.025 6.725 ( 0.000 1.760 2.460) 3.025 6.763 ( 0.000 -1.399 3.256) 3.544 6.763 ( 0.000 1.399 3.256) 3.544 6.949 ( 0.000 -0.594 -0.379) 0.705 6.949 ( 0.000 0.594 -0.379) 0.705 6.999 ( 0.000 -1.713 -3.225) 3.651 6.999 ( 0.000 1.713 -3.225) 3.651 7.025 ( 0.000 -0.764 -1.570) 1.746 7.025 ( 0.000 0.764 -1.570) 1.746 7.181 ( 0.000 -2.064 -1.876) 2.789 7.181 ( 0.000 2.064 -1.876) 2.789 7.310 ( 0.000 -0.209 -0.001) 0.209 7.310 ( 0.000 0.209 -0.001) 0.209 7.392 ( 0.000 -6.255 -5.482) 8.317 7.392 ( 0.000 6.255 -5.482) 8.317 7.819 ( 0.000 -0.683 1.445) 1.598 7.819 ( 0.000 0.683 1.445) 1.598 7.926 ( 0.000 -1.446 1.559) 2.126 7.926 ( 0.000 1.446 1.559) 2.126 7.989 ( 0.000 -0.757 4.137) 4.206 7.989 ( 0.000 0.757 4.137) 4.206 8.076 ( 0.000 -1.463 1.426) 2.043 8.076 ( 0.000 1.463 1.426) 2.043 8.175 ( 0.000 -1.004 0.454) 1.102 8.175 ( 0.000 1.004 0.454) 1.102 8.284 ( 0.000 -0.544 4.272) 4.306 8.284 ( 0.000 0.544 4.272) 4.306 8.303 ( 0.000 -0.401 2.552) 2.583 8.303 ( 0.000 0.401 2.552) 2.583 8.370 ( 0.000 -1.305 -0.981) 1.632 8.370 ( 0.000 1.305 -0.981) 1.632 8.555 ( 0.000 -1.211 -5.937) 6.059 8.555 ( 0.000 1.211 -5.937) 6.059 8.589 ( 0.000 -0.243 -4.345) 4.352 8.589 ( 0.000 0.243 -4.345) 4.352 8.805 ( 0.000 -1.003 -0.951) 1.382 8.805 ( 0.000 1.003 -0.951) 1.382 8.943 ( 0.000 -4.058 -0.914) 4.160 8.943 ( 0.000 4.058 -0.914) 4.160 9.444 ( 0.000 -3.154 2.533) 4.045 9.444 ( 0.000 3.154 2.533) 4.045 9.517 ( 0.000 -2.503 -1.058) 2.717 9.517 ( 0.000 2.503 -1.058) 2.717 9.648 ( 0.000 -2.163 5.992) 6.371 9.648 ( 0.000 2.163 5.992) 6.371 9.661 ( 0.000 -6.748 5.038) 8.421 9.661 ( 0.000 6.748 5.038) 8.421 10.512 ( 0.000 -0.698 -4.594) 4.647 10.512 ( 0.000 0.698 -4.594) 4.647 10.536 ( 0.000 -1.949 -4.991) 5.358 10.536 ( 0.000 1.949 -4.991) 5.358 11.643 ( 0.000 -3.135 1.512) 3.481 11.643 ( 0.000 3.135 1.512) 3.481 11.672 ( 0.000 -2.533 1.413) 2.900 11.672 ( 0.000 2.533 1.413) 2.900 12.224 ( 0.000 -3.826 -0.029) 3.826 12.224 ( 0.000 3.826 -0.029) 3.826 12.243 ( 0.000 -3.834 -0.266) 3.844 12.243 ( 0.000 3.834 -0.266) 3.844 14.497 ( 0.000 -0.808 -0.115) 0.816 14.497 ( 0.000 0.808 -0.115) 0.816 14.576 ( 0.000 -1.323 -0.127) 1.330 14.576 ( 0.000 1.323 -0.127) 1.330 15.124 ( 0.000 -0.488 -1.923) 1.984 15.124 ( 0.000 0.488 -1.923) 1.984 15.139 ( 0.000 -0.763 -2.094) 2.228 15.139 ( 0.000 0.763 -2.094) 2.228 15.901 ( 0.000 -0.201 0.423) 0.469 15.901 ( 0.000 0.201 0.423) 0.469 15.975 ( 0.000 -0.069 0.596) 0.600 15.975 ( 0.000 0.069 0.596) 0.600 16.191 ( 0.000 -0.203 -0.744) 0.771 16.191 ( 0.000 0.203 -0.744) 0.771 16.205 ( 0.000 -0.921 -1.999) 2.201 16.205 ( 0.000 0.921 -1.999) 2.201 16.699 ( 0.000 -0.397 1.274) 1.334 16.699 ( 0.000 0.397 1.274) 1.334 16.720 ( 0.000 -1.388 0.852) 1.629 16.720 ( 0.000 1.388 0.852) 1.629 17.854 ( 0.000 -0.121 1.525) 1.530 17.854 ( 0.000 0.121 1.525) 1.530 17.894 ( 0.000 -0.126 1.362) 1.367 17.894 ( 0.000 0.126 1.362) 1.367 ======================= Grid point 74 (32/32) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -8.679 -2.061 2.887) 9.376 1.685 ( -8.421 1.774 2.887) 9.077 1.685 ( 8.421 -1.774 2.887) 9.077 1.685 ( 8.679 2.062 2.887) 9.377 2.041 ( -2.656 -2.203 4.595) 5.746 2.041 ( 2.514 -2.161 4.595) 5.666 2.041 ( -2.514 2.161 4.595) 5.666 2.041 ( 2.656 2.203 4.595) 5.746 2.216 ( -3.157 -6.830 4.026) 8.533 2.216 ( 3.133 -6.827 4.026) 8.522 2.216 ( -3.133 6.827 4.026) 8.522 2.216 ( 3.157 6.830 4.026) 8.533 2.404 ( -2.058 -2.137 -0.896) 3.099 2.404 ( 0.624 -1.899 -0.896) 2.191 2.404 ( -0.624 1.899 -0.896) 2.191 2.404 ( 2.058 2.137 -0.896) 3.099 2.589 ( -3.821 -1.727 -1.472) 4.445 2.589 ( -3.488 -1.541 -1.472) 4.087 2.589 ( 3.488 1.541 -1.472) 4.087 2.589 ( 3.821 1.727 -1.472) 4.445 2.742 ( -1.151 -1.888 -2.296) 3.188 2.742 ( 0.844 -1.847 -2.296) 3.065 2.742 ( -0.844 1.847 -2.296) 3.065 2.742 ( 1.151 1.888 -2.296) 3.188 2.899 ( -2.766 -0.941 -2.448) 3.812 2.899 ( -2.465 0.702 -2.448) 3.544 2.899 ( 2.465 -0.702 -2.448) 3.544 2.899 ( 2.766 0.941 -2.448) 3.812 2.972 ( -2.751 -0.491 -2.476) 3.733 2.972 ( -2.743 0.481 -2.476) 3.727 2.972 ( 2.743 -0.481 -2.476) 3.727 2.972 ( 2.751 0.491 -2.476) 3.733 3.153 ( -2.339 -0.944 -0.405) 2.555 3.153 ( -1.610 -0.414 -0.405) 1.710 3.153 ( 1.610 0.414 -0.405) 1.710 3.153 ( 2.339 0.944 -0.405) 2.555 3.326 ( -0.984 -1.120 3.720) 4.007 3.326 ( 0.700 -1.065 3.720) 3.932 3.326 ( -0.700 1.065 3.720) 3.932 3.326 ( 0.984 1.120 3.720) 4.007 3.379 ( -1.439 -1.667 2.547) 3.367 3.379 ( 1.172 -1.614 2.547) 3.235 3.379 ( -1.172 1.614 2.547) 3.235 3.379 ( 1.439 1.667 2.547) 3.367 3.559 ( -2.307 -2.154 -0.248) 3.166 3.559 ( 1.986 -2.073 -0.248) 2.882 3.559 ( -1.986 2.073 -0.248) 2.882 3.559 ( 2.307 2.154 -0.248) 3.166 3.691 ( -1.045 -1.823 -2.189) 3.035 3.691 ( 0.921 -1.806 -2.189) 2.984 3.691 ( -0.921 1.806 -2.189) 2.984 3.691 ( 1.045 1.823 -2.189) 3.035 3.823 ( -2.845 -2.439 2.221) 4.356 3.823 ( 2.842 -2.439 2.221) 4.354 3.823 ( -2.842 2.439 2.221) 4.354 3.823 ( 2.845 2.439 2.221) 4.356 3.913 ( -1.537 -2.551 -2.396) 3.823 3.913 ( 1.507 -2.547 -2.396) 3.807 3.913 ( -1.507 2.547 -2.396) 3.807 3.913 ( 1.537 2.551 -2.396) 3.823 4.132 ( -0.945 -2.037 1.206) 2.549 4.132 ( 0.775 -2.019 1.206) 2.476 4.132 ( -0.775 2.019 1.206) 2.476 4.132 ( 0.945 2.037 1.206) 2.549 4.216 ( -3.879 -1.307 -0.414) 4.114 4.216 ( -3.814 1.258 -0.414) 4.037 4.216 ( 3.814 -1.258 -0.414) 4.037 4.216 ( 3.879 1.307 -0.414) 4.114 4.401 ( -1.633 -2.166 3.289) 4.263 4.401 ( 1.367 -2.120 3.289) 4.144 4.401 ( -1.367 2.120 3.289) 4.144 4.401 ( 1.633 2.166 3.289) 4.263 4.503 ( -2.465 -0.873 -2.931) 3.928 4.503 ( -2.024 -0.517 -2.931) 3.599 4.503 ( 2.024 0.517 -2.931) 3.599 4.503 ( 2.465 0.873 -2.931) 3.928 4.652 ( -1.791 -0.981 2.265) 3.050 4.652 ( -1.636 -0.911 2.265) 2.938 4.652 ( 1.636 0.911 2.265) 2.938 4.652 ( 1.791 0.981 2.265) 3.050 4.829 ( -3.713 -1.457 -1.192) 4.163 4.829 ( -2.494 -0.480 -1.192) 2.806 4.829 ( 2.494 0.480 -1.192) 2.806 4.829 ( 3.713 1.457 -1.192) 4.163 5.036 ( -1.514 -2.459 -0.008) 2.887 5.036 ( 1.478 -2.453 -0.008) 2.864 5.036 ( -1.478 2.453 -0.008) 2.864 5.036 ( 1.514 2.459 -0.008) 2.887 5.116 ( -1.673 -4.390 2.051) 5.126 5.116 ( 1.599 -4.383 2.051) 5.097 5.116 ( -1.599 4.383 2.051) 5.097 5.116 ( 1.673 4.390 2.051) 5.126 5.233 ( -2.369 -2.738 -2.467) 4.381 5.233 ( 0.461 -2.479 -2.467) 3.528 5.233 ( -0.461 2.479 -2.467) 3.528 5.233 ( 2.369 2.738 -2.467) 4.381 5.329 ( -1.409 -2.436 0.891) 2.952 5.329 ( 0.949 -2.380 0.891) 2.713 5.329 ( -0.949 2.380 0.891) 2.713 5.329 ( 1.409 2.436 0.891) 2.952 5.434 ( -0.598 -8.723 -1.933) 8.954 5.434 ( 0.598 -8.723 -1.933) 8.954 5.434 ( -0.598 8.723 -1.933) 8.954 5.434 ( 0.598 8.723 -1.933) 8.954 5.611 ( -0.785 -4.986 0.085) 5.048 5.611 ( -0.007 -4.970 0.085) 4.971 5.611 ( 0.007 4.970 0.085) 4.971 5.611 ( 0.785 4.986 0.085) 5.048 5.726 ( -3.149 -1.116 -0.402) 3.365 5.726 ( -2.538 0.614 -0.402) 2.642 5.726 ( 2.538 -0.614 -0.402) 2.642 5.726 ( 3.149 1.116 -0.402) 3.365 5.905 ( -3.412 -4.622 0.094) 5.746 5.905 ( 3.134 -4.573 0.094) 5.544 5.905 ( -3.134 4.573 0.094) 5.544 5.905 ( 3.412 4.622 0.094) 5.746 6.122 ( -3.178 -2.594 -2.319) 4.712 6.122 ( 1.349 -2.159 -2.319) 3.443 6.122 ( -1.349 2.159 -2.319) 3.443 6.122 ( 3.178 2.594 -2.319) 4.712 6.299 ( -0.292 -1.396 2.596) 2.962 6.299 ( 0.289 -1.396 2.596) 2.962 6.299 ( -0.289 1.396 2.596) 2.962 6.299 ( 0.292 1.396 2.596) 2.962 6.390 ( -0.679 -2.177 -1.910) 2.975 6.390 ( 0.286 -2.155 -1.910) 2.894 6.390 ( -0.286 2.155 -1.910) 2.894 6.390 ( 0.679 2.177 -1.910) 2.975 6.517 ( -1.530 -0.880 0.802) 1.939 6.517 ( -0.384 -0.475 0.802) 1.008 6.517 ( 0.384 0.475 0.802) 1.008 6.517 ( 1.530 0.880 0.802) 1.939 6.741 ( -1.039 -1.460 2.199) 2.837 6.741 ( 0.765 -1.417 2.199) 2.726 6.741 ( -0.765 1.417 2.199) 2.726 6.741 ( 1.039 1.460 2.199) 2.837 6.953 ( -0.774 -1.692 -0.671) 1.978 6.953 ( 0.708 -1.685 -0.671) 1.947 6.953 ( -0.708 1.685 -0.671) 1.947 6.953 ( 0.774 1.692 -0.671) 1.978 7.139 ( -3.963 -4.093 -2.303) 6.146 7.139 ( 1.909 -3.707 -2.304) 4.763 7.139 ( -1.909 3.707 -2.303) 4.763 7.139 ( 3.963 4.093 -2.303) 6.146 7.341 ( -2.315 -3.076 -2.338) 4.504 7.341 ( 1.621 -2.963 -2.338) 4.108 7.341 ( -1.621 2.963 -2.338) 4.108 7.341 ( 2.315 3.076 -2.338) 4.504 7.859 ( -3.139 -0.896 1.719) 3.689 7.859 ( -2.578 -0.045 1.719) 3.099 7.859 ( 2.578 0.045 1.719) 3.099 7.859 ( 3.139 0.896 1.719) 3.689 8.035 ( -2.392 -1.181 1.486) 3.054 8.035 ( -0.414 -0.083 1.486) 1.545 8.035 ( 0.414 0.083 1.486) 1.545 8.035 ( 2.392 1.181 1.486) 3.054 8.248 ( -1.590 -2.648 3.722) 4.837 8.248 ( -0.430 -2.535 3.722) 4.524 8.248 ( 0.430 2.535 3.722) 4.524 8.248 ( 1.590 2.648 3.722) 4.837 8.327 ( -2.170 -1.423 0.077) 2.596 8.327 ( 0.940 -1.033 0.077) 1.399 8.327 ( -0.940 1.033 0.077) 1.399 8.327 ( 2.170 1.423 0.077) 2.596 8.574 ( -1.124 -0.548 -5.019) 5.173 8.574 ( -0.331 0.108 -5.019) 5.031 8.574 ( 0.331 -0.108 -5.019) 5.031 8.574 ( 1.124 0.548 -5.019) 5.173 8.869 ( -1.900 -10.100 -0.884) 10.315 8.869 ( 0.137 -10.055 -0.884) 10.095 8.869 ( -0.137 10.055 -0.884) 10.095 8.869 ( 1.900 10.100 -0.884) 10.315 9.487 ( -2.126 -2.972 0.601) 3.703 9.487 ( 1.527 -2.878 0.601) 3.313 9.487 ( -1.527 2.878 0.601) 3.313 9.487 ( 2.126 2.972 0.601) 3.703 9.654 ( -0.414 -4.923 5.604) 7.471 9.654 ( 0.414 -4.923 5.604) 7.471 9.654 ( -0.414 4.923 5.604) 7.471 9.654 ( 0.414 4.923 5.604) 7.471 10.524 ( -0.691 -1.814 -4.826) 5.202 10.524 ( 0.573 -1.804 -4.826) 5.184 10.524 ( -0.573 1.804 -4.826) 5.184 10.524 ( 0.691 1.814 -4.826) 5.202 11.657 ( -0.468 -6.361 1.465) 6.544 11.657 ( 0.358 -6.359 1.465) 6.536 11.657 ( -0.358 6.359 1.465) 6.536 11.657 ( 0.468 6.361 1.465) 6.544 12.234 ( -0.223 -11.253 -0.153) 11.257 12.234 ( 0.194 -11.253 -0.153) 11.256 12.234 ( -0.194 11.253 -0.153) 11.256 12.234 ( 0.223 11.253 -0.153) 11.257 14.536 ( -1.627 -2.951 -0.131) 3.372 14.536 ( -0.149 -2.837 -0.131) 2.844 14.536 ( 0.149 2.837 -0.131) 2.844 14.536 ( 1.627 2.951 -0.131) 3.372 15.131 ( -0.256 -1.413 -2.007) 2.468 15.131 ( 0.135 -1.408 -2.007) 2.456 15.131 ( -0.135 1.408 -2.007) 2.456 15.131 ( 0.256 1.413 -2.007) 2.468 15.939 ( -1.907 -0.755 0.547) 2.122 15.939 ( -1.665 -0.595 0.547) 1.851 15.939 ( 1.665 0.595 0.547) 1.851 15.939 ( 1.907 0.755 0.547) 2.122 16.198 ( -0.438 -0.754 -1.400) 1.650 16.198 ( 0.385 -0.747 -1.400) 1.633 16.198 ( -0.385 0.747 -1.400) 1.633 16.198 ( 0.438 0.754 -1.400) 1.650 16.710 ( -0.398 -2.072 1.065) 2.363 16.710 ( 0.236 -2.066 1.065) 2.336 16.710 ( -0.236 2.066 1.065) 2.336 16.710 ( 0.398 2.072 1.065) 2.363 17.874 ( -0.621 -1.320 1.442) 2.051 17.874 ( -0.442 -1.302 1.442) 1.992 17.874 ( 0.442 1.302 1.442) 1.992 17.874 ( 0.621 1.320 1.442) 2.051 =================== 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 3/18144 10.0 260.959 443.433 477.038 0.000 0.000 0.000 3/18144 20.0 33.562 57.765 75.071 0.000 0.000 0.000 3/18144 30.0 9.668 16.491 22.520 0.000 0.000 0.000 3/18144 40.0 4.566 7.762 10.599 0.000 0.000 0.000 3/18144 50.0 2.772 4.709 6.379 0.000 0.000 0.000 3/18144 60.0 1.939 3.300 4.426 0.000 0.000 0.000 3/18144 70.0 1.480 2.528 3.354 0.000 0.000 0.000 3/18144 80.0 1.196 2.052 2.694 0.000 0.000 0.000 3/18144 90.0 1.005 1.732 2.252 0.000 0.000 0.000 3/18144 100.0 0.868 1.503 1.938 0.000 0.000 0.000 3/18144 110.0 0.766 1.332 1.704 0.000 0.000 0.000 3/18144 120.0 0.686 1.198 1.522 0.000 0.000 0.000 3/18144 130.0 0.622 1.091 1.377 0.000 0.000 0.000 3/18144 140.0 0.570 1.003 1.259 0.000 0.000 0.000 3/18144 150.0 0.526 0.929 1.161 0.000 0.000 0.000 3/18144 160.0 0.489 0.866 1.077 0.000 0.000 0.000 3/18144 170.0 0.457 0.811 1.005 0.000 0.000 0.000 3/18144 180.0 0.429 0.763 0.943 0.000 0.000 0.000 3/18144 190.0 0.404 0.721 0.888 0.000 0.000 0.000 3/18144 200.0 0.382 0.684 0.840 0.000 0.000 0.000 3/18144 210.0 0.363 0.650 0.797 0.000 0.000 0.000 3/18144 220.0 0.345 0.620 0.758 0.000 0.000 0.000 3/18144 230.0 0.330 0.592 0.723 0.000 0.000 0.000 3/18144 240.0 0.315 0.567 0.691 0.000 0.000 0.000 3/18144 250.0 0.302 0.544 0.662 0.000 0.000 0.000 3/18144 260.0 0.290 0.523 0.635 0.000 0.000 0.000 3/18144 270.0 0.279 0.503 0.611 0.000 0.000 0.000 3/18144 280.0 0.268 0.485 0.588 0.000 0.000 0.000 3/18144 290.0 0.259 0.468 0.567 0.000 0.000 0.000 3/18144 300.0 0.250 0.452 0.547 0.000 0.000 0.000 3/18144 310.0 0.242 0.438 0.529 0.000 0.000 0.000 3/18144 320.0 0.234 0.424 0.512 0.000 0.000 0.000 3/18144 330.0 0.227 0.411 0.496 0.000 0.000 0.000 3/18144 340.0 0.220 0.399 0.481 0.000 0.000 0.000 3/18144 350.0 0.214 0.388 0.467 0.000 0.000 0.000 3/18144 360.0 0.207 0.377 0.454 0.000 0.000 0.000 3/18144 370.0 0.202 0.367 0.442 0.000 0.000 0.000 3/18144 380.0 0.196 0.357 0.430 0.000 0.000 0.000 3/18144 390.0 0.191 0.348 0.419 0.000 0.000 0.000 3/18144 400.0 0.186 0.339 0.408 0.000 0.000 0.000 3/18144 410.0 0.182 0.331 0.398 0.000 0.000 0.000 3/18144 420.0 0.177 0.323 0.388 0.000 0.000 0.000 3/18144 430.0 0.173 0.316 0.379 0.000 0.000 0.000 3/18144 440.0 0.169 0.309 0.371 0.000 0.000 0.000 3/18144 450.0 0.166 0.302 0.362 0.000 0.000 0.000 3/18144 460.0 0.162 0.295 0.354 0.000 0.000 0.000 3/18144 470.0 0.158 0.289 0.347 0.000 0.000 0.000 3/18144 480.0 0.155 0.283 0.339 0.000 0.000 0.000 3/18144 490.0 0.152 0.277 0.332 0.000 0.000 0.000 3/18144 500.0 0.149 0.272 0.326 0.000 0.000 0.000 3/18144 510.0 0.146 0.266 0.319 0.000 0.000 0.000 3/18144 520.0 0.143 0.261 0.313 0.000 0.000 0.000 3/18144 530.0 0.140 0.256 0.307 0.000 0.000 0.000 3/18144 540.0 0.138 0.252 0.302 0.000 0.000 0.000 3/18144 550.0 0.135 0.247 0.296 0.000 0.000 0.000 3/18144 560.0 0.133 0.243 0.291 0.000 0.000 0.000 3/18144 570.0 0.131 0.238 0.286 0.000 0.000 0.000 3/18144 580.0 0.128 0.234 0.281 0.000 0.000 0.000 3/18144 590.0 0.126 0.230 0.276 0.000 0.000 0.000 3/18144 600.0 0.124 0.227 0.271 0.000 0.000 0.000 3/18144 610.0 0.122 0.223 0.267 0.000 0.000 0.000 3/18144 620.0 0.120 0.219 0.263 0.000 0.000 0.000 3/18144 630.0 0.118 0.216 0.258 0.000 0.000 0.000 3/18144 640.0 0.116 0.213 0.254 0.000 0.000 0.000 3/18144 650.0 0.114 0.209 0.250 0.000 0.000 0.000 3/18144 660.0 0.113 0.206 0.247 0.000 0.000 0.000 3/18144 670.0 0.111 0.203 0.243 0.000 0.000 0.000 3/18144 680.0 0.109 0.200 0.239 0.000 0.000 0.000 3/18144 690.0 0.108 0.197 0.236 0.000 0.000 0.000 3/18144 700.0 0.106 0.194 0.232 0.000 0.000 0.000 3/18144 710.0 0.105 0.192 0.229 0.000 0.000 0.000 3/18144 720.0 0.103 0.189 0.226 0.000 0.000 0.000 3/18144 730.0 0.102 0.186 0.223 0.000 0.000 0.000 3/18144 740.0 0.100 0.184 0.220 0.000 0.000 0.000 3/18144 750.0 0.099 0.182 0.217 0.000 0.000 0.000 3/18144 760.0 0.098 0.179 0.214 0.000 0.000 0.000 3/18144 770.0 0.097 0.177 0.211 0.000 0.000 0.000 3/18144 780.0 0.095 0.175 0.209 0.000 0.000 0.000 3/18144 790.0 0.094 0.172 0.206 0.000 0.000 0.000 3/18144 800.0 0.093 0.170 0.203 0.000 0.000 0.000 3/18144 810.0 0.092 0.168 0.201 0.000 0.000 0.000 3/18144 820.0 0.091 0.166 0.199 0.000 0.000 0.000 3/18144 830.0 0.090 0.164 0.196 0.000 0.000 0.000 3/18144 840.0 0.089 0.162 0.194 0.000 0.000 0.000 3/18144 850.0 0.087 0.160 0.192 0.000 0.000 0.000 3/18144 860.0 0.086 0.158 0.189 0.000 0.000 0.000 3/18144 870.0 0.085 0.157 0.187 0.000 0.000 0.000 3/18144 880.0 0.085 0.155 0.185 0.000 0.000 0.000 3/18144 890.0 0.084 0.153 0.183 0.000 0.000 0.000 3/18144 900.0 0.083 0.151 0.181 0.000 0.000 0.000 3/18144 910.0 0.082 0.150 0.179 0.000 0.000 0.000 3/18144 920.0 0.081 0.148 0.177 0.000 0.000 0.000 3/18144 930.0 0.080 0.147 0.175 0.000 0.000 0.000 3/18144 940.0 0.079 0.145 0.173 0.000 0.000 0.000 3/18144 950.0 0.078 0.144 0.171 0.000 0.000 0.000 3/18144 960.0 0.077 0.142 0.170 0.000 0.000 0.000 3/18144 970.0 0.077 0.141 0.168 0.000 0.000 0.000 3/18144 980.0 0.076 0.139 0.166 0.000 0.000 0.000 3/18144 990.0 0.075 0.138 0.164 0.000 0.000 0.000 3/18144 1000.0 0.074 0.136 0.163 0.000 0.000 0.000 3/18144 Thermal conductivity related properties were written into "kappa-m267.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:15:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|