----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:31:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.602676790000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.373797819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.159584949999999 Atomic positions (fractional): *1 H 0.93327048918697 0.71200960501522 0.42867762493844 1.008 2 H 0.43327048918697 0.78799039498478 0.57132237506156 1.008 3 H 0.06672951081303 0.21200960501522 0.07132237506156 1.008 4 H 0.56672951081303 0.28799039498478 0.92867762493844 1.008 5 H 0.06672951081303 0.28799039498478 0.57132237506156 1.008 6 H 0.56672951081303 0.21200960501522 0.42867762493844 1.008 7 H 0.93327048918697 0.78799039498478 0.92867762493844 1.008 8 H 0.43327048918697 0.71200960501522 0.07132237506156 1.008 *9 H 0.97731376915045 0.61645440233233 0.24720123023353 1.008 10 H 0.47731376915045 0.88354559766767 0.75279876976647 1.008 11 H 0.02268623084955 0.11645440233233 0.25279876976647 1.008 12 H 0.52268623084955 0.38354559766767 0.74720123023353 1.008 13 H 0.02268623084955 0.38354559766767 0.75279876976647 1.008 14 H 0.52268623084955 0.11645440233233 0.24720123023353 1.008 15 H 0.97731376915045 0.88354559766767 0.74720123023353 1.008 16 H 0.47731376915045 0.61645440233233 0.25279876976647 1.008 *17 H 0.10542535791044 0.97919176244466 0.41100988132681 1.008 18 H 0.60542535791043 0.52080823755534 0.58899011867319 1.008 19 H 0.89457464208957 0.47919176244466 0.08899011867319 1.008 20 H 0.39457464208956 0.02080823755534 0.91100988132681 1.008 21 H 0.89457464208957 0.02080823755534 0.58899011867319 1.008 22 H 0.39457464208956 0.47919176244466 0.41100988132681 1.008 23 H 0.10542535791044 0.52080823755534 0.91100988132681 1.008 24 H 0.60542535791043 0.97919176244466 0.08899011867319 1.008 *25 H 0.65131732375285 0.89314565721656 0.47574941123918 1.008 26 H 0.15131732375285 0.60685434278344 0.52425058876082 1.008 27 H 0.34868267624715 0.39314565721656 0.02425058876082 1.008 28 H 0.84868267624715 0.10685434278344 0.97574941123918 1.008 29 H 0.34868267624715 0.10685434278344 0.52425058876082 1.008 30 H 0.84868267624715 0.39314565721656 0.47574941123918 1.008 31 H 0.65131732375285 0.60685434278344 0.97574941123918 1.008 32 H 0.15131732375285 0.89314565721656 0.02425058876082 1.008 *33 Li 0.37694996533002 0.87450094519381 0.30316645054068 6.941 34 Li 0.87694996533002 0.62549905480619 0.69683354945932 6.941 35 Li 0.62305003466998 0.37450094519381 0.19683354945932 6.941 36 Li 0.12305003466998 0.12549905480619 0.80316645054068 6.941 37 Li 0.62305003466998 0.12549905480619 0.69683354945932 6.941 38 Li 0.12305003466998 0.37450094519381 0.30316645054068 6.941 39 Li 0.37694996533002 0.62549905480619 0.80316645054068 6.941 40 Li 0.87694996533002 0.87450094519381 0.19683354945932 6.941 *41 B 0.67412527188141 0.65657842690481 0.41032845764483 10.811 42 B 0.17412527188141 0.84342157309519 0.58967154235517 10.811 43 B 0.32587472811859 0.15657842690481 0.08967154235517 10.811 44 B 0.82587472811859 0.34342157309519 0.91032845764483 10.811 45 B 0.32587472811859 0.34342157309519 0.58967154235517 10.811 46 B 0.82587472811859 0.15657842690481 0.41032845764483 10.811 47 B 0.67412527188141 0.84342157309519 0.91032845764483 10.811 48 B 0.17412527188141 0.65657842690481 0.08967154235517 10.811 *49 O 0.84425915129518 0.70480969640902 0.34536052074106 15.999 50 O 0.34425915129518 0.79519030359098 0.65463947925894 15.999 51 O 0.15574084870482 0.20480969640902 0.15463947925894 15.999 52 O 0.65574084870482 0.29519030359098 0.84536052074106 15.999 53 O 0.15574084870482 0.29519030359098 0.65463947925894 15.999 54 O 0.65574084870482 0.20480969640902 0.34536052074106 15.999 55 O 0.84425915129518 0.79519030359098 0.84536052074106 15.999 56 O 0.34425915129518 0.70480969640902 0.15463947925894 15.999 *57 O 0.56508414201174 0.55606767905035 0.31589266374701 15.999 58 O 0.06508414201174 0.94393232094965 0.68410733625299 15.999 59 O 0.43491585798826 0.05606767905035 0.18410733625299 15.999 60 O 0.93491585798826 0.44393232094965 0.81589266374701 15.999 61 O 0.43491585798826 0.44393232094965 0.68410733625299 15.999 62 O 0.93491585798826 0.05606767905035 0.31589266374701 15.999 63 O 0.56508414201174 0.94393232094965 0.81589266374701 15.999 64 O 0.06508414201174 0.55606767905035 0.18410733625299 15.999 *65 O 0.71604264921708 0.56426073271904 0.54346254313386 15.999 66 O 0.21604264921708 0.93573926728096 0.45653745686614 15.999 67 O 0.28395735078292 0.06426073271904 0.95653745686614 15.999 68 O 0.78395735078292 0.43573926728096 0.04346254313386 15.999 69 O 0.28395735078292 0.43573926728096 0.45653745686614 15.999 70 O 0.78395735078292 0.06426073271904 0.54346254313386 15.999 71 O 0.71604264921708 0.93573926728096 0.04346254313386 15.999 72 O 0.21604264921708 0.56426073271904 0.95653745686614 15.999 *73 O 0.57147958003032 0.80579633309089 0.44138334731438 15.999 74 O 0.07147958003032 0.69420366690911 0.55861665268562 15.999 75 O 0.42852041996968 0.30579633309089 0.05861665268562 15.999 76 O 0.92852041996968 0.19420366690911 0.94138334731438 15.999 77 O 0.42852041996968 0.19420366690911 0.55861665268562 15.999 78 O 0.92852041996968 0.30579633309089 0.44138334731438 15.999 79 O 0.57147958003032 0.69420366690911 0.94138334731438 15.999 80 O 0.07147958003032 0.80579633309089 0.05861665268562 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.602676790000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.373797819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.159584949999999 Atomic positions (fractional): *1 H 0.93327048918697 0.71200960501522 0.42867762493844 1.008 > 1 2 H 0.43327048918697 0.78799039498478 0.57132237506156 1.008 > 2 3 H 0.06672951081303 0.21200960501522 0.07132237506156 1.008 > 3 4 H 0.56672951081303 0.28799039498478 0.92867762493844 1.008 > 4 5 H 0.06672951081303 0.28799039498478 0.57132237506156 1.008 > 5 6 H 0.56672951081303 0.21200960501522 0.42867762493844 1.008 > 6 7 H 0.93327048918697 0.78799039498478 0.92867762493844 1.008 > 7 8 H 0.43327048918697 0.71200960501522 0.07132237506156 1.008 > 8 *9 H 0.97731376915045 0.61645440233233 0.24720123023353 1.008 > 9 10 H 0.47731376915045 0.88354559766767 0.75279876976647 1.008 > 10 11 H 0.02268623084955 0.11645440233233 0.25279876976647 1.008 > 11 12 H 0.52268623084955 0.38354559766767 0.74720123023353 1.008 > 12 13 H 0.02268623084955 0.38354559766767 0.75279876976647 1.008 > 13 14 H 0.52268623084955 0.11645440233233 0.24720123023353 1.008 > 14 15 H 0.97731376915045 0.88354559766767 0.74720123023353 1.008 > 15 16 H 0.47731376915045 0.61645440233233 0.25279876976647 1.008 > 16 *17 H 0.10542535791044 0.97919176244466 0.41100988132681 1.008 > 17 18 H 0.60542535791043 0.52080823755534 0.58899011867319 1.008 > 18 19 H 0.89457464208957 0.47919176244466 0.08899011867319 1.008 > 19 20 H 0.39457464208956 0.02080823755534 0.91100988132681 1.008 > 20 21 H 0.89457464208957 0.02080823755534 0.58899011867319 1.008 > 21 22 H 0.39457464208956 0.47919176244466 0.41100988132681 1.008 > 22 23 H 0.10542535791044 0.52080823755534 0.91100988132681 1.008 > 23 24 H 0.60542535791043 0.97919176244466 0.08899011867319 1.008 > 24 *25 H 0.65131732375285 0.89314565721656 0.47574941123918 1.008 > 25 26 H 0.15131732375285 0.60685434278344 0.52425058876082 1.008 > 26 27 H 0.34868267624715 0.39314565721656 0.02425058876082 1.008 > 27 28 H 0.84868267624715 0.10685434278344 0.97574941123918 1.008 > 28 29 H 0.34868267624715 0.10685434278344 0.52425058876082 1.008 > 29 30 H 0.84868267624715 0.39314565721656 0.47574941123918 1.008 > 30 31 H 0.65131732375285 0.60685434278344 0.97574941123918 1.008 > 31 32 H 0.15131732375285 0.89314565721656 0.02425058876082 1.008 > 32 *33 Li 0.37694996533002 0.87450094519381 0.30316645054068 6.941 > 33 34 Li 0.87694996533002 0.62549905480619 0.69683354945932 6.941 > 34 35 Li 0.62305003466998 0.37450094519381 0.19683354945932 6.941 > 35 36 Li 0.12305003466998 0.12549905480619 0.80316645054068 6.941 > 36 37 Li 0.62305003466998 0.12549905480619 0.69683354945932 6.941 > 37 38 Li 0.12305003466998 0.37450094519381 0.30316645054068 6.941 > 38 39 Li 0.37694996533002 0.62549905480619 0.80316645054068 6.941 > 39 40 Li 0.87694996533002 0.87450094519381 0.19683354945932 6.941 > 40 *41 B 0.67412527188141 0.65657842690481 0.41032845764483 10.811 > 41 42 B 0.17412527188141 0.84342157309519 0.58967154235517 10.811 > 42 43 B 0.32587472811859 0.15657842690481 0.08967154235517 10.811 > 43 44 B 0.82587472811859 0.34342157309519 0.91032845764483 10.811 > 44 45 B 0.32587472811859 0.34342157309519 0.58967154235517 10.811 > 45 46 B 0.82587472811859 0.15657842690481 0.41032845764483 10.811 > 46 47 B 0.67412527188141 0.84342157309519 0.91032845764483 10.811 > 47 48 B 0.17412527188141 0.65657842690481 0.08967154235517 10.811 > 48 *49 O 0.84425915129518 0.70480969640902 0.34536052074106 15.999 > 49 50 O 0.34425915129518 0.79519030359098 0.65463947925894 15.999 > 50 51 O 0.15574084870482 0.20480969640902 0.15463947925894 15.999 > 51 52 O 0.65574084870482 0.29519030359098 0.84536052074106 15.999 > 52 53 O 0.15574084870482 0.29519030359098 0.65463947925894 15.999 > 53 54 O 0.65574084870482 0.20480969640902 0.34536052074106 15.999 > 54 55 O 0.84425915129518 0.79519030359098 0.84536052074106 15.999 > 55 56 O 0.34425915129518 0.70480969640902 0.15463947925894 15.999 > 56 *57 O 0.56508414201174 0.55606767905035 0.31589266374701 15.999 > 57 58 O 0.06508414201174 0.94393232094965 0.68410733625299 15.999 > 58 59 O 0.43491585798826 0.05606767905035 0.18410733625299 15.999 > 59 60 O 0.93491585798826 0.44393232094965 0.81589266374701 15.999 > 60 61 O 0.43491585798826 0.44393232094965 0.68410733625299 15.999 > 61 62 O 0.93491585798826 0.05606767905035 0.31589266374701 15.999 > 62 63 O 0.56508414201174 0.94393232094965 0.81589266374701 15.999 > 63 64 O 0.06508414201174 0.55606767905035 0.18410733625299 15.999 > 64 *65 O 0.71604264921708 0.56426073271904 0.54346254313386 15.999 > 65 66 O 0.21604264921708 0.93573926728096 0.45653745686614 15.999 > 66 67 O 0.28395735078292 0.06426073271904 0.95653745686614 15.999 > 67 68 O 0.78395735078292 0.43573926728096 0.04346254313386 15.999 > 68 69 O 0.28395735078292 0.43573926728096 0.45653745686614 15.999 > 69 70 O 0.78395735078292 0.06426073271904 0.54346254313386 15.999 > 70 71 O 0.71604264921708 0.93573926728096 0.04346254313386 15.999 > 71 72 O 0.21604264921708 0.56426073271904 0.95653745686614 15.999 > 72 *73 O 0.57147958003032 0.80579633309089 0.44138334731438 15.999 > 73 74 O 0.07147958003032 0.69420366690911 0.55861665268562 15.999 > 74 75 O 0.42852041996968 0.30579633309089 0.05861665268562 15.999 > 75 76 O 0.92852041996968 0.19420366690911 0.94138334731438 15.999 > 76 77 O 0.42852041996968 0.19420366690911 0.55861665268562 15.999 > 77 78 O 0.92852041996968 0.30579633309089 0.44138334731438 15.999 > 78 79 O 0.57147958003032 0.69420366690911 0.94138334731438 15.999 > 79 80 O 0.07147958003032 0.80579633309089 0.05861665268562 15.999 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.602676790000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.373797819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.159584949999999 Atomic positions (fractional): *1 H 0.93327048918697 0.71200960501522 0.42867762493844 1.008 > 1 2 H 0.43327048918697 0.78799039498478 0.57132237506156 1.008 > 2 3 H 0.06672951081303 0.21200960501522 0.07132237506156 1.008 > 3 4 H 0.56672951081303 0.28799039498478 0.92867762493844 1.008 > 4 5 H 0.06672951081303 0.28799039498478 0.57132237506156 1.008 > 5 6 H 0.56672951081303 0.21200960501522 0.42867762493844 1.008 > 6 7 H 0.93327048918697 0.78799039498478 0.92867762493844 1.008 > 7 8 H 0.43327048918697 0.71200960501522 0.07132237506156 1.008 > 8 *9 H 0.97731376915045 0.61645440233233 0.24720123023353 1.008 > 9 10 H 0.47731376915045 0.88354559766767 0.75279876976647 1.008 > 10 11 H 0.02268623084955 0.11645440233233 0.25279876976647 1.008 > 11 12 H 0.52268623084955 0.38354559766767 0.74720123023353 1.008 > 12 13 H 0.02268623084955 0.38354559766767 0.75279876976647 1.008 > 13 14 H 0.52268623084955 0.11645440233233 0.24720123023353 1.008 > 14 15 H 0.97731376915045 0.88354559766767 0.74720123023353 1.008 > 15 16 H 0.47731376915045 0.61645440233233 0.25279876976647 1.008 > 16 *17 H 0.10542535791044 0.97919176244466 0.41100988132681 1.008 > 17 18 H 0.60542535791043 0.52080823755534 0.58899011867319 1.008 > 18 19 H 0.89457464208957 0.47919176244466 0.08899011867319 1.008 > 19 20 H 0.39457464208956 0.02080823755534 0.91100988132681 1.008 > 20 21 H 0.89457464208957 0.02080823755534 0.58899011867319 1.008 > 21 22 H 0.39457464208956 0.47919176244466 0.41100988132681 1.008 > 22 23 H 0.10542535791044 0.52080823755534 0.91100988132681 1.008 > 23 24 H 0.60542535791043 0.97919176244466 0.08899011867319 1.008 > 24 *25 H 0.65131732375285 0.89314565721656 0.47574941123918 1.008 > 25 26 H 0.15131732375285 0.60685434278344 0.52425058876082 1.008 > 26 27 H 0.34868267624715 0.39314565721656 0.02425058876082 1.008 > 27 28 H 0.84868267624715 0.10685434278344 0.97574941123918 1.008 > 28 29 H 0.34868267624715 0.10685434278344 0.52425058876082 1.008 > 29 30 H 0.84868267624715 0.39314565721656 0.47574941123918 1.008 > 30 31 H 0.65131732375285 0.60685434278344 0.97574941123918 1.008 > 31 32 H 0.15131732375285 0.89314565721656 0.02425058876082 1.008 > 32 *33 Li 0.37694996533002 0.87450094519381 0.30316645054068 6.941 > 33 34 Li 0.87694996533002 0.62549905480619 0.69683354945932 6.941 > 34 35 Li 0.62305003466998 0.37450094519381 0.19683354945932 6.941 > 35 36 Li 0.12305003466998 0.12549905480619 0.80316645054068 6.941 > 36 37 Li 0.62305003466998 0.12549905480619 0.69683354945932 6.941 > 37 38 Li 0.12305003466998 0.37450094519381 0.30316645054068 6.941 > 38 39 Li 0.37694996533002 0.62549905480619 0.80316645054068 6.941 > 39 40 Li 0.87694996533002 0.87450094519381 0.19683354945932 6.941 > 40 *41 B 0.67412527188141 0.65657842690481 0.41032845764483 10.811 > 41 42 B 0.17412527188141 0.84342157309519 0.58967154235517 10.811 > 42 43 B 0.32587472811859 0.15657842690481 0.08967154235517 10.811 > 43 44 B 0.82587472811859 0.34342157309519 0.91032845764483 10.811 > 44 45 B 0.32587472811859 0.34342157309519 0.58967154235517 10.811 > 45 46 B 0.82587472811859 0.15657842690481 0.41032845764483 10.811 > 46 47 B 0.67412527188141 0.84342157309519 0.91032845764483 10.811 > 47 48 B 0.17412527188141 0.65657842690481 0.08967154235517 10.811 > 48 *49 O 0.84425915129518 0.70480969640902 0.34536052074106 15.999 > 49 50 O 0.34425915129518 0.79519030359098 0.65463947925894 15.999 > 50 51 O 0.15574084870482 0.20480969640902 0.15463947925894 15.999 > 51 52 O 0.65574084870482 0.29519030359098 0.84536052074106 15.999 > 52 53 O 0.15574084870482 0.29519030359098 0.65463947925894 15.999 > 53 54 O 0.65574084870482 0.20480969640902 0.34536052074106 15.999 > 54 55 O 0.84425915129518 0.79519030359098 0.84536052074106 15.999 > 55 56 O 0.34425915129518 0.70480969640902 0.15463947925894 15.999 > 56 *57 O 0.56508414201174 0.55606767905035 0.31589266374701 15.999 > 57 58 O 0.06508414201174 0.94393232094965 0.68410733625299 15.999 > 58 59 O 0.43491585798826 0.05606767905035 0.18410733625299 15.999 > 59 60 O 0.93491585798826 0.44393232094965 0.81589266374701 15.999 > 60 61 O 0.43491585798826 0.44393232094965 0.68410733625299 15.999 > 61 62 O 0.93491585798826 0.05606767905035 0.31589266374701 15.999 > 62 63 O 0.56508414201174 0.94393232094965 0.81589266374701 15.999 > 63 64 O 0.06508414201174 0.55606767905035 0.18410733625299 15.999 > 64 *65 O 0.71604264921708 0.56426073271904 0.54346254313386 15.999 > 65 66 O 0.21604264921708 0.93573926728096 0.45653745686614 15.999 > 66 67 O 0.28395735078292 0.06426073271904 0.95653745686614 15.999 > 67 68 O 0.78395735078292 0.43573926728096 0.04346254313386 15.999 > 68 69 O 0.28395735078292 0.43573926728096 0.45653745686614 15.999 > 69 70 O 0.78395735078292 0.06426073271904 0.54346254313386 15.999 > 70 71 O 0.71604264921708 0.93573926728096 0.04346254313386 15.999 > 71 72 O 0.21604264921708 0.56426073271904 0.95653745686614 15.999 > 72 *73 O 0.57147958003032 0.80579633309089 0.44138334731438 15.999 > 73 74 O 0.07147958003032 0.69420366690911 0.55861665268562 15.999 > 74 75 O 0.42852041996968 0.30579633309089 0.05861665268562 15.999 > 75 76 O 0.92852041996968 0.19420366690911 0.94138334731438 15.999 > 76 77 O 0.42852041996968 0.19420366690911 0.55861665268562 15.999 > 77 78 O 0.92852041996968 0.30579633309089 0.44138334731438 15.999 > 78 79 O 0.57147958003032 0.69420366690911 0.94138334731438 15.999 > 79 80 O 0.07147958003032 0.80579633309089 0.05861665268562 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6054139 0.0000000 0.0000000 0.0000000 2.4590622 0.0000000 0.0000000 0.0000000 2.4723239 -------------------------- Born effective charges -------------------------- 1 H 0.9498299 -0.0061571 0.6831701 0.0816896 0.3377160 0.0497739 0.5840653 -0.0073850 0.8802604 2 H 0.9498299 0.0061571 -0.6831701 -0.0816896 0.3377160 0.0497739 -0.5840653 -0.0073850 0.8802604 3 H 0.9498299 0.0061571 0.6831701 -0.0816896 0.3377160 -0.0497739 0.5840653 0.0073850 0.8802604 4 H 0.9498299 -0.0061571 -0.6831701 0.0816896 0.3377160 -0.0497739 -0.5840653 0.0073850 0.8802604 5 H 0.9498299 -0.0061571 0.6831701 0.0816896 0.3377160 0.0497739 0.5840653 -0.0073850 0.8802604 6 H 0.9498299 0.0061571 -0.6831701 -0.0816896 0.3377160 0.0497739 -0.5840653 -0.0073850 0.8802604 7 H 0.9498299 0.0061571 0.6831701 -0.0816896 0.3377160 -0.0497739 0.5840653 0.0073850 0.8802604 8 H 0.9498299 -0.0061571 -0.6831701 0.0816896 0.3377160 -0.0497739 -0.5840653 0.0073850 0.8802604 9 H 0.9037756 -0.3691388 -0.5240164 -0.3139555 0.4678197 0.2690849 -0.6239446 0.3787680 0.8926248 10 H 0.9037756 0.3691388 0.5240164 0.3139555 0.4678197 0.2690849 0.6239446 0.3787680 0.8926248 11 H 0.9037756 0.3691388 -0.5240164 0.3139555 0.4678197 -0.2690849 -0.6239446 -0.3787680 0.8926248 12 H 0.9037756 -0.3691388 0.5240164 -0.3139555 0.4678197 -0.2690849 0.6239446 -0.3787680 0.8926248 13 H 0.9037756 -0.3691388 -0.5240164 -0.3139555 0.4678197 0.2690849 -0.6239446 0.3787680 0.8926248 14 H 0.9037756 0.3691388 0.5240164 0.3139555 0.4678197 0.2690849 0.6239446 0.3787680 0.8926248 15 H 0.9037756 0.3691388 -0.5240164 0.3139555 0.4678197 -0.2690849 -0.6239446 -0.3787680 0.8926248 16 H 0.9037756 -0.3691388 0.5240164 -0.3139555 0.4678197 -0.2690849 0.6239446 -0.3787680 0.8926248 17 H 0.8682512 -0.3162668 0.3640570 -0.3457075 0.5002028 -0.2145261 0.3936733 -0.2033889 0.5805120 18 H 0.8682512 0.3162668 -0.3640570 0.3457075 0.5002028 -0.2145261 -0.3936733 -0.2033889 0.5805120 19 H 0.8682512 0.3162668 0.3640570 0.3457075 0.5002028 0.2145261 0.3936733 0.2033889 0.5805120 20 H 0.8682512 -0.3162668 -0.3640570 -0.3457075 0.5002028 0.2145261 -0.3936733 0.2033889 0.5805120 21 H 0.8682512 -0.3162668 0.3640570 -0.3457075 0.5002028 -0.2145261 0.3936733 -0.2033889 0.5805120 22 H 0.8682512 0.3162668 -0.3640570 0.3457075 0.5002028 -0.2145261 -0.3936733 -0.2033889 0.5805120 23 H 0.8682512 0.3162668 0.3640570 0.3457075 0.5002028 0.2145261 0.3936733 0.2033889 0.5805120 24 H 0.8682512 -0.3162668 -0.3640570 -0.3457075 0.5002028 0.2145261 -0.3936733 0.2033889 0.5805120 25 H 0.5737622 0.3452235 0.0971992 0.3535415 0.8560331 0.1788858 0.0785823 0.1352209 0.3781270 26 H 0.5737622 -0.3452235 -0.0971992 -0.3535415 0.8560331 0.1788858 -0.0785823 0.1352209 0.3781270 27 H 0.5737622 -0.3452235 0.0971992 -0.3535415 0.8560331 -0.1788858 0.0785823 -0.1352209 0.3781270 28 H 0.5737622 0.3452235 -0.0971992 0.3535415 0.8560331 -0.1788858 -0.0785823 -0.1352209 0.3781270 29 H 0.5737622 0.3452235 0.0971992 0.3535415 0.8560331 0.1788858 0.0785823 0.1352209 0.3781270 30 H 0.5737622 -0.3452235 -0.0971992 -0.3535415 0.8560331 0.1788858 -0.0785823 0.1352209 0.3781270 31 H 0.5737622 -0.3452235 0.0971992 -0.3535415 0.8560331 -0.1788858 0.0785823 -0.1352209 0.3781270 32 H 0.5737622 0.3452235 -0.0971992 0.3535415 0.8560331 -0.1788858 -0.0785823 -0.1352209 0.3781270 33 Li 0.9422353 -0.0253764 0.0025739 -0.0334887 1.0078323 0.0035162 0.0016481 -0.0086530 1.1071799 34 Li 0.9422353 0.0253764 -0.0025739 0.0334887 1.0078323 0.0035162 -0.0016481 -0.0086530 1.1071799 35 Li 0.9422353 0.0253764 0.0025739 0.0334887 1.0078323 -0.0035162 0.0016481 0.0086530 1.1071799 36 Li 0.9422353 -0.0253764 -0.0025739 -0.0334887 1.0078323 -0.0035162 -0.0016481 0.0086530 1.1071799 37 Li 0.9422353 -0.0253764 0.0025739 -0.0334887 1.0078323 0.0035162 0.0016481 -0.0086530 1.1071799 38 Li 0.9422353 0.0253764 -0.0025739 0.0334887 1.0078323 0.0035162 -0.0016481 -0.0086530 1.1071799 39 Li 0.9422353 0.0253764 0.0025739 0.0334887 1.0078323 -0.0035162 0.0016481 0.0086530 1.1071799 40 Li 0.9422353 -0.0253764 -0.0025739 -0.0334887 1.0078323 -0.0035162 -0.0016481 0.0086530 1.1071799 41 B 2.4489974 0.1882803 0.1376360 -0.0915746 2.2442985 -0.1428938 0.0392521 0.0272538 1.9041001 42 B 2.4489974 -0.1882803 -0.1376360 0.0915746 2.2442985 -0.1428938 -0.0392521 0.0272538 1.9041001 43 B 2.4489974 -0.1882803 0.1376360 0.0915746 2.2442985 0.1428938 0.0392521 -0.0272538 1.9041001 44 B 2.4489974 0.1882803 -0.1376360 -0.0915746 2.2442985 0.1428938 -0.0392521 -0.0272538 1.9041001 45 B 2.4489974 0.1882803 0.1376360 -0.0915746 2.2442985 -0.1428938 0.0392521 0.0272538 1.9041001 46 B 2.4489974 -0.1882803 -0.1376360 0.0915746 2.2442985 -0.1428938 -0.0392521 0.0272538 1.9041001 47 B 2.4489974 -0.1882803 0.1376360 0.0915746 2.2442985 0.1428938 0.0392521 -0.0272538 1.9041001 48 B 2.4489974 0.1882803 -0.1376360 -0.0915746 2.2442985 0.1428938 -0.0392521 -0.0272538 1.9041001 49 O -2.1409747 -0.0758585 0.1646483 -0.0150631 -1.0560950 -0.0410854 0.2814176 -0.0719022 -1.4685643 50 O -2.1409747 0.0758585 -0.1646483 0.0150631 -1.0560950 -0.0410854 -0.2814176 -0.0719022 -1.4685643 51 O -2.1409747 0.0758585 0.1646483 0.0150631 -1.0560950 0.0410854 0.2814176 0.0719022 -1.4685643 52 O -2.1409747 -0.0758585 -0.1646483 -0.0150631 -1.0560950 0.0410854 -0.2814176 0.0719022 -1.4685643 53 O -2.1409747 -0.0758585 0.1646483 -0.0150631 -1.0560950 -0.0410854 0.2814176 -0.0719022 -1.4685643 54 O -2.1409747 0.0758585 -0.1646483 0.0150631 -1.0560950 -0.0410854 -0.2814176 -0.0719022 -1.4685643 55 O -2.1409747 0.0758585 0.1646483 0.0150631 -1.0560950 0.0410854 0.2814176 0.0719022 -1.4685643 56 O -2.1409747 -0.0758585 -0.1646483 -0.0150631 -1.0560950 0.0410854 -0.2814176 0.0719022 -1.4685643 57 O -1.7187405 -0.2158008 -0.3871963 -0.1511766 -1.2585625 -0.0124945 -0.4013968 -0.0058326 -1.5725543 58 O -1.7187405 0.2158008 0.3871963 0.1511766 -1.2585625 -0.0124945 0.4013968 -0.0058326 -1.5725543 59 O -1.7187405 0.2158008 -0.3871963 0.1511766 -1.2585625 0.0124945 -0.4013968 0.0058326 -1.5725543 60 O -1.7187405 -0.2158008 0.3871963 -0.1511766 -1.2585625 0.0124945 0.4013968 0.0058326 -1.5725543 61 O -1.7187405 -0.2158008 -0.3871963 -0.1511766 -1.2585625 -0.0124945 -0.4013968 -0.0058326 -1.5725543 62 O -1.7187405 0.2158008 0.3871963 0.1511766 -1.2585625 -0.0124945 0.4013968 -0.0058326 -1.5725543 63 O -1.7187405 0.2158008 -0.3871963 0.1511766 -1.2585625 0.0124945 -0.4013968 0.0058326 -1.5725543 64 O -1.7187405 -0.2158008 0.3871963 -0.1511766 -1.2585625 0.0124945 0.4013968 0.0058326 -1.5725543 65 O -1.3529176 -0.0035304 0.0822623 0.0260370 -1.4326445 0.3763671 0.1140989 0.3086501 -1.5328229 66 O -1.3529176 0.0035304 -0.0822623 -0.0260370 -1.4326445 0.3763671 -0.1140989 0.3086501 -1.5328229 67 O -1.3529176 0.0035304 0.0822623 -0.0260370 -1.4326445 -0.3763671 0.1140989 -0.3086501 -1.5328229 68 O -1.3529176 -0.0035304 -0.0822623 0.0260370 -1.4326445 -0.3763671 -0.1140989 -0.3086501 -1.5328229 69 O -1.3529176 -0.0035304 0.0822623 0.0260370 -1.4326445 0.3763671 0.1140989 0.3086501 -1.5328229 70 O -1.3529176 0.0035304 -0.0822623 -0.0260370 -1.4326445 0.3763671 -0.1140989 0.3086501 -1.5328229 71 O -1.3529176 0.0035304 0.0822623 -0.0260370 -1.4326445 -0.3763671 0.1140989 -0.3086501 -1.5328229 72 O -1.3529176 -0.0035304 -0.0822623 0.0260370 -1.4326445 -0.3763671 -0.1140989 -0.3086501 -1.5328229 73 O -1.4742189 0.1297088 0.2797408 0.2395381 -1.6666005 -0.1833990 0.2481087 -0.1620474 -1.1688626 74 O -1.4742189 -0.1297088 -0.2797408 -0.2395381 -1.6666005 -0.1833990 -0.2481087 -0.1620474 -1.1688626 75 O -1.4742189 -0.1297088 0.2797408 -0.2395381 -1.6666005 0.1833990 0.2481087 0.1620474 -1.1688626 76 O -1.4742189 0.1297088 -0.2797408 0.2395381 -1.6666005 0.1833990 -0.2481087 0.1620474 -1.1688626 77 O -1.4742189 0.1297088 0.2797408 0.2395381 -1.6666005 -0.1833990 0.2481087 -0.1620474 -1.1688626 78 O -1.4742189 -0.1297088 -0.2797408 -0.2395381 -1.6666005 -0.1833990 -0.2481087 -0.1620474 -1.1688626 79 O -1.4742189 -0.1297088 0.2797408 -0.2395381 -1.6666005 0.1833990 0.2481087 0.1620474 -1.1688626 80 O -1.4742189 0.1297088 -0.2797408 0.2395381 -1.6666005 0.1833990 -0.2481087 0.1620474 -1.1688626 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 17), data: (800, 37) @ (37, 17) |-- (300, 283), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.730 Solver_block: 200 / 1200 - Time: 0.601 Solver_block: 300 / 1200 - Time: 0.595 Solver_block: 400 / 1200 - Time: 0.600 Solver_block: 500 / 1200 - Time: 0.604 Solver_block: 600 / 1200 - Time: 0.602 Solver_block: 700 / 1200 - Time: 0.598 Solver_block: 800 / 1200 - Time: 0.604 Solver_block: 900 / 1200 - Time: 0.605 Solver_block: 1000 / 1200 - Time: 0.606 Solver_block: 1100 / 1200 - Time: 0.607 Solver_block: 1200 / 1200 - Time: 0.600 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.533 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 17), data: (800, 37) @ (37, 17) |-- (300, 283), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (yz) 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 05:32:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:32:35]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.602676790000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.373797819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.159584949999999 Atomic positions (fractional): 1 H 0.93327048918697 0.71200960501522 0.42867762493844 1.008 2 H 0.43327048918697 0.78799039498478 0.57132237506156 1.008 3 H 0.06672951081303 0.21200960501522 0.07132237506156 1.008 4 H 0.56672951081303 0.28799039498478 0.92867762493844 1.008 5 H 0.06672951081303 0.28799039498478 0.57132237506156 1.008 6 H 0.56672951081303 0.21200960501522 0.42867762493844 1.008 7 H 0.93327048918697 0.78799039498478 0.92867762493844 1.008 8 H 0.43327048918697 0.71200960501522 0.07132237506156 1.008 9 H 0.97731376915045 0.61645440233233 0.24720123023353 1.008 10 H 0.47731376915045 0.88354559766767 0.75279876976647 1.008 11 H 0.02268623084955 0.11645440233233 0.25279876976647 1.008 12 H 0.52268623084955 0.38354559766767 0.74720123023353 1.008 13 H 0.02268623084955 0.38354559766767 0.75279876976647 1.008 14 H 0.52268623084955 0.11645440233233 0.24720123023353 1.008 15 H 0.97731376915045 0.88354559766767 0.74720123023353 1.008 16 H 0.47731376915045 0.61645440233233 0.25279876976647 1.008 17 H 0.10542535791044 0.97919176244466 0.41100988132681 1.008 18 H 0.60542535791043 0.52080823755534 0.58899011867319 1.008 19 H 0.89457464208957 0.47919176244466 0.08899011867319 1.008 20 H 0.39457464208956 0.02080823755534 0.91100988132681 1.008 21 H 0.89457464208957 0.02080823755534 0.58899011867319 1.008 22 H 0.39457464208956 0.47919176244466 0.41100988132681 1.008 23 H 0.10542535791044 0.52080823755534 0.91100988132681 1.008 24 H 0.60542535791043 0.97919176244466 0.08899011867319 1.008 25 H 0.65131732375285 0.89314565721656 0.47574941123918 1.008 26 H 0.15131732375285 0.60685434278344 0.52425058876082 1.008 27 H 0.34868267624715 0.39314565721656 0.02425058876082 1.008 28 H 0.84868267624715 0.10685434278344 0.97574941123918 1.008 29 H 0.34868267624715 0.10685434278344 0.52425058876082 1.008 30 H 0.84868267624715 0.39314565721656 0.47574941123918 1.008 31 H 0.65131732375285 0.60685434278344 0.97574941123918 1.008 32 H 0.15131732375285 0.89314565721656 0.02425058876082 1.008 33 Li 0.37694996533002 0.87450094519381 0.30316645054068 6.941 34 Li 0.87694996533002 0.62549905480619 0.69683354945932 6.941 35 Li 0.62305003466998 0.37450094519381 0.19683354945932 6.941 36 Li 0.12305003466998 0.12549905480619 0.80316645054068 6.941 37 Li 0.62305003466998 0.12549905480619 0.69683354945932 6.941 38 Li 0.12305003466998 0.37450094519381 0.30316645054068 6.941 39 Li 0.37694996533002 0.62549905480619 0.80316645054068 6.941 40 Li 0.87694996533002 0.87450094519381 0.19683354945932 6.941 41 B 0.67412527188141 0.65657842690481 0.41032845764483 10.811 42 B 0.17412527188141 0.84342157309519 0.58967154235517 10.811 43 B 0.32587472811859 0.15657842690481 0.08967154235517 10.811 44 B 0.82587472811859 0.34342157309519 0.91032845764483 10.811 45 B 0.32587472811859 0.34342157309519 0.58967154235517 10.811 46 B 0.82587472811859 0.15657842690481 0.41032845764483 10.811 47 B 0.67412527188141 0.84342157309519 0.91032845764483 10.811 48 B 0.17412527188141 0.65657842690481 0.08967154235517 10.811 49 O 0.84425915129518 0.70480969640902 0.34536052074106 15.999 50 O 0.34425915129518 0.79519030359098 0.65463947925894 15.999 51 O 0.15574084870482 0.20480969640902 0.15463947925894 15.999 52 O 0.65574084870482 0.29519030359098 0.84536052074106 15.999 53 O 0.15574084870482 0.29519030359098 0.65463947925894 15.999 54 O 0.65574084870482 0.20480969640902 0.34536052074106 15.999 55 O 0.84425915129518 0.79519030359098 0.84536052074106 15.999 56 O 0.34425915129518 0.70480969640902 0.15463947925894 15.999 57 O 0.56508414201174 0.55606767905035 0.31589266374701 15.999 58 O 0.06508414201174 0.94393232094965 0.68410733625299 15.999 59 O 0.43491585798826 0.05606767905035 0.18410733625299 15.999 60 O 0.93491585798826 0.44393232094965 0.81589266374701 15.999 61 O 0.43491585798826 0.44393232094965 0.68410733625299 15.999 62 O 0.93491585798826 0.05606767905035 0.31589266374701 15.999 63 O 0.56508414201174 0.94393232094965 0.81589266374701 15.999 64 O 0.06508414201174 0.55606767905035 0.18410733625299 15.999 65 O 0.71604264921708 0.56426073271904 0.54346254313386 15.999 66 O 0.21604264921708 0.93573926728096 0.45653745686614 15.999 67 O 0.28395735078292 0.06426073271904 0.95653745686614 15.999 68 O 0.78395735078292 0.43573926728096 0.04346254313386 15.999 69 O 0.28395735078292 0.43573926728096 0.45653745686614 15.999 70 O 0.78395735078292 0.06426073271904 0.54346254313386 15.999 71 O 0.71604264921708 0.93573926728096 0.04346254313386 15.999 72 O 0.21604264921708 0.56426073271904 0.95653745686614 15.999 73 O 0.57147958003032 0.80579633309089 0.44138334731438 15.999 74 O 0.07147958003032 0.69420366690911 0.55861665268562 15.999 75 O 0.42852041996968 0.30579633309089 0.05861665268562 15.999 76 O 0.92852041996968 0.19420366690911 0.94138334731438 15.999 77 O 0.42852041996968 0.19420366690911 0.55861665268562 15.999 78 O 0.92852041996968 0.30579633309089 0.44138334731438 15.999 79 O 0.57147958003032 0.69420366690911 0.94138334731438 15.999 80 O 0.07147958003032 0.80579633309089 0.05861665268562 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.602676790000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.373797819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.159584949999999 Atomic positions (fractional): 1 H 0.93327048918697 0.71200960501522 0.42867762493844 1.008 > 1 2 H 0.43327048918697 0.78799039498478 0.57132237506156 1.008 > 2 3 H 0.06672951081303 0.21200960501522 0.07132237506156 1.008 > 3 4 H 0.56672951081303 0.28799039498478 0.92867762493844 1.008 > 4 5 H 0.06672951081303 0.28799039498478 0.57132237506156 1.008 > 5 6 H 0.56672951081303 0.21200960501522 0.42867762493844 1.008 > 6 7 H 0.93327048918697 0.78799039498478 0.92867762493844 1.008 > 7 8 H 0.43327048918697 0.71200960501522 0.07132237506156 1.008 > 8 9 H 0.97731376915045 0.61645440233233 0.24720123023353 1.008 > 9 10 H 0.47731376915045 0.88354559766767 0.75279876976647 1.008 > 10 11 H 0.02268623084955 0.11645440233233 0.25279876976647 1.008 > 11 12 H 0.52268623084955 0.38354559766767 0.74720123023353 1.008 > 12 13 H 0.02268623084955 0.38354559766767 0.75279876976647 1.008 > 13 14 H 0.52268623084955 0.11645440233233 0.24720123023353 1.008 > 14 15 H 0.97731376915045 0.88354559766767 0.74720123023353 1.008 > 15 16 H 0.47731376915045 0.61645440233233 0.25279876976647 1.008 > 16 17 H 0.10542535791044 0.97919176244466 0.41100988132681 1.008 > 17 18 H 0.60542535791043 0.52080823755534 0.58899011867319 1.008 > 18 19 H 0.89457464208957 0.47919176244466 0.08899011867319 1.008 > 19 20 H 0.39457464208956 0.02080823755534 0.91100988132681 1.008 > 20 21 H 0.89457464208957 0.02080823755534 0.58899011867319 1.008 > 21 22 H 0.39457464208956 0.47919176244466 0.41100988132681 1.008 > 22 23 H 0.10542535791044 0.52080823755534 0.91100988132681 1.008 > 23 24 H 0.60542535791043 0.97919176244466 0.08899011867319 1.008 > 24 25 H 0.65131732375285 0.89314565721656 0.47574941123918 1.008 > 25 26 H 0.15131732375285 0.60685434278344 0.52425058876082 1.008 > 26 27 H 0.34868267624715 0.39314565721656 0.02425058876082 1.008 > 27 28 H 0.84868267624715 0.10685434278344 0.97574941123918 1.008 > 28 29 H 0.34868267624715 0.10685434278344 0.52425058876082 1.008 > 29 30 H 0.84868267624715 0.39314565721656 0.47574941123918 1.008 > 30 31 H 0.65131732375285 0.60685434278344 0.97574941123918 1.008 > 31 32 H 0.15131732375285 0.89314565721656 0.02425058876082 1.008 > 32 33 Li 0.37694996533002 0.87450094519381 0.30316645054068 6.941 > 33 34 Li 0.87694996533002 0.62549905480619 0.69683354945932 6.941 > 34 35 Li 0.62305003466998 0.37450094519381 0.19683354945932 6.941 > 35 36 Li 0.12305003466998 0.12549905480619 0.80316645054068 6.941 > 36 37 Li 0.62305003466998 0.12549905480619 0.69683354945932 6.941 > 37 38 Li 0.12305003466998 0.37450094519381 0.30316645054068 6.941 > 38 39 Li 0.37694996533002 0.62549905480619 0.80316645054068 6.941 > 39 40 Li 0.87694996533002 0.87450094519381 0.19683354945932 6.941 > 40 41 B 0.67412527188141 0.65657842690481 0.41032845764483 10.811 > 41 42 B 0.17412527188141 0.84342157309519 0.58967154235517 10.811 > 42 43 B 0.32587472811859 0.15657842690481 0.08967154235517 10.811 > 43 44 B 0.82587472811859 0.34342157309519 0.91032845764483 10.811 > 44 45 B 0.32587472811859 0.34342157309519 0.58967154235517 10.811 > 45 46 B 0.82587472811859 0.15657842690481 0.41032845764483 10.811 > 46 47 B 0.67412527188141 0.84342157309519 0.91032845764483 10.811 > 47 48 B 0.17412527188141 0.65657842690481 0.08967154235517 10.811 > 48 49 O 0.84425915129518 0.70480969640902 0.34536052074106 15.999 > 49 50 O 0.34425915129518 0.79519030359098 0.65463947925894 15.999 > 50 51 O 0.15574084870482 0.20480969640902 0.15463947925894 15.999 > 51 52 O 0.65574084870482 0.29519030359098 0.84536052074106 15.999 > 52 53 O 0.15574084870482 0.29519030359098 0.65463947925894 15.999 > 53 54 O 0.65574084870482 0.20480969640902 0.34536052074106 15.999 > 54 55 O 0.84425915129518 0.79519030359098 0.84536052074106 15.999 > 55 56 O 0.34425915129518 0.70480969640902 0.15463947925894 15.999 > 56 57 O 0.56508414201174 0.55606767905035 0.31589266374701 15.999 > 57 58 O 0.06508414201174 0.94393232094965 0.68410733625299 15.999 > 58 59 O 0.43491585798826 0.05606767905035 0.18410733625299 15.999 > 59 60 O 0.93491585798826 0.44393232094965 0.81589266374701 15.999 > 60 61 O 0.43491585798826 0.44393232094965 0.68410733625299 15.999 > 61 62 O 0.93491585798826 0.05606767905035 0.31589266374701 15.999 > 62 63 O 0.56508414201174 0.94393232094965 0.81589266374701 15.999 > 63 64 O 0.06508414201174 0.55606767905035 0.18410733625299 15.999 > 64 65 O 0.71604264921708 0.56426073271904 0.54346254313386 15.999 > 65 66 O 0.21604264921708 0.93573926728096 0.45653745686614 15.999 > 66 67 O 0.28395735078292 0.06426073271904 0.95653745686614 15.999 > 67 68 O 0.78395735078292 0.43573926728096 0.04346254313386 15.999 > 68 69 O 0.28395735078292 0.43573926728096 0.45653745686614 15.999 > 69 70 O 0.78395735078292 0.06426073271904 0.54346254313386 15.999 > 70 71 O 0.71604264921708 0.93573926728096 0.04346254313386 15.999 > 71 72 O 0.21604264921708 0.56426073271904 0.95653745686614 15.999 > 72 73 O 0.57147958003032 0.80579633309089 0.44138334731438 15.999 > 73 74 O 0.07147958003032 0.69420366690911 0.55861665268562 15.999 > 74 75 O 0.42852041996968 0.30579633309089 0.05861665268562 15.999 > 75 76 O 0.92852041996968 0.19420366690911 0.94138334731438 15.999 > 76 77 O 0.42852041996968 0.19420366690911 0.55861665268562 15.999 > 77 78 O 0.92852041996968 0.30579633309089 0.44138334731438 15.999 > 78 79 O 0.57147958003032 0.69420366690911 0.94138334731438 15.999 > 79 80 O 0.07147958003032 0.80579633309089 0.05861665268562 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6054139 0.0000000 0.0000000 0.0000000 2.4590622 0.0000000 0.0000000 0.0000000 2.4723239 -------------------------- Born effective charges -------------------------- 1 H 0.9498299 -0.0061571 0.6831701 0.0816896 0.3377160 0.0497739 0.5840653 -0.0073850 0.8802604 2 H 0.9498299 0.0061571 -0.6831701 -0.0816896 0.3377160 0.0497739 -0.5840653 -0.0073850 0.8802604 3 H 0.9498299 0.0061571 0.6831701 -0.0816896 0.3377160 -0.0497739 0.5840653 0.0073850 0.8802604 4 H 0.9498299 -0.0061571 -0.6831701 0.0816896 0.3377160 -0.0497739 -0.5840653 0.0073850 0.8802604 5 H 0.9498299 -0.0061571 0.6831701 0.0816896 0.3377160 0.0497739 0.5840653 -0.0073850 0.8802604 6 H 0.9498299 0.0061571 -0.6831701 -0.0816896 0.3377160 0.0497739 -0.5840653 -0.0073850 0.8802604 7 H 0.9498299 0.0061571 0.6831701 -0.0816896 0.3377160 -0.0497739 0.5840653 0.0073850 0.8802604 8 H 0.9498299 -0.0061571 -0.6831701 0.0816896 0.3377160 -0.0497739 -0.5840653 0.0073850 0.8802604 9 H 0.9037756 -0.3691388 -0.5240164 -0.3139555 0.4678197 0.2690849 -0.6239446 0.3787680 0.8926248 10 H 0.9037756 0.3691388 0.5240164 0.3139555 0.4678197 0.2690849 0.6239446 0.3787680 0.8926248 11 H 0.9037756 0.3691388 -0.5240164 0.3139555 0.4678197 -0.2690849 -0.6239446 -0.3787680 0.8926248 12 H 0.9037756 -0.3691388 0.5240164 -0.3139555 0.4678197 -0.2690849 0.6239446 -0.3787680 0.8926248 13 H 0.9037756 -0.3691388 -0.5240164 -0.3139555 0.4678197 0.2690849 -0.6239446 0.3787680 0.8926248 14 H 0.9037756 0.3691388 0.5240164 0.3139555 0.4678197 0.2690849 0.6239446 0.3787680 0.8926248 15 H 0.9037756 0.3691388 -0.5240164 0.3139555 0.4678197 -0.2690849 -0.6239446 -0.3787680 0.8926248 16 H 0.9037756 -0.3691388 0.5240164 -0.3139555 0.4678197 -0.2690849 0.6239446 -0.3787680 0.8926248 17 H 0.8682512 -0.3162668 0.3640570 -0.3457075 0.5002028 -0.2145261 0.3936733 -0.2033889 0.5805120 18 H 0.8682512 0.3162668 -0.3640570 0.3457075 0.5002028 -0.2145261 -0.3936733 -0.2033889 0.5805120 19 H 0.8682512 0.3162668 0.3640570 0.3457075 0.5002028 0.2145261 0.3936733 0.2033889 0.5805120 20 H 0.8682512 -0.3162668 -0.3640570 -0.3457075 0.5002028 0.2145261 -0.3936733 0.2033889 0.5805120 21 H 0.8682512 -0.3162668 0.3640570 -0.3457075 0.5002028 -0.2145261 0.3936733 -0.2033889 0.5805120 22 H 0.8682512 0.3162668 -0.3640570 0.3457075 0.5002028 -0.2145261 -0.3936733 -0.2033889 0.5805120 23 H 0.8682512 0.3162668 0.3640570 0.3457075 0.5002028 0.2145261 0.3936733 0.2033889 0.5805120 24 H 0.8682512 -0.3162668 -0.3640570 -0.3457075 0.5002028 0.2145261 -0.3936733 0.2033889 0.5805120 25 H 0.5737622 0.3452235 0.0971992 0.3535415 0.8560331 0.1788858 0.0785823 0.1352209 0.3781270 26 H 0.5737622 -0.3452235 -0.0971992 -0.3535415 0.8560331 0.1788858 -0.0785823 0.1352209 0.3781270 27 H 0.5737622 -0.3452235 0.0971992 -0.3535415 0.8560331 -0.1788858 0.0785823 -0.1352209 0.3781270 28 H 0.5737622 0.3452235 -0.0971992 0.3535415 0.8560331 -0.1788858 -0.0785823 -0.1352209 0.3781270 29 H 0.5737622 0.3452235 0.0971992 0.3535415 0.8560331 0.1788858 0.0785823 0.1352209 0.3781270 30 H 0.5737622 -0.3452235 -0.0971992 -0.3535415 0.8560331 0.1788858 -0.0785823 0.1352209 0.3781270 31 H 0.5737622 -0.3452235 0.0971992 -0.3535415 0.8560331 -0.1788858 0.0785823 -0.1352209 0.3781270 32 H 0.5737622 0.3452235 -0.0971992 0.3535415 0.8560331 -0.1788858 -0.0785823 -0.1352209 0.3781270 33 Li 0.9422353 -0.0253764 0.0025739 -0.0334887 1.0078323 0.0035162 0.0016481 -0.0086530 1.1071799 34 Li 0.9422353 0.0253764 -0.0025739 0.0334887 1.0078323 0.0035162 -0.0016481 -0.0086530 1.1071799 35 Li 0.9422353 0.0253764 0.0025739 0.0334887 1.0078323 -0.0035162 0.0016481 0.0086530 1.1071799 36 Li 0.9422353 -0.0253764 -0.0025739 -0.0334887 1.0078323 -0.0035162 -0.0016481 0.0086530 1.1071799 37 Li 0.9422353 -0.0253764 0.0025739 -0.0334887 1.0078323 0.0035162 0.0016481 -0.0086530 1.1071799 38 Li 0.9422353 0.0253764 -0.0025739 0.0334887 1.0078323 0.0035162 -0.0016481 -0.0086530 1.1071799 39 Li 0.9422353 0.0253764 0.0025739 0.0334887 1.0078323 -0.0035162 0.0016481 0.0086530 1.1071799 40 Li 0.9422353 -0.0253764 -0.0025739 -0.0334887 1.0078323 -0.0035162 -0.0016481 0.0086530 1.1071799 41 B 2.4489974 0.1882803 0.1376360 -0.0915746 2.2442985 -0.1428938 0.0392521 0.0272538 1.9041001 42 B 2.4489974 -0.1882803 -0.1376360 0.0915746 2.2442985 -0.1428938 -0.0392521 0.0272538 1.9041001 43 B 2.4489974 -0.1882803 0.1376360 0.0915746 2.2442985 0.1428938 0.0392521 -0.0272538 1.9041001 44 B 2.4489974 0.1882803 -0.1376360 -0.0915746 2.2442985 0.1428938 -0.0392521 -0.0272538 1.9041001 45 B 2.4489974 0.1882803 0.1376360 -0.0915746 2.2442985 -0.1428938 0.0392521 0.0272538 1.9041001 46 B 2.4489974 -0.1882803 -0.1376360 0.0915746 2.2442985 -0.1428938 -0.0392521 0.0272538 1.9041001 47 B 2.4489974 -0.1882803 0.1376360 0.0915746 2.2442985 0.1428938 0.0392521 -0.0272538 1.9041001 48 B 2.4489974 0.1882803 -0.1376360 -0.0915746 2.2442985 0.1428938 -0.0392521 -0.0272538 1.9041001 49 O -2.1409747 -0.0758585 0.1646483 -0.0150631 -1.0560950 -0.0410854 0.2814176 -0.0719022 -1.4685643 50 O -2.1409747 0.0758585 -0.1646483 0.0150631 -1.0560950 -0.0410854 -0.2814176 -0.0719022 -1.4685643 51 O -2.1409747 0.0758585 0.1646483 0.0150631 -1.0560950 0.0410854 0.2814176 0.0719022 -1.4685643 52 O -2.1409747 -0.0758585 -0.1646483 -0.0150631 -1.0560950 0.0410854 -0.2814176 0.0719022 -1.4685643 53 O -2.1409747 -0.0758585 0.1646483 -0.0150631 -1.0560950 -0.0410854 0.2814176 -0.0719022 -1.4685643 54 O -2.1409747 0.0758585 -0.1646483 0.0150631 -1.0560950 -0.0410854 -0.2814176 -0.0719022 -1.4685643 55 O -2.1409747 0.0758585 0.1646483 0.0150631 -1.0560950 0.0410854 0.2814176 0.0719022 -1.4685643 56 O -2.1409747 -0.0758585 -0.1646483 -0.0150631 -1.0560950 0.0410854 -0.2814176 0.0719022 -1.4685643 57 O -1.7187405 -0.2158008 -0.3871963 -0.1511766 -1.2585625 -0.0124945 -0.4013968 -0.0058326 -1.5725543 58 O -1.7187405 0.2158008 0.3871963 0.1511766 -1.2585625 -0.0124945 0.4013968 -0.0058326 -1.5725543 59 O -1.7187405 0.2158008 -0.3871963 0.1511766 -1.2585625 0.0124945 -0.4013968 0.0058326 -1.5725543 60 O -1.7187405 -0.2158008 0.3871963 -0.1511766 -1.2585625 0.0124945 0.4013968 0.0058326 -1.5725543 61 O -1.7187405 -0.2158008 -0.3871963 -0.1511766 -1.2585625 -0.0124945 -0.4013968 -0.0058326 -1.5725543 62 O -1.7187405 0.2158008 0.3871963 0.1511766 -1.2585625 -0.0124945 0.4013968 -0.0058326 -1.5725543 63 O -1.7187405 0.2158008 -0.3871963 0.1511766 -1.2585625 0.0124945 -0.4013968 0.0058326 -1.5725543 64 O -1.7187405 -0.2158008 0.3871963 -0.1511766 -1.2585625 0.0124945 0.4013968 0.0058326 -1.5725543 65 O -1.3529176 -0.0035304 0.0822623 0.0260370 -1.4326445 0.3763671 0.1140989 0.3086501 -1.5328229 66 O -1.3529176 0.0035304 -0.0822623 -0.0260370 -1.4326445 0.3763671 -0.1140989 0.3086501 -1.5328229 67 O -1.3529176 0.0035304 0.0822623 -0.0260370 -1.4326445 -0.3763671 0.1140989 -0.3086501 -1.5328229 68 O -1.3529176 -0.0035304 -0.0822623 0.0260370 -1.4326445 -0.3763671 -0.1140989 -0.3086501 -1.5328229 69 O -1.3529176 -0.0035304 0.0822623 0.0260370 -1.4326445 0.3763671 0.1140989 0.3086501 -1.5328229 70 O -1.3529176 0.0035304 -0.0822623 -0.0260370 -1.4326445 0.3763671 -0.1140989 0.3086501 -1.5328229 71 O -1.3529176 0.0035304 0.0822623 -0.0260370 -1.4326445 -0.3763671 0.1140989 -0.3086501 -1.5328229 72 O -1.3529176 -0.0035304 -0.0822623 0.0260370 -1.4326445 -0.3763671 -0.1140989 -0.3086501 -1.5328229 73 O -1.4742189 0.1297088 0.2797408 0.2395381 -1.6666005 -0.1833990 0.2481087 -0.1620474 -1.1688626 74 O -1.4742189 -0.1297088 -0.2797408 -0.2395381 -1.6666005 -0.1833990 -0.2481087 -0.1620474 -1.1688626 75 O -1.4742189 -0.1297088 0.2797408 -0.2395381 -1.6666005 0.1833990 0.2481087 0.1620474 -1.1688626 76 O -1.4742189 0.1297088 -0.2797408 0.2395381 -1.6666005 0.1833990 -0.2481087 0.1620474 -1.1688626 77 O -1.4742189 0.1297088 0.2797408 0.2395381 -1.6666005 -0.1833990 0.2481087 -0.1620474 -1.1688626 78 O -1.4742189 -0.1297088 -0.2797408 -0.2395381 -1.6666005 -0.1833990 -0.2481087 -0.1620474 -1.1688626 79 O -1.4742189 -0.1297088 0.2797408 -0.2395381 -1.6666005 0.1833990 0.2481087 0.1620474 -1.1688626 80 O -1.4742189 0.1297088 -0.2797408 0.2395381 -1.6666005 0.1833990 -0.2481087 0.1620474 -1.1688626 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 (zxy) 0.00000000 (xzy) 0.00000000 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 05:33:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:33:06]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.602676790000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.373797819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.159584949999999 Atomic positions (fractional): 1 H 0.93327048918697 0.71200960501522 0.42867762493844 1.008 2 H 0.43327048918697 0.78799039498478 0.57132237506156 1.008 3 H 0.06672951081303 0.21200960501522 0.07132237506156 1.008 4 H 0.56672951081303 0.28799039498478 0.92867762493844 1.008 5 H 0.06672951081303 0.28799039498478 0.57132237506156 1.008 6 H 0.56672951081303 0.21200960501522 0.42867762493844 1.008 7 H 0.93327048918697 0.78799039498478 0.92867762493844 1.008 8 H 0.43327048918697 0.71200960501522 0.07132237506156 1.008 9 H 0.97731376915045 0.61645440233233 0.24720123023353 1.008 10 H 0.47731376915045 0.88354559766767 0.75279876976647 1.008 11 H 0.02268623084955 0.11645440233233 0.25279876976647 1.008 12 H 0.52268623084955 0.38354559766767 0.74720123023353 1.008 13 H 0.02268623084955 0.38354559766767 0.75279876976647 1.008 14 H 0.52268623084955 0.11645440233233 0.24720123023353 1.008 15 H 0.97731376915045 0.88354559766767 0.74720123023353 1.008 16 H 0.47731376915045 0.61645440233233 0.25279876976647 1.008 17 H 0.10542535791044 0.97919176244466 0.41100988132681 1.008 18 H 0.60542535791043 0.52080823755534 0.58899011867319 1.008 19 H 0.89457464208957 0.47919176244466 0.08899011867319 1.008 20 H 0.39457464208956 0.02080823755534 0.91100988132681 1.008 21 H 0.89457464208957 0.02080823755534 0.58899011867319 1.008 22 H 0.39457464208956 0.47919176244466 0.41100988132681 1.008 23 H 0.10542535791044 0.52080823755534 0.91100988132681 1.008 24 H 0.60542535791043 0.97919176244466 0.08899011867319 1.008 25 H 0.65131732375285 0.89314565721656 0.47574941123918 1.008 26 H 0.15131732375285 0.60685434278344 0.52425058876082 1.008 27 H 0.34868267624715 0.39314565721656 0.02425058876082 1.008 28 H 0.84868267624715 0.10685434278344 0.97574941123918 1.008 29 H 0.34868267624715 0.10685434278344 0.52425058876082 1.008 30 H 0.84868267624715 0.39314565721656 0.47574941123918 1.008 31 H 0.65131732375285 0.60685434278344 0.97574941123918 1.008 32 H 0.15131732375285 0.89314565721656 0.02425058876082 1.008 33 Li 0.37694996533002 0.87450094519381 0.30316645054068 6.941 34 Li 0.87694996533002 0.62549905480619 0.69683354945932 6.941 35 Li 0.62305003466998 0.37450094519381 0.19683354945932 6.941 36 Li 0.12305003466998 0.12549905480619 0.80316645054068 6.941 37 Li 0.62305003466998 0.12549905480619 0.69683354945932 6.941 38 Li 0.12305003466998 0.37450094519381 0.30316645054068 6.941 39 Li 0.37694996533002 0.62549905480619 0.80316645054068 6.941 40 Li 0.87694996533002 0.87450094519381 0.19683354945932 6.941 41 B 0.67412527188141 0.65657842690481 0.41032845764483 10.811 42 B 0.17412527188141 0.84342157309519 0.58967154235517 10.811 43 B 0.32587472811859 0.15657842690481 0.08967154235517 10.811 44 B 0.82587472811859 0.34342157309519 0.91032845764483 10.811 45 B 0.32587472811859 0.34342157309519 0.58967154235517 10.811 46 B 0.82587472811859 0.15657842690481 0.41032845764483 10.811 47 B 0.67412527188141 0.84342157309519 0.91032845764483 10.811 48 B 0.17412527188141 0.65657842690481 0.08967154235517 10.811 49 O 0.84425915129518 0.70480969640902 0.34536052074106 15.999 50 O 0.34425915129518 0.79519030359098 0.65463947925894 15.999 51 O 0.15574084870482 0.20480969640902 0.15463947925894 15.999 52 O 0.65574084870482 0.29519030359098 0.84536052074106 15.999 53 O 0.15574084870482 0.29519030359098 0.65463947925894 15.999 54 O 0.65574084870482 0.20480969640902 0.34536052074106 15.999 55 O 0.84425915129518 0.79519030359098 0.84536052074106 15.999 56 O 0.34425915129518 0.70480969640902 0.15463947925894 15.999 57 O 0.56508414201174 0.55606767905035 0.31589266374701 15.999 58 O 0.06508414201174 0.94393232094965 0.68410733625299 15.999 59 O 0.43491585798826 0.05606767905035 0.18410733625299 15.999 60 O 0.93491585798826 0.44393232094965 0.81589266374701 15.999 61 O 0.43491585798826 0.44393232094965 0.68410733625299 15.999 62 O 0.93491585798826 0.05606767905035 0.31589266374701 15.999 63 O 0.56508414201174 0.94393232094965 0.81589266374701 15.999 64 O 0.06508414201174 0.55606767905035 0.18410733625299 15.999 65 O 0.71604264921708 0.56426073271904 0.54346254313386 15.999 66 O 0.21604264921708 0.93573926728096 0.45653745686614 15.999 67 O 0.28395735078292 0.06426073271904 0.95653745686614 15.999 68 O 0.78395735078292 0.43573926728096 0.04346254313386 15.999 69 O 0.28395735078292 0.43573926728096 0.45653745686614 15.999 70 O 0.78395735078292 0.06426073271904 0.54346254313386 15.999 71 O 0.71604264921708 0.93573926728096 0.04346254313386 15.999 72 O 0.21604264921708 0.56426073271904 0.95653745686614 15.999 73 O 0.57147958003032 0.80579633309089 0.44138334731438 15.999 74 O 0.07147958003032 0.69420366690911 0.55861665268562 15.999 75 O 0.42852041996968 0.30579633309089 0.05861665268562 15.999 76 O 0.92852041996968 0.19420366690911 0.94138334731438 15.999 77 O 0.42852041996968 0.19420366690911 0.55861665268562 15.999 78 O 0.92852041996968 0.30579633309089 0.44138334731438 15.999 79 O 0.57147958003032 0.69420366690911 0.94138334731438 15.999 80 O 0.07147958003032 0.80579633309089 0.05861665268562 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.602676790000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.373797819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.159584949999999 Atomic positions (fractional): 1 H 0.93327048918697 0.71200960501522 0.42867762493844 1.008 > 1 2 H 0.43327048918697 0.78799039498478 0.57132237506156 1.008 > 2 3 H 0.06672951081303 0.21200960501522 0.07132237506156 1.008 > 3 4 H 0.56672951081303 0.28799039498478 0.92867762493844 1.008 > 4 5 H 0.06672951081303 0.28799039498478 0.57132237506156 1.008 > 5 6 H 0.56672951081303 0.21200960501522 0.42867762493844 1.008 > 6 7 H 0.93327048918697 0.78799039498478 0.92867762493844 1.008 > 7 8 H 0.43327048918697 0.71200960501522 0.07132237506156 1.008 > 8 9 H 0.97731376915045 0.61645440233233 0.24720123023353 1.008 > 9 10 H 0.47731376915045 0.88354559766767 0.75279876976647 1.008 > 10 11 H 0.02268623084955 0.11645440233233 0.25279876976647 1.008 > 11 12 H 0.52268623084955 0.38354559766767 0.74720123023353 1.008 > 12 13 H 0.02268623084955 0.38354559766767 0.75279876976647 1.008 > 13 14 H 0.52268623084955 0.11645440233233 0.24720123023353 1.008 > 14 15 H 0.97731376915045 0.88354559766767 0.74720123023353 1.008 > 15 16 H 0.47731376915045 0.61645440233233 0.25279876976647 1.008 > 16 17 H 0.10542535791044 0.97919176244466 0.41100988132681 1.008 > 17 18 H 0.60542535791043 0.52080823755534 0.58899011867319 1.008 > 18 19 H 0.89457464208957 0.47919176244466 0.08899011867319 1.008 > 19 20 H 0.39457464208956 0.02080823755534 0.91100988132681 1.008 > 20 21 H 0.89457464208957 0.02080823755534 0.58899011867319 1.008 > 21 22 H 0.39457464208956 0.47919176244466 0.41100988132681 1.008 > 22 23 H 0.10542535791044 0.52080823755534 0.91100988132681 1.008 > 23 24 H 0.60542535791043 0.97919176244466 0.08899011867319 1.008 > 24 25 H 0.65131732375285 0.89314565721656 0.47574941123918 1.008 > 25 26 H 0.15131732375285 0.60685434278344 0.52425058876082 1.008 > 26 27 H 0.34868267624715 0.39314565721656 0.02425058876082 1.008 > 27 28 H 0.84868267624715 0.10685434278344 0.97574941123918 1.008 > 28 29 H 0.34868267624715 0.10685434278344 0.52425058876082 1.008 > 29 30 H 0.84868267624715 0.39314565721656 0.47574941123918 1.008 > 30 31 H 0.65131732375285 0.60685434278344 0.97574941123918 1.008 > 31 32 H 0.15131732375285 0.89314565721656 0.02425058876082 1.008 > 32 33 Li 0.37694996533002 0.87450094519381 0.30316645054068 6.941 > 33 34 Li 0.87694996533002 0.62549905480619 0.69683354945932 6.941 > 34 35 Li 0.62305003466998 0.37450094519381 0.19683354945932 6.941 > 35 36 Li 0.12305003466998 0.12549905480619 0.80316645054068 6.941 > 36 37 Li 0.62305003466998 0.12549905480619 0.69683354945932 6.941 > 37 38 Li 0.12305003466998 0.37450094519381 0.30316645054068 6.941 > 38 39 Li 0.37694996533002 0.62549905480619 0.80316645054068 6.941 > 39 40 Li 0.87694996533002 0.87450094519381 0.19683354945932 6.941 > 40 41 B 0.67412527188141 0.65657842690481 0.41032845764483 10.811 > 41 42 B 0.17412527188141 0.84342157309519 0.58967154235517 10.811 > 42 43 B 0.32587472811859 0.15657842690481 0.08967154235517 10.811 > 43 44 B 0.82587472811859 0.34342157309519 0.91032845764483 10.811 > 44 45 B 0.32587472811859 0.34342157309519 0.58967154235517 10.811 > 45 46 B 0.82587472811859 0.15657842690481 0.41032845764483 10.811 > 46 47 B 0.67412527188141 0.84342157309519 0.91032845764483 10.811 > 47 48 B 0.17412527188141 0.65657842690481 0.08967154235517 10.811 > 48 49 O 0.84425915129518 0.70480969640902 0.34536052074106 15.999 > 49 50 O 0.34425915129518 0.79519030359098 0.65463947925894 15.999 > 50 51 O 0.15574084870482 0.20480969640902 0.15463947925894 15.999 > 51 52 O 0.65574084870482 0.29519030359098 0.84536052074106 15.999 > 52 53 O 0.15574084870482 0.29519030359098 0.65463947925894 15.999 > 53 54 O 0.65574084870482 0.20480969640902 0.34536052074106 15.999 > 54 55 O 0.84425915129518 0.79519030359098 0.84536052074106 15.999 > 55 56 O 0.34425915129518 0.70480969640902 0.15463947925894 15.999 > 56 57 O 0.56508414201174 0.55606767905035 0.31589266374701 15.999 > 57 58 O 0.06508414201174 0.94393232094965 0.68410733625299 15.999 > 58 59 O 0.43491585798826 0.05606767905035 0.18410733625299 15.999 > 59 60 O 0.93491585798826 0.44393232094965 0.81589266374701 15.999 > 60 61 O 0.43491585798826 0.44393232094965 0.68410733625299 15.999 > 61 62 O 0.93491585798826 0.05606767905035 0.31589266374701 15.999 > 62 63 O 0.56508414201174 0.94393232094965 0.81589266374701 15.999 > 63 64 O 0.06508414201174 0.55606767905035 0.18410733625299 15.999 > 64 65 O 0.71604264921708 0.56426073271904 0.54346254313386 15.999 > 65 66 O 0.21604264921708 0.93573926728096 0.45653745686614 15.999 > 66 67 O 0.28395735078292 0.06426073271904 0.95653745686614 15.999 > 67 68 O 0.78395735078292 0.43573926728096 0.04346254313386 15.999 > 68 69 O 0.28395735078292 0.43573926728096 0.45653745686614 15.999 > 69 70 O 0.78395735078292 0.06426073271904 0.54346254313386 15.999 > 70 71 O 0.71604264921708 0.93573926728096 0.04346254313386 15.999 > 71 72 O 0.21604264921708 0.56426073271904 0.95653745686614 15.999 > 72 73 O 0.57147958003032 0.80579633309089 0.44138334731438 15.999 > 73 74 O 0.07147958003032 0.69420366690911 0.55861665268562 15.999 > 74 75 O 0.42852041996968 0.30579633309089 0.05861665268562 15.999 > 75 76 O 0.92852041996968 0.19420366690911 0.94138334731438 15.999 > 76 77 O 0.42852041996968 0.19420366690911 0.55861665268562 15.999 > 77 78 O 0.92852041996968 0.30579633309089 0.44138334731438 15.999 > 78 79 O 0.57147958003032 0.69420366690911 0.94138334731438 15.999 > 79 80 O 0.07147958003032 0.80579633309089 0.05861665268562 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6054139 0.0000000 0.0000000 0.0000000 2.4590622 0.0000000 0.0000000 0.0000000 2.4723239 -------------------------- Born effective charges -------------------------- 1 H 0.9498299 -0.0061571 0.6831701 0.0816896 0.3377160 0.0497739 0.5840653 -0.0073850 0.8802604 2 H 0.9498299 0.0061571 -0.6831701 -0.0816896 0.3377160 0.0497739 -0.5840653 -0.0073850 0.8802604 3 H 0.9498299 0.0061571 0.6831701 -0.0816896 0.3377160 -0.0497739 0.5840653 0.0073850 0.8802604 4 H 0.9498299 -0.0061571 -0.6831701 0.0816896 0.3377160 -0.0497739 -0.5840653 0.0073850 0.8802604 5 H 0.9498299 -0.0061571 0.6831701 0.0816896 0.3377160 0.0497739 0.5840653 -0.0073850 0.8802604 6 H 0.9498299 0.0061571 -0.6831701 -0.0816896 0.3377160 0.0497739 -0.5840653 -0.0073850 0.8802604 7 H 0.9498299 0.0061571 0.6831701 -0.0816896 0.3377160 -0.0497739 0.5840653 0.0073850 0.8802604 8 H 0.9498299 -0.0061571 -0.6831701 0.0816896 0.3377160 -0.0497739 -0.5840653 0.0073850 0.8802604 9 H 0.9037756 -0.3691388 -0.5240164 -0.3139555 0.4678197 0.2690849 -0.6239446 0.3787680 0.8926248 10 H 0.9037756 0.3691388 0.5240164 0.3139555 0.4678197 0.2690849 0.6239446 0.3787680 0.8926248 11 H 0.9037756 0.3691388 -0.5240164 0.3139555 0.4678197 -0.2690849 -0.6239446 -0.3787680 0.8926248 12 H 0.9037756 -0.3691388 0.5240164 -0.3139555 0.4678197 -0.2690849 0.6239446 -0.3787680 0.8926248 13 H 0.9037756 -0.3691388 -0.5240164 -0.3139555 0.4678197 0.2690849 -0.6239446 0.3787680 0.8926248 14 H 0.9037756 0.3691388 0.5240164 0.3139555 0.4678197 0.2690849 0.6239446 0.3787680 0.8926248 15 H 0.9037756 0.3691388 -0.5240164 0.3139555 0.4678197 -0.2690849 -0.6239446 -0.3787680 0.8926248 16 H 0.9037756 -0.3691388 0.5240164 -0.3139555 0.4678197 -0.2690849 0.6239446 -0.3787680 0.8926248 17 H 0.8682512 -0.3162668 0.3640570 -0.3457075 0.5002028 -0.2145261 0.3936733 -0.2033889 0.5805120 18 H 0.8682512 0.3162668 -0.3640570 0.3457075 0.5002028 -0.2145261 -0.3936733 -0.2033889 0.5805120 19 H 0.8682512 0.3162668 0.3640570 0.3457075 0.5002028 0.2145261 0.3936733 0.2033889 0.5805120 20 H 0.8682512 -0.3162668 -0.3640570 -0.3457075 0.5002028 0.2145261 -0.3936733 0.2033889 0.5805120 21 H 0.8682512 -0.3162668 0.3640570 -0.3457075 0.5002028 -0.2145261 0.3936733 -0.2033889 0.5805120 22 H 0.8682512 0.3162668 -0.3640570 0.3457075 0.5002028 -0.2145261 -0.3936733 -0.2033889 0.5805120 23 H 0.8682512 0.3162668 0.3640570 0.3457075 0.5002028 0.2145261 0.3936733 0.2033889 0.5805120 24 H 0.8682512 -0.3162668 -0.3640570 -0.3457075 0.5002028 0.2145261 -0.3936733 0.2033889 0.5805120 25 H 0.5737622 0.3452235 0.0971992 0.3535415 0.8560331 0.1788858 0.0785823 0.1352209 0.3781270 26 H 0.5737622 -0.3452235 -0.0971992 -0.3535415 0.8560331 0.1788858 -0.0785823 0.1352209 0.3781270 27 H 0.5737622 -0.3452235 0.0971992 -0.3535415 0.8560331 -0.1788858 0.0785823 -0.1352209 0.3781270 28 H 0.5737622 0.3452235 -0.0971992 0.3535415 0.8560331 -0.1788858 -0.0785823 -0.1352209 0.3781270 29 H 0.5737622 0.3452235 0.0971992 0.3535415 0.8560331 0.1788858 0.0785823 0.1352209 0.3781270 30 H 0.5737622 -0.3452235 -0.0971992 -0.3535415 0.8560331 0.1788858 -0.0785823 0.1352209 0.3781270 31 H 0.5737622 -0.3452235 0.0971992 -0.3535415 0.8560331 -0.1788858 0.0785823 -0.1352209 0.3781270 32 H 0.5737622 0.3452235 -0.0971992 0.3535415 0.8560331 -0.1788858 -0.0785823 -0.1352209 0.3781270 33 Li 0.9422353 -0.0253764 0.0025739 -0.0334887 1.0078323 0.0035162 0.0016481 -0.0086530 1.1071799 34 Li 0.9422353 0.0253764 -0.0025739 0.0334887 1.0078323 0.0035162 -0.0016481 -0.0086530 1.1071799 35 Li 0.9422353 0.0253764 0.0025739 0.0334887 1.0078323 -0.0035162 0.0016481 0.0086530 1.1071799 36 Li 0.9422353 -0.0253764 -0.0025739 -0.0334887 1.0078323 -0.0035162 -0.0016481 0.0086530 1.1071799 37 Li 0.9422353 -0.0253764 0.0025739 -0.0334887 1.0078323 0.0035162 0.0016481 -0.0086530 1.1071799 38 Li 0.9422353 0.0253764 -0.0025739 0.0334887 1.0078323 0.0035162 -0.0016481 -0.0086530 1.1071799 39 Li 0.9422353 0.0253764 0.0025739 0.0334887 1.0078323 -0.0035162 0.0016481 0.0086530 1.1071799 40 Li 0.9422353 -0.0253764 -0.0025739 -0.0334887 1.0078323 -0.0035162 -0.0016481 0.0086530 1.1071799 41 B 2.4489974 0.1882803 0.1376360 -0.0915746 2.2442985 -0.1428938 0.0392521 0.0272538 1.9041001 42 B 2.4489974 -0.1882803 -0.1376360 0.0915746 2.2442985 -0.1428938 -0.0392521 0.0272538 1.9041001 43 B 2.4489974 -0.1882803 0.1376360 0.0915746 2.2442985 0.1428938 0.0392521 -0.0272538 1.9041001 44 B 2.4489974 0.1882803 -0.1376360 -0.0915746 2.2442985 0.1428938 -0.0392521 -0.0272538 1.9041001 45 B 2.4489974 0.1882803 0.1376360 -0.0915746 2.2442985 -0.1428938 0.0392521 0.0272538 1.9041001 46 B 2.4489974 -0.1882803 -0.1376360 0.0915746 2.2442985 -0.1428938 -0.0392521 0.0272538 1.9041001 47 B 2.4489974 -0.1882803 0.1376360 0.0915746 2.2442985 0.1428938 0.0392521 -0.0272538 1.9041001 48 B 2.4489974 0.1882803 -0.1376360 -0.0915746 2.2442985 0.1428938 -0.0392521 -0.0272538 1.9041001 49 O -2.1409747 -0.0758585 0.1646483 -0.0150631 -1.0560950 -0.0410854 0.2814176 -0.0719022 -1.4685643 50 O -2.1409747 0.0758585 -0.1646483 0.0150631 -1.0560950 -0.0410854 -0.2814176 -0.0719022 -1.4685643 51 O -2.1409747 0.0758585 0.1646483 0.0150631 -1.0560950 0.0410854 0.2814176 0.0719022 -1.4685643 52 O -2.1409747 -0.0758585 -0.1646483 -0.0150631 -1.0560950 0.0410854 -0.2814176 0.0719022 -1.4685643 53 O -2.1409747 -0.0758585 0.1646483 -0.0150631 -1.0560950 -0.0410854 0.2814176 -0.0719022 -1.4685643 54 O -2.1409747 0.0758585 -0.1646483 0.0150631 -1.0560950 -0.0410854 -0.2814176 -0.0719022 -1.4685643 55 O -2.1409747 0.0758585 0.1646483 0.0150631 -1.0560950 0.0410854 0.2814176 0.0719022 -1.4685643 56 O -2.1409747 -0.0758585 -0.1646483 -0.0150631 -1.0560950 0.0410854 -0.2814176 0.0719022 -1.4685643 57 O -1.7187405 -0.2158008 -0.3871963 -0.1511766 -1.2585625 -0.0124945 -0.4013968 -0.0058326 -1.5725543 58 O -1.7187405 0.2158008 0.3871963 0.1511766 -1.2585625 -0.0124945 0.4013968 -0.0058326 -1.5725543 59 O -1.7187405 0.2158008 -0.3871963 0.1511766 -1.2585625 0.0124945 -0.4013968 0.0058326 -1.5725543 60 O -1.7187405 -0.2158008 0.3871963 -0.1511766 -1.2585625 0.0124945 0.4013968 0.0058326 -1.5725543 61 O -1.7187405 -0.2158008 -0.3871963 -0.1511766 -1.2585625 -0.0124945 -0.4013968 -0.0058326 -1.5725543 62 O -1.7187405 0.2158008 0.3871963 0.1511766 -1.2585625 -0.0124945 0.4013968 -0.0058326 -1.5725543 63 O -1.7187405 0.2158008 -0.3871963 0.1511766 -1.2585625 0.0124945 -0.4013968 0.0058326 -1.5725543 64 O -1.7187405 -0.2158008 0.3871963 -0.1511766 -1.2585625 0.0124945 0.4013968 0.0058326 -1.5725543 65 O -1.3529176 -0.0035304 0.0822623 0.0260370 -1.4326445 0.3763671 0.1140989 0.3086501 -1.5328229 66 O -1.3529176 0.0035304 -0.0822623 -0.0260370 -1.4326445 0.3763671 -0.1140989 0.3086501 -1.5328229 67 O -1.3529176 0.0035304 0.0822623 -0.0260370 -1.4326445 -0.3763671 0.1140989 -0.3086501 -1.5328229 68 O -1.3529176 -0.0035304 -0.0822623 0.0260370 -1.4326445 -0.3763671 -0.1140989 -0.3086501 -1.5328229 69 O -1.3529176 -0.0035304 0.0822623 0.0260370 -1.4326445 0.3763671 0.1140989 0.3086501 -1.5328229 70 O -1.3529176 0.0035304 -0.0822623 -0.0260370 -1.4326445 0.3763671 -0.1140989 0.3086501 -1.5328229 71 O -1.3529176 0.0035304 0.0822623 -0.0260370 -1.4326445 -0.3763671 0.1140989 -0.3086501 -1.5328229 72 O -1.3529176 -0.0035304 -0.0822623 0.0260370 -1.4326445 -0.3763671 -0.1140989 -0.3086501 -1.5328229 73 O -1.4742189 0.1297088 0.2797408 0.2395381 -1.6666005 -0.1833990 0.2481087 -0.1620474 -1.1688626 74 O -1.4742189 -0.1297088 -0.2797408 -0.2395381 -1.6666005 -0.1833990 -0.2481087 -0.1620474 -1.1688626 75 O -1.4742189 -0.1297088 0.2797408 -0.2395381 -1.6666005 0.1833990 0.2481087 0.1620474 -1.1688626 76 O -1.4742189 0.1297088 -0.2797408 0.2395381 -1.6666005 0.1833990 -0.2481087 0.1620474 -1.1688626 77 O -1.4742189 0.1297088 0.2797408 0.2395381 -1.6666005 -0.1833990 0.2481087 -0.1620474 -1.1688626 78 O -1.4742189 -0.1297088 -0.2797408 -0.2395381 -1.6666005 -0.1833990 -0.2481087 -0.1620474 -1.1688626 79 O -1.4742189 -0.1297088 0.2797408 -0.2395381 -1.6666005 0.1833990 0.2481087 0.1620474 -1.1688626 80 O -1.4742189 0.1297088 -0.2797408 0.2395381 -1.6666005 0.1833990 -0.2481087 0.1620474 -1.1688626 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zxy) 0.00000000 (xzy) 0.00000000 (xyz) Max drift of fc2: -0.00000000 (zy) -0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 299, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.139 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 8.630 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 8.873 ( 0.000 0.000 0.000) 0.000 9.835 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 10.067 ( 0.000 0.000 0.000) 0.000 10.198 ( 0.000 0.000 0.000) 0.000 10.462 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.876 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 11.027 ( 0.000 0.000 0.000) 0.000 11.180 ( 0.000 0.000 0.000) 0.000 11.374 ( 0.000 0.000 0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.587 ( 0.000 0.000 0.000) 0.000 11.834 ( 0.000 0.000 0.000) 0.000 11.836 ( 0.000 0.000 0.000) 0.000 11.936 ( 0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 12.028 ( 0.000 0.000 0.000) 0.000 12.325 ( 0.000 0.000 0.000) 0.000 12.356 ( 0.000 0.000 0.000) 0.000 12.423 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 12.796 ( 0.000 0.000 0.000) 0.000 12.961 ( 0.000 0.000 0.000) 0.000 13.020 ( 0.000 0.000 0.000) 0.000 13.184 ( 0.000 0.000 0.000) 0.000 13.466 ( 0.000 0.000 0.000) 0.000 13.858 ( 0.000 0.000 0.000) 0.000 14.060 ( 0.000 0.000 0.000) 0.000 14.275 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 14.589 ( 0.000 0.000 0.000) 0.000 14.622 ( 0.000 0.000 0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 14.729 ( 0.000 0.000 0.000) 0.000 14.924 ( 0.000 0.000 0.000) 0.000 15.184 ( 0.000 0.000 0.000) 0.000 15.314 ( 0.000 0.000 0.000) 0.000 15.408 ( 0.000 0.000 0.000) 0.000 15.412 ( 0.000 0.000 0.000) 0.000 15.566 ( 0.000 0.000 0.000) 0.000 15.661 ( 0.000 0.000 0.000) 0.000 15.732 ( 0.000 0.000 0.000) 0.000 15.846 ( 0.000 0.000 0.000) 0.000 15.972 ( 0.000 0.000 0.000) 0.000 16.010 ( 0.000 0.000 0.000) 0.000 16.031 ( 0.000 0.000 0.000) 0.000 16.233 ( 0.000 0.000 0.000) 0.000 16.716 ( 0.000 0.000 0.000) 0.000 17.037 ( 0.000 0.000 0.000) 0.000 17.055 ( 0.000 0.000 0.000) 0.000 17.075 ( 0.000 0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 17.140 ( 0.000 0.000 0.000) 0.000 17.214 ( 0.000 0.000 0.000) 0.000 17.316 ( 0.000 0.000 0.000) 0.000 17.470 ( 0.000 0.000 0.000) 0.000 17.658 ( 0.000 0.000 0.000) 0.000 17.813 ( 0.000 0.000 0.000) 0.000 17.821 ( 0.000 0.000 0.000) 0.000 17.948 ( 0.000 0.000 0.000) 0.000 18.061 ( 0.000 0.000 0.000) 0.000 18.115 ( 0.000 0.000 0.000) 0.000 18.246 ( 0.000 0.000 0.000) 0.000 22.112 ( 0.000 0.000 0.000) 0.000 22.244 ( 0.000 0.000 0.000) 0.000 22.287 ( 0.000 0.000 0.000) 0.000 22.342 ( 0.000 0.000 0.000) 0.000 22.490 ( 0.000 0.000 0.000) 0.000 22.537 ( 0.000 0.000 0.000) 0.000 22.547 ( 0.000 0.000 0.000) 0.000 22.599 ( 0.000 0.000 0.000) 0.000 24.007 ( 0.000 0.000 0.000) 0.000 24.325 ( 0.000 0.000 0.000) 0.000 24.400 ( 0.000 0.000 0.000) 0.000 24.427 ( 0.000 0.000 0.000) 0.000 24.534 ( 0.000 0.000 0.000) 0.000 24.791 ( 0.000 0.000 0.000) 0.000 24.828 ( 0.000 0.000 0.000) 0.000 24.848 ( 0.000 0.000 0.000) 0.000 25.718 ( 0.000 0.000 0.000) 0.000 25.875 ( 0.000 0.000 0.000) 0.000 26.152 ( 0.000 0.000 0.000) 0.000 26.349 ( 0.000 0.000 0.000) 0.000 26.550 ( 0.000 0.000 0.000) 0.000 26.635 ( 0.000 0.000 0.000) 0.000 26.912 ( 0.000 0.000 0.000) 0.000 27.002 ( 0.000 0.000 0.000) 0.000 27.274 ( 0.000 0.000 0.000) 0.000 27.317 ( 0.000 0.000 0.000) 0.000 27.511 ( 0.000 0.000 0.000) 0.000 27.519 ( 0.000 0.000 0.000) 0.000 27.561 ( 0.000 0.000 0.000) 0.000 27.585 ( 0.000 0.000 0.000) 0.000 27.751 ( 0.000 0.000 0.000) 0.000 27.825 ( 0.000 0.000 0.000) 0.000 27.879 ( 0.000 0.000 0.000) 0.000 27.911 ( 0.000 0.000 0.000) 0.000 27.930 ( 0.000 0.000 0.000) 0.000 28.303 ( 0.000 0.000 0.000) 0.000 28.406 ( 0.000 0.000 0.000) 0.000 28.542 ( 0.000 0.000 0.000) 0.000 28.640 ( 0.000 0.000 0.000) 0.000 28.651 ( 0.000 0.000 0.000) 0.000 28.827 ( 0.000 0.000 0.000) 0.000 29.025 ( 0.000 0.000 0.000) 0.000 29.028 ( 0.000 0.000 0.000) 0.000 29.194 ( 0.000 0.000 0.000) 0.000 29.422 ( 0.000 0.000 0.000) 0.000 29.429 ( 0.000 0.000 0.000) 0.000 29.493 ( 0.000 0.000 0.000) 0.000 29.563 ( 0.000 0.000 0.000) 0.000 29.635 ( 0.000 0.000 0.000) 0.000 30.100 ( 0.000 0.000 0.000) 0.000 30.149 ( 0.000 0.000 0.000) 0.000 30.606 ( 0.000 0.000 0.000) 0.000 30.803 ( 0.000 0.000 0.000) 0.000 30.903 ( 0.000 0.000 0.000) 0.000 31.022 ( 0.000 0.000 0.000) 0.000 31.298 ( 0.000 0.000 0.000) 0.000 32.806 ( 0.000 0.000 0.000) 0.000 32.975 ( 0.000 0.000 0.000) 0.000 33.087 ( 0.000 0.000 0.000) 0.000 33.313 ( 0.000 0.000 0.000) 0.000 33.582 ( 0.000 0.000 0.000) 0.000 33.589 ( 0.000 0.000 0.000) 0.000 33.798 ( 0.000 0.000 0.000) 0.000 34.313 ( 0.000 0.000 0.000) 0.000 36.151 ( 0.000 0.000 0.000) 0.000 36.381 ( 0.000 0.000 0.000) 0.000 36.899 ( 0.000 0.000 0.000) 0.000 37.077 ( 0.000 0.000 0.000) 0.000 37.188 ( 0.000 0.000 0.000) 0.000 37.349 ( 0.000 0.000 0.000) 0.000 37.470 ( 0.000 0.000 0.000) 0.000 37.891 ( 0.000 0.000 0.000) 0.000 38.127 ( 0.000 0.000 0.000) 0.000 38.510 ( 0.000 0.000 0.000) 0.000 38.565 ( 0.000 0.000 0.000) 0.000 38.584 ( 0.000 0.000 0.000) 0.000 38.706 ( 0.000 0.000 0.000) 0.000 38.775 ( 0.000 0.000 0.000) 0.000 38.909 ( 0.000 0.000 0.000) 0.000 39.529 ( 0.000 0.000 0.000) 0.000 39.708 ( 0.000 0.000 0.000) 0.000 39.828 ( 0.000 0.000 0.000) 0.000 39.845 ( 0.000 0.000 0.000) 0.000 39.847 ( 0.000 0.000 0.000) 0.000 40.209 ( 0.000 0.000 0.000) 0.000 40.543 ( 0.000 0.000 0.000) 0.000 40.650 ( 0.000 0.000 0.000) 0.000 41.029 ( 0.000 0.000 0.000) 0.000 41.873 ( 0.000 0.000 0.000) 0.000 42.034 ( 0.000 0.000 0.000) 0.000 42.100 ( 0.000 0.000 0.000) 0.000 42.163 ( 0.000 0.000 0.000) 0.000 42.274 ( 0.000 0.000 0.000) 0.000 42.290 ( 0.000 0.000 0.000) 0.000 42.634 ( 0.000 0.000 0.000) 0.000 42.635 ( 0.000 0.000 0.000) 0.000 83.283 ( 0.000 0.000 0.000) 0.000 83.423 ( 0.000 0.000 0.000) 0.000 83.426 ( 0.000 0.000 0.000) 0.000 83.446 ( 0.000 0.000 0.000) 0.000 83.807 ( 0.000 0.000 0.000) 0.000 84.025 ( 0.000 0.000 0.000) 0.000 84.069 ( 0.000 0.000 0.000) 0.000 84.434 ( 0.000 0.000 0.000) 0.000 87.388 ( 0.000 0.000 0.000) 0.000 87.869 ( 0.000 0.000 0.000) 0.000 87.869 ( 0.000 0.000 0.000) 0.000 88.662 ( 0.000 0.000 0.000) 0.000 88.776 ( 0.000 0.000 0.000) 0.000 88.788 ( 0.000 0.000 0.000) 0.000 89.050 ( 0.000 0.000 0.000) 0.000 89.488 ( 0.000 0.000 0.000) 0.000 92.725 ( 0.000 0.000 0.000) 0.000 92.834 ( 0.000 0.000 0.000) 0.000 93.236 ( 0.000 0.000 0.000) 0.000 93.307 ( 0.000 0.000 0.000) 0.000 93.469 ( 0.000 0.000 0.000) 0.000 93.721 ( 0.000 0.000 0.000) 0.000 94.647 ( 0.000 0.000 0.000) 0.000 95.689 ( 0.000 0.000 0.000) 0.000 96.772 ( 0.000 0.000 0.000) 0.000 96.776 ( 0.000 0.000 0.000) 0.000 97.125 ( 0.000 0.000 0.000) 0.000 97.396 ( 0.000 0.000 0.000) 0.000 97.734 ( 0.000 0.000 0.000) 0.000 97.811 ( 0.000 0.000 0.000) 0.000 98.455 ( 0.000 0.000 0.000) 0.000 98.476 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 33.807 0.000 0.000) 33.807 0.939 ( 48.773 0.000 0.000) 48.773 1.324 ( 67.669 0.000 0.000) 67.669 2.593 ( 10.390 0.000 0.000) 10.390 3.282 ( -9.571 0.000 0.000) 9.571 3.524 ( 1.071 0.000 0.000) 1.071 3.576 ( 19.711 0.000 0.000) 19.711 3.726 ( -0.997 0.000 0.000) 0.997 3.911 ( 11.494 0.000 0.000) 11.494 3.977 ( 6.496 0.000 0.000) 6.496 3.981 ( -9.680 0.000 0.000) 9.680 4.221 ( -0.195 0.000 0.000) 0.195 4.374 ( 4.177 0.000 0.000) 4.177 4.494 ( -1.636 0.000 0.000) 1.636 4.527 ( -12.297 0.000 0.000) 12.297 4.540 ( -4.580 0.000 0.000) 4.580 4.756 ( -7.273 0.000 0.000) 7.273 4.862 ( 1.713 0.000 0.000) 1.713 5.041 ( -6.042 0.000 0.000) 6.042 5.144 ( 5.362 0.000 0.000) 5.362 5.185 ( -6.055 0.000 0.000) 6.055 5.287 ( -12.651 0.000 0.000) 12.651 5.451 ( -4.194 0.000 0.000) 4.194 5.471 ( 14.324 0.000 0.000) 14.324 5.498 ( 16.158 0.000 0.000) 16.158 5.838 ( -1.388 0.000 0.000) 1.388 5.933 ( 5.563 0.000 0.000) 5.563 6.093 ( -2.053 0.000 0.000) 2.053 6.152 ( -3.581 0.000 0.000) 3.581 6.395 ( -2.784 0.000 0.000) 2.784 6.661 ( -7.771 0.000 0.000) 7.771 6.750 ( 7.435 0.000 0.000) 7.435 6.769 ( 1.574 0.000 0.000) 1.574 6.838 ( -11.032 0.000 0.000) 11.032 6.951 ( 7.328 0.000 0.000) 7.328 7.070 ( -5.670 0.000 0.000) 5.670 7.482 ( -3.841 0.000 0.000) 3.841 7.591 ( -14.829 0.000 0.000) 14.829 7.910 ( 31.890 0.000 0.000) 31.890 7.986 ( -23.120 0.000 0.000) 23.120 8.035 ( 3.926 0.000 0.000) 3.926 8.188 ( -23.290 0.000 0.000) 23.290 8.417 ( 10.535 0.000 0.000) 10.535 8.473 ( 5.873 0.000 0.000) 5.873 8.639 ( -3.439 0.000 0.000) 3.439 8.770 ( -6.336 0.000 0.000) 6.336 8.801 ( -8.164 0.000 0.000) 8.164 8.811 ( -9.294 0.000 0.000) 9.294 9.871 ( 3.065 0.000 0.000) 3.065 9.947 ( -4.075 0.000 0.000) 4.075 10.088 ( 2.069 0.000 0.000) 2.069 10.366 ( 15.436 0.000 0.000) 15.436 10.409 ( -5.247 0.000 0.000) 5.247 10.516 ( 2.586 0.000 0.000) 2.586 10.916 ( 1.079 0.000 0.000) 1.079 11.026 ( 1.269 0.000 0.000) 1.269 11.098 ( -7.426 0.000 0.000) 7.426 11.279 ( 10.579 0.000 0.000) 10.579 11.356 ( -1.937 0.000 0.000) 1.937 11.525 ( -2.609 0.000 0.000) 2.609 11.624 ( -12.496 0.000 0.000) 12.496 11.811 ( -6.448 0.000 0.000) 6.448 11.941 ( 1.052 0.000 0.000) 1.052 11.971 ( 2.517 0.000 0.000) 2.517 12.116 ( 4.456 0.000 0.000) 4.456 12.169 ( -3.425 0.000 0.000) 3.425 12.321 ( -3.627 0.000 0.000) 3.627 12.384 ( 4.902 0.000 0.000) 4.902 12.482 ( -3.871 0.000 0.000) 3.871 12.718 ( -3.183 0.000 0.000) 3.183 12.793 ( 3.705 0.000 0.000) 3.705 12.971 ( 1.098 0.000 0.000) 1.098 13.031 ( 1.117 0.000 0.000) 1.117 13.165 ( -1.877 0.000 0.000) 1.877 13.563 ( 6.341 0.000 0.000) 6.341 13.767 ( -7.422 0.000 0.000) 7.422 13.975 ( -8.260 0.000 0.000) 8.260 14.213 ( -8.224 0.000 0.000) 8.224 14.347 ( 6.577 0.000 0.000) 6.577 14.522 ( -9.957 0.000 0.000) 9.957 14.551 ( -3.668 0.000 0.000) 3.668 14.568 ( 4.703 0.000 0.000) 4.703 14.983 ( 14.294 0.000 0.000) 14.294 15.003 ( 5.676 0.000 0.000) 5.676 15.197 ( 1.647 0.000 0.000) 1.647 15.255 ( -5.838 0.000 0.000) 5.838 15.373 ( -3.652 0.000 0.000) 3.652 15.457 ( 3.287 0.000 0.000) 3.287 15.533 ( -2.650 0.000 0.000) 2.650 15.633 ( -2.115 0.000 0.000) 2.115 15.725 ( -0.804 0.000 0.000) 0.804 15.813 ( -2.993 0.000 0.000) 2.993 16.036 ( 5.801 0.000 0.000) 5.801 16.043 ( 3.284 0.000 0.000) 3.284 16.076 ( 3.814 0.000 0.000) 3.814 16.232 ( -0.087 0.000 0.000) 0.087 16.795 ( 7.023 0.000 0.000) 7.023 17.020 ( -4.746 0.000 0.000) 4.746 17.073 ( 4.319 0.000 0.000) 4.319 17.077 ( -2.299 0.000 0.000) 2.299 17.128 ( -1.129 0.000 0.000) 1.129 17.235 ( 1.984 0.000 0.000) 1.984 17.274 ( -4.014 0.000 0.000) 4.014 17.286 ( -5.199 0.000 0.000) 5.199 17.468 ( -0.018 0.000 0.000) 0.018 17.731 ( 6.438 0.000 0.000) 6.438 17.806 ( -0.841 0.000 0.000) 0.841 17.893 ( 6.106 0.000 0.000) 6.106 17.924 ( -2.411 0.000 0.000) 2.411 18.034 ( -2.878 0.000 0.000) 2.878 18.121 ( 0.271 0.000 0.000) 0.271 18.251 ( 0.548 0.000 0.000) 0.548 22.170 ( 5.728 0.000 0.000) 5.728 22.251 ( -0.315 0.000 0.000) 0.315 22.290 ( 0.173 0.000 0.000) 0.173 22.349 ( 0.833 0.000 0.000) 0.833 22.501 ( 0.999 0.000 0.000) 0.999 22.559 ( 2.208 0.000 0.000) 2.208 22.560 ( 1.289 0.000 0.000) 1.289 22.587 ( -1.300 0.000 0.000) 1.300 24.019 ( 1.353 0.000 0.000) 1.353 24.325 ( 0.041 0.000 0.000) 0.041 24.419 ( -0.909 0.000 0.000) 0.909 24.548 ( 1.531 0.000 0.000) 1.531 24.668 ( -9.143 0.000 0.000) 9.143 24.778 ( 0.497 0.000 0.000) 0.497 24.824 ( -0.456 0.000 0.000) 0.456 24.874 ( -0.502 0.000 0.000) 0.502 25.786 ( 7.375 0.000 0.000) 7.375 25.975 ( 9.752 0.000 0.000) 9.752 26.158 ( 0.759 0.000 0.000) 0.759 26.328 ( -1.990 0.000 0.000) 1.990 26.645 ( 0.733 0.000 0.000) 0.733 26.701 ( -1.790 0.000 0.000) 1.790 27.029 ( 2.137 0.000 0.000) 2.137 27.036 ( 9.733 0.000 0.000) 9.733 27.115 ( -10.725 0.000 0.000) 10.725 27.416 ( 4.948 0.000 0.000) 4.948 27.492 ( -2.537 0.000 0.000) 2.537 27.553 ( 3.520 0.000 0.000) 3.520 27.555 ( -0.608 0.000 0.000) 0.608 27.746 ( -0.561 0.000 0.000) 0.561 27.854 ( 2.873 0.000 0.000) 2.873 27.871 ( -0.056 0.000 0.000) 0.056 27.881 ( -4.568 0.000 0.000) 4.568 27.947 ( 3.685 0.000 0.000) 3.685 28.291 ( -0.956 0.000 0.000) 0.956 28.374 ( 1.942 0.000 0.000) 1.942 28.415 ( -9.227 0.000 0.000) 9.227 28.554 ( -8.232 0.000 0.000) 8.232 28.702 ( 4.781 0.000 0.000) 4.781 28.755 ( 8.027 0.000 0.000) 8.027 28.981 ( 11.095 0.000 0.000) 11.095 29.021 ( -0.170 0.000 0.000) 0.170 29.159 ( -2.315 0.000 0.000) 2.315 29.364 ( -6.237 0.000 0.000) 6.237 29.450 ( -4.185 0.000 0.000) 4.185 29.472 ( 4.852 0.000 0.000) 4.852 29.569 ( -0.280 0.000 0.000) 0.280 29.652 ( 1.338 0.000 0.000) 1.338 29.976 ( -0.733 0.000 0.000) 0.733 30.056 ( -4.639 0.000 0.000) 4.639 30.148 ( -0.567 0.000 0.000) 0.567 30.448 ( -14.011 0.000 0.000) 14.011 30.924 ( 2.745 0.000 0.000) 2.745 30.962 ( -3.949 0.000 0.000) 3.949 31.001 ( -2.170 0.000 0.000) 2.170 31.401 ( 7.940 0.000 0.000) 7.940 32.814 ( 1.085 0.000 0.000) 1.085 33.065 ( 1.157 0.000 0.000) 1.157 33.222 ( 10.963 0.000 0.000) 10.963 33.288 ( -2.316 0.000 0.000) 2.316 33.521 ( -6.797 0.000 0.000) 6.797 33.552 ( -3.311 0.000 0.000) 3.311 33.737 ( -6.171 0.000 0.000) 6.171 34.287 ( -3.002 0.000 0.000) 3.002 36.190 ( 4.226 0.000 0.000) 4.226 36.428 ( 4.836 0.000 0.000) 4.836 37.071 ( -0.920 0.000 0.000) 0.920 37.181 ( -11.611 0.000 0.000) 11.611 37.260 ( 7.225 0.000 0.000) 7.225 37.620 ( 9.139 0.000 0.000) 9.139 37.759 ( -2.386 0.000 0.000) 2.386 37.883 ( -0.952 0.000 0.000) 0.952 38.171 ( 4.343 0.000 0.000) 4.343 38.519 ( -0.550 0.000 0.000) 0.550 38.553 ( -1.265 0.000 0.000) 1.265 38.571 ( -1.168 0.000 0.000) 1.168 38.725 ( 1.934 0.000 0.000) 1.934 38.802 ( 2.407 0.000 0.000) 2.407 38.945 ( 3.988 0.000 0.000) 3.988 39.552 ( 2.460 0.000 0.000) 2.460 39.776 ( -4.470 0.000 0.000) 4.470 39.850 ( 0.564 0.000 0.000) 0.564 39.863 ( 0.521 0.000 0.000) 0.521 40.167 ( -4.112 0.000 0.000) 4.112 40.556 ( 1.304 0.000 0.000) 1.304 40.583 ( 1.420 0.000 0.000) 1.420 40.650 ( 0.166 0.000 0.000) 0.166 41.000 ( -2.950 0.000 0.000) 2.950 41.847 ( -2.104 0.000 0.000) 2.104 42.028 ( -0.805 0.000 0.000) 0.805 42.125 ( 2.111 0.000 0.000) 2.111 42.194 ( -1.343 0.000 0.000) 1.343 42.244 ( -2.759 0.000 0.000) 2.759 42.258 ( -3.014 0.000 0.000) 3.014 42.643 ( 0.820 0.000 0.000) 0.820 42.649 ( 1.399 0.000 0.000) 1.399 83.282 ( -0.113 0.000 0.000) 0.113 83.397 ( -2.147 0.000 0.000) 2.147 83.458 ( 0.797 0.000 0.000) 0.797 83.713 ( -2.996 0.000 0.000) 2.996 83.839 ( 3.267 0.000 0.000) 3.267 84.066 ( 4.137 0.000 0.000) 4.137 84.072 ( 0.325 0.000 0.000) 0.325 84.445 ( 0.951 0.000 0.000) 0.951 87.502 ( 11.603 0.000 0.000) 11.603 87.882 ( 1.460 0.000 0.000) 1.460 88.496 ( -10.791 0.000 0.000) 10.791 88.768 ( -1.502 0.000 0.000) 1.502 88.947 ( 9.975 0.000 0.000) 9.975 89.047 ( 0.096 0.000 0.000) 0.096 89.309 ( -0.932 0.000 0.000) 0.932 89.439 ( -4.769 0.000 0.000) 4.769 92.757 ( 3.294 0.000 0.000) 3.294 92.860 ( 2.667 0.000 0.000) 2.667 93.222 ( -1.425 0.000 0.000) 1.425 93.282 ( -2.581 0.000 0.000) 2.581 93.762 ( 4.175 0.000 0.000) 4.175 94.564 ( -8.225 0.000 0.000) 8.225 95.695 ( 0.716 0.000 0.000) 0.716 96.424 ( -12.704 0.000 0.000) 12.704 96.791 ( 1.950 0.000 0.000) 1.950 96.921 ( 9.821 0.000 0.000) 9.821 97.106 ( -1.883 0.000 0.000) 1.883 97.389 ( -0.718 0.000 0.000) 0.718 97.789 ( 5.498 0.000 0.000) 5.498 97.840 ( 3.059 0.000 0.000) 3.059 98.426 ( -3.122 0.000 0.000) 3.122 98.513 ( -4.762 0.000 0.000) 4.762 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 34.459 0.000 0.000) 34.459 1.808 ( 42.919 0.000 0.000) 42.919 2.387 ( 37.097 0.000 0.000) 37.097 2.969 ( 35.060 0.000 0.000) 35.060 3.044 ( -19.312 0.000 0.000) 19.312 3.475 ( -5.033 0.000 0.000) 5.033 3.596 ( -5.411 0.000 0.000) 5.411 3.818 ( -7.391 0.000 0.000) 7.391 3.828 ( -2.596 0.000 0.000) 2.596 4.086 ( -13.167 0.000 0.000) 13.167 4.146 ( 11.709 0.000 0.000) 11.709 4.150 ( 5.710 0.000 0.000) 5.710 4.282 ( -13.439 0.000 0.000) 13.439 4.453 ( 2.470 0.000 0.000) 2.470 4.580 ( 11.760 0.000 0.000) 11.760 4.624 ( 23.063 0.000 0.000) 23.063 4.829 ( 13.363 0.000 0.000) 13.363 4.902 ( 4.679 0.000 0.000) 4.679 4.932 ( -12.295 0.000 0.000) 12.295 5.070 ( 0.233 0.000 0.000) 0.233 5.144 ( 2.496 0.000 0.000) 2.496 5.218 ( 2.272 0.000 0.000) 2.272 5.393 ( -3.355 0.000 0.000) 3.355 5.687 ( 4.839 0.000 0.000) 4.839 5.764 ( 14.555 0.000 0.000) 14.555 5.815 ( -0.312 0.000 0.000) 0.312 6.016 ( 2.861 0.000 0.000) 2.861 6.065 ( -5.260 0.000 0.000) 5.260 6.112 ( 4.851 0.000 0.000) 4.851 6.203 ( -15.532 0.000 0.000) 15.532 6.588 ( -1.074 0.000 0.000) 1.074 6.715 ( -16.175 0.000 0.000) 16.175 6.745 ( -0.273 0.000 0.000) 0.273 6.888 ( -12.146 0.000 0.000) 12.146 7.025 ( 7.052 0.000 0.000) 7.052 7.035 ( 14.204 0.000 0.000) 14.204 7.168 ( -22.784 0.000 0.000) 22.784 7.380 ( -7.152 0.000 0.000) 7.152 7.415 ( -35.811 0.000 0.000) 35.811 7.844 ( -9.798 0.000 0.000) 9.798 7.955 ( -10.223 0.000 0.000) 10.223 8.398 ( -17.074 0.000 0.000) 17.074 8.480 ( 24.016 0.000 0.000) 24.016 8.580 ( -2.713 0.000 0.000) 2.713 8.644 ( -6.231 0.000 0.000) 6.231 8.711 ( 16.874 0.000 0.000) 16.874 8.737 ( -2.928 0.000 0.000) 2.928 8.742 ( 12.974 0.000 0.000) 12.974 9.845 ( -5.145 0.000 0.000) 5.145 9.954 ( 6.625 0.000 0.000) 6.625 10.117 ( -0.205 0.000 0.000) 0.205 10.298 ( -5.567 0.000 0.000) 5.567 10.513 ( -5.045 0.000 0.000) 5.045 10.668 ( 12.823 0.000 0.000) 12.823 10.794 ( -11.936 0.000 0.000) 11.936 10.980 ( -2.913 0.000 0.000) 2.913 11.049 ( 0.599 0.000 0.000) 0.599 11.325 ( 0.041 0.000 0.000) 0.041 11.377 ( -13.575 0.000 0.000) 13.575 11.530 ( 14.813 0.000 0.000) 14.813 11.577 ( 8.064 0.000 0.000) 8.064 11.756 ( 0.787 0.000 0.000) 0.787 11.859 ( -9.349 0.000 0.000) 9.349 12.025 ( 3.028 0.000 0.000) 3.028 12.057 ( -8.023 0.000 0.000) 8.023 12.183 ( 2.905 0.000 0.000) 2.905 12.236 ( -4.770 0.000 0.000) 4.770 12.419 ( -3.239 0.000 0.000) 3.239 12.453 ( 1.639 0.000 0.000) 1.639 12.597 ( -7.885 0.000 0.000) 7.885 12.896 ( 5.772 0.000 0.000) 5.772 13.000 ( 1.949 0.000 0.000) 1.949 13.059 ( 1.579 0.000 0.000) 1.579 13.120 ( -2.748 0.000 0.000) 2.748 13.611 ( -7.083 0.000 0.000) 7.083 13.729 ( 10.904 0.000 0.000) 10.904 13.916 ( 2.893 0.000 0.000) 2.893 14.001 ( -13.566 0.000 0.000) 13.566 14.339 ( -8.979 0.000 0.000) 8.979 14.378 ( -6.914 0.000 0.000) 6.914 14.564 ( 8.131 0.000 0.000) 8.131 14.718 ( 9.047 0.000 0.000) 9.047 15.072 ( 0.513 0.000 0.000) 0.513 15.118 ( -8.538 0.000 0.000) 8.538 15.176 ( 5.959 0.000 0.000) 5.959 15.256 ( 4.744 0.000 0.000) 4.744 15.292 ( -3.889 0.000 0.000) 3.889 15.500 ( 0.624 0.000 0.000) 0.624 15.510 ( 1.023 0.000 0.000) 1.023 15.608 ( -0.168 0.000 0.000) 0.168 15.698 ( -2.197 0.000 0.000) 2.197 15.751 ( -3.533 0.000 0.000) 3.533 16.118 ( 4.231 0.000 0.000) 4.231 16.150 ( 5.503 0.000 0.000) 5.503 16.151 ( 3.973 0.000 0.000) 3.973 16.230 ( -0.187 0.000 0.000) 0.187 16.918 ( 5.262 0.000 0.000) 5.262 16.939 ( -3.161 0.000 0.000) 3.161 17.020 ( -3.573 0.000 0.000) 3.573 17.100 ( -1.816 0.000 0.000) 1.816 17.187 ( -4.651 0.000 0.000) 4.651 17.187 ( -4.704 0.000 0.000) 4.704 17.200 ( 7.812 0.000 0.000) 7.812 17.277 ( 2.199 0.000 0.000) 2.199 17.489 ( 3.230 0.000 0.000) 3.230 17.784 ( -1.305 0.000 0.000) 1.305 17.861 ( 6.800 0.000 0.000) 6.800 17.867 ( -3.409 0.000 0.000) 3.409 17.952 ( -5.801 0.000 0.000) 5.801 18.028 ( 7.523 0.000 0.000) 7.523 18.112 ( -1.479 0.000 0.000) 1.479 18.259 ( -0.042 0.000 0.000) 0.042 22.248 ( 0.108 0.000 0.000) 0.108 22.288 ( -0.449 0.000 0.000) 0.449 22.302 ( 7.477 0.000 0.000) 7.477 22.377 ( 2.222 0.000 0.000) 2.222 22.518 ( 0.419 0.000 0.000) 0.419 22.550 ( -2.595 0.000 0.000) 2.595 22.590 ( 1.835 0.000 0.000) 1.835 22.606 ( 2.361 0.000 0.000) 2.361 24.065 ( 3.710 0.000 0.000) 3.710 24.329 ( 0.401 0.000 0.000) 0.401 24.395 ( -1.496 0.000 0.000) 1.496 24.486 ( -9.833 0.000 0.000) 9.833 24.591 ( 2.997 0.000 0.000) 2.997 24.787 ( 0.406 0.000 0.000) 0.406 24.813 ( -0.648 0.000 0.000) 0.648 24.827 ( -3.931 0.000 0.000) 3.931 25.980 ( 12.568 0.000 0.000) 12.568 26.181 ( 1.622 0.000 0.000) 1.622 26.205 ( 13.890 0.000 0.000) 13.890 26.286 ( -2.277 0.000 0.000) 2.277 26.631 ( -3.566 0.000 0.000) 3.566 26.718 ( 3.647 0.000 0.000) 3.647 26.906 ( -11.054 0.000 0.000) 11.054 27.045 ( -1.334 0.000 0.000) 1.334 27.214 ( 8.339 0.000 0.000) 8.339 27.440 ( -2.632 0.000 0.000) 2.632 27.481 ( 1.737 0.000 0.000) 1.737 27.540 ( -0.946 0.000 0.000) 0.946 27.632 ( 5.456 0.000 0.000) 5.456 27.731 ( -0.918 0.000 0.000) 0.918 27.789 ( -4.458 0.000 0.000) 4.458 27.902 ( 3.321 0.000 0.000) 3.321 27.914 ( 2.621 0.000 0.000) 2.621 28.043 ( 6.369 0.000 0.000) 6.369 28.227 ( -10.456 0.000 0.000) 10.456 28.284 ( 0.489 0.000 0.000) 0.489 28.397 ( -0.072 0.000 0.000) 0.072 28.415 ( -6.470 0.000 0.000) 6.470 28.799 ( 5.068 0.000 0.000) 5.068 28.916 ( 9.033 0.000 0.000) 9.033 29.030 ( 1.359 0.000 0.000) 1.359 29.161 ( 3.013 0.000 0.000) 3.013 29.181 ( 7.954 0.000 0.000) 7.954 29.218 ( -8.762 0.000 0.000) 8.762 29.369 ( -1.985 0.000 0.000) 1.985 29.531 ( -3.517 0.000 0.000) 3.517 29.586 ( 6.819 0.000 0.000) 6.819 29.669 ( -0.028 0.000 0.000) 0.028 29.929 ( -8.780 0.000 0.000) 8.780 29.937 ( -3.547 0.000 0.000) 3.547 30.107 ( -4.041 0.000 0.000) 4.041 30.167 ( -14.138 0.000 0.000) 14.138 30.891 ( -2.860 0.000 0.000) 2.860 30.949 ( -3.105 0.000 0.000) 3.105 31.031 ( 8.829 0.000 0.000) 8.829 31.501 ( 1.314 0.000 0.000) 1.314 32.862 ( 4.447 0.000 0.000) 4.447 33.119 ( 4.497 0.000 0.000) 4.497 33.249 ( -1.176 0.000 0.000) 1.176 33.355 ( -10.136 0.000 0.000) 10.136 33.465 ( -5.698 0.000 0.000) 5.698 33.475 ( 15.131 0.000 0.000) 15.131 33.585 ( -9.459 0.000 0.000) 9.459 34.192 ( -7.247 0.000 0.000) 7.247 36.309 ( 8.316 0.000 0.000) 8.316 36.555 ( 8.375 0.000 0.000) 8.375 36.953 ( -12.439 0.000 0.000) 12.439 37.026 ( -4.301 0.000 0.000) 4.301 37.434 ( 10.386 0.000 0.000) 10.386 37.721 ( -1.014 0.000 0.000) 1.014 37.747 ( 3.585 0.000 0.000) 3.585 37.852 ( -2.436 0.000 0.000) 2.436 38.274 ( 6.048 0.000 0.000) 6.048 38.514 ( 0.115 0.000 0.000) 0.115 38.519 ( -2.379 0.000 0.000) 2.379 38.547 ( -1.231 0.000 0.000) 1.231 38.773 ( 2.976 0.000 0.000) 2.976 38.845 ( 1.680 0.000 0.000) 1.680 39.066 ( 8.831 0.000 0.000) 8.831 39.619 ( 4.485 0.000 0.000) 4.485 39.661 ( -7.860 0.000 0.000) 7.860 39.856 ( -1.465 0.000 0.000) 1.465 39.868 ( 1.393 0.000 0.000) 1.393 40.073 ( -5.467 0.000 0.000) 5.467 40.586 ( 1.699 0.000 0.000) 1.699 40.609 ( 1.176 0.000 0.000) 1.176 40.665 ( 1.695 0.000 0.000) 1.695 40.922 ( -5.180 0.000 0.000) 5.180 41.819 ( -0.442 0.000 0.000) 0.442 41.993 ( -3.229 0.000 0.000) 3.229 42.160 ( 1.412 0.000 0.000) 1.412 42.164 ( -1.654 0.000 0.000) 1.654 42.187 ( -2.920 0.000 0.000) 2.920 42.201 ( -2.405 0.000 0.000) 2.405 42.662 ( 1.095 0.000 0.000) 1.095 42.675 ( 1.105 0.000 0.000) 1.105 83.281 ( 0.065 0.000 0.000) 0.065 83.352 ( -2.445 0.000 0.000) 2.445 83.476 ( 1.219 0.000 0.000) 1.219 83.642 ( -4.234 0.000 0.000) 4.234 83.918 ( 4.678 0.000 0.000) 4.678 84.072 ( -0.299 0.000 0.000) 0.299 84.175 ( 6.938 0.000 0.000) 6.938 84.454 ( -0.469 0.000 0.000) 0.469 87.793 ( 18.420 0.000 0.000) 18.420 87.926 ( 3.318 0.000 0.000) 3.318 88.303 ( -9.647 0.000 0.000) 9.647 88.687 ( -7.704 0.000 0.000) 7.704 89.073 ( 2.881 0.000 0.000) 2.881 89.106 ( 6.520 0.000 0.000) 6.520 89.279 ( -2.246 0.000 0.000) 2.246 89.336 ( -5.449 0.000 0.000) 5.449 92.845 ( 5.867 0.000 0.000) 5.867 92.929 ( 4.534 0.000 0.000) 4.534 93.182 ( -2.943 0.000 0.000) 2.943 93.211 ( -4.952 0.000 0.000) 4.952 93.866 ( 6.537 0.000 0.000) 6.537 94.372 ( -11.201 0.000 0.000) 11.201 95.725 ( 2.769 0.000 0.000) 2.769 96.181 ( -12.640 0.000 0.000) 12.640 96.842 ( 3.437 0.000 0.000) 3.437 97.058 ( -3.138 0.000 0.000) 3.138 97.092 ( 8.142 0.000 0.000) 8.142 97.366 ( -1.900 0.000 0.000) 1.900 97.920 ( 7.932 0.000 0.000) 7.932 97.925 ( 5.925 0.000 0.000) 5.925 98.342 ( -5.634 0.000 0.000) 5.634 98.389 ( -8.048 0.000 0.000) 8.048 ======================= Grid point 3 (4/48) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 34.292 0.000 0.000) 34.292 2.503 ( 28.652 0.000 0.000) 28.652 2.545 ( -31.465 0.000 0.000) 31.465 2.735 ( 4.780 0.000 0.000) 4.780 3.386 ( -2.331 0.000 0.000) 2.331 3.495 ( -8.806 0.000 0.000) 8.806 3.612 ( 4.834 0.000 0.000) 4.834 3.705 ( -4.925 0.000 0.000) 4.925 3.783 ( 22.873 0.000 0.000) 22.873 3.908 ( -3.283 0.000 0.000) 3.283 4.005 ( -12.528 0.000 0.000) 12.528 4.094 ( -9.120 0.000 0.000) 9.120 4.457 ( 20.977 0.000 0.000) 20.977 4.526 ( 5.785 0.000 0.000) 5.785 4.685 ( -11.263 0.000 0.000) 11.263 4.709 ( -2.755 0.000 0.000) 2.755 5.066 ( 11.902 0.000 0.000) 11.902 5.108 ( 13.330 0.000 0.000) 13.330 5.128 ( 11.039 0.000 0.000) 11.039 5.162 ( 5.353 0.000 0.000) 5.353 5.228 ( -1.284 0.000 0.000) 1.284 5.299 ( -7.079 0.000 0.000) 7.079 5.423 ( 31.857 0.000 0.000) 31.857 5.769 ( 5.995 0.000 0.000) 5.995 5.850 ( 4.431 0.000 0.000) 4.431 5.885 ( -8.423 0.000 0.000) 8.423 5.939 ( -11.857 0.000 0.000) 11.857 5.981 ( -5.295 0.000 0.000) 5.295 6.052 ( 2.334 0.000 0.000) 2.334 6.230 ( -19.260 0.000 0.000) 19.260 6.261 ( 10.126 0.000 0.000) 10.126 6.460 ( -10.201 0.000 0.000) 10.201 6.474 ( -19.083 0.000 0.000) 19.083 6.722 ( -33.617 0.000 0.000) 33.617 6.850 ( 8.060 0.000 0.000) 8.060 6.981 ( -5.191 0.000 0.000) 5.191 7.090 ( 6.222 0.000 0.000) 6.222 7.236 ( -8.273 0.000 0.000) 8.273 7.425 ( 18.874 0.000 0.000) 18.874 7.722 ( -13.698 0.000 0.000) 13.698 7.839 ( 7.990 0.000 0.000) 7.990 8.079 ( -16.005 0.000 0.000) 16.005 8.547 ( 2.983 0.000 0.000) 2.983 8.597 ( 0.993 0.000 0.000) 0.993 8.653 ( -3.637 0.000 0.000) 3.637 8.658 ( -4.654 0.000 0.000) 4.654 9.015 ( 10.836 0.000 0.000) 10.836 9.024 ( 11.207 0.000 0.000) 11.207 9.852 ( 7.069 0.000 0.000) 7.069 10.035 ( -8.931 0.000 0.000) 8.931 10.144 ( 13.597 0.000 0.000) 13.597 10.239 ( 0.683 0.000 0.000) 0.683 10.347 ( -9.691 0.000 0.000) 9.691 10.449 ( -18.060 0.000 0.000) 18.060 10.921 ( 9.038 0.000 0.000) 9.038 10.997 ( 4.109 0.000 0.000) 4.109 11.030 ( -2.968 0.000 0.000) 2.968 11.139 ( -10.826 0.000 0.000) 10.826 11.410 ( 9.247 0.000 0.000) 9.247 11.634 ( -13.211 0.000 0.000) 13.211 11.731 ( 7.392 0.000 0.000) 7.392 11.776 ( 9.050 0.000 0.000) 9.050 11.831 ( 4.521 0.000 0.000) 4.521 11.894 ( -8.336 0.000 0.000) 8.336 12.084 ( 3.305 0.000 0.000) 3.305 12.153 ( -4.043 0.000 0.000) 4.043 12.235 ( 3.241 0.000 0.000) 3.241 12.333 ( -6.281 0.000 0.000) 6.281 12.450 ( -0.849 0.000 0.000) 0.849 12.472 ( -4.038 0.000 0.000) 4.038 12.994 ( 4.463 0.000 0.000) 4.463 13.040 ( 2.163 0.000 0.000) 2.163 13.065 ( -3.226 0.000 0.000) 3.226 13.071 ( -0.661 0.000 0.000) 0.661 13.579 ( 4.229 0.000 0.000) 4.229 13.746 ( -12.370 0.000 0.000) 12.370 13.956 ( 12.781 0.000 0.000) 12.781 14.029 ( 7.800 0.000 0.000) 7.800 14.181 ( -8.150 0.000 0.000) 8.150 14.191 ( -11.814 0.000 0.000) 11.814 14.747 ( 10.356 0.000 0.000) 10.356 14.876 ( 7.672 0.000 0.000) 7.672 14.941 ( -10.072 0.000 0.000) 10.072 15.009 ( -6.186 0.000 0.000) 6.186 15.234 ( 1.410 0.000 0.000) 1.410 15.253 ( -0.881 0.000 0.000) 0.881 15.366 ( 6.336 0.000 0.000) 6.336 15.468 ( -3.943 0.000 0.000) 3.943 15.567 ( 4.177 0.000 0.000) 4.177 15.628 ( 2.123 0.000 0.000) 2.123 15.643 ( -3.615 0.000 0.000) 3.615 15.683 ( -3.540 0.000 0.000) 3.540 16.186 ( 2.743 0.000 0.000) 2.743 16.215 ( 2.321 0.000 0.000) 2.321 16.220 ( -1.033 0.000 0.000) 1.033 16.222 ( 1.790 0.000 0.000) 1.790 16.914 ( 0.543 0.000 0.000) 0.543 16.953 ( -3.226 0.000 0.000) 3.226 17.000 ( 3.708 0.000 0.000) 3.708 17.059 ( -2.634 0.000 0.000) 2.634 17.122 ( -1.839 0.000 0.000) 1.839 17.123 ( -1.889 0.000 0.000) 1.889 17.297 ( 2.165 0.000 0.000) 2.165 17.306 ( 0.717 0.000 0.000) 0.717 17.617 ( 9.552 0.000 0.000) 9.552 17.760 ( -2.193 0.000 0.000) 2.193 17.809 ( -2.329 0.000 0.000) 2.329 17.823 ( -6.547 0.000 0.000) 6.547 17.977 ( 5.491 0.000 0.000) 5.491 18.064 ( -3.623 0.000 0.000) 3.623 18.156 ( 5.776 0.000 0.000) 5.776 18.236 ( -2.659 0.000 0.000) 2.659 22.257 ( 0.764 0.000 0.000) 0.764 22.274 ( -0.932 0.000 0.000) 0.932 22.428 ( 5.544 0.000 0.000) 5.544 22.429 ( 3.218 0.000 0.000) 3.218 22.493 ( -3.354 0.000 0.000) 3.354 22.502 ( -2.322 0.000 0.000) 2.322 22.624 ( 1.458 0.000 0.000) 1.458 22.635 ( 0.458 0.000 0.000) 0.458 24.162 ( 6.616 0.000 0.000) 6.616 24.309 ( -8.832 0.000 0.000) 8.832 24.342 ( 1.011 0.000 0.000) 1.011 24.366 ( -1.498 0.000 0.000) 1.498 24.659 ( 4.180 0.000 0.000) 4.180 24.744 ( -4.694 0.000 0.000) 4.694 24.794 ( 0.337 0.000 0.000) 0.337 24.802 ( -0.529 0.000 0.000) 0.529 26.214 ( 1.723 0.000 0.000) 1.723 26.235 ( 13.953 0.000 0.000) 13.953 26.247 ( -1.866 0.000 0.000) 1.866 26.471 ( 13.840 0.000 0.000) 13.840 26.483 ( -11.626 0.000 0.000) 11.626 26.705 ( -10.969 0.000 0.000) 10.969 26.827 ( 7.413 0.000 0.000) 7.413 26.967 ( -6.557 0.000 0.000) 6.557 27.334 ( 4.528 0.000 0.000) 4.528 27.395 ( -2.409 0.000 0.000) 2.409 27.501 ( 0.973 0.000 0.000) 0.973 27.521 ( -1.082 0.000 0.000) 1.082 27.718 ( -0.288 0.000 0.000) 0.288 27.729 ( -1.792 0.000 0.000) 1.792 27.763 ( 8.123 0.000 0.000) 8.123 27.906 ( -4.991 0.000 0.000) 4.991 27.976 ( 4.016 0.000 0.000) 4.016 28.057 ( -6.104 0.000 0.000) 6.104 28.175 ( 7.224 0.000 0.000) 7.224 28.300 ( -6.082 0.000 0.000) 6.082 28.314 ( 2.619 0.000 0.000) 2.619 28.369 ( -2.747 0.000 0.000) 2.747 28.903 ( 6.592 0.000 0.000) 6.592 29.049 ( -8.403 0.000 0.000) 8.403 29.078 ( 3.858 0.000 0.000) 3.858 29.091 ( 8.704 0.000 0.000) 8.704 29.169 ( -5.272 0.000 0.000) 5.272 29.209 ( -1.416 0.000 0.000) 1.416 29.497 ( 2.719 0.000 0.000) 2.719 29.498 ( 11.952 0.000 0.000) 11.952 29.616 ( -6.382 0.000 0.000) 6.382 29.701 ( -0.397 0.000 0.000) 0.397 29.749 ( -4.399 0.000 0.000) 4.399 29.846 ( -5.925 0.000 0.000) 5.925 29.987 ( -3.417 0.000 0.000) 3.417 30.016 ( -4.619 0.000 0.000) 4.619 30.867 ( 0.272 0.000 0.000) 0.272 30.894 ( -2.419 0.000 0.000) 2.419 31.235 ( 11.902 0.000 0.000) 11.902 31.434 ( -8.030 0.000 0.000) 8.030 32.984 ( 8.269 0.000 0.000) 8.269 33.160 ( -10.192 0.000 0.000) 10.192 33.234 ( 7.683 0.000 0.000) 7.683 33.264 ( 2.929 0.000 0.000) 2.929 33.351 ( -5.904 0.000 0.000) 5.904 33.400 ( -9.718 0.000 0.000) 9.718 33.762 ( 14.804 0.000 0.000) 14.804 34.013 ( -11.658 0.000 0.000) 11.658 36.495 ( 11.160 0.000 0.000) 11.160 36.718 ( -12.407 0.000 0.000) 12.407 36.729 ( 9.775 0.000 0.000) 9.775 36.905 ( -8.382 0.000 0.000) 8.382 37.621 ( 8.873 0.000 0.000) 8.873 37.734 ( 2.353 0.000 0.000) 2.353 37.744 ( -3.711 0.000 0.000) 3.711 37.794 ( -3.510 0.000 0.000) 3.510 38.381 ( 5.139 0.000 0.000) 5.139 38.463 ( -3.603 0.000 0.000) 3.603 38.520 ( 0.401 0.000 0.000) 0.401 38.529 ( -0.660 0.000 0.000) 0.660 38.827 ( 2.464 0.000 0.000) 2.464 38.856 ( -0.521 0.000 0.000) 0.521 39.265 ( 11.764 0.000 0.000) 11.764 39.483 ( -10.889 0.000 0.000) 10.889 39.713 ( 5.266 0.000 0.000) 5.266 39.804 ( -4.038 0.000 0.000) 4.038 39.906 ( 2.807 0.000 0.000) 2.807 39.976 ( -4.577 0.000 0.000) 4.577 40.613 ( 1.050 0.000 0.000) 1.050 40.622 ( 0.118 0.000 0.000) 0.118 40.720 ( 4.209 0.000 0.000) 4.209 40.816 ( -5.730 0.000 0.000) 5.730 41.840 ( 2.668 0.000 0.000) 2.668 41.913 ( -4.682 0.000 0.000) 4.682 42.140 ( -0.628 0.000 0.000) 0.628 42.146 ( -1.286 0.000 0.000) 1.286 42.175 ( 0.265 0.000 0.000) 0.265 42.178 ( -0.299 0.000 0.000) 0.299 42.680 ( 0.741 0.000 0.000) 0.741 42.687 ( 0.106 0.000 0.000) 0.106 83.288 ( 0.759 0.000 0.000) 0.759 83.311 ( -1.777 0.000 0.000) 1.777 83.508 ( 2.357 0.000 0.000) 2.357 83.566 ( -3.688 0.000 0.000) 3.688 84.001 ( 3.799 0.000 0.000) 3.799 84.054 ( -1.833 0.000 0.000) 1.833 84.309 ( 6.821 0.000 0.000) 6.821 84.414 ( -3.955 0.000 0.000) 3.955 88.010 ( 5.621 0.000 0.000) 5.621 88.137 ( -7.882 0.000 0.000) 7.882 88.154 ( 18.952 0.000 0.000) 18.952 88.475 ( -14.620 0.000 0.000) 14.620 89.145 ( 4.364 0.000 0.000) 4.364 89.194 ( 3.311 0.000 0.000) 3.311 89.223 ( -3.707 0.000 0.000) 3.707 89.252 ( -3.443 0.000 0.000) 3.443 92.969 ( 7.077 0.000 0.000) 7.077 93.022 ( 5.092 0.000 0.000) 5.092 93.100 ( -6.660 0.000 0.000) 6.660 93.112 ( -4.375 0.000 0.000) 4.375 94.002 ( 7.999 0.000 0.000) 7.999 94.170 ( -9.940 0.000 0.000) 9.940 95.808 ( 6.318 0.000 0.000) 6.318 95.964 ( -10.143 0.000 0.000) 10.143 96.915 ( 4.104 0.000 0.000) 4.104 96.991 ( -3.922 0.000 0.000) 3.922 97.224 ( 5.890 0.000 0.000) 5.890 97.314 ( -3.693 0.000 0.000) 3.693 98.059 ( 8.185 0.000 0.000) 8.185 98.073 ( 8.121 0.000 0.000) 8.121 98.219 ( -7.278 0.000 0.000) 7.278 98.224 ( -9.129 0.000 0.000) 9.129 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.000 37.930 0.000) 37.930 0.884 ( 0.000 43.843 0.000) 43.843 1.136 ( 0.000 55.561 0.000) 55.561 2.656 ( 0.000 15.035 0.000) 15.035 3.228 ( 0.000 -15.661 0.000) 15.661 3.343 ( 0.000 -3.662 0.000) 3.662 3.613 ( 0.000 8.630 0.000) 8.630 3.677 ( 0.000 4.281 0.000) 4.281 3.782 ( 0.000 -9.286 0.000) 9.286 3.907 ( 0.000 7.271 0.000) 7.271 4.119 ( 0.000 -2.772 0.000) 2.772 4.249 ( 0.000 0.020 0.000) 0.020 4.298 ( 0.000 -1.861 0.000) 1.861 4.455 ( 0.000 -3.470 0.000) 3.470 4.555 ( 0.000 -3.068 0.000) 3.068 4.755 ( 0.000 -7.083 0.000) 7.083 4.769 ( 0.000 6.422 0.000) 6.422 4.850 ( 0.000 -16.321 0.000) 16.321 5.037 ( 0.000 3.813 0.000) 3.813 5.067 ( 0.000 2.903 0.000) 2.903 5.143 ( 0.000 -4.298 0.000) 4.298 5.197 ( 0.000 -0.003 0.000) 0.003 5.267 ( 0.000 -7.018 0.000) 7.018 5.375 ( 0.000 3.595 0.000) 3.595 5.522 ( 0.000 -8.656 0.000) 8.656 5.765 ( 0.000 14.663 0.000) 14.663 6.038 ( 0.000 -5.800 0.000) 5.800 6.086 ( 0.000 14.907 0.000) 14.907 6.136 ( 0.000 -6.776 0.000) 6.776 6.461 ( 0.000 3.326 0.000) 3.326 6.544 ( 0.000 -14.719 0.000) 14.719 6.686 ( 0.000 -0.034 0.000) 0.034 6.805 ( 0.000 6.464 0.000) 6.464 6.851 ( 0.000 0.957 0.000) 0.957 7.269 ( 0.000 10.535 0.000) 10.535 7.370 ( 0.000 -6.341 0.000) 6.341 7.391 ( 0.000 -9.021 0.000) 9.021 7.614 ( 0.000 4.045 0.000) 4.045 7.683 ( 0.000 -3.280 0.000) 3.280 7.920 ( 0.000 -2.706 0.000) 2.706 8.237 ( 0.000 4.044 0.000) 4.044 8.329 ( 0.000 1.412 0.000) 1.412 8.468 ( 0.000 -0.561 0.000) 0.561 8.493 ( 0.000 -7.202 0.000) 7.202 8.629 ( 0.000 0.053 0.000) 0.053 8.768 ( 0.000 2.070 0.000) 2.070 8.837 ( 0.000 0.057 0.000) 0.057 8.871 ( 0.000 -0.229 0.000) 0.229 9.899 ( 0.000 5.963 0.000) 5.963 9.986 ( 0.000 0.372 0.000) 0.372 10.087 ( 0.000 2.098 0.000) 2.098 10.214 ( 0.000 2.001 0.000) 2.001 10.457 ( 0.000 -2.803 0.000) 2.803 10.561 ( 0.000 -3.280 0.000) 3.280 10.817 ( 0.000 -5.637 0.000) 5.637 10.972 ( 0.000 -5.420 0.000) 5.420 11.101 ( 0.000 7.463 0.000) 7.463 11.203 ( 0.000 1.965 0.000) 1.965 11.340 ( 0.000 -2.283 0.000) 2.283 11.571 ( 0.000 -1.566 0.000) 1.566 11.614 ( 0.000 3.928 0.000) 3.928 11.806 ( 0.000 -5.199 0.000) 5.199 11.862 ( 0.000 2.182 0.000) 2.182 11.871 ( 0.000 -0.297 0.000) 0.297 11.974 ( 0.000 -4.972 0.000) 4.972 12.119 ( 0.000 9.433 0.000) 9.433 12.239 ( 0.000 -8.095 0.000) 8.095 12.398 ( 0.000 -2.237 0.000) 2.237 12.552 ( 0.000 -7.603 0.000) 7.603 12.729 ( 0.000 0.932 0.000) 0.932 12.815 ( 0.000 -9.605 0.000) 9.605 12.962 ( 0.000 10.345 0.000) 10.345 12.990 ( 0.000 -2.920 0.000) 2.920 13.324 ( 0.000 9.422 0.000) 9.422 13.439 ( 0.000 -2.422 0.000) 2.422 13.906 ( 0.000 4.503 0.000) 4.503 14.129 ( 0.000 1.204 0.000) 1.204 14.205 ( 0.000 -7.769 0.000) 7.769 14.347 ( 0.000 4.400 0.000) 4.400 14.486 ( 0.000 -4.745 0.000) 4.745 14.647 ( 0.000 -4.179 0.000) 4.179 14.688 ( 0.000 -3.871 0.000) 3.871 14.727 ( 0.000 4.580 0.000) 4.580 14.953 ( 0.000 3.411 0.000) 3.411 15.152 ( 0.000 -3.064 0.000) 3.064 15.318 ( 0.000 0.354 0.000) 0.354 15.397 ( 0.000 -1.226 0.000) 1.226 15.479 ( 0.000 5.314 0.000) 5.314 15.607 ( 0.000 3.621 0.000) 3.621 15.682 ( 0.000 1.866 0.000) 1.866 15.701 ( 0.000 -2.538 0.000) 2.538 15.847 ( 0.000 0.184 0.000) 0.184 15.968 ( 0.000 -0.118 0.000) 0.118 15.985 ( 0.000 -2.429 0.000) 2.429 16.012 ( 0.000 -1.799 0.000) 1.799 16.216 ( 0.000 -1.801 0.000) 1.801 16.744 ( 0.000 2.756 0.000) 2.756 17.059 ( 0.000 -1.614 0.000) 1.614 17.072 ( 0.000 -1.672 0.000) 1.672 17.082 ( 0.000 2.481 0.000) 2.481 17.130 ( 0.000 -1.016 0.000) 1.016 17.267 ( 0.000 4.017 0.000) 4.017 17.274 ( 0.000 -0.972 0.000) 0.972 17.325 ( 0.000 0.981 0.000) 0.981 17.483 ( 0.000 1.275 0.000) 1.275 17.644 ( 0.000 -1.366 0.000) 1.366 17.811 ( 0.000 -0.110 0.000) 0.110 17.853 ( 0.000 3.010 0.000) 3.010 18.010 ( 0.000 -3.688 0.000) 3.688 18.036 ( 0.000 0.089 0.000) 0.089 18.159 ( 0.000 2.949 0.000) 2.949 18.260 ( 0.000 1.193 0.000) 1.193 22.122 ( 0.000 0.922 0.000) 0.922 22.259 ( 0.000 1.477 0.000) 1.477 22.272 ( 0.000 -1.391 0.000) 1.391 22.357 ( 0.000 1.489 0.000) 1.489 22.507 ( 0.000 1.565 0.000) 1.565 22.517 ( 0.000 -3.509 0.000) 3.509 22.526 ( 0.000 -1.066 0.000) 1.066 22.622 ( 0.000 0.919 0.000) 0.919 24.045 ( 0.000 3.691 0.000) 3.691 24.345 ( 0.000 1.963 0.000) 1.963 24.400 ( 0.000 0.030 0.000) 0.030 24.421 ( 0.000 -0.538 0.000) 0.538 24.502 ( 0.000 -3.149 0.000) 3.149 24.765 ( 0.000 -5.764 0.000) 5.764 24.832 ( 0.000 1.048 0.000) 1.048 24.853 ( 0.000 0.432 0.000) 0.432 25.719 ( 0.000 -0.135 0.000) 0.135 25.868 ( 0.000 -0.617 0.000) 0.617 26.180 ( 0.000 2.047 0.000) 2.047 26.407 ( 0.000 5.812 0.000) 5.812 26.479 ( 0.000 -6.516 0.000) 6.516 26.736 ( 0.000 8.802 0.000) 8.802 26.928 ( 0.000 2.114 0.000) 2.114 26.998 ( 0.000 -0.481 0.000) 0.481 27.271 ( 0.000 -4.799 0.000) 4.799 27.291 ( 0.000 2.341 0.000) 2.341 27.491 ( 0.000 -1.667 0.000) 1.667 27.513 ( 0.000 -0.571 0.000) 0.571 27.526 ( 0.000 -5.520 0.000) 5.520 27.773 ( 0.000 0.803 0.000) 0.803 27.874 ( 0.000 -0.288 0.000) 0.288 27.877 ( 0.000 4.529 0.000) 4.529 27.891 ( 0.000 -0.494 0.000) 0.494 27.952 ( 0.000 2.031 0.000) 2.031 28.371 ( 0.000 5.968 0.000) 5.968 28.373 ( 0.000 5.300 0.000) 5.300 28.407 ( 0.000 0.742 0.000) 0.742 28.605 ( 0.000 -6.141 0.000) 6.141 28.674 ( 0.000 2.308 0.000) 2.308 28.790 ( 0.000 -3.672 0.000) 3.672 28.948 ( 0.000 -3.687 0.000) 3.687 28.976 ( 0.000 -13.718 0.000) 13.718 29.027 ( 0.000 0.236 0.000) 0.236 29.381 ( 0.000 -7.032 0.000) 7.032 29.466 ( 0.000 3.409 0.000) 3.409 29.603 ( 0.000 2.955 0.000) 2.955 29.622 ( 0.000 12.122 0.000) 12.122 29.675 ( 0.000 8.115 0.000) 8.115 30.158 ( 0.000 1.185 0.000) 1.185 30.178 ( 0.000 6.941 0.000) 6.941 30.618 ( 0.000 1.164 0.000) 1.164 30.718 ( 0.000 -0.235 0.000) 0.235 30.843 ( 0.000 4.222 0.000) 4.222 30.844 ( 0.000 -5.294 0.000) 5.294 30.995 ( 0.000 -2.633 0.000) 2.633 31.622 ( 0.000 -6.677 0.000) 6.677 32.763 ( 0.000 -2.683 0.000) 2.683 33.032 ( 0.000 -5.165 0.000) 5.165 33.054 ( 0.000 6.202 0.000) 6.202 33.521 ( 0.000 -3.050 0.000) 3.050 33.582 ( 0.000 -0.070 0.000) 0.070 33.595 ( 0.000 1.269 0.000) 1.269 33.827 ( 0.000 2.127 0.000) 2.127 34.241 ( 0.000 -6.853 0.000) 6.853 36.229 ( 0.000 6.777 0.000) 6.777 36.389 ( 0.000 1.534 0.000) 1.534 36.876 ( 0.000 -2.529 0.000) 2.529 37.087 ( 0.000 0.897 0.000) 0.897 37.174 ( 0.000 -1.273 0.000) 1.273 37.250 ( 0.000 -9.432 0.000) 9.432 37.550 ( 0.000 7.232 0.000) 7.232 37.950 ( 0.000 4.617 0.000) 4.617 38.060 ( 0.000 -4.561 0.000) 4.561 38.515 ( 0.000 -6.061 0.000) 6.061 38.515 ( 0.000 0.615 0.000) 0.615 38.739 ( 0.000 -3.272 0.000) 3.272 38.794 ( 0.000 7.117 0.000) 7.117 38.946 ( 0.000 2.839 0.000) 2.839 39.482 ( 0.000 3.170 0.000) 3.170 39.543 ( 0.000 1.383 0.000) 1.383 39.701 ( 0.000 -0.732 0.000) 0.732 39.820 ( 0.000 -2.527 0.000) 2.527 39.820 ( 0.000 -0.810 0.000) 0.810 39.844 ( 0.000 -1.224 0.000) 1.224 40.243 ( 0.000 3.272 0.000) 3.272 40.554 ( 0.000 1.370 0.000) 1.370 40.622 ( 0.000 -2.695 0.000) 2.695 40.983 ( 0.000 -4.386 0.000) 4.386 41.879 ( 0.000 0.552 0.000) 0.552 42.030 ( 0.000 0.080 0.000) 0.080 42.062 ( 0.000 -3.077 0.000) 3.077 42.221 ( 0.000 5.077 0.000) 5.077 42.323 ( 0.000 4.161 0.000) 4.161 42.330 ( 0.000 -4.200 0.000) 4.200 42.620 ( 0.000 -1.358 0.000) 1.358 42.621 ( 0.000 -1.528 0.000) 1.528 83.291 ( 0.000 0.741 0.000) 0.741 83.414 ( 0.000 -1.194 0.000) 1.194 83.427 ( 0.000 0.375 0.000) 0.375 83.446 ( 0.000 0.010 0.000) 0.010 83.839 ( 0.000 3.213 0.000) 3.213 84.052 ( 0.000 2.622 0.000) 2.622 84.382 ( 0.000 -5.037 0.000) 5.037 84.424 ( 0.000 -3.166 0.000) 3.166 87.422 ( 0.000 3.334 0.000) 3.334 87.835 ( 0.000 -3.223 0.000) 3.223 87.920 ( 0.000 5.140 0.000) 5.140 88.693 ( 0.000 2.968 0.000) 2.968 88.712 ( 0.000 -6.387 0.000) 6.387 88.993 ( 0.000 -1.809 0.000) 1.809 89.068 ( 0.000 1.876 0.000) 1.876 89.434 ( 0.000 -4.913 0.000) 4.913 92.732 ( 0.000 0.675 0.000) 0.675 92.826 ( 0.000 -0.794 0.000) 0.794 93.231 ( 0.000 -0.470 0.000) 0.470 93.272 ( 0.000 -2.565 0.000) 2.565 93.527 ( 0.000 5.737 0.000) 5.737 93.851 ( 0.000 12.038 0.000) 12.038 94.590 ( 0.000 -12.033 0.000) 12.033 95.500 ( 0.000 -17.352 0.000) 17.352 96.865 ( 0.000 8.819 0.000) 8.819 96.871 ( 0.000 8.891 0.000) 8.891 97.526 ( 0.000 11.674 0.000) 11.674 97.684 ( 0.000 -4.945 0.000) 4.945 97.755 ( 0.000 -5.539 0.000) 5.539 98.411 ( 0.000 -4.413 0.000) 4.413 98.480 ( 0.000 0.377 0.000) 0.377 98.519 ( 0.000 -0.310 0.000) 0.310 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 36.958 22.889 0.000) 43.472 1.254 ( 18.692 44.537 0.000) 48.301 1.611 ( 51.895 26.842 0.000) 58.426 2.742 ( 10.005 14.513 0.000) 17.628 3.263 ( 0.985 -8.197 0.000) 8.256 3.458 ( -4.876 0.130 0.000) 4.877 3.548 ( 19.662 -4.303 0.000) 20.127 3.819 ( -5.120 8.681 0.000) 10.078 3.836 ( 0.917 -11.256 0.000) 11.293 3.964 ( 11.831 4.950 0.000) 12.825 4.053 ( -3.366 1.854 0.000) 3.843 4.259 ( 3.455 2.079 0.000) 4.032 4.347 ( 3.387 -5.072 0.000) 6.099 4.448 ( 0.436 -0.221 0.000) 0.489 4.475 ( -9.787 -2.491 0.000) 10.099 4.596 ( -7.440 3.631 0.000) 8.279 4.792 ( -6.826 3.588 0.000) 7.712 4.840 ( 2.819 -2.895 0.000) 4.041 4.872 ( 0.890 -13.398 0.000) 13.428 5.121 ( -1.581 -4.035 0.000) 4.334 5.157 ( 5.481 1.729 0.000) 5.747 5.291 ( -1.408 -1.220 0.000) 1.863 5.425 ( 5.653 -3.126 0.000) 6.460 5.454 ( -12.515 -0.152 0.000) 12.516 5.559 ( 21.356 4.644 0.000) 21.855 5.681 ( -1.230 -7.701 0.000) 7.799 6.002 ( -3.528 -6.293 0.000) 7.215 6.087 ( -0.495 12.613 0.000) 12.623 6.100 ( -2.223 -6.782 0.000) 7.137 6.430 ( -6.635 -0.267 0.000) 6.640 6.623 ( 7.471 -9.573 0.000) 12.143 6.709 ( -2.212 4.541 0.000) 5.051 6.830 ( 1.665 1.988 0.000) 2.593 6.891 ( -18.003 0.360 0.000) 18.007 6.910 ( 5.978 0.995 0.000) 6.060 7.215 ( -5.623 9.195 0.000) 10.778 7.486 ( -1.310 -0.991 0.000) 1.643 7.576 ( -13.100 -1.260 0.000) 13.160 7.812 ( 8.717 -4.443 0.000) 9.784 7.985 ( 1.820 -3.507 0.000) 3.951 8.069 ( -11.427 3.289 0.000) 11.891 8.188 ( -22.136 0.242 0.000) 22.137 8.393 ( 2.969 -4.939 0.000) 5.763 8.401 ( 5.645 -1.752 0.000) 5.910 8.657 ( 5.591 0.707 0.000) 5.635 8.772 ( -5.413 0.534 0.000) 5.439 8.822 ( -5.824 1.595 0.000) 6.038 8.856 ( -4.684 3.425 0.000) 5.803 9.866 ( -2.571 0.113 0.000) 2.574 9.987 ( -1.033 2.684 0.000) 2.875 10.096 ( 1.628 0.841 0.000) 1.832 10.382 ( 14.482 1.958 0.000) 14.614 10.475 ( -6.119 3.239 0.000) 6.923 10.480 ( 2.125 -3.913 0.000) 4.453 10.862 ( 1.550 -4.745 0.000) 4.992 10.969 ( 1.484 -5.049 0.000) 5.262 11.111 ( -7.554 1.389 0.000) 7.681 11.246 ( 8.935 -0.264 0.000) 8.939 11.344 ( 0.421 -1.344 0.000) 1.408 11.549 ( -6.293 2.239 0.000) 6.679 11.687 ( -8.495 4.905 0.000) 9.809 11.763 ( 8.476 -11.233 0.000) 14.072 11.767 ( -1.940 -2.710 0.000) 3.333 11.946 ( 0.242 -3.075 0.000) 3.085 12.023 ( 5.978 -2.259 0.000) 6.391 12.193 ( 4.984 6.804 0.000) 8.434 12.314 ( 5.716 -6.767 0.000) 8.858 12.359 ( -3.422 -2.319 0.000) 4.133 12.442 ( -8.651 -3.986 0.000) 9.525 12.718 ( -1.503 0.371 0.000) 1.548 12.824 ( 1.070 -9.440 0.000) 9.500 12.903 ( -3.474 8.434 0.000) 9.121 13.009 ( 1.762 -1.828 0.000) 2.538 13.304 ( -2.042 9.185 0.000) 9.410 13.507 ( 6.140 -4.282 0.000) 7.485 13.799 ( -7.863 2.658 0.000) 8.300 14.030 ( -10.956 2.101 0.000) 11.155 14.190 ( -3.128 -7.061 0.000) 7.723 14.285 ( -6.404 -0.424 0.000) 6.418 14.479 ( -0.937 -3.992 0.000) 4.100 14.569 ( 5.787 0.133 0.000) 5.789 14.634 ( -5.425 7.521 0.000) 9.274 14.948 ( 13.489 -3.950 0.000) 14.055 15.027 ( 4.681 2.275 0.000) 5.204 15.167 ( 2.008 -2.435 0.000) 3.156 15.269 ( -4.600 1.281 0.000) 4.775 15.418 ( 1.136 -2.313 0.000) 2.577 15.455 ( -2.554 6.468 0.000) 6.954 15.602 ( -0.118 5.125 0.000) 5.126 15.645 ( -2.174 0.327 0.000) 2.198 15.707 ( -0.452 -0.815 0.000) 0.932 15.819 ( -2.280 0.913 0.000) 2.456 16.022 ( 4.926 -1.214 0.000) 5.073 16.026 ( 3.450 -2.599 0.000) 4.319 16.042 ( 2.985 -2.271 0.000) 3.750 16.211 ( -0.434 -2.148 0.000) 2.191 16.834 ( 7.692 2.571 0.000) 8.110 17.013 ( -2.988 -0.052 0.000) 2.988 17.060 ( -1.262 -1.029 0.000) 1.628 17.080 ( 0.780 1.631 0.000) 1.808 17.122 ( -0.906 -0.857 0.000) 1.247 17.256 ( -1.548 2.242 0.000) 2.725 17.294 ( 0.029 -0.502 0.000) 0.503 17.317 ( -0.181 3.426 0.000) 3.431 17.490 ( -1.282 1.607 0.000) 2.056 17.711 ( 6.995 -1.955 0.000) 7.263 17.803 ( -0.817 -0.146 0.000) 0.830 17.907 ( 4.558 1.558 0.000) 4.817 17.965 ( -4.102 2.451 0.000) 4.778 17.986 ( -2.684 -3.665 0.000) 4.542 18.158 ( -0.175 2.649 0.000) 2.655 18.260 ( -0.008 0.739 0.000) 0.739 22.176 ( 5.364 0.595 0.000) 5.397 22.259 ( -0.128 1.100 0.000) 1.108 22.283 ( 0.903 -0.791 0.000) 1.201 22.361 ( 0.574 1.342 0.000) 1.460 22.499 ( -0.216 -1.821 0.000) 1.834 22.528 ( 0.994 -0.172 0.000) 1.009 22.546 ( 1.999 -1.301 0.000) 2.385 22.615 ( -0.497 1.177 0.000) 1.277 24.057 ( 1.324 3.675 0.000) 3.907 24.343 ( -0.106 1.799 0.000) 1.802 24.413 ( -0.553 -0.417 0.000) 0.693 24.517 ( 1.566 -3.094 0.000) 3.467 24.571 ( 8.714 -8.659 0.000) 12.285 24.701 ( -8.738 1.411 0.000) 8.852 24.761 ( -0.406 -5.712 0.000) 5.727 24.878 ( -1.365 -0.668 0.000) 1.519 25.792 ( 7.698 0.669 0.000) 7.727 25.961 ( 9.075 -1.179 0.000) 9.151 26.184 ( 1.380 2.150 0.000) 2.555 26.384 ( -2.154 5.658 0.000) 6.054 26.560 ( 4.929 -8.770 0.000) 10.060 26.745 ( 0.512 8.502 0.000) 8.517 27.022 ( 8.889 0.855 0.000) 8.930 27.030 ( 2.642 0.103 0.000) 2.644 27.124 ( -10.345 1.054 0.000) 10.399 27.368 ( 3.516 -4.765 0.000) 5.922 27.482 ( -2.404 -1.363 0.000) 2.764 27.512 ( 1.527 -2.360 0.000) 2.811 27.598 ( 4.735 -2.219 0.000) 5.229 27.805 ( 2.424 4.385 0.000) 5.011 27.840 ( -0.665 -0.653 0.000) 0.932 27.875 ( -1.266 2.540 0.000) 2.838 27.916 ( -1.969 2.685 0.000) 3.329 27.953 ( 4.341 -1.459 0.000) 4.579 28.326 ( -3.159 3.425 0.000) 4.659 28.332 ( -3.495 1.665 0.000) 3.871 28.392 ( -2.860 0.735 0.000) 2.953 28.604 ( -7.198 2.676 0.000) 7.680 28.698 ( 8.212 -3.406 0.000) 8.891 28.758 ( -0.171 -2.218 0.000) 2.225 28.859 ( -4.317 -7.742 0.000) 8.864 29.088 ( 6.895 -8.249 0.000) 10.751 29.091 ( 7.109 3.058 0.000) 7.739 29.297 ( -6.004 -3.847 0.000) 7.130 29.467 ( -1.195 1.777 0.000) 2.141 29.527 ( -6.240 8.672 0.000) 10.684 29.644 ( 2.141 0.043 0.000) 2.142 29.737 ( 2.737 8.677 0.000) 9.099 30.108 ( -4.021 4.430 0.000) 5.983 30.202 ( 0.872 5.919 0.000) 5.983 30.308 ( -17.482 13.561 0.000) 22.125 30.587 ( -13.602 13.715 0.000) 19.316 30.842 ( 0.326 -6.509 0.000) 6.517 30.890 ( -0.134 -5.169 0.000) 5.171 30.996 ( 0.229 -1.552 0.000) 1.568 31.469 ( -2.855 1.550 0.000) 3.249 32.789 ( 1.905 -1.989 0.000) 2.754 33.088 ( 3.358 1.779 0.000) 3.800 33.127 ( 7.974 -4.692 0.000) 9.251 33.379 ( -5.933 3.104 0.000) 6.696 33.515 ( -6.744 -0.125 0.000) 6.745 33.559 ( -3.828 0.882 0.000) 3.929 33.765 ( -6.146 2.166 0.000) 6.516 34.212 ( -3.230 -7.048 0.000) 7.753 36.265 ( 4.392 7.154 0.000) 8.394 36.436 ( 4.839 1.545 0.000) 5.079 37.070 ( -1.046 -0.878 0.000) 1.366 37.171 ( -7.382 -3.080 0.000) 7.998 37.234 ( 8.341 -3.736 0.000) 9.139 37.313 ( 20.165 -19.842 0.000) 28.290 37.607 ( 4.594 0.849 0.000) 4.672 37.943 ( -0.845 4.317 0.000) 4.399 38.094 ( 3.421 -5.116 0.000) 6.154 38.469 ( -4.806 0.184 0.000) 4.809 38.508 ( -0.586 -5.632 0.000) 5.662 38.628 ( -7.066 -1.056 0.000) 7.145 38.818 ( 2.520 7.449 0.000) 7.864 38.981 ( 3.843 2.841 0.000) 4.780 39.141 ( -8.063 19.625 0.000) 21.216 39.564 ( 2.298 1.245 0.000) 2.614 39.754 ( -4.064 -2.500 0.000) 4.771 39.827 ( 0.813 -2.304 0.000) 2.443 39.839 ( 0.857 -1.733 0.000) 1.933 40.148 ( 1.259 -5.704 0.000) 5.841 40.318 ( 14.316 -8.816 0.000) 16.813 40.566 ( 1.174 1.247 0.000) 1.712 40.623 ( 0.294 -2.635 0.000) 2.652 40.960 ( -2.491 -3.950 0.000) 4.670 41.853 ( -2.102 0.611 0.000) 2.188 42.026 ( -0.671 -0.224 0.000) 0.707 42.067 ( 0.090 -4.170 0.000) 4.171 42.183 ( -3.671 1.474 0.000) 3.955 42.301 ( -1.991 0.820 0.000) 2.153 42.311 ( -0.987 4.992 0.000) 5.089 42.624 ( 0.489 -1.865 0.000) 1.928 42.634 ( 1.223 -1.538 0.000) 1.965 83.287 ( 0.028 0.689 0.000) 0.690 83.404 ( -1.892 0.682 0.000) 2.012 83.456 ( 0.656 -0.171 0.000) 0.678 83.535 ( 5.455 -8.209 0.000) 9.856 83.870 ( 3.091 3.032 0.000) 4.330 84.087 ( 3.548 2.037 0.000) 4.091 84.246 ( -9.072 6.625 0.000) 11.233 84.394 ( 1.069 -4.941 0.000) 5.055 87.537 ( 11.732 3.512 0.000) 12.247 87.932 ( 1.259 4.944 0.000) 5.102 88.316 ( 8.569 -17.694 0.000) 19.660 88.702 ( -1.435 -6.499 0.000) 6.655 88.850 ( 16.427 -5.868 0.000) 17.443 89.065 ( -0.148 1.847 0.000) 1.853 89.073 ( 6.876 -7.907 0.000) 10.479 89.399 ( -3.515 -3.770 0.000) 5.155 92.764 ( 3.270 0.658 0.000) 3.336 92.853 ( 2.756 -0.668 0.000) 2.836 93.217 ( -1.428 -0.473 0.000) 1.505 93.256 ( -1.841 -2.083 0.000) 2.780 93.875 ( 2.482 10.705 0.000) 10.989 94.313 ( 23.522 -29.339 0.000) 37.604 94.708 ( 31.479 -40.879 0.000) 51.595 95.497 ( -0.223 -18.027 0.000) 18.028 96.886 ( 2.213 9.016 0.000) 9.284 96.901 ( 3.218 8.658 0.000) 9.237 97.517 ( -0.886 11.391 0.000) 11.425 97.724 ( 3.506 -4.550 0.000) 5.744 97.785 ( 3.156 -5.404 0.000) 6.258 98.144 ( -23.347 21.070 0.000) 31.449 98.382 ( -3.025 -4.321 0.000) 5.274 98.493 ( -4.709 -1.573 0.000) 4.964 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 25.491 34.297 0.000) 42.732 1.926 ( 38.228 11.640 0.000) 39.961 2.488 ( 31.299 9.895 0.000) 32.826 3.126 ( 34.581 14.980 0.000) 37.686 3.167 ( -14.599 11.258 0.000) 18.436 3.401 ( -1.330 -10.627 0.000) 10.710 3.641 ( -7.849 8.562 0.000) 11.615 3.729 ( -10.145 -8.154 0.000) 13.016 3.846 ( 5.063 -1.783 0.000) 5.368 4.107 ( 5.175 -1.101 0.000) 5.291 4.109 ( -6.984 4.039 0.000) 8.067 4.238 ( 0.623 4.986 0.000) 5.024 4.376 ( -5.571 6.929 0.000) 8.891 4.402 ( 3.013 -4.616 0.000) 5.512 4.549 ( 21.175 -6.133 0.000) 22.046 4.617 ( 9.675 3.395 0.000) 10.254 4.879 ( 13.511 3.519 0.000) 13.962 4.887 ( 4.675 -0.792 0.000) 4.741 4.905 ( -1.426 -5.265 0.000) 5.454 5.023 ( -10.572 -1.025 0.000) 10.622 5.149 ( 5.227 0.347 0.000) 5.239 5.225 ( 1.315 1.391 0.000) 1.914 5.389 ( -0.022 -0.274 0.000) 0.275 5.524 ( 4.582 -10.311 0.000) 11.283 5.719 ( 3.305 -9.951 0.000) 10.485 5.893 ( 8.241 4.713 0.000) 9.494 5.961 ( 2.631 -6.678 0.000) 7.177 6.048 ( -3.265 5.323 0.000) 6.245 6.082 ( 2.644 -2.937 0.000) 3.952 6.138 ( -17.974 -7.979 0.000) 19.666 6.635 ( -7.244 2.342 0.000) 7.613 6.707 ( -8.497 -3.206 0.000) 9.082 6.784 ( 1.820 4.879 0.000) 5.208 6.850 ( -3.817 -0.007 0.000) 3.817 6.981 ( -3.054 -4.223 0.000) 5.212 7.096 ( -2.030 4.595 0.000) 5.023 7.220 ( -13.008 3.683 0.000) 13.519 7.412 ( -18.933 1.679 0.000) 19.007 7.430 ( -19.702 2.438 0.000) 19.852 7.826 ( -11.692 -10.753 0.000) 15.884 7.860 ( -8.323 2.039 0.000) 8.569 8.345 ( 12.229 -3.785 0.000) 12.802 8.468 ( -0.243 -8.385 0.000) 8.388 8.478 ( -1.047 -1.083 0.000) 1.507 8.665 ( -6.010 1.862 0.000) 6.292 8.716 ( 4.468 3.198 0.000) 5.495 8.808 ( 8.410 4.031 0.000) 9.326 8.814 ( 5.072 3.829 0.000) 6.355 9.798 ( -2.662 -2.557 0.000) 3.691 9.980 ( 1.121 0.534 0.000) 1.242 10.125 ( 0.283 0.799 0.000) 0.847 10.375 ( -3.917 6.305 0.000) 7.423 10.464 ( -5.656 -3.593 0.000) 6.700 10.660 ( 12.279 -3.062 0.000) 12.655 10.757 ( -12.290 -2.525 0.000) 12.546 10.995 ( 0.355 -5.635 0.000) 5.646 11.016 ( 0.126 4.081 0.000) 4.083 11.306 ( -5.018 -2.289 0.000) 5.516 11.346 ( -1.456 2.102 0.000) 2.557 11.526 ( 6.868 -4.160 0.000) 8.030 11.652 ( 6.787 8.001 0.000) 10.492 11.753 ( 0.706 -0.611 0.000) 0.934 11.766 ( -6.308 -6.674 0.000) 9.183 12.012 ( 6.111 -1.011 0.000) 6.194 12.029 ( -4.921 -1.116 0.000) 5.046 12.255 ( -7.282 -0.220 0.000) 7.285 12.260 ( 1.620 6.591 0.000) 6.787 12.350 ( -1.320 -5.442 0.000) 5.600 12.396 ( 2.680 -5.637 0.000) 6.241 12.639 ( -6.744 2.980 0.000) 7.373 12.855 ( 2.076 -8.980 0.000) 9.217 12.885 ( 1.322 -1.353 0.000) 1.891 13.053 ( 2.932 0.756 0.000) 3.028 13.252 ( -3.371 8.287 0.000) 8.947 13.645 ( -0.608 0.220 0.000) 0.646 13.670 ( 4.556 -3.050 0.000) 5.483 13.911 ( -0.002 -0.925 0.000) 0.925 14.033 ( -12.600 2.606 0.000) 12.866 14.160 ( -6.190 -11.340 0.000) 12.920 14.375 ( -9.524 -4.522 0.000) 10.543 14.657 ( 6.614 8.337 0.000) 10.642 14.734 ( 9.291 1.691 0.000) 9.443 15.072 ( -0.243 -0.167 0.000) 0.295 15.103 ( -1.740 -1.927 0.000) 2.596 15.201 ( 2.137 2.364 0.000) 3.187 15.230 ( 4.055 -0.750 0.000) 4.124 15.397 ( -2.604 7.879 0.000) 8.298 15.430 ( 0.662 -2.927 0.000) 3.001 15.597 ( -0.890 4.844 0.000) 4.925 15.622 ( -0.417 -0.567 0.000) 0.703 15.685 ( -1.515 0.561 0.000) 1.615 15.774 ( -2.610 2.378 0.000) 3.531 16.094 ( 3.428 -3.218 0.000) 4.702 16.113 ( 4.212 -2.780 0.000) 5.047 16.121 ( 4.894 -2.646 0.000) 5.563 16.201 ( -0.635 -2.915 0.000) 2.983 16.957 ( 1.244 2.636 0.000) 2.915 16.975 ( 2.531 3.184 0.000) 4.067 17.026 ( -2.237 0.690 0.000) 2.341 17.100 ( -1.285 -0.332 0.000) 1.327 17.113 ( 1.232 -1.278 0.000) 1.776 17.207 ( -3.253 2.642 0.000) 4.190 17.313 ( 2.992 4.893 0.000) 5.735 17.327 ( 0.906 3.959 0.000) 4.061 17.470 ( 0.906 -1.216 0.000) 1.516 17.782 ( -1.305 -0.194 0.000) 1.319 17.815 ( 1.100 -3.367 0.000) 3.542 17.906 ( -5.796 -3.754 0.000) 6.906 17.914 ( 2.461 3.060 0.000) 3.927 18.034 ( 6.740 0.542 0.000) 6.762 18.143 ( -1.691 2.371 0.000) 2.912 18.257 ( -0.553 -0.250 0.000) 0.606 22.258 ( 0.186 1.078 0.000) 1.094 22.285 ( 2.474 -0.115 0.000) 2.477 22.306 ( 4.245 0.254 0.000) 4.252 22.388 ( 2.515 1.143 0.000) 2.763 22.495 ( -0.714 -2.783 0.000) 2.873 22.541 ( 0.038 0.573 0.000) 0.574 22.591 ( 2.355 -1.568 0.000) 2.829 22.610 ( 0.245 0.996 0.000) 1.025 24.101 ( 3.577 3.548 0.000) 5.038 24.344 ( 0.213 1.467 0.000) 1.482 24.396 ( -1.225 0.213 0.000) 1.243 24.513 ( -9.532 2.599 0.000) 9.880 24.560 ( 3.064 -2.979 0.000) 4.273 24.681 ( 2.685 -7.831 0.000) 8.278 24.750 ( -0.691 -5.680 0.000) 5.722 24.817 ( -4.470 -1.795 0.000) 4.817 25.985 ( 11.884 0.828 0.000) 11.913 26.175 ( 12.422 -1.369 0.000) 12.498 26.239 ( 4.905 3.515 0.000) 6.034 26.336 ( -2.766 5.098 0.000) 5.800 26.659 ( 6.448 -5.110 0.000) 8.228 26.722 ( -4.269 7.585 0.000) 8.704 26.909 ( -11.877 0.425 0.000) 11.884 27.055 ( -1.231 0.923 0.000) 1.539 27.197 ( 8.553 -0.228 0.000) 8.557 27.412 ( -0.172 -3.620 0.000) 3.624 27.446 ( 1.035 -2.837 0.000) 3.020 27.570 ( 4.629 -2.462 0.000) 5.243 27.643 ( 0.046 5.799 0.000) 5.799 27.802 ( -0.757 3.200 0.000) 3.289 27.803 ( -4.489 1.703 0.000) 4.801 27.902 ( 4.885 2.591 0.000) 5.530 27.925 ( 0.680 0.488 0.000) 0.837 28.051 ( 6.322 -2.402 0.000) 6.763 28.225 ( -7.435 0.292 0.000) 7.441 28.284 ( -1.170 1.619 0.000) 1.998 28.329 ( -3.268 -3.697 0.000) 4.935 28.464 ( -6.661 3.624 0.000) 7.583 28.807 ( 0.402 -8.054 0.000) 8.064 28.807 ( 2.517 -7.653 0.000) 8.056 28.868 ( 9.186 -0.321 0.000) 9.191 29.155 ( -4.516 0.482 0.000) 4.542 29.223 ( 7.637 -5.852 0.000) 9.621 29.284 ( 8.245 0.034 0.000) 8.245 29.411 ( -6.093 4.788 0.000) 7.749 29.414 ( -3.895 3.383 0.000) 5.159 29.651 ( -1.570 -1.841 0.000) 2.420 29.757 ( -0.879 3.940 0.000) 4.037 30.022 ( -4.412 10.377 0.000) 11.276 30.074 ( -8.258 12.661 0.000) 15.116 30.185 ( -2.863 7.509 0.000) 8.036 30.335 ( -11.999 14.939 0.000) 19.161 30.854 ( -2.110 -3.758 0.000) 4.310 30.862 ( 0.898 -6.841 0.000) 6.900 31.030 ( 4.739 -1.627 0.000) 5.011 31.462 ( -1.390 -4.297 0.000) 4.516 32.851 ( 5.157 -0.546 0.000) 5.186 33.153 ( 3.713 2.489 0.000) 4.470 33.225 ( 1.322 -2.403 0.000) 2.743 33.352 ( -10.011 -0.029 0.000) 10.012 33.434 ( 11.790 -3.223 0.000) 12.223 33.457 ( -6.719 -0.409 0.000) 6.731 33.618 ( -8.967 2.619 0.000) 9.342 34.113 ( -7.426 -7.397 0.000) 10.482 36.389 ( 8.541 7.585 0.000) 11.423 36.560 ( 8.014 1.287 0.000) 8.116 37.002 ( -10.107 3.200 0.000) 10.601 37.021 ( -4.348 -0.710 0.000) 4.405 37.399 ( 9.315 -3.290 0.000) 9.879 37.566 ( 8.577 -12.795 0.000) 15.404 37.671 ( 1.401 -4.681 0.000) 4.886 37.912 ( -2.691 3.025 0.000) 4.049 38.177 ( 4.947 -6.272 0.000) 7.988 38.382 ( -3.473 -3.642 0.000) 5.032 38.497 ( -0.493 -4.640 0.000) 4.666 38.545 ( -2.744 -1.511 0.000) 3.132 38.882 ( 4.029 8.317 0.000) 9.241 39.070 ( -2.048 15.318 0.000) 15.454 39.094 ( 8.221 2.421 0.000) 8.570 39.627 ( 4.245 0.910 0.000) 4.341 39.645 ( -7.482 -1.749 0.000) 7.683 39.842 ( -0.811 -0.839 0.000) 1.167 39.851 ( 1.802 -1.702 0.000) 2.479 40.075 ( -5.514 -0.218 0.000) 5.519 40.513 ( 6.231 -7.089 0.000) 9.438 40.592 ( 1.302 0.775 0.000) 1.515 40.642 ( 1.904 -2.430 0.000) 3.087 40.892 ( -4.638 -2.984 0.000) 5.515 41.824 ( -0.546 0.500 0.000) 0.740 41.994 ( -3.027 -0.105 0.000) 3.029 42.057 ( -0.965 -5.498 0.000) 5.582 42.105 ( -3.919 -2.482 0.000) 4.639 42.273 ( -0.814 4.195 0.000) 4.273 42.294 ( -0.714 5.961 0.000) 6.004 42.639 ( 0.986 -2.286 0.000) 2.489 42.656 ( 0.910 -1.886 0.000) 2.095 83.291 ( 0.356 1.076 0.000) 1.133 83.364 ( -2.218 1.152 0.000) 2.500 83.471 ( 0.964 -0.517 0.000) 1.093 83.570 ( -0.770 -5.485 0.000) 5.539 83.944 ( 4.491 2.649 0.000) 5.214 84.134 ( -2.805 4.131 0.000) 4.993 84.182 ( 5.194 0.826 0.000) 5.260 84.407 ( -0.071 -4.487 0.000) 4.487 87.828 ( 18.008 3.374 0.000) 18.321 87.970 ( 2.947 4.403 0.000) 5.298 88.281 ( -6.020 -2.430 0.000) 6.493 88.636 ( -6.090 -5.191 0.000) 8.002 89.064 ( 6.681 -4.281 0.000) 7.935 89.075 ( 1.409 0.644 0.000) 1.549 89.178 ( 3.313 -7.707 0.000) 8.389 89.320 ( -4.328 -1.700 0.000) 4.650 92.851 ( 5.789 0.576 0.000) 5.818 92.924 ( 4.630 -0.478 0.000) 4.655 93.176 ( -3.021 -0.501 0.000) 3.062 93.200 ( -4.110 -0.959 0.000) 4.220 93.940 ( 4.247 7.415 0.000) 8.545 94.297 ( -7.601 -6.617 0.000) 10.078 95.311 ( 19.096 -54.308 0.000) 57.568 95.496 ( 0.226 -20.482 0.000) 20.483 96.945 ( 3.851 9.536 0.000) 10.285 96.984 ( 4.968 7.437 0.000) 8.943 97.494 ( -1.569 11.082 0.000) 11.192 97.680 ( -11.446 17.438 0.000) 20.859 97.872 ( 5.992 -5.192 0.000) 7.929 97.914 ( 2.729 2.935 0.000) 4.007 98.302 ( -5.349 -3.979 0.000) 6.667 98.367 ( -8.232 -2.013 0.000) 8.474 ======================= Grid point 10 (8/48) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 28.510 24.188 0.000) 37.388 2.545 ( 22.321 5.832 0.000) 23.070 2.746 ( -23.738 17.084 0.000) 29.247 2.792 ( 3.869 5.514 0.000) 6.736 3.392 ( -0.601 -3.775 0.000) 3.823 3.492 ( -12.069 -6.189 0.000) 13.563 3.606 ( 3.473 5.528 0.000) 6.528 3.654 ( 4.291 7.466 0.000) 8.611 3.929 ( 7.140 2.826 0.000) 7.679 3.947 ( -4.411 3.228 0.000) 5.466 4.095 ( 0.898 12.433 0.000) 12.466 4.229 ( -4.655 10.372 0.000) 11.368 4.455 ( 16.241 -0.177 0.000) 16.242 4.465 ( 5.071 -4.910 0.000) 7.058 4.646 ( -8.194 -3.637 0.000) 8.965 4.732 ( -2.642 1.910 0.000) 3.260 5.026 ( 10.287 -3.568 0.000) 10.888 5.041 ( 9.570 -5.584 0.000) 11.080 5.106 ( 7.652 -5.401 0.000) 9.366 5.188 ( 7.714 -0.585 0.000) 7.736 5.220 ( 2.712 4.263 0.000) 5.052 5.343 ( -4.904 3.686 0.000) 6.134 5.428 ( 29.008 0.611 0.000) 29.014 5.618 ( 7.035 -10.571 0.000) 12.698 5.766 ( -2.985 -6.906 0.000) 7.524 5.832 ( -9.168 -5.736 0.000) 10.815 5.894 ( -1.454 -7.226 0.000) 7.371 6.019 ( 1.104 -1.008 0.000) 1.495 6.067 ( 2.931 2.193 0.000) 3.661 6.144 ( -11.552 -3.251 0.000) 12.001 6.292 ( -16.721 0.695 0.000) 16.735 6.400 ( -16.422 -5.838 0.000) 17.429 6.516 ( -8.703 4.141 0.000) 9.638 6.760 ( -19.735 4.733 0.000) 20.295 6.934 ( -1.583 7.090 0.000) 7.265 6.978 ( 0.095 0.253 0.000) 0.270 7.136 ( 4.851 3.311 0.000) 5.873 7.279 ( -8.755 3.641 0.000) 9.482 7.339 ( 13.846 -6.686 0.000) 15.375 7.591 ( -12.865 -10.333 0.000) 16.501 7.902 ( 10.511 5.021 0.000) 11.649 8.164 ( -15.679 5.829 0.000) 16.728 8.483 ( 4.047 -6.543 0.000) 7.693 8.572 ( -0.847 -7.176 0.000) 7.226 8.611 ( 0.634 2.183 0.000) 2.273 8.678 ( -5.732 2.179 0.000) 6.132 9.003 ( 8.207 -1.593 0.000) 8.360 9.011 ( 8.167 -1.623 0.000) 8.327 9.860 ( 9.745 0.592 0.000) 9.763 10.058 ( 7.498 -4.069 0.000) 8.531 10.062 ( -8.021 2.554 0.000) 8.418 10.259 ( -13.258 -5.016 0.000) 14.175 10.354 ( 2.741 6.478 0.000) 7.034 10.501 ( -12.378 1.453 0.000) 12.462 10.836 ( 7.404 -7.062 0.000) 10.232 10.955 ( -4.810 -7.163 0.000) 8.628 11.088 ( 4.584 8.046 0.000) 9.260 11.177 ( -5.974 4.333 0.000) 7.380 11.385 ( 7.232 -1.283 0.000) 7.345 11.577 ( -11.389 -3.835 0.000) 12.018 11.704 ( 9.693 -3.026 0.000) 10.154 11.802 ( 4.203 -1.606 0.000) 4.499 11.805 ( 3.409 2.042 0.000) 3.974 11.897 ( -7.576 -0.069 0.000) 7.576 12.144 ( 6.215 2.573 0.000) 6.727 12.160 ( -1.253 0.673 0.000) 1.422 12.245 ( -1.969 2.192 0.000) 2.946 12.304 ( -4.427 -2.814 0.000) 5.246 12.433 ( 2.120 -1.396 0.000) 2.538 12.506 ( -6.118 2.996 0.000) 6.812 12.894 ( 1.775 -8.548 0.000) 8.731 12.910 ( 0.387 -7.089 0.000) 7.100 13.115 ( 3.541 4.031 0.000) 5.365 13.184 ( -3.749 6.598 0.000) 7.589 13.629 ( 4.210 4.224 0.000) 5.963 13.790 ( -11.876 3.907 0.000) 12.502 13.870 ( 10.955 -7.892 0.000) 13.502 13.987 ( 7.200 -3.922 0.000) 8.199 14.038 ( -7.132 -10.475 0.000) 12.673 14.171 ( -11.451 -4.235 0.000) 12.209 14.810 ( 8.845 5.509 0.000) 10.420 14.891 ( 7.470 1.521 0.000) 7.623 14.976 ( -8.525 2.981 0.000) 9.031 15.015 ( -5.412 0.513 0.000) 5.437 15.269 ( 2.356 2.820 0.000) 3.675 15.283 ( 0.874 2.023 0.000) 2.204 15.400 ( 2.931 3.574 0.000) 4.622 15.444 ( -0.247 -2.635 0.000) 2.647 15.574 ( -0.575 1.589 0.000) 1.690 15.599 ( -2.283 -2.780 0.000) 3.597 15.680 ( 1.341 3.935 0.000) 4.157 15.722 ( -2.744 3.594 0.000) 4.522 16.149 ( 2.338 -3.951 0.000) 4.591 16.179 ( -0.213 -4.051 0.000) 4.057 16.180 ( 2.380 -2.867 0.000) 3.726 16.191 ( 0.608 -2.814 0.000) 2.879 16.954 ( 0.711 3.410 0.000) 3.484 16.983 ( -2.166 2.600 0.000) 3.384 17.047 ( 2.900 3.395 0.000) 4.465 17.078 ( -1.003 0.910 0.000) 1.354 17.116 ( 0.264 0.656 0.000) 0.707 17.148 ( -2.798 3.341 0.000) 4.358 17.341 ( 0.510 3.187 0.000) 3.228 17.347 ( 0.087 4.411 0.000) 4.412 17.580 ( 9.578 -3.328 0.000) 10.140 17.749 ( -5.148 -1.537 0.000) 5.372 17.784 ( -3.844 -2.960 0.000) 4.851 17.788 ( -1.743 -2.219 0.000) 2.822 18.006 ( 5.283 2.491 0.000) 5.841 18.092 ( -3.720 2.313 0.000) 4.380 18.152 ( 5.431 -0.450 0.000) 5.449 18.229 ( -2.704 -0.720 0.000) 2.799 22.267 ( 0.785 1.108 0.000) 1.358 22.284 ( -0.787 0.965 0.000) 1.246 22.400 ( 4.014 -1.373 0.000) 4.242 22.457 ( 4.283 1.426 0.000) 4.514 22.462 ( -2.645 -2.067 0.000) 3.357 22.521 ( -2.256 1.071 0.000) 2.497 22.622 ( 0.666 -0.280 0.000) 0.723 22.622 ( 0.841 -1.258 0.000) 1.513 24.195 ( 6.382 3.216 0.000) 7.146 24.336 ( -8.170 2.575 0.000) 8.566 24.353 ( 0.842 1.148 0.000) 1.424 24.376 ( -1.749 1.055 0.000) 2.043 24.630 ( 4.260 -2.816 0.000) 5.107 24.704 ( -1.352 -4.725 0.000) 4.915 24.734 ( -2.531 -4.183 0.000) 4.889 24.736 ( -0.747 -5.856 0.000) 5.903 26.187 ( 7.856 0.550 0.000) 7.875 26.280 ( -3.343 3.565 0.000) 4.888 26.341 ( 9.518 6.809 0.000) 11.703 26.449 ( 13.830 -2.066 0.000) 13.984 26.560 ( -11.927 6.716 0.000) 13.688 26.692 ( -11.735 -1.564 0.000) 11.839 26.808 ( 8.961 -2.016 0.000) 9.184 26.969 ( -7.398 0.043 0.000) 7.398 27.322 ( 4.639 -0.491 0.000) 4.665 27.381 ( -2.116 -1.120 0.000) 2.394 27.522 ( 5.440 1.547 0.000) 5.655 27.611 ( -3.364 7.010 0.000) 7.775 27.663 ( 4.593 -1.828 0.000) 4.944 27.732 ( -3.169 0.759 0.000) 3.258 27.809 ( 2.111 1.880 0.000) 2.827 27.886 ( -4.765 -1.441 0.000) 4.978 27.996 ( 5.093 1.980 0.000) 5.464 28.096 ( -5.806 2.895 0.000) 6.488 28.188 ( 7.783 -2.599 0.000) 8.206 28.278 ( 0.423 0.214 0.000) 0.474 28.281 ( -1.803 -7.418 0.000) 7.634 28.343 ( -6.623 3.283 0.000) 7.392 28.822 ( 2.108 -9.496 0.000) 9.727 28.854 ( 0.057 -12.036 0.000) 12.036 29.020 ( 6.273 1.062 0.000) 6.362 29.085 ( -2.023 2.190 0.000) 2.981 29.303 ( -3.858 4.697 0.000) 6.078 29.303 ( -4.005 0.879 0.000) 4.101 29.385 ( 8.939 -1.946 0.000) 9.148 29.482 ( 6.979 -3.947 0.000) 8.018 29.576 ( -4.458 -0.921 0.000) 4.552 29.681 ( -7.301 -2.161 0.000) 7.614 29.982 ( 0.169 17.628 0.000) 17.629 29.988 ( -1.144 14.138 0.000) 14.185 30.121 ( -2.451 9.227 0.000) 9.547 30.158 ( -6.450 13.954 0.000) 15.373 30.836 ( 0.250 -3.207 0.000) 3.217 30.854 ( -1.251 -3.945 0.000) 4.139 31.184 ( 10.410 -5.215 0.000) 11.643 31.370 ( -8.213 -6.401 0.000) 10.413 32.982 ( 8.506 0.219 0.000) 8.509 33.159 ( -10.085 0.195 0.000) 10.087 33.220 ( 3.976 -1.387 0.000) 4.211 33.295 ( 6.576 2.709 0.000) 7.112 33.324 ( -6.870 -1.658 0.000) 7.067 33.446 ( -8.964 3.218 0.000) 9.524 33.692 ( 14.011 -6.399 0.000) 15.403 33.934 ( -11.457 -7.334 0.000) 13.604 36.573 ( 10.602 7.265 0.000) 12.852 36.709 ( 4.626 1.119 0.000) 4.759 36.816 ( -6.700 5.920 0.000) 8.941 36.906 ( -7.617 0.106 0.000) 7.618 37.556 ( 6.885 -5.511 0.000) 8.819 37.652 ( -3.280 -6.139 0.000) 6.960 37.707 ( 7.281 -3.761 0.000) 8.195 37.834 ( -5.677 0.525 0.000) 5.702 38.266 ( 4.228 -7.051 0.000) 8.221 38.330 ( -2.708 -6.645 0.000) 7.175 38.494 ( 0.210 -3.560 0.000) 3.566 38.508 ( -1.330 -2.474 0.000) 2.809 38.961 ( 4.064 9.812 0.000) 10.620 39.027 ( -2.858 12.091 0.000) 12.424 39.277 ( 10.735 0.995 0.000) 10.781 39.478 ( -10.099 -0.672 0.000) 10.121 39.717 ( 5.024 0.565 0.000) 5.055 39.801 ( -3.580 0.107 0.000) 3.582 39.897 ( 3.202 -0.966 0.000) 3.345 39.974 ( -4.917 -0.364 0.000) 4.931 40.588 ( 2.237 -2.794 0.000) 3.579 40.607 ( 0.063 -0.400 0.000) 0.405 40.700 ( 4.244 -2.094 0.000) 4.732 40.794 ( -5.460 -2.224 0.000) 5.896 41.843 ( 2.605 0.308 0.000) 2.623 41.915 ( -4.686 0.200 0.000) 4.691 42.043 ( -0.263 -5.493 0.000) 5.499 42.054 ( -1.531 -4.571 0.000) 4.821 42.270 ( 0.362 5.391 0.000) 5.403 42.281 ( -0.704 5.920 0.000) 5.962 42.656 ( 0.780 -2.356 0.000) 2.482 42.665 ( -0.032 -2.193 0.000) 2.193 83.302 ( 0.895 1.449 0.000) 1.703 83.326 ( -1.698 1.466 0.000) 2.243 83.496 ( 1.789 -1.197 0.000) 2.153 83.536 ( -2.314 -2.648 0.000) 3.516 84.025 ( 3.829 2.372 0.000) 4.504 84.085 ( -2.627 2.702 0.000) 3.768 84.292 ( 5.686 -1.614 0.000) 5.910 84.378 ( -3.158 -3.395 0.000) 4.637 88.045 ( 4.935 3.451 0.000) 6.022 88.139 ( 1.351 0.967 0.000) 1.662 88.191 ( 9.720 2.634 0.000) 10.070 88.463 ( -12.440 -1.519 0.000) 12.533 89.112 ( 2.173 -2.260 0.000) 3.135 89.133 ( 0.836 -4.532 0.000) 4.608 89.212 ( 1.318 -2.139 0.000) 2.512 89.250 ( -2.895 -0.735 0.000) 2.986 92.972 ( 6.846 0.319 0.000) 6.854 93.019 ( 5.180 -0.300 0.000) 5.189 93.095 ( -5.874 -0.353 0.000) 5.885 93.112 ( -4.717 -0.121 0.000) 4.719 94.032 ( 5.601 3.360 0.000) 6.532 94.152 ( -7.247 -1.144 0.000) 7.337 95.491 ( 3.123 -36.861 0.000) 36.993 95.505 ( 0.499 -26.015 0.000) 26.020 97.020 ( 3.591 9.696 0.000) 10.340 97.050 ( 1.092 7.953 0.000) 8.028 97.468 ( -0.669 12.383 0.000) 12.401 97.503 ( -5.511 17.528 0.000) 18.374 98.002 ( 7.239 -5.529 0.000) 9.109 98.022 ( 5.955 -4.875 0.000) 7.696 98.192 ( -5.777 -2.797 0.000) 6.419 98.205 ( -8.020 -1.862 0.000) 8.233 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 36.706 0.000) 36.706 1.732 ( 0.000 40.977 0.000) 40.977 2.175 ( 0.000 47.726 0.000) 47.726 2.806 ( 0.000 -26.375 0.000) 26.375 2.956 ( 0.000 0.756 0.000) 0.756 3.215 ( 0.000 2.086 0.000) 2.086 3.512 ( 0.000 -18.622 0.000) 18.622 3.809 ( 0.000 8.616 0.000) 8.616 3.815 ( 0.000 11.304 0.000) 11.304 3.958 ( 0.000 -14.259 0.000) 14.259 4.057 ( 0.000 5.799 0.000) 5.799 4.188 ( 0.000 -6.465 0.000) 6.465 4.249 ( 0.000 0.216 0.000) 0.216 4.482 ( 0.000 6.053 0.000) 6.053 4.511 ( 0.000 -1.673 0.000) 1.673 4.553 ( 0.000 -12.596 0.000) 12.596 4.580 ( 0.000 -8.996 0.000) 8.996 4.913 ( 0.000 7.798 0.000) 7.798 4.968 ( 0.000 -13.328 0.000) 13.328 5.118 ( 0.000 1.861 0.000) 1.861 5.201 ( 0.000 2.090 0.000) 2.090 5.203 ( 0.000 -0.084 0.000) 0.084 5.231 ( 0.000 12.771 0.000) 12.771 5.334 ( 0.000 -7.669 0.000) 7.669 5.406 ( 0.000 -0.567 0.000) 0.567 5.914 ( 0.000 -14.188 0.000) 14.188 5.968 ( 0.000 -1.031 0.000) 1.031 6.065 ( 0.000 13.446 0.000) 13.446 6.252 ( 0.000 -13.592 0.000) 13.592 6.265 ( 0.000 2.583 0.000) 2.583 6.625 ( 0.000 11.974 0.000) 11.974 6.688 ( 0.000 1.241 0.000) 1.241 6.884 ( 0.000 2.446 0.000) 2.446 6.919 ( 0.000 3.687 0.000) 3.687 7.177 ( 0.000 -11.340 0.000) 11.340 7.223 ( 0.000 -8.148 0.000) 8.148 7.451 ( 0.000 7.089 0.000) 7.089 7.610 ( 0.000 -3.462 0.000) 3.462 7.697 ( 0.000 4.277 0.000) 4.277 7.857 ( 0.000 -3.525 0.000) 3.525 8.305 ( 0.000 2.536 0.000) 2.536 8.365 ( 0.000 2.100 0.000) 2.100 8.385 ( 0.000 -3.440 0.000) 3.440 8.448 ( 0.000 -1.547 0.000) 1.547 8.641 ( 0.000 1.306 0.000) 1.306 8.755 ( 0.000 -2.863 0.000) 2.863 8.839 ( 0.000 0.208 0.000) 0.208 8.863 ( 0.000 -0.628 0.000) 0.628 10.009 ( 0.000 2.052 0.000) 2.052 10.026 ( 0.000 4.998 0.000) 4.998 10.150 ( 0.000 4.225 0.000) 4.225 10.293 ( 0.000 5.814 0.000) 5.814 10.374 ( 0.000 -4.848 0.000) 4.848 10.527 ( 0.000 1.155 0.000) 1.155 10.664 ( 0.000 -9.347 0.000) 9.347 10.822 ( 0.000 -9.158 0.000) 9.158 11.247 ( 0.000 2.283 0.000) 2.283 11.269 ( 0.000 8.629 0.000) 8.629 11.308 ( 0.000 -1.022 0.000) 1.022 11.522 ( 0.000 -3.535 0.000) 3.535 11.706 ( 0.000 5.156 0.000) 5.156 11.741 ( 0.000 -0.903 0.000) 0.903 11.856 ( 0.000 -6.095 0.000) 6.095 11.875 ( 0.000 0.866 0.000) 0.866 11.901 ( 0.000 1.251 0.000) 1.251 12.040 ( 0.000 -10.758 0.000) 10.758 12.304 ( 0.000 9.016 0.000) 9.016 12.352 ( 0.000 -1.762 0.000) 1.762 12.425 ( 0.000 -5.129 0.000) 5.129 12.637 ( 0.000 -8.286 0.000) 8.286 12.761 ( 0.000 2.359 0.000) 2.359 12.913 ( 0.000 -4.511 0.000) 4.511 13.153 ( 0.000 8.405 0.000) 8.405 13.379 ( 0.000 -3.604 0.000) 3.604 13.514 ( 0.000 9.885 0.000) 9.885 13.983 ( 0.000 -13.011 0.000) 13.011 14.021 ( 0.000 6.481 0.000) 6.481 14.157 ( 0.000 1.060 0.000) 1.060 14.418 ( 0.000 2.064 0.000) 2.064 14.439 ( 0.000 -0.724 0.000) 0.724 14.549 ( 0.000 -4.640 0.000) 4.640 14.591 ( 0.000 -5.323 0.000) 5.323 14.824 ( 0.000 5.331 0.000) 5.331 15.037 ( 0.000 -1.346 0.000) 1.346 15.112 ( 0.000 5.523 0.000) 5.523 15.329 ( 0.000 0.766 0.000) 0.766 15.371 ( 0.000 -1.257 0.000) 1.257 15.490 ( 0.000 -5.936 0.000) 5.936 15.695 ( 0.000 5.009 0.000) 5.009 15.702 ( 0.000 3.082 0.000) 3.082 15.722 ( 0.000 1.769 0.000) 1.769 15.851 ( 0.000 -0.257 0.000) 0.257 15.924 ( 0.000 -2.945 0.000) 2.945 15.966 ( 0.000 -2.680 0.000) 2.680 15.984 ( 0.000 2.288 0.000) 2.288 16.159 ( 0.000 -3.951 0.000) 3.951 16.821 ( 0.000 4.813 0.000) 4.813 17.008 ( 0.000 -3.508 0.000) 3.508 17.053 ( 0.000 -0.135 0.000) 0.135 17.100 ( 0.000 -1.857 0.000) 1.857 17.141 ( 0.000 3.188 0.000) 3.188 17.246 ( 0.000 -1.846 0.000) 1.846 17.340 ( 0.000 2.892 0.000) 2.892 17.353 ( 0.000 1.605 0.000) 1.605 17.517 ( 0.000 2.102 0.000) 2.102 17.608 ( 0.000 -2.121 0.000) 2.121 17.818 ( 0.000 1.015 0.000) 1.015 17.926 ( 0.000 3.884 0.000) 3.884 17.930 ( 0.000 -4.076 0.000) 4.076 18.030 ( 0.000 -0.925 0.000) 0.925 18.218 ( 0.000 2.823 0.000) 2.823 18.278 ( 0.000 0.254 0.000) 0.254 22.148 ( 0.000 1.740 0.000) 1.740 22.235 ( 0.000 -2.232 0.000) 2.232 22.301 ( 0.000 2.733 0.000) 2.733 22.398 ( 0.000 2.463 0.000) 2.463 22.441 ( 0.000 -3.938 0.000) 3.938 22.495 ( 0.000 -1.981 0.000) 1.981 22.548 ( 0.000 2.401 0.000) 2.401 22.624 ( 0.000 -0.749 0.000) 0.749 24.146 ( 0.000 6.177 0.000) 6.177 24.401 ( 0.000 0.068 0.000) 0.068 24.404 ( 0.000 3.998 0.000) 3.998 24.410 ( 0.000 -0.486 0.000) 0.486 24.411 ( 0.000 -5.839 0.000) 5.839 24.631 ( 0.000 -6.992 0.000) 6.992 24.854 ( 0.000 0.984 0.000) 0.984 24.862 ( 0.000 0.437 0.000) 0.437 25.738 ( 0.000 2.275 0.000) 2.275 25.848 ( 0.000 -1.552 0.000) 1.552 26.206 ( 0.000 0.549 0.000) 0.549 26.331 ( 0.000 -7.252 0.000) 7.252 26.576 ( 0.000 10.932 0.000) 10.932 26.906 ( 0.000 6.625 0.000) 6.625 26.972 ( 0.000 -2.891 0.000) 2.891 27.018 ( 0.000 6.996 0.000) 6.996 27.126 ( 0.000 -8.978 0.000) 8.978 27.379 ( 0.000 -8.871 0.000) 8.871 27.393 ( 0.000 7.202 0.000) 7.202 27.462 ( 0.000 -0.957 0.000) 0.957 27.506 ( 0.000 0.829 0.000) 0.829 27.734 ( 0.000 -4.006 0.000) 4.006 27.878 ( 0.000 1.005 0.000) 1.005 27.930 ( 0.000 2.655 0.000) 2.655 27.974 ( 0.000 4.361 0.000) 4.361 28.000 ( 0.000 2.363 0.000) 2.363 28.431 ( 0.000 -8.318 0.000) 8.318 28.451 ( 0.000 3.739 0.000) 3.739 28.464 ( 0.000 0.059 0.000) 0.059 28.501 ( 0.000 6.852 0.000) 6.852 28.688 ( 0.000 -6.217 0.000) 6.217 28.692 ( 0.000 -1.072 0.000) 1.072 28.777 ( 0.000 -3.131 0.000) 3.131 28.913 ( 0.000 -1.660 0.000) 1.660 29.050 ( 0.000 2.324 0.000) 2.324 29.241 ( 0.000 -6.746 0.000) 6.746 29.545 ( 0.000 4.020 0.000) 4.020 29.633 ( 0.000 0.134 0.000) 0.134 29.813 ( 0.000 5.415 0.000) 5.415 29.818 ( 0.000 6.874 0.000) 6.874 30.203 ( 0.000 3.197 0.000) 3.197 30.304 ( 0.000 3.196 0.000) 3.196 30.649 ( 0.000 1.817 0.000) 1.817 30.708 ( 0.000 -0.799 0.000) 0.799 30.754 ( 0.000 -1.413 0.000) 1.413 30.922 ( 0.000 -4.660 0.000) 4.660 30.976 ( 0.000 9.116 0.000) 9.116 31.437 ( 0.000 -11.369 0.000) 11.369 32.737 ( 0.000 0.486 0.000) 0.486 32.906 ( 0.000 -6.803 0.000) 6.803 33.187 ( 0.000 6.901 0.000) 6.901 33.437 ( 0.000 -5.184 0.000) 5.184 33.605 ( 0.000 2.303 0.000) 2.303 33.628 ( 0.000 1.782 0.000) 1.782 33.859 ( 0.000 1.197 0.000) 1.197 34.069 ( 0.000 -9.482 0.000) 9.482 36.406 ( 0.000 10.402 0.000) 10.402 36.478 ( 0.000 7.993 0.000) 7.993 36.787 ( 0.000 -6.645 0.000) 6.645 37.001 ( 0.000 -14.759 0.000) 14.759 37.108 ( 0.000 1.111 0.000) 1.111 37.148 ( 0.000 -1.158 0.000) 1.158 37.715 ( 0.000 8.356 0.000) 8.356 37.944 ( 0.000 -3.803 0.000) 3.803 38.094 ( 0.000 6.236 0.000) 6.236 38.374 ( 0.000 -7.551 0.000) 7.551 38.538 ( 0.000 1.746 0.000) 1.746 38.662 ( 0.000 -4.117 0.000) 4.117 38.929 ( 0.000 5.593 0.000) 5.593 38.995 ( 0.000 1.680 0.000) 1.680 39.558 ( 0.000 4.119 0.000) 4.119 39.585 ( 0.000 2.915 0.000) 2.915 39.679 ( 0.000 -1.516 0.000) 1.516 39.749 ( 0.000 -4.329 0.000) 4.329 39.800 ( 0.000 -0.956 0.000) 0.956 39.815 ( 0.000 -1.509 0.000) 1.509 40.331 ( 0.000 5.312 0.000) 5.312 40.547 ( 0.000 -4.641 0.000) 4.641 40.608 ( 0.000 4.236 0.000) 4.236 40.866 ( 0.000 -7.050 0.000) 7.050 41.898 ( 0.000 1.448 0.000) 1.448 41.996 ( 0.000 -3.277 0.000) 3.277 42.052 ( 0.000 2.267 0.000) 2.267 42.227 ( 0.000 -5.687 0.000) 5.687 42.342 ( 0.000 6.625 0.000) 6.625 42.416 ( 0.000 4.898 0.000) 4.898 42.568 ( 0.000 -3.851 0.000) 3.851 42.579 ( 0.000 -2.834 0.000) 2.834 83.312 ( 0.000 1.404 0.000) 1.404 83.383 ( 0.000 -1.841 0.000) 1.841 83.436 ( 0.000 0.439 0.000) 0.439 83.446 ( 0.000 -0.071 0.000) 0.071 83.934 ( 0.000 6.232 0.000) 6.232 84.125 ( 0.000 4.629 0.000) 4.629 84.247 ( 0.000 -8.043 0.000) 8.043 84.339 ( 0.000 -5.173 0.000) 5.173 87.513 ( 0.000 5.516 0.000) 5.516 87.748 ( 0.000 -5.337 0.000) 5.337 88.069 ( 0.000 9.597 0.000) 9.597 88.531 ( 0.000 -11.274 0.000) 11.274 88.770 ( 0.000 4.484 0.000) 4.484 88.940 ( 0.000 -3.408 0.000) 3.408 89.123 ( 0.000 3.579 0.000) 3.579 89.320 ( 0.000 -5.993 0.000) 5.993 92.751 ( 0.000 1.176 0.000) 1.176 92.804 ( 0.000 -1.274 0.000) 1.274 93.220 ( 0.000 -0.511 0.000) 0.511 93.230 ( 0.000 -1.451 0.000) 1.451 93.696 ( 0.000 11.153 0.000) 11.153 94.167 ( 0.000 19.170 0.000) 19.170 94.291 ( 0.000 -16.747 0.000) 16.747 95.074 ( 0.000 -23.838 0.000) 23.838 97.091 ( 0.000 12.284 0.000) 12.284 97.092 ( 0.000 13.163 0.000) 13.163 97.543 ( 0.000 -9.012 0.000) 9.012 97.596 ( 0.000 -10.210 0.000) 10.210 97.797 ( 0.000 14.407 0.000) 14.407 98.281 ( 0.000 -8.702 0.000) 8.702 98.489 ( 0.000 0.524 0.000) 0.524 98.510 ( 0.000 -0.486 0.000) 0.486 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 22.856 30.299 0.000) 37.953 2.071 ( 25.838 36.285 0.000) 44.545 2.317 ( 17.958 40.554 0.000) 44.352 2.902 ( 9.009 -24.491 0.000) 26.096 3.107 ( 12.909 16.764 0.000) 21.158 3.321 ( 14.021 -16.151 0.000) 21.388 3.549 ( 1.874 -17.154 0.000) 17.256 3.604 ( -7.693 11.323 0.000) 13.689 3.991 ( -5.675 3.221 0.000) 6.525 3.999 ( 5.431 -11.037 0.000) 12.301 4.085 ( 12.063 7.099 0.000) 13.997 4.230 ( -1.077 -0.178 0.000) 1.092 4.239 ( 4.456 -1.054 0.000) 4.579 4.475 ( -4.141 1.383 0.000) 4.366 4.532 ( 6.127 4.725 0.000) 7.737 4.610 ( 3.510 -9.447 0.000) 10.078 4.664 ( 2.910 0.363 0.000) 2.933 4.750 ( -6.974 -2.330 0.000) 7.353 4.885 ( -8.875 3.439 0.000) 9.518 5.007 ( 3.850 -9.437 0.000) 10.192 5.210 ( 4.696 4.152 0.000) 6.269 5.258 ( 5.322 -1.399 0.000) 5.503 5.339 ( -1.121 -6.729 0.000) 6.822 5.399 ( 0.237 1.657 0.000) 1.674 5.632 ( 19.698 0.707 0.000) 19.711 5.730 ( -24.298 9.617 0.000) 26.132 5.824 ( -6.430 -13.014 0.000) 14.516 6.005 ( 4.290 2.104 0.000) 4.778 6.228 ( -11.250 -8.111 0.000) 13.869 6.401 ( 11.918 -12.087 0.000) 16.974 6.421 ( -12.807 9.433 0.000) 15.906 6.823 ( -6.178 -5.011 0.000) 7.955 6.860 ( -0.764 1.815 0.000) 1.969 6.896 ( 0.052 11.661 0.000) 11.661 6.940 ( 1.076 0.085 0.000) 1.080 7.382 ( -6.645 7.349 0.000) 9.908 7.393 ( 3.651 -8.699 0.000) 9.434 7.550 ( -9.051 -1.423 0.000) 9.163 7.777 ( -0.545 0.657 0.000) 0.854 7.897 ( -4.140 -4.577 0.000) 6.171 8.133 ( -6.363 3.356 0.000) 7.193 8.209 ( -18.766 1.992 0.000) 18.872 8.296 ( 1.569 -4.739 0.000) 4.992 8.345 ( -3.797 -3.671 0.000) 5.281 8.712 ( 7.984 4.543 0.000) 9.186 8.797 ( -2.891 1.850 0.000) 3.432 8.846 ( -2.383 0.500 0.000) 2.435 8.879 ( 2.172 -1.458 0.000) 2.616 9.892 ( -7.294 2.552 0.000) 7.727 10.013 ( -4.161 -0.788 0.000) 4.235 10.129 ( 0.311 2.800 0.000) 2.817 10.359 ( 0.893 -7.208 0.000) 7.263 10.461 ( 11.363 5.570 0.000) 12.655 10.529 ( -0.190 4.023 0.000) 4.028 10.745 ( 4.363 -6.885 0.000) 8.151 10.834 ( 0.982 -8.317 0.000) 8.374 11.156 ( -6.459 3.029 0.000) 7.134 11.298 ( -0.691 -3.220 0.000) 3.294 11.318 ( 3.848 6.548 0.000) 7.595 11.595 ( 4.866 -6.439 0.000) 8.071 11.605 ( -8.028 3.215 0.000) 8.648 11.733 ( -0.904 -1.460 0.000) 1.717 11.809 ( -1.932 6.233 0.000) 6.525 11.886 ( 4.251 -1.070 0.000) 4.384 11.990 ( 4.834 -1.936 0.000) 5.208 12.135 ( 6.831 -9.990 0.000) 12.102 12.301 ( -4.412 -2.299 0.000) 4.975 12.349 ( 3.769 8.014 0.000) 8.856 12.355 ( -6.513 -4.264 0.000) 7.785 12.654 ( 1.692 -7.769 0.000) 7.951 12.740 ( -2.319 2.008 0.000) 3.067 12.900 ( -2.470 -4.977 0.000) 5.556 13.125 ( -1.125 9.452 0.000) 9.519 13.410 ( 3.451 -5.314 0.000) 6.337 13.491 ( -2.431 9.829 0.000) 10.126 13.865 ( -10.324 3.929 0.000) 11.046 13.963 ( -2.313 -13.196 0.000) 13.397 14.027 ( -12.164 -2.317 0.000) 12.383 14.322 ( -8.856 2.328 0.000) 9.157 14.410 ( -4.333 -2.753 0.000) 5.133 14.596 ( 10.317 3.122 0.000) 10.779 14.797 ( -0.862 8.038 0.000) 8.084 14.835 ( 13.723 -6.869 0.000) 15.346 15.042 ( 0.424 -3.174 0.000) 3.202 15.172 ( 4.805 5.550 0.000) 7.341 15.301 ( -2.537 1.849 0.000) 3.140 15.378 ( 0.370 -1.878 0.000) 1.914 15.496 ( 0.360 -4.992 0.000) 5.005 15.673 ( -2.514 4.568 0.000) 5.214 15.713 ( 1.020 5.808 0.000) 5.897 15.726 ( 0.201 1.709 0.000) 1.721 15.853 ( -0.016 2.422 0.000) 2.422 15.944 ( 1.995 -4.981 0.000) 5.366 15.991 ( 2.593 -3.181 0.000) 4.104 16.007 ( 2.328 0.317 0.000) 2.349 16.146 ( -1.213 -4.291 0.000) 4.459 16.891 ( 6.394 3.255 0.000) 7.175 17.004 ( -0.282 -1.357 0.000) 1.386 17.051 ( -0.180 0.187 0.000) 0.260 17.095 ( -0.467 -1.583 0.000) 1.650 17.137 ( 0.377 3.643 0.000) 3.662 17.264 ( 1.805 -2.256 0.000) 2.889 17.318 ( -1.406 3.516 0.000) 3.787 17.376 ( 1.251 1.804 0.000) 2.196 17.528 ( -0.452 2.396 0.000) 2.438 17.656 ( 4.975 -3.332 0.000) 5.988 17.807 ( -1.096 0.781 0.000) 1.346 17.908 ( -2.506 -3.882 0.000) 4.620 17.951 ( 2.194 2.495 0.000) 3.322 17.997 ( -1.914 0.724 0.000) 2.046 18.210 ( -0.719 2.505 0.000) 2.606 18.270 ( -0.871 -0.069 0.000) 0.874 22.194 ( 4.478 1.225 0.000) 4.642 22.258 ( 2.181 -1.604 0.000) 2.707 22.297 ( -0.352 2.636 0.000) 2.659 22.401 ( 0.502 2.573 0.000) 2.622 22.434 ( -0.508 -3.778 0.000) 3.812 22.510 ( 1.471 -2.315 0.000) 2.743 22.556 ( 0.713 2.053 0.000) 2.174 22.621 ( -0.205 -0.512 0.000) 0.551 24.157 ( 1.264 6.152 0.000) 6.280 24.390 ( -0.668 1.096 0.000) 1.284 24.410 ( 0.330 0.226 0.000) 0.400 24.436 ( 1.887 -3.057 0.000) 3.593 24.465 ( 4.804 -3.007 0.000) 5.667 24.628 ( -0.307 -6.932 0.000) 6.939 24.747 ( -8.035 2.849 0.000) 8.526 24.852 ( -3.320 -1.868 0.000) 3.809 25.823 ( 8.370 2.521 0.000) 8.742 25.932 ( 8.319 -1.844 0.000) 8.521 26.222 ( 2.716 1.681 0.000) 3.194 26.393 ( 5.795 -7.703 0.000) 9.640 26.548 ( -2.724 10.494 0.000) 10.842 26.880 ( -2.286 2.031 0.000) 3.058 27.032 ( 4.529 0.246 0.000) 4.535 27.096 ( 7.488 6.655 0.000) 10.018 27.128 ( -1.982 -3.438 0.000) 3.968 27.290 ( -5.630 1.178 0.000) 5.752 27.436 ( -3.253 -2.947 0.000) 4.389 27.468 ( 8.156 -9.281 0.000) 12.356 27.518 ( 1.671 3.539 0.000) 3.914 27.815 ( 5.316 -5.837 0.000) 7.895 27.868 ( 0.693 3.244 0.000) 3.317 27.939 ( -3.678 3.252 0.000) 4.910 27.945 ( 1.118 2.637 0.000) 2.864 27.971 ( -2.204 2.277 0.000) 3.169 28.374 ( -2.817 -0.053 0.000) 2.818 28.418 ( -7.009 5.021 0.000) 8.622 28.457 ( -1.753 5.926 0.000) 6.180 28.537 ( 3.834 -9.083 0.000) 9.859 28.612 ( -6.488 -2.503 0.000) 6.954 28.690 ( -0.665 -4.212 0.000) 4.264 28.808 ( 3.964 1.103 0.000) 4.115 28.967 ( 5.266 -3.748 0.000) 6.463 29.110 ( 5.747 0.688 0.000) 5.788 29.218 ( -2.018 -4.017 0.000) 4.496 29.530 ( -1.597 3.798 0.000) 4.120 29.635 ( -0.302 -1.124 0.000) 1.164 29.701 ( -7.333 7.755 0.000) 10.673 29.841 ( -1.720 1.921 0.000) 2.579 30.213 ( 1.108 5.728 0.000) 5.835 30.338 ( 3.016 4.595 0.000) 5.497 30.490 ( -10.125 7.551 0.000) 12.630 30.734 ( -1.491 -1.895 0.000) 2.411 30.751 ( -0.414 -4.093 0.000) 4.114 30.899 ( -8.144 12.027 0.000) 14.525 30.929 ( 0.600 -5.067 0.000) 5.103 31.388 ( -3.474 -8.816 0.000) 9.476 32.772 ( 3.437 0.914 0.000) 3.556 32.970 ( 6.402 -7.713 0.000) 10.023 33.199 ( 1.351 5.659 0.000) 5.818 33.381 ( -3.844 -2.328 0.000) 4.494 33.533 ( -6.956 2.046 0.000) 7.251 33.582 ( -5.054 1.038 0.000) 5.160 33.804 ( -5.434 1.901 0.000) 5.757 34.036 ( -3.553 -9.612 0.000) 10.247 36.454 ( 5.105 11.248 0.000) 12.352 36.523 ( 4.512 7.678 0.000) 8.906 36.925 ( 9.128 -11.652 0.000) 14.802 37.007 ( 0.225 -12.477 0.000) 12.479 37.136 ( 4.975 0.310 0.000) 4.985 37.201 ( 5.106 -2.356 0.000) 5.624 37.694 ( -2.114 6.846 0.000) 7.164 37.938 ( -1.041 -4.404 0.000) 4.525 38.105 ( 1.311 5.571 0.000) 5.724 38.375 ( 0.175 -7.243 0.000) 7.245 38.488 ( -5.222 1.588 0.000) 5.458 38.585 ( -5.849 -2.757 0.000) 6.466 38.958 ( 2.956 5.752 0.000) 6.467 39.031 ( 3.856 1.712 0.000) 4.219 39.429 ( -6.522 10.290 0.000) 12.183 39.604 ( 2.028 2.803 0.000) 3.460 39.679 ( -3.062 -4.519 0.000) 5.458 39.762 ( 1.365 -4.060 0.000) 4.284 39.824 ( 1.899 0.519 0.000) 1.968 39.978 ( 9.829 -7.359 0.000) 12.279 40.334 ( 1.604 4.792 0.000) 5.053 40.549 ( 0.369 -4.677 0.000) 4.692 40.616 ( 0.698 3.910 0.000) 3.972 40.853 ( -1.408 -6.447 0.000) 6.598 41.874 ( -2.049 1.583 0.000) 2.589 41.985 ( -1.213 -3.851 0.000) 4.038 42.038 ( -1.465 1.701 0.000) 2.245 42.170 ( -5.068 -3.271 0.000) 6.032 42.355 ( 0.778 5.155 0.000) 5.213 42.415 ( -0.113 5.239 0.000) 5.240 42.566 ( 0.012 -3.938 0.000) 3.938 42.588 ( 0.805 -3.084 0.000) 3.188 83.312 ( 0.337 1.803 0.000) 1.834 83.421 ( -1.228 0.935 0.000) 1.543 83.423 ( 3.046 -3.978 0.000) 5.010 83.451 ( 0.238 -0.435 0.000) 0.496 83.960 ( 2.606 5.947 0.000) 6.492 84.144 ( 1.883 3.596 0.000) 4.059 84.262 ( 1.426 -7.846 0.000) 7.974 84.283 ( -4.611 -1.589 0.000) 4.877 87.636 ( 12.309 6.305 0.000) 13.830 87.992 ( 17.455 -12.915 0.000) 21.713 88.074 ( 0.660 9.219 0.000) 9.243 88.522 ( -1.100 -11.087 0.000) 11.141 88.829 ( 6.346 2.134 0.000) 6.695 88.974 ( 3.286 -4.064 0.000) 5.227 89.120 ( -0.309 3.630 0.000) 3.644 89.306 ( -1.458 -5.127 0.000) 5.331 92.782 ( 3.223 1.157 0.000) 3.425 92.834 ( 2.995 -1.209 0.000) 3.230 93.207 ( -1.394 -0.466 0.000) 1.470 93.220 ( -1.210 -1.325 0.000) 1.794 93.950 ( 21.540 -3.864 0.000) 21.884 94.166 ( -0.130 18.090 0.000) 18.090 94.293 ( 1.560 -15.279 0.000) 15.359 95.060 ( -1.559 -24.246 0.000) 24.296 97.117 ( 2.616 13.333 0.000) 13.587 97.121 ( 3.104 12.469 0.000) 12.850 97.584 ( 4.013 -9.193 0.000) 10.030 97.622 ( 2.624 -9.797 0.000) 10.142 97.787 ( -0.891 13.612 0.000) 13.641 98.255 ( -2.687 -8.477 0.000) 8.893 98.358 ( -12.049 5.145 0.000) 13.102 98.460 ( -5.647 -1.669 0.000) 5.888 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 28.176 19.651 0.000) 34.352 2.427 ( 16.390 37.940 0.000) 41.329 2.763 ( 18.200 17.120 0.000) 24.987 3.083 ( 8.630 -18.867 0.000) 20.748 3.447 ( 1.914 -3.681 0.000) 4.149 3.461 ( -10.132 15.919 0.000) 18.870 3.545 ( 26.112 7.522 0.000) 27.174 3.667 ( 12.398 -14.040 0.000) 18.730 3.874 ( -5.335 9.826 0.000) 11.181 4.179 ( -9.671 -1.180 0.000) 9.743 4.182 ( 5.357 7.944 0.000) 9.581 4.281 ( 4.883 5.808 0.000) 7.588 4.320 ( 19.625 -12.698 0.000) 23.374 4.360 ( -0.479 0.168 0.000) 0.508 4.584 ( -3.498 7.761 0.000) 8.513 4.667 ( 5.604 -1.018 0.000) 5.696 4.717 ( 9.100 -9.984 0.000) 13.508 4.836 ( 5.284 -2.454 0.000) 5.826 4.943 ( 11.907 0.046 0.000) 11.907 5.038 ( -11.097 -3.597 0.000) 11.665 5.187 ( 1.373 6.580 0.000) 6.722 5.280 ( 4.079 2.221 0.000) 4.644 5.377 ( 5.806 -1.061 0.000) 5.902 5.400 ( -0.496 2.977 0.000) 3.018 5.523 ( 1.612 -6.235 0.000) 6.440 5.733 ( -2.716 -12.004 0.000) 12.307 5.856 ( 3.801 -9.508 0.000) 10.239 5.881 ( -18.892 -16.568 0.000) 25.127 6.181 ( 13.547 10.764 0.000) 17.303 6.213 ( -11.123 10.224 0.000) 15.108 6.585 ( 3.094 -7.985 0.000) 8.563 6.596 ( -14.787 -6.049 0.000) 15.976 6.875 ( 0.525 0.709 0.000) 0.883 6.904 ( -9.869 -2.652 0.000) 10.219 6.964 ( 1.943 12.087 0.000) 12.242 7.179 ( -12.134 3.796 0.000) 12.714 7.269 ( -13.210 0.696 0.000) 13.228 7.426 ( -1.139 -3.842 0.000) 4.007 7.469 ( -24.111 2.263 0.000) 24.217 7.618 ( -16.544 -7.519 0.000) 18.173 7.941 ( -5.295 6.211 0.000) 8.161 8.286 ( -1.398 -9.585 0.000) 9.686 8.305 ( 12.027 0.369 0.000) 12.032 8.431 ( 2.940 -3.484 0.000) 4.559 8.724 ( -4.334 4.030 0.000) 5.918 8.797 ( -0.194 3.977 0.000) 3.981 8.853 ( 3.796 0.041 0.000) 3.796 8.864 ( 1.684 1.105 0.000) 2.015 9.782 ( -2.302 1.246 0.000) 2.617 9.943 ( -1.618 -4.090 0.000) 4.398 10.155 ( 1.378 2.583 0.000) 2.928 10.372 ( -2.151 -6.196 0.000) 6.559 10.506 ( -2.137 6.856 0.000) 7.182 10.592 ( 1.199 -1.383 0.000) 1.831 10.693 ( -9.102 -3.986 0.000) 9.937 10.838 ( -1.203 -9.178 0.000) 9.256 11.133 ( 6.441 6.817 0.000) 9.378 11.344 ( -1.467 5.501 0.000) 5.693 11.365 ( 6.082 -2.855 0.000) 6.719 11.487 ( -2.073 3.160 0.000) 3.779 11.618 ( -2.596 -6.353 0.000) 6.862 11.715 ( -0.045 -3.594 0.000) 3.595 11.837 ( 3.755 8.255 0.000) 9.069 12.007 ( 7.797 1.228 0.000) 7.893 12.015 ( -3.821 -0.751 0.000) 3.894 12.219 ( -6.573 -2.498 0.000) 7.031 12.239 ( 3.770 -8.869 0.000) 9.638 12.254 ( 0.316 -3.912 0.000) 3.925 12.411 ( 2.428 7.538 0.000) 7.920 12.672 ( -4.985 0.820 0.000) 5.052 12.693 ( 2.232 -7.257 0.000) 7.592 12.810 ( -5.568 -5.657 0.000) 7.937 13.156 ( 3.948 8.772 0.000) 9.620 13.426 ( -4.282 9.532 0.000) 10.450 13.516 ( 7.741 -8.124 0.000) 11.222 13.716 ( -4.697 3.090 0.000) 5.622 13.867 ( -3.383 -3.461 0.000) 4.839 13.896 ( -4.591 -13.223 0.000) 13.997 14.112 ( -12.676 3.568 0.000) 13.169 14.272 ( -9.869 -4.941 0.000) 11.037 14.794 ( 9.422 4.503 0.000) 10.443 14.830 ( 4.145 8.209 0.000) 9.197 15.029 ( 5.564 -5.421 0.000) 7.768 15.051 ( 0.162 -2.491 0.000) 2.496 15.252 ( 3.518 3.530 0.000) 4.984 15.261 ( -0.300 3.471 0.000) 3.484 15.383 ( 0.184 -2.231 0.000) 2.239 15.488 ( -1.589 -3.402 0.000) 3.755 15.624 ( -2.153 5.757 0.000) 6.147 15.703 ( -2.113 5.908 0.000) 6.275 15.736 ( 1.028 2.707 0.000) 2.896 15.842 ( -1.508 3.881 0.000) 4.163 15.994 ( 3.111 -5.700 0.000) 6.493 16.053 ( 3.591 -3.720 0.000) 5.171 16.061 ( 2.915 -2.784 0.000) 4.031 16.121 ( -1.253 -4.738 0.000) 4.901 17.000 ( 1.942 1.479 0.000) 2.441 17.015 ( 3.571 0.855 0.000) 3.672 17.046 ( -0.433 1.148 0.000) 1.227 17.087 ( -0.353 -0.854 0.000) 0.924 17.160 ( 1.908 5.004 0.000) 5.356 17.289 ( -1.732 4.992 0.000) 5.284 17.340 ( 6.968 -2.242 0.000) 7.320 17.393 ( 0.607 1.790 0.000) 1.890 17.493 ( -2.818 4.069 0.000) 4.949 17.723 ( 0.831 -5.690 0.000) 5.751 17.777 ( -2.022 -0.154 0.000) 2.028 17.831 ( -5.771 -3.291 0.000) 6.644 17.978 ( 2.979 3.115 0.000) 4.311 18.042 ( 4.950 0.039 0.000) 4.950 18.188 ( -1.792 2.080 0.000) 2.745 18.247 ( -1.500 -0.803 0.000) 1.702 22.286 ( 3.772 0.261 0.000) 3.781 22.294 ( 0.142 2.527 0.000) 2.531 22.306 ( 3.145 -0.321 0.000) 3.161 22.425 ( 2.363 2.577 0.000) 3.496 22.428 ( -0.270 -3.675 0.000) 3.685 22.546 ( 2.241 -2.785 0.000) 3.574 22.565 ( -0.098 1.580 0.000) 1.583 22.617 ( -0.301 -0.400 0.000) 0.501 24.198 ( 3.277 5.965 0.000) 6.806 24.383 ( -0.059 1.750 0.000) 1.751 24.410 ( -0.375 1.327 0.000) 1.379 24.482 ( 3.066 -3.987 0.000) 5.030 24.540 ( 2.316 -5.689 0.000) 6.143 24.584 ( -8.339 4.253 0.000) 9.361 24.619 ( -0.638 -6.759 0.000) 6.789 24.760 ( -5.799 -3.713 0.000) 6.885 26.020 ( 11.676 2.577 0.000) 11.957 26.134 ( 12.610 -2.534 0.000) 12.862 26.319 ( 7.287 4.274 0.000) 8.448 26.482 ( -4.272 9.148 0.000) 10.096 26.538 ( 9.549 -6.614 0.000) 11.616 26.803 ( -6.470 -2.277 0.000) 6.859 26.960 ( -12.821 5.166 0.000) 13.822 27.074 ( -2.247 0.423 0.000) 2.286 27.250 ( 7.705 5.968 0.000) 9.746 27.323 ( 6.181 -2.672 0.000) 6.734 27.399 ( 1.319 -2.443 0.000) 2.776 27.567 ( 3.823 2.541 0.000) 4.591 27.621 ( 6.497 -7.753 0.000) 10.115 27.833 ( -0.311 -2.440 0.000) 2.460 27.859 ( -4.266 3.200 0.000) 5.333 27.929 ( -2.441 -0.017 0.000) 2.441 27.948 ( 2.582 -1.973 0.000) 3.249 27.992 ( 5.923 3.054 0.000) 6.664 28.259 ( -8.377 3.547 0.000) 9.097 28.337 ( -10.516 2.728 0.000) 10.864 28.338 ( -0.961 2.805 0.000) 2.965 28.509 ( -4.367 1.085 0.000) 4.499 28.587 ( 1.988 -10.348 0.000) 10.537 28.679 ( -0.628 -5.431 0.000) 5.467 28.928 ( 7.989 3.291 0.000) 8.640 29.091 ( 7.412 -5.054 0.000) 8.971 29.170 ( -1.672 0.810 0.000) 1.858 29.242 ( 6.267 -2.983 0.000) 6.941 29.486 ( -2.928 3.767 0.000) 4.771 29.560 ( -7.134 7.463 0.000) 10.324 29.608 ( -2.582 -2.358 0.000) 3.497 29.761 ( -6.253 -2.083 0.000) 6.591 30.252 ( 3.209 10.492 0.000) 10.972 30.337 ( -5.402 12.551 0.000) 13.664 30.378 ( 0.265 9.927 0.000) 9.930 30.681 ( -9.362 16.453 0.000) 18.931 30.727 ( 1.113 -4.969 0.000) 5.092 30.747 ( -3.201 -5.145 0.000) 6.059 30.946 ( 1.733 -6.747 0.000) 6.966 31.314 ( -5.323 -10.784 0.000) 12.026 32.865 ( 6.508 2.378 0.000) 6.929 33.095 ( 5.239 -7.149 0.000) 8.863 33.248 ( 4.171 3.807 0.000) 5.647 33.369 ( -9.909 1.898 0.000) 10.089 33.376 ( 4.902 -2.584 0.000) 5.542 33.449 ( -8.469 -0.699 0.000) 8.497 33.674 ( -8.038 3.180 0.000) 8.645 33.932 ( -7.508 -9.711 0.000) 12.275 36.586 ( 8.359 11.468 0.000) 14.191 36.634 ( 6.897 6.450 0.000) 9.442 36.977 ( -1.911 -4.688 0.000) 5.062 36.989 ( -2.513 -5.855 0.000) 6.371 37.319 ( 6.957 -4.263 0.000) 8.159 37.338 ( 13.546 -7.816 0.000) 15.639 37.640 ( -3.601 2.739 0.000) 4.524 37.889 ( -4.431 -5.373 0.000) 6.965 38.146 ( 3.023 3.476 0.000) 4.607 38.372 ( -5.909 1.723 0.000) 6.155 38.382 ( 0.602 -6.468 0.000) 6.496 38.495 ( -3.856 -3.233 0.000) 5.032 39.034 ( 4.948 6.283 0.000) 7.998 39.136 ( 7.118 1.141 0.000) 7.208 39.331 ( -4.685 10.320 0.000) 11.334 39.587 ( -6.376 -4.012 0.000) 7.533 39.660 ( 3.921 2.571 0.000) 4.689 39.801 ( 2.750 -3.294 0.000) 4.291 39.851 ( 0.409 2.248 0.000) 2.285 40.035 ( -2.619 -4.213 0.000) 4.961 40.428 ( 7.055 -0.315 0.000) 7.062 40.572 ( 2.335 -4.378 0.000) 4.962 40.627 ( 0.163 2.902 0.000) 2.906 40.810 ( -3.247 -4.999 0.000) 5.961 41.842 ( -0.860 1.448 0.000) 1.684 41.957 ( -1.370 -4.402 0.000) 4.610 41.995 ( -3.151 0.577 0.000) 3.203 42.064 ( -5.631 -2.066 0.000) 5.998 42.366 ( 0.531 5.226 0.000) 5.252 42.411 ( -0.417 5.653 0.000) 5.668 42.573 ( 0.706 -4.218 0.000) 4.277 42.601 ( 0.437 -3.578 0.000) 3.604 83.325 ( 0.914 2.365 0.000) 2.535 83.394 ( -1.558 1.731 0.000) 2.329 83.455 ( 0.293 -1.068 0.000) 1.108 83.466 ( 1.280 -4.696 0.000) 4.868 84.023 ( 3.773 5.158 0.000) 6.391 84.186 ( 1.043 1.438 0.000) 1.777 84.208 ( -1.661 1.061 0.000) 1.971 84.289 ( 1.023 -7.020 0.000) 7.095 87.922 ( 16.515 5.978 0.000) 17.563 88.097 ( 1.812 8.135 0.000) 8.334 88.196 ( 4.181 -6.086 0.000) 7.383 88.486 ( -2.885 -9.471 0.000) 9.901 88.971 ( 6.858 -3.051 0.000) 7.506 89.052 ( 4.764 -5.079 0.000) 6.964 89.111 ( -0.656 3.033 0.000) 3.103 89.267 ( -2.613 -3.541 0.000) 4.401 92.867 ( 5.590 1.036 0.000) 5.685 92.910 ( 4.934 -0.904 0.000) 5.017 93.166 ( -2.987 -0.328 0.000) 3.005 93.180 ( -3.063 -0.899 0.000) 3.192 94.162 ( -0.198 14.997 0.000) 14.999 94.170 ( 1.211 -4.316 0.000) 4.483 94.505 ( 18.637 -26.267 0.000) 32.207 95.016 ( -3.056 -25.617 0.000) 25.798 97.186 ( 4.431 13.783 0.000) 14.478 97.199 ( 4.746 12.762 0.000) 13.616 97.674 ( 4.853 -8.609 0.000) 9.882 97.676 ( 1.980 -3.667 0.000) 4.167 97.785 ( 1.865 6.450 0.000) 6.714 98.106 ( -12.859 9.331 0.000) 15.888 98.185 ( -4.430 -7.694 0.000) 8.878 98.316 ( -9.085 -3.061 0.000) 9.587 ======================= Grid point 17 (12/48) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 19.676 10.856 0.000) 22.472 2.746 ( 16.805 27.927 0.000) 32.594 2.946 ( 2.142 10.095 0.000) 10.320 3.104 ( -12.337 7.978 0.000) 14.692 3.283 ( -1.374 4.106 0.000) 4.329 3.338 ( -6.299 -7.221 0.000) 9.583 3.764 ( 4.228 -8.032 0.000) 9.077 3.823 ( -1.264 7.352 0.000) 7.460 3.994 ( -5.298 4.676 0.000) 7.066 4.008 ( 0.920 14.632 0.000) 14.661 4.325 ( 4.544 -1.154 0.000) 4.689 4.417 ( 19.217 15.394 0.000) 24.622 4.453 ( -4.852 1.011 0.000) 4.956 4.466 ( 4.528 5.319 0.000) 6.985 4.564 ( 4.604 -3.655 0.000) 5.879 4.787 ( -2.093 2.481 0.000) 3.246 4.890 ( 5.379 -8.977 0.000) 10.465 4.893 ( 6.885 -10.288 0.000) 12.380 4.995 ( 7.526 -5.014 0.000) 9.043 5.077 ( -1.298 -7.446 0.000) 7.558 5.377 ( 0.610 6.438 0.000) 6.467 5.400 ( 3.021 1.119 0.000) 3.222 5.454 ( 15.506 1.667 0.000) 15.595 5.474 ( 13.842 0.166 0.000) 13.843 5.605 ( 4.634 -7.836 0.000) 9.104 5.680 ( -4.362 -8.378 0.000) 9.445 5.704 ( 5.760 -9.391 0.000) 11.016 5.927 ( 5.460 -10.660 0.000) 11.977 6.027 ( -5.290 2.008 0.000) 5.659 6.193 ( -24.028 2.942 0.000) 24.208 6.256 ( -19.371 -7.899 0.000) 20.920 6.286 ( -26.291 -1.365 0.000) 26.326 6.645 ( 4.942 8.635 0.000) 9.949 6.899 ( -13.711 8.561 0.000) 16.164 6.969 ( 7.574 -3.343 0.000) 8.279 7.094 ( -8.161 7.583 0.000) 11.140 7.163 ( 5.926 0.354 0.000) 5.936 7.256 ( 7.036 -0.997 0.000) 7.106 7.319 ( -11.991 -2.428 0.000) 12.234 7.397 ( -6.047 -6.180 0.000) 8.647 8.007 ( 10.289 5.560 0.000) 11.695 8.256 ( -13.908 3.335 0.000) 14.303 8.315 ( 4.741 -9.438 0.000) 10.562 8.420 ( -3.364 -7.000 0.000) 7.766 8.689 ( 1.109 5.535 0.000) 5.645 8.747 ( -4.046 4.635 0.000) 6.153 8.940 ( 3.987 -4.836 0.000) 6.268 8.952 ( 3.577 -4.265 0.000) 5.566 9.878 ( 12.269 1.578 0.000) 12.371 9.995 ( 7.415 -3.019 0.000) 8.006 10.124 ( -7.328 3.199 0.000) 7.996 10.191 ( -13.973 -1.771 0.000) 14.084 10.463 ( -1.693 5.252 0.000) 5.519 10.494 ( -6.568 -0.802 0.000) 6.617 10.669 ( 5.565 -8.820 0.000) 10.428 10.777 ( -5.065 -9.808 0.000) 11.039 11.289 ( 4.140 10.698 0.000) 11.471 11.308 ( -1.224 8.088 0.000) 8.180 11.392 ( 4.174 1.966 0.000) 4.614 11.524 ( -6.728 -1.906 0.000) 6.992 11.633 ( 11.999 -3.163 0.000) 12.409 11.754 ( 4.579 -3.963 0.000) 6.056 11.830 ( -6.785 0.510 0.000) 6.804 11.883 ( -8.427 -1.415 0.000) 8.545 12.152 ( 6.846 0.011 0.000) 6.846 12.183 ( 3.117 1.578 0.000) 3.494 12.251 ( -1.974 -2.036 0.000) 2.836 12.261 ( -1.761 -3.104 0.000) 3.568 12.455 ( 3.286 4.912 0.000) 5.910 12.554 ( -6.780 1.719 0.000) 6.995 12.727 ( 1.237 -7.895 0.000) 7.992 12.746 ( -1.354 -8.433 0.000) 8.541 13.245 ( 5.045 9.008 0.000) 10.324 13.338 ( -4.893 9.213 0.000) 10.432 13.675 ( 8.059 -10.945 0.000) 13.592 13.716 ( 4.874 4.157 0.000) 6.406 13.800 ( -5.589 -12.771 0.000) 13.940 13.878 ( -11.414 4.471 0.000) 12.258 13.893 ( 5.875 -5.015 0.000) 7.725 14.066 ( -11.243 -5.477 0.000) 12.506 14.929 ( 5.785 5.676 0.000) 8.104 14.939 ( 6.091 3.228 0.000) 6.893 15.027 ( -3.035 0.451 0.000) 3.068 15.028 ( -3.976 1.307 0.000) 4.186 15.311 ( 2.698 1.197 0.000) 2.952 15.312 ( 3.702 1.217 0.000) 3.897 15.382 ( 0.098 -2.879 0.000) 2.881 15.433 ( -3.981 -2.823 0.000) 4.881 15.610 ( 0.842 5.999 0.000) 6.058 15.650 ( -2.993 5.951 0.000) 6.661 15.765 ( 1.875 3.339 0.000) 3.829 15.803 ( -2.227 3.472 0.000) 4.125 16.046 ( 2.256 -5.168 0.000) 5.639 16.079 ( -1.186 -4.982 0.000) 5.121 16.109 ( 1.981 -4.250 0.000) 4.689 16.119 ( 0.767 -4.192 0.000) 4.262 17.019 ( 0.931 2.581 0.000) 2.744 17.035 ( -0.734 2.232 0.000) 2.350 17.067 ( 1.417 -0.349 0.000) 1.459 17.081 ( -0.340 -0.337 0.000) 0.478 17.207 ( 2.759 6.970 0.000) 7.496 17.253 ( -2.110 6.451 0.000) 6.788 17.404 ( 0.891 1.934 0.000) 2.129 17.435 ( -2.267 1.525 0.000) 2.732 17.514 ( 9.827 -0.544 0.000) 9.842 17.694 ( -8.699 -2.594 0.000) 9.078 17.719 ( -0.036 -4.674 0.000) 4.674 17.738 ( -1.886 -2.208 0.000) 2.904 18.061 ( 4.758 2.740 0.000) 5.491 18.137 ( 4.713 -1.038 0.000) 4.826 18.139 ( -3.449 2.264 0.000) 4.126 18.209 ( -2.807 -1.272 0.000) 3.082 22.302 ( 0.600 2.327 0.000) 2.403 22.310 ( -0.046 1.622 0.000) 1.623 22.374 ( 3.014 -1.375 0.000) 3.312 22.414 ( -1.353 -2.745 0.000) 3.060 22.489 ( 3.776 1.890 0.000) 4.223 22.546 ( -2.039 1.445 0.000) 2.499 22.585 ( 1.716 -2.388 0.000) 2.941 22.608 ( -0.735 -1.180 0.000) 1.390 24.283 ( 5.766 5.428 0.000) 7.919 24.388 ( 0.610 2.183 0.000) 2.266 24.393 ( -2.380 2.667 0.000) 3.575 24.423 ( -6.391 3.898 0.000) 7.486 24.553 ( 4.470 -4.612 0.000) 6.422 24.583 ( 1.371 -5.780 0.000) 5.940 24.605 ( -0.879 -6.511 0.000) 6.570 24.650 ( -5.635 -4.730 0.000) 7.357 26.230 ( 10.008 3.327 0.000) 10.546 26.384 ( -6.444 6.390 0.000) 9.075 26.386 ( 13.692 -3.542 0.000) 14.142 26.488 ( 10.610 7.081 0.000) 12.756 26.630 ( -11.683 -4.467 0.000) 12.508 26.711 ( -12.929 7.594 0.000) 14.995 26.742 ( 11.629 -4.705 0.000) 12.545 26.950 ( -9.779 -2.691 0.000) 10.143 27.358 ( 3.477 4.931 0.000) 6.034 27.383 ( 0.604 2.414 0.000) 2.488 27.536 ( 10.287 -0.708 0.000) 10.311 27.661 ( 5.638 1.168 0.000) 5.758 27.670 ( -1.963 -3.468 0.000) 3.985 27.773 ( -5.869 2.993 0.000) 6.589 27.835 ( 0.599 -1.231 0.000) 1.369 27.867 ( -3.298 -0.858 0.000) 3.408 28.000 ( 4.403 -1.202 0.000) 4.564 28.104 ( 4.544 -2.141 0.000) 5.023 28.134 ( -9.495 0.099 0.000) 9.495 28.157 ( -2.713 -2.085 0.000) 3.422 28.343 ( 1.959 4.637 0.000) 5.034 28.417 ( -5.181 4.185 0.000) 6.660 28.625 ( 2.026 -9.231 0.000) 9.450 28.659 ( -1.520 -7.775 0.000) 7.922 29.070 ( 6.068 3.111 0.000) 6.819 29.139 ( -1.877 3.208 0.000) 3.717 29.226 ( 6.395 -4.273 0.000) 7.691 29.310 ( -1.171 -4.168 0.000) 4.330 29.451 ( 0.182 2.508 0.000) 2.515 29.463 ( -2.427 5.187 0.000) 5.726 29.559 ( -0.859 -1.464 0.000) 1.697 29.631 ( -6.805 -2.889 0.000) 7.393 30.296 ( 0.797 14.640 0.000) 14.661 30.331 ( 1.878 11.080 0.000) 11.238 30.353 ( 1.328 18.187 0.000) 18.236 30.491 ( -9.370 18.668 0.000) 20.888 30.736 ( 0.720 -6.745 0.000) 6.783 30.748 ( 0.113 -6.147 0.000) 6.148 31.025 ( 6.910 -10.813 0.000) 12.832 31.180 ( -8.516 -12.678 0.000) 15.273 33.009 ( 8.559 2.698 0.000) 8.974 33.173 ( 4.513 -3.441 0.000) 5.675 33.181 ( -9.710 2.159 0.000) 9.948 33.290 ( -7.810 -1.980 0.000) 8.057 33.357 ( 7.352 3.384 0.000) 8.093 33.513 ( -8.788 3.632 0.000) 9.509 33.547 ( 11.409 -7.113 0.000) 13.445 33.760 ( -10.635 -9.146 0.000) 14.026 36.745 ( 7.834 8.842 0.000) 11.813 36.764 ( 6.211 4.350 0.000) 7.582 36.907 ( -4.756 -0.179 0.000) 4.759 36.910 ( -5.399 1.861 0.000) 5.710 37.448 ( 6.499 -4.063 0.000) 7.665 37.558 ( -5.161 -1.581 0.000) 5.397 37.579 ( 11.706 -8.071 0.000) 14.219 37.769 ( -8.331 -6.670 0.000) 10.672 38.210 ( 3.618 1.635 0.000) 3.971 38.281 ( -4.034 1.243 0.000) 4.221 38.400 ( 1.345 -5.497 0.000) 5.659 38.435 ( -2.488 -4.442 0.000) 5.091 39.136 ( 5.652 7.210 0.000) 9.161 39.239 ( -5.204 8.627 0.000) 10.075 39.287 ( 8.593 -0.534 0.000) 8.610 39.448 ( -8.226 -2.549 0.000) 8.612 39.745 ( 4.850 2.456 0.000) 5.437 39.826 ( -3.145 2.565 0.000) 4.058 39.865 ( 4.083 -2.321 0.000) 4.696 39.952 ( -5.045 -2.009 0.000) 5.430 40.546 ( 4.983 -0.695 0.000) 5.031 40.611 ( -2.023 1.188 0.000) 2.346 40.640 ( 4.648 -3.679 0.000) 5.928 40.732 ( -4.816 -3.746 0.000) 6.102 41.854 ( 2.248 0.950 0.000) 2.441 41.921 ( -4.380 0.454 0.000) 4.404 41.947 ( 0.472 -4.017 0.000) 4.045 41.980 ( -3.082 -2.852 0.000) 4.199 42.380 ( 0.941 5.624 0.000) 5.702 42.398 ( -0.904 5.765 0.000) 5.835 42.589 ( 0.869 -4.276 0.000) 4.364 42.602 ( -0.375 -4.026 0.000) 4.043 83.344 ( 1.066 2.669 0.000) 2.874 83.366 ( -1.352 2.412 0.000) 2.765 83.463 ( 0.586 -2.044 0.000) 2.126 83.473 ( -0.309 -3.435 0.000) 3.449 84.090 ( 3.250 4.080 0.000) 5.216 84.144 ( -2.629 2.989 0.000) 3.981 84.251 ( 2.807 -2.417 0.000) 3.705 84.289 ( -1.070 -5.211 0.000) 5.320 88.142 ( 2.836 6.152 0.000) 6.774 88.177 ( 3.483 2.576 0.000) 4.332 88.234 ( 7.371 1.204 0.000) 7.469 88.401 ( -6.661 -4.880 0.000) 8.258 89.056 ( 2.702 -2.293 0.000) 3.544 89.092 ( -1.420 0.748 0.000) 1.605 89.141 ( 4.346 -4.447 0.000) 6.218 89.211 ( -3.268 -3.107 0.000) 4.509 92.982 ( 6.301 0.652 0.000) 6.335 93.010 ( 5.418 -0.567 0.000) 5.447 93.091 ( -5.050 0.006 0.000) 5.050 93.106 ( -4.669 -0.448 0.000) 4.690 94.160 ( 0.024 10.162 0.000) 10.162 94.165 ( -0.544 3.645 0.000) 3.686 94.791 ( 11.051 -30.104 0.000) 32.068 94.939 ( -5.471 -28.014 0.000) 28.543 97.265 ( 3.155 14.061 0.000) 14.411 97.274 ( 2.373 13.359 0.000) 13.568 97.687 ( 0.590 5.435 0.000) 5.467 97.719 ( -1.183 -0.237 0.000) 1.207 97.871 ( 5.686 -4.260 0.000) 7.104 97.943 ( -3.635 1.269 0.000) 3.850 98.107 ( -2.774 -5.679 0.000) 6.320 98.150 ( -7.362 -3.803 0.000) 8.286 ======================= Grid point 21 (13/48) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.000 -33.318 0.000) 33.318 2.205 ( 0.000 33.318 0.000) 33.318 2.489 ( 0.000 -33.859 0.000) 33.859 2.489 ( 0.000 33.859 0.000) 33.859 3.000 ( 0.000 -33.442 0.000) 33.442 3.000 ( 0.000 33.442 0.000) 33.442 3.581 ( 0.000 -22.020 0.000) 22.020 3.581 ( 0.000 22.020 0.000) 22.020 3.980 ( 0.000 -3.889 0.000) 3.889 3.980 ( 0.000 3.889 0.000) 3.889 4.062 ( 0.000 -1.815 0.000) 1.815 4.062 ( 0.000 1.815 0.000) 1.815 4.345 ( 0.000 -8.400 0.000) 8.400 4.345 ( 0.000 8.400 0.000) 8.400 4.483 ( 0.000 -0.055 0.000) 0.055 4.483 ( 0.000 0.055 0.000) 0.055 4.679 ( 0.000 -13.400 0.000) 13.400 4.679 ( 0.000 13.400 0.000) 13.400 5.058 ( 0.000 -6.099 0.000) 6.099 5.058 ( 0.000 6.099 0.000) 6.099 5.235 ( 0.000 -2.982 0.000) 2.982 5.235 ( 0.000 2.982 0.000) 2.982 5.302 ( 0.000 -5.460 0.000) 5.460 5.302 ( 0.000 5.460 0.000) 5.460 5.584 ( 0.000 -17.478 0.000) 17.478 5.584 ( 0.000 17.478 0.000) 17.478 6.036 ( 0.000 -7.537 0.000) 7.537 6.036 ( 0.000 7.537 0.000) 7.537 6.245 ( 0.000 -4.463 0.000) 4.463 6.245 ( 0.000 4.463 0.000) 4.463 6.754 ( 0.000 -2.572 0.000) 2.572 6.754 ( 0.000 2.572 0.000) 2.572 6.934 ( 0.000 -1.759 0.000) 1.759 6.934 ( 0.000 1.759 0.000) 1.759 7.070 ( 0.000 -4.383 0.000) 4.383 7.070 ( 0.000 4.383 0.000) 4.383 7.549 ( 0.000 -3.247 0.000) 3.247 7.549 ( 0.000 3.247 0.000) 3.247 7.781 ( 0.000 -4.104 0.000) 4.104 7.781 ( 0.000 4.104 0.000) 4.104 8.342 ( 0.000 -1.492 0.000) 1.492 8.342 ( 0.000 1.492 0.000) 1.492 8.409 ( 0.000 -2.206 0.000) 2.206 8.409 ( 0.000 2.206 0.000) 2.206 8.687 ( 0.000 -3.244 0.000) 3.244 8.687 ( 0.000 3.244 0.000) 3.244 8.848 ( 0.000 -0.706 0.000) 0.706 8.848 ( 0.000 0.706 0.000) 0.706 10.054 ( 0.000 -1.593 0.000) 1.593 10.054 ( 0.000 1.593 0.000) 1.593 10.251 ( 0.000 -5.692 0.000) 5.692 10.251 ( 0.000 5.692 0.000) 5.692 10.467 ( 0.000 -9.766 0.000) 9.766 10.467 ( 0.000 9.766 0.000) 9.766 10.634 ( 0.000 -8.753 0.000) 8.753 10.634 ( 0.000 8.753 0.000) 8.753 11.286 ( 0.000 -1.471 0.000) 1.471 11.286 ( 0.000 1.471 0.000) 1.471 11.423 ( 0.000 -6.492 0.000) 6.492 11.423 ( 0.000 6.492 0.000) 6.492 11.759 ( 0.000 -3.269 0.000) 3.269 11.759 ( 0.000 3.269 0.000) 3.269 11.845 ( 0.000 -8.378 0.000) 8.378 11.845 ( 0.000 8.378 0.000) 8.378 11.900 ( 0.000 -1.168 0.000) 1.168 11.900 ( 0.000 1.168 0.000) 1.168 12.352 ( 0.000 -1.992 0.000) 1.992 12.352 ( 0.000 1.992 0.000) 1.992 12.475 ( 0.000 -8.215 0.000) 8.215 12.475 ( 0.000 8.215 0.000) 8.215 12.825 ( 0.000 -4.009 0.000) 4.009 12.825 ( 0.000 4.009 0.000) 4.009 13.291 ( 0.000 -5.494 0.000) 5.494 13.291 ( 0.000 5.494 0.000) 5.494 13.730 ( 0.000 -11.935 0.000) 11.935 13.730 ( 0.000 11.935 0.000) 11.935 14.134 ( 0.000 -3.967 0.000) 3.967 14.134 ( 0.000 3.967 0.000) 3.967 14.434 ( 0.000 -0.084 0.000) 0.084 14.434 ( 0.000 0.084 0.000) 0.084 14.511 ( 0.000 -1.583 0.000) 1.583 14.511 ( 0.000 1.583 0.000) 1.583 14.938 ( 0.000 -5.886 0.000) 5.886 14.938 ( 0.000 5.886 0.000) 5.886 15.310 ( 0.000 -10.826 0.000) 10.826 15.310 ( 0.000 10.826 0.000) 10.826 15.348 ( 0.000 -1.086 0.000) 1.086 15.348 ( 0.000 1.086 0.000) 1.086 15.741 ( 0.000 -0.234 0.000) 0.234 15.741 ( 0.000 0.234 0.000) 0.234 15.796 ( 0.000 -4.727 0.000) 4.727 15.796 ( 0.000 4.727 0.000) 4.727 15.917 ( 0.000 -1.827 0.000) 1.827 15.917 ( 0.000 1.827 0.000) 1.827 16.064 ( 0.000 -5.127 0.000) 5.127 16.064 ( 0.000 5.127 0.000) 5.127 16.922 ( 0.000 -4.972 0.000) 4.972 16.922 ( 0.000 4.972 0.000) 4.972 17.066 ( 0.000 -1.345 0.000) 1.345 17.066 ( 0.000 1.345 0.000) 1.345 17.201 ( 0.000 -2.676 0.000) 2.676 17.201 ( 0.000 2.676 0.000) 2.676 17.371 ( 0.000 -0.154 0.000) 0.154 17.371 ( 0.000 0.154 0.000) 0.154 17.563 ( 0.000 -2.346 0.000) 2.346 17.563 ( 0.000 2.346 0.000) 2.346 17.857 ( 0.000 -2.996 0.000) 2.996 17.857 ( 0.000 2.996 0.000) 2.996 17.994 ( 0.000 -2.703 0.000) 2.703 17.994 ( 0.000 2.703 0.000) 2.703 18.264 ( 0.000 -1.646 0.000) 1.646 18.264 ( 0.000 1.646 0.000) 1.646 22.189 ( 0.000 -2.280 0.000) 2.280 22.189 ( 0.000 2.280 0.000) 2.280 22.365 ( 0.000 -3.607 0.000) 3.607 22.365 ( 0.000 3.607 0.000) 3.607 22.449 ( 0.000 -2.579 0.000) 2.579 22.449 ( 0.000 2.579 0.000) 2.579 22.594 ( 0.000 -2.082 0.000) 2.082 22.594 ( 0.000 2.082 0.000) 2.082 24.280 ( 0.000 -6.992 0.000) 6.992 24.280 ( 0.000 6.992 0.000) 6.992 24.403 ( 0.000 -0.215 0.000) 0.215 24.403 ( 0.000 0.215 0.000) 0.215 24.502 ( 0.000 -5.794 0.000) 5.794 24.502 ( 0.000 5.794 0.000) 5.794 24.866 ( 0.000 -0.166 0.000) 0.166 24.866 ( 0.000 0.166 0.000) 0.166 25.799 ( 0.000 -3.266 0.000) 3.266 25.799 ( 0.000 3.266 0.000) 3.266 26.229 ( 0.000 -2.656 0.000) 2.656 26.229 ( 0.000 2.656 0.000) 2.656 26.817 ( 0.000 -12.088 0.000) 12.088 26.817 ( 0.000 12.088 0.000) 12.088 26.999 ( 0.000 -3.795 0.000) 3.795 26.999 ( 0.000 3.795 0.000) 3.795 27.190 ( 0.000 -9.667 0.000) 9.667 27.190 ( 0.000 9.667 0.000) 9.667 27.454 ( 0.000 -0.146 0.000) 0.146 27.454 ( 0.000 0.146 0.000) 0.146 27.621 ( 0.000 -7.677 0.000) 7.677 27.621 ( 0.000 7.677 0.000) 7.677 27.923 ( 0.000 -2.992 0.000) 2.992 27.923 ( 0.000 2.992 0.000) 2.992 28.024 ( 0.000 -0.436 0.000) 0.436 28.024 ( 0.000 0.436 0.000) 0.436 28.382 ( 0.000 -3.744 0.000) 3.744 28.382 ( 0.000 3.744 0.000) 3.744 28.551 ( 0.000 -5.735 0.000) 5.735 28.551 ( 0.000 5.735 0.000) 5.735 28.631 ( 0.000 -4.437 0.000) 4.437 28.631 ( 0.000 4.437 0.000) 4.437 28.840 ( 0.000 -5.447 0.000) 5.447 28.840 ( 0.000 5.447 0.000) 5.447 29.123 ( 0.000 -4.901 0.000) 4.901 29.123 ( 0.000 4.901 0.000) 4.901 29.611 ( 0.000 -2.334 0.000) 2.334 29.611 ( 0.000 2.334 0.000) 2.334 29.880 ( 0.000 -0.637 0.000) 0.637 29.880 ( 0.000 0.637 0.000) 0.637 30.277 ( 0.000 -3.903 0.000) 3.903 30.277 ( 0.000 3.903 0.000) 3.903 30.684 ( 0.000 -1.600 0.000) 1.600 30.684 ( 0.000 1.600 0.000) 1.600 30.815 ( 0.000 -5.655 0.000) 5.655 30.815 ( 0.000 5.655 0.000) 5.655 31.195 ( 0.000 -12.273 0.000) 12.273 31.195 ( 0.000 12.273 0.000) 12.273 32.788 ( 0.000 -4.553 0.000) 4.553 32.788 ( 0.000 4.553 0.000) 4.553 33.321 ( 0.000 -6.384 0.000) 6.384 33.321 ( 0.000 6.384 0.000) 6.384 33.646 ( 0.000 -0.710 0.000) 0.710 33.646 ( 0.000 0.710 0.000) 0.710 33.911 ( 0.000 -5.257 0.000) 5.257 33.911 ( 0.000 5.257 0.000) 5.257 36.616 ( 0.000 -10.095 0.000) 10.095 36.616 ( 0.000 10.095 0.000) 10.095 36.704 ( 0.000 -14.048 0.000) 14.048 36.704 ( 0.000 14.048 0.000) 14.048 37.128 ( 0.000 -0.910 0.000) 0.910 37.128 ( 0.000 0.910 0.000) 0.910 37.856 ( 0.000 -5.541 0.000) 5.541 37.856 ( 0.000 5.541 0.000) 5.541 38.227 ( 0.000 -7.061 0.000) 7.061 38.227 ( 0.000 7.061 0.000) 7.061 38.587 ( 0.000 -3.195 0.000) 3.195 38.587 ( 0.000 3.195 0.000) 3.195 39.000 ( 0.000 -1.473 0.000) 1.473 39.000 ( 0.000 1.473 0.000) 1.473 39.633 ( 0.000 -3.173 0.000) 3.173 39.633 ( 0.000 3.173 0.000) 3.173 39.659 ( 0.000 -4.411 0.000) 4.411 39.659 ( 0.000 4.411 0.000) 4.411 39.793 ( 0.000 -0.458 0.000) 0.458 39.793 ( 0.000 0.458 0.000) 0.458 40.443 ( 0.000 -5.659 0.000) 5.659 40.443 ( 0.000 5.659 0.000) 5.659 40.722 ( 0.000 -6.900 0.000) 6.900 40.722 ( 0.000 6.900 0.000) 6.900 41.937 ( 0.000 -2.532 0.000) 2.532 41.937 ( 0.000 2.532 0.000) 2.532 42.121 ( 0.000 -4.625 0.000) 4.625 42.121 ( 0.000 4.625 0.000) 4.625 42.469 ( 0.000 -5.911 0.000) 5.911 42.469 ( 0.000 5.911 0.000) 5.911 42.508 ( 0.000 -4.194 0.000) 4.194 42.508 ( 0.000 4.194 0.000) 4.194 83.345 ( 0.000 -1.846 0.000) 1.846 83.345 ( 0.000 1.846 0.000) 1.846 83.443 ( 0.000 -0.261 0.000) 0.261 83.443 ( 0.000 0.261 0.000) 0.261 84.080 ( 0.000 -8.235 0.000) 8.235 84.080 ( 0.000 8.235 0.000) 8.235 84.229 ( 0.000 -5.599 0.000) 5.599 84.229 ( 0.000 5.599 0.000) 5.599 87.631 ( 0.000 -6.139 0.000) 6.139 87.631 ( 0.000 6.139 0.000) 6.139 88.290 ( 0.000 -12.217 0.000) 12.217 88.290 ( 0.000 12.217 0.000) 12.217 88.861 ( 0.000 -4.464 0.000) 4.464 88.861 ( 0.000 4.464 0.000) 4.464 89.209 ( 0.000 -5.013 0.000) 5.013 89.209 ( 0.000 5.013 0.000) 5.013 92.777 ( 0.000 -1.391 0.000) 1.391 92.777 ( 0.000 1.391 0.000) 1.391 93.215 ( 0.000 -0.138 0.000) 0.138 93.215 ( 0.000 0.138 0.000) 0.138 93.964 ( 0.000 -15.458 0.000) 15.458 93.964 ( 0.000 15.458 0.000) 15.458 94.596 ( 0.000 -23.435 0.000) 23.435 94.596 ( 0.000 23.435 0.000) 23.435 97.334 ( 0.000 -11.705 0.000) 11.705 97.334 ( 0.000 11.705 0.000) 11.705 97.360 ( 0.000 -13.148 0.000) 13.148 97.360 ( 0.000 13.148 0.000) 13.148 98.069 ( 0.000 -12.418 0.000) 12.418 98.069 ( 0.000 12.418 0.000) 12.418 98.500 ( 0.000 -0.536 0.000) 0.536 98.500 ( 0.000 0.536 0.000) 0.536 ======================= Grid point 23 (14/48) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 14.258 -29.982 0.000) 33.200 2.351 ( 14.258 29.982 0.000) 33.200 2.744 ( 22.270 -31.250 0.000) 38.373 2.744 ( 22.270 31.250 0.000) 38.373 3.049 ( 5.779 -30.428 0.000) 30.972 3.049 ( 5.779 30.428 0.000) 30.972 3.632 ( 6.961 -22.221 0.000) 23.286 3.632 ( 6.961 22.221 0.000) 23.286 3.851 ( -5.424 -12.269 0.000) 13.414 3.851 ( -5.424 12.269 0.000) 13.414 4.229 ( 7.794 -4.592 0.000) 9.046 4.229 ( 7.794 4.592 0.000) 9.046 4.359 ( 2.133 -10.299 0.000) 10.517 4.359 ( 2.133 10.299 0.000) 10.517 4.543 ( 4.766 -6.912 0.000) 8.396 4.543 ( 4.766 6.912 0.000) 8.396 4.761 ( 6.778 -12.736 0.000) 14.427 4.761 ( 6.778 12.736 0.000) 14.427 4.843 ( -12.667 -6.282 0.000) 14.139 4.843 ( -12.667 6.282 0.000) 14.139 5.262 ( 2.923 -1.854 0.000) 3.462 5.262 ( 2.923 1.854 0.000) 3.462 5.373 ( 2.349 -8.812 0.000) 9.120 5.373 ( 2.349 8.812 0.000) 9.120 5.623 ( 3.125 -3.644 0.000) 4.801 5.623 ( 3.125 3.644 0.000) 4.801 5.971 ( -23.666 -13.813 0.000) 27.403 5.971 ( -23.666 13.813 0.000) 27.403 6.161 ( 11.940 -11.372 0.000) 16.489 6.161 ( 11.940 11.372 0.000) 16.489 6.653 ( -8.965 -10.994 0.000) 14.185 6.653 ( -8.965 10.994 0.000) 14.185 6.908 ( -1.928 -2.630 0.000) 3.261 6.908 ( -1.928 2.630 0.000) 3.261 7.163 ( 5.504 -13.460 0.000) 14.542 7.163 ( 5.504 13.460 0.000) 14.542 7.499 ( -6.849 -4.167 0.000) 8.016 7.499 ( -6.849 4.167 0.000) 8.016 7.819 ( -4.329 -3.196 0.000) 5.381 7.819 ( -4.329 3.196 0.000) 5.381 8.207 ( -1.439 -4.119 0.000) 4.363 8.207 ( -1.439 4.119 0.000) 4.363 8.267 ( -12.427 -3.741 0.000) 12.978 8.267 ( -12.427 3.741 0.000) 12.978 8.811 ( 6.543 -4.802 0.000) 8.116 8.811 ( 6.543 4.802 0.000) 8.116 8.835 ( -1.272 -1.552 0.000) 2.007 8.835 ( -1.272 1.552 0.000) 2.007 9.960 ( -7.921 -3.798 0.000) 8.784 9.960 ( -7.921 3.798 0.000) 8.784 10.218 ( -0.658 -6.162 0.000) 6.197 10.218 ( -0.658 6.162 0.000) 6.197 10.597 ( 8.366 -7.589 0.000) 11.295 10.597 ( 8.366 7.589 0.000) 11.295 10.660 ( 1.514 -8.488 0.000) 8.622 10.660 ( 1.514 8.488 0.000) 8.622 11.226 ( -4.048 -3.807 0.000) 5.557 11.226 ( -4.048 3.807 0.000) 5.557 11.462 ( 2.905 -7.225 0.000) 7.787 11.462 ( 2.905 7.225 0.000) 7.787 11.676 ( -4.752 -3.781 0.000) 6.073 11.676 ( -4.752 3.781 0.000) 6.073 11.924 ( 2.689 -4.862 0.000) 5.556 11.924 ( 2.689 4.862 0.000) 5.556 11.954 ( 7.163 -7.262 0.000) 10.200 11.954 ( 7.163 7.262 0.000) 10.200 12.292 ( -5.545 -1.610 0.000) 5.774 12.292 ( -5.545 1.610 0.000) 5.774 12.504 ( 2.672 -7.544 0.000) 8.003 12.504 ( 2.672 7.544 0.000) 8.003 12.803 ( -2.858 -4.278 0.000) 5.144 12.803 ( -2.858 4.278 0.000) 5.144 13.290 ( 0.696 -6.987 0.000) 7.021 13.290 ( 0.696 6.987 0.000) 7.021 13.707 ( -2.441 -12.008 0.000) 12.254 13.707 ( -2.441 12.008 0.000) 12.254 13.952 ( -12.391 -4.572 0.000) 13.208 13.952 ( -12.391 4.572 0.000) 13.208 14.364 ( -7.126 -2.034 0.000) 7.410 14.364 ( -7.126 2.034 0.000) 7.410 14.696 ( 13.177 -6.558 0.000) 14.719 14.696 ( 13.177 6.558 0.000) 14.719 14.940 ( 0.587 -6.311 0.000) 6.338 14.940 ( 0.587 6.311 0.000) 6.338 15.337 ( 2.160 -9.385 0.000) 9.631 15.337 ( 2.160 9.385 0.000) 9.631 15.339 ( -0.724 -1.964 0.000) 2.094 15.339 ( -0.724 1.964 0.000) 2.094 15.739 ( -0.083 -1.073 0.000) 1.076 15.739 ( -0.083 1.073 0.000) 1.076 15.829 ( 2.158 -5.656 0.000) 6.054 15.829 ( 2.158 5.656 0.000) 6.054 15.921 ( 0.964 -3.439 0.000) 3.571 15.921 ( 0.964 3.439 0.000) 3.571 16.054 ( -0.828 -4.265 0.000) 4.345 16.054 ( -0.828 4.265 0.000) 4.345 16.957 ( 3.289 -3.122 0.000) 4.535 16.957 ( 3.289 3.122 0.000) 4.535 17.066 ( 0.036 -1.219 0.000) 1.219 17.066 ( 0.036 1.219 0.000) 1.219 17.208 ( 1.258 -3.312 0.000) 3.543 17.208 ( 1.258 3.312 0.000) 3.543 17.376 ( 0.310 -1.794 0.000) 1.821 17.376 ( 0.310 1.794 0.000) 1.821 17.587 ( 1.810 -3.393 0.000) 3.846 17.587 ( 1.810 3.393 0.000) 3.846 17.841 ( -1.814 -2.660 0.000) 3.220 17.841 ( -1.814 2.660 0.000) 3.220 17.991 ( 0.273 -1.318 0.000) 1.346 17.991 ( 0.273 1.318 0.000) 1.346 18.253 ( -1.129 -1.596 0.000) 1.955 18.253 ( -1.129 1.596 0.000) 1.955 22.224 ( 3.381 -1.691 0.000) 3.781 22.224 ( 3.381 1.691 0.000) 3.781 22.359 ( -0.441 -3.542 0.000) 3.569 22.359 ( -0.441 3.542 0.000) 3.569 22.457 ( 0.881 -2.859 0.000) 2.992 22.457 ( 0.881 2.859 0.000) 2.992 22.597 ( 0.199 -1.806 0.000) 1.817 22.597 ( 0.199 1.806 0.000) 1.817 24.290 ( 1.110 -6.858 0.000) 6.947 24.290 ( 1.110 6.858 0.000) 6.947 24.425 ( 1.831 -1.298 0.000) 2.244 24.425 ( 1.831 1.298 0.000) 2.244 24.501 ( -0.075 -5.604 0.000) 5.604 24.501 ( -0.075 5.604 0.000) 5.604 24.805 ( -5.858 -2.766 0.000) 6.478 24.805 ( -5.858 2.766 0.000) 6.478 25.883 ( 8.224 -3.064 0.000) 8.776 25.883 ( 8.224 3.064 0.000) 8.776 26.273 ( 4.899 -4.082 0.000) 6.377 26.273 ( 4.899 4.082 0.000) 6.377 26.773 ( -3.997 -10.768 0.000) 11.486 26.773 ( -3.997 10.768 0.000) 11.486 27.054 ( 4.272 -2.193 0.000) 4.802 27.054 ( 4.272 2.193 0.000) 4.802 27.269 ( 7.502 -10.013 0.000) 12.512 27.269 ( 7.502 10.013 0.000) 12.512 27.368 ( -6.438 -4.029 0.000) 7.595 27.368 ( -6.438 4.029 0.000) 7.595 27.653 ( 1.949 -8.897 0.000) 9.108 27.653 ( 1.949 8.897 0.000) 9.108 27.947 ( 2.335 -3.269 0.000) 4.017 27.947 ( 2.335 3.269 0.000) 4.017 27.985 ( -3.588 -0.978 0.000) 3.719 27.985 ( -3.588 0.978 0.000) 3.719 28.393 ( 1.063 -4.387 0.000) 4.514 28.393 ( 1.063 4.387 0.000) 4.514 28.523 ( -6.596 -5.435 0.000) 8.547 28.523 ( -6.596 5.435 0.000) 8.547 28.587 ( -1.026 -6.196 0.000) 6.281 28.587 ( -1.026 6.196 0.000) 6.281 28.884 ( 4.634 -4.996 0.000) 6.814 28.884 ( 4.634 4.996 0.000) 6.814 29.146 ( 2.231 -2.906 0.000) 3.664 29.146 ( 2.231 2.906 0.000) 3.664 29.597 ( -1.506 -2.722 0.000) 3.110 29.597 ( -1.506 2.722 0.000) 3.110 29.821 ( -5.811 -3.857 0.000) 6.975 29.821 ( -5.811 3.857 0.000) 6.975 30.320 ( 4.214 -4.603 0.000) 6.241 30.320 ( 4.214 4.603 0.000) 6.241 30.633 ( -4.378 -6.759 0.000) 8.053 30.633 ( -4.378 6.759 0.000) 8.053 30.805 ( -1.056 -6.770 0.000) 6.852 30.805 ( -1.056 6.770 0.000) 6.852 31.161 ( -3.990 -13.058 0.000) 13.654 31.161 ( -3.990 13.058 0.000) 13.654 32.834 ( 4.821 -5.307 0.000) 7.170 32.834 ( 4.821 5.307 0.000) 7.170 33.306 ( -0.890 -4.856 0.000) 4.937 33.306 ( -0.890 4.856 0.000) 4.937 33.579 ( -6.718 -1.663 0.000) 6.920 33.579 ( -6.718 1.663 0.000) 6.920 33.873 ( -3.975 -5.914 0.000) 7.126 33.873 ( -3.975 5.914 0.000) 7.126 36.690 ( 6.743 -12.018 0.000) 13.780 36.690 ( 6.743 12.018 0.000) 13.780 36.737 ( 3.252 -13.216 0.000) 13.610 36.737 ( 3.252 13.216 0.000) 13.610 37.160 ( 3.551 -1.726 0.000) 3.949 37.160 ( 3.551 1.726 0.000) 3.949 37.832 ( -2.633 -6.304 0.000) 6.832 37.832 ( -2.633 6.304 0.000) 6.832 38.233 ( 0.638 -6.924 0.000) 6.954 38.233 ( 0.638 6.924 0.000) 6.954 38.530 ( -5.199 -2.551 0.000) 5.791 38.530 ( -5.199 2.551 0.000) 5.791 39.033 ( 3.459 -1.740 0.000) 3.872 39.033 ( 3.459 1.740 0.000) 3.872 39.581 ( -4.267 -5.635 0.000) 7.069 39.581 ( -4.267 5.635 0.000) 7.069 39.676 ( 1.810 -4.273 0.000) 4.641 39.676 ( 1.810 4.273 0.000) 4.641 39.867 ( 5.423 -3.911 0.000) 6.686 39.867 ( 5.423 3.911 0.000) 6.686 40.444 ( 0.448 -5.719 0.000) 5.737 40.444 ( 0.448 5.719 0.000) 5.737 40.721 ( -0.216 -6.364 0.000) 6.368 40.721 ( -0.216 6.364 0.000) 6.368 41.918 ( -1.821 -2.813 0.000) 3.351 41.918 ( -1.821 2.813 0.000) 3.351 42.093 ( -2.849 -3.685 0.000) 4.658 42.093 ( -2.849 3.685 0.000) 4.658 42.469 ( 0.057 -5.651 0.000) 5.652 42.469 ( 0.057 5.651 0.000) 5.652 42.513 ( 0.351 -4.438 0.000) 4.452 42.513 ( 0.351 4.438 0.000) 4.452 83.358 ( 1.243 -2.755 0.000) 3.022 83.358 ( 1.243 2.755 0.000) 3.022 83.439 ( -0.429 -0.760 0.000) 0.873 83.439 ( -0.429 0.760 0.000) 0.873 84.100 ( 1.980 -7.958 0.000) 8.200 84.100 ( 1.980 7.958 0.000) 8.200 84.222 ( -0.677 -3.924 0.000) 3.982 84.222 ( -0.677 3.924 0.000) 3.982 87.784 ( 14.078 -8.612 0.000) 16.503 87.784 ( 14.078 8.612 0.000) 16.503 88.287 ( -0.250 -11.774 0.000) 11.777 88.287 ( -0.250 11.774 0.000) 11.777 88.894 ( 3.251 -3.895 0.000) 5.074 88.894 ( 3.251 3.895 0.000) 5.074 89.205 ( -0.474 -4.819 0.000) 4.842 89.205 ( -0.474 4.819 0.000) 4.842 92.808 ( 3.149 -1.352 0.000) 3.427 92.808 ( 3.149 1.352 0.000) 3.427 93.204 ( -1.212 -0.278 0.000) 1.244 93.204 ( -1.212 0.278 0.000) 1.244 94.033 ( 6.862 -10.016 0.000) 12.141 94.033 ( 6.862 10.016 0.000) 12.141 94.580 ( -1.677 -23.089 0.000) 23.150 94.580 ( -1.677 23.089 0.000) 23.150 97.369 ( 3.582 -12.011 0.000) 12.534 97.369 ( 3.582 12.011 0.000) 12.534 97.387 ( 2.858 -13.200 0.000) 13.506 97.387 ( 2.858 13.200 0.000) 13.506 98.049 ( -2.022 -12.028 0.000) 12.197 98.049 ( -2.022 12.028 0.000) 12.197 98.424 ( -7.663 -2.210 0.000) 7.976 98.424 ( -7.663 2.210 0.000) 7.976 ======================= Grid point 25 (15/48) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 17.613 -21.857 0.000) 28.071 2.669 ( 17.613 21.857 0.000) 28.071 3.028 ( 6.323 -13.381 0.000) 14.799 3.028 ( 6.323 13.381 0.000) 14.799 3.250 ( 11.892 -14.980 0.000) 19.127 3.250 ( 11.892 14.980 0.000) 19.127 3.776 ( -4.429 -14.471 0.000) 15.134 3.776 ( -4.429 14.471 0.000) 15.134 3.966 ( 29.447 -20.289 0.000) 35.760 3.966 ( 29.447 20.289 0.000) 35.760 4.292 ( -2.316 -7.356 0.000) 7.712 4.292 ( -2.316 7.356 0.000) 7.712 4.422 ( 3.694 -13.459 0.000) 13.956 4.422 ( 3.694 13.459 0.000) 13.956 4.495 ( -1.287 -13.221 0.000) 13.283 4.495 ( -1.287 13.221 0.000) 13.283 4.845 ( 0.334 -12.415 0.000) 12.420 4.845 ( 0.334 12.415 0.000) 12.420 4.869 ( 8.631 -4.787 0.000) 9.869 4.869 ( 8.631 4.787 0.000) 9.869 5.343 ( 5.670 -4.000 0.000) 6.939 5.343 ( 5.670 4.000 0.000) 6.939 5.411 ( 3.309 -9.433 0.000) 9.997 5.411 ( 3.309 9.433 0.000) 9.997 5.563 ( -15.035 -11.871 0.000) 19.156 5.563 ( -15.035 11.871 0.000) 19.156 5.650 ( -0.254 -8.979 0.000) 8.983 5.650 ( -0.254 8.979 0.000) 8.983 6.400 ( 10.319 -10.485 0.000) 14.711 6.400 ( 10.319 10.485 0.000) 14.711 6.425 ( -15.335 -10.390 0.000) 18.523 6.425 ( -15.335 10.390 0.000) 18.523 6.878 ( -3.783 -0.575 0.000) 3.826 6.878 ( -3.783 0.575 0.000) 3.826 7.224 ( 0.363 -13.171 0.000) 13.176 7.224 ( 0.363 13.171 0.000) 13.176 7.246 ( -15.485 -2.683 0.000) 15.716 7.246 ( -15.485 2.683 0.000) 15.716 7.534 ( -18.857 -3.296 0.000) 19.143 7.534 ( -18.857 3.296 0.000) 19.143 8.097 ( -3.197 -9.050 0.000) 9.598 8.097 ( -3.197 9.050 0.000) 9.598 8.353 ( 7.470 -3.803 0.000) 8.382 8.353 ( 7.470 3.803 0.000) 8.382 8.810 ( -0.904 -3.941 0.000) 4.044 8.810 ( -0.904 3.941 0.000) 4.044 8.857 ( -0.466 -1.772 0.000) 1.832 8.857 ( -0.466 1.772 0.000) 1.832 9.846 ( -2.133 -4.735 0.000) 5.193 9.846 ( -2.133 4.735 0.000) 5.193 10.240 ( 1.626 -5.976 0.000) 6.194 10.240 ( 1.626 5.976 0.000) 6.194 10.617 ( -6.570 -3.150 0.000) 7.286 10.617 ( -6.570 3.150 0.000) 7.286 10.658 ( -1.874 -8.511 0.000) 8.715 10.658 ( -1.874 8.511 0.000) 8.715 11.264 ( 8.808 -6.100 0.000) 10.714 11.264 ( 8.808 6.100 0.000) 10.714 11.482 ( -0.937 -7.351 0.000) 7.410 11.482 ( -0.937 7.351 0.000) 7.410 11.607 ( -2.220 -6.836 0.000) 7.187 11.607 ( -2.220 6.836 0.000) 7.187 11.972 ( -0.494 -4.464 0.000) 4.492 11.972 ( -0.494 4.464 0.000) 4.492 12.080 ( 6.196 -6.183 0.000) 8.754 12.080 ( 6.196 6.183 0.000) 8.754 12.198 ( -2.110 -1.096 0.000) 2.378 12.198 ( -2.110 1.096 0.000) 2.378 12.555 ( 2.275 -6.935 0.000) 7.298 12.555 ( 2.275 6.935 0.000) 7.298 12.710 ( -6.355 -3.583 0.000) 7.295 12.710 ( -6.355 3.583 0.000) 7.295 13.343 ( 4.965 -9.276 0.000) 10.521 13.343 ( 4.965 9.276 0.000) 10.521 13.640 ( -4.457 -12.004 0.000) 12.805 13.640 ( -4.457 12.004 0.000) 12.805 13.787 ( -4.300 -4.090 0.000) 5.934 13.787 ( -4.300 4.090 0.000) 5.934 14.186 ( -11.280 -3.878 0.000) 11.928 14.186 ( -11.280 3.878 0.000) 11.928 14.906 ( 8.427 -6.353 0.000) 10.553 14.906 ( 8.427 6.353 0.000) 10.553 14.969 ( 2.409 -5.628 0.000) 6.122 14.969 ( 2.409 5.628 0.000) 6.122 15.330 ( -0.107 -3.171 0.000) 3.173 15.330 ( -0.107 3.171 0.000) 3.173 15.364 ( 0.374 -6.981 0.000) 6.991 15.364 ( 0.374 6.981 0.000) 6.991 15.739 ( 0.123 -3.313 0.000) 3.315 15.739 ( 0.123 3.313 0.000) 3.315 15.828 ( -1.963 -6.011 0.000) 6.323 15.828 ( -1.963 6.011 0.000) 6.323 15.969 ( 3.448 -3.997 0.000) 5.279 15.969 ( 3.448 3.997 0.000) 5.279 16.044 ( -0.085 -1.866 0.000) 1.868 16.044 ( -0.085 1.866 0.000) 1.868 17.019 ( 2.644 -0.462 0.000) 2.684 17.019 ( 2.644 0.462 0.000) 2.684 17.068 ( 0.127 -1.026 0.000) 1.034 17.068 ( 0.127 1.026 0.000) 1.034 17.264 ( 4.634 -4.875 0.000) 6.726 17.264 ( 4.634 4.875 0.000) 6.726 17.378 ( -0.097 -3.209 0.000) 3.211 17.378 ( -0.097 3.209 0.000) 3.211 17.601 ( -0.388 -6.196 0.000) 6.208 17.601 ( -0.388 6.196 0.000) 6.208 17.786 ( -4.134 -1.236 0.000) 4.315 17.786 ( -4.134 1.236 0.000) 4.315 18.027 ( 3.613 -1.633 0.000) 3.964 18.027 ( 3.613 1.633 0.000) 3.964 18.224 ( -1.901 -1.493 0.000) 2.417 18.224 ( -1.901 1.493 0.000) 2.417 22.295 ( 3.609 -0.578 0.000) 3.655 22.295 ( 3.609 0.578 0.000) 3.655 22.355 ( 0.016 -3.486 0.000) 3.486 22.355 ( 0.016 3.486 0.000) 3.486 22.485 ( 2.127 -3.234 0.000) 3.871 22.485 ( 2.127 3.234 0.000) 3.871 22.597 ( -0.375 -1.478 0.000) 1.525 22.597 ( -0.375 1.478 0.000) 1.525 24.325 ( 2.700 -6.243 0.000) 6.802 24.325 ( 2.700 6.243 0.000) 6.802 24.454 ( 0.922 -3.151 0.000) 3.283 24.454 ( 0.922 3.151 0.000) 3.283 24.500 ( 0.010 -4.814 0.000) 4.814 24.500 ( 0.010 4.814 0.000) 4.814 24.675 ( -7.300 -4.656 0.000) 8.658 24.675 ( -7.300 4.656 0.000) 8.658 26.078 ( 11.844 -3.045 0.000) 12.229 26.078 ( 11.844 3.045 0.000) 12.229 26.414 ( 9.860 -5.510 0.000) 11.295 26.414 ( 9.860 5.510 0.000) 11.295 26.674 ( -6.711 -9.224 0.000) 11.407 26.674 ( -6.711 9.224 0.000) 11.407 27.046 ( -7.177 -3.086 0.000) 7.813 27.046 ( -7.177 3.086 0.000) 7.813 27.341 ( 5.385 -3.094 0.000) 6.210 27.341 ( 5.385 3.094 0.000) 6.210 27.422 ( 7.466 -10.462 0.000) 12.853 27.422 ( 7.466 10.462 0.000) 12.853 27.682 ( 1.440 -8.480 0.000) 8.601 27.682 ( 1.440 8.480 0.000) 8.601 27.912 ( -3.907 -1.884 0.000) 4.338 27.912 ( -3.907 1.884 0.000) 4.338 27.998 ( 2.794 -3.000 0.000) 4.099 27.998 ( 2.794 3.000 0.000) 4.099 28.335 ( -11.439 -3.146 0.000) 11.864 28.335 ( -11.439 3.146 0.000) 11.864 28.418 ( 1.678 -6.253 0.000) 6.474 28.418 ( 1.678 6.253 0.000) 6.474 28.573 ( -1.699 -5.318 0.000) 5.583 28.573 ( -1.699 5.318 0.000) 5.583 29.004 ( 7.577 -4.237 0.000) 8.681 29.004 ( 7.577 4.237 0.000) 8.681 29.194 ( 2.417 -1.740 0.000) 2.978 29.194 ( 2.417 1.740 0.000) 2.978 29.555 ( -2.746 -3.077 0.000) 4.124 29.555 ( -2.746 3.077 0.000) 4.124 29.688 ( -7.637 -5.203 0.000) 9.241 29.688 ( -7.637 5.203 0.000) 9.241 30.420 ( 6.015 -5.777 0.000) 8.340 30.420 ( 6.015 5.777 0.000) 8.340 30.564 ( -2.248 -10.201 0.000) 10.446 30.564 ( -2.248 10.201 0.000) 10.446 30.778 ( -1.585 -8.905 0.000) 9.045 30.778 ( -1.585 8.905 0.000) 9.045 31.041 ( -8.419 -16.214 0.000) 18.269 31.041 ( -8.419 16.214 0.000) 18.269 32.953 ( 7.107 -6.273 0.000) 9.479 32.953 ( 7.107 6.273 0.000) 9.479 33.320 ( 3.147 -3.225 0.000) 4.507 33.320 ( 3.147 3.225 0.000) 4.507 33.418 ( -9.697 -2.460 0.000) 10.004 33.418 ( -9.697 2.460 0.000) 10.004 33.765 ( -7.377 -6.495 0.000) 9.828 33.765 ( -7.377 6.495 0.000) 9.828 36.808 ( 3.856 -10.334 0.000) 11.030 36.808 ( 3.856 10.334 0.000) 11.030 36.816 ( 5.444 -10.818 0.000) 12.110 36.816 ( 5.444 10.818 0.000) 12.110 37.268 ( 7.955 -0.670 0.000) 7.983 37.268 ( 7.955 0.670 0.000) 7.983 37.754 ( -5.661 -7.276 0.000) 9.219 37.754 ( -5.661 7.276 0.000) 9.219 38.252 ( 1.492 -6.309 0.000) 6.483 38.252 ( 1.492 6.309 0.000) 6.483 38.427 ( -5.213 -3.352 0.000) 6.198 38.427 ( -5.213 3.352 0.000) 6.198 39.123 ( 5.870 -2.599 0.000) 6.420 39.123 ( 5.870 2.599 0.000) 6.420 39.488 ( -5.624 -6.029 0.000) 8.245 39.488 ( -5.624 6.029 0.000) 8.245 39.727 ( 3.588 -3.856 0.000) 5.267 39.727 ( 3.588 3.856 0.000) 5.267 39.931 ( 0.571 -5.315 0.000) 5.345 39.931 ( 0.571 5.315 0.000) 5.345 40.480 ( 3.653 -4.405 0.000) 5.723 40.480 ( 3.653 4.405 0.000) 5.723 40.707 ( -1.491 -4.947 0.000) 5.167 40.707 ( -1.491 4.947 0.000) 5.167 41.885 ( -1.251 -2.879 0.000) 3.140 41.885 ( -1.251 2.879 0.000) 3.140 42.021 ( -4.503 -1.967 0.000) 4.914 42.021 ( -4.503 1.967 0.000) 4.914 42.475 ( 0.617 -5.465 0.000) 5.500 42.475 ( 0.617 5.465 0.000) 5.500 42.516 ( -0.066 -4.873 0.000) 4.874 42.516 ( -0.066 4.873 0.000) 4.874 83.384 ( 1.370 -3.555 0.000) 3.810 83.384 ( 1.370 3.555 0.000) 3.810 83.428 ( -0.623 -1.588 0.000) 1.706 83.428 ( -0.623 1.588 0.000) 1.706 84.145 ( 2.481 -6.985 0.000) 7.412 84.145 ( 2.481 6.985 0.000) 7.412 84.209 ( -0.590 -0.803 0.000) 0.997 84.209 ( -0.590 0.803 0.000) 0.997 88.057 ( 12.762 -7.273 0.000) 14.689 88.057 ( 12.762 7.273 0.000) 14.689 88.284 ( -0.130 -10.253 0.000) 10.254 88.284 ( -0.130 10.253 0.000) 10.254 88.971 ( 4.703 -2.634 0.000) 5.391 88.971 ( 4.703 2.634 0.000) 5.391 89.187 ( -1.627 -4.228 0.000) 4.530 89.187 ( -1.627 4.228 0.000) 4.530 92.889 ( 5.311 -1.148 0.000) 5.433 92.889 ( 5.311 1.148 0.000) 5.433 93.167 ( -2.828 -0.388 0.000) 2.855 93.167 ( -2.828 0.388 0.000) 2.855 94.189 ( 8.827 -7.307 0.000) 11.459 94.189 ( 8.827 7.307 0.000) 11.459 94.533 ( -3.286 -22.015 0.000) 22.259 94.533 ( -3.286 22.015 0.000) 22.259 97.457 ( 5.270 -12.530 0.000) 13.593 97.457 ( 5.270 12.530 0.000) 13.593 97.462 ( 4.815 -13.316 0.000) 14.160 97.462 ( 4.815 13.316 0.000) 14.160 98.000 ( -2.808 -10.745 0.000) 11.105 98.000 ( -2.808 10.745 0.000) 11.105 98.241 ( -10.909 -4.814 0.000) 11.924 98.241 ( -10.909 4.814 0.000) 11.924 ======================= Grid point 27 (16/48) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 11.247 -11.924 0.000) 16.391 2.952 ( 11.247 11.924 0.000) 16.391 3.071 ( -1.606 -6.698 0.000) 6.888 3.071 ( -1.606 6.698 0.000) 6.888 3.436 ( 9.689 -20.307 0.000) 22.500 3.436 ( 9.689 20.307 0.000) 22.500 3.632 ( -10.381 -18.467 0.000) 21.185 3.632 ( -10.381 18.467 0.000) 21.185 4.254 ( 2.099 -10.387 0.000) 10.597 4.254 ( 2.099 10.387 0.000) 10.597 4.341 ( -2.065 -13.287 0.000) 13.446 4.341 ( -2.065 13.287 0.000) 13.446 4.562 ( 12.384 -3.703 0.000) 12.926 4.562 ( 12.384 3.703 0.000) 12.926 4.588 ( 5.930 -10.832 0.000) 12.349 4.588 ( 5.930 10.832 0.000) 12.349 4.847 ( 5.131 -9.389 0.000) 10.699 4.847 ( 5.131 9.389 0.000) 10.699 4.943 ( -1.252 -6.506 0.000) 6.626 4.943 ( -1.252 6.506 0.000) 6.626 5.422 ( 1.658 -2.637 0.000) 3.115 5.422 ( 1.658 2.637 0.000) 3.115 5.464 ( -0.830 -5.983 0.000) 6.040 5.464 ( -0.830 5.983 0.000) 6.040 5.573 ( 17.085 -3.664 0.000) 17.474 5.573 ( 17.085 3.664 0.000) 17.474 5.700 ( 7.653 -11.036 0.000) 13.430 5.700 ( 7.653 11.036 0.000) 13.430 6.110 ( -15.486 -6.211 0.000) 16.685 6.110 ( -15.486 6.211 0.000) 16.685 6.244 ( -28.026 -2.444 0.000) 28.133 6.244 ( -28.026 2.444 0.000) 28.133 6.829 ( 8.772 -9.087 0.000) 12.630 6.829 ( 8.772 9.087 0.000) 12.630 7.079 ( -14.974 -8.609 0.000) 17.273 7.079 ( -14.974 8.609 0.000) 17.273 7.217 ( 6.767 -3.475 0.000) 7.608 7.217 ( 6.767 3.475 0.000) 7.608 7.319 ( -4.249 -4.661 0.000) 6.307 7.319 ( -4.249 4.661 0.000) 6.307 8.138 ( 6.833 -7.852 0.000) 10.409 8.138 ( 6.833 7.852 0.000) 10.409 8.316 ( -9.555 -3.495 0.000) 10.174 8.316 ( -9.555 3.495 0.000) 10.174 8.818 ( 1.815 -6.877 0.000) 7.113 8.818 ( 1.815 6.877 0.000) 7.113 8.851 ( -0.724 -5.508 0.000) 5.555 8.851 ( -0.724 5.508 0.000) 5.555 9.928 ( 10.733 -3.301 0.000) 11.229 9.928 ( 10.733 3.301 0.000) 11.229 10.169 ( -11.220 -1.217 0.000) 11.286 10.169 ( -11.220 1.217 0.000) 11.286 10.525 ( 0.767 -4.702 0.000) 4.764 10.525 ( 0.767 4.702 0.000) 4.764 10.594 ( -4.518 -8.104 0.000) 9.278 10.594 ( -4.518 8.104 0.000) 9.278 11.423 ( 4.294 -1.445 0.000) 4.530 11.423 ( 4.294 1.445 0.000) 4.530 11.456 ( -1.197 -5.715 0.000) 5.839 11.456 ( -1.197 5.715 0.000) 5.839 11.645 ( 8.206 -5.422 0.000) 9.836 11.645 ( 8.206 5.422 0.000) 9.836 11.848 ( -10.707 -1.653 0.000) 10.833 11.848 ( -10.707 1.653 0.000) 10.833 12.182 ( 4.249 -3.225 0.000) 5.334 12.182 ( 4.249 3.225 0.000) 5.334 12.217 ( 0.928 -1.723 0.000) 1.957 12.217 ( 0.928 1.723 0.000) 1.957 12.581 ( 0.662 -6.946 0.000) 6.978 12.581 ( 0.662 6.946 0.000) 6.978 12.609 ( -3.363 -4.740 0.000) 5.812 12.609 ( -3.363 4.740 0.000) 5.812 13.452 ( 5.760 -11.193 0.000) 12.588 13.452 ( 5.760 11.193 0.000) 12.588 13.550 ( -4.939 -11.880 0.000) 12.866 13.550 ( -4.939 11.880 0.000) 12.866 13.799 ( 5.448 -4.363 0.000) 6.979 13.799 ( 5.448 4.363 0.000) 6.979 13.966 ( -11.292 -4.560 0.000) 12.178 13.966 ( -11.292 4.560 0.000) 12.178 15.007 ( 2.543 -3.013 0.000) 3.942 15.007 ( 2.543 3.013 0.000) 3.942 15.013 ( 1.590 -2.395 0.000) 2.875 15.013 ( 1.590 2.395 0.000) 2.875 15.337 ( 0.788 -1.718 0.000) 1.891 15.337 ( 0.788 1.718 0.000) 1.891 15.355 ( -0.986 -3.528 0.000) 3.663 15.355 ( -0.986 3.528 0.000) 3.663 15.748 ( 1.005 -5.520 0.000) 5.611 15.748 ( 1.005 5.520 0.000) 5.611 15.781 ( -2.451 -5.856 0.000) 6.348 15.781 ( -2.451 5.856 0.000) 6.348 16.024 ( 2.066 -3.336 0.000) 3.924 16.024 ( 2.066 3.336 0.000) 3.924 16.045 ( -0.238 -2.200 0.000) 2.213 16.045 ( -0.238 2.200 0.000) 2.213 17.054 ( 1.224 -1.085 0.000) 1.636 17.054 ( 1.224 1.085 0.000) 1.636 17.067 ( -0.290 -1.114 0.000) 1.151 17.067 ( -0.290 1.114 0.000) 1.151 17.349 ( 3.113 -6.759 0.000) 7.442 17.349 ( 3.113 6.759 0.000) 7.442 17.374 ( -0.338 -4.813 0.000) 4.825 17.374 ( -0.338 4.813 0.000) 4.825 17.607 ( 2.306 -6.217 0.000) 6.631 17.607 ( 2.306 6.217 0.000) 6.631 17.691 ( -5.564 -1.999 0.000) 5.912 17.691 ( -5.564 1.999 0.000) 5.912 18.108 ( 4.396 -1.935 0.000) 4.803 18.108 ( 4.396 1.935 0.000) 4.803 18.179 ( -3.033 -1.726 0.000) 3.490 18.179 ( -3.033 1.726 0.000) 3.490 22.344 ( 1.459 -1.636 0.000) 2.192 22.344 ( 1.459 1.636 0.000) 2.192 22.356 ( -0.090 -2.970 0.000) 2.971 22.356 ( -0.090 2.970 0.000) 2.971 22.534 ( 2.794 -2.589 0.000) 3.809 22.534 ( 2.794 2.589 0.000) 3.809 22.578 ( -1.709 -1.701 0.000) 2.411 22.578 ( -1.709 1.701 0.000) 2.411 24.391 ( 4.072 -4.079 0.000) 5.764 24.391 ( 4.072 4.079 0.000) 5.764 24.451 ( -1.525 -2.840 0.000) 3.224 24.451 ( -1.525 2.840 0.000) 3.224 24.506 ( 0.777 -2.400 0.000) 2.523 24.506 ( 0.777 2.400 0.000) 2.523 24.553 ( -4.952 -4.156 0.000) 6.464 24.553 ( -4.952 4.156 0.000) 6.464 26.307 ( 12.053 -4.132 0.000) 12.741 26.307 ( 12.053 4.132 0.000) 12.741 26.517 ( -9.977 -6.575 0.000) 11.948 26.517 ( -9.977 6.575 0.000) 11.948 26.626 ( 12.190 -6.621 0.000) 13.872 26.626 ( 12.190 6.621 0.000) 13.872 26.855 ( -11.744 -6.456 0.000) 13.401 26.855 ( -11.744 6.456 0.000) 13.401 27.474 ( 6.052 -5.224 0.000) 7.995 27.474 ( 6.052 5.224 0.000) 7.995 27.514 ( 1.781 -9.717 0.000) 9.879 27.514 ( 1.781 9.717 0.000) 9.879 27.727 ( 4.146 -5.875 0.000) 7.191 27.727 ( 4.146 5.875 0.000) 7.191 27.830 ( -5.366 -2.578 0.000) 5.953 27.830 ( -5.366 2.578 0.000) 5.953 28.051 ( 3.105 -3.998 0.000) 5.063 28.051 ( 3.105 3.998 0.000) 5.063 28.144 ( -7.727 -0.891 0.000) 7.778 28.144 ( -7.727 0.891 0.000) 7.778 28.461 ( 2.877 -7.197 0.000) 7.751 28.461 ( 2.877 7.197 0.000) 7.751 28.522 ( -3.350 -6.271 0.000) 7.110 28.522 ( -3.350 6.271 0.000) 7.110 29.143 ( 6.446 -4.134 0.000) 7.658 29.143 ( 6.446 4.134 0.000) 7.658 29.216 ( -0.872 -4.505 0.000) 4.589 29.216 ( -0.872 4.505 0.000) 4.589 29.514 ( -0.615 -3.001 0.000) 3.064 29.514 ( -0.615 3.001 0.000) 3.064 29.560 ( -5.279 -4.337 0.000) 6.832 29.560 ( -5.279 4.337 0.000) 6.832 30.523 ( 3.910 -6.445 0.000) 7.538 30.523 ( 3.910 6.445 0.000) 7.538 30.550 ( 0.080 -10.747 0.000) 10.747 30.550 ( 0.080 10.747 0.000) 10.747 30.769 ( 1.884 -13.061 0.000) 13.196 30.769 ( 1.884 13.061 0.000) 13.196 30.874 ( -8.390 -17.621 0.000) 19.516 30.874 ( -8.390 17.621 0.000) 19.516 33.087 ( 7.306 -4.729 0.000) 8.703 33.087 ( 7.306 4.729 0.000) 8.703 33.238 ( -8.955 -3.116 0.000) 9.481 33.238 ( -8.955 3.116 0.000) 9.481 33.432 ( 8.302 -4.423 0.000) 9.407 33.432 ( 8.302 4.423 0.000) 9.407 33.604 ( -9.349 -6.043 0.000) 11.132 33.604 ( -9.349 6.043 0.000) 11.132 36.867 ( 2.041 -5.079 0.000) 5.474 36.867 ( 2.041 5.079 0.000) 5.474 36.877 ( 1.158 -3.704 0.000) 3.881 36.877 ( 1.158 3.704 0.000) 3.881 37.443 ( 9.936 -4.110 0.000) 10.752 37.443 ( 9.936 4.110 0.000) 10.752 37.620 ( -8.511 -6.831 0.000) 10.913 37.620 ( -8.511 6.831 0.000) 10.913 38.289 ( 2.386 -5.302 0.000) 5.814 38.289 ( 2.386 5.302 0.000) 5.814 38.344 ( -3.583 -4.370 0.000) 5.652 38.344 ( -3.583 4.370 0.000) 5.652 39.245 ( 6.825 -3.785 0.000) 7.804 39.245 ( 6.825 3.785 0.000) 7.804 39.372 ( -6.611 -5.067 0.000) 8.329 39.372 ( -6.611 5.067 0.000) 8.329 39.807 ( 4.754 -3.337 0.000) 5.809 39.807 ( 4.754 3.337 0.000) 5.809 39.893 ( -3.936 -3.675 0.000) 5.385 39.893 ( -3.936 3.675 0.000) 5.385 40.570 ( 5.279 -2.855 0.000) 6.002 40.570 ( 5.279 2.855 0.000) 6.002 40.658 ( -3.779 -3.351 0.000) 5.050 40.658 ( -3.779 3.351 0.000) 5.050 41.885 ( 1.453 -2.231 0.000) 2.663 41.885 ( 1.453 2.231 0.000) 2.663 41.938 ( -3.983 -1.394 0.000) 4.220 41.938 ( -3.983 1.394 0.000) 4.220 42.491 ( 0.995 -5.428 0.000) 5.518 42.491 ( 0.995 5.428 0.000) 5.518 42.508 ( -0.746 -5.232 0.000) 5.285 42.508 ( -0.746 5.232 0.000) 5.285 83.405 ( 0.800 -3.356 0.000) 3.450 83.405 ( 0.800 3.356 0.000) 3.450 83.417 ( -0.575 -2.542 0.000) 2.606 83.417 ( -0.575 2.542 0.000) 2.606 84.184 ( 1.438 -5.179 0.000) 5.375 84.184 ( 1.438 5.179 0.000) 5.375 84.200 ( -0.479 -2.656 0.000) 2.699 84.200 ( -0.479 2.656 0.000) 2.699 88.226 ( 5.285 -1.885 0.000) 5.611 88.226 ( 5.285 1.885 0.000) 5.611 88.277 ( -0.915 -7.006 0.000) 7.065 88.277 ( -0.915 7.006 0.000) 7.065 89.062 ( 4.727 -2.746 0.000) 5.466 89.062 ( 4.727 2.746 0.000) 5.466 89.140 ( -3.410 -3.560 0.000) 4.930 89.140 ( -3.410 3.560 0.000) 4.930 92.996 ( 5.775 -0.760 0.000) 5.825 92.996 ( 5.775 0.760 0.000) 5.825 93.096 ( -4.647 -0.449 0.000) 4.669 93.096 ( -4.647 0.449 0.000) 4.669 94.342 ( 7.164 -15.074 0.000) 16.689 94.342 ( 7.164 15.074 0.000) 16.689 94.456 ( -5.011 -19.785 0.000) 20.410 94.456 ( -5.011 19.785 0.000) 20.410 97.544 ( 3.145 -12.896 0.000) 13.274 97.544 ( 3.145 12.896 0.000) 13.274 97.546 ( 3.041 -13.245 0.000) 13.589 97.546 ( 3.041 13.245 0.000) 13.589 97.968 ( 0.490 -8.047 0.000) 8.062 97.968 ( 0.490 8.047 0.000) 8.062 98.051 ( -8.169 -6.070 0.000) 10.177 98.051 ( -8.169 6.070 0.000) 10.177 ======================= Grid point 49 (17/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.000 0.000 35.997) 35.997 1.074 ( 0.000 0.000 48.607) 48.607 1.449 ( 0.000 0.000 63.680) 63.680 2.544 ( 0.000 0.000 1.727) 1.727 3.100 ( 0.000 0.000 -13.765) 13.765 3.377 ( 0.000 0.000 -5.879) 5.879 3.536 ( 0.000 0.000 -8.850) 8.850 3.601 ( 0.000 0.000 9.752) 9.752 3.779 ( 0.000 0.000 -7.076) 7.076 3.877 ( 0.000 0.000 -17.964) 17.964 4.083 ( 0.000 0.000 15.504) 15.504 4.262 ( 0.000 0.000 -0.346) 0.346 4.289 ( 0.000 0.000 -1.989) 1.989 4.576 ( 0.000 0.000 5.637) 5.637 4.583 ( 0.000 0.000 -5.499) 5.499 4.681 ( 0.000 0.000 4.079) 4.079 4.812 ( 0.000 0.000 -4.690) 4.690 4.844 ( 0.000 0.000 -14.659) 14.659 4.845 ( 0.000 0.000 -1.522) 1.522 4.949 ( 0.000 0.000 -9.773) 9.773 5.128 ( 0.000 0.000 -5.799) 5.799 5.342 ( 0.000 0.000 -6.743) 6.743 5.466 ( 0.000 0.000 14.366) 14.366 5.501 ( 0.000 0.000 10.491) 10.491 5.664 ( 0.000 0.000 11.554) 11.554 5.735 ( 0.000 0.000 6.743) 6.743 5.938 ( 0.000 0.000 5.983) 5.983 6.027 ( 0.000 0.000 -10.984) 10.984 6.183 ( 0.000 0.000 -1.308) 1.308 6.335 ( 0.000 0.000 3.439) 3.439 6.689 ( 0.000 0.000 -1.351) 1.351 6.728 ( 0.000 0.000 -4.034) 4.034 6.793 ( 0.000 0.000 -0.140) 0.140 6.853 ( 0.000 0.000 1.628) 1.628 6.975 ( 0.000 0.000 -9.636) 9.636 7.145 ( 0.000 0.000 -20.804) 20.804 7.216 ( 0.000 0.000 7.887) 7.887 7.398 ( 0.000 0.000 -10.650) 10.650 7.720 ( 0.000 0.000 -27.416) 27.416 8.003 ( 0.000 0.000 6.538) 6.538 8.312 ( 0.000 0.000 -19.166) 19.166 8.355 ( 0.000 0.000 3.091) 3.091 8.534 ( 0.000 0.000 0.249) 0.249 8.539 ( 0.000 0.000 7.693) 7.693 8.591 ( 0.000 0.000 -1.149) 1.149 8.912 ( 0.000 0.000 15.969) 15.969 9.019 ( 0.000 0.000 -3.006) 3.006 9.085 ( 0.000 0.000 15.401) 15.401 9.857 ( 0.000 0.000 1.225) 1.225 9.943 ( 0.000 0.000 -6.570) 6.570 10.020 ( 0.000 0.000 3.847) 3.847 10.266 ( 0.000 0.000 4.957) 4.957 10.524 ( 0.000 0.000 3.918) 3.918 10.705 ( 0.000 0.000 16.596) 16.596 10.822 ( 0.000 0.000 1.749) 1.749 11.006 ( 0.000 0.000 -2.339) 2.339 11.205 ( 0.000 0.000 2.484) 2.484 11.293 ( 0.000 0.000 16.606) 16.606 11.337 ( 0.000 0.000 -3.257) 3.257 11.406 ( 0.000 0.000 -11.590) 11.590 11.702 ( 0.000 0.000 8.484) 8.484 11.820 ( 0.000 0.000 -0.571) 0.571 11.840 ( 0.000 0.000 0.075) 0.075 11.882 ( 0.000 0.000 -2.217) 2.217 12.002 ( 0.000 0.000 4.058) 4.058 12.054 ( 0.000 0.000 -11.054) 11.054 12.319 ( 0.000 0.000 -3.199) 3.199 12.432 ( 0.000 0.000 -9.785) 9.785 12.523 ( 0.000 0.000 6.050) 6.050 12.706 ( 0.000 0.000 -2.200) 2.200 12.914 ( 0.000 0.000 10.538) 10.538 12.933 ( 0.000 0.000 -2.510) 2.510 12.945 ( 0.000 0.000 -6.767) 6.767 13.449 ( 0.000 0.000 18.175) 18.175 13.489 ( 0.000 0.000 2.695) 2.695 13.795 ( 0.000 0.000 -17.034) 17.034 13.861 ( 0.000 0.000 0.072) 0.072 14.307 ( 0.000 0.000 -15.908) 15.908 14.314 ( 0.000 0.000 -0.922) 0.922 14.326 ( 0.000 0.000 1.679) 1.679 14.531 ( 0.000 0.000 -1.902) 1.902 14.825 ( 0.000 0.000 12.584) 12.584 14.964 ( 0.000 0.000 5.040) 5.040 15.002 ( 0.000 0.000 9.772) 9.772 15.328 ( 0.000 0.000 -6.799) 6.799 15.331 ( 0.000 0.000 1.172) 1.172 15.362 ( 0.000 0.000 -3.129) 3.129 15.470 ( 0.000 0.000 0.931) 0.931 15.558 ( 0.000 0.000 -0.709) 0.709 15.745 ( 0.000 0.000 1.792) 1.792 15.787 ( 0.000 0.000 -14.089) 14.089 15.822 ( 0.000 0.000 -1.599) 1.599 16.015 ( 0.000 0.000 3.340) 3.340 16.021 ( 0.000 0.000 -3.266) 3.266 16.031 ( 0.000 0.000 1.951) 1.951 16.093 ( 0.000 0.000 -10.116) 10.116 16.648 ( 0.000 0.000 -4.492) 4.492 16.846 ( 0.000 0.000 -9.580) 9.580 17.017 ( 0.000 0.000 0.604) 0.604 17.161 ( 0.000 0.000 5.799) 5.799 17.276 ( 0.000 0.000 7.584) 7.584 17.277 ( 0.000 0.000 -2.640) 2.640 17.315 ( 0.000 0.000 6.823) 6.823 17.333 ( 0.000 0.000 11.466) 11.466 17.525 ( 0.000 0.000 5.103) 5.103 17.678 ( 0.000 0.000 1.592) 1.592 17.757 ( 0.000 0.000 -5.393) 5.393 17.798 ( 0.000 0.000 -1.327) 1.327 17.994 ( 0.000 0.000 4.312) 4.312 18.030 ( 0.000 0.000 -2.577) 2.577 18.101 ( 0.000 0.000 -1.646) 1.646 18.430 ( 0.000 0.000 -3.813) 3.813 22.104 ( 0.000 0.000 -0.584) 0.584 22.191 ( 0.000 0.000 -3.300) 3.300 22.326 ( 0.000 0.000 1.405) 1.405 22.397 ( 0.000 0.000 3.441) 3.441 22.487 ( 0.000 0.000 -2.735) 2.735 22.497 ( 0.000 0.000 0.383) 0.383 22.577 ( 0.000 0.000 0.968) 0.968 22.596 ( 0.000 0.000 -0.247) 0.247 24.019 ( 0.000 0.000 1.033) 1.033 24.220 ( 0.000 0.000 -5.474) 5.474 24.449 ( 0.000 0.000 1.747) 1.747 24.513 ( 0.000 0.000 6.252) 6.252 24.520 ( 0.000 0.000 -0.851) 0.851 24.811 ( 0.000 0.000 1.327) 1.327 24.819 ( 0.000 0.000 -2.536) 2.536 24.830 ( 0.000 0.000 0.090) 0.090 25.705 ( 0.000 0.000 -0.860) 0.860 25.951 ( 0.000 0.000 -10.758) 10.758 25.951 ( 0.000 0.000 6.833) 6.833 26.515 ( 0.000 0.000 -3.471) 3.471 26.545 ( 0.000 0.000 10.250) 10.250 26.662 ( 0.000 0.000 2.194) 2.194 26.913 ( 0.000 0.000 0.310) 0.310 27.020 ( 0.000 0.000 1.478) 1.478 27.205 ( 0.000 0.000 -5.478) 5.478 27.275 ( 0.000 0.000 -3.851) 3.851 27.446 ( 0.000 0.000 -7.810) 7.810 27.450 ( 0.000 0.000 -4.090) 4.090 27.584 ( 0.000 0.000 1.438) 1.438 27.682 ( 0.000 0.000 -1.070) 1.070 27.818 ( 0.000 0.000 4.570) 4.570 27.872 ( 0.000 0.000 0.089) 0.089 27.915 ( 0.000 0.000 6.242) 6.242 27.956 ( 0.000 0.000 1.511) 1.511 28.021 ( 0.000 0.000 7.690) 7.690 28.512 ( 0.000 0.000 -8.190) 8.190 28.521 ( 0.000 0.000 9.519) 9.519 28.563 ( 0.000 0.000 -2.549) 2.549 28.647 ( 0.000 0.000 8.373) 8.373 28.689 ( 0.000 0.000 1.042) 1.042 28.952 ( 0.000 0.000 7.218) 7.218 28.959 ( 0.000 0.000 -4.288) 4.288 29.069 ( 0.000 0.000 2.504) 2.504 29.092 ( 0.000 0.000 -7.979) 7.979 29.322 ( 0.000 0.000 -9.147) 9.147 29.479 ( 0.000 0.000 -6.496) 6.496 29.609 ( 0.000 0.000 10.152) 10.152 29.663 ( 0.000 0.000 1.598) 1.598 29.936 ( 0.000 0.000 -8.186) 8.186 30.225 ( 0.000 0.000 6.377) 6.377 30.717 ( 0.000 0.000 -15.124) 15.124 30.735 ( 0.000 0.000 -5.494) 5.494 30.746 ( 0.000 0.000 10.646) 10.646 31.057 ( 0.000 0.000 2.166) 2.166 31.336 ( 0.000 0.000 2.580) 2.580 31.492 ( 0.000 0.000 -1.568) 1.568 32.766 ( 0.000 0.000 -2.750) 2.750 32.923 ( 0.000 0.000 -4.432) 4.432 33.158 ( 0.000 0.000 5.707) 5.707 33.343 ( 0.000 0.000 1.967) 1.967 33.658 ( 0.000 0.000 6.058) 6.058 33.659 ( 0.000 0.000 6.437) 6.437 34.202 ( 0.000 0.000 -5.278) 5.278 34.237 ( 0.000 0.000 -6.602) 6.602 36.159 ( 0.000 0.000 0.776) 0.776 36.335 ( 0.000 0.000 -4.124) 4.124 36.934 ( 0.000 0.000 3.011) 3.011 37.145 ( 0.000 0.000 5.327) 5.327 37.180 ( 0.000 0.000 -1.435) 1.435 37.404 ( 0.000 0.000 5.473) 5.473 37.446 ( 0.000 0.000 -2.182) 2.182 37.872 ( 0.000 0.000 -2.094) 2.094 38.123 ( 0.000 0.000 -0.258) 0.258 38.374 ( 0.000 0.000 -8.736) 8.736 38.588 ( 0.000 0.000 2.001) 2.001 38.726 ( 0.000 0.000 -1.912) 1.912 38.775 ( 0.000 0.000 -1.074) 1.074 38.853 ( 0.000 0.000 -4.446) 4.446 38.857 ( 0.000 0.000 10.484) 10.484 39.497 ( 0.000 0.000 -3.172) 3.172 39.646 ( 0.000 0.000 -3.989) 3.989 39.759 ( 0.000 0.000 -5.752) 5.752 39.874 ( 0.000 0.000 2.073) 2.073 39.956 ( 0.000 0.000 -0.552) 0.552 40.295 ( 0.000 0.000 7.406) 7.406 40.678 ( 0.000 0.000 10.103) 10.103 40.727 ( 0.000 0.000 6.466) 6.466 40.978 ( 0.000 0.000 -5.549) 5.549 41.848 ( 0.000 0.000 1.496) 1.496 41.952 ( 0.000 0.000 -5.117) 5.117 42.049 ( 0.000 0.000 -7.923) 7.923 42.165 ( 0.000 0.000 3.739) 3.739 42.307 ( 0.000 0.000 1.023) 1.023 42.462 ( 0.000 0.000 12.433) 12.433 42.537 ( 0.000 0.000 -8.574) 8.574 43.133 ( 0.000 0.000 -4.444) 4.444 83.320 ( 0.000 0.000 3.378) 3.378 83.471 ( 0.000 0.000 4.375) 4.375 83.485 ( 0.000 0.000 4.926) 4.926 83.782 ( 0.000 0.000 -2.331) 2.331 83.861 ( 0.000 0.000 -12.457) 12.457 83.967 ( 0.000 0.000 -5.126) 5.126 84.722 ( 0.000 0.000 19.688) 19.688 86.218 ( 0.000 0.000 -20.150) 20.150 87.613 ( 0.000 0.000 16.507) 16.507 87.888 ( 0.000 0.000 1.710) 1.710 87.907 ( 0.000 0.000 2.877) 2.877 88.666 ( 0.000 0.000 0.806) 0.806 88.667 ( 0.000 0.000 -10.309) 10.309 88.996 ( 0.000 0.000 -4.696) 4.696 89.420 ( 0.000 0.000 1.779) 1.779 89.502 ( 0.000 0.000 0.748) 0.748 92.752 ( 0.000 0.000 2.452) 2.452 92.858 ( 0.000 0.000 2.223) 2.223 93.141 ( 0.000 0.000 -7.343) 7.343 93.202 ( 0.000 0.000 -6.882) 6.882 93.553 ( 0.000 0.000 5.038) 5.038 93.719 ( 0.000 0.000 -0.314) 0.314 94.845 ( 0.000 0.000 16.448) 16.448 96.030 ( 0.000 0.000 -9.583) 9.583 96.772 ( 0.000 0.000 0.034) 0.034 96.776 ( 0.000 0.000 -0.013) 0.013 97.141 ( 0.000 0.000 1.508) 1.508 97.368 ( 0.000 0.000 -3.723) 3.723 97.741 ( 0.000 0.000 0.589) 0.589 97.803 ( 0.000 0.000 -0.708) 0.708 98.456 ( 0.000 0.000 0.032) 0.032 98.472 ( 0.000 0.000 -0.324) 0.324 ======================= Grid point 50 (18/48) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 20.566 0.000 28.023) 34.760 1.303 ( 27.594 0.000 32.962) 42.987 1.978 ( 41.976 0.000 43.908) 60.744 2.616 ( 8.164 0.000 -0.823) 8.205 3.208 ( -9.378 0.000 -7.106) 11.766 3.263 ( 15.673 0.000 -11.719) 19.569 3.596 ( 1.327 0.000 3.472) 3.717 3.702 ( 4.004 0.000 -5.327) 6.664 3.822 ( -3.293 0.000 -12.284) 12.718 3.875 ( 8.616 0.000 -5.854) 10.417 4.140 ( -9.855 0.000 -7.723) 12.521 4.192 ( 6.622 0.000 14.265) 15.727 4.371 ( -0.639 0.000 -3.533) 3.591 4.441 ( -8.951 0.000 -3.954) 9.785 4.552 ( -0.269 0.000 5.201) 5.208 4.554 ( -3.254 0.000 -7.371) 8.057 4.567 ( -7.162 0.000 -0.941) 7.223 4.893 ( 6.573 0.000 3.584) 7.486 5.054 ( 8.480 0.000 -6.721) 10.820 5.119 ( 10.182 0.000 -1.659) 10.316 5.241 ( -5.290 0.000 3.729) 6.472 5.287 ( 0.688 0.000 -1.342) 1.508 5.462 ( -10.692 0.000 6.170) 12.345 5.528 ( 3.239 0.000 4.090) 5.217 5.562 ( 7.784 0.000 3.158) 8.400 5.762 ( 3.227 0.000 1.688) 3.642 6.008 ( 4.579 0.000 4.510) 6.427 6.100 ( 0.352 0.000 -0.278) 0.448 6.160 ( -1.982 0.000 1.877) 2.730 6.332 ( 2.438 0.000 -2.308) 3.358 6.609 ( -8.457 0.000 -1.500) 8.589 6.747 ( -7.122 0.000 -3.596) 7.979 6.789 ( 4.859 0.000 -1.983) 5.248 6.822 ( 3.893 0.000 0.508) 3.926 6.880 ( -10.476 0.000 -13.629) 17.190 7.071 ( 10.116 0.000 5.897) 11.710 7.338 ( -11.671 0.000 -11.113) 16.115 7.428 ( -17.839 0.000 -21.114) 27.641 7.693 ( 26.180 0.000 -12.295) 28.923 8.019 ( 1.984 0.000 1.489) 2.481 8.186 ( -18.539 0.000 18.809) 26.409 8.375 ( 1.399 0.000 -0.403) 1.456 8.436 ( 4.382 0.000 -14.492) 15.140 8.599 ( -14.571 0.000 -8.426) 16.832 8.601 ( 7.412 0.000 8.403) 11.205 8.686 ( -22.566 0.000 24.026) 32.962 8.792 ( -4.099 0.000 -1.296) 4.299 9.037 ( -4.851 0.000 15.587) 16.324 9.848 ( 2.048 0.000 -1.841) 2.753 9.904 ( -2.304 0.000 -4.924) 5.437 10.054 ( 1.737 0.000 2.212) 2.812 10.411 ( 6.745 0.000 -0.443) 6.760 10.500 ( -3.777 0.000 5.207) 6.433 10.648 ( -4.981 0.000 10.454) 11.580 10.845 ( 0.240 0.000 -2.796) 2.806 11.021 ( 0.912 0.000 -4.739) 4.826 11.148 ( -5.126 0.000 4.676) 6.939 11.298 ( -3.984 0.000 -4.239) 5.817 11.350 ( -0.110 0.000 0.405) 0.420 11.495 ( 6.250 0.000 0.334) 6.259 11.641 ( -10.882 0.000 1.088) 10.937 11.701 ( 2.382 0.000 -7.225) 7.608 11.862 ( 0.631 0.000 3.653) 3.708 11.925 ( -0.238 0.000 -1.779) 1.795 12.003 ( 1.171 0.000 2.203) 2.495 12.035 ( -1.202 0.000 -11.164) 11.229 12.297 ( -2.171 0.000 -1.526) 2.654 12.392 ( -2.417 0.000 -4.740) 5.321 12.587 ( 2.683 0.000 2.133) 3.427 12.689 ( -1.069 0.000 1.704) 2.011 12.946 ( 1.320 0.000 -2.390) 2.730 12.962 ( 1.879 0.000 -6.038) 6.324 12.968 ( 4.777 0.000 11.897) 12.820 13.377 ( -4.362 0.000 12.910) 13.627 13.617 ( 9.198 0.000 7.218) 11.692 13.734 ( -2.934 0.000 -5.545) 6.273 13.838 ( -5.746 0.000 -7.320) 9.306 14.145 ( -6.361 0.000 -4.307) 7.682 14.400 ( 6.933 0.000 -0.125) 6.934 14.407 ( 0.371 0.000 -6.782) 6.792 14.502 ( -3.214 0.000 -1.100) 3.397 14.756 ( -3.398 0.000 11.242) 11.745 14.969 ( 0.317 0.000 -2.777) 2.795 15.100 ( 6.830 0.000 7.099) 9.851 15.245 ( -6.598 0.000 -1.299) 6.724 15.322 ( -0.600 0.000 -2.843) 2.906 15.333 ( -6.938 0.000 3.699) 7.863 15.435 ( 0.523 0.000 -1.972) 2.040 15.569 ( 0.650 0.000 1.759) 1.875 15.627 ( -2.493 0.000 -1.984) 3.187 15.736 ( -1.103 0.000 1.494) 1.857 15.805 ( -2.319 0.000 -0.714) 2.426 16.003 ( 0.505 0.000 -3.641) 3.676 16.050 ( 3.967 0.000 -2.018) 4.451 16.161 ( 5.972 0.000 5.408) 8.057 16.188 ( 6.490 0.000 -1.962) 6.780 16.723 ( 6.760 0.000 -4.851) 8.321 16.860 ( 0.114 0.000 -12.109) 12.109 17.026 ( 1.381 0.000 -0.508) 1.471 17.085 ( -5.799 0.000 5.205) 7.793 17.238 ( -3.388 0.000 -1.466) 3.691 17.257 ( -1.301 0.000 6.362) 6.494 17.338 ( 2.164 0.000 6.931) 7.261 17.390 ( 1.249 0.000 6.861) 6.974 17.518 ( -0.570 0.000 4.870) 4.903 17.715 ( 4.739 0.000 0.167) 4.742 17.797 ( -0.235 0.000 -0.842) 0.874 17.809 ( 5.049 0.000 -6.018) 7.856 17.963 ( -2.964 0.000 3.510) 4.594 18.006 ( -2.653 0.000 -2.041) 3.347 18.109 ( 0.562 0.000 -1.805) 1.890 18.319 ( -6.481 0.000 0.401) 6.494 22.161 ( 5.696 0.000 -0.626) 5.730 22.212 ( 1.357 0.000 -2.332) 2.699 22.323 ( 0.046 0.000 2.224) 2.225 22.401 ( 0.204 0.000 3.245) 3.251 22.500 ( 0.711 0.000 -0.598) 0.929 22.511 ( 2.000 0.000 -2.065) 2.874 22.585 ( -1.106 0.000 -0.088) 1.110 22.587 ( 0.993 0.000 0.624) 1.173 24.035 ( 1.855 0.000 1.506) 2.390 24.307 ( 3.340 0.000 -4.061) 5.258 24.441 ( -0.811 0.000 1.905) 2.071 24.532 ( 1.258 0.000 -0.933) 1.566 24.616 ( 7.049 0.000 -4.267) 8.240 24.684 ( -8.298 0.000 0.748) 8.331 24.821 ( -0.922 0.000 -0.345) 0.984 24.857 ( -0.574 0.000 -1.383) 1.498 25.773 ( 7.167 0.000 -0.962) 7.231 25.977 ( 2.946 0.000 -9.571) 10.014 26.044 ( 9.083 0.000 6.091) 10.937 26.480 ( -3.831 0.000 5.044) 6.334 26.595 ( 3.204 0.000 -2.788) 4.247 26.670 ( 0.346 0.000 1.894) 1.925 26.990 ( 7.307 0.000 -2.043) 7.587 27.051 ( 2.760 0.000 1.930) 3.368 27.076 ( -9.131 0.000 -3.249) 9.692 27.366 ( 5.197 0.000 -4.586) 6.931 27.461 ( -0.458 0.000 -3.002) 3.037 27.491 ( 3.417 0.000 -3.704) 5.039 27.584 ( 0.697 0.000 1.639) 1.782 27.801 ( -0.362 0.000 3.351) 3.370 27.851 ( 5.784 0.000 -6.823) 8.944 27.856 ( -0.852 0.000 0.696) 1.100 27.939 ( 1.971 0.000 4.866) 5.250 27.975 ( 4.155 0.000 2.904) 5.069 28.094 ( 8.453 0.000 0.742) 8.485 28.361 ( -8.565 0.000 -0.085) 8.565 28.449 ( -7.919 0.000 0.164) 7.920 28.596 ( -1.367 0.000 5.979) 6.133 28.615 ( 3.072 0.000 -3.368) 4.559 28.811 ( 7.201 0.000 2.769) 7.715 28.844 ( -3.783 0.000 -1.578) 4.099 29.033 ( -4.518 0.000 -8.849) 9.936 29.167 ( 12.320 0.000 -4.441) 13.096 29.209 ( 12.750 0.000 3.241) 13.155 29.288 ( -3.643 0.000 -7.829) 8.635 29.506 ( 1.871 0.000 -3.804) 4.239 29.561 ( -5.257 0.000 10.525) 11.764 29.674 ( 1.154 0.000 0.807) 1.408 29.884 ( -5.152 0.000 -6.262) 8.108 30.200 ( -3.037 0.000 4.374) 5.325 30.531 ( -14.229 0.000 2.513) 14.449 30.549 ( -17.838 0.000 5.142) 18.565 30.812 ( 4.646 0.000 -5.699) 7.353 31.012 ( -3.781 0.000 1.250) 3.983 31.187 ( -15.174 0.000 12.469) 19.640 31.416 ( 5.805 0.000 0.802) 5.860 32.783 ( 2.056 0.000 -1.895) 2.796 32.995 ( 4.635 0.000 -5.169) 6.943 33.252 ( 9.242 0.000 3.380) 9.841 33.325 ( -1.513 0.000 2.738) 3.128 33.578 ( -7.898 0.000 5.078) 9.390 33.629 ( -3.209 0.000 6.430) 7.186 33.889 ( -18.225 0.000 4.954) 18.887 34.211 ( -3.081 0.000 -6.616) 7.298 36.200 ( 4.381 0.000 0.929) 4.478 36.379 ( 4.878 0.000 -3.801) 6.184 37.083 ( -1.096 0.000 -0.239) 1.122 37.134 ( -7.153 0.000 -2.439) 7.557 37.360 ( 3.726 0.000 6.761) 7.720 37.433 ( 21.916 0.000 -10.849) 24.455 37.596 ( 8.763 0.000 -1.717) 8.930 37.868 ( -0.418 0.000 -1.797) 1.845 38.166 ( 4.404 0.000 -0.261) 4.411 38.389 ( 1.324 0.000 -7.101) 7.223 38.580 ( -0.934 0.000 2.283) 2.466 38.619 ( -5.724 0.000 2.333) 6.181 38.790 ( 1.791 0.000 -1.662) 2.444 38.885 ( 3.683 0.000 -4.826) 6.070 38.910 ( 1.782 0.000 9.962) 10.120 39.519 ( 2.174 0.000 -3.337) 3.983 39.726 ( -3.189 0.000 -4.509) 5.523 39.778 ( 6.491 0.000 -7.798) 10.146 39.880 ( 0.317 0.000 1.703) 1.732 40.020 ( 4.685 0.000 -9.049) 10.190 40.315 ( 3.337 0.000 4.292) 5.437 40.699 ( 1.387 0.000 7.911) 8.032 40.716 ( -1.014 0.000 5.559) 5.650 40.948 ( -3.083 0.000 -5.516) 6.319 41.842 ( -0.439 0.000 2.183) 2.226 41.954 ( 0.100 0.000 -4.439) 4.440 42.062 ( 1.005 0.000 -8.022) 8.085 42.171 ( 0.631 0.000 3.276) 3.336 42.276 ( -3.027 0.000 0.593) 3.084 42.428 ( -3.357 0.000 11.975) 12.437 42.554 ( 1.625 0.000 -7.635) 7.806 42.933 ( -13.371 0.000 6.161) 14.722 83.319 ( -0.080 0.000 3.413) 3.414 83.458 ( -1.511 0.000 4.584) 4.826 83.496 ( 1.405 0.000 5.499) 5.676 83.802 ( 2.047 0.000 -3.817) 4.331 83.875 ( 1.329 0.000 -11.468) 11.544 84.008 ( 4.346 0.000 -5.185) 6.765 84.707 ( -1.802 0.000 17.614) 17.706 84.879 ( -64.063 0.000 50.218) 81.400 87.522 ( 9.399 0.000 3.475) 10.021 87.908 ( 0.470 0.000 1.461) 1.534 88.494 ( -8.433 0.000 0.118) 8.434 88.613 ( 20.235 0.000 -9.701) 22.440 88.861 ( 10.199 0.000 -6.785) 12.250 88.956 ( -2.738 0.000 -5.891) 6.497 89.336 ( -4.875 0.000 1.988) 5.265 89.446 ( -5.348 0.000 0.213) 5.352 92.781 ( 3.048 0.000 2.245) 3.785 92.885 ( 2.742 0.000 2.389) 3.637 93.137 ( -0.491 0.000 -6.664) 6.682 93.237 ( -1.495 0.000 -4.333) 4.583 93.775 ( 5.722 0.000 1.244) 5.855 94.667 ( 61.374 0.000 -55.472) 82.728 94.758 ( -8.681 0.000 16.176) 18.358 95.998 ( -3.749 0.000 -14.472) 14.950 96.792 ( 2.066 0.000 0.133) 2.070 96.819 ( 5.208 0.000 -1.369) 5.384 97.122 ( -1.926 0.000 1.467) 2.421 97.350 ( -1.620 0.000 -3.805) 4.135 97.797 ( 5.583 0.000 0.700) 5.626 97.866 ( 5.243 0.000 -0.100) 5.244 98.426 ( -3.132 0.000 0.017) 3.132 98.451 ( -2.713 0.000 -1.664) 3.183 ======================= Grid point 51 (19/48) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 29.249 0.000 18.731) 34.732 1.951 ( 36.888 0.000 14.120) 39.499 2.617 ( 18.148 0.000 15.580) 23.919 2.961 ( 29.719 0.000 -5.578) 30.238 3.027 ( -13.104 0.000 -2.516) 13.343 3.456 ( 5.018 0.000 2.780) 5.737 3.605 ( -7.499 0.000 -0.851) 7.547 3.753 ( -4.969 0.000 -4.191) 6.501 3.800 ( 12.239 0.000 0.058) 12.240 3.890 ( -12.039 0.000 -15.129) 19.334 4.005 ( -1.946 0.000 -3.988) 4.437 4.226 ( 12.154 0.000 -2.437) 12.396 4.313 ( -4.433 0.000 0.280) 4.442 4.387 ( -3.244 0.000 -4.535) 5.576 4.454 ( 0.528 0.000 -0.033) 0.529 4.665 ( 11.585 0.000 -7.356) 13.723 4.697 ( 6.845 0.000 1.374) 6.981 4.980 ( -16.933 0.000 0.484) 16.940 5.089 ( -3.132 0.000 -1.831) 3.628 5.118 ( 16.748 0.000 12.382) 20.828 5.200 ( 0.981 0.000 4.609) 4.712 5.257 ( 5.240 0.000 8.559) 10.035 5.513 ( 5.889 0.000 5.379) 7.975 5.702 ( 5.174 0.000 0.507) 5.199 5.716 ( 13.691 0.000 -2.942) 14.003 5.834 ( 5.667 0.000 1.396) 5.836 6.056 ( 0.843 0.000 0.969) 1.284 6.057 ( -0.683 0.000 -4.294) 4.348 6.114 ( -3.719 0.000 7.124) 8.037 6.211 ( -12.908 0.000 0.225) 12.910 6.558 ( -5.403 0.000 -2.410) 5.916 6.603 ( -17.251 0.000 -13.424) 21.859 6.711 ( -30.284 0.000 -12.762) 32.864 6.725 ( 10.025 0.000 0.617) 10.044 6.934 ( 1.995 0.000 -3.812) 4.303 7.083 ( 18.489 0.000 2.708) 18.686 7.178 ( 1.896 0.000 11.449) 11.605 7.416 ( 1.055 0.000 1.120) 1.539 7.791 ( -24.132 0.000 22.056) 32.693 7.955 ( -4.926 0.000 -1.562) 5.168 8.139 ( -26.417 0.000 19.272) 32.699 8.188 ( 21.152 0.000 -14.739) 25.780 8.365 ( -11.967 0.000 -1.166) 12.023 8.450 ( 5.789 0.000 -8.998) 10.700 8.511 ( 1.842 0.000 -11.734) 11.878 8.683 ( -8.265 0.000 -2.495) 8.633 8.780 ( 10.255 0.000 3.396) 10.803 8.935 ( -5.129 0.000 8.670) 10.074 9.871 ( -0.986 0.000 1.258) 1.598 9.916 ( 5.413 0.000 -2.994) 6.186 10.063 ( -1.092 0.000 -1.853) 2.151 10.372 ( -7.903 0.000 5.978) 9.909 10.537 ( -7.510 0.000 2.005) 7.773 10.552 ( 6.715 0.000 -8.357) 10.720 10.737 ( -9.856 0.000 -4.843) 10.981 11.017 ( -1.483 0.000 -5.566) 5.760 11.036 ( -6.402 0.000 1.834) 6.660 11.216 ( -5.144 0.000 -2.585) 5.757 11.349 ( 3.263 0.000 -9.365) 9.918 11.453 ( -6.561 0.000 2.726) 7.105 11.616 ( 6.496 0.000 -0.750) 6.539 11.719 ( -2.847 0.000 -15.212) 15.476 11.833 ( -7.954 0.000 -2.180) 8.247 11.895 ( 1.079 0.000 0.335) 1.130 12.042 ( 2.323 0.000 1.104) 2.572 12.058 ( 4.968 0.000 -3.526) 6.092 12.242 ( -3.637 0.000 1.037) 3.782 12.355 ( -1.681 0.000 -2.259) 2.816 12.591 ( -1.200 0.000 2.046) 2.372 12.684 ( -0.171 0.000 8.902) 8.903 12.981 ( 2.350 0.000 -1.723) 2.914 13.011 ( 2.892 0.000 -4.343) 5.218 13.059 ( 4.571 0.000 12.393) 13.209 13.292 ( -4.478 0.000 11.727) 12.553 13.628 ( -6.188 0.000 1.175) 6.298 13.806 ( 10.784 0.000 7.247) 12.992 13.823 ( 3.857 0.000 -7.248) 8.211 14.014 ( -7.865 0.000 1.240) 7.962 14.338 ( -6.342 0.000 -1.086) 6.434 14.394 ( -7.379 0.000 -2.212) 7.704 14.566 ( 9.294 0.000 1.676) 9.443 14.767 ( 3.663 0.000 4.041) 5.454 14.963 ( -1.234 0.000 -8.204) 8.297 15.099 ( -8.651 0.000 -1.842) 8.845 15.200 ( 3.677 0.000 2.058) 4.214 15.269 ( 0.570 0.000 0.588) 0.819 15.300 ( -1.739 0.000 0.855) 1.938 15.434 ( -1.084 0.000 -3.943) 4.089 15.584 ( 1.378 0.000 4.927) 5.116 15.646 ( 2.504 0.000 1.735) 3.046 15.707 ( -1.849 0.000 0.723) 1.985 15.761 ( -2.257 0.000 0.853) 2.413 16.066 ( 5.387 0.000 -2.508) 5.942 16.132 ( 4.495 0.000 -1.615) 4.776 16.242 ( 2.836 0.000 6.438) 7.035 16.278 ( 2.204 0.000 2.631) 3.432 16.844 ( 5.321 0.000 -4.996) 7.298 16.851 ( -0.570 0.000 -9.323) 9.340 16.980 ( -5.014 0.000 2.929) 5.806 17.055 ( -0.085 0.000 -2.116) 2.118 17.182 ( -1.863 0.000 1.148) 2.189 17.279 ( 5.156 0.000 4.198) 6.648 17.348 ( -4.500 0.000 8.396) 9.526 17.388 ( 3.030 0.000 7.291) 7.895 17.514 ( 0.503 0.000 3.589) 3.624 17.782 ( -1.569 0.000 -0.668) 1.706 17.836 ( 7.004 0.000 -1.696) 7.206 17.896 ( -3.757 0.000 2.990) 4.802 17.924 ( 6.533 0.000 -7.280) 9.781 17.931 ( -5.046 0.000 -1.499) 5.264 18.110 ( -0.669 0.000 -1.931) 2.043 18.233 ( -3.351 0.000 -2.795) 4.363 22.236 ( 1.359 0.000 -0.332) 1.399 22.291 ( 7.300 0.000 -0.921) 7.358 22.321 ( -0.601 0.000 2.470) 2.542 22.413 ( 1.374 0.000 2.585) 2.927 22.509 ( 0.002 0.000 -0.912) 0.912 22.554 ( -2.143 0.000 0.449) 2.189 22.557 ( 2.540 0.000 -2.313) 3.435 22.607 ( 0.974 0.000 -0.399) 1.053 24.093 ( 4.359 0.000 2.557) 5.053 24.342 ( 1.228 0.000 0.200) 1.244 24.420 ( -1.374 0.000 2.101) 2.510 24.508 ( -8.263 0.000 1.942) 8.488 24.580 ( 1.953 0.000 -1.064) 2.224 24.703 ( 2.678 0.000 -5.695) 6.294 24.798 ( -1.469 0.000 -1.427) 2.048 24.809 ( -3.972 0.000 -1.511) 4.250 25.961 ( 12.182 0.000 -1.503) 12.274 26.058 ( 5.469 0.000 -6.446) 8.454 26.259 ( 13.046 0.000 4.706) 13.869 26.393 ( -5.218 0.000 5.232) 7.389 26.637 ( -5.068 0.000 0.153) 5.070 26.666 ( 5.322 0.000 -3.644) 6.450 26.903 ( -8.713 0.000 0.147) 8.714 27.048 ( -1.739 0.000 -0.604) 1.841 27.173 ( 8.722 0.000 -1.483) 8.847 27.436 ( -1.858 0.000 -0.195) 1.868 27.441 ( 2.744 0.000 -3.759) 4.654 27.524 ( 0.104 0.000 -1.498) 1.502 27.654 ( 6.272 0.000 1.738) 6.508 27.780 ( -1.310 0.000 3.912) 4.125 27.837 ( -3.495 0.000 2.207) 4.134 27.867 ( 2.475 0.000 -0.201) 2.483 27.970 ( 0.857 0.000 2.902) 3.025 28.083 ( 5.740 0.000 3.823) 6.896 28.218 ( -0.231 0.000 -0.457) 0.512 28.272 ( -10.058 0.000 3.088) 10.521 28.301 ( 4.309 0.000 -8.409) 9.449 28.545 ( -3.196 0.000 8.240) 8.839 28.705 ( 5.327 0.000 -6.314) 8.262 28.831 ( 2.409 0.000 -6.652) 7.075 28.924 ( 3.400 0.000 -7.345) 8.093 28.987 ( 1.194 0.000 -3.218) 3.433 29.198 ( -5.322 0.000 -6.524) 8.420 29.310 ( -1.786 0.000 -7.003) 7.227 29.419 ( 2.249 0.000 2.817) 3.605 29.514 ( 11.709 0.000 9.100) 14.829 29.527 ( 0.622 0.000 1.284) 1.426 29.696 ( 0.548 0.000 0.773) 0.947 29.772 ( -6.021 0.000 -2.096) 6.375 30.100 ( -7.300 0.000 0.982) 7.366 30.238 ( -13.818 0.000 8.237) 16.087 30.260 ( -13.053 0.000 4.214) 13.717 30.950 ( 10.076 0.000 -5.551) 11.503 30.950 ( -2.560 0.000 1.246) 2.847 31.012 ( -5.895 0.000 8.147) 10.056 31.473 ( -0.793 0.000 -2.731) 2.844 32.853 ( 5.537 0.000 -0.136) 5.539 33.085 ( 5.434 0.000 -3.156) 6.284 33.303 ( -0.490 0.000 4.507) 4.533 33.393 ( -10.773 0.000 3.296) 11.266 33.467 ( 12.359 0.000 -0.337) 12.363 33.543 ( -5.661 0.000 6.454) 8.585 33.612 ( -11.974 0.000 1.109) 12.026 34.117 ( -6.948 0.000 -6.514) 9.524 36.322 ( 8.401 0.000 1.157) 8.481 36.509 ( 8.594 0.000 -3.597) 9.316 36.949 ( -11.359 0.000 -0.222) 11.361 37.017 ( -5.694 0.000 -1.134) 5.806 37.497 ( 8.898 0.000 5.293) 10.353 37.667 ( 6.170 0.000 -3.028) 6.873 37.725 ( 4.287 0.000 -1.556) 4.560 37.855 ( -1.123 0.000 -0.568) 1.258 38.272 ( 6.365 0.000 -0.029) 6.365 38.421 ( 2.154 0.000 -4.811) 5.271 38.547 ( -2.509 0.000 0.606) 2.581 38.548 ( -2.528 0.000 2.348) 3.450 38.835 ( 2.655 0.000 -0.889) 2.799 38.922 ( -0.147 0.000 9.386) 9.387 39.002 ( 8.769 0.000 -5.251) 10.221 39.541 ( -2.356 0.000 -6.228) 6.659 39.674 ( 0.016 0.000 0.328) 0.329 39.850 ( 2.595 0.000 -2.211) 3.409 39.875 ( -1.174 0.000 1.694) 2.061 40.034 ( -2.592 0.000 -4.597) 5.277 40.426 ( 7.142 0.000 -3.587) 7.992 40.699 ( -0.430 0.000 2.933) 2.964 40.703 ( -1.254 0.000 4.627) 4.794 40.870 ( -4.915 0.000 -5.068) 7.060 41.842 ( 0.627 0.000 3.195) 3.256 41.948 ( -0.990 0.000 -2.468) 2.659 42.078 ( 0.704 0.000 -6.246) 6.285 42.187 ( 1.123 0.000 2.999) 3.202 42.206 ( -4.043 0.000 0.073) 4.043 42.350 ( -4.504 0.000 10.260) 11.205 42.591 ( 2.157 0.000 -6.082) 6.454 42.755 ( -5.932 0.000 3.573) 6.925 83.321 ( 0.433 0.000 3.722) 3.747 83.419 ( -2.395 0.000 5.175) 5.702 83.542 ( 3.699 0.000 7.352) 8.230 83.849 ( 2.679 0.000 -6.976) 7.473 83.903 ( 1.327 0.000 -9.721) 9.811 84.129 ( 8.382 0.000 -4.373) 9.454 84.132 ( -23.702 0.000 33.781) 41.267 84.642 ( -5.410 0.000 11.862) 13.038 87.794 ( 17.915 0.000 0.444) 17.921 87.941 ( 3.393 0.000 0.532) 3.435 88.340 ( -8.156 0.000 3.962) 9.067 88.694 ( -7.229 0.000 0.478) 7.245 88.992 ( 6.058 0.000 -6.880) 9.167 89.031 ( 7.514 0.000 -5.958) 9.590 89.263 ( -3.429 0.000 -0.920) 3.550 89.331 ( -6.153 0.000 -0.789) 6.204 92.862 ( 5.361 0.000 1.606) 5.596 92.951 ( 4.020 0.000 2.051) 4.513 93.121 ( -1.286 0.000 -4.767) 4.937 93.183 ( -4.059 0.000 -2.511) 4.773 93.918 ( 9.028 0.000 5.088) 10.363 94.551 ( -12.408 0.000 15.185) 19.610 95.340 ( 18.331 0.000 -35.182) 39.671 95.886 ( -7.717 0.000 -18.408) 19.960 96.847 ( 3.646 0.000 0.420) 3.670 96.961 ( 8.885 0.000 -5.676) 10.543 97.073 ( -3.220 0.000 1.366) 3.498 97.309 ( -2.836 0.000 -4.588) 5.394 97.928 ( 7.860 0.000 0.725) 7.893 97.970 ( 5.788 0.000 1.727) 6.040 98.342 ( -5.591 0.000 0.030) 5.591 98.364 ( -6.352 0.000 -1.295) 6.482 ======================= Grid point 52 (20/48) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 31.258 0.000 13.184) 33.925 2.576 ( 26.627 0.000 6.307) 27.364 2.635 ( -27.250 0.000 7.375) 28.230 2.807 ( 2.336 0.000 5.724) 6.183 3.276 ( 5.916 0.000 -8.260) 10.160 3.486 ( -14.135 0.000 -1.668) 14.233 3.567 ( 2.912 0.000 -3.513) 4.564 3.658 ( -5.926 0.000 -4.309) 7.327 3.811 ( 5.531 0.000 -8.090) 9.800 3.889 ( 15.333 0.000 5.414) 16.261 4.027 ( 1.125 0.000 -4.761) 4.892 4.050 ( -17.546 0.000 2.230) 17.687 4.444 ( 7.827 0.000 -4.878) 9.222 4.453 ( 8.933 0.000 2.294) 9.223 4.645 ( -12.725 0.000 -1.962) 12.875 4.652 ( -4.608 0.000 -3.242) 5.634 4.873 ( 26.241 0.000 -13.243) 29.393 4.937 ( 9.132 0.000 -6.443) 11.176 5.052 ( -3.124 0.000 -6.665) 7.361 5.179 ( -4.182 0.000 1.903) 4.595 5.394 ( 9.440 0.000 11.159) 14.616 5.426 ( 15.736 0.000 1.328) 15.792 5.552 ( -4.531 0.000 12.009) 12.835 5.771 ( 6.110 0.000 0.354) 6.120 5.840 ( -5.389 0.000 -0.102) 5.390 5.876 ( -9.144 0.000 -3.588) 9.823 5.947 ( -11.244 0.000 0.662) 11.263 6.030 ( -4.170 0.000 -0.163) 4.173 6.083 ( 2.039 0.000 -0.946) 2.247 6.153 ( -16.357 0.000 -4.462) 16.954 6.190 ( 9.955 0.000 -6.170) 11.712 6.394 ( -10.520 0.000 -5.533) 11.886 6.539 ( 18.315 0.000 18.239) 25.848 6.939 ( 10.512 0.000 7.497) 12.911 7.011 ( -8.947 0.000 15.324) 17.745 7.100 ( -6.398 0.000 9.507) 11.460 7.209 ( -11.905 0.000 11.867) 16.810 7.383 ( -15.773 0.000 11.437) 19.483 7.485 ( 18.972 0.000 5.059) 19.635 7.777 ( -12.442 0.000 4.349) 13.181 7.922 ( 4.008 0.000 7.252) 8.286 8.119 ( -13.647 0.000 3.754) 14.154 8.484 ( 8.699 0.000 -6.603) 10.921 8.526 ( 0.668 0.000 -6.945) 6.978 8.565 ( -3.755 0.000 -6.924) 7.877 8.585 ( 5.031 0.000 -7.286) 8.854 8.845 ( -0.038 0.000 -10.892) 10.892 8.918 ( 0.635 0.000 -11.066) 11.084 9.897 ( 4.050 0.000 3.404) 5.291 9.996 ( -5.542 0.000 -2.970) 6.288 10.080 ( 12.360 0.000 -5.146) 13.389 10.287 ( 0.211 0.000 4.621) 4.626 10.368 ( -17.207 0.000 -6.997) 18.575 10.378 ( -8.175 0.000 3.089) 8.739 10.817 ( 10.018 0.000 -7.984) 12.810 10.961 ( 0.198 0.000 -3.283) 3.289 10.961 ( -4.987 0.000 -6.873) 8.491 11.060 ( -9.204 0.000 -3.269) 9.767 11.446 ( 6.634 0.000 -14.664) 16.094 11.481 ( 7.592 0.000 4.580) 8.867 11.595 ( -8.518 0.000 -16.846) 18.877 11.658 ( -10.090 0.000 1.606) 10.217 11.754 ( 7.425 0.000 -5.897) 9.482 11.868 ( -4.040 0.000 -8.011) 8.972 12.094 ( 3.329 0.000 0.959) 3.464 12.166 ( -4.190 0.000 1.510) 4.453 12.194 ( 7.758 0.000 2.355) 8.108 12.309 ( -4.002 0.000 -0.124) 4.004 12.589 ( 1.868 0.000 8.204) 8.414 12.651 ( -3.420 0.000 11.478) 11.977 13.026 ( 2.139 0.000 -1.366) 2.538 13.047 ( 0.388 0.000 -2.299) 2.332 13.139 ( 4.000 0.000 11.285) 11.972 13.213 ( -3.978 0.000 10.925) 11.627 13.603 ( 3.975 0.000 1.396) 4.213 13.750 ( -10.001 0.000 -0.855) 10.038 14.016 ( 11.367 0.000 4.920) 12.386 14.033 ( 8.436 0.000 1.235) 8.526 14.198 ( -8.367 0.000 0.989) 8.425 14.224 ( -10.397 0.000 1.585) 10.518 14.746 ( 9.715 0.000 -0.111) 9.715 14.847 ( 4.242 0.000 -1.879) 4.640 14.919 ( -3.303 0.000 -6.433) 7.232 14.927 ( -9.501 0.000 -1.365) 9.599 15.245 ( 1.451 0.000 0.678) 1.602 15.269 ( -1.345 0.000 1.144) 1.766 15.322 ( 4.083 0.000 -2.940) 5.032 15.394 ( -3.146 0.000 -4.428) 5.432 15.623 ( 2.484 0.000 4.182) 4.864 15.668 ( -2.251 0.000 2.019) 3.024 15.688 ( 1.855 0.000 3.309) 3.794 15.722 ( -1.881 0.000 2.689) 3.281 16.176 ( 5.799 0.000 0.135) 5.801 16.213 ( 3.848 0.000 -0.238) 3.855 16.261 ( -0.923 0.000 2.916) 3.059 16.265 ( -3.180 0.000 2.693) 4.167 16.855 ( 1.287 0.000 -4.965) 5.129 16.900 ( -3.438 0.000 -0.653) 3.499 16.932 ( 4.404 0.000 -4.564) 6.342 17.010 ( -3.763 0.000 -3.140) 4.900 17.184 ( 2.179 0.000 5.230) 5.666 17.254 ( -4.875 0.000 8.113) 9.465 17.396 ( 4.550 0.000 7.609) 8.866 17.432 ( 0.548 0.000 8.999) 9.016 17.573 ( 6.865 0.000 -2.902) 7.453 17.717 ( -6.267 0.000 -3.704) 7.279 17.838 ( -1.796 0.000 3.126) 3.605 17.847 ( -2.740 0.000 1.110) 2.956 17.954 ( 5.269 0.000 -2.017) 5.641 18.013 ( 0.694 0.000 -4.849) 4.899 18.103 ( 1.866 0.000 -4.363) 4.745 18.170 ( -3.712 0.000 -5.748) 6.842 22.265 ( 1.724 0.000 1.100) 2.045 22.298 ( -1.668 0.000 2.053) 2.645 22.414 ( 5.452 0.000 -1.289) 5.603 22.453 ( 2.728 0.000 1.873) 3.309 22.489 ( -2.451 0.000 -1.333) 2.790 22.507 ( -2.824 0.000 1.206) 3.071 22.598 ( 1.684 0.000 -2.095) 2.688 22.616 ( -0.183 0.000 -1.576) 1.587 24.199 ( 6.865 0.000 3.294) 7.614 24.345 ( -8.460 0.000 3.105) 9.012 24.365 ( 1.303 0.000 1.640) 2.095 24.392 ( -1.505 0.000 2.113) 2.594 24.641 ( 4.036 0.000 -1.483) 4.300 24.725 ( -4.693 0.000 -1.558) 4.945 24.739 ( 1.557 0.000 -4.429) 4.695 24.768 ( -1.609 0.000 -2.909) 3.324 26.171 ( 6.236 0.000 -2.138) 6.592 26.209 ( 13.714 0.000 -2.054) 13.867 26.287 ( -6.021 0.000 2.140) 6.390 26.446 ( -7.500 0.000 -1.971) 7.755 26.532 ( 8.448 0.000 3.866) 9.290 26.738 ( -9.808 0.000 2.897) 10.227 26.800 ( 8.513 0.000 -2.327) 8.826 26.958 ( -7.366 0.000 -1.108) 7.449 27.313 ( 5.833 0.000 -0.984) 5.916 27.393 ( -2.958 0.000 0.131) 2.961 27.482 ( 1.944 0.000 -1.951) 2.754 27.513 ( -1.211 0.000 -1.071) 1.617 27.762 ( -0.277 0.000 3.595) 3.606 27.779 ( -2.170 0.000 3.461) 4.085 27.786 ( 7.504 0.000 1.816) 7.721 27.904 ( -2.683 0.000 -0.421) 2.716 27.986 ( 3.607 0.000 2.060) 4.153 28.097 ( -7.769 0.000 3.156) 8.385 28.170 ( 3.041 0.000 0.310) 3.057 28.201 ( -0.803 0.000 -2.274) 2.411 28.390 ( 4.705 0.000 1.430) 4.918 28.478 ( -4.254 0.000 7.364) 8.504 28.808 ( 5.872 0.000 -7.404) 9.450 28.911 ( -3.996 0.000 -10.730) 11.449 28.932 ( 8.118 0.000 -8.161) 11.511 29.059 ( 4.149 0.000 -2.628) 4.912 29.119 ( -2.800 0.000 -7.241) 7.763 29.124 ( -11.757 0.000 -5.767) 13.095 29.537 ( 7.113 0.000 1.345) 7.239 29.560 ( 3.719 0.000 4.535) 5.865 29.659 ( -5.037 0.000 2.827) 5.776 29.660 ( -5.994 0.000 0.184) 5.997 29.766 ( 13.041 0.000 5.547) 14.172 29.998 ( -1.019 0.000 1.081) 1.486 30.002 ( -12.186 0.000 6.378) 13.754 30.068 ( -7.408 0.000 2.658) 7.871 30.920 ( -0.493 0.000 3.033) 3.073 30.936 ( -2.331 0.000 4.845) 5.377 31.169 ( 12.365 0.000 -5.213) 13.419 31.378 ( -8.914 0.000 -4.837) 10.142 32.990 ( 8.903 0.000 1.124) 8.973 33.177 ( -10.708 0.000 2.096) 10.911 33.211 ( 8.080 0.000 -2.181) 8.369 33.339 ( 3.286 0.000 5.849) 6.709 33.387 ( -10.530 0.000 -1.340) 10.615 33.430 ( -5.919 0.000 6.420) 8.732 33.725 ( 13.020 0.000 -3.299) 13.432 33.951 ( -10.677 0.000 -5.516) 12.018 36.507 ( 11.059 0.000 1.162) 11.120 36.689 ( 10.147 0.000 -3.236) 10.650 36.727 ( -12.014 0.000 0.800) 12.040 36.874 ( -9.163 0.000 -2.528) 9.506 37.654 ( 7.100 0.000 2.786) 7.627 37.745 ( -2.178 0.000 0.184) 2.186 37.751 ( 3.782 0.000 1.139) 3.949 37.817 ( -2.977 0.000 1.176) 3.201 38.389 ( 5.768 0.000 0.633) 5.803 38.466 ( 2.451 0.000 -3.077) 3.934 38.484 ( -4.277 0.000 1.617) 4.572 38.508 ( -1.964 0.000 -1.120) 2.261 38.881 ( 2.039 0.000 1.980) 2.842 38.910 ( -1.093 0.000 6.082) 6.179 39.200 ( 11.629 0.000 -5.438) 12.838 39.410 ( -9.988 0.000 -6.135) 11.722 39.739 ( 5.072 0.000 2.018) 5.458 39.828 ( -3.835 0.000 2.053) 4.350 39.900 ( 3.020 0.000 -0.720) 3.104 39.966 ( -3.893 0.000 -1.159) 4.062 40.553 ( 6.141 0.000 -2.400) 6.594 40.651 ( -4.114 0.000 1.168) 4.277 40.713 ( 2.100 0.000 -0.623) 2.191 40.778 ( -4.537 0.000 -3.544) 5.757 41.869 ( 2.143 0.000 2.859) 3.573 41.914 ( -2.403 0.000 0.547) 2.464 42.096 ( 1.455 0.000 -3.526) 3.815 42.138 ( -3.012 0.000 -1.257) 3.264 42.218 ( 2.201 0.000 4.256) 4.791 42.272 ( -3.584 0.000 7.127) 7.977 42.632 ( 2.259 0.000 -4.258) 4.821 42.679 ( -2.883 0.000 -1.331) 3.176 83.338 ( 1.432 0.000 4.425) 4.651 83.374 ( -2.289 0.000 5.098) 5.588 83.641 ( 6.959 0.000 11.765) 13.669 83.815 ( -12.075 0.000 19.726) 23.128 83.894 ( 1.898 0.000 -8.891) 9.091 83.915 ( -0.195 0.000 -9.193) 9.195 84.311 ( 10.503 0.000 -1.231) 10.575 84.502 ( -9.249 0.000 4.609) 10.334 88.039 ( 6.782 0.000 2.277) 7.155 88.150 ( 18.911 0.000 -0.410) 18.915 88.184 ( -8.325 0.000 4.350) 9.393 88.475 ( -15.084 0.000 -0.329) 15.087 89.105 ( 5.463 0.000 -3.254) 6.358 89.144 ( 4.860 0.000 -3.960) 6.269 89.194 ( -4.065 0.000 -2.183) 4.614 89.230 ( -4.682 0.000 -2.053) 5.113 92.974 ( 6.316 0.000 0.525) 6.337 93.026 ( 3.730 0.000 0.437) 3.756 93.086 ( -2.516 0.000 -2.125) 3.293 93.090 ( -5.740 0.000 -0.920) 5.814 94.104 ( 10.651 0.000 9.447) 14.237 94.317 ( -12.078 0.000 12.996) 17.742 95.570 ( 9.031 0.000 -21.996) 23.778 95.730 ( -8.452 0.000 -18.880) 20.685 96.923 ( 4.331 0.000 0.814) 4.406 97.004 ( -4.083 0.000 1.160) 4.245 97.120 ( 7.530 0.000 -6.655) 10.049 97.237 ( -4.958 0.000 -5.712) 7.564 98.079 ( 7.932 0.000 0.480) 7.946 98.089 ( 6.950 0.000 1.639) 7.141 98.221 ( -7.132 0.000 0.182) 7.134 98.228 ( -7.657 0.000 0.255) 7.661 ======================= Grid point 56 (21/48) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.000 27.795 26.215) 38.207 1.373 ( 0.000 26.384 36.432) 44.982 1.803 ( 0.000 30.832 48.788) 57.713 2.700 ( 0.000 15.643 1.283) 15.696 3.113 ( 0.000 0.888 -11.324) 11.359 3.313 ( 0.000 -9.139 4.739) 10.295 3.574 ( 0.000 -0.717 -4.186) 4.247 3.618 ( 0.000 7.552 -8.063) 11.047 3.724 ( 0.000 -4.463 -4.741) 6.511 3.939 ( 0.000 4.542 -11.618) 12.475 4.042 ( 0.000 -5.040 9.941) 11.146 4.231 ( 0.000 -5.484 -4.840) 7.314 4.310 ( 0.000 3.762 1.192) 3.946 4.512 ( 0.000 -5.152 4.972) 7.160 4.552 ( 0.000 -2.442 -0.682) 2.535 4.712 ( 0.000 -6.401 -1.298) 6.532 4.735 ( 0.000 -8.838 -3.482) 9.499 4.827 ( 0.000 3.636 -1.554) 3.954 4.843 ( 0.000 -1.955 -7.772) 8.014 4.895 ( 0.000 4.523 -14.056) 14.765 5.141 ( 0.000 1.685 -3.540) 3.920 5.313 ( 0.000 -2.192 2.076) 3.020 5.430 ( 0.000 -4.141 9.966) 10.793 5.463 ( 0.000 -1.301 10.558) 10.638 5.624 ( 0.000 -7.756 7.677) 10.913 5.861 ( 0.000 12.118 7.857) 14.442 5.905 ( 0.000 -0.557 -12.323) 12.336 6.105 ( 0.000 -5.429 -5.666) 7.847 6.152 ( 0.000 3.132 6.533) 7.245 6.364 ( 0.000 5.825 1.676) 6.061 6.575 ( 0.000 -13.096 2.235) 13.285 6.687 ( 0.000 -2.765 -1.524) 3.157 6.767 ( 0.000 0.697 -8.775) 8.803 6.841 ( 0.000 3.914 -0.643) 3.967 7.091 ( 0.000 -0.904 -13.271) 13.302 7.190 ( 0.000 8.962 -10.534) 13.830 7.268 ( 0.000 -1.295 -1.666) 2.110 7.426 ( 0.000 6.109 -5.826) 8.442 7.741 ( 0.000 1.867 -27.732) 27.795 7.950 ( 0.000 -18.745 1.398) 18.797 7.998 ( 0.000 -0.446 7.267) 7.280 8.355 ( 0.000 -5.830 -6.434) 8.682 8.474 ( 0.000 -2.241 -7.182) 7.524 8.534 ( 0.000 -0.207 -0.662) 0.694 8.648 ( 0.000 1.473 10.392) 10.496 8.875 ( 0.000 -3.322 15.358) 15.713 9.112 ( 0.000 2.279 15.770) 15.934 9.121 ( 0.000 5.618 5.299) 7.723 9.860 ( 0.000 1.509 -0.794) 1.705 10.009 ( 0.000 -0.834 3.391) 3.492 10.014 ( 0.000 7.059 -5.384) 8.878 10.294 ( 0.000 3.035 5.289) 6.098 10.504 ( 0.000 -2.088 4.534) 4.992 10.665 ( 0.000 -4.220 10.371) 11.197 10.871 ( 0.000 2.807 4.271) 5.111 10.947 ( 0.000 -5.528 -2.271) 5.976 11.198 ( 0.000 -1.314 6.245) 6.382 11.283 ( 0.000 1.260 10.662) 10.736 11.337 ( 0.000 -0.221 -1.728) 1.742 11.430 ( 0.000 2.201 -9.979) 10.219 11.698 ( 0.000 -0.850 3.058) 3.174 11.739 ( 0.000 -4.117 1.067) 4.253 11.830 ( 0.000 -1.363 -1.765) 2.230 11.916 ( 0.000 1.347 1.902) 2.330 11.937 ( 0.000 -7.485 -7.982) 10.942 12.075 ( 0.000 5.762 -0.655) 5.799 12.246 ( 0.000 -7.944 -0.465) 7.958 12.489 ( 0.000 3.952 -5.743) 6.972 12.511 ( 0.000 -0.884 6.287) 6.349 12.626 ( 0.000 -7.009 -5.348) 8.816 12.747 ( 0.000 -4.240 0.178) 4.244 12.920 ( 0.000 -2.431 -6.173) 6.634 13.141 ( 0.000 7.327 7.664) 10.603 13.467 ( 0.000 -2.051 2.999) 3.633 13.505 ( 0.000 5.896 14.797) 15.928 13.862 ( 0.000 5.237 -15.906) 16.746 13.901 ( 0.000 3.755 -0.734) 3.826 14.195 ( 0.000 -6.131 -6.130) 8.670 14.342 ( 0.000 1.372 -2.302) 2.680 14.405 ( 0.000 -5.772 -6.237) 8.498 14.468 ( 0.000 3.863 -0.556) 3.903 14.828 ( 0.000 -0.168 13.015) 13.016 14.978 ( 0.000 1.741 2.925) 3.404 15.004 ( 0.000 -0.492 10.148) 10.159 15.324 ( 0.000 -10.177 3.899) 10.898 15.330 ( 0.000 -0.152 0.463) 0.487 15.368 ( 0.000 3.063 -8.922) 9.433 15.373 ( 0.000 -2.395 -1.912) 3.064 15.592 ( 0.000 2.866 -1.269) 3.134 15.658 ( 0.000 -1.969 -4.044) 4.498 15.721 ( 0.000 -2.101 1.674) 2.686 15.829 ( 0.000 0.652 -2.126) 2.223 15.965 ( 0.000 -3.211 2.808) 4.266 15.999 ( 0.000 -1.860 -2.792) 3.355 16.040 ( 0.000 -0.422 2.610) 2.644 16.090 ( 0.000 -0.883 -9.519) 9.560 16.684 ( 0.000 3.386 -4.070) 5.295 16.853 ( 0.000 0.929 -8.841) 8.890 17.017 ( 0.000 -2.121 -2.314) 3.139 17.124 ( 0.000 1.614 5.787) 6.008 17.188 ( 0.000 -5.030 -3.474) 6.113 17.324 ( 0.000 -0.443 9.153) 9.163 17.363 ( 0.000 3.920 8.178) 9.069 17.426 ( 0.000 5.708 3.106) 6.498 17.538 ( 0.000 1.220 5.092) 5.236 17.667 ( 0.000 -0.977 2.045) 2.267 17.790 ( 0.000 3.082 -5.312) 6.141 17.864 ( 0.000 3.053 0.364) 3.074 17.988 ( 0.000 -0.224 1.721) 1.736 17.988 ( 0.000 -3.104 -1.788) 3.582 18.139 ( 0.000 2.843 -1.990) 3.470 18.342 ( 0.000 -4.750 0.929) 4.840 22.115 ( 0.000 1.167 -0.390) 1.230 22.207 ( 0.000 1.643 -3.235) 3.628 22.295 ( 0.000 -2.192 1.683) 2.764 22.409 ( 0.000 1.185 3.284) 3.492 22.460 ( 0.000 -2.586 -2.966) 3.935 22.512 ( 0.000 1.451 0.283) 1.478 22.558 ( 0.000 -1.340 1.122) 1.748 22.617 ( 0.000 0.932 -0.438) 1.030 24.054 ( 0.000 3.498 0.851) 3.600 24.237 ( 0.000 1.684 -5.273) 5.535 24.435 ( 0.000 -1.286 1.150) 1.725 24.491 ( 0.000 -2.915 -0.708) 3.000 24.518 ( 0.000 0.525 6.257) 6.279 24.773 ( 0.000 -4.889 0.733) 4.944 24.824 ( 0.000 0.460 -2.523) 2.564 24.831 ( 0.000 0.994 0.181) 1.010 25.711 ( 0.000 0.830 -0.282) 0.877 25.940 ( 0.000 -1.159 6.340) 6.445 25.996 ( 0.000 4.007 -10.392) 11.138 26.450 ( 0.000 -6.041 -2.930) 6.714 26.593 ( 0.000 4.537 10.819) 11.731 26.763 ( 0.000 8.370 2.110) 8.632 26.921 ( 0.000 1.639 -0.471) 1.705 27.013 ( 0.000 -0.746 1.121) 1.347 27.212 ( 0.000 -5.963 -5.045) 7.811 27.242 ( 0.000 2.364 -5.492) 5.979 27.424 ( 0.000 -1.701 -4.352) 4.673 27.449 ( 0.000 -0.800 -4.275) 4.349 27.555 ( 0.000 -0.810 3.438) 3.532 27.784 ( 0.000 2.059 -6.428) 6.749 27.858 ( 0.000 3.536 4.710) 5.889 27.926 ( 0.000 -2.334 5.679) 6.140 27.983 ( 0.000 0.033 6.061) 6.061 27.988 ( 0.000 4.575 1.650) 4.864 28.068 ( 0.000 12.895 -8.549) 15.471 28.470 ( 0.000 -5.414 -8.980) 10.486 28.522 ( 0.000 1.079 8.488) 8.557 28.550 ( 0.000 2.129 3.358) 3.976 28.723 ( 0.000 1.843 3.072) 3.582 28.749 ( 0.000 0.154 -3.591) 3.594 28.899 ( 0.000 -3.151 -4.238) 5.281 28.918 ( 0.000 -3.476 5.787) 6.751 29.044 ( 0.000 -0.607 1.494) 1.613 29.199 ( 0.000 10.023 -9.958) 14.129 29.400 ( 0.000 4.696 -5.377) 7.139 29.487 ( 0.000 -5.552 5.984) 8.163 29.565 ( 0.000 7.576 -8.855) 11.654 29.791 ( 0.000 6.620 5.301) 8.481 30.021 ( 0.000 8.324 -8.699) 12.040 30.241 ( 0.000 1.696 6.804) 7.012 30.677 ( 0.000 -3.446 -13.644) 14.072 30.711 ( 0.000 -0.981 3.565) 3.697 30.792 ( 0.000 3.228 -0.405) 3.254 31.035 ( 0.000 -2.031 2.154) 2.961 31.096 ( 0.000 -13.076 13.667) 18.915 31.530 ( 0.000 -2.954 -5.492) 6.236 32.743 ( 0.000 -1.046 -1.040) 1.475 32.994 ( 0.000 5.835 -4.995) 7.681 33.094 ( 0.000 -5.393 5.639) 7.803 33.392 ( 0.000 1.952 -2.921) 3.514 33.651 ( 0.000 -0.261 5.944) 5.949 33.667 ( 0.000 0.830 5.968) 6.025 34.049 ( 0.000 -9.181 3.873) 9.965 34.177 ( 0.000 -5.728 -5.606) 8.015 36.232 ( 0.000 6.934 0.561) 6.957 36.359 ( 0.000 2.929 -2.579) 3.903 36.908 ( 0.000 -2.836 2.756) 3.955 37.138 ( 0.000 -0.010 4.593) 4.593 37.139 ( 0.000 -4.373 -2.321) 4.950 37.338 ( 0.000 -5.983 6.730) 9.005 37.509 ( 0.000 5.609 -3.743) 6.743 37.889 ( 0.000 0.182 -5.660) 5.662 38.068 ( 0.000 -1.889 1.544) 2.440 38.453 ( 0.000 5.788 -5.729) 8.144 38.544 ( 0.000 -5.258 2.552) 5.845 38.719 ( 0.000 -1.280 -0.903) 1.567 38.850 ( 0.000 3.028 -7.483) 8.073 38.879 ( 0.000 1.875 7.642) 7.869 39.057 ( 0.000 16.112 -13.622) 21.098 39.502 ( 0.000 0.385 -4.057) 4.075 39.655 ( 0.000 0.843 -2.921) 3.041 39.756 ( 0.000 -0.010 -4.932) 4.932 39.866 ( 0.000 -0.956 2.363) 2.549 39.925 ( 0.000 -2.826 1.442) 3.173 40.320 ( 0.000 2.687 6.954) 7.455 40.682 ( 0.000 0.565 9.550) 9.567 40.700 ( 0.000 -2.737 6.497) 7.050 40.947 ( 0.000 -3.049 -4.342) 5.306 41.850 ( 0.000 0.123 0.774) 0.783 41.970 ( 0.000 1.905 -4.545) 4.928 41.997 ( 0.000 -3.675 -5.689) 6.773 42.237 ( 0.000 5.547 1.812) 5.836 42.338 ( 0.000 2.976 0.541) 3.025 42.409 ( 0.000 -4.977 4.923) 7.000 42.540 ( 0.000 -0.167 -2.829) 2.834 42.905 ( 0.000 -14.477 6.522) 15.879 83.323 ( 0.000 0.371 3.351) 3.371 83.460 ( 0.000 -2.208 3.901) 4.483 83.484 ( 0.000 1.270 4.707) 4.875 83.813 ( 0.000 -4.714 -6.880) 8.340 83.823 ( 0.000 3.755 -1.344) 3.988 84.006 ( 0.000 4.005 -4.077) 5.716 84.592 ( 0.000 -13.712 21.246) 25.286 85.239 ( 0.000 -53.807 35.484) 64.454 87.517 ( 0.000 -0.872 12.310) 12.341 87.849 ( 0.000 -3.097 1.797) 3.581 87.964 ( 0.000 4.978 2.665) 5.647 88.690 ( 0.000 2.261 0.351) 2.288 88.754 ( 0.000 4.366 -12.017) 12.786 89.001 ( 0.000 -21.514 12.347) 24.805 89.017 ( 0.000 2.059 -4.572) 5.014 89.445 ( 0.000 -5.788 -0.188) 5.791 92.758 ( 0.000 0.627 2.404) 2.484 92.849 ( 0.000 -0.827 2.181) 2.332 93.139 ( 0.000 -0.232 -7.159) 7.163 93.181 ( 0.000 -1.688 -6.408) 6.626 93.607 ( 0.000 5.753 5.493) 7.954 93.841 ( 0.000 11.400 -1.024) 11.446 94.732 ( 0.000 -11.898 12.935) 17.575 95.556 ( 0.000 -25.809 0.338) 25.811 96.874 ( 0.000 8.962 0.647) 8.985 96.880 ( 0.000 9.417 0.739) 9.446 97.491 ( 0.000 12.890 -2.709) 13.171 97.692 ( 0.000 -4.820 0.694) 4.869 97.750 ( 0.000 -5.277 -0.486) 5.299 97.920 ( 0.000 32.246 -29.152) 43.470 98.412 ( 0.000 -4.362 0.113) 4.364 98.467 ( 0.000 -0.540 -1.081) 1.209 ======================= Grid point 57 (22/48) ======================= q-point: ( 0.14 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 21.831 25.195 18.665) 38.207 1.606 ( 19.620 28.058 26.315) 43.182 2.165 ( 32.867 17.647 38.525) 53.627 2.765 ( 7.935 14.659 -1.666) 16.752 3.219 ( 1.675 0.836 -5.097) 5.430 3.332 ( 10.394 2.752 -6.437) 12.532 3.496 ( 0.651 -5.186 1.852) 5.545 3.775 ( 7.939 -0.851 -9.723) 12.581 3.789 ( -0.932 -2.541 -3.797) 4.663 3.855 ( -1.989 1.631 -6.487) 6.979 4.149 ( -7.443 2.060 -5.830) 9.676 4.203 ( 9.899 -1.714 5.565) 11.485 4.364 ( -0.428 -1.886 -1.943) 2.741 4.405 ( -9.484 -1.902 -4.137) 10.520 4.463 ( -4.382 -4.582 0.294) 6.347 4.565 ( 0.873 2.085 -0.779) 2.391 4.653 ( -5.895 3.509 -3.435) 7.673 4.850 ( 8.699 -3.301 4.036) 10.142 4.979 ( 9.753 -9.611 0.486) 13.702 5.076 ( 9.042 2.753 -6.904) 11.705 5.201 ( -5.940 -3.803 5.578) 8.992 5.298 ( 4.726 0.681 -0.336) 4.786 5.437 ( -3.274 -3.888 2.615) 5.716 5.525 ( -10.325 0.804 5.491) 11.722 5.633 ( 14.338 3.552 3.871) 15.270 5.709 ( -1.228 -4.000 4.050) 5.823 5.977 ( 2.633 -2.218 -4.019) 5.292 6.077 ( -5.695 -6.061 2.232) 8.611 6.164 ( 0.854 3.303 4.291) 5.482 6.330 ( -3.151 -0.268 -4.502) 5.501 6.584 ( -4.860 -4.254 -2.872) 7.068 6.708 ( 5.415 -0.547 -2.411) 5.952 6.785 ( -0.614 -0.991 -7.520) 7.609 6.832 ( -7.036 3.527 1.483) 8.009 6.941 ( 5.164 1.692 -0.233) 5.439 7.134 ( -4.784 5.532 -7.120) 10.207 7.337 ( -6.469 -0.220 -8.324) 10.544 7.439 ( -15.504 1.163 -18.841) 24.428 7.667 ( 18.492 -1.754 -7.409) 19.999 7.986 ( 2.161 -3.940 -0.742) 4.555 8.041 ( -1.021 -6.304 8.733) 10.819 8.327 ( -4.377 -6.973 -1.676) 8.402 8.449 ( 3.542 1.507 -12.345) 12.931 8.545 ( -2.506 1.098 11.927) 12.237 8.656 ( -21.019 -1.947 21.339) 30.015 8.705 ( 0.793 -0.000 -8.759) 8.795 8.892 ( -10.735 9.046 5.923) 15.237 9.067 ( -6.082 1.985 14.654) 15.990 9.866 ( -0.788 1.770 0.186) 1.946 9.905 ( -1.684 0.255 -4.998) 5.281 10.096 ( 2.834 4.111 1.039) 5.100 10.418 ( 4.066 1.625 2.059) 4.838 10.478 ( -1.407 -2.907 2.540) 4.108 10.628 ( -3.195 -2.490 8.149) 9.101 10.829 ( -3.869 -3.009 -4.100) 6.390 10.958 ( 1.274 -3.295 -0.665) 3.595 11.145 ( -5.579 -0.498 4.521) 7.198 11.311 ( -2.151 0.087 -2.210) 3.085 11.349 ( 2.506 0.937 1.303) 2.976 11.487 ( 2.002 -0.224 -2.259) 3.027 11.612 ( -7.054 -0.822 -1.323) 7.224 11.686 ( -0.099 -2.513 -2.597) 3.616 11.871 ( 3.513 -0.624 3.643) 5.099 11.893 ( -2.088 -3.803 -4.976) 6.602 11.916 ( -0.941 -1.300 -3.776) 4.103 12.114 ( 2.658 4.193 -2.602) 5.605 12.322 ( 4.372 -3.457 -0.583) 5.604 12.390 ( -6.113 2.649 -0.767) 6.706 12.554 ( 1.457 -1.979 2.092) 3.227 12.632 ( 0.762 -5.034 -0.645) 5.132 12.751 ( 0.768 -6.723 0.506) 6.785 12.938 ( 1.613 -2.686 -5.653) 6.464 13.131 ( -0.086 5.405 9.584) 11.003 13.443 ( -2.988 5.878 8.798) 10.995 13.573 ( 6.749 -3.190 8.191) 11.083 13.766 ( -4.528 2.515 -3.533) 6.270 13.881 ( -6.642 2.789 -9.141) 11.638 14.161 ( -4.014 1.290 -5.693) 7.084 14.281 ( -1.337 -7.202 4.334) 8.511 14.396 ( -0.481 -4.750 -6.655) 8.191 14.563 ( 3.975 6.143 -2.982) 7.901 14.769 ( -2.761 0.941 11.752) 12.108 14.994 ( 0.987 2.406 -2.740) 3.778 15.076 ( 5.427 -2.417 8.125) 10.065 15.259 ( -4.197 -2.369 1.327) 4.999 15.264 ( -4.362 -2.186 1.346) 5.062 15.361 ( -0.459 2.728 -5.522) 6.176 15.408 ( 1.261 -1.230 -1.902) 2.593 15.616 ( 0.165 2.886 -0.245) 2.901 15.637 ( 1.813 2.224 -1.176) 3.101 15.720 ( -0.871 -1.079 1.943) 2.387 15.804 ( -2.019 0.366 -1.280) 2.418 15.962 ( 0.918 -3.619 -2.748) 4.636 16.019 ( 3.438 -2.542 -0.821) 4.354 16.105 ( 4.888 -2.284 1.062) 5.498 16.196 ( 6.564 -1.843 -0.185) 6.820 16.769 ( 7.134 3.639 -4.620) 9.245 16.852 ( 0.362 0.372 -8.993) 9.008 17.015 ( -0.568 -2.273 -1.213) 2.638 17.105 ( -1.343 3.466 3.737) 5.271 17.159 ( -1.757 -3.593 -1.243) 4.188 17.352 ( 1.520 -0.880 6.453) 6.688 17.366 ( -1.233 3.400 6.590) 7.517 17.395 ( -1.597 4.555 4.585) 6.658 17.541 ( -0.187 1.600 4.794) 5.057 17.702 ( 4.291 -1.365 0.500) 4.530 17.827 ( 2.463 1.590 -4.060) 5.008 17.836 ( -1.094 2.590 -1.466) 3.171 17.959 ( -2.614 -0.784 0.267) 2.742 17.974 ( -1.738 -1.923 0.302) 2.609 18.140 ( -0.046 2.473 -1.996) 3.178 18.294 ( -3.668 -1.735 0.227) 4.064 22.170 ( 5.275 0.803 -0.455) 5.355 22.221 ( 1.261 1.204 -2.208) 2.813 22.307 ( 1.079 -1.428 1.813) 2.548 22.407 ( -0.131 0.770 2.916) 3.019 22.474 ( 1.309 -2.743 -2.127) 3.709 22.517 ( 0.587 1.082 -0.186) 1.245 22.564 ( 0.584 -1.101 0.774) 1.467 22.612 ( -0.439 0.928 -0.358) 1.087 24.070 ( 1.771 3.434 1.268) 4.067 24.300 ( 3.715 -0.075 -4.372) 5.737 24.432 ( -0.398 -0.763 1.534) 1.759 24.504 ( 1.395 -2.903 -0.839) 3.328 24.568 ( 4.258 -2.570 1.471) 5.187 24.702 ( -8.045 1.488 0.060) 8.182 24.765 ( -1.005 -4.955 0.331) 5.067 24.855 ( -1.359 -0.576 -1.721) 2.267 25.785 ( 7.583 1.376 -0.372) 7.715 26.018 ( 5.059 1.948 -2.723) 6.066 26.033 ( 6.880 0.723 -0.583) 6.943 26.478 ( 1.428 -3.054 -1.781) 3.813 26.570 ( -1.357 1.287 6.882) 7.131 26.772 ( 0.394 8.465 2.071) 8.724 26.996 ( 6.922 1.471 -1.793) 7.300 27.046 ( 2.818 -0.333 1.254) 3.103 27.088 ( -9.313 0.843 -3.300) 9.916 27.295 ( 4.226 -6.197 -5.766) 9.461 27.461 ( 0.959 -1.204 -1.796) 2.365 27.478 ( 1.460 -0.713 -2.653) 3.111 27.605 ( 4.673 -0.896 1.308) 4.935 27.786 ( 1.655 -0.537 -4.491) 4.816 27.857 ( -0.115 4.571 3.634) 5.841 27.937 ( -1.017 3.152 4.275) 5.408 27.962 ( 0.020 1.154 4.691) 4.831 28.028 ( 3.140 -0.578 4.464) 5.488 28.100 ( 3.438 6.225 -8.445) 11.040 28.358 ( -8.613 -0.104 -1.705) 8.781 28.484 ( -7.300 3.042 2.182) 8.204 28.522 ( 1.437 -2.789 -0.522) 3.180 28.724 ( -0.247 2.804 1.517) 3.198 28.781 ( -2.122 -4.304 -3.291) 5.819 28.816 ( 1.058 -0.876 1.947) 2.383 29.040 ( 5.972 -3.036 -0.893) 6.758 29.137 ( 8.013 -1.962 0.546) 8.268 29.196 ( 0.537 4.477 -8.051) 9.228 29.375 ( -1.991 5.697 -3.683) 7.070 29.470 ( -2.175 -3.494 3.797) 5.599 29.615 ( 4.257 5.323 -6.256) 9.251 29.785 ( -0.549 6.609 4.830) 8.205 29.960 ( -5.859 8.600 -6.915) 12.494 30.239 ( -0.931 3.955 4.216) 5.855 30.522 ( -12.688 0.824 3.389) 13.159 30.648 ( -12.200 7.224 -1.866) 14.301 30.761 ( 1.964 -3.931 -2.888) 5.259 30.981 ( -3.451 -3.937 2.069) 5.629 31.072 ( -4.112 -7.060 10.243) 13.102 31.453 ( -1.910 -0.426 -1.648) 2.558 32.773 ( 2.849 -0.453 -0.617) 2.950 33.037 ( 3.598 4.055 -4.783) 7.229 33.171 ( 7.323 -6.358 4.260) 10.592 33.360 ( -1.934 1.145 -0.380) 2.279 33.574 ( -7.613 -0.041 5.147) 9.190 33.635 ( -3.564 0.579 5.953) 6.962 33.864 ( -13.520 -1.870 3.873) 14.188 34.148 ( -3.338 -5.952 -5.641) 8.854 36.274 ( 4.563 7.080 0.826) 8.464 36.405 ( 4.813 2.951 -2.505) 6.177 37.060 ( 0.835 -2.991 -1.279) 3.358 37.125 ( -3.504 -2.360 -2.517) 4.918 37.264 ( 17.028 -9.953 0.557) 19.731 37.345 ( 3.591 -2.464 6.526) 7.845 37.572 ( 5.176 -0.784 -3.044) 6.055 37.881 ( -0.876 0.077 -5.343) 5.415 38.104 ( 3.642 -2.547 1.639) 4.736 38.463 ( 0.832 4.950 -3.734) 6.256 38.541 ( -0.241 -4.504 2.584) 5.199 38.603 ( -7.728 0.070 2.465) 8.112 38.880 ( 3.137 2.698 -6.263) 7.506 38.926 ( 2.748 2.086 6.225) 7.117 39.038 ( -0.894 13.778 -7.703) 15.811 39.520 ( 1.637 -0.093 -4.534) 4.822 39.692 ( -1.064 -2.127 -3.950) 4.611 39.793 ( 4.030 0.905 -4.339) 5.990 39.874 ( 0.638 -0.685 2.212) 2.402 39.990 ( 5.706 -2.834 -6.256) 8.929 40.325 ( 1.484 1.638 5.594) 6.014 40.687 ( -1.066 -2.685 5.816) 6.494 40.695 ( 0.794 -0.201 7.786) 7.829 40.920 ( -2.784 -2.736 -4.454) 5.922 41.844 ( -0.456 0.140 1.615) 1.684 41.970 ( -0.122 1.671 -3.886) 4.232 42.002 ( 0.506 -4.129 -5.106) 6.586 42.232 ( -0.888 4.005 1.764) 4.465 42.301 ( -2.996 1.998 0.031) 3.601 42.403 ( -1.184 -1.876 7.339) 7.667 42.545 ( 0.778 -0.898 -4.887) 5.030 42.818 ( -6.809 -8.634 6.579) 12.814 83.324 ( 0.128 0.565 3.387) 3.436 83.461 ( -0.564 -0.637 4.578) 4.656 83.482 ( 0.652 -0.120 4.645) 4.692 83.805 ( -0.075 -3.591 -5.081) 6.222 83.861 ( 2.921 2.218 -2.296) 4.327 84.036 ( 3.218 3.013 -4.391) 6.222 84.496 ( -15.944 -17.188 28.837) 37.164 84.759 ( -21.007 -8.780 25.894) 34.480 87.560 ( 9.712 3.697 3.539) 10.978 87.959 ( 0.344 5.013 1.359) 5.205 88.264 ( 14.564 -15.770 -1.949) 21.555 88.673 ( 1.384 1.737 -0.593) 2.299 88.867 ( 8.028 -0.316 -10.582) 13.286 88.957 ( -0.564 -2.395 -1.027) 2.666 89.097 ( 4.571 -12.438 3.797) 13.785 89.402 ( -4.159 -4.487 -0.564) 6.144 92.788 ( 3.048 0.633 2.218) 3.823 92.878 ( 2.838 -0.726 2.320) 3.737 93.135 ( -0.428 -0.179 -6.442) 6.459 93.210 ( -0.276 -2.284 -4.259) 4.840 93.874 ( 4.018 9.482 0.062) 10.298 94.188 ( 43.517 -23.590 -13.675) 51.354 94.681 ( -3.537 -11.111 9.416) 14.988 95.537 ( -2.028 -26.012 -1.446) 26.131 96.899 ( 2.215 9.366 0.950) 9.671 96.906 ( 3.210 9.072 0.440) 9.633 97.476 ( -1.453 12.431 -3.250) 12.931 97.676 ( -6.366 11.604 -9.014) 16.013 97.759 ( 4.318 -3.079 -0.687) 5.348 97.891 ( -0.245 11.793 -9.879) 15.386 98.383 ( -3.097 -4.331 0.042) 5.325 98.439 ( -3.320 -1.186 -2.061) 4.084 ======================= Grid point 58 (23/48) ======================= q-point: ( 0.29 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 26.728 26.629 12.578) 39.771 2.088 ( 30.361 14.328 14.776) 36.680 2.680 ( 15.910 6.560 13.725) 22.012 3.091 ( 17.870 10.780 -7.263) 22.098 3.161 ( 1.229 13.525 -2.081) 13.740 3.415 ( -1.623 -6.950 2.033) 7.421 3.655 ( -5.962 1.353 -2.514) 6.610 3.678 ( -0.380 0.902 3.380) 3.519 3.819 ( 1.383 -0.700 -5.207) 5.432 3.947 ( 6.199 4.454 -8.237) 11.230 4.052 ( -0.198 4.412 -4.062) 6.001 4.164 ( 4.518 -5.226 -6.339) 9.376 4.301 ( 2.372 -5.061 -7.031) 8.982 4.371 ( -7.278 1.974 -0.883) 7.593 4.484 ( 2.746 2.178 1.920) 3.996 4.682 ( 6.123 0.910 -1.463) 6.361 4.731 ( 11.909 4.416 -4.464) 13.463 4.990 ( -15.521 0.014 1.361) 15.580 5.049 ( -1.154 -5.576 4.233) 7.095 5.107 ( 16.273 -0.516 9.732) 18.968 5.195 ( -0.547 -0.580 5.561) 5.618 5.225 ( 6.436 0.539 2.283) 6.850 5.498 ( 6.710 -1.767 4.607) 8.329 5.527 ( 5.860 -9.673 0.595) 11.325 5.736 ( 2.612 -8.900 1.637) 9.419 5.887 ( 9.348 5.193 -3.202) 11.163 5.941 ( -5.308 -5.073 0.206) 7.345 6.037 ( 1.582 -5.002 -0.533) 5.273 6.124 ( -10.351 -2.992 3.746) 11.407 6.170 ( -2.410 1.007 2.753) 3.795 6.546 ( -7.726 -2.661 -8.499) 11.791 6.609 ( -13.017 0.739 -6.252) 14.460 6.692 ( -19.494 0.436 -9.630) 21.747 6.801 ( 0.932 3.212 -4.651) 5.729 6.923 ( 6.015 2.474 3.776) 7.520 7.135 ( 12.164 3.988 0.444) 12.809 7.219 ( 0.303 2.984 9.117) 9.598 7.428 ( 1.393 0.915 -0.107) 1.670 7.734 ( -14.599 -5.491 13.017) 20.316 7.906 ( -11.679 -3.890 8.225) 14.804 8.119 ( -9.094 -1.490 8.699) 12.673 8.199 ( 2.467 0.941 -0.700) 2.732 8.315 ( -0.729 -3.049 -6.246) 6.989 8.468 ( -0.704 -2.205 -7.095) 7.463 8.509 ( -0.881 2.046 -6.433) 6.808 8.655 ( -6.237 -0.969 -5.237) 8.202 8.852 ( 4.007 5.100 1.690) 6.702 8.953 ( -5.409 1.152 7.568) 9.373 9.816 ( -0.194 -2.294 1.219) 2.605 9.964 ( 3.877 1.609 -1.874) 4.597 10.103 ( -1.934 3.521 -0.298) 4.028 10.356 ( -5.204 -0.827 0.379) 5.283 10.459 ( -6.429 -3.887 -0.791) 7.554 10.636 ( 5.763 1.949 -2.499) 6.577 10.695 ( -11.291 -2.837 -5.356) 12.814 10.939 ( -2.950 -6.439 -5.701) 9.092 11.037 ( -4.121 0.717 1.519) 4.450 11.236 ( -5.352 2.171 -2.490) 6.289 11.381 ( -1.647 1.567 -10.027) 10.282 11.438 ( 0.491 0.098 3.895) 3.927 11.587 ( 3.362 -2.063 -2.434) 4.635 11.677 ( -3.735 -3.192 -6.949) 8.511 11.840 ( -6.114 -0.585 -6.690) 9.081 11.878 ( -0.330 -2.690 -7.197) 7.690 11.993 ( 8.020 1.781 7.079) 10.845 12.165 ( 3.220 4.443 -0.866) 5.555 12.292 ( -3.867 1.692 0.442) 4.244 12.358 ( -0.368 2.821 -0.568) 2.901 12.560 ( -0.741 -2.986 1.388) 3.375 12.641 ( -0.515 -3.544 7.893) 8.667 12.793 ( 3.882 -10.603 0.444) 11.300 12.965 ( 0.736 -4.757 -3.214) 5.788 13.155 ( 2.589 3.744 10.472) 11.419 13.373 ( -4.075 7.201 8.831) 12.101 13.652 ( -4.635 1.560 0.323) 4.901 13.737 ( 8.690 -5.380 6.032) 11.868 13.844 ( 3.771 0.173 -4.696) 6.026 14.031 ( -9.454 2.238 0.083) 9.715 14.214 ( -5.712 -9.738 3.112) 11.711 14.344 ( -6.558 -4.683 -3.636) 8.841 14.645 ( 6.861 5.841 0.126) 9.011 14.794 ( 3.989 2.687 4.320) 6.464 14.991 ( -1.363 2.454 -6.842) 7.395 15.105 ( -5.517 0.119 -0.381) 5.532 15.209 ( 2.821 0.976 1.041) 3.162 15.251 ( 1.658 -1.222 1.232) 2.400 15.351 ( -0.601 3.806 -2.220) 4.447 15.413 ( -0.485 -1.460 -2.144) 2.639 15.624 ( 0.751 1.957 1.891) 2.823 15.661 ( -1.309 1.614 3.185) 3.803 15.705 ( 0.640 1.297 0.798) 1.652 15.771 ( -1.332 1.300 -0.158) 1.868 16.029 ( 5.450 -3.433 -2.343) 6.854 16.097 ( 4.556 -3.262 -0.696) 5.647 16.187 ( 3.357 -3.406 3.250) 5.782 16.269 ( 0.927 -2.592 3.666) 4.584 16.849 ( 1.628 2.445 -7.498) 8.053 16.913 ( 4.941 3.375 -4.776) 7.656 16.983 ( -2.606 0.353 1.121) 2.859 17.074 ( -2.063 0.986 -1.610) 2.796 17.171 ( 2.401 0.779 1.555) 2.964 17.323 ( -2.234 2.067 6.788) 7.439 17.361 ( 0.882 1.926 3.644) 4.215 17.401 ( 2.006 1.530 6.204) 6.697 17.528 ( -0.735 1.306 5.251) 5.461 17.775 ( -0.971 -1.590 -1.685) 2.512 17.820 ( 2.578 -1.447 1.234) 3.204 17.878 ( -1.683 -2.197 -2.805) 3.941 17.902 ( -0.910 0.708 -0.720) 1.360 17.965 ( 3.091 1.726 -3.664) 5.095 18.131 ( -1.117 1.789 -2.102) 2.978 18.230 ( -3.177 -0.316 -2.744) 4.210 22.242 ( 1.590 0.688 -0.434) 1.786 22.295 ( 6.512 0.456 -0.548) 6.551 22.323 ( 0.275 0.109 2.062) 2.083 22.412 ( 1.107 0.073 1.861) 2.167 22.491 ( 0.062 -2.289 -0.429) 2.330 22.532 ( 0.580 0.221 -0.855) 1.056 22.574 ( 0.629 -0.390 -0.889) 1.157 22.607 ( 0.095 0.231 -0.509) 0.567 24.125 ( 4.147 3.184 2.187) 5.668 24.345 ( 1.563 0.413 -0.625) 1.733 24.419 ( -1.031 0.026 1.983) 2.235 24.523 ( -5.008 0.666 0.811) 5.116 24.559 ( -0.975 -1.349 -0.237) 1.681 24.638 ( 2.556 -4.980 -2.803) 6.261 24.741 ( -1.523 -5.114 -0.809) 5.397 24.795 ( -4.413 -1.660 -1.715) 5.017 25.974 ( 11.674 1.720 -0.746) 11.824 26.119 ( 6.844 5.222 -5.906) 10.440 26.237 ( 12.788 -1.966 4.447) 13.681 26.440 ( -4.698 4.282 5.316) 8.287 26.620 ( 6.430 -3.980 -2.733) 8.041 26.732 ( -6.193 8.012 0.117) 10.127 26.901 ( -9.137 -0.280 -0.038) 9.141 27.052 ( -1.874 0.364 -0.768) 2.058 27.169 ( 8.491 0.391 -1.280) 8.596 27.377 ( 4.324 -5.309 -3.525) 7.701 27.433 ( -1.734 -1.137 -0.277) 2.092 27.539 ( 3.324 -0.673 -2.115) 3.997 27.672 ( 2.967 2.461 1.325) 4.076 27.812 ( 0.246 0.142 0.344) 0.446 27.849 ( -2.095 3.846 2.670) 5.129 27.907 ( -0.137 3.756 3.013) 4.817 27.984 ( 1.357 1.978 3.806) 4.499 28.097 ( 4.308 -1.048 3.602) 5.713 28.180 ( 3.583 -3.447 -2.102) 5.398 28.235 ( -3.567 -2.059 -5.705) 7.037 28.329 ( -7.612 4.018 2.871) 9.073 28.515 ( -2.967 -1.286 2.315) 3.977 28.725 ( 0.356 -6.810 -3.844) 7.828 28.774 ( 2.617 1.695 -2.724) 4.140 28.847 ( 1.638 -3.339 -4.683) 5.980 29.102 ( 0.538 6.450 -1.891) 6.743 29.216 ( 0.400 0.133 -5.093) 5.111 29.251 ( 2.258 -5.743 -3.961) 7.333 29.386 ( 1.299 2.088 -2.552) 3.544 29.413 ( 0.589 -2.686 7.520) 8.007 29.676 ( 1.195 0.198 -1.773) 2.147 29.753 ( -4.950 0.588 0.726) 5.038 29.873 ( 0.426 16.997 -1.518) 17.070 30.190 ( -3.947 7.755 0.921) 8.751 30.284 ( -11.406 5.459 6.465) 14.202 30.389 ( -12.807 11.483 2.082) 17.327 30.838 ( 4.339 -6.825 -1.324) 8.196 30.948 ( -0.824 -4.217 3.812) 5.744 30.998 ( -0.695 -1.377 1.348) 2.048 31.433 ( -2.764 -4.475 -2.868) 5.991 32.854 ( 6.001 0.508 0.767) 6.071 33.114 ( 4.609 2.638 -3.465) 6.341 33.269 ( 1.556 -3.774 3.637) 5.468 33.386 ( -7.886 -0.910 2.217) 8.242 33.431 ( 6.565 -2.223 1.177) 7.031 33.536 ( -6.294 -0.597 5.740) 8.539 33.636 ( -10.578 1.822 0.818) 10.765 34.049 ( -7.186 -6.416 -5.615) 11.151 36.399 ( 8.478 7.333 0.884) 11.244 36.530 ( 8.218 2.560 -2.378) 8.930 36.983 ( -8.474 2.098 -0.990) 8.786 37.017 ( -6.031 -0.023 -0.883) 6.095 37.455 ( 7.602 -3.789 4.654) 9.685 37.542 ( 10.312 -10.793 -1.220) 14.977 37.657 ( 3.051 -5.516 -1.493) 6.478 37.855 ( -1.854 -1.055 -4.402) 4.891 38.192 ( 5.380 -3.582 2.097) 6.795 38.459 ( -2.802 0.460 5.027) 5.774 38.508 ( -1.136 0.526 -1.302) 1.806 38.538 ( -0.128 -2.458 2.472) 3.488 38.940 ( 2.151 2.238 2.752) 4.149 38.984 ( 2.612 8.258 -4.154) 9.606 39.053 ( 4.299 6.022 -4.538) 8.679 39.521 ( -3.412 -2.131 -7.432) 8.451 39.675 ( 1.610 0.553 1.168) 2.064 39.849 ( 2.058 0.270 0.005) 2.075 39.880 ( -0.039 0.180 1.998) 2.007 40.035 ( -1.457 -0.189 -4.341) 4.582 40.406 ( 6.580 -1.260 -1.468) 6.858 40.668 ( -0.721 -2.844 3.074) 4.250 40.695 ( -1.081 -0.747 4.540) 4.727 40.848 ( -4.694 -2.196 -4.417) 6.809 41.843 ( 0.666 0.176 2.925) 3.005 41.959 ( -1.311 1.094 -1.916) 2.567 42.014 ( 0.811 -4.471 -3.103) 5.502 42.180 ( -4.413 -1.188 2.099) 5.029 42.267 ( -0.290 4.609 0.336) 4.630 42.363 ( -2.729 1.468 6.603) 7.294 42.572 ( 1.845 -1.858 -5.468) 6.063 42.712 ( -4.179 -3.877 2.517) 6.231 83.331 ( 0.706 1.026 3.687) 3.892 83.432 ( -2.121 1.240 5.366) 5.902 83.520 ( 3.245 -1.918 5.851) 6.960 83.798 ( -1.435 -6.308 0.219) 6.473 83.917 ( 2.654 3.597 -2.691) 5.218 84.113 ( -2.666 -0.159 5.729) 6.320 84.154 ( -4.940 0.515 7.291) 8.822 84.591 ( -5.849 -5.007 10.904) 13.348 87.829 ( 17.274 3.443 0.645) 17.626 87.989 ( 3.324 4.731 0.668) 5.820 88.313 ( -3.858 -2.990 3.613) 6.073 88.647 ( -5.801 -4.606 0.720) 7.442 88.992 ( 4.194 0.359 -6.435) 7.689 89.018 ( 6.697 -1.413 -5.447) 8.748 89.155 ( 1.219 -8.690 -0.129) 8.776 89.310 ( -5.087 -2.317 -1.370) 5.755 92.868 ( 5.323 0.611 1.632) 5.601 92.947 ( 4.197 -0.476 2.065) 4.701 93.120 ( -1.224 -0.030 -4.474) 4.639 93.174 ( -3.321 -0.834 -2.300) 4.125 93.974 ( 6.459 5.830 3.444) 9.358 94.450 ( -7.900 -9.201 12.522) 17.432 94.952 ( 23.150 -31.242 -24.094) 45.744 95.482 ( -3.745 -26.187 -6.140) 27.157 96.958 ( 3.964 10.084 1.071) 10.888 96.991 ( 5.191 8.045 0.495) 9.587 97.438 ( -2.526 12.113 -4.471) 13.157 97.513 ( -8.780 22.095 -10.407) 25.954 97.877 ( 7.273 -5.085 0.747) 8.906 97.937 ( 4.514 -2.404 0.417) 5.131 98.300 ( -5.465 -4.180 -0.113) 6.881 98.341 ( -6.845 -2.241 -1.599) 7.377 ======================= Grid point 59 (24/48) ======================= q-point: ( 0.43 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 26.860 22.011 11.082) 36.452 2.629 ( 22.664 5.780 7.043) 24.427 2.788 ( -14.836 12.275 4.559) 19.788 2.884 ( -5.834 8.677 6.872) 12.512 3.338 ( 1.458 2.144 -5.026) 5.655 3.475 ( -11.850 -5.100 -1.616) 13.001 3.521 ( 8.270 1.635 -4.604) 9.606 3.664 ( -5.582 5.878 -1.416) 8.229 3.849 ( 3.900 3.301 -8.455) 9.879 4.007 ( 5.469 4.539 4.278) 8.295 4.040 ( 0.694 5.252 -6.969) 8.754 4.177 ( -4.276 10.263 -2.772) 11.459 4.382 ( 7.570 -5.312 -5.166) 10.593 4.477 ( 7.758 0.029 3.084) 8.348 4.567 ( -5.636 -0.725 -1.431) 5.860 4.739 ( -11.066 3.812 -0.703) 11.726 4.805 ( 21.918 -5.605 -13.078) 26.132 4.958 ( 7.528 1.630 -7.328) 10.631 5.061 ( -0.279 -0.872 -4.938) 5.022 5.135 ( -7.296 -3.588 -0.266) 8.135 5.347 ( 11.286 -4.004 6.416) 13.585 5.452 ( 16.810 2.630 5.208) 17.793 5.543 ( -6.428 -4.700 8.404) 11.577 5.641 ( 7.952 -6.938 3.004) 10.972 5.770 ( -7.240 -6.365 0.659) 9.662 5.846 ( -5.369 -6.020 -4.114) 9.055 5.886 ( -6.195 -4.238 -0.431) 7.519 6.020 ( 7.173 -1.776 1.111) 7.472 6.074 ( 0.432 -1.886 -1.491) 2.443 6.118 ( -15.573 0.017 -2.322) 15.745 6.227 ( -5.421 1.010 -4.242) 6.957 6.390 ( -11.627 -0.645 -1.273) 11.714 6.598 ( 18.196 5.782 15.429) 24.548 6.973 ( 10.111 2.601 5.321) 11.718 7.000 ( -5.034 1.005 13.334) 14.288 7.177 ( -16.110 5.283 15.168) 22.749 7.228 ( -4.109 2.313 8.088) 9.362 7.379 ( -4.154 -2.380 7.364) 8.783 7.458 ( 5.230 -0.204 10.142) 11.413 7.687 ( -12.230 -7.514 7.889) 16.379 7.959 ( 5.978 3.129 5.401) 8.642 8.172 ( -12.688 3.838 0.891) 13.286 8.426 ( 4.268 -5.528 -5.274) 8.752 8.478 ( 2.353 -5.685 -8.096) 10.169 8.544 ( 2.286 0.589 -6.477) 6.894 8.602 ( 2.248 1.260 -7.706) 8.125 8.854 ( -2.266 0.388 -9.988) 10.249 8.905 ( -1.226 -1.341 -10.428) 10.585 9.896 ( 7.199 -0.222 2.886) 7.759 10.013 ( -3.095 1.644 -3.465) 4.928 10.067 ( 4.508 -0.496 -0.670) 4.584 10.252 ( -10.754 -4.667 -0.772) 11.749 10.330 ( 0.482 2.195 -0.473) 2.297 10.452 ( -11.335 1.540 -3.303) 11.906 10.767 ( 5.824 -5.294 -6.310) 10.088 10.862 ( -4.772 -7.791 -7.661) 11.923 11.027 ( 2.906 6.534 -3.843) 8.119 11.122 ( -6.459 5.175 -3.144) 8.853 11.369 ( 4.843 -3.048 -6.720) 8.826 11.507 ( -5.194 -1.840 -8.240) 9.912 11.575 ( 3.125 1.767 -4.014) 5.385 11.692 ( 0.301 -2.383 -3.233) 4.027 11.712 ( -0.997 -0.503 -6.946) 7.035 11.829 ( -5.382 -3.050 -7.119) 9.431 12.138 ( 6.724 2.575 2.658) 7.675 12.232 ( -3.292 3.552 -0.630) 4.884 12.246 ( 4.847 5.375 2.105) 7.537 12.325 ( -3.107 3.430 0.359) 4.642 12.552 ( 1.012 -3.453 6.669) 7.578 12.602 ( -3.265 -4.459 11.036) 12.342 12.879 ( 4.628 -9.927 0.531) 10.966 12.949 ( -2.489 -7.935 -0.361) 8.323 13.218 ( 3.884 4.632 9.066) 10.897 13.295 ( -4.180 6.361 8.422) 11.352 13.644 ( 4.631 3.534 0.674) 5.864 13.795 ( -9.512 3.622 -0.653) 10.199 13.933 ( 9.134 -7.344 4.996) 12.741 13.992 ( 8.178 -3.781 1.339) 9.108 14.090 ( -7.370 -9.254 3.477) 12.330 14.177 ( -10.279 -4.544 0.069) 11.239 14.800 ( 8.824 4.464 -0.615) 9.908 14.874 ( 4.131 2.725 -1.100) 5.069 14.945 ( -3.482 2.345 -5.261) 6.730 14.964 ( -8.261 3.253 -1.177) 8.956 15.271 ( 2.293 2.005 -0.030) 3.046 15.285 ( 0.905 0.851 0.137) 1.250 15.353 ( 1.492 2.649 -2.990) 4.264 15.393 ( -1.793 -0.785 -3.561) 4.063 15.627 ( -0.243 1.425 4.084) 4.332 15.633 ( -0.929 -1.865 2.944) 3.607 15.724 ( 1.266 2.625 2.564) 3.882 15.749 ( -1.248 2.741 1.699) 3.458 16.139 ( 5.656 -3.663 0.346) 6.748 16.178 ( 3.452 -3.395 0.200) 4.846 16.217 ( -0.451 -3.369 2.014) 3.951 16.240 ( -3.224 -3.131 3.003) 5.405 16.883 ( 2.091 2.892 -4.727) 5.923 16.929 ( -2.852 2.730 -1.183) 4.121 16.987 ( 3.177 3.983 -4.192) 6.597 17.037 ( -2.134 1.964 -2.995) 4.169 17.202 ( 1.744 2.091 4.967) 5.665 17.257 ( -3.900 0.952 7.791) 8.765 17.429 ( 2.973 2.912 7.304) 8.406 17.452 ( 1.632 1.622 6.704) 7.088 17.552 ( 5.713 -1.733 -1.249) 6.099 17.699 ( -7.065 -1.787 -3.469) 8.071 17.814 ( -1.610 -2.308 2.292) 3.629 17.816 ( -1.584 -2.608 1.843) 3.565 17.978 ( 5.235 2.078 -2.400) 6.122 18.036 ( 1.220 1.781 -5.036) 5.479 18.108 ( 0.463 0.454 -3.687) 3.743 18.167 ( -3.729 -0.367 -5.436) 6.602 22.273 ( 1.798 0.887 0.936) 2.213 22.307 ( -1.560 0.850 1.902) 2.603 22.404 ( 4.434 -0.809 -0.344) 4.520 22.450 ( 1.432 -0.930 -0.046) 1.708 22.477 ( -0.410 -0.269 0.753) 0.899 22.517 ( -2.137 0.721 -0.168) 2.262 22.595 ( 1.209 -0.633 -2.042) 2.456 22.609 ( -0.220 -0.649 -1.413) 1.571 24.227 ( 6.589 2.741 2.826) 7.675 24.364 ( -5.540 1.592 2.186) 6.164 24.374 ( -0.999 1.253 1.751) 2.373 24.398 ( -1.712 0.754 1.899) 2.665 24.615 ( 4.056 -2.582 -1.299) 4.981 24.673 ( 0.788 -4.882 -2.794) 5.680 24.708 ( -3.652 -3.073 -2.018) 5.182 24.711 ( -1.964 -4.733 -2.113) 5.543 26.181 ( 9.121 2.124 -0.305) 9.370 26.277 ( 7.535 5.081 -1.537) 9.217 26.339 ( -2.374 5.179 1.087) 5.800 26.483 ( 8.190 0.071 1.869) 8.401 26.548 ( -7.642 4.331 -0.307) 8.789 26.727 ( -10.474 -1.359 3.052) 10.994 26.780 ( 9.569 -2.077 -2.331) 10.066 26.954 ( -8.041 -0.489 -1.476) 8.190 27.306 ( 5.684 -0.224 -0.732) 5.735 27.383 ( -2.676 -0.929 0.418) 2.864 27.485 ( 5.442 -0.079 -3.126) 6.277 27.561 ( -1.668 2.764 -3.285) 4.606 27.728 ( 2.955 -0.027 3.922) 4.911 27.782 ( -2.976 0.675 3.197) 4.420 27.838 ( 2.154 3.356 2.718) 4.826 27.898 ( -2.629 0.461 0.892) 2.814 28.015 ( 3.375 2.451 2.386) 4.805 28.104 ( -5.038 0.386 1.122) 5.176 28.194 ( 2.529 -0.971 0.404) 2.739 28.238 ( -2.498 2.084 -0.765) 3.342 28.298 ( 6.627 -5.506 1.233) 8.703 28.426 ( -6.208 -2.635 4.301) 7.999 28.747 ( 2.263 -7.641 -5.937) 9.938 28.794 ( -1.758 -9.010 -6.122) 11.034 28.931 ( 7.373 4.097 -5.304) 9.964 29.063 ( -4.972 3.228 -2.416) 6.402 29.206 ( -0.756 5.365 -7.466) 9.224 29.220 ( -3.022 2.790 -5.891) 7.185 29.419 ( 5.813 -5.020 3.224) 8.329 29.505 ( 1.494 -6.402 2.237) 6.944 29.631 ( -3.425 -0.129 2.986) 4.546 29.663 ( -2.939 -2.220 -0.458) 3.712 29.968 ( 7.532 16.494 2.086) 18.252 30.111 ( -7.338 10.297 4.874) 13.551 30.129 ( -1.176 10.786 1.260) 10.922 30.190 ( -7.880 11.547 1.549) 14.065 30.875 ( 0.893 -4.322 2.522) 5.083 30.903 ( -2.303 -3.328 4.968) 6.408 31.126 ( 10.672 -4.519 -4.627) 12.479 31.320 ( -8.916 -5.844 -4.331) 11.507 32.997 ( 8.960 0.867 1.625) 9.147 33.178 ( -8.471 0.342 1.872) 8.682 33.221 ( 3.978 0.700 -1.233) 4.223 33.303 ( 0.664 -2.441 2.208) 3.358 33.394 ( -4.231 0.343 4.068) 5.879 33.462 ( -7.570 2.462 2.438) 8.325 33.662 ( 12.304 -5.717 -2.632) 13.821 33.881 ( -10.558 -6.490 -4.712) 13.259 36.580 ( 10.447 6.829 0.703) 12.500 36.693 ( 7.406 1.658 -1.485) 7.734 36.801 ( -8.747 5.697 -0.782) 10.468 36.883 ( -8.336 0.787 -1.919) 8.590 37.583 ( 5.507 -5.931 2.317) 8.418 37.649 ( -0.674 -7.233 -0.029) 7.264 37.712 ( 5.327 -5.296 -0.188) 7.513 37.804 ( -3.810 -2.886 -2.469) 5.380 38.294 ( 5.231 -3.972 3.016) 7.227 38.385 ( -4.416 -3.179 4.638) 7.150 38.517 ( 0.992 0.081 1.041) 1.441 38.533 ( -0.542 -0.857 2.339) 2.550 38.970 ( 1.381 5.230 1.270) 5.556 38.991 ( -0.728 8.665 -2.642) 9.088 39.208 ( 10.151 0.497 -5.890) 11.747 39.394 ( -9.042 -1.574 -6.839) 11.446 39.749 ( 5.054 1.240 2.620) 5.826 39.834 ( -3.371 1.018 2.766) 4.478 39.910 ( 3.036 0.584 0.626) 3.155 39.977 ( -3.823 0.769 -0.227) 3.906 40.534 ( 6.404 -1.612 -2.166) 6.950 40.634 ( -3.974 -1.427 1.075) 4.357 40.690 ( 1.991 -2.230 -0.822) 3.100 40.756 ( -4.607 -2.077 -3.424) 6.104 41.872 ( 2.262 0.321 2.877) 3.674 41.920 ( -2.602 0.594 0.867) 2.806 42.040 ( 2.101 -4.102 -0.449) 4.630 42.097 ( -3.949 -3.091 1.639) 5.275 42.278 ( 1.302 4.403 1.369) 4.791 42.313 ( -2.364 3.430 3.516) 5.452 42.609 ( 2.120 -2.233 -4.115) 5.140 42.652 ( -2.518 -2.577 -1.601) 3.943 83.353 ( 1.593 1.442 4.421) 4.916 83.390 ( -2.248 1.562 5.189) 5.867 83.603 ( 5.532 -3.215 9.038) 11.073 83.721 ( -6.366 -6.136 10.751) 13.920 83.954 ( 1.388 4.483 -4.779) 6.698 83.985 ( -2.916 4.806 -2.962) 6.354 84.288 ( 9.178 -2.203 -1.496) 9.556 84.458 ( -8.410 -4.215 3.968) 10.210 88.072 ( 6.603 3.232 2.177) 7.668 88.168 ( 12.084 1.931 1.417) 12.319 88.212 ( -1.839 2.438 3.087) 4.342 88.468 ( -12.851 -0.976 0.164) 12.889 89.068 ( 3.752 -2.612 -3.408) 5.702 89.111 ( 1.248 -3.472 -2.092) 4.241 89.159 ( 1.274 -2.939 -3.898) 5.045 89.222 ( -4.147 -1.278 -2.584) 5.050 92.978 ( 6.125 0.434 0.623) 6.172 93.025 ( 3.880 -0.122 0.592) 3.926 93.083 ( -3.433 -0.108 -1.391) 3.706 93.094 ( -4.418 0.237 -1.178) 4.578 94.111 ( 8.093 1.309 7.421) 11.058 94.276 ( -9.396 -3.344 10.921) 14.790 95.252 ( 10.363 -27.726 -18.284) 34.791 95.395 ( -5.706 -26.057 -11.942) 29.226 97.036 ( 3.813 10.313 1.481) 11.094 97.065 ( 1.595 8.391 1.376) 8.651 97.387 ( -2.505 16.011 -7.304) 17.776 97.393 ( -3.098 14.956 -6.815) 16.725 98.016 ( 7.085 -5.875 0.969) 9.255 98.040 ( 5.588 -5.101 1.121) 7.649 98.186 ( -6.063 -3.341 -0.353) 6.931 98.203 ( -7.002 -2.677 -0.401) 7.507 ======================= Grid point 63 (25/48) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.000 32.425 19.006) 37.585 1.981 ( 0.000 31.967 21.235) 38.377 2.482 ( 0.000 33.524 25.173) 41.923 2.980 ( 0.000 -22.713 14.299) 26.840 3.068 ( 0.000 -7.869 3.508) 8.616 3.128 ( 0.000 25.213 -0.699) 25.223 3.476 ( 0.000 -11.572 -5.100) 12.646 3.724 ( 0.000 3.726 -5.231) 6.422 3.783 ( 0.000 6.191 -3.058) 6.906 3.913 ( 0.000 -2.316 -5.498) 5.966 3.988 ( 0.000 -1.364 -3.098) 3.385 4.084 ( 0.000 -7.924 -7.066) 10.617 4.355 ( 0.000 -3.705 3.690) 5.229 4.382 ( 0.000 -14.392 -2.913) 14.684 4.452 ( 0.000 2.150 -3.705) 4.283 4.562 ( 0.000 -2.872 -3.169) 4.277 4.578 ( 0.000 -4.093 -0.678) 4.149 4.806 ( 0.000 -4.193 -6.466) 7.706 5.011 ( 0.000 9.562 3.486) 10.178 5.029 ( 0.000 8.881 -9.169) 12.765 5.193 ( 0.000 2.380 0.473) 2.426 5.266 ( 0.000 -2.050 5.247) 5.633 5.313 ( 0.000 -4.838 4.366) 6.517 5.432 ( 0.000 -6.881 5.175) 8.609 5.496 ( 0.000 1.148 9.453) 9.522 5.899 ( 0.000 -4.210 -5.496) 6.923 5.955 ( 0.000 -5.566 -6.076) 8.240 6.042 ( 0.000 3.564 -2.729) 4.489 6.135 ( 0.000 -1.312 -0.442) 1.385 6.311 ( 0.000 -11.663 5.253) 12.791 6.574 ( 0.000 11.755 -2.143) 11.949 6.678 ( 0.000 3.443 -1.416) 3.723 6.802 ( 0.000 2.414 -8.664) 8.994 6.916 ( 0.000 2.856 -0.765) 2.957 7.045 ( 0.000 -3.149 -8.074) 8.667 7.135 ( 0.000 -9.878 -2.992) 10.321 7.355 ( 0.000 6.933 -9.282) 11.585 7.574 ( 0.000 3.095 -3.204) 4.454 7.690 ( 0.000 -4.814 -2.551) 5.448 7.784 ( 0.000 1.808 -23.819) 23.888 7.989 ( 0.000 -0.025 5.365) 5.365 8.195 ( 0.000 -8.718 -7.869) 11.744 8.466 ( 0.000 0.491 -11.924) 11.934 8.518 ( 0.000 -1.459 -2.881) 3.229 8.661 ( 0.000 1.092 17.150) 17.185 8.795 ( 0.000 -4.408 14.810) 15.452 9.162 ( 0.000 2.562 15.733) 15.940 9.197 ( 0.000 2.000 11.550) 11.721 9.913 ( 0.000 3.303 -2.788) 4.322 9.995 ( 0.000 -0.560 2.041) 2.117 10.194 ( 0.000 9.649 -1.442) 9.757 10.380 ( 0.000 3.169 3.003) 4.366 10.461 ( 0.000 0.724 8.797) 8.826 10.587 ( 0.000 -2.319 6.712) 7.102 10.804 ( 0.000 -8.437 -1.195) 8.521 10.825 ( 0.000 -7.642 10.357) 12.871 11.216 ( 0.000 3.442 1.334) 3.692 11.323 ( 0.000 -1.208 -0.031) 1.208 11.343 ( 0.000 4.287 5.098) 6.661 11.475 ( 0.000 1.412 -5.187) 5.376 11.639 ( 0.000 -2.863 -4.733) 5.532 11.731 ( 0.000 1.887 1.712) 2.548 11.750 ( 0.000 -6.102 -7.772) 9.881 11.845 ( 0.000 -2.071 -3.822) 4.348 11.936 ( 0.000 0.797 2.839) 2.949 12.075 ( 0.000 -8.186 2.988) 8.714 12.189 ( 0.000 5.468 -3.345) 6.410 12.433 ( 0.000 -7.252 0.176) 7.254 12.507 ( 0.000 0.835 6.157) 6.213 12.571 ( 0.000 -0.203 -4.710) 4.714 12.716 ( 0.000 0.865 -3.758) 3.856 12.852 ( 0.000 -4.144 -5.175) 6.630 13.252 ( 0.000 4.799 7.531) 8.930 13.414 ( 0.000 -3.163 3.513) 4.728 13.659 ( 0.000 8.992 11.555) 14.642 13.954 ( 0.000 3.626 -13.595) 14.070 13.985 ( 0.000 3.267 -4.997) 5.970 14.055 ( 0.000 -8.220 4.021) 9.151 14.248 ( 0.000 -5.297 -7.064) 8.830 14.330 ( 0.000 -2.808 -2.600) 3.827 14.609 ( 0.000 7.660 0.078) 7.661 14.811 ( 0.000 -1.594 14.193) 14.282 14.981 ( 0.000 -1.370 9.564) 9.662 15.030 ( 0.000 0.576 -1.296) 1.418 15.144 ( 0.000 -2.308 1.359) 2.678 15.322 ( 0.000 -0.955 -1.924) 2.148 15.361 ( 0.000 -0.288 -1.162) 1.197 15.395 ( 0.000 -1.401 -7.842) 7.966 15.648 ( 0.000 2.373 -2.922) 3.764 15.684 ( 0.000 -0.954 -0.352) 1.017 15.698 ( 0.000 3.969 -2.583) 4.735 15.835 ( 0.000 -0.982 -5.138) 5.231 15.918 ( 0.000 -0.575 4.559) 4.595 15.959 ( 0.000 -1.823 -1.735) 2.516 16.018 ( 0.000 -1.371 1.526) 2.051 16.058 ( 0.000 -2.209 -6.846) 7.194 16.770 ( 0.000 4.910 -3.614) 6.097 16.890 ( 0.000 2.898 -7.375) 7.924 16.952 ( 0.000 -3.827 -3.261) 5.029 17.074 ( 0.000 -5.769 -4.304) 7.197 17.193 ( 0.000 3.914 4.416) 5.901 17.305 ( 0.000 -1.472 8.020) 8.154 17.456 ( 0.000 4.754 7.606) 8.969 17.505 ( 0.000 2.653 4.481) 5.208 17.566 ( 0.000 1.400 4.529) 4.741 17.638 ( 0.000 -1.959 2.761) 3.385 17.859 ( 0.000 2.950 -4.922) 5.738 17.874 ( 0.000 -0.926 4.482) 4.577 17.930 ( 0.000 -1.883 -0.306) 1.908 17.986 ( 0.000 -0.593 -2.572) 2.640 18.198 ( 0.000 2.902 -2.020) 3.535 18.285 ( 0.000 -1.716 -0.391) 1.760 22.148 ( 0.000 2.087 0.085) 2.089 22.248 ( 0.000 -2.560 1.113) 2.792 22.254 ( 0.000 2.929 -3.087) 4.256 22.395 ( 0.000 -3.688 -2.976) 4.738 22.442 ( 0.000 2.017 2.857) 3.497 22.526 ( 0.000 -1.856 1.751) 2.552 22.550 ( 0.000 2.221 0.021) 2.221 22.620 ( 0.000 -0.674 -0.469) 0.821 24.150 ( 0.000 5.889 0.413) 5.903 24.285 ( 0.000 2.953 -4.610) 5.475 24.396 ( 0.000 -3.456 -0.724) 3.531 24.409 ( 0.000 -4.380 -0.398) 4.398 24.537 ( 0.000 1.432 6.099) 6.265 24.665 ( 0.000 -5.221 2.806) 5.927 24.835 ( 0.000 0.618 -2.377) 2.456 24.845 ( 0.000 0.362 -0.918) 0.987 25.752 ( 0.000 3.351 1.354) 3.614 25.904 ( 0.000 -2.556 4.929) 5.552 26.087 ( 0.000 4.655 -8.189) 9.420 26.306 ( 0.000 -7.502 -2.484) 7.903 26.696 ( 0.000 5.677 8.480) 10.205 26.919 ( 0.000 6.000 1.133) 6.106 26.980 ( 0.000 -3.582 0.509) 3.618 27.012 ( 0.000 7.414 -0.450) 7.427 27.066 ( 0.000 -7.004 -4.330) 8.234 27.330 ( 0.000 6.410 -5.739) 8.604 27.357 ( 0.000 -5.848 -1.184) 5.966 27.429 ( 0.000 -0.717 -2.601) 2.698 27.559 ( 0.000 2.014 4.311) 4.758 27.805 ( 0.000 -6.636 4.897) 8.247 27.814 ( 0.000 1.905 -4.241) 4.649 27.933 ( 0.000 1.917 2.211) 2.926 28.048 ( 0.000 3.893 4.960) 6.305 28.070 ( 0.000 3.327 4.616) 5.690 28.258 ( 0.000 5.018 -9.767) 10.981 28.307 ( 0.000 -7.914 -9.370) 12.265 28.581 ( 0.000 4.189 9.594) 10.469 28.625 ( 0.000 4.102 1.970) 4.551 28.677 ( 0.000 -3.474 -0.846) 3.576 28.729 ( 0.000 -1.339 2.802) 3.105 28.844 ( 0.000 -3.357 8.139) 8.804 28.868 ( 0.000 -1.293 -3.493) 3.725 29.056 ( 0.000 1.914 0.507) 1.980 29.239 ( 0.000 -5.326 -2.115) 5.731 29.481 ( 0.000 3.403 -4.610) 5.730 29.491 ( 0.000 3.694 -4.285) 5.657 29.720 ( 0.000 7.340 -8.154) 10.971 29.883 ( 0.000 1.894 1.548) 2.446 30.209 ( 0.000 8.125 -5.310) 9.706 30.288 ( 0.000 2.341 6.990) 7.372 30.632 ( 0.000 0.788 -9.306) 9.339 30.704 ( 0.000 0.520 3.357) 3.397 30.846 ( 0.000 0.084 -3.787) 3.788 30.900 ( 0.000 -7.205 11.240) 13.351 31.014 ( 0.000 2.502 0.903) 2.660 31.386 ( 0.000 -10.293 -4.267) 11.143 32.753 ( 0.000 2.325 1.948) 3.033 32.966 ( 0.000 -6.979 5.387) 8.816 33.125 ( 0.000 6.981 -5.138) 8.668 33.369 ( 0.000 -3.940 -4.417) 5.919 33.668 ( 0.000 2.035 4.998) 5.397 33.690 ( 0.000 1.378 4.955) 5.143 33.925 ( 0.000 -3.642 2.839) 4.618 34.034 ( 0.000 -7.805 -3.137) 8.412 36.415 ( 0.000 10.844 0.752) 10.870 36.472 ( 0.000 8.687 -0.587) 8.707 36.810 ( 0.000 -7.154 1.996) 7.427 36.977 ( 0.000 -12.107 -1.728) 12.230 37.151 ( 0.000 1.165 3.958) 4.125 37.228 ( 0.000 -3.794 6.498) 7.524 37.635 ( 0.000 6.416 -6.770) 9.327 37.840 ( 0.000 -4.038 -8.621) 9.520 38.119 ( 0.000 5.807 3.133) 6.598 38.411 ( 0.000 -7.563 3.119) 8.181 38.562 ( 0.000 4.801 -1.043) 4.913 38.687 ( 0.000 -1.886 2.139) 2.852 38.898 ( 0.000 1.789 -7.222) 7.441 38.914 ( 0.000 1.206 1.273) 1.753 39.305 ( 0.000 8.985 -14.475) 17.037 39.498 ( 0.000 -1.297 -7.605) 7.715 39.680 ( 0.000 1.933 0.190) 1.942 39.773 ( 0.000 1.791 -2.023) 2.702 39.826 ( 0.000 -3.494 3.147) 4.702 39.864 ( 0.000 -2.666 2.447) 3.618 40.400 ( 0.000 5.161 6.189) 8.059 40.622 ( 0.000 -4.884 6.359) 8.018 40.708 ( 0.000 2.228 7.431) 7.758 40.866 ( 0.000 -4.730 -1.006) 4.835 41.856 ( 0.000 0.592 -0.912) 1.087 41.928 ( 0.000 -3.065 -4.509) 5.452 42.030 ( 0.000 4.183 -3.027) 5.163 42.280 ( 0.000 -7.381 0.856) 7.430 42.355 ( 0.000 5.913 1.253) 6.044 42.418 ( 0.000 5.008 0.065) 5.008 42.519 ( 0.000 -2.102 -0.533) 2.169 42.682 ( 0.000 -8.523 4.566) 9.670 83.337 ( 0.000 1.061 3.129) 3.304 83.411 ( 0.000 -2.469 2.932) 3.833 83.522 ( 0.000 2.571 5.653) 6.210 83.695 ( 0.000 -6.241 4.006) 7.416 83.915 ( 0.000 5.335 -0.522) 5.361 84.132 ( 0.000 8.661 -0.145) 8.663 84.255 ( 0.000 -14.835 15.160) 21.211 84.632 ( 0.000 -17.195 15.777) 23.336 87.565 ( 0.000 4.397 6.713) 8.025 87.769 ( 0.000 -4.782 2.707) 5.495 88.107 ( 0.000 9.426 1.607) 9.562 88.632 ( 0.000 -16.037 0.669) 16.051 88.744 ( 0.000 2.881 -1.004) 3.051 88.808 ( 0.000 0.385 -3.850) 3.870 89.078 ( 0.000 4.104 -4.102) 5.803 89.310 ( 0.000 -7.066 -1.885) 7.313 92.776 ( 0.000 1.108 2.290) 2.544 92.828 ( 0.000 -1.276 2.136) 2.489 93.134 ( 0.000 -0.207 -6.682) 6.685 93.150 ( 0.000 -1.248 -6.005) 6.134 93.785 ( 0.000 11.936 6.770) 13.722 94.144 ( 0.000 18.629 -2.140) 18.751 94.421 ( 0.000 -17.759 10.664) 20.715 95.053 ( 0.000 -25.167 -2.590) 25.300 97.099 ( 0.000 12.701 0.912) 12.733 97.110 ( 0.000 12.861 1.214) 12.918 97.554 ( 0.000 -8.861 0.925) 8.910 97.598 ( 0.000 -9.818 0.071) 9.818 97.783 ( 0.000 15.273 -0.838) 15.296 98.282 ( 0.000 -8.729 0.261) 8.732 98.287 ( 0.000 9.423 -16.429) 18.940 98.448 ( 0.000 -1.445 -3.415) 3.709 ======================= Grid point 64 (26/48) ======================= q-point: ( 0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 16.339 29.277 13.634) 36.194 2.243 ( 19.446 31.481 14.981) 39.921 2.613 ( 13.680 25.090 21.931) 36.022 3.021 ( 4.199 -14.160 7.200) 16.431 3.160 ( 8.042 13.870 -1.942) 16.150 3.297 ( 19.723 -5.133 7.250) 21.631 3.551 ( 2.677 -4.219 -1.810) 5.314 3.572 ( -4.344 0.862 -1.755) 4.764 3.772 ( -2.827 -3.387 -9.723) 10.677 3.940 ( 0.524 2.122 -5.485) 5.904 4.103 ( 7.312 -2.568 -8.724) 11.669 4.215 ( 6.010 -0.306 -2.286) 6.437 4.245 ( -1.361 -6.425 2.207) 6.929 4.415 ( -2.525 2.816 -5.500) 6.675 4.450 ( -7.270 -0.662 -8.179) 10.963 4.573 ( 8.952 -2.969 3.370) 10.015 4.612 ( 5.035 -2.276 -2.778) 6.185 4.815 ( 5.444 -5.233 -0.573) 7.572 4.913 ( -3.838 5.952 7.275) 10.154 5.076 ( -1.582 -6.026 4.519) 7.696 5.189 ( 6.910 7.256 -3.524) 10.621 5.295 ( 5.437 -1.488 2.809) 6.298 5.355 ( -4.118 -4.318 0.774) 6.016 5.462 ( -1.492 -3.939 5.194) 6.687 5.662 ( 12.139 -1.202 2.070) 12.372 5.728 ( -14.814 4.037 -0.218) 15.356 5.862 ( -4.917 -9.857 -0.432) 11.024 5.985 ( -0.035 1.369 0.731) 1.552 6.147 ( -1.789 -6.191 -4.570) 7.900 6.391 ( -7.954 -0.750 -1.461) 8.121 6.444 ( 3.958 -0.081 2.757) 4.825 6.749 ( -5.833 -2.798 -7.555) 9.947 6.802 ( 2.333 4.817 -2.181) 5.779 6.891 ( 1.046 2.357 1.079) 2.795 6.935 ( -1.901 1.055 -2.602) 3.391 7.245 ( -0.964 0.313 -12.974) 13.013 7.316 ( -0.151 1.471 -1.984) 2.475 7.460 ( -13.123 0.220 -13.813) 19.054 7.667 ( 4.510 2.343 -3.019) 5.911 7.875 ( 2.854 -6.087 -4.981) 8.368 8.001 ( 4.107 0.886 1.884) 4.605 8.177 ( 0.819 -7.064 -4.226) 8.272 8.500 ( 2.744 3.555 -9.064) 10.116 8.562 ( -7.722 0.466 15.118) 16.982 8.613 ( -13.949 -2.119 17.502) 22.481 8.666 ( 2.180 -3.448 -7.623) 8.646 9.042 ( -9.110 5.344 8.562) 13.596 9.100 ( -7.779 1.298 12.523) 14.799 9.913 ( -4.982 2.643 3.419) 6.596 9.921 ( -1.140 1.438 -3.633) 4.070 10.193 ( 1.392 4.587 1.208) 4.944 10.371 ( -5.064 -6.395 2.391) 8.501 10.488 ( 0.263 3.408 2.716) 4.366 10.599 ( 3.160 2.382 4.129) 5.719 10.712 ( -3.317 -7.283 -3.225) 8.628 10.891 ( -0.295 -5.731 2.861) 6.412 11.154 ( -5.485 2.155 1.861) 6.180 11.285 ( -2.065 -2.638 -0.513) 3.389 11.401 ( 4.007 4.070 4.011) 6.979 11.510 ( -1.778 2.633 -5.988) 6.778 11.593 ( -0.656 -3.053 -1.739) 3.574 11.642 ( -4.203 -0.660 -2.404) 4.887 11.783 ( 1.463 -3.114 -7.978) 8.688 11.867 ( -1.579 -3.488 -6.753) 7.763 11.940 ( 4.911 4.090 6.666) 9.235 12.154 ( 3.764 -2.743 -1.044) 4.773 12.248 ( 6.616 -0.811 2.049) 6.974 12.366 ( -4.914 -4.014 3.180) 7.098 12.541 ( 1.347 -0.911 6.761) 6.953 12.560 ( -0.159 -0.670 -6.265) 6.303 12.698 ( -1.969 0.710 -3.380) 3.976 12.856 ( -0.070 -5.124 -4.291) 6.684 13.231 ( -1.109 5.489 7.940) 9.716 13.455 ( 3.918 -4.569 3.992) 7.222 13.628 ( -3.030 8.250 10.701) 13.848 13.818 ( -6.934 2.553 -3.505) 8.178 13.893 ( -9.076 -1.835 -8.241) 12.396 14.078 ( -2.492 -10.761 6.099) 12.618 14.218 ( -1.884 3.045 -4.951) 6.110 14.334 ( -1.046 -1.953 -4.939) 5.414 14.679 ( 3.823 5.129 -2.977) 7.056 14.786 ( 0.537 0.500 11.051) 11.075 15.015 ( 2.195 -2.459 5.771) 6.646 15.049 ( 2.773 0.469 1.752) 3.313 15.172 ( 2.669 0.146 -0.194) 2.680 15.294 ( -2.709 1.641 -1.030) 3.331 15.369 ( 0.612 -1.367 -1.976) 2.480 15.402 ( 0.475 -1.750 -6.742) 6.982 15.646 ( -2.100 1.658 -0.508) 2.724 15.696 ( 3.586 1.835 -2.056) 4.523 15.741 ( 3.062 3.178 -0.110) 4.414 15.828 ( -0.926 1.370 -3.730) 4.080 15.887 ( -0.141 -2.594 -0.070) 2.599 15.969 ( 1.518 -2.454 0.335) 2.905 16.067 ( 3.395 -1.581 0.174) 3.749 16.130 ( 5.002 -4.075 -0.686) 6.489 16.840 ( 6.525 3.376 -3.579) 8.172 16.892 ( 0.683 3.319 -7.105) 7.872 16.967 ( 1.219 -2.418 -2.292) 3.547 17.068 ( -0.475 -4.504 -3.595) 5.782 17.199 ( 0.899 4.373 4.100) 6.062 17.320 ( 1.106 -1.836 7.145) 7.459 17.437 ( -1.807 3.851 6.481) 7.752 17.485 ( -1.568 3.337 4.422) 5.757 17.571 ( -0.193 1.329 3.805) 4.035 17.660 ( 2.438 -2.712 1.270) 3.862 17.846 ( -1.706 0.046 1.432) 2.228 17.868 ( -0.711 -0.172 -2.998) 3.086 17.928 ( -0.115 0.006 -0.922) 0.929 17.968 ( -0.972 -0.033 -1.180) 1.529 18.191 ( -0.754 2.518 -2.035) 3.324 18.266 ( -1.859 -1.227 -1.036) 2.456 22.193 ( 4.261 1.526 -0.044) 4.526 22.260 ( 1.205 1.885 -1.518) 2.704 22.274 ( 2.101 -1.154 0.397) 2.430 22.399 ( 0.419 -3.243 -1.972) 3.819 22.444 ( 0.270 1.467 2.342) 2.777 22.525 ( 0.107 -1.392 1.064) 1.755 22.558 ( 0.555 1.440 -0.018) 1.543 22.616 ( -0.358 -0.522 -0.570) 0.851 24.165 ( 1.593 5.800 0.713) 6.057 24.318 ( 2.688 1.784 -4.131) 5.241 24.410 ( 1.090 -1.699 -0.464) 2.071 24.420 ( 1.449 -5.188 -0.470) 5.407 24.543 ( 0.576 0.062 4.536) 4.573 24.654 ( -1.087 -5.279 2.225) 5.831 24.742 ( -7.215 2.281 -0.659) 7.595 24.831 ( -3.181 -1.714 -1.744) 4.013 25.834 ( 8.216 3.551 1.148) 9.024 25.984 ( 8.062 -2.729 4.599) 9.674 26.123 ( 4.129 5.202 -6.959) 9.620 26.358 ( 5.305 -7.125 -2.886) 9.340 26.659 ( -3.653 6.276 7.804) 10.660 26.901 ( -1.548 1.643 1.694) 2.823 27.033 ( 3.651 -0.343 -0.232) 3.675 27.081 ( 3.699 3.404 -1.698) 5.306 27.086 ( 2.212 -0.604 -2.855) 3.662 27.218 ( -4.737 3.298 -4.933) 7.593 27.410 ( -0.229 -4.246 -1.515) 4.514 27.443 ( 2.847 -4.079 -2.130) 5.411 27.578 ( 3.082 1.478 4.052) 5.301 27.816 ( 0.819 2.940 -3.562) 4.690 27.865 ( 4.566 -7.093 3.120) 8.994 27.946 ( 1.294 2.950 2.741) 4.230 28.021 ( -2.198 3.198 5.678) 6.877 28.053 ( -1.704 2.099 4.929) 5.622 28.243 ( -1.787 5.360 -7.800) 9.631 28.307 ( -1.298 -4.449 -8.323) 9.526 28.523 ( -2.811 3.340 2.785) 5.178 28.547 ( -6.633 2.830 2.268) 7.560 28.677 ( -3.348 -4.859 0.929) 5.973 28.715 ( -1.699 -2.429 1.376) 3.268 28.831 ( 2.853 1.593 2.842) 4.330 28.963 ( 6.203 -3.560 2.370) 7.535 29.120 ( 6.166 0.340 0.267) 6.182 29.227 ( -0.988 -2.648 -0.272) 2.840 29.457 ( -2.637 2.361 -3.840) 5.223 29.478 ( -1.744 3.343 -6.187) 7.245 29.710 ( -1.143 4.564 -5.409) 7.169 29.851 ( -3.713 0.188 0.259) 3.727 30.184 ( -0.578 10.865 -2.256) 11.112 30.340 ( 3.262 4.523 3.578) 6.625 30.557 ( -6.206 2.840 -0.599) 6.851 30.694 ( -1.258 0.871 -0.349) 1.569 30.804 ( -2.238 -0.125 -4.187) 4.749 30.876 ( -5.441 -0.600 6.235) 8.297 30.970 ( -3.099 -2.373 2.326) 4.544 31.352 ( -2.729 -9.182 -3.250) 10.116 32.790 ( 3.755 2.590 2.068) 5.008 33.024 ( 5.689 -7.762 4.714) 10.717 33.141 ( 1.771 5.789 -4.741) 7.689 33.341 ( -1.965 -2.967 -2.779) 4.516 33.592 ( -7.247 1.949 4.826) 8.922 33.648 ( -4.850 0.508 4.913) 6.922 33.835 ( -7.887 -0.675 1.365) 8.032 34.000 ( -3.813 -8.067 -3.304) 9.515 36.463 ( 4.995 11.320 0.732) 12.395 36.516 ( 4.472 8.478 -0.608) 9.604 36.919 ( 7.409 -10.199 -0.134) 12.607 36.994 ( 1.189 -10.809 -1.122) 10.932 37.178 ( 4.255 0.035 3.786) 5.695 37.267 ( 3.977 -4.123 5.635) 8.035 37.618 ( -1.532 4.907 -6.322) 8.148 37.831 ( -1.288 -4.463 -8.535) 9.717 38.139 ( 2.177 5.170 3.750) 6.748 38.413 ( 0.266 -7.120 3.261) 7.835 38.555 ( -0.971 3.456 1.510) 3.894 38.612 ( -6.026 0.260 3.730) 7.092 38.924 ( 2.705 1.875 -5.849) 6.711 38.957 ( 3.910 0.759 -0.921) 4.088 39.278 ( -2.290 9.447 -11.465) 15.032 39.499 ( -0.395 -2.449 -8.380) 8.740 39.683 ( 0.211 1.671 1.093) 2.008 39.802 ( 2.043 -0.753 0.716) 2.292 39.856 ( 2.484 -0.516 2.048) 3.260 39.924 ( 6.046 -3.254 -2.403) 7.275 40.391 ( -0.537 4.717 5.460) 7.236 40.608 ( -1.254 -4.978 5.242) 7.337 40.709 ( -0.172 1.692 6.412) 6.634 40.848 ( -2.014 -4.256 -1.439) 4.923 41.850 ( -0.394 0.644 0.077) 0.759 41.926 ( -0.090 -3.311 -3.603) 4.894 42.024 ( -0.782 3.725 -2.211) 4.402 42.231 ( -4.388 -4.786 1.845) 6.750 42.361 ( 0.153 4.617 0.943) 4.715 42.423 ( 0.254 4.081 0.474) 4.117 42.514 ( -0.233 -2.303 -1.980) 3.046 42.660 ( -2.005 -7.038 3.351) 8.049 83.343 ( 0.624 1.333 3.173) 3.498 83.422 ( 1.248 -2.382 3.107) 4.109 83.512 ( -0.963 2.521 5.789) 6.387 83.688 ( -0.796 -6.396 5.113) 8.226 83.943 ( 2.827 4.912 -0.740) 5.715 84.136 ( 0.347 6.733 -0.526) 6.763 84.214 ( -4.027 -9.789 11.297) 15.481 84.554 ( -5.947 -11.446 12.718) 18.114 87.661 ( 10.749 6.223 3.458) 12.893 87.990 ( 16.180 -11.222 1.414) 19.742 88.104 ( 0.203 9.396 1.003) 9.452 88.590 ( -3.457 -11.730 2.152) 12.417 88.813 ( 6.623 -0.734 -5.325) 8.530 88.877 ( 5.781 -1.713 -0.259) 6.035 89.076 ( -0.254 3.821 -4.028) 5.558 89.291 ( -1.899 -6.081 -2.035) 6.688 92.806 ( 3.064 1.125 2.153) 3.910 92.857 ( 3.021 -1.266 2.189) 3.940 93.132 ( -0.189 0.010 -5.877) 5.880 93.165 ( 0.633 -1.916 -4.601) 5.024 93.973 ( 17.480 1.018 1.944) 17.617 94.151 ( 0.942 16.798 -1.403) 16.883 94.400 ( -1.843 -15.441 9.330) 18.135 95.031 ( -2.341 -25.166 -3.209) 25.477 97.128 ( 3.060 12.947 1.037) 13.344 97.137 ( 2.864 13.049 1.249) 13.418 97.593 ( 3.804 -8.621 0.743) 9.452 97.624 ( 2.605 -9.010 0.089) 9.379 97.770 ( -1.241 14.047 -1.135) 14.147 98.191 ( -9.068 10.667 -13.256) 19.281 98.254 ( -2.948 -8.545 -0.014) 9.039 98.404 ( -4.791 -2.451 -3.668) 6.513 ======================= Grid point 65 (27/48) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 26.071 21.607 7.170) 34.612 2.570 ( 15.803 30.870 11.567) 36.558 2.876 ( 10.463 12.567 9.475) 18.899 3.128 ( 7.338 -12.988 2.747) 15.169 3.389 ( 2.705 10.521 -5.774) 12.303 3.463 ( -7.742 -2.946 0.668) 8.310 3.523 ( 13.189 7.652 -4.104) 15.791 3.722 ( 5.338 -8.148 2.144) 9.974 3.887 ( 10.640 7.169 3.035) 13.184 3.995 ( 19.856 -3.211 -11.443) 23.141 4.056 ( -11.179 -0.867 -10.756) 15.538 4.166 ( -2.651 0.791 -5.058) 5.765 4.220 ( 0.222 8.108 -4.461) 9.257 4.463 ( 0.137 4.366 -4.575) 6.326 4.489 ( 8.074 -1.071 3.767) 8.974 4.725 ( 3.449 1.286 -1.988) 4.184 4.766 ( 10.261 -4.846 0.445) 11.356 4.903 ( 5.340 -0.634 0.813) 5.438 4.942 ( -2.684 -8.030 11.776) 14.504 5.127 ( 2.448 -6.210 1.934) 6.949 5.175 ( 1.009 6.191 3.188) 7.037 5.296 ( 3.336 3.678 -2.876) 5.739 5.408 ( -2.650 2.583 3.533) 5.116 5.446 ( 10.386 -3.786 3.605) 11.627 5.540 ( -3.096 -8.174 -0.514) 8.756 5.746 ( -3.777 -8.136 -0.289) 8.974 5.873 ( 2.916 -10.394 1.230) 10.865 5.893 ( -6.916 -11.532 3.905) 14.002 6.128 ( -4.350 7.697 -1.133) 8.914 6.272 ( -1.665 5.005 -1.113) 5.391 6.482 ( -5.610 -2.321 -2.368) 6.517 6.575 ( -10.393 -3.172 -4.101) 11.615 6.735 ( -10.967 2.761 -8.791) 14.324 6.829 ( 3.772 -0.130 -2.405) 4.476 7.050 ( 6.732 8.567 5.005) 11.991 7.212 ( 1.605 3.626 -0.477) 3.994 7.261 ( -1.157 0.743 5.659) 5.823 7.416 ( 3.108 -3.851 -1.679) 5.226 7.634 ( -8.932 -1.962 8.508) 12.491 7.807 ( -12.272 -6.179 11.217) 17.737 8.117 ( -4.233 1.653 6.094) 7.602 8.212 ( -2.951 -0.482 2.177) 3.699 8.276 ( 0.886 0.170 -3.391) 3.509 8.402 ( -1.645 -3.825 0.797) 4.239 8.555 ( -2.964 2.590 -9.116) 9.929 8.649 ( -5.152 -0.554 -9.179) 10.541 8.937 ( -2.947 2.934 1.266) 4.347 8.967 ( -5.875 0.316 5.646) 8.154 9.811 ( -1.213 1.915 2.570) 3.427 9.961 ( 2.286 -2.090 1.697) 3.532 10.163 ( -3.535 2.313 1.413) 4.454 10.340 ( 1.205 -4.137 -4.135) 5.972 10.401 ( -8.202 1.747 -3.529) 9.098 10.589 ( -5.869 -3.694 -2.478) 7.365 10.668 ( -3.444 -1.330 -4.233) 5.617 10.803 ( -6.575 -6.620 -3.396) 9.930 11.096 ( 1.914 5.246 -1.244) 5.721 11.283 ( -0.220 0.239 -2.382) 2.404 11.411 ( -5.119 3.577 -6.243) 8.830 11.461 ( 3.900 1.814 3.300) 5.421 11.581 ( 0.026 0.382 -4.557) 4.573 11.608 ( -3.028 -3.208 -2.192) 4.926 11.792 ( -4.610 -3.539 -10.081) 11.636 11.822 ( -0.077 -2.576 -9.098) 9.455 12.073 ( 7.562 5.392 7.288) 11.806 12.220 ( 4.270 1.120 0.423) 4.434 12.287 ( -1.230 -0.872 4.999) 5.221 12.386 ( 5.194 -5.350 5.883) 9.498 12.511 ( -2.667 1.547 -0.693) 3.160 12.590 ( 0.320 -1.299 1.797) 2.240 12.650 ( -1.597 -2.649 -2.245) 3.822 12.834 ( -2.359 -7.652 -1.441) 8.136 13.247 ( 3.025 6.169 7.853) 10.435 13.521 ( -0.881 4.079 4.990) 6.505 13.591 ( 2.885 -3.272 7.682) 8.834 13.712 ( -3.210 2.208 0.709) 3.961 13.810 ( 1.211 -3.170 -3.259) 4.705 13.989 ( -6.122 -11.694 6.095) 14.538 14.104 ( -9.515 3.966 -1.272) 10.386 14.254 ( -7.706 -3.988 -2.375) 8.996 14.755 ( 6.079 5.133 -0.790) 7.995 14.859 ( 4.984 2.624 1.902) 5.945 15.033 ( -0.140 0.936 -1.248) 1.566 15.098 ( -0.283 -0.453 2.628) 2.681 15.227 ( 2.959 1.005 -1.642) 3.530 15.258 ( 0.526 2.689 -0.129) 2.743 15.373 ( -0.347 -1.575 -1.153) 1.983 15.402 ( -0.666 -1.655 -5.750) 6.021 15.626 ( -0.065 1.860 1.648) 2.486 15.736 ( 1.560 1.785 0.467) 2.416 15.768 ( -1.925 5.770 2.618) 6.622 15.822 ( 1.226 3.471 -1.980) 4.180 15.949 ( 5.186 -3.701 -1.377) 6.518 16.017 ( 3.755 -4.504 0.582) 5.892 16.122 ( 2.163 -2.968 1.671) 4.035 16.183 ( 0.294 -5.265 2.609) 5.884 16.915 ( 1.944 3.464 -5.376) 6.685 16.972 ( 5.789 2.629 -3.578) 7.295 16.989 ( 0.991 -0.055 -1.050) 1.445 17.061 ( -0.328 -1.763 -2.342) 2.950 17.235 ( 2.648 4.226 2.942) 5.790 17.338 ( 0.943 -0.615 5.545) 5.658 17.398 ( -1.495 2.854 4.170) 5.270 17.471 ( 0.535 3.968 4.078) 5.715 17.551 ( -1.777 0.703 4.348) 4.750 17.703 ( 0.838 -4.854 -0.668) 4.971 17.806 ( -2.296 -0.475 2.003) 3.084 17.821 ( -4.356 -2.500 -0.580) 5.056 17.944 ( 2.564 2.431 -2.791) 4.503 17.988 ( 3.212 0.483 -3.573) 4.829 18.168 ( -1.816 1.781 -2.321) 3.443 18.220 ( -2.958 -0.760 -2.631) 4.031 22.265 ( 2.343 1.536 -0.531) 2.852 22.311 ( 4.527 1.188 -0.019) 4.680 22.319 ( 2.153 -0.525 1.230) 2.535 22.405 ( 0.262 -1.825 -0.696) 1.971 22.456 ( 1.086 0.206 1.478) 1.846 22.535 ( 0.997 -1.385 -0.639) 1.822 22.562 ( -0.264 0.633 -0.412) 0.800 22.607 ( -0.570 -0.484 -0.873) 1.149 24.213 ( 3.678 5.460 1.361) 6.723 24.362 ( 1.934 1.133 -1.731) 2.832 24.422 ( 0.216 0.062 0.836) 0.866 24.469 ( 3.401 -4.425 -0.952) 5.661 24.552 ( -0.093 -2.929 1.050) 3.113 24.593 ( -7.679 3.311 0.555) 8.381 24.627 ( -1.780 -5.495 0.784) 5.829 24.744 ( -5.550 -3.335 -1.406) 6.625 26.030 ( 11.847 3.748 1.023) 12.468 26.182 ( 12.258 -2.909 4.038) 13.230 26.245 ( 8.638 6.363 -4.869) 11.782 26.496 ( 8.260 -4.264 -2.259) 9.566 26.575 ( -4.203 5.102 5.309) 8.478 26.837 ( -5.885 -2.154 2.840) 6.880 26.925 ( -12.520 5.116 -3.083) 13.872 27.052 ( -3.038 -0.874 -2.012) 3.747 27.224 ( 7.379 5.501 -1.848) 9.388 27.284 ( 7.960 -1.895 -2.853) 8.665 27.392 ( 0.075 -3.156 -0.270) 3.169 27.516 ( 4.353 -2.566 -3.116) 5.936 27.659 ( 4.213 -1.616 1.859) 4.880 27.839 ( 1.150 1.282 0.390) 1.766 27.921 ( 0.739 -3.156 0.887) 3.361 27.945 ( -1.760 4.497 5.581) 7.380 28.024 ( -0.563 -1.851 5.822) 6.135 28.042 ( 5.052 0.891 4.060) 6.543 28.185 ( -4.342 3.962 -5.552) 8.086 28.238 ( -5.364 0.794 -4.145) 6.825 28.404 ( -5.988 3.192 2.979) 7.410 28.508 ( -1.895 1.267 -1.317) 2.632 28.608 ( -2.194 -5.851 0.036) 6.249 28.676 ( -2.320 -5.270 -1.673) 5.996 28.906 ( 5.081 4.198 -0.791) 6.639 29.087 ( 6.391 -5.364 1.593) 8.494 29.193 ( -1.289 1.455 0.578) 2.028 29.261 ( 6.536 -0.691 0.786) 6.619 29.380 ( -5.169 1.493 -4.396) 6.948 29.438 ( -1.695 1.859 -5.767) 6.292 29.670 ( -3.191 -0.067 -2.075) 3.807 29.741 ( -7.429 -1.622 -0.840) 7.650 30.219 ( 4.261 15.319 -0.775) 15.919 30.358 ( -1.378 8.504 1.191) 8.697 30.450 ( -4.735 10.126 4.316) 11.983 30.677 ( -9.705 16.071 -1.542) 18.837 30.706 ( 2.369 -5.100 -0.665) 5.663 30.818 ( -0.167 -8.316 3.887) 9.181 30.923 ( -1.199 -6.258 -0.034) 6.372 31.281 ( -5.452 -10.882 -3.039) 12.546 32.889 ( 6.668 3.308 2.329) 7.800 33.131 ( 4.157 -5.788 2.616) 7.591 33.200 ( 4.605 2.153 -3.229) 6.022 33.340 ( 1.327 -3.100 -1.634) 3.748 33.433 ( -7.186 1.968 4.429) 8.668 33.520 ( -7.671 -1.123 4.922) 9.184 33.675 ( -8.678 2.325 -0.229) 8.987 33.892 ( -7.506 -8.455 -3.611) 11.869 36.590 ( 8.049 11.222 0.371) 13.815 36.627 ( 6.954 7.282 -0.585) 10.085 36.966 ( -1.559 -4.456 -0.537) 4.751 36.987 ( -2.643 -4.876 -0.473) 5.566 37.341 ( 10.930 -7.199 0.836) 13.115 37.362 ( 5.858 -5.083 3.540) 8.526 37.586 ( -1.877 0.373 -4.461) 4.854 37.785 ( -3.580 -5.559 -7.662) 10.121 38.199 ( 4.065 3.706 5.007) 7.439 38.425 ( 1.125 -5.985 3.926) 7.246 38.485 ( -5.670 2.033 8.042) 10.048 38.542 ( -1.906 0.018 2.854) 3.433 38.992 ( 4.315 2.838 -3.464) 6.219 39.055 ( 6.482 0.837 -5.374) 8.461 39.229 ( -2.952 8.445 -8.588) 12.401 39.458 ( -4.228 -4.001 -8.901) 10.635 39.712 ( 3.278 3.152 3.170) 5.544 39.845 ( 2.783 -1.633 2.613) 4.153 39.894 ( 1.029 2.015 2.893) 3.672 40.011 ( 1.463 -2.374 -2.566) 3.789 40.412 ( 3.524 2.281 1.243) 4.378 40.590 ( -0.232 -4.791 2.197) 5.276 40.690 ( -2.060 0.636 3.563) 4.165 40.790 ( -4.099 -3.382 -2.421) 5.840 41.851 ( 0.764 0.700 1.960) 2.217 41.930 ( 0.661 -3.498 -1.206) 3.758 41.996 ( -2.194 2.518 -0.189) 3.345 42.134 ( -5.599 -3.316 3.183) 7.244 42.361 ( 0.033 4.567 0.148) 4.569 42.418 ( -0.891 4.072 0.794) 4.243 42.521 ( 1.002 -3.177 -3.898) 5.127 42.620 ( -2.085 -5.096 0.578) 5.537 83.362 ( 1.391 2.005 3.521) 4.284 83.453 ( 1.268 -0.817 4.657) 4.895 83.492 ( -0.460 0.874 5.417) 5.506 83.661 ( -2.160 -6.512 7.603) 10.241 84.011 ( 3.863 4.841 -0.896) 6.258 84.113 ( -3.276 -0.545 1.965) 3.859 84.169 ( 1.081 2.422 -1.796) 3.203 84.452 ( -5.159 -8.477 7.656) 12.533 87.926 ( 15.683 6.068 1.086) 16.851 88.121 ( 2.853 7.840 0.689) 8.372 88.217 ( 6.179 -5.967 2.979) 9.091 88.519 ( -4.149 -8.324 1.844) 9.482 88.955 ( 7.450 -3.842 -5.328) 9.932 88.979 ( 4.330 -3.073 -0.888) 5.383 89.068 ( -0.548 2.300 -3.743) 4.427 89.242 ( -3.234 -4.299 -2.506) 5.935 92.886 ( 5.227 1.097 1.703) 5.605 92.932 ( 4.644 -0.976 2.001) 5.150 93.122 ( -1.069 0.291 -3.735) 3.896 93.154 ( -1.956 -1.104 -2.285) 3.204 94.158 ( 1.544 12.169 0.323) 12.271 94.261 ( 3.204 -6.475 5.866) 9.306 94.441 ( 11.916 -17.727 -3.446) 21.636 94.967 ( -4.411 -25.276 -4.848) 26.113 97.205 ( 4.814 13.742 1.597) 14.648 97.214 ( 4.972 13.210 1.341) 14.178 97.665 ( 0.629 1.946 -1.311) 2.430 97.675 ( 3.336 -5.486 -0.229) 6.425 97.768 ( 2.828 1.872 -0.731) 3.469 98.002 ( -9.330 9.351 -8.009) 15.448 98.177 ( -4.928 -8.130 -0.605) 9.526 98.277 ( -8.195 -4.172 -2.990) 9.670 ======================= Grid point 66 (28/48) ======================= q-point: ( 0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 21.024 13.067 5.275) 25.310 2.844 ( 12.307 20.970 7.239) 25.369 2.994 ( 1.788 10.878 4.955) 12.086 3.160 ( -12.509 6.753 4.352) 14.867 3.267 ( 0.999 1.157 -0.698) 1.681 3.351 ( -5.798 -3.066 1.166) 6.662 3.715 ( 2.425 6.461 -6.904) 9.762 3.780 ( 0.436 0.925 -1.284) 1.641 3.904 ( 2.021 2.517 -8.133) 8.750 4.068 ( -6.105 8.590 4.470) 11.448 4.177 ( 8.432 4.413 -10.728) 14.341 4.279 ( 13.377 -1.950 -8.709) 16.081 4.361 ( 0.338 3.456 -7.247) 8.036 4.489 ( 1.562 6.117 2.510) 6.794 4.650 ( 1.586 5.683 4.791) 7.601 4.664 ( 15.267 -7.805 -10.551) 20.133 4.808 ( -8.041 2.716 -0.871) 8.532 4.928 ( 0.687 -7.241 0.937) 7.334 5.013 ( 2.745 -1.049 -4.765) 5.598 5.058 ( -8.268 -4.704 -1.455) 9.624 5.280 ( 2.554 -1.106 -4.864) 5.605 5.328 ( -0.266 -10.570 -0.904) 10.612 5.498 ( 6.704 -6.298 -0.881) 9.240 5.545 ( 8.515 -2.984 3.773) 9.780 5.618 ( 0.120 -5.794 0.478) 5.815 5.734 ( 9.234 0.106 5.262) 10.629 5.833 ( -5.616 -3.011 6.613) 9.183 5.953 ( -1.173 -5.390 1.706) 5.774 6.010 ( 9.299 -1.587 2.581) 9.780 6.111 ( -9.317 -2.450 -0.528) 9.648 6.254 ( -16.484 2.649 -3.096) 16.980 6.369 ( -16.248 -1.585 2.348) 16.493 6.744 ( 15.794 8.163 11.074) 20.945 6.991 ( 11.209 -1.316 3.896) 11.940 7.080 ( -7.455 5.674 12.389) 15.532 7.246 ( -15.237 0.911 11.578) 19.158 7.292 ( 3.292 2.006 9.574) 10.321 7.338 ( 1.434 2.732 8.790) 9.316 7.472 ( -3.532 -0.584 9.094) 9.773 7.526 ( -10.420 -7.604 12.926) 18.261 8.030 ( 6.139 4.020 2.503) 7.753 8.221 ( -5.753 -0.497 -2.634) 6.346 8.298 ( -2.909 -5.054 -1.654) 6.061 8.363 ( -3.782 -5.105 -4.958) 8.059 8.580 ( 6.969 2.867 -10.141) 12.635 8.633 ( 5.086 1.616 -10.466) 11.748 8.843 ( -6.545 -1.391 -7.710) 10.209 8.867 ( -5.067 -2.262 -7.699) 9.490 9.902 ( 9.631 1.273 2.201) 9.961 10.017 ( 4.793 -2.214 1.619) 5.522 10.093 ( -6.172 3.182 -2.390) 7.344 10.184 ( -11.220 -2.077 -0.311) 11.414 10.377 ( 1.216 2.740 -5.886) 6.606 10.444 ( -6.590 -1.147 -4.134) 7.864 10.623 ( 0.674 -7.843 -4.598) 9.117 10.689 ( -5.432 -8.848 -7.205) 12.637 11.202 ( 5.758 9.723 -5.709) 12.661 11.254 ( -1.774 7.437 -4.057) 8.656 11.358 ( 2.076 1.763 -5.452) 6.095 11.493 ( -8.551 0.069 -5.274) 10.047 11.592 ( 6.724 -0.383 -4.227) 7.951 11.612 ( 4.339 -3.583 -3.081) 6.416 11.687 ( -4.809 -2.916 -8.534) 10.220 11.762 ( -6.482 -3.747 -7.202) 10.389 12.196 ( 5.550 3.823 4.744) 8.241 12.263 ( -1.008 1.497 2.200) 2.845 12.349 ( 6.658 2.253 6.932) 9.872 12.446 ( 0.181 5.141 -1.196) 5.281 12.452 ( -1.671 -5.512 5.911) 8.253 12.523 ( -5.199 -0.645 3.692) 6.409 12.694 ( 4.254 -8.025 -0.343) 9.089 12.774 ( -3.880 -8.998 -0.054) 9.799 13.331 ( 5.433 7.112 7.383) 11.602 13.439 ( -5.755 8.145 7.341) 12.384 13.694 ( 6.655 -3.989 1.144) 7.843 13.752 ( 5.347 -2.997 4.048) 7.346 13.860 ( -6.803 -8.346 3.296) 11.261 13.899 ( 4.694 -3.460 -0.070) 5.832 13.917 ( -6.250 0.023 3.556) 7.191 14.078 ( -10.133 -4.857 0.399) 11.245 14.889 ( 7.339 4.215 -1.242) 8.554 14.945 ( 4.181 3.445 -0.651) 5.457 15.001 ( -3.502 2.921 -2.426) 5.165 15.030 ( -5.250 2.629 -0.169) 5.874 15.288 ( 3.270 0.222 -1.624) 3.658 15.304 ( 2.674 0.511 -0.612) 2.790 15.354 ( -1.461 -2.055 -1.989) 3.211 15.373 ( -2.343 -2.037 -3.924) 5.004 15.648 ( 2.419 4.232 3.413) 5.950 15.707 ( -3.466 6.048 3.697) 7.891 15.782 ( 2.466 2.354 1.385) 3.680 15.820 ( -1.371 3.647 0.805) 3.978 16.048 ( 4.929 -4.463 0.958) 6.718 16.089 ( 2.595 -4.976 0.797) 5.668 16.138 ( -0.662 -4.389 1.434) 4.665 16.155 ( -2.276 -4.881 2.286) 5.850 16.955 ( 2.241 3.809 -3.555) 5.672 16.991 ( -1.165 2.987 -1.659) 3.610 17.041 ( 1.905 1.032 -2.499) 3.308 17.058 ( -0.059 -0.023 -2.122) 2.123 17.273 ( 1.733 4.644 4.123) 6.447 17.315 ( -2.617 4.872 4.357) 7.040 17.444 ( 4.177 -2.226 2.319) 5.270 17.506 ( -2.454 0.859 4.418) 5.126 17.528 ( 5.837 1.839 2.423) 6.583 17.664 ( -6.139 -0.728 -0.654) 6.216 17.742 ( -0.950 -4.309 1.485) 4.656 17.766 ( -2.341 -2.679 2.639) 4.429 18.023 ( 4.948 2.191 -3.251) 6.313 18.063 ( 3.599 0.629 -5.244) 6.391 18.121 ( -2.737 0.856 -2.849) 4.042 18.156 ( -3.767 -0.686 -4.621) 6.001 22.302 ( 1.854 1.966 0.555) 2.759 22.331 ( -0.895 1.520 1.528) 2.334 22.384 ( 2.740 -1.241 0.622) 3.072 22.413 ( -0.148 -2.359 -0.217) 2.373 22.488 ( 2.547 1.191 0.126) 2.814 22.536 ( -1.896 1.216 -0.863) 2.412 22.566 ( 1.477 -2.029 -1.560) 2.955 22.592 ( -1.099 -1.111 -1.363) 2.073 24.304 ( 5.882 4.788 1.778) 7.790 24.394 ( 1.192 1.742 0.474) 2.164 24.415 ( -1.437 1.852 1.705) 2.899 24.438 ( -6.562 3.478 1.254) 7.532 24.544 ( 4.349 -4.303 -0.832) 6.174 24.569 ( 0.895 -4.620 -1.154) 4.845 24.594 ( -1.579 -5.707 -0.783) 5.972 24.638 ( -5.411 -4.234 -1.041) 6.950 26.250 ( 10.805 4.424 1.719) 11.802 26.397 ( 1.783 6.671 0.196) 6.908 26.426 ( 10.681 -2.117 3.263) 11.367 26.478 ( 4.384 5.723 0.393) 7.220 26.664 ( -11.528 -2.212 0.973) 11.779 26.686 ( -11.561 4.980 -0.419) 12.595 26.716 ( 10.701 -4.272 -2.202) 11.731 26.923 ( -9.793 -3.134 -2.346) 10.547 27.336 ( 4.148 3.855 -1.339) 5.819 27.376 ( 0.046 0.997 -0.200) 1.018 27.470 ( 7.943 -1.452 -4.411) 9.201 27.567 ( -0.799 -2.696 -5.245) 5.951 27.732 ( 4.356 0.549 3.108) 5.379 27.815 ( -3.759 2.704 3.217) 5.638 27.920 ( 1.162 -1.077 5.631) 5.850 27.949 ( -0.035 5.756 4.124) 7.081 28.008 ( 0.131 -3.975 3.260) 5.143 28.079 ( -6.219 -0.867 -4.363) 7.647 28.138 ( 3.243 -2.981 2.460) 5.045 28.169 ( -1.084 -1.430 2.164) 2.811 28.355 ( 1.454 5.133 0.740) 5.386 28.435 ( -5.256 2.984 0.452) 6.061 28.601 ( 0.993 -6.633 -2.577) 7.185 28.633 ( -2.148 -6.604 -3.164) 7.631 29.022 ( 6.757 4.298 -2.953) 8.536 29.136 ( -4.806 3.594 -0.612) 6.032 29.188 ( 4.536 -4.083 -2.342) 6.537 29.278 ( -5.290 -0.384 -4.605) 7.024 29.378 ( 5.631 0.681 -0.885) 5.740 29.436 ( 0.420 1.007 -1.561) 1.905 29.599 ( -3.768 -3.738 -2.287) 5.779 29.608 ( -5.014 -2.231 0.951) 5.570 30.330 ( 5.610 17.913 0.554) 18.779 30.340 ( 1.759 11.754 1.126) 11.938 30.375 ( -2.927 13.102 3.022) 13.761 30.494 ( -9.225 17.596 -0.052) 19.867 30.759 ( 2.472 -6.908 1.940) 7.589 30.802 ( -1.961 -6.781 4.527) 8.385 30.981 ( 7.348 -10.095 -3.530) 12.975 31.144 ( -8.743 -11.886 -3.172) 15.092 33.035 ( 8.618 3.068 2.328) 9.439 33.191 ( -0.148 -0.651 1.559) 1.696 33.215 ( -5.045 -0.424 2.412) 5.608 33.272 ( -1.254 -0.526 -1.196) 1.811 33.402 ( 0.801 0.722 3.465) 3.629 33.513 ( -7.524 2.507 0.043) 7.931 33.534 ( 8.947 -5.968 -1.145) 10.815 33.725 ( -9.963 -8.169 -3.050) 13.240 36.745 ( 7.831 8.679 0.029) 11.689 36.760 ( 6.663 4.922 -0.298) 8.290 36.897 ( -5.150 1.595 -0.712) 5.438 36.902 ( -5.738 1.548 -0.685) 5.983 37.458 ( 4.679 -5.450 1.032) 7.257 37.518 ( 1.686 -4.707 -2.237) 5.477 37.565 ( 4.495 -7.390 -1.898) 8.855 37.695 ( -6.093 -7.267 -5.440) 10.933 38.285 ( 4.924 2.514 6.424) 8.476 38.381 ( -5.225 2.021 7.682) 9.508 38.458 ( 2.136 -4.437 5.022) 7.033 38.502 ( -2.352 -2.583 5.012) 6.109 39.077 ( 4.519 4.895 -4.461) 8.018 39.151 ( -2.157 6.418 -6.660) 9.497 39.207 ( 6.238 -0.505 -6.891) 9.308 39.348 ( -7.169 -3.089 -7.896) 11.103 39.796 ( 5.073 3.316 3.983) 7.252 39.877 ( -2.898 3.153 3.905) 5.796 39.908 ( 3.781 -1.044 2.941) 4.902 39.981 ( -3.548 -0.691 1.731) 4.008 40.512 ( 6.211 0.028 -1.746) 6.452 40.605 ( -0.465 -1.897 -0.571) 2.035 40.636 ( -1.252 -2.133 -0.603) 2.546 40.701 ( -4.914 -3.182 -2.845) 6.509 41.883 ( 2.559 0.883 2.801) 3.895 41.938 ( -2.512 0.944 1.861) 3.266 41.965 ( 1.949 -2.847 1.534) 3.776 42.034 ( -4.784 -3.051 3.306) 6.567 42.370 ( 0.977 4.700 -0.485) 4.825 42.394 ( -1.444 4.563 -0.131) 4.788 42.548 ( 1.740 -3.823 -3.539) 5.492 42.583 ( -1.920 -4.236 -1.953) 5.045 83.394 ( 2.037 2.682 4.461) 5.590 83.435 ( -2.113 2.923 5.584) 6.648 83.531 ( 3.600 -3.728 6.158) 8.048 83.604 ( -3.782 -5.421 8.250) 10.571 84.061 ( 1.150 5.996 -2.057) 6.442 84.073 ( -0.882 3.988 -2.658) 4.872 84.231 ( 5.363 -3.205 -2.094) 6.590 84.346 ( -6.209 -6.652 2.282) 9.381 88.159 ( 6.619 5.178 1.839) 8.602 88.226 ( 4.408 3.818 3.504) 6.803 88.258 ( 4.180 1.511 2.446) 5.073 88.421 ( -6.948 -3.975 1.466) 8.137 89.027 ( 1.617 -2.189 -2.316) 3.574 89.051 ( -0.697 -0.283 -3.279) 3.364 89.085 ( 5.216 -4.137 -4.620) 8.104 89.173 ( -4.112 -3.551 -3.384) 6.401 92.991 ( 5.674 0.813 0.857) 5.796 93.020 ( 4.436 -0.399 0.921) 4.548 93.084 ( -3.399 0.239 -0.792) 3.498 93.096 ( -3.764 -0.086 -0.801) 3.849 94.189 ( 1.990 7.210 2.960) 8.044 94.234 ( -2.706 0.582 5.918) 6.533 94.694 ( 11.494 -24.536 -8.113) 28.284 94.863 ( -6.927 -25.487 -6.882) 27.293 97.291 ( 3.472 14.299 2.365) 14.903 97.298 ( 2.912 13.770 2.162) 14.239 97.645 ( -0.602 10.160 -3.909) 10.903 97.679 ( -3.180 7.534 -4.052) 9.126 97.865 ( 5.721 -7.569 0.209) 9.490 97.915 ( -0.134 -4.580 -1.357) 4.779 98.087 ( -3.483 -6.640 -1.753) 7.700 98.123 ( -6.990 -5.272 -2.259) 9.042 ======================= Grid point 70 (29/48) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 0.000 -19.702 12.304) 23.228 2.342 ( 0.000 19.702 12.304) 23.228 2.683 ( 0.000 -14.862 14.296) 20.621 2.683 ( 0.000 14.862 14.296) 20.621 3.127 ( 0.000 -22.617 11.781) 25.501 3.127 ( 0.000 22.617 11.781) 25.501 3.605 ( 0.000 -18.591 -1.640) 18.663 3.605 ( 0.000 18.591 -1.640) 18.663 3.869 ( 0.000 -6.852 -4.888) 8.417 3.869 ( 0.000 6.852 -4.888) 8.417 4.013 ( 0.000 -4.462 -3.007) 5.380 4.013 ( 0.000 4.462 -3.007) 5.380 4.210 ( 0.000 -3.002 -9.631) 10.088 4.210 ( 0.000 3.002 -9.631) 10.088 4.527 ( 0.000 -1.916 -0.280) 1.936 4.527 ( 0.000 1.916 -0.280) 1.936 4.638 ( 0.000 -9.428 -3.036) 9.904 4.638 ( 0.000 9.428 -3.036) 9.904 5.149 ( 0.000 -4.367 7.582) 8.749 5.149 ( 0.000 4.367 7.582) 8.749 5.238 ( 0.000 -10.121 -3.646) 10.757 5.238 ( 0.000 10.121 -3.646) 10.757 5.279 ( 0.000 -1.489 1.270) 1.957 5.279 ( 0.000 1.489 1.270) 1.957 5.658 ( 0.000 -13.099 4.904) 13.987 5.658 ( 0.000 13.099 4.904) 13.987 6.001 ( 0.000 -4.903 -7.034) 8.574 6.001 ( 0.000 4.903 -7.034) 8.574 6.158 ( 0.000 -3.830 -1.504) 4.115 6.158 ( 0.000 3.830 -1.504) 4.115 6.743 ( 0.000 -2.978 -3.133) 4.323 6.743 ( 0.000 2.978 -3.133) 4.323 6.892 ( 0.000 -7.931 -3.115) 8.521 6.892 ( 0.000 7.931 -3.115) 8.521 6.988 ( 0.000 -0.530 -2.402) 2.460 6.988 ( 0.000 0.530 -2.402) 2.460 7.479 ( 0.000 -6.129 -7.286) 9.521 7.479 ( 0.000 6.129 -7.286) 9.521 7.764 ( 0.000 -4.327 -8.647) 9.669 7.764 ( 0.000 4.327 -8.647) 9.669 8.042 ( 0.000 -5.849 -6.772) 8.949 8.042 ( 0.000 5.849 -6.772) 8.949 8.485 ( 0.000 -1.450 -6.650) 6.806 8.485 ( 0.000 1.450 -6.650) 6.806 8.711 ( 0.000 -3.732 15.655) 16.094 8.711 ( 0.000 3.732 15.655) 16.094 9.203 ( 0.000 -1.186 14.521) 14.570 9.203 ( 0.000 1.186 14.521) 14.570 9.972 ( 0.000 -2.159 -0.745) 2.283 9.972 ( 0.000 2.159 -0.745) 2.283 10.339 ( 0.000 -4.462 2.833) 5.285 10.339 ( 0.000 4.462 2.833) 5.285 10.595 ( 0.000 -3.856 4.009) 5.562 10.595 ( 0.000 3.856 4.009) 5.562 10.659 ( 0.000 -0.210 7.966) 7.969 10.659 ( 0.000 0.210 7.966) 7.969 11.285 ( 0.000 -2.766 -0.262) 2.778 11.285 ( 0.000 2.766 -0.262) 2.778 11.439 ( 0.000 -4.586 1.875) 4.955 11.439 ( 0.000 4.586 1.875) 4.955 11.647 ( 0.000 -3.603 -8.374) 9.116 11.647 ( 0.000 3.603 -8.374) 9.116 11.792 ( 0.000 -3.598 -3.295) 4.879 11.792 ( 0.000 3.598 -3.295) 4.879 11.962 ( 0.000 -2.696 4.496) 5.243 11.962 ( 0.000 2.696 4.496) 5.243 12.300 ( 0.000 -5.976 -2.524) 6.487 12.300 ( 0.000 5.976 -2.524) 6.487 12.542 ( 0.000 -2.225 2.917) 3.668 12.542 ( 0.000 2.225 2.917) 3.668 12.769 ( 0.000 -3.877 -4.745) 6.127 12.769 ( 0.000 3.877 -4.745) 6.127 13.342 ( 0.000 -4.149 4.666) 6.243 13.342 ( 0.000 4.149 4.666) 6.243 13.852 ( 0.000 -10.170 9.059) 13.619 13.852 ( 0.000 10.170 9.059) 13.619 14.009 ( 0.000 -1.787 -11.334) 11.474 14.009 ( 0.000 1.787 -11.334) 11.474 14.249 ( 0.000 -4.067 -3.375) 5.285 14.249 ( 0.000 4.067 -3.375) 5.285 14.746 ( 0.000 -5.458 7.887) 9.591 14.746 ( 0.000 5.458 7.887) 9.591 14.976 ( 0.000 -1.680 4.266) 4.585 14.976 ( 0.000 1.680 4.266) 4.585 15.246 ( 0.000 -7.004 -5.269) 8.765 15.246 ( 0.000 7.004 -5.269) 8.765 15.361 ( 0.000 -0.517 -0.371) 0.636 15.361 ( 0.000 0.517 -0.371) 0.636 15.677 ( 0.000 -0.514 -3.244) 3.284 15.677 ( 0.000 0.514 -3.244) 3.284 15.780 ( 0.000 -3.889 -3.500) 5.232 15.780 ( 0.000 3.889 -3.500) 5.232 15.933 ( 0.000 -1.025 1.346) 1.692 15.933 ( 0.000 1.025 1.346) 1.692 16.014 ( 0.000 -1.484 -2.589) 2.984 16.014 ( 0.000 1.484 -2.589) 2.984 16.867 ( 0.000 -4.691 -3.611) 5.920 16.867 ( 0.000 4.691 -3.611) 5.920 16.967 ( 0.000 -4.777 -5.778) 7.497 16.967 ( 0.000 4.777 -5.778) 7.497 17.262 ( 0.000 -2.873 6.000) 6.653 17.262 ( 0.000 2.873 6.000) 6.653 17.525 ( 0.000 -1.304 7.577) 7.688 17.525 ( 0.000 1.304 7.577) 7.688 17.595 ( 0.000 -1.884 2.697) 3.290 17.595 ( 0.000 1.884 2.697) 3.290 17.866 ( 0.000 -0.520 1.178) 1.287 17.866 ( 0.000 0.520 1.178) 1.287 17.953 ( 0.000 -2.488 -2.791) 3.739 17.953 ( 0.000 2.488 -2.791) 3.739 18.249 ( 0.000 -2.127 -1.652) 2.693 18.249 ( 0.000 2.127 -1.652) 2.693 22.196 ( 0.000 -2.587 0.618) 2.660 22.196 ( 0.000 2.587 0.618) 2.660 22.320 ( 0.000 -3.655 -2.974) 4.712 22.320 ( 0.000 3.655 -2.974) 4.712 22.485 ( 0.000 -2.217 2.302) 3.196 22.485 ( 0.000 2.217 2.302) 3.196 22.593 ( 0.000 -1.921 -0.281) 1.942 22.593 ( 0.000 1.921 -0.281) 1.942 24.278 ( 0.000 -6.672 -0.109) 6.673 24.278 ( 0.000 6.672 -0.109) 6.673 24.347 ( 0.000 -3.120 -3.046) 4.361 24.347 ( 0.000 3.120 -3.046) 4.361 24.581 ( 0.000 -3.147 5.073) 5.970 24.581 ( 0.000 3.147 5.073) 5.970 24.845 ( 0.000 -0.301 -1.873) 1.897 24.845 ( 0.000 0.301 -1.873) 1.897 25.834 ( 0.000 -4.337 3.092) 5.326 25.834 ( 0.000 4.337 3.092) 5.326 26.179 ( 0.000 -5.108 -4.279) 6.663 26.179 ( 0.000 5.108 -4.279) 6.663 26.837 ( 0.000 -8.447 1.895) 8.657 26.837 ( 0.000 8.447 1.895) 8.657 26.992 ( 0.000 -2.289 -0.655) 2.381 26.992 ( 0.000 2.289 -0.655) 2.381 27.194 ( 0.000 -9.765 0.659) 9.787 27.194 ( 0.000 9.765 0.659) 9.787 27.414 ( 0.000 -1.472 -3.483) 3.782 27.414 ( 0.000 1.472 -3.483) 3.782 27.668 ( 0.000 -7.484 3.750) 8.371 27.668 ( 0.000 7.484 3.750) 8.371 27.883 ( 0.000 -5.103 -2.100) 5.518 27.883 ( 0.000 5.103 -2.100) 5.518 28.099 ( 0.000 -0.725 5.010) 5.062 28.099 ( 0.000 0.725 5.010) 5.062 28.262 ( 0.000 -2.256 -7.771) 8.091 28.262 ( 0.000 2.256 -7.771) 8.091 28.657 ( 0.000 -2.326 6.160) 6.585 28.657 ( 0.000 2.326 6.160) 6.585 28.679 ( 0.000 -2.999 2.661) 4.009 28.679 ( 0.000 2.999 2.661) 4.009 28.825 ( 0.000 -2.055 0.867) 2.230 28.825 ( 0.000 2.055 0.867) 2.230 29.125 ( 0.000 -4.965 -0.167) 4.968 29.125 ( 0.000 4.965 -0.167) 4.968 29.524 ( 0.000 -0.531 -5.105) 5.132 29.524 ( 0.000 0.531 -5.105) 5.132 29.848 ( 0.000 -4.972 -4.722) 6.858 29.848 ( 0.000 4.972 -4.722) 6.858 30.300 ( 0.000 -1.566 2.809) 3.216 30.300 ( 0.000 1.566 2.809) 3.216 30.707 ( 0.000 -3.226 -2.702) 4.208 30.707 ( 0.000 3.226 -2.702) 4.208 30.805 ( 0.000 -0.769 3.312) 3.400 30.805 ( 0.000 0.769 3.312) 3.400 31.165 ( 0.000 -10.782 -2.831) 11.147 31.165 ( 0.000 10.782 -2.831) 11.147 32.835 ( 0.000 -5.705 4.403) 7.206 32.835 ( 0.000 5.705 4.403) 7.206 33.261 ( 0.000 -6.425 -4.740) 7.984 33.261 ( 0.000 6.425 -4.740) 7.984 33.705 ( 0.000 -0.616 4.438) 4.480 33.705 ( 0.000 0.616 4.438) 4.480 33.912 ( 0.000 -3.109 -0.288) 3.122 33.912 ( 0.000 3.109 -0.288) 3.122 36.631 ( 0.000 -10.334 1.226) 10.406 36.631 ( 0.000 10.334 1.226) 10.406 36.704 ( 0.000 -13.892 -0.107) 13.892 36.704 ( 0.000 13.892 -0.107) 13.892 37.179 ( 0.000 -1.678 4.619) 4.914 37.179 ( 0.000 1.678 4.619) 4.914 37.750 ( 0.000 -5.069 -8.626) 10.005 37.750 ( 0.000 5.069 -8.626) 10.005 38.257 ( 0.000 -7.642 3.112) 8.251 38.257 ( 0.000 7.642 3.112) 8.251 38.640 ( 0.000 -3.044 2.338) 3.838 38.640 ( 0.000 3.044 2.338) 3.838 38.921 ( 0.000 -0.480 -4.464) 4.489 38.921 ( 0.000 0.480 -4.464) 4.489 39.438 ( 0.000 -4.743 -11.530) 12.468 39.438 ( 0.000 4.743 -11.530) 12.468 39.742 ( 0.000 -4.162 2.940) 5.095 39.742 ( 0.000 4.162 2.940) 5.095 39.817 ( 0.000 -2.341 0.963) 2.531 39.817 ( 0.000 2.341 0.963) 2.531 40.513 ( 0.000 -5.856 6.081) 8.442 40.513 ( 0.000 5.856 6.081) 8.442 40.773 ( 0.000 -4.215 3.485) 5.470 40.773 ( 0.000 4.215 3.485) 5.470 41.879 ( 0.000 -1.797 -2.936) 3.442 41.879 ( 0.000 1.797 -2.936) 3.442 42.137 ( 0.000 -6.503 -1.145) 6.603 42.137 ( 0.000 6.503 -1.145) 6.603 42.457 ( 0.000 -4.118 0.207) 4.124 42.457 ( 0.000 4.118 0.207) 4.124 42.535 ( 0.000 -6.624 1.443) 6.780 42.535 ( 0.000 6.624 1.443) 6.780 83.367 ( 0.000 -1.888 2.818) 3.392 83.367 ( 0.000 1.888 2.818) 3.392 83.589 ( 0.000 -4.282 6.757) 7.999 83.589 ( 0.000 4.282 6.757) 7.999 84.042 ( 0.000 -7.763 2.689) 8.216 84.042 ( 0.000 7.763 2.689) 8.216 84.345 ( 0.000 -12.539 6.070) 13.931 84.345 ( 0.000 12.539 6.070) 13.931 87.666 ( 0.000 -5.405 4.303) 6.909 87.666 ( 0.000 5.406 4.303) 6.909 88.336 ( 0.000 -13.435 0.697) 13.453 88.336 ( 0.000 13.435 0.697) 13.453 88.793 ( 0.000 -1.800 -3.001) 3.499 88.793 ( 0.000 1.800 -3.001) 3.499 89.179 ( 0.000 -5.918 -3.199) 6.727 89.179 ( 0.000 5.918 -3.199) 6.727 92.801 ( 0.000 -1.345 2.178) 2.560 92.801 ( 0.000 1.345 2.178) 2.560 93.135 ( 0.000 -0.338 -6.191) 6.200 93.135 ( 0.000 0.338 -6.191) 6.200 94.072 ( 0.000 -16.552 8.603) 18.654 94.072 ( 0.000 16.552 8.603) 18.654 94.566 ( 0.000 -23.315 -2.894) 23.494 94.566 ( 0.000 23.315 -2.894) 23.494 97.347 ( 0.000 -11.735 1.062) 11.783 97.347 ( 0.000 11.735 1.062) 11.783 97.370 ( 0.000 -12.721 0.758) 12.744 97.370 ( 0.000 12.721 0.758) 12.744 98.067 ( 0.000 -12.774 0.115) 12.775 98.067 ( 0.000 12.774 0.115) 12.775 98.403 ( 0.000 -3.415 -7.871) 8.580 98.403 ( 0.000 3.415 -7.871) 8.580 ======================= Grid point 72 (30/48) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 11.023 -22.988 9.033) 27.047 2.435 ( 11.023 22.988 9.033) 27.047 2.918 ( 19.286 -20.720 11.763) 30.653 2.918 ( 19.286 20.720 11.763) 30.653 3.140 ( 2.252 -19.679 8.243) 21.454 3.140 ( 2.252 19.679 8.243) 21.454 3.636 ( 3.777 -12.502 -2.879) 13.374 3.636 ( 3.777 12.502 -2.879) 13.374 3.796 ( -3.251 -11.764 -2.473) 12.453 3.796 ( -3.251 11.764 -2.473) 12.453 4.128 ( 9.564 -1.074 -3.803) 10.348 4.128 ( 9.564 1.074 -3.803) 10.348 4.291 ( 2.490 -8.486 -8.767) 12.452 4.291 ( 2.490 8.486 -8.767) 12.452 4.536 ( 3.151 -4.611 -2.122) 5.974 4.536 ( 3.151 4.611 -2.122) 5.974 4.661 ( 2.755 -7.724 -2.499) 8.573 4.661 ( 2.755 7.724 -2.499) 8.573 5.007 ( -5.839 -2.697 9.853) 11.767 5.007 ( -5.839 2.697 9.853) 11.767 5.282 ( 2.474 -2.332 1.942) 3.916 5.282 ( 2.474 2.332 1.942) 3.916 5.366 ( 3.974 -8.325 -2.637) 9.595 5.366 ( 3.974 8.325 -2.637) 9.595 5.658 ( -0.152 -3.863 2.958) 4.868 5.658 ( -0.152 3.863 2.958) 4.868 5.902 ( -14.079 -8.357 -5.234) 17.189 5.902 ( -14.079 8.357 -5.234) 17.189 6.196 ( 8.480 -9.970 2.941) 13.415 6.196 ( 8.480 9.970 2.941) 13.415 6.622 ( -8.206 -9.088 -3.115) 12.635 6.622 ( -8.206 9.088 -3.115) 12.635 6.863 ( -4.378 -2.749 -3.212) 6.086 6.863 ( -4.378 2.749 -3.212) 6.086 7.098 ( 8.306 -10.397 -3.639) 13.796 7.098 ( 8.306 10.397 -3.639) 13.796 7.419 ( -7.484 -4.517 -8.304) 12.057 7.419 ( -7.484 4.517 -8.304) 12.057 7.753 ( -0.883 -5.749 -5.215) 7.812 7.753 ( -0.883 5.749 -5.215) 7.812 8.060 ( 4.987 -4.644 -2.685) 7.324 8.060 ( 4.987 4.644 -2.685) 7.324 8.574 ( -6.885 -1.628 10.758) 12.876 8.574 ( -6.885 1.628 10.758) 12.876 8.586 ( -0.618 -3.305 -2.878) 4.426 8.586 ( -0.618 3.305 -2.878) 4.426 9.105 ( -8.116 -1.199 10.644) 13.439 9.105 ( -8.116 1.199 10.644) 13.439 9.945 ( -3.320 -0.120 1.312) 3.572 9.945 ( -3.320 0.120 1.312) 3.572 10.264 ( -4.373 -3.642 2.482) 6.209 10.264 ( -4.373 3.642 2.482) 6.209 10.572 ( -1.879 -6.096 -0.962) 6.451 10.572 ( -1.879 6.096 -0.962) 6.451 10.734 ( 3.143 -8.834 3.872) 10.144 10.734 ( 3.143 8.834 3.872) 10.144 11.218 ( -4.590 -3.679 -0.021) 5.882 11.218 ( -4.590 3.679 -0.021) 5.882 11.495 ( 3.641 -4.857 2.542) 6.581 11.495 ( 3.641 4.857 2.542) 6.581 11.596 ( -3.614 -3.962 -6.306) 8.278 11.596 ( -3.614 3.962 -6.306) 8.278 11.792 ( -0.421 -3.287 -7.897) 8.564 11.792 ( -0.421 3.287 -7.897) 8.564 12.042 ( 7.241 -6.084 5.702) 11.043 12.042 ( 7.241 6.084 5.702) 11.043 12.288 ( -1.176 -3.396 -0.380) 3.614 12.288 ( -1.176 3.396 -0.380) 3.614 12.545 ( 0.558 -1.059 2.110) 2.426 12.545 ( 0.558 1.059 2.110) 2.426 12.755 ( -1.802 -4.467 -4.016) 6.271 12.755 ( -1.802 4.467 -4.016) 6.271 13.348 ( 1.057 -5.910 5.108) 7.883 13.348 ( 1.057 5.910 5.108) 7.883 13.798 ( -5.388 -7.295 2.501) 9.407 13.798 ( -5.388 7.295 2.501) 9.407 13.896 ( -6.973 -5.542 0.291) 8.912 13.896 ( -6.973 5.542 0.291) 8.912 14.286 ( -0.859 -3.140 -4.852) 5.843 14.286 ( -0.859 3.140 -4.852) 5.843 14.763 ( 2.527 -3.086 3.746) 5.472 14.763 ( 2.527 3.086 3.746) 5.472 15.007 ( 3.220 -2.055 5.302) 6.535 15.007 ( 3.220 2.055 5.302) 6.535 15.273 ( 2.097 -6.125 -5.223) 8.319 15.273 ( 2.097 6.125 -5.223) 8.319 15.349 ( -1.050 -1.308 -0.522) 1.757 15.349 ( -1.050 1.308 -0.522) 1.757 15.696 ( 0.350 -2.133 -2.543) 3.338 15.696 ( 0.350 2.133 -2.543) 3.338 15.797 ( 3.482 -2.481 -3.434) 5.484 15.797 ( 3.482 2.481 -3.434) 5.484 15.918 ( -0.790 -2.911 1.365) 3.311 15.918 ( -0.790 2.911 1.365) 3.311 16.063 ( 3.281 -1.812 -0.218) 3.755 16.063 ( 3.281 1.812 -0.218) 3.755 16.904 ( 3.552 -2.895 -3.571) 5.809 16.904 ( 3.552 2.895 -3.571) 5.809 16.980 ( 1.304 -4.186 -4.921) 6.591 16.980 ( 1.304 4.186 -4.921) 6.591 17.273 ( 1.112 -3.024 5.780) 6.617 17.273 ( 1.112 3.024 5.780) 6.617 17.502 ( -1.672 -1.869 6.373) 6.848 17.502 ( -1.672 1.869 6.373) 6.848 17.605 ( 0.452 -2.443 1.704) 3.012 17.605 ( 0.452 2.443 1.704) 3.012 17.848 ( -1.865 -0.652 0.786) 2.127 17.848 ( -1.865 0.652 0.786) 2.127 17.954 ( 0.366 -1.422 -2.369) 2.787 17.954 ( 0.366 1.422 -2.369) 2.787 18.236 ( -1.378 -1.880 -1.823) 2.959 18.236 ( -1.378 1.880 -1.823) 2.959 22.229 ( 3.230 -2.032 0.498) 3.848 22.229 ( 3.230 2.032 0.498) 3.848 22.327 ( 0.837 -3.572 -2.245) 4.301 22.327 ( 0.837 3.572 -2.245) 4.301 22.485 ( 0.039 -2.255 1.977) 2.999 22.485 ( 0.039 2.255 1.977) 2.999 22.593 ( -0.044 -1.673 -0.477) 1.740 22.593 ( -0.044 1.673 -0.477) 1.740 24.290 ( 1.271 -6.309 0.038) 6.436 24.290 ( 1.271 6.309 0.038) 6.436 24.371 ( 2.237 -2.186 -2.897) 4.264 24.371 ( 2.237 2.186 -2.897) 4.264 24.571 ( -0.992 -2.834 4.390) 5.319 24.571 ( -0.992 2.834 4.390) 5.319 24.790 ( -5.367 -2.362 -1.397) 6.028 24.790 ( -5.367 2.362 -1.397) 6.028 25.915 ( 8.101 -4.121 2.885) 9.535 25.915 ( 8.101 4.121 2.885) 9.535 26.228 ( 5.268 -5.706 -3.849) 8.667 26.228 ( 5.268 5.706 -3.849) 8.667 26.808 ( -3.035 -8.174 3.010) 9.225 26.808 ( -3.035 8.174 3.010) 9.225 27.034 ( 3.107 -0.879 -1.765) 3.680 27.034 ( 3.107 0.879 -1.765) 3.680 27.247 ( 4.697 -8.171 -1.152) 9.495 27.247 ( 4.697 8.171 -1.152) 9.495 27.350 ( -4.361 -4.310 -1.976) 6.442 27.350 ( -4.361 4.310 -1.976) 6.442 27.693 ( 1.882 -8.462 3.292) 9.273 27.693 ( 1.882 8.462 3.292) 9.273 27.916 ( 3.096 -5.152 -1.583) 6.216 27.916 ( 3.096 5.152 -1.583) 6.216 28.065 ( -3.088 -1.052 5.234) 6.168 28.065 ( -3.088 1.052 5.234) 6.168 28.276 ( 0.704 -1.316 -6.728) 6.891 28.276 ( 0.704 1.316 -6.728) 6.891 28.583 ( -5.902 -2.651 2.020) 6.777 28.583 ( -5.902 2.651 2.020) 6.777 28.645 ( -3.436 -4.090 3.026) 6.140 28.645 ( -3.436 4.090 3.026) 6.140 28.888 ( 5.202 -3.922 2.353) 6.927 28.888 ( 5.202 3.922 2.353) 6.927 29.157 ( 3.114 -3.237 0.818) 4.566 29.157 ( 3.114 3.237 0.818) 4.566 29.499 ( -2.658 -1.007 -5.983) 6.624 29.499 ( -2.658 1.007 -5.983) 6.624 29.803 ( -4.450 -4.333 -3.559) 7.159 29.803 ( -4.450 4.333 -3.559) 7.159 30.338 ( 3.813 -4.532 2.285) 6.348 30.338 ( 3.813 4.532 2.285) 6.348 30.667 ( -3.316 -7.760 -0.294) 8.444 30.667 ( -3.316 7.760 -0.294) 8.444 30.794 ( -1.316 -7.187 1.654) 7.492 30.794 ( -1.316 7.187 1.654) 7.492 31.127 ( -4.216 -12.293 -3.114) 13.364 31.127 ( -4.216 12.293 -3.114) 13.364 32.880 ( 4.549 -6.223 4.111) 8.736 32.880 ( 4.549 6.223 4.111) 8.736 33.255 ( -0.208 -5.308 -4.045) 6.677 33.255 ( -0.208 5.308 -4.045) 6.677 33.637 ( -6.755 -1.844 4.419) 8.280 33.637 ( -6.755 1.844 4.419) 8.280 33.866 ( -4.645 -4.442 -0.881) 6.487 33.866 ( -4.645 4.442 -0.881) 6.487 36.696 ( 5.973 -11.502 0.591) 12.974 36.696 ( 5.973 11.502 0.591) 12.974 36.740 ( 3.510 -13.070 0.070) 13.533 36.740 ( 3.510 13.070 0.070) 13.533 37.205 ( 2.859 -2.249 4.085) 5.469 37.205 ( 2.859 2.249 4.085) 5.469 37.728 ( -2.319 -5.595 -8.298) 10.273 37.728 ( -2.319 5.595 -8.298) 10.273 38.268 ( 1.153 -7.205 3.590) 8.132 38.268 ( 1.153 7.205 3.590) 8.132 38.603 ( -3.535 -1.345 4.338) 5.755 38.603 ( -3.535 1.345 4.338) 5.755 38.953 ( 3.399 -1.000 -5.218) 6.307 38.953 ( 3.399 1.000 -5.218) 6.307 39.421 ( -1.885 -5.318 -10.859) 12.237 39.421 ( -1.885 5.318 -10.859) 12.237 39.746 ( 0.962 -3.920 3.547) 5.373 39.746 ( 0.962 3.920 3.547) 5.373 39.873 ( 4.808 -1.865 -0.054) 5.158 39.873 ( 4.808 1.865 -0.054) 5.158 40.499 ( -1.213 -5.778 5.105) 7.805 40.499 ( -1.213 5.778 5.105) 7.805 40.764 ( -1.106 -3.755 2.698) 4.754 40.764 ( -1.106 3.755 2.698) 4.754 41.874 ( -0.321 -1.874 -1.921) 2.703 41.874 ( -0.321 1.874 -1.921) 2.703 42.118 ( -2.072 -5.626 -0.094) 5.996 42.118 ( -2.072 5.626 -0.094) 5.996 42.450 ( -0.508 -3.866 -0.509) 3.932 42.450 ( -0.508 3.866 -0.509) 3.932 42.531 ( -0.516 -6.017 0.847) 6.098 42.531 ( -0.516 6.017 0.847) 6.098 83.377 ( 1.125 -2.076 2.855) 3.705 83.377 ( 1.125 2.076 2.855) 3.705 83.580 ( -0.964 -4.331 7.100) 8.372 83.580 ( -0.964 4.331 7.100) 8.372 84.051 ( 1.032 -6.198 1.231) 6.403 84.051 ( 1.032 6.198 1.231) 6.403 84.326 ( -1.846 -10.875 5.184) 12.188 84.326 ( -1.846 10.875 5.184) 12.188 87.803 ( 12.821 -8.027 2.865) 15.396 87.803 ( 12.821 8.027 2.865) 15.396 88.327 ( -0.587 -12.853 0.824) 12.893 88.327 ( -0.587 12.853 0.824) 12.893 88.839 ( 4.324 -2.050 -2.539) 5.418 88.839 ( 4.324 2.050 -2.539) 5.418 89.173 ( -0.701 -5.610 -3.251) 6.521 89.173 ( -0.701 5.610 -3.251) 6.521 92.831 ( 3.076 -1.359 2.122) 3.976 92.831 ( 3.076 1.359 2.122) 3.976 93.139 ( 0.264 -0.760 -5.209) 5.271 93.139 ( 0.264 0.760 -5.209) 5.271 94.116 ( 4.427 -11.887 6.788) 14.387 94.116 ( 4.427 11.887 6.788) 14.387 94.550 ( -1.668 -22.593 -2.851) 22.834 94.550 ( -1.668 22.593 -2.851) 22.834 97.383 ( 3.645 -12.021 1.105) 12.610 97.383 ( 3.645 12.021 1.105) 12.610 97.399 ( 3.100 -12.752 0.953) 13.158 97.399 ( 3.100 12.752 0.953) 13.158 98.042 ( -2.505 -12.463 -0.291) 12.716 98.042 ( -2.505 12.463 -0.291) 12.716 98.335 ( -6.811 -4.732 -7.173) 10.965 98.335 ( -6.811 4.732 -7.173) 10.965 ======================= Grid point 74 (31/48) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 16.947 -18.951 5.663) 26.047 2.719 ( 16.947 18.951 5.663) 26.047 3.106 ( 1.739 -9.218 5.373) 10.810 3.106 ( 1.739 9.218 5.373) 10.810 3.318 ( 11.988 -14.248 6.159) 19.612 3.318 ( 11.988 14.248 6.159) 19.612 3.702 ( -0.838 -13.102 -6.294) 14.559 3.702 ( -0.838 13.102 -6.294) 14.559 3.871 ( 14.415 -7.708 -8.115) 18.250 3.871 ( 14.415 7.708 -8.115) 18.250 4.189 ( -3.336 -4.256 -10.174) 11.522 4.189 ( -3.336 4.256 -10.174) 11.522 4.408 ( 15.228 -2.594 3.257) 15.787 4.408 ( 15.228 2.594 3.257) 15.787 4.571 ( -4.012 -10.340 0.929) 11.130 4.571 ( -4.012 10.340 0.929) 11.130 4.780 ( 7.863 -5.165 2.215) 9.664 4.780 ( 7.863 5.165 2.215) 9.664 4.984 ( 1.981 -6.548 4.796) 8.355 4.984 ( 1.981 6.548 4.796) 8.355 5.316 ( -2.203 -5.190 -3.554) 6.665 5.316 ( -2.203 5.190 -3.554) 6.665 5.397 ( 2.797 -2.349 0.752) 3.730 5.397 ( 2.797 2.349 0.752) 3.730 5.625 ( -4.228 -11.826 0.612) 12.574 5.625 ( -4.228 11.826 0.612) 12.574 5.699 ( -0.747 -4.063 6.504) 7.705 5.699 ( -0.747 4.063 6.504) 7.705 6.267 ( -8.019 -5.034 -4.782) 10.607 6.267 ( -8.019 5.034 -4.782) 10.607 6.507 ( -1.778 -3.606 0.559) 4.060 6.507 ( -1.778 3.606 0.559) 4.060 6.791 ( -2.100 -2.988 -3.889) 5.335 6.791 ( -2.100 2.988 -3.889) 5.335 7.219 ( 3.687 -6.249 1.073) 7.334 7.219 ( 3.687 6.249 1.073) 7.334 7.293 ( -0.746 -5.322 2.095) 5.767 7.293 ( -0.746 5.322 2.095) 5.767 7.682 ( -10.012 -5.448 8.628) 14.296 7.682 ( -10.012 5.448 8.628) 14.296 8.170 ( -1.554 -3.015 2.437) 4.176 8.170 ( -1.554 3.015 2.437) 4.176 8.324 ( -2.642 -3.683 2.311) 5.088 8.324 ( -2.642 3.683 2.311) 5.088 8.613 ( -3.279 -2.873 -10.323) 11.206 8.613 ( -3.279 2.873 -10.323) 11.206 8.968 ( -6.332 -0.444 3.064) 7.048 8.968 ( -6.332 0.444 3.064) 7.048 9.884 ( -1.095 -4.792 3.773) 6.197 9.884 ( -1.095 4.792 3.773) 6.197 10.231 ( -0.074 -4.998 -0.881) 5.076 10.231 ( -0.074 4.998 -0.881) 5.076 10.492 ( -6.692 -5.665 -6.429) 10.872 10.492 ( -6.692 5.665 -6.429) 10.872 10.693 ( -6.717 -3.996 -1.516) 7.961 10.693 ( -6.717 3.996 -1.516) 7.961 11.215 ( 4.693 -5.724 -2.440) 7.793 11.215 ( 4.693 5.724 -2.440) 7.793 11.505 ( -2.717 -3.993 -1.522) 5.064 11.505 ( -2.717 3.993 -1.522) 5.064 11.552 ( -0.473 -4.923 -1.719) 5.236 11.552 ( -0.473 4.923 -1.719) 5.236 11.771 ( -2.582 -1.929 -11.427) 11.873 11.771 ( -2.582 1.929 -11.427) 11.873 12.192 ( 7.837 -5.501 6.801) 11.745 12.192 ( 7.837 5.501 6.801) 11.745 12.277 ( 0.781 -1.572 3.689) 4.085 12.277 ( 0.781 1.572 3.689) 4.085 12.558 ( 0.443 -1.906 -0.034) 1.957 12.558 ( 0.443 1.906 -0.034) 1.957 12.693 ( -4.469 -5.686 -1.466) 7.379 12.693 ( -4.469 5.686 -1.466) 7.379 13.397 ( 4.322 -8.433 4.896) 10.666 13.397 ( 4.322 8.433 4.896) 10.666 13.720 ( -2.093 -6.863 2.651) 7.649 13.720 ( -2.093 6.863 2.651) 7.649 13.785 ( -4.588 -6.394 3.884) 8.776 13.785 ( -4.588 6.394 3.884) 8.776 14.181 ( -9.071 -3.653 -1.487) 9.892 14.181 ( -9.071 3.653 -1.487) 9.892 14.847 ( 5.824 -3.605 -1.009) 6.923 14.847 ( 5.824 3.605 -1.009) 6.923 15.064 ( 1.621 -2.581 3.977) 5.011 15.064 ( 1.621 2.581 3.977) 5.011 15.297 ( 0.433 -3.290 -4.208) 5.359 15.297 ( 0.433 3.290 -4.208) 5.359 15.334 ( -0.372 -0.671 -1.257) 1.473 15.334 ( -0.372 0.671 -1.257) 1.473 15.705 ( 1.545 -4.344 -0.515) 4.640 15.705 ( 1.545 4.344 -0.515) 4.640 15.863 ( 0.428 -1.330 -0.863) 1.642 15.863 ( 0.428 1.330 -0.863) 1.642 15.932 ( 3.858 -2.872 1.352) 4.996 15.932 ( 3.858 2.872 1.352) 4.996 16.100 ( 0.415 -1.812 1.762) 2.561 16.100 ( 0.415 1.812 1.762) 2.561 16.970 ( 2.769 -1.918 -2.701) 4.318 16.970 ( 2.769 1.918 -2.701) 4.318 17.021 ( 2.790 -2.248 -3.582) 5.067 17.021 ( 2.790 2.248 -3.582) 5.067 17.304 ( 2.321 -2.623 4.543) 5.737 17.304 ( 2.321 2.623 4.543) 5.737 17.474 ( -1.429 -3.565 4.387) 5.831 17.474 ( -1.429 3.565 4.387) 5.831 17.603 ( -0.321 -4.730 0.849) 4.816 17.603 ( -0.321 4.730 0.849) 4.816 17.797 ( -3.638 -0.059 1.469) 3.924 17.797 ( -3.638 0.059 1.469) 3.924 17.982 ( 2.884 -1.166 -3.449) 4.645 17.982 ( 2.884 1.166 -3.449) 4.645 18.199 ( -2.527 -1.311 -2.481) 3.776 18.199 ( -2.527 1.311 -2.481) 3.776 22.296 ( 3.309 -1.424 0.192) 3.607 22.296 ( 3.309 1.424 0.192) 3.607 22.353 ( 1.657 -2.647 -0.390) 3.147 22.353 ( 1.657 2.647 -0.390) 3.147 22.491 ( 0.798 -2.441 0.672) 2.654 22.491 ( 0.798 2.441 0.672) 2.654 22.588 ( -0.636 -1.382 -0.875) 1.755 22.588 ( -0.636 1.382 -0.875) 1.755 24.329 ( 2.932 -5.454 0.403) 6.205 24.329 ( 2.932 5.454 0.403) 6.205 24.419 ( 2.560 -1.202 -2.028) 3.480 24.419 ( 2.560 1.202 -2.028) 3.480 24.543 ( -1.976 -2.303 2.692) 4.057 24.543 ( -1.976 2.303 2.692) 4.057 24.669 ( -6.872 -3.995 -0.598) 7.972 24.669 ( -6.872 3.995 -0.598) 7.972 26.111 ( 11.993 -4.015 2.819) 12.958 26.111 ( 11.993 4.015 2.819) 12.958 26.375 ( 10.027 -6.514 -3.190) 12.375 26.375 ( 10.027 6.514 -3.190) 12.375 26.720 ( -6.409 -7.809 3.796) 10.792 26.720 ( -6.409 7.809 3.796) 10.792 27.010 ( -7.024 -3.093 -3.002) 8.241 27.010 ( -7.024 3.093 -3.002) 8.241 27.314 ( 4.941 -3.822 -1.686) 6.470 27.314 ( 4.941 3.822 -1.686) 6.470 27.383 ( 5.517 -8.732 -2.861) 10.717 27.383 ( 5.517 8.732 -2.861) 10.717 27.730 ( 2.233 -7.530 3.591) 8.636 27.730 ( 2.233 7.530 3.591) 8.636 27.970 ( 0.333 -4.709 1.401) 4.924 27.970 ( 0.333 4.709 1.401) 4.924 28.016 ( -0.039 -2.475 4.081) 4.773 28.016 ( -0.039 2.475 4.081) 4.773 28.246 ( -4.742 -0.943 -3.887) 6.203 28.246 ( -4.742 0.943 -3.887) 6.203 28.481 ( -3.460 -5.307 1.852) 6.601 28.481 ( -3.460 5.307 1.852) 6.601 28.583 ( -3.047 -4.709 -0.403) 5.623 28.583 ( -3.047 4.709 -0.403) 5.623 28.991 ( 5.710 -4.489 0.356) 7.272 28.991 ( 5.710 4.489 0.356) 7.272 29.222 ( 2.916 -1.848 2.995) 4.570 29.222 ( 2.916 1.848 2.995) 4.570 29.435 ( -3.174 -2.196 -7.908) 8.799 29.435 ( -3.174 2.196 -7.908) 8.799 29.694 ( -6.794 -2.456 -1.850) 7.458 29.694 ( -6.794 2.456 -1.850) 7.458 30.431 ( 5.676 -5.179 1.684) 7.866 30.431 ( 5.676 5.179 1.684) 7.866 30.621 ( -1.016 -9.000 2.783) 9.475 30.621 ( -1.016 9.000 2.783) 9.475 30.756 ( -2.428 -8.546 -0.621) 8.906 30.756 ( -2.428 8.546 -0.621) 8.906 31.010 ( -7.787 -15.687 -2.722) 17.723 31.010 ( -7.787 15.687 -2.722) 17.723 32.990 ( 6.615 -6.646 3.294) 9.938 32.990 ( 6.615 6.646 3.294) 9.938 33.272 ( 2.057 -3.776 -3.278) 5.407 33.272 ( 2.057 3.776 -3.278) 5.407 33.484 ( -8.313 -2.539 4.609) 9.839 33.484 ( -8.313 2.539 4.609) 9.839 33.747 ( -7.689 -5.455 -1.688) 9.577 33.747 ( -7.689 5.455 -1.688) 9.577 36.804 ( 4.538 -7.664 -0.054) 8.907 36.804 ( 4.538 7.664 -0.054) 8.907 36.822 ( 4.649 -8.396 0.197) 9.599 36.822 ( 4.649 8.396 0.197) 9.599 37.289 ( 6.092 -1.366 2.048) 6.571 37.289 ( 6.092 1.366 2.048) 6.571 37.663 ( -4.599 -6.005 -7.089) 10.366 37.663 ( -4.599 6.005 -7.089) 10.366 38.302 ( 2.579 -6.066 4.852) 8.184 38.302 ( 2.579 6.066 4.852) 8.184 38.524 ( -4.526 -1.651 6.843) 8.369 38.524 ( -4.526 1.651 6.843) 8.369 39.042 ( 5.714 -1.876 -6.121) 8.581 39.042 ( 5.714 1.876 -6.121) 8.581 39.365 ( -4.083 -5.503 -9.398) 11.631 39.365 ( -4.083 5.503 -9.398) 11.631 39.787 ( 3.355 -3.849 4.079) 6.535 39.787 ( 3.355 3.849 4.079) 6.535 39.951 ( 2.365 -3.288 0.800) 4.129 39.951 ( 2.365 3.288 0.800) 4.129 40.489 ( 0.879 -4.949 1.827) 5.348 40.489 ( 0.879 4.949 1.827) 5.348 40.725 ( -3.208 -2.756 0.587) 4.270 40.725 ( -3.208 2.756 0.587) 4.270 41.876 ( 0.764 -1.894 0.417) 2.085 41.876 ( 0.764 1.894 0.417) 2.085 42.060 ( -3.966 -3.739 1.920) 5.779 42.060 ( -3.966 3.739 1.920) 5.779 42.447 ( 0.331 -4.038 -1.791) 4.430 42.447 ( 0.331 4.038 -1.791) 4.430 42.515 ( -1.121 -5.263 -0.476) 5.402 42.515 ( -1.121 5.263 -0.476) 5.402 83.408 ( 2.167 -2.581 3.383) 4.775 83.408 ( 2.167 2.581 3.383) 4.775 83.553 ( -1.893 -4.367 7.437) 8.830 83.553 ( -1.893 4.367 7.437) 8.830 84.082 ( 2.327 -2.402 -1.458) 3.649 84.082 ( 2.327 2.402 -1.458) 3.649 84.280 ( -2.995 -8.054 2.816) 9.042 84.280 ( -2.995 8.054 2.816) 9.042 88.062 ( 12.873 -7.379 1.482) 14.912 88.062 ( 12.873 7.379 1.482) 14.912 88.324 ( 0.242 -10.433 1.980) 10.622 88.324 ( 0.242 10.433 1.980) 10.622 88.930 ( 4.838 -1.278 -2.595) 5.637 88.930 ( 4.838 1.278 -2.595) 5.637 89.148 ( -2.000 -4.800 -3.507) 6.272 89.148 ( -2.000 4.800 -3.507) 6.272 92.909 ( 5.041 -1.241 1.835) 5.506 92.909 ( 5.041 1.241 1.835) 5.506 93.133 ( -1.125 -0.844 -2.884) 3.209 93.133 ( -1.125 0.844 -2.884) 3.209 94.221 ( 6.277 -4.827 2.933) 8.444 94.221 ( 6.277 4.827 2.933) 8.444 94.504 ( -3.158 -20.525 -2.648) 20.935 94.504 ( -3.158 20.525 -2.648) 20.935 97.473 ( 5.508 -11.561 1.362) 12.878 97.473 ( 5.508 11.561 1.362) 12.878 97.481 ( 5.323 -11.750 1.531) 12.990 97.481 ( 5.323 11.750 1.531) 12.990 97.980 ( -3.781 -11.436 -1.500) 12.138 97.980 ( -3.781 11.436 -1.500) 12.138 98.170 ( -9.997 -6.767 -5.761) 13.376 98.170 ( -9.997 6.767 -5.761) 13.376 ======================= Grid point 76 (32/48) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 10.581 -10.288 3.831) 15.248 2.992 ( 10.581 10.288 3.831) 15.248 3.105 ( -2.169 -6.142 2.689) 7.047 3.105 ( -2.169 6.142 2.689) 7.047 3.479 ( 7.034 -19.174 3.413) 20.707 3.479 ( 7.034 19.174 3.413) 20.707 3.616 ( -7.121 -15.784 -1.540) 17.384 3.616 ( -7.121 15.784 -1.540) 17.384 4.103 ( 9.501 -8.726 -9.465) 16.000 4.103 ( 9.501 8.726 -9.465) 16.000 4.301 ( -1.602 -3.711 -5.582) 6.892 4.301 ( -1.602 3.711 -5.582) 6.892 4.445 ( 7.513 -9.647 -6.580) 13.886 4.445 ( 7.513 9.647 -6.580) 13.886 4.626 ( 2.251 -9.816 0.771) 10.100 4.626 ( 2.251 9.816 0.771) 10.100 4.874 ( 3.307 -8.432 2.662) 9.441 4.874 ( 3.307 8.432 2.662) 9.441 4.970 ( -5.431 -1.892 0.589) 5.781 4.970 ( -5.431 1.892 0.589) 5.781 5.276 ( 2.253 -4.466 -8.036) 9.466 5.276 ( 2.253 4.466 -8.036) 9.466 5.385 ( -6.735 -6.709 -6.403) 11.462 5.385 ( -6.735 6.709 -6.403) 11.462 5.702 ( 11.917 -6.599 7.345) 15.476 5.702 ( 11.917 6.599 7.345) 15.476 5.833 ( 9.355 -5.449 9.366) 14.316 5.833 ( 9.355 5.449 9.366) 14.316 6.040 ( -5.949 -3.687 0.176) 7.001 6.040 ( -5.949 3.687 0.176) 7.001 6.320 ( -19.181 -3.287 0.763) 19.476 6.320 ( -19.181 3.287 0.763) 19.476 6.900 ( 13.492 -7.004 6.899) 16.694 6.900 ( 13.492 7.004 6.899) 16.694 7.197 ( -12.030 -5.199 10.057) 16.520 7.197 ( -12.030 5.199 10.057) 16.520 7.370 ( 5.000 -4.862 10.913) 12.951 7.370 ( 5.000 4.862 10.913) 12.951 7.435 ( -6.574 -3.493 10.508) 12.878 7.435 ( -6.574 3.493 10.508) 12.878 8.127 ( 3.646 -5.730 -0.379) 6.802 8.127 ( 3.646 5.730 -0.379) 6.802 8.291 ( -9.807 -2.062 -2.266) 10.274 8.291 ( -9.807 2.062 -2.266) 10.274 8.637 ( 9.274 -1.842 -13.176) 16.218 8.637 ( 9.274 1.842 -13.176) 16.218 8.830 ( -9.186 -0.839 -5.094) 10.537 8.830 ( -9.186 0.839 -5.094) 10.537 9.952 ( 8.299 -3.488 2.326) 9.298 9.952 ( 8.299 3.488 2.326) 9.298 10.151 ( -10.316 -2.015 -1.429) 10.608 10.151 ( -10.316 2.015 -1.429) 10.608 10.431 ( 3.154 -1.891 -6.869) 7.792 10.431 ( 3.154 1.891 -6.869) 7.792 10.548 ( -7.774 -3.249 -4.642) 9.620 10.548 ( -7.774 3.249 -4.642) 9.620 11.336 ( 6.693 -1.859 -6.249) 9.343 11.336 ( 6.693 1.859 -6.249) 9.343 11.438 ( -4.236 -5.665 -4.278) 8.267 11.438 ( -4.236 5.665 -4.278) 8.267 11.576 ( 3.577 -1.346 -2.624) 4.636 11.576 ( 3.577 1.346 -2.624) 4.636 11.680 ( -6.424 -3.604 -9.154) 11.750 11.680 ( -6.424 3.604 -9.154) 11.750 12.298 ( 3.360 -5.272 6.334) 8.899 12.298 ( 3.360 5.272 6.334) 8.899 12.319 ( 1.895 -3.081 6.270) 7.238 12.319 ( 1.895 3.081 6.270) 7.238 12.562 ( 0.856 -5.619 -1.333) 5.838 12.562 ( 0.856 5.619 -1.333) 5.838 12.611 ( -3.882 -7.132 0.012) 8.120 12.611 ( -3.882 7.132 0.012) 8.120 13.502 ( 6.484 -9.582 4.795) 12.524 13.502 ( 6.484 9.582 4.795) 12.524 13.630 ( -6.785 -10.053 6.491) 13.756 13.630 ( -6.785 10.053 6.491) 13.756 13.818 ( 6.956 -3.699 1.257) 7.978 13.818 ( 6.956 3.699 1.257) 7.978 13.989 ( -10.420 -4.188 0.883) 11.265 13.989 ( -10.420 4.188 0.883) 11.265 14.959 ( 5.696 -2.246 -1.433) 6.288 14.959 ( 5.696 2.246 -1.433) 6.288 15.047 ( -3.217 -1.160 0.330) 3.436 15.047 ( -3.217 1.160 0.330) 3.436 15.307 ( 0.821 -1.322 -2.445) 2.898 15.307 ( 0.821 1.322 -2.445) 2.898 15.324 ( -0.818 -0.954 -1.879) 2.260 15.324 ( -0.818 0.954 -1.879) 2.260 15.758 ( 3.724 -5.006 1.905) 6.524 15.758 ( 3.724 5.006 1.905) 6.524 15.827 ( -3.242 -4.282 2.363) 5.868 15.827 ( -3.242 4.282 2.363) 5.868 16.020 ( 4.284 -1.703 0.602) 4.649 16.020 ( 4.284 1.703 0.602) 4.649 16.081 ( -2.211 -0.818 1.609) 2.854 16.081 ( -2.211 0.818 1.609) 2.854 17.016 ( 2.269 -1.750 -1.898) 3.437 17.016 ( 2.269 1.750 -1.898) 3.437 17.046 ( -0.480 -0.902 -1.945) 2.197 17.046 ( -0.480 0.902 -1.945) 2.197 17.365 ( 3.928 -4.063 2.181) 6.057 17.365 ( 3.928 4.063 2.181) 6.057 17.434 ( -3.058 -5.201 2.324) 6.465 17.434 ( -3.058 5.201 2.324) 6.465 17.624 ( 3.149 -5.034 2.174) 6.324 17.624 ( 3.149 5.034 2.174) 6.324 17.711 ( -5.270 -2.356 2.418) 6.258 17.711 ( -5.270 2.356 2.418) 6.258 18.057 ( 4.656 -1.126 -4.290) 6.430 18.057 ( 4.656 1.126 -4.290) 6.430 18.140 ( -3.842 -0.942 -3.561) 5.322 18.140 ( -3.842 0.942 -3.561) 5.322 22.346 ( 2.016 -1.909 0.435) 2.810 22.346 ( 2.016 1.909 0.435) 2.810 22.369 ( -0.287 -1.572 0.884) 1.826 22.369 ( -0.287 1.572 0.884) 1.826 22.522 ( 2.388 -2.137 -0.922) 3.335 22.522 ( 2.388 2.137 -0.922) 3.335 22.565 ( -1.845 -1.538 -1.176) 2.675 22.565 ( -1.845 1.538 -1.176) 2.675 24.398 ( 4.281 -3.456 0.717) 5.549 24.398 ( 4.281 3.456 0.717) 5.549 24.456 ( 0.246 -2.795 0.168) 2.811 24.456 ( 0.246 2.795 0.168) 2.811 24.505 ( -0.984 -2.543 0.170) 2.732 24.505 ( -0.984 2.543 0.170) 2.732 24.552 ( -4.987 -3.632 -0.167) 6.172 24.552 ( -4.987 3.632 -0.167) 6.172 26.343 ( 12.231 -4.666 3.089) 13.450 26.343 ( 12.231 4.666 3.089) 13.450 26.542 ( -4.451 -6.635 1.497) 8.128 26.542 ( -4.451 6.635 1.497) 8.128 26.612 ( 6.592 -5.670 -0.670) 8.721 26.612 ( 6.592 5.670 -0.670) 8.721 26.824 ( -11.519 -6.452 -2.637) 13.464 26.824 ( -11.519 6.452 -2.637) 13.464 27.423 ( 4.771 -3.001 -3.139) 6.451 27.423 ( 4.771 3.001 -3.139) 6.451 27.456 ( 1.419 -7.048 -3.708) 8.089 27.456 ( 1.419 7.048 -3.708) 8.089 27.794 ( 5.045 -5.629 4.137) 8.617 27.794 ( 5.045 5.629 4.137) 8.617 27.906 ( -5.614 -4.576 4.440) 8.495 27.906 ( -5.614 4.576 4.440) 8.495 28.064 ( 3.087 -3.790 1.756) 5.194 28.064 ( 3.087 3.790 1.756) 5.194 28.135 ( -5.215 -2.248 0.613) 5.712 28.135 ( -5.215 2.248 0.613) 5.712 28.469 ( 1.677 -6.092 -0.105) 6.320 28.469 ( 1.677 6.092 -0.105) 6.320 28.523 ( -3.424 -4.860 -1.004) 6.030 28.523 ( -3.424 4.860 -1.004) 6.030 29.104 ( 6.186 -4.164 -2.155) 7.762 29.104 ( 6.186 4.164 -2.155) 7.762 29.210 ( -4.379 -4.057 -0.368) 5.981 29.210 ( -4.379 4.057 -0.368) 5.981 29.442 ( 4.395 -2.752 -4.287) 6.728 29.442 ( 4.395 2.752 -4.287) 6.728 29.559 ( -7.221 -1.354 -1.606) 7.520 29.559 ( -7.221 1.354 -1.606) 7.520 30.536 ( 5.126 -5.532 1.918) 7.782 30.536 ( 5.126 5.532 1.918) 7.782 30.609 ( -1.981 -9.543 4.071) 10.563 30.609 ( -1.981 9.543 4.071) 10.563 30.742 ( 2.738 -11.112 -2.273) 11.667 30.742 ( 2.738 11.112 -2.273) 11.667 30.855 ( -8.035 -16.434 -1.767) 18.378 30.855 ( -8.035 16.434 -1.767) 18.378 33.116 ( 6.897 -4.758 2.540) 8.755 33.116 ( 6.897 4.758 2.540) 8.755 33.249 ( -6.428 -2.017 0.659) 6.770 33.249 ( -6.428 2.017 0.659) 6.770 33.438 ( 5.522 -3.183 0.710) 6.413 33.438 ( 5.522 3.183 0.710) 6.413 33.588 ( -8.905 -5.197 -1.538) 10.424 33.588 ( -8.905 5.197 -1.538) 10.424 36.867 ( 2.156 -4.216 0.127) 4.737 36.867 ( 2.156 4.216 0.127) 4.737 36.879 ( 1.120 -3.125 0.112) 3.322 36.879 ( 1.120 3.125 0.112) 3.322 37.422 ( 7.560 -2.663 -1.407) 8.138 37.422 ( 7.560 2.663 -1.407) 8.138 37.558 ( -6.567 -5.262 -4.747) 9.662 37.558 ( -6.567 5.262 -4.747) 9.662 38.363 ( 3.748 -4.705 6.398) 8.782 38.363 ( 3.748 4.705 6.398) 8.782 38.440 ( -4.362 -3.347 7.388) 9.209 38.440 ( -4.362 3.347 7.388) 9.209 39.157 ( 6.340 -3.093 -6.880) 9.854 39.157 ( 6.340 3.093 -6.880) 9.854 39.272 ( -5.676 -4.525 -7.953) 10.768 39.272 ( -5.676 4.525 -7.953) 10.768 39.865 ( 4.672 -3.165 4.322) 7.108 39.865 ( 4.672 3.165 4.322) 7.108 39.943 ( -2.934 -2.994 3.464) 5.438 39.943 ( -2.934 2.994 3.464) 5.438 40.544 ( 4.746 -2.998 -1.573) 5.829 40.544 ( 4.746 2.998 -1.573) 5.829 40.644 ( -5.227 -2.159 -1.557) 5.865 40.644 ( -5.227 2.159 -1.557) 5.865 41.910 ( 2.862 -1.855 2.454) 4.202 41.910 ( 2.862 1.855 2.454) 4.202 41.979 ( -4.317 -2.324 3.006) 5.751 41.979 ( -4.317 2.324 3.006) 5.751 42.463 ( 1.270 -4.566 -2.253) 5.247 42.463 ( 1.270 4.566 -2.253) 5.247 42.490 ( -1.497 -4.894 -1.700) 5.393 42.490 ( -1.497 4.894 -1.700) 5.393 83.456 ( 2.786 -3.297 4.829) 6.477 83.456 ( 2.786 3.297 4.829) 6.477 83.509 ( -2.715 -4.016 6.597) 8.186 83.509 ( -2.715 4.016 6.597) 8.186 84.140 ( 3.749 -1.848 -2.227) 4.736 84.140 ( 3.749 1.848 -2.227) 4.736 84.215 ( -3.912 -5.248 -0.251) 6.551 84.215 ( -3.912 5.248 -0.251) 6.551 88.248 ( 6.664 -2.762 2.297) 7.571 88.248 ( 6.664 2.762 2.297) 7.571 88.320 ( -1.432 -5.444 3.096) 6.424 88.320 ( -1.432 5.444 3.096) 6.424 89.017 ( 4.492 -1.779 -3.541) 5.990 89.017 ( 4.492 1.779 -3.541) 5.990 89.095 ( -3.637 -3.706 -3.841) 6.458 89.095 ( -3.637 3.706 -3.841) 6.458 93.008 ( 5.124 -0.809 1.039) 5.291 93.008 ( 5.124 0.809 1.039) 5.291 93.091 ( -3.443 -0.386 -0.541) 3.507 93.091 ( -3.443 0.386 -0.541) 3.507 94.337 ( 5.723 -11.118 -0.293) 12.508 94.337 ( 5.723 11.118 -0.293) 12.508 94.432 ( -4.469 -16.985 -1.992) 17.676 94.432 ( -4.469 16.985 -1.992) 17.676 97.568 ( 3.790 -11.239 2.223) 12.068 97.568 ( 3.790 11.239 2.223) 12.068 97.574 ( 3.402 -11.204 2.482) 11.969 97.574 ( 3.402 11.204 2.482) 11.969 97.926 ( -0.749 -9.024 -3.557) 9.729 97.926 ( -0.749 9.024 -3.557) 9.729 97.994 ( -7.676 -7.483 -4.818) 11.753 97.994 ( -7.676 7.483 -4.818) 11.753 ======================= Grid point 98 (33/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.000 0.000 32.435) 32.435 2.103 ( 0.000 0.000 44.980) 44.980 2.164 ( 0.000 0.000 -18.825) 18.825 2.840 ( 0.000 0.000 37.642) 37.642 2.982 ( 0.000 0.000 -32.814) 32.814 3.150 ( 0.000 0.000 25.125) 25.125 3.279 ( 0.000 0.000 -14.007) 14.007 3.585 ( 0.000 0.000 -4.244) 4.244 3.611 ( 0.000 0.000 -4.938) 4.938 3.885 ( 0.000 0.000 12.643) 12.643 4.038 ( 0.000 0.000 -32.621) 32.621 4.139 ( 0.000 0.000 -10.091) 10.091 4.346 ( 0.000 0.000 6.948) 6.948 4.452 ( 0.000 0.000 -9.202) 9.202 4.546 ( 0.000 0.000 2.455) 2.455 4.660 ( 0.000 0.000 -6.384) 6.384 4.741 ( 0.000 0.000 9.152) 9.152 4.826 ( 0.000 0.000 2.697) 2.697 4.847 ( 0.000 0.000 0.427) 0.427 4.877 ( 0.000 0.000 5.948) 5.948 4.956 ( 0.000 0.000 -9.586) 9.586 5.090 ( 0.000 0.000 -12.499) 12.499 5.685 ( 0.000 0.000 5.120) 5.120 5.686 ( 0.000 0.000 5.319) 5.319 5.929 ( 0.000 0.000 1.808) 1.808 5.953 ( 0.000 0.000 12.956) 12.956 5.983 ( 0.000 0.000 15.563) 15.563 5.998 ( 0.000 0.000 -2.296) 2.296 6.246 ( 0.000 0.000 8.410) 8.410 6.416 ( 0.000 0.000 -2.747) 2.747 6.428 ( 0.000 0.000 -18.859) 18.859 6.467 ( 0.000 0.000 -17.025) 17.025 6.804 ( 0.000 0.000 7.231) 7.231 6.871 ( 0.000 0.000 0.189) 0.189 6.876 ( 0.000 0.000 -0.616) 0.616 6.953 ( 0.000 0.000 4.091) 4.091 7.095 ( 0.000 0.000 -15.732) 15.732 7.196 ( 0.000 0.000 -18.361) 18.361 7.480 ( 0.000 0.000 15.640) 15.640 7.873 ( 0.000 0.000 -19.784) 19.784 8.219 ( 0.000 0.000 11.802) 11.802 8.438 ( 0.000 0.000 4.472) 4.472 8.450 ( 0.000 0.000 -7.997) 7.997 8.536 ( 0.000 0.000 -3.941) 3.941 8.726 ( 0.000 0.000 8.449) 8.449 8.894 ( 0.000 0.000 -7.099) 7.099 9.193 ( 0.000 0.000 9.301) 9.301 9.288 ( 0.000 0.000 1.760) 1.760 9.854 ( 0.000 0.000 -1.493) 1.493 9.857 ( 0.000 0.000 -0.911) 0.911 10.172 ( 0.000 0.000 9.240) 9.240 10.320 ( 0.000 0.000 -2.081) 2.081 10.661 ( 0.000 0.000 8.650) 8.650 10.881 ( 0.000 0.000 -9.770) 9.770 10.946 ( 0.000 0.000 6.845) 6.845 10.995 ( 0.000 0.000 5.371) 5.371 11.210 ( 0.000 0.000 -2.910) 2.910 11.248 ( 0.000 0.000 -4.205) 4.205 11.349 ( 0.000 0.000 13.264) 13.264 11.624 ( 0.000 0.000 12.287) 12.287 11.723 ( 0.000 0.000 -17.792) 17.792 11.804 ( 0.000 0.000 -4.214) 4.214 11.821 ( 0.000 0.000 0.514) 0.514 11.832 ( 0.000 0.000 0.047) 0.047 11.953 ( 0.000 0.000 9.484) 9.484 12.067 ( 0.000 0.000 0.185) 0.185 12.242 ( 0.000 0.000 -2.670) 2.670 12.261 ( 0.000 0.000 -4.951) 4.951 12.622 ( 0.000 0.000 3.730) 3.730 12.742 ( 0.000 0.000 4.422) 4.422 12.756 ( 0.000 0.000 -8.916) 8.916 12.852 ( 0.000 0.000 -4.821) 4.821 13.152 ( 0.000 0.000 11.614) 11.614 13.438 ( 0.000 0.000 -14.873) 14.873 13.606 ( 0.000 0.000 8.053) 8.053 13.803 ( 0.000 0.000 -7.585) 7.585 13.866 ( 0.000 0.000 18.595) 18.595 14.094 ( 0.000 0.000 -0.636) 0.636 14.198 ( 0.000 0.000 -10.535) 10.535 14.211 ( 0.000 0.000 -8.499) 8.499 14.676 ( 0.000 0.000 12.374) 12.374 14.966 ( 0.000 0.000 -12.091) 12.091 15.044 ( 0.000 0.000 10.237) 10.237 15.173 ( 0.000 0.000 10.441) 10.441 15.267 ( 0.000 0.000 -6.932) 6.932 15.287 ( 0.000 0.000 3.502) 3.502 15.341 ( 0.000 0.000 -0.816) 0.816 15.386 ( 0.000 0.000 -10.596) 10.596 15.543 ( 0.000 0.000 -0.345) 0.345 15.556 ( 0.000 0.000 -2.737) 2.737 15.783 ( 0.000 0.000 0.919) 0.919 15.795 ( 0.000 0.000 -0.728) 0.728 15.916 ( 0.000 0.000 -4.180) 4.180 15.926 ( 0.000 0.000 -4.017) 4.017 16.087 ( 0.000 0.000 2.506) 2.506 16.089 ( 0.000 0.000 2.404) 2.404 16.584 ( 0.000 0.000 -0.171) 0.171 16.663 ( 0.000 0.000 -6.769) 6.769 17.066 ( 0.000 0.000 3.534) 3.534 17.157 ( 0.000 0.000 -4.333) 4.333 17.327 ( 0.000 0.000 4.722) 4.722 17.376 ( 0.000 0.000 0.959) 0.959 17.457 ( 0.000 0.000 6.395) 6.395 17.550 ( 0.000 0.000 6.226) 6.226 17.620 ( 0.000 0.000 -5.219) 5.219 17.638 ( 0.000 0.000 2.442) 2.442 17.718 ( 0.000 0.000 1.948) 1.948 17.761 ( 0.000 0.000 -1.948) 1.948 17.981 ( 0.000 0.000 -0.417) 0.417 18.036 ( 0.000 0.000 -3.966) 3.966 18.134 ( 0.000 0.000 7.992) 7.992 18.307 ( 0.000 0.000 -7.188) 7.188 22.099 ( 0.000 0.000 0.443) 0.443 22.128 ( 0.000 0.000 -2.201) 2.201 22.368 ( 0.000 0.000 2.399) 2.399 22.426 ( 0.000 0.000 -2.780) 2.780 22.463 ( 0.000 0.000 2.384) 2.384 22.496 ( 0.000 0.000 -0.646) 0.646 22.587 ( 0.000 0.000 0.173) 0.173 22.590 ( 0.000 0.000 -0.185) 0.185 24.053 ( 0.000 0.000 2.186) 2.186 24.118 ( 0.000 0.000 -3.823) 3.823 24.488 ( 0.000 0.000 1.470) 1.470 24.507 ( 0.000 0.000 -0.450) 0.450 24.641 ( 0.000 0.000 5.327) 5.327 24.744 ( 0.000 0.000 -4.158) 4.158 24.830 ( 0.000 0.000 0.311) 0.311 24.831 ( 0.000 0.000 0.040) 0.040 25.700 ( 0.000 0.000 0.922) 0.922 25.768 ( 0.000 0.000 -5.654) 5.654 26.153 ( 0.000 0.000 10.846) 10.846 26.381 ( 0.000 0.000 -8.949) 8.949 26.703 ( 0.000 0.000 3.475) 3.475 26.711 ( 0.000 0.000 1.719) 1.719 26.949 ( 0.000 0.000 3.664) 3.664 27.066 ( 0.000 0.000 3.118) 3.118 27.068 ( 0.000 0.000 -6.497) 6.497 27.165 ( 0.000 0.000 -5.502) 5.502 27.344 ( 0.000 0.000 -1.141) 1.141 27.371 ( 0.000 0.000 -2.870) 2.870 27.614 ( 0.000 0.000 1.427) 1.427 27.650 ( 0.000 0.000 -1.735) 1.735 27.900 ( 0.000 0.000 2.346) 2.346 27.941 ( 0.000 0.000 6.016) 6.016 27.954 ( 0.000 0.000 -1.883) 1.883 28.012 ( 0.000 0.000 0.980) 0.980 28.178 ( 0.000 0.000 6.218) 6.218 28.323 ( 0.000 0.000 -8.041) 8.041 28.612 ( 0.000 0.000 6.816) 6.816 28.731 ( 0.000 0.000 3.476) 3.476 28.775 ( 0.000 0.000 -3.238) 3.238 28.775 ( 0.000 0.000 12.881) 12.881 28.843 ( 0.000 0.000 -5.678) 5.678 28.967 ( 0.000 0.000 2.412) 2.412 29.048 ( 0.000 0.000 0.052) 0.052 29.070 ( 0.000 0.000 -13.111) 13.111 29.161 ( 0.000 0.000 6.039) 6.039 29.318 ( 0.000 0.000 -7.790) 7.790 29.683 ( 0.000 0.000 0.676) 0.676 29.748 ( 0.000 0.000 -6.206) 6.206 29.917 ( 0.000 0.000 16.628) 16.628 30.323 ( 0.000 0.000 -19.509) 19.509 30.397 ( 0.000 0.000 8.720) 8.720 30.584 ( 0.000 0.000 -8.047) 8.047 30.970 ( 0.000 0.000 8.251) 8.251 31.074 ( 0.000 0.000 -1.400) 1.400 31.392 ( 0.000 0.000 2.536) 2.536 31.447 ( 0.000 0.000 -2.413) 2.413 32.736 ( 0.000 0.000 0.891) 0.891 32.809 ( 0.000 0.000 -5.170) 5.170 33.290 ( 0.000 0.000 5.363) 5.363 33.361 ( 0.000 0.000 -0.945) 0.945 33.834 ( 0.000 0.000 9.447) 9.447 33.837 ( 0.000 0.000 9.376) 9.376 34.042 ( 0.000 0.000 -8.960) 8.960 34.051 ( 0.000 0.000 -9.777) 9.777 36.187 ( 0.000 0.000 1.852) 1.852 36.245 ( 0.000 0.000 -3.563) 3.563 37.020 ( 0.000 0.000 4.566) 4.566 37.118 ( 0.000 0.000 -4.007) 4.007 37.271 ( 0.000 0.000 5.638) 5.638 37.378 ( 0.000 0.000 -4.025) 4.025 37.579 ( 0.000 0.000 9.649) 9.649 37.776 ( 0.000 0.000 -7.184) 7.184 38.130 ( 0.000 0.000 1.336) 1.336 38.203 ( 0.000 0.000 -5.841) 5.841 38.648 ( 0.000 0.000 3.319) 3.319 38.702 ( 0.000 0.000 -0.206) 0.206 38.729 ( 0.000 0.000 -2.533) 2.533 38.755 ( 0.000 0.000 -3.713) 3.713 39.115 ( 0.000 0.000 12.496) 12.496 39.366 ( 0.000 0.000 -9.336) 9.336 39.592 ( 0.000 0.000 -0.451) 0.451 39.633 ( 0.000 0.000 -4.303) 4.303 39.917 ( 0.000 0.000 1.583) 1.583 39.942 ( 0.000 0.000 -0.792) 0.792 40.510 ( 0.000 0.000 11.786) 11.786 40.778 ( 0.000 0.000 -11.826) 11.826 40.874 ( 0.000 0.000 5.712) 5.712 40.875 ( 0.000 0.000 5.146) 5.146 41.855 ( 0.000 0.000 -2.649) 2.649 41.885 ( 0.000 0.000 -5.590) 5.590 42.001 ( 0.000 0.000 11.554) 11.554 42.243 ( 0.000 0.000 3.234) 3.234 42.288 ( 0.000 0.000 -13.355) 13.355 42.298 ( 0.000 0.000 -1.669) 1.669 42.745 ( 0.000 0.000 12.540) 12.540 42.984 ( 0.000 0.000 -9.091) 9.091 83.430 ( 0.000 0.000 6.709) 6.709 83.589 ( 0.000 0.000 5.823) 5.823 83.613 ( 0.000 0.000 -9.971) 9.971 83.631 ( 0.000 0.000 8.118) 8.118 83.706 ( 0.000 0.000 -4.556) 4.556 83.816 ( 0.000 0.000 -8.234) 8.234 85.198 ( 0.000 0.000 23.364) 23.364 85.722 ( 0.000 0.000 -24.084) 24.084 87.933 ( 0.000 0.000 2.029) 2.029 87.954 ( 0.000 0.000 0.654) 0.654 88.000 ( 0.000 0.000 18.000) 18.000 88.374 ( 0.000 0.000 -15.823) 15.823 88.723 ( 0.000 0.000 4.798) 4.798 88.861 ( 0.000 0.000 -7.069) 7.069 89.466 ( 0.000 0.000 2.186) 2.186 89.502 ( 0.000 0.000 -0.882) 0.882 92.834 ( 0.000 0.000 5.043) 5.043 92.932 ( 0.000 0.000 4.528) 4.528 92.971 ( 0.000 0.000 -7.429) 7.429 93.053 ( 0.000 0.000 -6.423) 6.423 93.648 ( 0.000 0.000 3.424) 3.424 93.701 ( 0.000 0.000 -1.487) 1.487 95.279 ( 0.000 0.000 21.545) 21.545 95.723 ( 0.000 0.000 -18.020) 18.020 96.773 ( 0.000 0.000 0.063) 0.063 96.775 ( 0.000 0.000 -0.054) 0.054 97.191 ( 0.000 0.000 3.072) 3.072 97.274 ( 0.000 0.000 -4.359) 4.359 97.759 ( 0.000 0.000 1.019) 1.019 97.782 ( 0.000 0.000 -1.093) 1.093 98.458 ( 0.000 0.000 0.186) 0.186 98.464 ( 0.000 0.000 -0.366) 0.366 ======================= Grid point 99 (34/48) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 12.097 0.000 30.052) 32.396 2.113 ( 5.949 0.000 30.232) 30.812 2.304 ( 12.223 0.000 -13.500) 18.212 2.889 ( 4.337 0.000 26.310) 26.665 2.895 ( -4.429 0.000 -25.008) 25.397 3.329 ( 1.166 0.000 -19.964) 19.998 3.420 ( 23.294 0.000 27.228) 35.832 3.633 ( 2.129 0.000 0.663) 2.230 3.660 ( 5.306 0.000 -4.849) 7.188 3.865 ( 2.679 0.000 5.471) 6.092 3.994 ( -11.007 0.000 -6.676) 12.873 4.112 ( 6.760 0.000 -21.464) 22.504 4.379 ( -3.031 0.000 -1.748) 3.499 4.381 ( -5.557 0.000 1.910) 5.876 4.503 ( -5.620 0.000 -1.259) 5.759 4.509 ( -8.570 0.000 0.163) 8.572 4.699 ( 1.924 0.000 7.473) 7.717 4.874 ( 15.353 0.000 -9.003) 17.798 4.991 ( 8.065 0.000 1.390) 8.184 5.074 ( -2.110 0.000 -9.070) 9.312 5.133 ( 21.004 0.000 4.954) 21.580 5.236 ( 15.530 0.000 -3.451) 15.909 5.640 ( -4.206 0.000 4.194) 5.940 5.644 ( -3.423 0.000 3.972) 5.243 5.746 ( -11.888 0.000 13.634) 18.089 5.885 ( -3.630 0.000 4.449) 5.743 6.048 ( 2.872 0.000 3.685) 4.672 6.127 ( 2.794 0.000 4.960) 5.693 6.262 ( -6.862 0.000 -8.261) 10.739 6.296 ( 1.664 0.000 6.197) 6.416 6.459 ( -3.574 0.000 -15.443) 15.852 6.587 ( 10.954 0.000 -8.748) 14.019 6.658 ( -4.321 0.000 1.774) 4.671 6.780 ( -1.242 0.000 -3.856) 4.051 6.785 ( -7.959 0.000 1.553) 8.109 6.928 ( -20.772 0.000 -13.774) 24.923 7.145 ( 16.948 0.000 1.949) 17.060 7.229 ( 9.766 0.000 -6.117) 11.523 7.670 ( 13.012 0.000 10.230) 16.552 8.002 ( 8.410 0.000 -17.738) 19.631 8.143 ( -6.323 0.000 9.409) 11.336 8.371 ( -8.201 0.000 -9.835) 12.806 8.420 ( -2.954 0.000 3.855) 4.857 8.493 ( -9.068 0.000 -0.360) 9.075 8.736 ( -5.374 0.000 1.649) 5.621 8.740 ( 2.030 0.000 3.241) 3.824 9.152 ( -13.534 0.000 12.983) 18.754 9.258 ( -6.125 0.000 3.075) 6.853 9.808 ( -0.661 0.000 -1.399) 1.548 9.812 ( -1.406 0.000 -2.300) 2.696 10.182 ( -0.306 0.000 7.833) 7.839 10.331 ( 1.037 0.000 -5.448) 5.546 10.649 ( -1.708 0.000 8.540) 8.709 10.832 ( -6.663 0.000 -3.025) 7.318 10.838 ( -14.032 0.000 5.474) 15.062 10.893 ( -5.089 0.000 -4.661) 6.901 11.160 ( -8.527 0.000 -3.751) 9.316 11.171 ( -2.667 0.000 -6.102) 6.659 11.372 ( 1.100 0.000 12.137) 12.187 11.629 ( -2.263 0.000 0.476) 2.312 11.656 ( -10.497 0.000 0.262) 10.500 11.658 ( -7.568 0.000 -1.265) 7.673 11.739 ( -2.821 0.000 -6.575) 7.155 11.841 ( -3.425 0.000 -6.042) 6.945 12.006 ( 5.374 0.000 4.353) 6.916 12.036 ( 0.803 0.000 0.528) 0.961 12.289 ( 2.113 0.000 0.735) 2.237 12.308 ( 2.619 0.000 -1.731) 3.139 12.635 ( 1.579 0.000 4.322) 4.601 12.775 ( 2.973 0.000 4.449) 5.351 12.788 ( 3.385 0.000 -8.770) 9.401 12.873 ( 2.149 0.000 -4.239) 4.752 13.231 ( 6.904 0.000 12.098) 13.929 13.499 ( 6.018 0.000 -12.462) 13.839 13.588 ( -2.454 0.000 7.796) 8.173 13.739 ( -5.980 0.000 -5.348) 8.022 13.909 ( 4.684 0.000 16.244) 16.906 14.102 ( -0.134 0.000 1.506) 1.512 14.231 ( 2.977 0.000 -10.113) 10.542 14.249 ( 2.867 0.000 -8.672) 9.133 14.627 ( -3.208 0.000 8.670) 9.244 14.817 ( -7.722 0.000 -7.632) 10.857 15.008 ( -5.393 0.000 8.519) 10.082 15.174 ( -7.085 0.000 -5.735) 9.115 15.224 ( 2.725 0.000 4.356) 5.139 15.322 ( -4.440 0.000 -4.370) 6.230 15.323 ( 1.731 0.000 2.708) 3.214 15.376 ( 1.001 0.000 -1.915) 2.160 15.581 ( 3.677 0.000 -0.158) 3.681 15.587 ( 3.302 0.000 -0.956) 3.437 15.774 ( -1.508 0.000 1.130) 1.884 15.789 ( -0.750 0.000 -0.588) 0.953 15.941 ( 3.863 0.000 -0.394) 3.883 15.988 ( 4.969 0.000 -3.546) 6.105 16.189 ( 8.598 0.000 1.389) 8.710 16.206 ( 9.692 0.000 0.201) 9.694 16.641 ( 5.351 0.000 -1.731) 5.624 16.675 ( 1.358 0.000 -4.941) 5.124 17.053 ( -1.003 0.000 2.608) 2.794 17.122 ( -3.536 0.000 -2.844) 4.538 17.268 ( -4.473 0.000 4.577) 6.400 17.332 ( -3.706 0.000 -0.187) 3.711 17.483 ( 2.675 0.000 7.083) 7.571 17.555 ( -0.434 0.000 6.873) 6.887 17.629 ( -0.810 0.000 1.983) 2.142 17.651 ( 3.626 0.000 -7.649) 8.465 17.742 ( 2.556 0.000 1.684) 3.061 17.775 ( 1.105 0.000 -1.020) 1.504 17.960 ( -2.263 0.000 0.302) 2.283 18.035 ( -0.382 0.000 -4.684) 4.699 18.094 ( -3.892 0.000 7.162) 8.152 18.247 ( -5.450 0.000 -6.002) 8.108 22.153 ( 5.161 0.000 0.061) 5.161 22.169 ( 3.638 0.000 -1.411) 3.902 22.380 ( 0.942 0.000 2.894) 3.044 22.445 ( 1.744 0.000 -3.005) 3.474 22.462 ( -0.099 0.000 2.208) 2.210 22.496 ( 0.013 0.000 -0.886) 0.886 22.585 ( -0.529 0.000 0.150) 0.550 22.590 ( 0.215 0.000 -0.181) 0.281 24.086 ( 3.427 0.000 3.252) 4.725 24.182 ( 5.652 0.000 -5.538) 7.913 24.488 ( -0.075 0.000 1.975) 1.976 24.516 ( 1.027 0.000 -0.724) 1.257 24.631 ( -0.961 0.000 2.692) 2.858 24.679 ( -5.713 0.000 -1.343) 5.869 24.813 ( -1.823 0.000 -0.079) 1.825 24.826 ( -1.360 0.000 -1.198) 1.813 25.763 ( 6.533 0.000 0.527) 6.555 25.817 ( 5.180 0.000 -4.781) 7.049 26.220 ( 6.768 0.000 9.272) 11.480 26.408 ( 2.936 0.000 -7.159) 7.738 26.672 ( -3.693 0.000 3.981) 5.431 26.705 ( -1.491 0.000 0.675) 1.637 26.962 ( 2.277 0.000 -0.169) 2.284 26.998 ( -4.586 0.000 -3.213) 5.599 27.114 ( 4.011 0.000 4.069) 5.714 27.234 ( 4.965 0.000 -6.554) 8.223 27.407 ( 4.208 0.000 -0.897) 4.302 27.426 ( 4.572 0.000 -2.169) 5.061 27.626 ( 1.894 0.000 2.461) 3.106 27.701 ( 5.430 0.000 -4.573) 7.099 27.896 ( -0.249 0.000 2.658) 2.670 27.916 ( -1.323 0.000 3.636) 3.869 27.999 ( 3.864 0.000 -0.480) 3.894 28.017 ( 0.429 0.000 0.975) 1.065 28.193 ( 1.374 0.000 5.793) 5.954 28.335 ( 0.531 0.000 -7.523) 7.542 28.465 ( -10.337 0.000 9.709) 14.182 28.648 ( -5.143 0.000 3.722) 6.349 28.722 ( -5.657 0.000 -10.724) 12.125 28.768 ( -4.789 0.000 -4.453) 6.539 28.785 ( -1.231 0.000 9.622) 9.700 28.974 ( 1.370 0.000 0.159) 1.379 29.090 ( -0.316 0.000 -5.077) 5.087 29.180 ( 4.206 0.000 -4.529) 6.181 29.225 ( 10.644 0.000 6.819) 12.641 29.394 ( 7.190 0.000 -6.895) 9.962 29.686 ( 0.318 0.000 0.721) 0.788 29.735 ( -1.175 0.000 -3.765) 3.944 29.891 ( -2.483 0.000 16.011) 16.203 30.236 ( -6.935 0.000 -9.693) 11.919 30.411 ( -2.135 0.000 -0.679) 2.241 30.511 ( -8.219 0.000 -5.156) 9.703 30.884 ( -5.154 0.000 7.419) 9.034 31.003 ( -5.574 0.000 -2.813) 6.243 31.354 ( -7.675 0.000 4.312) 8.803 31.414 ( 0.557 0.000 -1.303) 1.417 32.777 ( 4.212 0.000 2.023) 4.673 32.869 ( 5.453 0.000 -5.733) 7.912 33.336 ( 4.748 0.000 3.325) 5.797 33.369 ( 0.963 0.000 0.527) 1.098 33.724 ( -10.496 0.000 7.589) 12.953 33.806 ( -3.295 0.000 9.408) 9.968 33.872 ( -14.539 0.000 -5.038) 15.387 34.023 ( -3.272 0.000 -9.920) 10.446 36.232 ( 4.759 0.000 2.057) 5.184 36.293 ( 5.014 0.000 -3.569) 6.154 37.066 ( -0.570 0.000 -0.036) 0.571 37.088 ( -4.417 0.000 -1.743) 4.748 37.392 ( 13.200 0.000 2.846) 13.504 37.453 ( 7.902 0.000 -0.904) 7.954 37.626 ( 4.437 0.000 6.643) 7.988 37.787 ( 1.094 0.000 -6.044) 6.142 38.172 ( 4.341 0.000 1.207) 4.505 38.241 ( 3.747 0.000 -5.400) 6.573 38.643 ( -0.987 0.000 3.208) 3.357 38.674 ( -3.862 0.000 2.139) 4.415 38.733 ( 2.333 0.000 -2.506) 3.424 38.773 ( 2.601 0.000 -4.678) 5.352 39.140 ( 1.461 0.000 11.313) 11.407 39.380 ( 0.838 0.000 -9.561) 9.598 39.637 ( 0.903 0.000 -2.342) 2.510 39.642 ( 5.081 0.000 -3.033) 5.917 39.919 ( 0.115 0.000 1.533) 1.538 39.946 ( 0.370 0.000 -1.212) 1.267 40.501 ( -0.721 0.000 11.004) 11.028 40.754 ( -2.417 0.000 -11.094) 11.355 40.847 ( -2.869 0.000 4.454) 5.298 40.854 ( -2.283 0.000 4.396) 4.953 41.866 ( 1.206 0.000 -1.799) 2.166 41.903 ( 1.775 0.000 -5.360) 5.647 42.002 ( -0.051 0.000 10.574) 10.574 42.226 ( -3.680 0.000 -6.738) 7.678 42.250 ( 0.822 0.000 3.784) 3.872 42.358 ( 3.449 0.000 -7.801) 8.529 42.696 ( -4.874 0.000 11.613) 12.595 42.903 ( -7.613 0.000 -6.638) 10.101 83.431 ( 0.145 0.000 6.810) 6.811 83.585 ( -0.635 0.000 6.516) 6.547 83.614 ( 0.378 0.000 -9.899) 9.906 83.658 ( 3.073 0.000 8.773) 9.295 83.721 ( 1.136 0.000 -5.636) 5.749 83.853 ( 4.184 0.000 -8.531) 9.502 85.100 ( -10.175 0.000 16.857) 19.690 85.341 ( -33.107 0.000 -1.250) 33.131 87.691 ( -1.247 0.000 10.587) 10.660 87.882 ( -3.127 0.000 -5.139) 6.016 88.492 ( 24.404 0.000 -1.102) 24.429 88.505 ( 6.836 0.000 -0.074) 6.836 88.737 ( 3.587 0.000 -1.820) 4.022 88.814 ( -5.029 0.000 -6.629) 8.321 89.387 ( -6.764 0.000 2.491) 7.208 89.433 ( -6.473 0.000 -1.476) 6.639 92.856 ( 2.323 0.000 4.620) 5.171 92.966 ( 2.802 0.000 4.419) 5.232 92.983 ( 1.244 0.000 -6.113) 6.239 93.103 ( 2.129 0.000 -7.037) 7.352 93.825 ( 12.369 0.000 3.723) 12.917 93.989 ( 31.243 0.000 -13.915) 34.202 95.189 ( -8.960 0.000 21.675) 23.454 95.645 ( -7.783 0.000 -18.973) 20.507 96.796 ( 2.414 0.000 0.260) 2.428 96.804 ( 3.094 0.000 -0.407) 3.120 97.171 ( -2.024 0.000 3.027) 3.642 97.254 ( -2.002 0.000 -4.420) 4.852 97.819 ( 5.819 0.000 1.227) 5.947 97.847 ( 6.037 0.000 -1.275) 6.170 98.427 ( -3.178 0.000 0.148) 3.182 98.433 ( -3.232 0.000 -0.418) 3.259 ======================= Grid point 100 (35/48) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 21.661 0.000 24.825) 32.947 2.349 ( 17.739 0.000 12.998) 21.992 2.612 ( 19.039 0.000 -11.120) 22.049 2.874 ( 0.938 0.000 -13.148) 13.181 3.000 ( 7.501 0.000 14.152) 16.017 3.352 ( 3.339 0.000 -18.276) 18.579 3.524 ( -1.986 0.000 1.423) 2.443 3.614 ( -8.901 0.000 -7.883) 11.890 3.799 ( -10.829 0.000 5.855) 12.310 3.906 ( -1.771 0.000 -2.427) 3.004 4.060 ( 18.314 0.000 16.904) 24.923 4.173 ( 2.022 0.000 -0.634) 2.119 4.223 ( 1.416 0.000 -5.013) 5.209 4.325 ( 2.583 0.000 -4.979) 5.609 4.494 ( 3.329 0.000 2.493) 4.160 4.560 ( 8.438 0.000 -3.333) 9.072 4.769 ( 0.096 0.000 6.167) 6.168 4.953 ( -10.076 0.000 -6.244) 11.854 5.037 ( -2.508 0.000 0.133) 2.512 5.130 ( 4.085 0.000 -5.109) 6.542 5.442 ( 7.288 0.000 10.671) 12.922 5.476 ( 8.748 0.000 10.155) 13.403 5.598 ( 4.593 0.000 2.470) 5.215 5.651 ( 10.904 0.000 -3.394) 11.420 5.668 ( 5.438 0.000 -1.389) 5.613 5.823 ( -3.536 0.000 -6.321) 7.243 5.984 ( -9.228 0.000 -1.513) 9.352 6.016 ( -10.621 0.000 -5.595) 12.005 6.158 ( -5.520 0.000 -0.709) 5.566 6.194 ( -6.581 0.000 -1.900) 6.850 6.468 ( -12.343 0.000 -0.163) 12.344 6.495 ( -12.672 0.000 -2.730) 12.963 6.639 ( 8.763 0.000 13.049) 15.718 6.800 ( 16.006 0.000 4.261) 16.564 6.914 ( 12.802 0.000 -1.115) 12.851 7.021 ( 23.859 0.000 -10.576) 26.098 7.411 ( 8.563 0.000 6.469) 10.732 7.438 ( 10.587 0.000 1.011) 10.635 7.869 ( 9.057 0.000 1.237) 9.142 8.047 ( -2.380 0.000 0.093) 2.382 8.074 ( -8.589 0.000 -3.724) 9.362 8.109 ( -10.357 0.000 -9.638) 14.148 8.345 ( -3.236 0.000 -0.148) 3.239 8.351 ( -3.566 0.000 0.543) 3.607 8.639 ( -11.335 0.000 5.661) 12.670 8.730 ( -24.056 0.000 17.501) 29.749 8.764 ( -1.925 0.000 -4.671) 5.052 9.008 ( -18.966 0.000 -4.151) 19.414 9.848 ( 3.785 0.000 -2.002) 4.282 9.850 ( 3.975 0.000 -2.267) 4.576 10.135 ( -4.658 0.000 7.759) 9.050 10.344 ( -1.244 0.000 -10.395) 10.469 10.549 ( -10.668 0.000 8.728) 13.783 10.607 ( -6.127 0.000 5.250) 8.069 10.641 ( -9.808 0.000 -2.813) 10.203 10.814 ( -3.216 0.000 -11.087) 11.543 10.981 ( -8.299 0.000 -1.306) 8.401 11.116 ( -2.751 0.000 -11.588) 11.910 11.318 ( -10.668 0.000 7.660) 13.133 11.461 ( -10.663 0.000 -6.334) 12.402 11.499 ( -0.430 0.000 2.605) 2.640 11.605 ( 0.433 0.000 -5.428) 5.445 11.746 ( 0.347 0.000 -2.575) 2.598 11.774 ( -3.793 0.000 -2.859) 4.750 12.069 ( 2.356 0.000 1.583) 2.839 12.101 ( 4.623 0.000 -0.306) 4.633 12.289 ( -2.026 0.000 2.816) 3.469 12.333 ( -0.251 0.000 -0.683) 0.728 12.692 ( 4.617 0.000 7.696) 8.974 12.836 ( 3.032 0.000 5.203) 6.022 12.875 ( 5.350 0.000 -7.858) 9.507 12.926 ( 3.312 0.000 -3.266) 4.651 13.351 ( 4.999 0.000 13.286) 14.195 13.518 ( -4.318 0.000 8.138) 9.213 13.609 ( 0.276 0.000 -7.813) 7.818 13.641 ( 0.601 0.000 -5.307) 5.341 14.022 ( 6.398 0.000 10.923) 12.659 14.083 ( -1.110 0.000 5.105) 5.224 14.256 ( -1.068 0.000 -6.449) 6.537 14.265 ( -1.616 0.000 -7.591) 7.761 14.633 ( 4.137 0.000 3.914) 5.695 14.751 ( 0.332 0.000 -6.956) 6.964 14.910 ( -4.529 0.000 5.432) 7.072 15.029 ( -8.026 0.000 -4.654) 9.277 15.247 ( 0.450 0.000 1.669) 1.728 15.268 ( -1.119 0.000 -0.528) 1.238 15.324 ( -1.373 0.000 1.373) 1.941 15.365 ( -1.862 0.000 -2.388) 3.028 15.654 ( 3.534 0.000 1.144) 3.714 15.664 ( 4.276 0.000 0.037) 4.277 15.742 ( -1.438 0.000 2.465) 2.854 15.774 ( -0.686 0.000 -0.158) 0.704 16.049 ( 7.003 0.000 0.906) 7.061 16.088 ( 5.705 0.000 -2.222) 6.122 16.324 ( 3.856 0.000 1.659) 4.198 16.337 ( 2.765 0.000 1.333) 3.070 16.717 ( 3.244 0.000 -1.954) 3.787 16.745 ( 5.003 0.000 -3.532) 6.124 17.027 ( -6.194 0.000 0.742) 6.239 17.030 ( -2.357 0.000 -0.222) 2.367 17.233 ( 1.622 0.000 3.511) 3.868 17.303 ( 2.886 0.000 -1.978) 3.499 17.519 ( -3.426 0.000 6.881) 7.686 17.547 ( 3.673 0.000 8.077) 8.873 17.614 ( -0.732 0.000 0.662) 0.987 17.741 ( 5.420 0.000 -8.791) 10.328 17.786 ( -0.473 0.000 2.654) 2.696 17.814 ( 5.023 0.000 -0.481) 5.046 17.898 ( -3.800 0.000 0.762) 3.875 18.007 ( -4.866 0.000 5.912) 7.657 18.012 ( -2.209 0.000 -6.681) 7.037 18.137 ( -5.833 0.000 -5.598) 8.085 22.242 ( 3.843 0.000 0.812) 3.928 22.266 ( 6.209 0.000 -1.233) 6.330 22.388 ( -0.438 0.000 3.571) 3.598 22.466 ( -0.253 0.000 -3.149) 3.159 22.466 ( 0.925 0.000 2.162) 2.352 22.509 ( 1.752 0.000 -1.893) 2.579 22.569 ( -1.217 0.000 0.891) 1.508 22.591 ( -0.300 0.000 -0.973) 1.018 24.175 ( 5.754 0.000 4.848) 7.523 24.289 ( 5.292 0.000 -4.881) 7.200 24.479 ( -1.129 0.000 3.072) 3.273 24.541 ( -0.746 0.000 -2.390) 2.504 24.563 ( -3.776 0.000 2.755) 4.674 24.616 ( -0.098 0.000 -2.255) 2.257 24.765 ( -3.220 0.000 -0.953) 3.358 24.773 ( -3.994 0.000 -1.437) 4.244 25.934 ( 11.149 0.000 -0.523) 11.162 25.955 ( 9.142 0.000 -2.776) 9.554 26.383 ( 9.522 0.000 5.697) 11.096 26.458 ( -1.081 0.000 -0.121) 1.088 26.607 ( 0.663 0.000 -0.983) 1.185 26.622 ( -6.941 0.000 -1.397) 7.081 26.929 ( -3.585 0.000 2.287) 4.252 26.995 ( -0.748 0.000 -3.451) 3.531 27.207 ( 6.152 0.000 4.161) 7.426 27.326 ( 4.823 0.000 -6.097) 7.773 27.444 ( -0.086 0.000 1.097) 1.100 27.482 ( 0.841 0.000 -2.122) 2.282 27.707 ( 6.168 0.000 3.388) 7.037 27.794 ( 2.883 0.000 -3.804) 4.773 27.888 ( -1.854 0.000 3.455) 3.921 27.898 ( 0.422 0.000 1.984) 2.029 28.029 ( 1.132 0.000 2.410) 2.663 28.110 ( 6.746 0.000 -5.898) 8.961 28.212 ( 0.165 0.000 4.440) 4.443 28.297 ( -4.986 0.000 -2.051) 5.391 28.337 ( -1.149 0.000 11.419) 11.477 28.613 ( 1.063 0.000 -0.031) 1.064 28.635 ( -1.748 0.000 -14.462) 14.567 28.692 ( -3.532 0.000 -3.764) 5.162 28.754 ( -0.550 0.000 7.721) 7.741 28.972 ( -2.039 0.000 -8.862) 9.094 29.063 ( -1.955 0.000 2.653) 3.295 29.173 ( -4.821 0.000 -5.526) 7.334 29.442 ( 10.104 0.000 3.574) 10.717 29.534 ( 6.799 0.000 -2.430) 7.221 29.696 ( 0.795 0.000 0.432) 0.905 29.722 ( 0.058 0.000 -0.604) 0.607 29.846 ( -1.127 0.000 13.897) 13.943 30.092 ( -7.614 0.000 -5.237) 9.241 30.272 ( -10.716 0.000 -0.676) 10.737 30.298 ( -12.714 0.000 -1.017) 12.755 30.894 ( 6.024 0.000 1.243) 6.151 30.944 ( -0.207 0.000 -1.815) 1.827 31.209 ( -7.428 0.000 8.758) 11.484 31.375 ( -4.782 0.000 -6.213) 7.840 32.887 ( 7.264 0.000 3.459) 8.046 32.988 ( 7.104 0.000 -5.179) 8.791 33.405 ( 3.005 0.000 3.817) 4.858 33.456 ( 7.338 0.000 -1.050) 7.413 33.490 ( -13.260 0.000 5.259) 14.265 33.591 ( -13.971 0.000 -3.208) 14.334 33.719 ( -5.795 0.000 9.238) 10.905 33.932 ( -6.322 0.000 -9.790) 11.654 36.360 ( 8.629 0.000 2.367) 8.948 36.426 ( 8.778 0.000 -3.606) 9.490 36.953 ( -9.357 0.000 0.696) 9.383 36.981 ( -7.417 0.000 -1.777) 7.627 37.613 ( 7.661 0.000 3.092) 8.261 37.631 ( 9.845 0.000 -0.437) 9.855 37.717 ( 4.387 0.000 2.508) 5.053 37.810 ( 1.113 0.000 -3.760) 3.921 38.280 ( 6.597 0.000 0.965) 6.667 38.327 ( 4.982 0.000 -3.482) 6.078 38.593 ( -4.363 0.000 2.409) 4.984 38.600 ( -3.553 0.000 1.737) 3.955 38.813 ( 5.959 0.000 -0.005) 5.959 38.875 ( 8.211 0.000 -5.352) 9.801 39.135 ( -2.179 0.000 10.152) 10.383 39.359 ( -3.662 0.000 -9.911) 10.566 39.689 ( 4.714 0.000 1.558) 4.965 39.758 ( 6.434 0.000 -4.810) 8.033 39.915 ( -0.742 0.000 1.696) 1.851 39.950 ( -0.192 0.000 -2.008) 2.017 40.501 ( 1.256 0.000 7.962) 8.061 40.700 ( -2.821 0.000 -8.926) 9.361 40.776 ( -4.366 0.000 2.337) 4.952 40.786 ( -4.918 0.000 2.051) 5.329 41.897 ( 1.948 0.000 0.243) 1.963 41.948 ( 2.899 0.000 -4.676) 5.502 41.995 ( -0.717 0.000 7.978) 8.011 42.154 ( -3.945 0.000 -5.123) 6.466 42.279 ( 2.413 0.000 5.312) 5.834 42.426 ( 3.782 0.000 -8.007) 8.855 42.579 ( -6.999 0.000 9.828) 12.065 42.745 ( -8.339 0.000 -4.591) 9.520 83.441 ( 1.115 0.000 7.238) 7.323 83.562 ( -1.803 0.000 7.547) 7.760 83.633 ( 1.628 0.000 -10.131) 10.261 83.732 ( -0.175 0.000 -7.664) 7.666 83.756 ( 7.528 0.000 11.018) 13.344 83.982 ( 9.545 0.000 -8.971) 13.099 84.726 ( -29.390 0.000 16.496) 33.703 84.840 ( -16.516 0.000 4.165) 17.033 87.832 ( 13.614 0.000 3.204) 13.986 87.913 ( 6.392 0.000 -3.208) 7.152 88.488 ( -6.601 0.000 9.101) 11.243 88.672 ( -10.063 0.000 -4.890) 11.189 88.845 ( 13.742 0.000 -3.142) 14.097 88.893 ( 10.090 0.000 -5.543) 11.512 89.262 ( -6.090 0.000 0.994) 6.171 89.298 ( -7.103 0.000 -1.969) 7.370 92.916 ( 3.903 0.000 3.384) 5.166 93.007 ( 1.716 0.000 -3.823) 4.190 93.018 ( 1.972 0.000 2.683) 3.330 93.108 ( -1.259 0.000 -4.132) 4.319 94.113 ( 16.877 0.000 13.712) 21.745 94.568 ( 26.698 0.000 -29.120) 39.507 94.972 ( -13.317 0.000 22.049) 25.758 95.460 ( -11.235 0.000 -21.445) 24.210 96.861 ( 4.311 0.000 0.887) 4.401 96.889 ( 5.757 0.000 -1.835) 6.042 97.119 ( -3.439 0.000 2.907) 4.503 97.202 ( -3.538 0.000 -4.622) 5.821 97.950 ( 7.621 0.000 1.213) 7.717 97.975 ( 7.028 0.000 -0.818) 7.075 98.344 ( -5.520 0.000 0.112) 5.521 98.348 ( -5.615 0.000 -0.322) 5.624 ======================= Grid point 101 (36/48) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 23.591 0.000 18.052) 29.705 2.704 ( 17.363 0.000 0.171) 17.364 2.799 ( -12.374 0.000 5.665) 13.609 2.867 ( 3.127 0.000 -3.399) 4.618 3.176 ( 11.665 0.000 5.529) 12.909 3.440 ( -12.736 0.000 -1.200) 12.792 3.445 ( 1.452 0.000 -14.508) 14.581 3.478 ( -2.509 0.000 -4.364) 5.034 3.701 ( 7.963 0.000 0.569) 7.983 3.796 ( 6.835 0.000 -7.263) 9.973 4.034 ( -8.940 0.000 0.131) 8.941 4.044 ( -20.368 0.000 -1.734) 20.441 4.448 ( 10.987 0.000 5.602) 12.333 4.569 ( 4.936 0.000 6.643) 8.276 4.626 ( 16.125 0.000 -9.709) 18.822 4.646 ( -5.386 0.000 0.474) 5.407 4.690 ( 0.077 0.000 6.978) 6.978 4.833 ( 1.920 0.000 -3.650) 4.124 4.923 ( -6.036 0.000 -4.490) 7.523 5.015 ( -15.619 0.000 -10.727) 18.948 5.606 ( 8.290 0.000 7.721) 11.329 5.607 ( 13.390 0.000 9.805) 16.596 5.750 ( -2.441 0.000 5.762) 6.257 5.797 ( 8.438 0.000 2.354) 8.760 5.810 ( 3.062 0.000 -2.997) 4.285 5.836 ( -4.928 0.000 -0.483) 4.951 5.914 ( 11.445 0.000 -6.893) 13.361 5.926 ( 3.941 0.000 -5.596) 6.845 6.059 ( -2.974 0.000 -1.852) 3.504 6.081 ( -5.823 0.000 -1.392) 5.987 6.098 ( -19.779 0.000 3.405) 20.070 6.241 ( -13.681 0.000 -7.915) 15.806 7.062 ( 26.544 0.000 18.487) 32.347 7.113 ( 15.102 0.000 6.291) 16.360 7.230 ( 20.787 0.000 8.518) 22.465 7.307 ( -2.795 0.000 6.636) 7.201 7.466 ( -11.384 0.000 7.091) 13.411 7.581 ( 17.722 0.000 0.071) 17.722 7.704 ( -24.011 0.000 15.978) 28.842 7.857 ( -9.489 0.000 1.440) 9.598 8.080 ( 4.853 0.000 3.713) 6.110 8.239 ( 19.182 0.000 -13.651) 23.544 8.286 ( -13.488 0.000 11.499) 17.724 8.348 ( -0.009 0.000 -3.862) 3.862 8.364 ( 7.049 0.000 -8.888) 11.344 8.449 ( -10.780 0.000 -1.198) 10.846 8.592 ( -16.889 0.000 -12.047) 20.745 8.631 ( -18.414 0.000 -14.163) 23.231 9.918 ( 4.000 0.000 -0.542) 4.036 9.963 ( 8.787 0.000 -4.488) 9.867 10.020 ( -6.700 0.000 5.690) 8.790 10.183 ( -13.407 0.000 -8.779) 16.026 10.437 ( -0.098 0.000 8.294) 8.295 10.502 ( -5.437 0.000 8.911) 10.439 10.625 ( 6.191 0.000 -8.968) 10.898 10.746 ( -5.103 0.000 -11.818) 12.872 10.923 ( 3.091 0.000 2.517) 3.986 11.078 ( -12.066 0.000 4.569) 12.902 11.115 ( 3.858 0.000 -14.131) 14.648 11.258 ( -10.297 0.000 -12.173) 15.944 11.573 ( 5.859 0.000 3.752) 6.957 11.653 ( 3.797 0.000 -3.870) 5.421 11.685 ( -5.618 0.000 0.919) 5.693 11.721 ( -2.884 0.000 -3.343) 4.415 12.132 ( 4.377 0.000 2.597) 5.090 12.194 ( 5.349 0.000 -2.399) 5.862 12.222 ( -4.681 0.000 3.329) 5.744 12.289 ( -4.201 0.000 -2.214) 4.749 12.795 ( 5.443 0.000 9.363) 10.830 12.862 ( -1.037 0.000 7.349) 7.422 12.960 ( 3.087 0.000 -5.548) 6.349 12.977 ( 1.345 0.000 -3.617) 3.858 13.413 ( 1.942 0.000 12.555) 12.704 13.449 ( -2.618 0.000 9.661) 10.009 13.592 ( 1.719 0.000 -3.385) 3.796 13.653 ( -2.869 0.000 -8.196) 8.684 14.107 ( 4.099 0.000 4.941) 6.420 14.129 ( 4.921 0.000 4.440) 6.628 14.199 ( -4.586 0.000 -1.270) 4.759 14.210 ( -3.739 0.000 -2.964) 4.771 14.746 ( 6.980 0.000 0.377) 6.990 14.787 ( 2.616 0.000 -3.809) 4.621 14.840 ( -3.083 0.000 0.668) 3.155 14.882 ( -7.518 0.000 -2.533) 7.933 15.260 ( 1.127 0.000 0.614) 1.283 15.275 ( 1.676 0.000 -1.135) 2.024 15.290 ( -1.926 0.000 0.824) 2.095 15.319 ( -2.684 0.000 -2.256) 3.507 15.704 ( 1.699 0.000 2.427) 2.963 15.724 ( -0.695 0.000 2.979) 3.059 15.729 ( 2.498 0.000 0.239) 2.509 15.760 ( -0.989 0.000 0.171) 1.004 16.189 ( 7.499 0.000 0.695) 7.531 16.203 ( 6.369 0.000 -0.615) 6.398 16.311 ( -4.629 0.000 1.205) 4.783 16.312 ( -4.537 0.000 1.193) 4.692 16.798 ( 5.232 0.000 -0.003) 5.232 16.841 ( 5.528 0.000 -3.432) 6.506 16.907 ( -6.285 0.000 1.260) 6.410 16.949 ( -5.620 0.000 -2.402) 6.112 17.314 ( 6.041 0.000 6.190) 8.650 17.430 ( -5.796 0.000 7.654) 9.601 17.439 ( 9.259 0.000 -4.768) 10.414 17.570 ( -3.444 0.000 -3.248) 4.734 17.627 ( 3.576 0.000 9.079) 9.758 17.720 ( -5.928 0.000 9.775) 11.432 17.845 ( 5.439 0.000 -9.252) 10.732 17.871 ( 1.393 0.000 1.348) 1.939 17.910 ( 3.011 0.000 -2.593) 3.974 17.924 ( -3.817 0.000 4.522) 5.917 17.958 ( -1.706 0.000 -9.584) 9.734 18.032 ( -5.395 0.000 -5.497) 7.702 22.309 ( 3.186 0.000 2.722) 4.190 22.361 ( -2.292 0.000 3.528) 4.207 22.371 ( 4.705 0.000 -2.625) 5.388 22.439 ( -2.535 0.000 -3.214) 4.093 22.498 ( 2.181 0.000 2.121) 3.043 22.539 ( -1.992 0.000 1.624) 2.570 22.546 ( 1.931 0.000 -2.364) 3.052 22.577 ( -1.208 0.000 -1.836) 2.198 24.294 ( 6.762 0.000 4.905) 8.354 24.376 ( 3.967 0.000 -1.616) 4.284 24.424 ( -6.980 0.000 3.248) 7.699 24.440 ( -2.876 0.000 1.654) 3.318 24.608 ( 3.787 0.000 -0.900) 3.892 24.639 ( 2.440 0.000 -3.728) 4.456 24.689 ( -4.646 0.000 -1.247) 4.810 24.699 ( -3.636 0.000 -2.492) 4.408 26.143 ( 10.456 0.000 -0.194) 10.458 26.163 ( 12.722 0.000 -1.801) 12.849 26.334 ( -9.439 0.000 2.300) 9.715 26.390 ( -10.469 0.000 -2.794) 10.835 26.634 ( 10.081 0.000 5.010) 11.258 26.733 ( 9.643 0.000 -3.812) 10.369 26.820 ( -8.342 0.000 4.275) 9.373 26.908 ( -7.931 0.000 -3.409) 8.633 27.329 ( 6.019 0.000 2.696) 6.595 27.412 ( 4.083 0.000 -4.141) 5.815 27.415 ( -2.992 0.000 1.962) 3.578 27.470 ( -1.902 0.000 -2.651) 3.263 27.818 ( 5.225 0.000 0.864) 5.296 27.823 ( 1.027 0.000 0.779) 1.289 27.850 ( -1.909 0.000 3.082) 3.625 27.891 ( -2.022 0.000 -0.837) 2.188 28.075 ( 4.017 0.000 5.439) 6.761 28.175 ( 1.209 0.000 -2.355) 2.647 28.178 ( -6.620 0.000 3.409) 7.446 28.198 ( -1.313 0.000 1.398) 1.917 28.441 ( 9.073 0.000 5.520) 10.621 28.595 ( -6.830 0.000 2.175) 7.168 28.634 ( 2.528 0.000 -9.024) 9.371 28.665 ( 0.794 0.000 -8.502) 8.539 28.824 ( 7.753 0.000 0.432) 7.765 28.942 ( 0.713 0.000 -8.040) 8.072 29.005 ( -4.309 0.000 -1.635) 4.608 29.012 ( -10.910 0.000 -2.713) 11.242 29.594 ( 6.405 0.000 3.477) 7.288 29.637 ( 4.290 0.000 1.114) 4.432 29.691 ( -3.851 0.000 1.447) 4.114 29.697 ( -1.602 0.000 0.547) 1.693 29.906 ( 7.271 0.000 6.263) 9.597 30.002 ( -0.250 0.000 -1.614) 1.633 30.077 ( -10.499 0.000 1.018) 10.548 30.086 ( -8.052 0.000 -0.516) 8.069 30.982 ( 3.907 0.000 2.875) 4.851 31.057 ( 10.075 0.000 -4.307) 10.956 31.080 ( -6.224 0.000 7.419) 9.684 31.242 ( -9.018 0.000 -7.161) 11.516 33.047 ( 9.693 0.000 3.861) 10.434 33.140 ( 9.150 0.000 -4.137) 10.042 33.250 ( -11.955 0.000 4.148) 12.654 33.336 ( -11.792 0.000 -3.315) 12.249 33.484 ( 5.372 0.000 6.903) 8.747 33.599 ( -6.571 0.000 8.619) 10.838 33.624 ( 8.980 0.000 -5.698) 10.635 33.791 ( -8.436 0.000 -8.555) 12.015 36.546 ( 10.859 0.000 2.398) 11.121 36.611 ( 10.610 0.000 -3.480) 11.167 36.756 ( -11.165 0.000 1.942) 11.333 36.811 ( -10.240 0.000 -2.949) 10.656 37.724 ( 4.086 0.000 2.837) 4.974 37.759 ( 4.494 0.000 -0.650) 4.541 37.762 ( 0.130 0.000 1.799) 1.804 37.813 ( -1.241 0.000 -1.733) 2.132 38.404 ( 6.400 0.000 0.660) 6.434 38.420 ( 4.935 0.000 -1.124) 5.061 38.510 ( -4.571 0.000 0.930) 4.664 38.515 ( -5.310 0.000 0.796) 5.370 38.941 ( 7.123 0.000 3.927) 8.134 39.060 ( 10.571 0.000 -6.631) 12.478 39.062 ( -5.435 0.000 7.741) 9.458 39.243 ( -8.391 0.000 -8.504) 11.947 39.794 ( 5.672 0.000 2.961) 6.398 39.862 ( 4.507 0.000 -2.878) 5.348 39.880 ( -3.233 0.000 2.421) 4.039 39.927 ( -2.371 0.000 -2.011) 3.110 40.562 ( 5.125 0.000 3.285) 6.087 40.668 ( -0.166 0.000 -5.392) 5.395 40.676 ( -6.445 0.000 1.100) 6.538 40.699 ( -3.288 0.000 -1.178) 3.493 41.936 ( 2.124 0.000 2.597) 3.355 41.973 ( -1.667 0.000 5.069) 5.336 42.009 ( 3.553 0.000 -3.994) 5.345 42.080 ( -3.939 0.000 -4.072) 5.665 42.344 ( 4.607 0.000 6.984) 8.367 42.450 ( -6.478 0.000 8.325) 10.548 42.504 ( 4.671 0.000 -7.109) 8.506 42.606 ( -6.338 0.000 -5.486) 8.383 83.473 ( 2.216 0.000 7.812) 8.120 83.520 ( -2.541 0.000 8.028) 8.421 83.672 ( 2.342 0.000 -10.143) 10.410 83.713 ( -1.778 0.000 -9.337) 9.505 83.949 ( 13.238 0.000 14.513) 19.643 84.209 ( 14.498 0.000 -8.492) 16.802 84.262 ( -20.335 0.000 17.846) 27.055 84.514 ( -17.428 0.000 -4.877) 18.098 88.092 ( 11.621 0.000 2.327) 11.852 88.132 ( 17.023 0.000 -1.289) 17.072 88.314 ( -11.237 0.000 6.766) 13.117 88.437 ( -14.747 0.000 -3.710) 15.206 89.039 ( 7.670 0.000 -1.707) 7.857 89.057 ( 7.225 0.000 -3.117) 7.868 89.157 ( -5.427 0.000 -0.628) 5.464 89.177 ( -6.016 0.000 -2.197) 6.405 92.994 ( 4.176 0.000 1.385) 4.399 93.035 ( 1.046 0.000 -2.111) 2.356 93.041 ( 0.410 0.000 0.771) 0.873 93.065 ( -3.152 0.000 -1.213) 3.377 94.424 ( 15.824 0.000 20.014) 25.514 94.708 ( -14.588 0.000 22.032) 26.424 94.968 ( 16.714 0.000 -28.844) 33.337 95.236 ( -12.628 0.000 -24.947) 27.961 96.951 ( 5.062 0.000 1.780) 5.366 97.007 ( 6.447 0.000 -3.587) 7.378 97.043 ( -4.581 0.000 2.531) 5.234 97.119 ( -5.267 0.000 -4.527) 6.945 98.093 ( 7.409 0.000 0.730) 7.445 98.105 ( 6.775 0.000 -0.134) 6.776 98.227 ( -6.780 0.000 0.272) 6.785 98.231 ( -6.617 0.000 -0.053) 6.617 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.000 18.555 29.014) 34.440 2.240 ( 0.000 13.006 40.419) 42.460 2.334 ( 0.000 15.361 -21.035) 26.047 2.921 ( 0.000 7.807 32.034) 32.972 3.047 ( 0.000 6.180 -30.573) 31.192 3.274 ( 0.000 11.738 26.457) 28.944 3.367 ( 0.000 8.745 -10.824) 13.915 3.535 ( 0.000 -5.684 2.150) 6.077 3.610 ( 0.000 -0.602 -4.758) 4.796 3.884 ( 0.000 0.363 6.884) 6.894 4.074 ( 0.000 -6.494 -8.567) 10.751 4.105 ( 0.000 4.886 -22.768) 23.286 4.326 ( 0.000 -3.145 2.762) 4.186 4.447 ( 0.000 -1.726 -10.395) 10.537 4.541 ( 0.000 -1.668 1.603) 2.313 4.592 ( 0.000 -11.652 1.414) 11.738 4.646 ( 0.000 -5.331 -7.373) 9.098 4.679 ( 0.000 -7.291 -3.636) 8.147 4.788 ( 0.000 -1.629 4.796) 5.065 4.846 ( 0.000 3.754 0.085) 3.755 5.105 ( 0.000 8.572 2.361) 8.891 5.240 ( 0.000 9.264 -7.767) 12.089 5.606 ( 0.000 -7.037 6.684) 9.705 5.655 ( 0.000 -3.805 3.538) 5.196 5.796 ( 0.000 -7.465 4.358) 8.644 5.836 ( 0.000 -8.624 11.697) 14.532 5.952 ( 0.000 -6.186 -7.773) 9.934 6.019 ( 0.000 -1.854 1.762) 2.558 6.318 ( 0.000 3.733 7.965) 8.797 6.424 ( 0.000 4.740 -8.885) 10.070 6.441 ( 0.000 1.977 -0.551) 2.052 6.536 ( 0.000 4.415 -11.531) 12.347 6.723 ( 0.000 -9.463 7.264) 11.930 6.844 ( 0.000 3.780 5.499) 6.673 6.912 ( 0.000 0.519 -7.296) 7.315 7.042 ( 0.000 5.917 0.288) 5.924 7.087 ( 0.000 -0.841 -13.310) 13.336 7.226 ( 0.000 3.422 -16.725) 17.071 7.510 ( 0.000 2.285 11.354) 11.582 7.799 ( 0.000 -8.173 -13.109) 15.448 8.216 ( 0.000 -0.538 11.445) 11.457 8.266 ( 0.000 -8.310 0.548) 8.328 8.335 ( 0.000 -12.176 -4.934) 13.137 8.441 ( 0.000 -1.072 -7.987) 8.059 8.900 ( 0.000 9.147 10.225) 13.719 9.082 ( 0.000 11.177 -6.254) 12.808 9.167 ( 0.000 -2.292 10.569) 10.815 9.295 ( 0.000 0.484 0.170) 0.513 9.872 ( 0.000 2.663 1.323) 2.974 9.920 ( 0.000 6.325 -3.141) 7.062 10.168 ( 0.000 -0.211 10.111) 10.114 10.338 ( 0.000 1.829 -3.083) 3.585 10.653 ( 0.000 -0.952 8.686) 8.738 10.850 ( 0.000 -3.073 -7.634) 8.229 10.900 ( 0.000 -4.155 9.312) 10.197 10.994 ( 0.000 -0.577 2.334) 2.404 11.227 ( 0.000 1.898 -3.164) 3.689 11.271 ( 0.000 2.091 -4.817) 5.251 11.340 ( 0.000 -0.810 10.651) 10.681 11.577 ( 0.000 -4.497 10.305) 11.244 11.653 ( 0.000 -5.123 -12.402) 13.418 11.750 ( 0.000 -5.002 3.333) 6.010 11.783 ( 0.000 -2.016 -5.585) 5.938 11.806 ( 0.000 -2.796 -0.444) 2.831 11.992 ( 0.000 2.545 6.513) 6.993 12.086 ( 0.000 1.895 -0.597) 1.987 12.231 ( 0.000 -1.711 0.603) 1.814 12.318 ( 0.000 4.789 -7.235) 8.676 12.613 ( 0.000 -0.725 4.041) 4.106 12.636 ( 0.000 -8.334 3.547) 9.058 12.716 ( 0.000 -7.840 -3.013) 8.399 12.748 ( 0.000 -0.975 -8.345) 8.402 13.305 ( 0.000 9.293 8.472) 12.575 13.534 ( 0.000 7.234 -12.588) 14.518 13.587 ( 0.000 -1.829 8.049) 8.255 13.798 ( 0.000 -0.834 -9.713) 9.748 13.892 ( 0.000 2.918 17.794) 18.032 14.090 ( 0.000 0.362 2.077) 2.109 14.218 ( 0.000 1.605 -10.449) 10.571 14.227 ( 0.000 0.753 -8.623) 8.656 14.665 ( 0.000 -0.291 13.866) 13.869 14.983 ( 0.000 1.287 -13.122) 13.185 15.038 ( 0.000 -0.918 8.297) 8.348 15.144 ( 0.000 -2.437 9.418) 9.728 15.255 ( 0.000 -5.157 -9.607) 10.904 15.274 ( 0.000 -1.298 3.368) 3.610 15.296 ( 0.000 -3.244 -4.343) 5.421 15.334 ( 0.000 -0.657 -1.185) 1.355 15.566 ( 0.000 1.902 -0.566) 1.984 15.576 ( 0.000 2.169 -1.774) 2.801 15.753 ( 0.000 -2.486 1.163) 2.745 15.783 ( 0.000 -1.389 -1.737) 2.224 15.900 ( 0.000 -0.685 -2.639) 2.727 15.935 ( 0.000 0.435 -4.867) 4.886 16.052 ( 0.000 -2.255 3.691) 4.325 16.084 ( 0.000 -1.421 0.834) 1.648 16.626 ( 0.000 3.773 -0.229) 3.780 16.691 ( 0.000 2.684 -5.762) 6.356 17.023 ( 0.000 -4.094 2.422) 4.757 17.100 ( 0.000 -5.088 -4.163) 6.574 17.303 ( 0.000 0.472 8.084) 8.098 17.428 ( 0.000 3.188 -2.981) 4.364 17.483 ( 0.000 1.933 6.735) 7.006 17.547 ( 0.000 0.111 6.573) 6.574 17.638 ( 0.000 0.231 -0.458) 0.513 17.654 ( 0.000 2.878 -4.585) 5.414 17.727 ( 0.000 0.573 3.317) 3.366 17.806 ( 0.000 3.101 -3.770) 4.881 17.972 ( 0.000 -0.357 1.884) 1.918 18.064 ( 0.000 2.320 -4.789) 5.321 18.121 ( 0.000 -1.366 7.965) 8.081 18.280 ( 0.000 -2.376 -5.785) 6.253 22.115 ( 0.000 1.539 0.573) 1.643 22.145 ( 0.000 1.692 -2.217) 2.789 22.340 ( 0.000 -2.501 2.368) 3.444 22.396 ( 0.000 -2.669 -2.777) 3.851 22.473 ( 0.000 1.010 2.400) 2.604 22.508 ( 0.000 1.186 -0.779) 1.419 22.580 ( 0.000 -0.486 0.982) 1.096 22.602 ( 0.000 0.422 -0.954) 1.043 24.083 ( 0.000 2.978 1.877) 3.521 24.141 ( 0.000 2.288 -3.491) 4.174 24.462 ( 0.000 -2.607 1.065) 2.817 24.479 ( 0.000 -2.846 -0.528) 2.895 24.646 ( 0.000 0.515 5.337) 5.362 24.750 ( 0.000 0.509 -4.153) 4.184 24.797 ( 0.000 -2.770 1.452) 3.127 24.826 ( 0.000 -0.636 -0.882) 1.087 25.724 ( 0.000 2.552 1.886) 3.173 25.810 ( 0.000 4.026 -6.232) 7.420 26.125 ( 0.000 -2.695 9.947) 10.306 26.333 ( 0.000 -4.660 -8.012) 9.268 26.789 ( 0.000 8.399 5.309) 9.937 26.814 ( 0.000 8.235 2.002) 8.475 26.928 ( 0.000 -1.515 2.902) 3.274 27.041 ( 0.000 -2.263 1.718) 2.841 27.077 ( 0.000 0.985 -8.485) 8.542 27.103 ( 0.000 -5.283 -4.042) 6.652 27.360 ( 0.000 0.737 -1.147) 1.363 27.375 ( 0.000 0.318 -2.265) 2.288 27.623 ( 0.000 0.758 2.429) 2.545 27.677 ( 0.000 2.232 -3.120) 3.836 27.969 ( 0.000 2.270 5.610) 6.052 27.977 ( 0.000 7.116 0.615) 7.143 28.015 ( 0.000 5.695 -1.600) 5.916 28.041 ( 0.000 2.409 1.179) 2.682 28.107 ( 0.000 -5.993 6.194) 8.619 28.263 ( 0.000 -6.501 -8.683) 10.847 28.613 ( 0.000 0.063 5.449) 5.449 28.671 ( 0.000 -0.518 4.447) 4.477 28.744 ( 0.000 -2.891 -3.427) 4.484 28.778 ( 0.000 -2.953 -5.396) 6.151 28.884 ( 0.000 4.608 10.832) 11.771 29.025 ( 0.000 2.354 3.339) 4.086 29.067 ( 0.000 -0.690 -1.974) 2.091 29.076 ( 0.000 3.928 -1.431) 4.181 29.278 ( 0.000 8.234 -3.280) 8.864 29.356 ( 0.000 4.513 -8.480) 9.606 29.635 ( 0.000 -3.507 6.620) 7.491 29.796 ( 0.000 2.489 -8.256) 8.623 29.990 ( 0.000 7.785 11.347) 13.761 30.321 ( 0.000 0.641 -17.275) 17.286 30.419 ( 0.000 2.256 8.872) 9.154 30.606 ( 0.000 2.150 -7.823) 8.113 30.938 ( 0.000 -2.944 7.351) 7.918 31.043 ( 0.000 -2.955 -2.011) 3.575 31.294 ( 0.000 -7.949 6.394) 10.201 31.416 ( 0.000 -4.480 -5.155) 6.830 32.757 ( 0.000 2.435 2.883) 3.774 32.863 ( 0.000 4.923 -6.210) 7.924 33.237 ( 0.000 -4.842 6.351) 7.986 33.341 ( 0.000 -2.353 -3.054) 3.855 33.818 ( 0.000 -1.340 8.646) 8.749 33.829 ( 0.000 -0.708 8.374) 8.403 33.995 ( 0.000 -4.001 -6.665) 7.773 34.017 ( 0.000 -3.187 -8.477) 9.056 36.254 ( 0.000 6.594 1.503) 6.763 36.298 ( 0.000 5.345 -2.558) 5.926 36.987 ( 0.000 -3.594 4.150) 5.490 37.075 ( 0.000 -4.477 -3.625) 5.760 37.264 ( 0.000 -0.221 6.382) 6.386 37.400 ( 0.000 2.136 -5.876) 6.252 37.518 ( 0.000 -5.371 9.334) 10.769 37.723 ( 0.000 -4.636 -8.950) 10.079 38.143 ( 0.000 2.886 5.383) 6.108 38.294 ( 0.000 6.712 -7.893) 10.361 38.609 ( 0.000 -4.202 3.192) 5.277 38.698 ( 0.000 -1.655 -5.050) 5.314 38.750 ( 0.000 4.573 3.256) 5.613 38.864 ( 0.000 8.276 -6.573) 10.569 39.098 ( 0.000 -1.674 11.557) 11.677 39.346 ( 0.000 -2.035 -10.115) 10.317 39.620 ( 0.000 2.691 0.045) 2.692 39.657 ( 0.000 2.459 -3.322) 4.133 39.911 ( 0.000 -0.735 1.555) 1.720 39.932 ( 0.000 -1.186 -0.381) 1.245 40.525 ( 0.000 1.618 11.204) 11.320 40.775 ( 0.000 -0.219 -10.716) 10.718 40.850 ( 0.000 -2.437 5.541) 6.054 40.865 ( 0.000 -1.055 4.896) 5.008 41.869 ( 0.000 0.715 -3.448) 3.521 41.875 ( 0.000 0.096 -3.890) 3.892 41.983 ( 0.000 -1.772 10.694) 10.840 42.253 ( 0.000 -3.518 -12.462) 12.949 42.287 ( 0.000 4.111 2.389) 4.755 42.329 ( 0.000 2.997 -1.303) 3.268 42.701 ( 0.000 -3.989 10.409) 11.147 42.889 ( 0.000 -8.351 -5.890) 10.219 83.432 ( 0.000 0.211 6.569) 6.572 83.559 ( 0.000 -3.361 4.316) 5.470 83.588 ( 0.000 -1.028 2.936) 3.111 83.607 ( 0.000 -0.509 -9.337) 9.351 83.801 ( 0.000 6.868 0.659) 6.900 83.889 ( 0.000 7.142 -5.967) 9.306 85.041 ( 0.000 -15.036 19.698) 24.781 85.402 ( 0.000 -27.900 -10.706) 29.883 87.915 ( 0.000 -1.349 3.826) 4.057 87.920 ( 0.000 -5.310 21.379) 22.029 87.983 ( 0.000 2.570 -1.479) 2.965 88.378 ( 0.000 -0.992 -19.921) 19.946 88.743 ( 0.000 1.903 4.886) 5.244 88.884 ( 0.000 2.231 -7.082) 7.426 89.259 ( 0.000 -15.401 9.209) 17.944 89.401 ( 0.000 -8.942 -4.047) 9.815 92.838 ( 0.000 0.470 4.940) 4.962 92.921 ( 0.000 -0.956 4.411) 4.514 92.973 ( 0.000 0.179 -7.270) 7.272 93.039 ( 0.000 -1.217 -6.210) 6.328 93.722 ( 0.000 7.479 4.616) 8.789 93.802 ( 0.000 9.690 -2.668) 10.051 95.087 ( 0.000 -16.946 17.591) 24.426 95.425 ( 0.000 -23.389 -11.897) 26.241 96.889 ( 0.000 10.018 0.602) 10.036 96.894 ( 0.000 10.138 0.271) 10.142 97.447 ( 0.000 16.566 -0.165) 16.567 97.530 ( 0.000 24.050 -8.921) 25.651 97.712 ( 0.000 -4.647 1.053) 4.765 97.734 ( 0.000 -4.806 -0.923) 4.894 98.419 ( 0.000 -3.870 0.619) 3.919 98.440 ( 0.000 -2.442 -1.216) 2.728 ======================= Grid point 106 (38/48) ======================= q-point: ( 0.14 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 11.945 17.556 26.962) 34.320 2.285 ( 5.982 16.257 27.154) 32.209 2.449 ( 11.778 13.394 -15.223) 23.449 2.923 ( 0.927 4.963 10.749) 11.876 3.020 ( -0.340 10.718 -9.088) 14.057 3.380 ( 1.329 4.041 -18.551) 19.032 3.497 ( 12.701 4.790 19.697) 23.922 3.599 ( 7.476 -0.451 9.120) 11.801 3.710 ( 7.751 3.070 -5.220) 9.837 3.815 ( -0.548 -4.479 5.219) 6.899 3.976 ( -4.849 -1.529 -7.065) 8.704 4.146 ( 0.665 1.182 -16.267) 16.323 4.335 ( -7.754 -3.889 2.258) 8.963 4.377 ( -7.589 -1.602 -1.632) 7.926 4.449 ( -0.967 -4.451 0.799) 4.624 4.526 ( 1.620 -0.096 -4.270) 4.568 4.677 ( 3.336 0.157 4.452) 5.566 4.823 ( 17.598 -5.733 -11.171) 21.618 4.937 ( 8.070 -2.004 0.641) 8.340 4.987 ( 9.260 -0.975 -0.938) 9.358 5.238 ( 6.328 4.773 2.543) 8.324 5.303 ( 9.092 4.321 -0.924) 10.109 5.565 ( -4.022 -8.391 7.928) 12.225 5.649 ( -6.942 0.406 2.340) 7.337 5.701 ( -0.879 -3.187 4.988) 5.984 5.807 ( -5.933 -7.552 -0.697) 9.629 5.951 ( 7.055 -6.682 5.288) 11.063 6.128 ( 3.880 -4.937 -2.222) 6.661 6.192 ( -12.050 -1.682 0.991) 12.207 6.344 ( -4.477 2.667 1.978) 5.574 6.484 ( -1.635 3.100 -4.854) 5.987 6.598 ( 4.334 -0.773 0.195) 4.407 6.682 ( 3.066 3.350 -6.127) 7.627 6.794 ( -8.174 0.274 -13.488) 15.774 6.853 ( -5.267 3.826 0.095) 6.510 6.910 ( -8.293 1.267 -3.595) 9.127 7.179 ( 9.677 2.971 -0.780) 10.153 7.260 ( 10.368 2.809 -5.258) 11.959 7.654 ( 10.110 -1.891 8.086) 13.084 7.895 ( 5.065 -8.913 -9.700) 14.113 8.187 ( -2.481 0.837 2.904) 3.910 8.224 ( -3.674 -5.744 -2.818) 7.378 8.328 ( 0.427 -6.419 2.396) 6.865 8.497 ( 0.664 -1.671 -9.838) 10.001 8.803 ( -10.240 6.802 8.921) 15.189 8.882 ( -8.542 6.821 1.710) 11.064 9.144 ( -11.229 -0.186 11.509) 16.081 9.257 ( -8.150 -0.802 1.604) 8.345 9.833 ( -0.988 2.578 -0.533) 2.812 9.859 ( -2.647 5.183 -1.658) 6.051 10.196 ( 1.125 1.458 7.700) 7.918 10.357 ( 1.222 2.526 -5.963) 6.590 10.613 ( -4.950 -3.502 8.289) 10.270 10.751 ( -9.828 -5.943 -1.654) 11.604 10.814 ( -8.539 -2.978 4.671) 10.178 10.907 ( -7.018 -0.125 -4.193) 8.176 11.159 ( -7.400 0.939 -2.983) 8.033 11.204 ( -4.343 2.906 -6.145) 8.067 11.366 ( 1.031 -0.637 9.693) 9.768 11.586 ( -5.893 -4.004 -5.874) 9.234 11.612 ( 0.011 -2.367 6.218) 6.653 11.660 ( -8.682 -0.987 -0.629) 8.760 11.708 ( -2.588 -2.768 -3.584) 5.216 11.805 ( -2.860 -3.656 -6.375) 7.885 12.009 ( 3.774 2.067 4.634) 6.324 12.075 ( 2.223 2.221 -2.042) 3.748 12.321 ( 4.621 2.178 1.216) 5.251 12.352 ( 0.962 4.374 -1.522) 4.730 12.590 ( 0.908 -5.259 4.802) 7.179 12.702 ( 4.047 -5.333 3.213) 7.425 12.725 ( 2.010 -8.019 -4.551) 9.437 12.790 ( 3.472 -2.136 -5.867) 7.144 13.332 ( 2.658 6.064 9.566) 11.634 13.538 ( 0.932 2.290 -5.832) 6.334 13.620 ( 2.351 3.136 1.609) 4.237 13.740 ( -5.184 -0.419 -5.626) 7.662 13.901 ( 1.615 0.124 16.095) 16.176 14.115 ( -0.024 1.393 1.805) 2.280 14.206 ( 1.150 -1.271 -9.422) 9.577 14.252 ( 0.196 -1.059 -7.192) 7.273 14.639 ( -0.817 1.718 8.841) 9.044 14.843 ( -6.232 2.497 -8.207) 10.603 15.023 ( -4.919 1.030 8.611) 9.970 15.180 ( -3.686 -0.692 -3.457) 5.101 15.214 ( 1.419 -0.012 -0.017) 1.419 15.255 ( -1.429 -5.628 -2.602) 6.363 15.314 ( 2.292 -1.169 2.432) 3.540 15.371 ( 1.160 -0.585 -1.770) 2.196 15.600 ( 2.590 1.701 -0.417) 3.126 15.608 ( 4.099 2.120 -1.097) 4.743 15.758 ( -0.557 -1.350 0.895) 1.713 15.775 ( -0.576 -0.974 -1.052) 1.544 15.922 ( 3.388 -1.430 0.606) 3.727 15.981 ( 4.268 -0.549 -3.391) 5.479 16.131 ( 7.021 -3.931 2.528) 8.435 16.181 ( 8.004 -3.080 -1.567) 8.719 16.691 ( 5.686 4.221 -1.690) 7.280 16.712 ( 2.702 3.272 -3.707) 5.634 17.019 ( -0.355 -3.194 1.871) 3.718 17.084 ( -1.671 -3.801 -3.505) 5.433 17.263 ( -3.145 1.685 7.251) 8.081 17.382 ( -3.873 3.472 -2.977) 5.993 17.505 ( 1.920 1.299 7.356) 7.712 17.551 ( -0.170 0.039 6.711) 6.714 17.635 ( -0.625 0.116 0.795) 1.018 17.678 ( 2.773 2.454 -7.314) 8.198 17.739 ( 1.593 -0.440 2.233) 2.778 17.794 ( -0.806 1.574 -2.760) 3.278 17.955 ( -1.909 -0.006 2.467) 3.119 18.060 ( -0.627 2.118 -5.053) 5.515 18.087 ( -3.351 -0.804 7.051) 7.848 18.233 ( -4.405 -1.303 -5.392) 7.084 22.164 ( 4.733 1.125 0.145) 4.867 22.181 ( 3.321 1.250 -1.369) 3.804 22.356 ( 1.488 -2.162 2.541) 3.653 22.413 ( 1.502 -2.700 -2.539) 3.999 22.472 ( -0.042 0.880 2.099) 2.277 22.507 ( -0.158 1.094 -0.947) 1.455 22.579 ( -0.118 -0.487 0.764) 0.913 22.598 ( -0.359 0.299 -0.840) 0.961 24.113 ( 3.093 2.681 2.726) 4.918 24.193 ( 4.752 1.306 -4.564) 6.716 24.467 ( 0.495 -2.130 1.402) 2.598 24.489 ( 1.111 -2.776 -0.655) 3.061 24.630 ( -1.609 0.029 3.225) 3.604 24.687 ( -5.582 0.776 -1.745) 5.900 24.779 ( -1.940 -2.971 1.140) 3.727 24.814 ( -1.901 -1.216 -1.881) 2.938 25.792 ( 6.964 2.982 1.433) 7.710 25.863 ( 5.595 4.364 -5.314) 8.865 26.192 ( 6.815 -2.679 8.718) 11.386 26.371 ( 4.134 -3.805 -6.913) 8.908 26.737 ( -5.608 6.011 6.509) 10.486 26.809 ( -1.781 8.999 0.318) 9.179 26.958 ( 3.233 0.286 -1.064) 3.415 26.994 ( -4.364 -0.523 -4.082) 5.998 27.090 ( 3.978 -2.108 2.616) 5.208 27.172 ( 5.042 -5.196 -4.875) 8.728 27.423 ( 3.619 0.563 -1.263) 3.874 27.426 ( 4.412 -0.239 -1.368) 4.626 27.638 ( 1.892 0.343 1.657) 2.538 27.692 ( 2.998 0.041 -3.455) 4.574 27.940 ( -1.995 4.049 3.056) 5.451 27.978 ( -0.667 5.912 0.794) 6.002 28.032 ( 1.710 3.048 -0.422) 3.521 28.044 ( 0.421 2.099 1.433) 2.576 28.145 ( 3.366 -4.268 6.112) 8.180 28.290 ( 2.055 -4.905 -6.596) 8.473 28.492 ( -8.631 2.022 6.712) 11.119 28.604 ( -5.954 -1.323 4.436) 7.542 28.683 ( -5.579 -2.632 -7.201) 9.482 28.727 ( -4.627 -2.804 -6.626) 8.554 28.862 ( -1.248 4.936 8.133) 9.595 29.034 ( 0.239 3.432 -5.117) 6.166 29.128 ( 3.335 4.117 2.342) 5.793 29.186 ( 9.555 -3.180 5.800) 11.621 29.265 ( -1.291 6.035 -3.222) 6.962 29.428 ( 6.426 3.238 -9.554) 11.961 29.631 ( -0.420 -4.079 7.128) 8.224 29.778 ( -1.791 1.768 -6.760) 7.214 29.976 ( -1.188 8.876 11.018) 14.198 30.257 ( -5.105 2.689 -10.149) 11.675 30.440 ( -0.563 3.075 1.931) 3.674 30.557 ( -5.929 4.450 -5.557) 9.264 30.850 ( -5.711 -3.028 6.871) 9.434 30.967 ( -5.864 -3.510 -3.146) 7.524 31.270 ( -3.862 -6.863 7.089) 10.596 31.391 ( -1.672 -3.729 -4.114) 5.799 32.798 ( 4.169 2.299 3.335) 5.813 32.910 ( 4.431 3.880 -6.195) 8.548 33.278 ( 4.078 -5.166 4.618) 8.040 33.347 ( 0.919 -2.576 -1.550) 3.144 33.717 ( -9.653 -0.473 7.194) 12.048 33.794 ( -3.700 -1.109 8.327) 9.179 33.853 ( -12.456 -1.726 -4.276) 13.283 33.986 ( -3.600 -3.518 -8.674) 10.028 36.300 ( 4.786 6.627 1.620) 8.333 36.346 ( 4.895 5.243 -2.535) 7.608 37.045 ( 1.163 -2.629 0.460) 2.911 37.074 ( -1.793 -2.212 -1.972) 3.464 37.337 ( 9.168 -4.077 4.931) 11.179 37.438 ( 4.934 -0.831 -2.663) 5.668 37.558 ( 3.613 -6.024 6.227) 9.387 37.731 ( 0.687 -4.909 -7.967) 9.383 38.182 ( 3.967 2.607 5.474) 7.246 38.328 ( 3.454 6.393 -7.275) 10.282 38.613 ( 0.326 -3.601 3.686) 5.164 38.682 ( -3.160 0.199 0.878) 3.285 38.755 ( 2.871 3.043 -1.020) 4.307 38.863 ( 0.306 7.802 -7.220) 10.634 39.119 ( 1.193 -2.159 10.349) 10.639 39.353 ( 0.191 -2.636 -10.174) 10.512 39.647 ( 2.272 2.091 0.048) 3.088 39.688 ( 4.089 3.410 -3.636) 6.447 39.918 ( 0.601 -0.269 1.532) 1.668 39.940 ( 0.863 -0.761 -0.778) 1.389 40.512 ( -1.197 1.224 10.563) 10.701 40.748 ( -2.693 -0.505 -9.794) 10.170 40.822 ( -2.835 -2.394 4.456) 5.799 40.842 ( -2.490 -1.210 3.691) 4.614 41.882 ( 1.230 1.663 -2.503) 3.247 41.889 ( 1.594 -0.992 -3.378) 3.865 41.988 ( 0.460 -1.414 9.756) 9.869 42.216 ( -3.078 -1.500 -7.943) 8.649 42.291 ( 0.320 3.732 2.083) 4.286 42.359 ( 2.537 0.718 -4.675) 5.367 42.659 ( -4.255 -3.422 9.658) 11.095 42.826 ( -5.940 -6.820 -4.707) 10.195 83.434 ( 0.329 0.389 6.649) 6.669 83.573 ( 0.991 -2.088 4.686) 5.225 83.591 ( 0.847 -1.711 1.160) 2.234 83.617 ( 1.005 -0.658 -6.733) 6.839 83.821 ( 1.882 6.805 0.014) 7.061 83.909 ( 2.369 5.773 -6.499) 9.010 84.950 ( -9.904 -14.505 15.271) 23.274 85.127 ( -23.856 -18.675 2.176) 30.374 87.727 ( 0.449 3.431 10.491) 11.047 87.922 ( -2.383 3.887 -5.717) 7.313 88.316 ( 17.090 -10.326 7.156) 21.211 88.556 ( 14.025 -3.002 -13.557) 19.736 88.727 ( -1.255 1.592 4.274) 4.730 88.860 ( -1.650 3.500 -6.611) 7.660 89.239 ( -2.018 -11.681 6.715) 13.624 89.355 ( -4.390 -7.001 -3.758) 9.078 92.861 ( 2.375 0.524 4.538) 5.149 92.956 ( 3.029 -0.988 4.660) 5.645 92.985 ( 1.221 0.230 -6.450) 6.569 93.084 ( 2.653 -1.774 -6.523) 7.262 93.888 ( 9.490 6.423 1.492) 11.556 93.960 ( 22.095 -0.287 -5.987) 22.894 95.015 ( -7.258 -15.515 17.767) 24.679 95.369 ( -5.706 -22.169 -13.166) 26.407 96.916 ( 2.592 10.454 0.475) 10.781 96.918 ( 2.847 9.979 0.405) 10.385 97.416 ( -2.974 15.575 -1.170) 15.900 97.464 ( -5.473 20.336 -6.123) 21.932 97.773 ( 5.701 -4.366 1.245) 7.287 97.806 ( 6.025 -3.574 -1.758) 7.223 98.388 ( -3.309 -3.993 0.500) 5.210 98.406 ( -3.545 -2.739 -1.176) 4.631 ======================= Grid point 107 (39/48) ======================= q-point: ( 0.29 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 21.897 17.312 20.706) 34.755 2.477 ( 14.019 12.810 12.265) 22.607 2.751 ( 17.929 12.723 -8.455) 23.554 2.986 ( 5.289 10.418 -9.438) 15.019 3.067 ( 5.337 7.244 9.779) 13.289 3.419 ( 3.526 6.106 -18.880) 20.154 3.482 ( -2.557 -4.431 2.650) 5.761 3.571 ( -10.157 -4.075 -5.479) 12.239 3.828 ( -8.109 2.631 5.356) 10.069 3.954 ( -2.297 4.151 -4.793) 6.744 4.070 ( -3.514 -8.618 -1.130) 9.375 4.098 ( 19.313 -1.137 6.297) 20.346 4.167 ( 4.552 -1.305 3.260) 5.749 4.341 ( 3.528 1.147 -3.632) 5.191 4.551 ( 5.913 4.764 4.313) 8.733 4.637 ( 7.324 6.914 -2.788) 10.451 4.741 ( 1.037 -1.615 6.118) 6.412 4.956 ( -7.959 0.503 -7.940) 11.253 5.039 ( -1.621 -0.097 -1.188) 2.012 5.104 ( 4.446 -2.692 -4.554) 6.910 5.345 ( 0.364 -8.729 8.332) 12.073 5.429 ( 12.207 -4.240 6.000) 14.248 5.523 ( -1.300 -4.315 2.188) 5.010 5.576 ( 8.785 -2.797 0.456) 9.231 5.738 ( -2.318 -8.128 -1.117) 8.526 5.790 ( 5.368 -0.422 -4.821) 7.227 5.966 ( -7.007 3.131 1.888) 7.904 6.040 ( -4.397 2.558 -2.571) 5.699 6.112 ( -4.507 -4.381 -2.479) 6.757 6.145 ( -8.573 -4.422 -2.173) 9.888 6.478 ( -12.066 -0.161 0.477) 12.077 6.529 ( -12.697 2.168 -4.194) 13.546 6.644 ( 11.876 1.433 12.809) 17.526 6.810 ( 13.604 0.964 2.309) 13.833 6.965 ( 12.524 4.847 -1.143) 13.478 7.046 ( 19.734 1.727 -9.517) 21.977 7.431 ( 12.418 1.122 5.274) 13.538 7.452 ( 8.170 1.974 3.292) 9.027 7.794 ( 4.140 -6.024 1.354) 7.434 7.948 ( 1.973 -6.042 -7.399) 9.754 8.092 ( -5.790 0.910 2.464) 6.358 8.182 ( -4.414 4.243 -7.275) 9.508 8.305 ( -2.319 -3.810 0.636) 4.505 8.370 ( -8.875 1.499 -3.050) 9.504 8.620 ( -12.312 -1.399 7.850) 14.669 8.716 ( -18.998 -0.558 15.899) 24.779 8.814 ( -10.620 3.359 -4.162) 11.891 9.004 ( -17.917 -0.558 -4.730) 18.539 9.836 ( 3.000 0.508 1.064) 3.223 9.893 ( 3.135 3.016 -3.940) 5.869 10.170 ( -4.549 3.202 6.467) 8.530 10.346 ( -3.868 0.508 -7.426) 8.389 10.464 ( -8.309 -7.657 5.949) 12.770 10.567 ( -7.362 -3.215 -1.911) 8.258 10.650 ( -7.719 -1.307 1.462) 7.965 10.769 ( -6.853 -3.904 -8.486) 11.585 11.009 ( -6.175 2.822 -0.822) 6.839 11.125 ( -3.497 1.843 -9.940) 10.697 11.320 ( -8.766 0.555 6.253) 10.782 11.454 ( -8.700 -0.036 -4.892) 9.981 11.514 ( -0.948 0.542 1.087) 1.541 11.583 ( -0.364 -2.134 -4.358) 4.866 11.725 ( 0.501 -2.224 -2.431) 3.333 11.748 ( -2.728 -2.490 -2.928) 4.713 12.095 ( 4.442 2.873 2.184) 5.723 12.138 ( 3.889 2.984 -1.842) 5.237 12.329 ( -2.518 3.854 1.965) 5.005 12.361 ( -0.449 2.740 -0.007) 2.777 12.645 ( 4.411 -4.902 7.178) 9.747 12.774 ( 2.884 -5.342 2.713) 6.649 12.793 ( 5.047 -9.071 -1.700) 10.519 12.860 ( 3.391 -3.449 -4.669) 6.723 13.393 ( 3.426 2.337 10.695) 11.471 13.530 ( -1.812 2.266 2.903) 4.104 13.639 ( -3.758 2.036 -1.695) 4.598 13.689 ( 3.665 3.778 -5.540) 7.642 13.965 ( 4.608 -4.919 10.986) 12.888 14.072 ( -3.090 -0.825 3.250) 4.560 14.209 ( -3.249 -5.121 -4.750) 7.704 14.220 ( -2.111 -3.051 -5.798) 6.883 14.681 ( 4.997 4.323 3.429) 7.445 14.798 ( 0.762 4.460 -6.783) 8.153 14.936 ( -3.881 2.121 5.563) 7.107 15.056 ( -7.242 2.343 -4.321) 8.752 15.238 ( 0.880 -1.336 1.143) 1.966 15.259 ( 1.071 -0.285 -0.557) 1.240 15.332 ( -0.374 0.145 0.743) 0.845 15.366 ( -1.333 -0.045 -1.942) 2.356 15.659 ( 3.025 0.596 1.522) 3.438 15.692 ( 4.110 2.418 -1.240) 4.927 15.737 ( -1.054 0.484 2.542) 2.794 15.768 ( -0.139 -0.263 -0.409) 0.506 16.025 ( 6.807 -2.262 1.673) 7.365 16.072 ( 5.283 -1.589 -1.884) 5.830 16.248 ( 3.991 -5.306 2.467) 7.083 16.295 ( 2.702 -4.750 -1.313) 5.620 16.764 ( 3.577 4.523 -0.071) 5.767 16.813 ( 5.218 4.811 -3.890) 8.094 17.004 ( -2.058 -1.245 1.094) 2.642 17.038 ( -3.060 -0.428 -1.825) 3.588 17.243 ( 2.054 1.782 4.696) 5.426 17.335 ( 0.599 2.754 -2.919) 4.057 17.511 ( -2.782 -0.758 7.118) 7.680 17.563 ( 2.905 1.443 8.237) 8.853 17.614 ( -1.637 -0.442 -0.763) 1.859 17.748 ( 4.190 0.617 -7.962) 9.019 17.778 ( 0.381 -1.227 1.750) 2.171 17.804 ( 3.632 -0.667 -1.445) 3.966 17.899 ( -3.458 0.692 2.947) 4.596 18.010 ( -4.322 0.141 5.648) 7.113 18.034 ( -2.343 1.839 -6.616) 7.255 18.137 ( -5.380 -0.032 -5.432) 7.646 22.248 ( 3.754 0.613 0.845) 3.896 22.272 ( 5.848 0.678 -1.264) 6.022 22.381 ( 0.566 -0.853 2.979) 3.150 22.435 ( 0.558 -2.054 -1.020) 2.360 22.481 ( 0.844 0.290 0.385) 0.972 22.506 ( 0.464 0.268 -1.370) 1.471 22.570 ( -0.990 -0.259 0.513) 1.145 22.589 ( -0.622 -0.165 -1.032) 1.216 24.194 ( 5.347 2.016 4.036) 6.996 24.290 ( 5.084 0.296 -4.170) 6.582 24.473 ( -0.262 -0.773 2.647) 2.770 24.522 ( 2.230 -2.375 -1.520) 3.595 24.567 ( -6.559 0.784 1.416) 6.756 24.598 ( -1.233 -1.478 -1.185) 2.261 24.728 ( -3.330 -3.264 0.140) 4.665 24.753 ( -4.254 -1.902 -1.858) 5.017 25.968 ( 11.190 3.598 0.620) 11.771 26.012 ( 9.916 5.134 -3.513) 11.706 26.362 ( 10.549 -2.119 6.232) 12.434 26.476 ( 5.130 -0.155 -3.212) 6.054 26.614 ( -5.274 2.324 3.279) 6.631 26.696 ( -9.314 6.452 -3.281) 11.796 26.932 ( -3.298 0.106 2.716) 4.273 27.003 ( -1.314 0.494 -3.345) 3.627 27.188 ( 6.763 -1.349 2.923) 7.490 27.278 ( 6.242 -4.047 -4.886) 8.900 27.444 ( -0.629 -0.391 1.320) 1.513 27.487 ( 1.407 -0.123 -2.422) 2.804 27.709 ( 5.684 -0.448 2.804) 6.354 27.787 ( 4.727 -1.044 -3.222) 5.815 27.904 ( -1.694 3.959 2.462) 4.960 27.951 ( -2.235 4.300 -0.759) 4.905 28.054 ( 1.285 2.195 2.649) 3.672 28.093 ( 4.200 -0.904 -2.113) 4.788 28.203 ( 1.927 -1.653 5.386) 5.954 28.299 ( -0.707 -1.313 3.136) 3.473 28.364 ( -5.265 2.981 3.815) 7.153 28.522 ( -1.738 -5.004 1.708) 5.566 28.595 ( -2.932 -3.012 -9.620) 10.498 28.642 ( -3.323 -3.999 -8.682) 10.120 28.843 ( -0.158 6.266 6.904) 9.324 29.030 ( -0.890 4.332 -8.785) 9.836 29.129 ( -2.344 5.071 2.547) 6.140 29.216 ( -4.777 3.065 -3.263) 6.547 29.372 ( 8.857 -4.810 5.313) 11.394 29.539 ( 4.570 -0.391 -5.795) 7.391 29.625 ( -0.102 -5.852 5.463) 8.006 29.732 ( -3.059 -0.696 -3.042) 4.370 29.971 ( 1.464 11.874 8.787) 14.844 30.164 ( -4.113 6.731 -5.975) 9.896 30.339 ( -8.816 6.866 1.339) 11.254 30.385 ( -10.935 8.485 -1.733) 13.949 30.843 ( 4.662 -4.639 2.508) 7.039 30.913 ( 1.009 -3.499 -3.045) 4.747 31.166 ( -6.445 -4.336 8.699) 11.663 31.332 ( -5.190 -4.593 -6.263) 9.341 32.905 ( 7.043 1.938 3.970) 8.314 33.013 ( 6.396 2.456 -5.329) 8.680 33.352 ( 2.727 -4.848 3.331) 6.484 33.398 ( 3.252 -4.451 -0.830) 5.575 33.511 ( -9.361 1.224 4.960) 10.664 33.602 ( -12.314 0.813 -2.495) 12.591 33.703 ( -6.081 -1.493 7.709) 9.932 33.888 ( -6.629 -4.153 -8.558) 11.594 36.427 ( 8.413 6.453 1.713) 10.741 36.474 ( 8.401 4.783 -2.526) 9.992 36.973 ( -7.606 1.412 0.155) 7.737 36.989 ( -6.659 0.593 -1.285) 6.808 37.537 ( 9.367 -7.842 1.358) 12.291 37.559 ( 6.539 -5.045 1.590) 8.411 37.633 ( 3.819 -7.582 1.957) 8.712 37.743 ( 0.392 -5.869 -5.718) 8.203 38.280 ( 6.009 1.987 5.632) 8.472 38.409 ( 4.809 5.621 -5.439) 9.181 38.601 ( -4.760 1.748 4.692) 6.909 38.611 ( -0.935 -1.183 3.158) 3.499 38.852 ( 6.269 2.672 -3.202) 7.529 38.899 ( 4.514 3.679 -6.434) 8.677 39.115 ( -1.754 -2.086 8.545) 8.969 39.325 ( -3.658 -3.235 -9.973) 11.104 39.714 ( 5.050 2.623 2.663) 6.283 39.794 ( 6.106 3.084 -4.304) 8.083 39.926 ( 0.017 0.969 1.801) 2.045 39.959 ( 0.761 0.546 -1.703) 1.943 40.498 ( 0.361 -0.049 7.926) 7.934 40.687 ( -3.291 -1.255 -7.611) 8.387 40.751 ( -4.427 -2.329 1.879) 5.343 40.770 ( -5.108 -1.575 1.442) 5.537 41.911 ( 1.812 1.418 -0.042) 2.301 41.931 ( 2.704 -1.008 -2.049) 3.539 41.996 ( 0.251 -0.394 6.790) 6.806 42.150 ( -3.838 -0.616 -4.948) 6.293 42.305 ( 1.411 2.585 3.382) 4.485 42.414 ( 3.237 -0.883 -6.152) 7.008 42.557 ( -6.110 -2.104 7.943) 10.240 42.698 ( -6.970 -4.267 -4.004) 9.100 83.450 ( 1.378 0.817 7.036) 7.216 83.570 ( -1.173 0.727 6.440) 6.586 83.627 ( 2.180 -0.963 -6.837) 7.240 83.655 ( 3.068 -3.208 -0.226) 4.445 83.864 ( 3.019 6.756 1.363) 7.524 83.997 ( 7.477 1.802 -7.600) 10.812 84.611 ( -23.091 -10.369 16.176) 30.040 84.756 ( -15.561 -8.320 2.106) 17.771 87.875 ( 13.183 4.186 3.597) 14.292 87.961 ( 6.501 4.702 -3.293) 8.673 88.454 ( -1.805 -3.808 8.788) 9.746 88.630 ( -6.467 -4.399 -4.525) 9.036 88.841 ( 11.305 -0.057 -3.250) 11.763 88.892 ( 6.111 0.553 -5.482) 8.228 89.187 ( -3.409 -6.477 2.761) 7.822 89.257 ( -5.584 -3.922 -3.197) 7.535 92.923 ( 3.952 0.633 3.362) 5.227 93.010 ( 2.250 0.020 0.009) 2.251 93.016 ( 1.977 -0.051 -0.989) 2.211 93.102 ( -0.577 -0.576 -4.036) 4.118 94.109 ( 13.353 0.572 9.561) 16.433 94.415 ( 22.822 -11.641 -18.438) 31.564 94.837 ( -11.016 -12.271 17.581) 24.104 95.226 ( -9.176 -19.670 -16.171) 27.067 96.984 ( 4.653 11.054 1.138) 12.047 96.998 ( 5.420 10.026 -0.033) 11.397 97.341 ( -5.093 16.399 -2.679) 17.379 97.357 ( -5.365 15.085 -3.777) 16.450 97.900 ( 7.340 -4.935 1.287) 8.938 97.927 ( 6.659 -4.605 -1.039) 8.162 98.301 ( -5.725 -4.304 0.240) 7.166 98.313 ( -6.074 -3.472 -0.907) 7.055 ======================= Grid point 108 (40/48) ======================= q-point: ( 0.43 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 21.441 16.146 14.427) 30.472 2.779 ( 16.396 7.064 2.866) 18.082 2.912 ( -5.821 10.467 5.415) 13.144 3.004 ( -5.857 11.884 -0.474) 13.257 3.236 ( 11.281 5.936 2.044) 12.910 3.415 ( -3.648 -2.895 -5.177) 6.964 3.461 ( -1.786 0.143 -1.114) 2.110 3.520 ( -3.719 5.574 -10.059) 12.086 3.720 ( 7.618 2.560 0.347) 8.044 3.825 ( 7.392 3.018 -8.543) 11.694 4.055 ( -16.947 1.247 -1.522) 17.061 4.082 ( -7.564 4.290 -4.129) 9.626 4.377 ( 9.922 -5.654 5.778) 12.798 4.555 ( 16.402 -4.560 -7.518) 18.610 4.606 ( -9.593 -2.640 4.105) 10.763 4.637 ( 2.346 5.294 4.852) 7.554 4.766 ( -3.849 3.945 3.896) 6.750 4.826 ( 2.842 0.287 -4.106) 5.002 4.949 ( -4.374 1.109 -5.406) 7.042 4.976 ( -12.967 -3.339 -9.413) 16.367 5.489 ( 11.420 -10.170 6.590) 16.652 5.600 ( 8.345 -5.979 0.185) 10.267 5.658 ( -0.387 -8.894 4.889) 10.157 5.705 ( 9.433 -4.114 3.728) 10.946 5.752 ( -2.815 -8.649 -2.697) 9.487 5.817 ( 5.071 -0.972 0.782) 5.222 5.874 ( -1.898 2.802 0.790) 3.476 5.974 ( -0.856 5.046 -5.405) 7.444 6.053 ( -2.003 -1.336 1.441) 2.806 6.099 ( 0.748 0.967 -1.022) 1.594 6.171 ( -13.021 3.503 1.682) 13.589 6.284 ( -13.013 3.212 -6.592) 14.936 7.064 ( 25.256 0.390 17.056) 30.478 7.126 ( 18.645 1.477 7.272) 20.067 7.250 ( 16.735 1.768 8.263) 18.747 7.336 ( 1.202 2.318 3.456) 4.332 7.489 ( -8.668 2.297 7.561) 11.729 7.582 ( 9.313 -0.236 6.277) 11.233 7.689 ( -15.668 -1.019 10.612) 18.951 7.842 ( -12.039 -1.653 2.681) 12.445 8.092 ( 3.952 0.732 3.254) 5.172 8.228 ( 15.995 -0.624 -11.146) 19.505 8.273 ( -8.385 -2.173 8.572) 12.186 8.299 ( -1.040 -1.955 -3.065) 3.781 8.372 ( 4.569 -0.467 -8.919) 10.032 8.421 ( -11.157 -2.395 -0.092) 11.411 8.593 ( -16.881 -0.113 -13.322) 21.505 8.639 ( -18.843 0.572 -13.464) 23.166 9.941 ( 4.237 2.228 -0.793) 4.853 9.952 ( 6.719 -0.294 -0.730) 6.764 10.050 ( -5.606 2.252 2.404) 6.502 10.175 ( -12.213 -0.588 -6.677) 13.931 10.398 ( 1.069 -3.803 6.913) 7.963 10.468 ( -5.255 -3.425 5.294) 8.208 10.591 ( 2.396 -3.665 -8.424) 9.494 10.667 ( -4.537 -6.969 -9.668) 12.752 10.979 ( 3.202 5.281 1.065) 6.267 11.108 ( -5.183 2.183 -1.393) 5.794 11.128 ( -1.254 2.704 -6.762) 7.389 11.265 ( -10.129 1.036 -10.352) 14.520 11.576 ( 5.076 -0.199 1.961) 5.445 11.627 ( 4.044 -2.380 -2.785) 5.457 11.671 ( -4.701 -1.553 0.355) 4.963 11.703 ( -3.333 -1.786 -3.146) 4.919 12.179 ( 4.599 4.099 1.737) 6.401 12.220 ( 4.515 2.652 -1.267) 5.387 12.267 ( -3.614 4.297 1.580) 5.833 12.315 ( -4.083 2.708 -1.726) 5.195 12.739 ( 4.882 -5.486 8.410) 11.165 12.799 ( -0.870 -5.825 6.127) 8.499 12.875 ( 2.971 -8.063 -2.205) 8.872 12.898 ( 0.446 -6.568 -3.610) 7.508 13.450 ( 2.546 2.748 10.645) 11.285 13.494 ( -2.186 4.665 9.010) 10.379 13.620 ( 2.730 2.672 -3.530) 5.201 13.701 ( -3.533 4.106 -7.804) 9.500 14.050 ( 4.343 -6.267 4.891) 9.059 14.065 ( 3.225 -4.784 4.184) 7.127 14.132 ( -4.251 -6.463 -0.271) 7.740 14.152 ( -4.907 -4.741 -2.414) 7.238 14.796 ( 6.604 4.392 0.392) 7.941 14.833 ( 2.252 4.241 -3.256) 5.802 14.877 ( -2.518 3.407 0.999) 4.353 14.923 ( -6.828 3.690 -2.417) 8.129 15.268 ( 2.122 0.465 0.172) 2.179 15.283 ( 1.495 0.557 -0.674) 1.732 15.310 ( -1.549 1.262 -0.432) 2.044 15.329 ( -2.424 0.417 -1.981) 3.159 15.702 ( 1.562 0.108 3.189) 3.553 15.722 ( -0.679 1.023 3.601) 3.804 15.750 ( 1.849 1.913 -0.649) 2.738 15.767 ( -0.211 0.965 -0.378) 1.058 16.159 ( 6.943 -2.953 1.108) 7.626 16.177 ( 5.620 -2.629 -0.429) 6.220 16.259 ( -2.679 -4.189 1.473) 5.186 16.276 ( -4.121 -3.973 0.133) 5.725 16.838 ( 4.439 3.831 0.763) 5.913 16.895 ( 4.100 4.384 -3.835) 7.122 16.929 ( -4.988 2.113 1.215) 5.552 16.974 ( -4.024 2.155 -2.621) 5.263 17.320 ( 5.375 0.739 5.554) 7.764 17.412 ( 0.464 -0.847 2.952) 3.106 17.448 ( 1.900 0.073 -0.347) 1.933 17.558 ( -4.523 -1.429 -4.000) 6.205 17.635 ( 4.343 0.883 9.582) 10.557 17.731 ( -5.159 0.985 9.114) 10.519 17.828 ( 3.396 -1.495 -3.769) 5.289 17.849 ( 1.298 -1.970 -1.353) 2.719 17.917 ( 4.185 0.948 -2.026) 4.745 17.940 ( -2.192 1.257 1.023) 2.726 17.978 ( -2.618 1.553 -8.191) 8.738 18.035 ( -5.426 0.282 -5.328) 7.610 22.313 ( 3.155 0.500 2.537) 4.080 22.364 ( -2.086 0.316 3.163) 3.802 22.371 ( 4.358 0.103 -2.421) 4.986 22.430 ( -1.686 -0.851 -2.373) 3.033 22.498 ( 1.637 0.013 1.499) 2.220 22.527 ( 0.122 -0.810 0.394) 0.909 22.548 ( -0.152 -0.236 -1.273) 1.304 22.571 ( -1.303 -0.537 -1.785) 2.274 24.307 ( 6.504 1.404 4.110) 7.821 24.376 ( 4.104 0.221 -1.469) 4.365 24.434 ( -6.809 1.084 2.630) 7.379 24.444 ( -2.871 0.369 1.659) 3.336 24.584 ( 3.819 -2.309 -0.960) 4.565 24.604 ( 1.970 -3.036 -2.690) 4.509 24.661 ( -3.553 -3.329 -1.430) 5.075 24.667 ( -4.632 -2.194 -1.577) 5.363 26.186 ( 11.370 4.312 0.965) 12.199 26.225 ( 12.365 5.531 -2.447) 13.765 26.387 ( -9.517 5.087 2.859) 11.164 26.455 ( -10.212 5.702 -3.063) 12.091 26.613 ( 9.834 -2.036 4.759) 11.113 26.711 ( 10.262 -2.190 -3.865) 11.182 26.813 ( -9.318 -1.123 4.303) 10.325 26.900 ( -8.759 -1.024 -3.434) 9.463 27.321 ( 6.502 -0.567 2.370) 6.943 27.399 ( 5.861 -1.339 -4.049) 7.248 27.412 ( -2.897 -0.290 2.076) 3.576 27.481 ( -2.263 0.402 -3.733) 4.384 27.809 ( 3.823 -0.470 3.240) 5.033 27.833 ( 0.655 0.784 1.303) 1.655 27.881 ( -0.498 3.225 0.596) 3.317 27.904 ( -2.442 2.017 -1.221) 3.395 28.097 ( 3.421 1.686 4.484) 5.887 28.151 ( 0.271 -0.944 2.032) 2.257 28.202 ( -0.641 0.506 0.359) 0.892 28.242 ( -4.145 2.750 -0.268) 4.981 28.376 ( 5.988 -3.887 7.222) 10.155 28.484 ( -4.009 -6.567 2.079) 7.970 28.579 ( 0.912 -4.615 -9.299) 10.421 28.605 ( -1.342 -5.558 -9.127) 10.770 28.893 ( 5.950 6.084 2.970) 9.013 29.027 ( 1.611 5.638 -8.026) 9.940 29.038 ( -7.672 4.468 0.844) 8.918 29.100 ( -5.714 4.825 -4.467) 8.712 29.510 ( 6.049 -5.630 5.008) 9.663 29.595 ( -1.209 -5.346 4.300) 6.967 29.617 ( 1.343 -5.110 -2.998) 6.075 29.668 ( -3.232 -3.102 -0.940) 4.577 30.044 ( 6.076 12.571 4.372) 14.631 30.124 ( 0.137 10.099 -1.826) 10.264 30.187 ( -6.802 9.998 1.228) 12.155 30.196 ( -7.964 10.789 -0.345) 13.415 30.938 ( 4.901 -4.306 3.232) 7.281 31.018 ( 8.240 -4.049 -3.402) 9.791 31.046 ( -5.360 -3.591 6.149) 8.913 31.197 ( -8.875 -4.665 -6.611) 12.010 33.060 ( 9.361 1.398 3.938) 10.252 33.151 ( 8.281 1.140 -3.856) 9.206 33.255 ( -11.144 0.479 3.650) 11.737 33.320 ( -8.503 -1.584 -1.567) 8.790 33.479 ( 2.920 -0.469 4.586) 5.457 33.577 ( -0.625 -2.765 2.780) 3.970 33.586 ( 2.385 -2.857 -0.046) 3.722 33.744 ( -8.427 -4.421 -7.351) 12.025 36.605 ( 10.201 5.611 1.594) 11.751 36.649 ( 9.834 3.725 -2.280) 10.760 36.801 ( -10.042 4.087 0.852) 10.876 36.835 ( -9.366 2.298 -2.110) 9.872 37.644 ( 3.121 -6.967 2.548) 8.049 37.662 ( 2.088 -7.972 1.562) 8.388 37.690 ( 3.116 -7.582 -1.322) 8.303 37.737 ( -1.298 -6.897 -3.502) 7.843 38.395 ( 6.083 1.660 5.593) 8.429 38.499 ( 4.023 4.283 -2.686) 6.461 38.505 ( -4.983 1.884 5.021) 7.320 38.573 ( -3.146 2.316 -0.077) 3.907 38.956 ( 5.289 1.638 0.874) 5.606 39.031 ( 3.180 -1.447 0.340) 3.510 39.070 ( 1.806 -0.436 -1.451) 2.357 39.216 ( -7.618 -2.498 -8.658) 11.800 39.821 ( 5.640 2.712 3.725) 7.283 39.891 ( 3.028 2.589 -0.977) 4.102 39.906 ( -1.474 2.404 1.529) 3.208 39.952 ( -1.721 2.129 -1.718) 3.232 40.544 ( 4.644 -1.520 3.258) 5.873 40.646 ( -0.878 -2.119 -4.222) 4.805 40.656 ( -6.012 -1.881 0.114) 6.301 40.676 ( -3.388 -2.238 -1.498) 4.328 41.947 ( 1.809 1.046 2.594) 3.331 41.969 ( 0.088 -0.142 3.693) 3.697 42.010 ( 2.421 -0.008 -1.378) 2.785 42.075 ( -3.928 -0.423 -3.314) 5.157 42.352 ( 3.607 0.806 5.287) 6.451 42.437 ( -4.916 -1.071 6.586) 8.288 42.490 ( 3.531 -1.353 -6.085) 7.164 42.579 ( -5.604 -2.558 -5.156) 8.033 83.486 ( 2.419 1.271 7.573) 8.051 83.534 ( -2.465 1.414 7.637) 8.148 83.669 ( 2.129 -0.352 -8.443) 8.714 83.693 ( 0.172 -1.881 -5.196) 5.529 83.973 ( 9.563 2.474 9.742) 13.873 84.189 ( 12.252 -1.902 -7.264) 14.370 84.228 ( -16.711 -3.071 15.094) 22.727 84.460 ( -15.592 -5.136 -4.941) 17.143 88.126 ( 11.397 3.369 2.547) 12.155 88.169 ( 15.445 3.525 -1.079) 15.879 88.331 ( -9.669 1.547 6.471) 11.737 88.444 ( -12.796 0.433 -3.052) 13.162 89.004 ( 6.730 -2.804 -1.350) 7.415 89.035 ( 7.160 -2.338 -3.778) 8.427 89.112 ( -4.634 -4.069 0.147) 6.169 89.153 ( -5.569 -2.506 -3.156) 6.874 93.001 ( 4.097 0.627 1.444) 4.389 93.040 ( 0.975 0.522 -1.763) 2.081 93.044 ( 0.688 0.235 0.738) 1.036 93.069 ( -2.798 0.350 -1.200) 3.064 94.363 ( 13.277 -4.890 15.701) 21.136 94.601 ( -11.546 -9.376 17.799) 23.195 94.788 ( 14.700 -15.236 -21.544) 30.205 95.033 ( -11.400 -17.497 -19.623) 28.656 97.082 ( 5.194 11.813 2.466) 13.138 97.103 ( 4.580 10.125 1.413) 11.202 97.240 ( -4.442 15.574 -4.080) 16.701 97.261 ( -4.970 12.574 -4.869) 14.371 98.039 ( 7.272 -5.297 1.057) 9.059 98.053 ( 6.671 -5.113 -0.049) 8.406 98.180 ( -6.804 -4.570 -0.029) 8.196 98.189 ( -6.826 -4.214 -0.699) 8.052 ======================= Grid point 112 (41/48) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 0.000 26.072 22.427) 34.390 2.560 ( 0.000 16.693 29.387) 33.797 2.680 ( 0.000 16.672 -17.688) 24.307 3.139 ( 0.000 14.044 20.274) 24.663 3.150 ( 0.000 -2.859 -20.484) 20.682 3.359 ( 0.000 -5.478 14.001) 15.034 3.490 ( 0.000 7.419 -1.244) 7.522 3.632 ( 0.000 3.944 -7.232) 8.237 3.652 ( 0.000 16.027 18.256) 24.293 3.833 ( 0.000 -12.412 -2.871) 12.739 3.922 ( 0.000 -3.015 -7.841) 8.401 4.019 ( 0.000 -9.783 11.344) 14.980 4.209 ( 0.000 -12.962 -14.920) 19.765 4.401 ( 0.000 1.647 -18.733) 18.805 4.434 ( 0.000 -10.929 3.453) 11.462 4.490 ( 0.000 -4.522 -2.552) 5.193 4.497 ( 0.000 4.413 5.874) 7.347 4.708 ( 0.000 8.881 -14.932) 17.373 4.787 ( 0.000 -1.950 6.667) 6.946 4.986 ( 0.000 7.420 -6.772) 10.046 5.265 ( 0.000 6.565 5.535) 8.586 5.358 ( 0.000 1.663 -0.224) 1.678 5.427 ( 0.000 -8.666 4.893) 9.952 5.488 ( 0.000 -12.485 -0.004) 12.485 5.719 ( 0.000 -1.823 9.328) 9.504 5.721 ( 0.000 0.806 -1.298) 1.528 5.818 ( 0.000 -6.055 -6.206) 8.671 5.912 ( 0.000 -6.363 -8.576) 10.679 6.303 ( 0.000 -3.373 9.981) 10.536 6.456 ( 0.000 -10.985 6.410) 12.718 6.496 ( 0.000 2.720 -6.566) 7.107 6.581 ( 0.000 3.836 -6.726) 7.742 6.696 ( 0.000 9.230 5.168) 10.578 6.929 ( 0.000 2.626 -9.486) 9.842 6.933 ( 0.000 4.223 3.889) 5.741 7.054 ( 0.000 -2.965 -5.155) 5.947 7.161 ( 0.000 6.277 -2.100) 6.619 7.320 ( 0.000 5.334 -14.868) 15.796 7.507 ( 0.000 -5.400 -0.539) 5.427 7.584 ( 0.000 -10.229 -6.067) 11.893 8.127 ( 0.000 -4.269 2.053) 4.736 8.187 ( 0.000 -2.438 10.442) 10.723 8.247 ( 0.000 1.980 -8.160) 8.396 8.399 ( 0.000 -3.184 -8.093) 8.697 9.014 ( 0.000 3.068 13.768) 14.105 9.114 ( 0.000 -2.861 12.819) 13.135 9.237 ( 0.000 4.606 -5.993) 7.558 9.301 ( 0.000 -0.059 -2.870) 2.870 9.970 ( 0.000 6.770 5.869) 8.960 10.102 ( 0.000 10.887 -5.747) 12.310 10.164 ( 0.000 -0.779 11.630) 11.656 10.374 ( 0.000 0.407 -5.315) 5.330 10.641 ( 0.000 0.893 7.565) 7.618 10.776 ( 0.000 -3.107 -3.066) 4.366 10.795 ( 0.000 -5.958 10.518) 12.088 10.946 ( 0.000 -4.994 -1.124) 5.119 11.272 ( 0.000 1.919 -1.834) 2.654 11.315 ( 0.000 -1.522 7.045) 7.208 11.329 ( 0.000 3.748 -5.679) 6.805 11.480 ( 0.000 -3.967 -0.926) 4.074 11.576 ( 0.000 -2.164 0.615) 2.250 11.655 ( 0.000 -4.336 4.326) 6.125 11.736 ( 0.000 -2.364 -6.686) 7.091 11.740 ( 0.000 -3.165 -2.103) 3.800 12.038 ( 0.000 2.325 6.256) 6.674 12.142 ( 0.000 3.754 -2.474) 4.496 12.174 ( 0.000 -3.909 6.533) 7.613 12.348 ( 0.000 -3.901 -8.052) 8.948 12.538 ( 0.000 0.693 2.326) 2.427 12.598 ( 0.000 -0.790 3.430) 3.520 12.619 ( 0.000 -1.528 -4.542) 4.792 12.711 ( 0.000 -2.759 -6.867) 7.401 13.433 ( 0.000 3.733 8.902) 9.653 13.540 ( 0.000 -2.735 8.006) 8.460 13.652 ( 0.000 4.157 -11.358) 12.095 13.762 ( 0.000 -2.525 -12.004) 12.266 13.985 ( 0.000 5.896 14.706) 15.844 14.124 ( 0.000 2.446 4.161) 4.827 14.214 ( 0.000 -1.826 -2.312) 2.946 14.244 ( 0.000 0.521 -7.377) 7.396 14.702 ( 0.000 4.473 10.473) 11.389 15.000 ( 0.000 0.214 -12.953) 12.955 15.002 ( 0.000 -3.043 0.086) 3.045 15.030 ( 0.000 -8.465 1.525) 8.601 15.161 ( 0.000 -0.039 4.655) 4.655 15.237 ( 0.000 -2.334 3.656) 4.338 15.299 ( 0.000 0.691 -5.026) 5.074 15.320 ( 0.000 -0.630 -2.503) 2.581 15.608 ( 0.000 2.042 -0.320) 2.067 15.633 ( 0.000 3.214 -2.416) 4.021 15.697 ( 0.000 -2.865 1.357) 3.170 15.744 ( 0.000 -2.308 -3.094) 3.860 15.906 ( 0.000 1.539 -0.660) 1.675 15.949 ( 0.000 1.145 -3.719) 3.892 16.007 ( 0.000 -2.305 3.033) 3.810 16.039 ( 0.000 -2.873 0.062) 2.874 16.717 ( 0.000 5.110 -0.350) 5.122 16.763 ( 0.000 4.450 -4.236) 6.144 16.925 ( 0.000 -5.241 1.039) 5.343 16.983 ( 0.000 -6.190 -3.744) 7.235 17.349 ( 0.000 3.466 8.055) 8.769 17.481 ( 0.000 -2.097 7.872) 8.147 17.494 ( 0.000 3.444 -4.470) 5.643 17.586 ( 0.000 2.513 3.218) 4.083 17.630 ( 0.000 -0.250 0.101) 0.270 17.724 ( 0.000 -1.102 4.914) 5.036 17.732 ( 0.000 4.315 -6.099) 7.471 17.841 ( 0.000 0.038 -5.364) 5.365 17.981 ( 0.000 1.390 5.708) 5.874 18.080 ( 0.000 -2.670 8.074) 8.504 18.118 ( 0.000 2.926 -5.443) 6.180 18.229 ( 0.000 -2.593 -4.922) 5.564 22.158 ( 0.000 2.671 0.928) 2.828 22.193 ( 0.000 2.964 -2.281) 3.741 22.282 ( 0.000 -3.181 1.947) 3.729 22.332 ( 0.000 -3.599 -2.643) 4.465 22.501 ( 0.000 1.644 2.376) 2.890 22.540 ( 0.000 1.821 -1.098) 2.126 22.564 ( 0.000 -1.147 1.732) 2.077 22.599 ( 0.000 -0.693 -1.393) 1.556 24.166 ( 0.000 5.136 1.134) 5.260 24.206 ( 0.000 4.090 -2.633) 4.864 24.389 ( 0.000 -4.635 0.100) 4.636 24.397 ( 0.000 -5.004 -0.575) 5.037 24.662 ( 0.000 1.134 5.279) 5.400 24.739 ( 0.000 -2.789 3.609) 4.562 24.764 ( 0.000 0.933 -4.039) 4.146 24.808 ( 0.000 -1.089 -2.525) 2.750 25.805 ( 0.000 5.441 3.673) 6.565 25.918 ( 0.000 6.524 -6.689) 9.343 26.048 ( 0.000 -5.071 7.675) 9.199 26.209 ( 0.000 -7.280 -6.403) 9.695 26.879 ( 0.000 -0.536 6.820) 6.841 26.943 ( 0.000 2.423 0.218) 2.433 26.983 ( 0.000 -5.000 -0.150) 5.002 26.996 ( 0.000 -2.969 -1.570) 3.359 27.017 ( 0.000 11.511 2.530) 11.786 27.164 ( 0.000 8.577 -8.696) 12.214 27.346 ( 0.000 -2.684 0.321) 2.703 27.373 ( 0.000 -0.862 -2.105) 2.275 27.652 ( 0.000 2.718 3.665) 4.563 27.727 ( 0.000 3.075 -3.577) 4.717 27.907 ( 0.000 -8.510 5.328) 10.040 28.021 ( 0.000 -6.152 0.654) 6.186 28.109 ( 0.000 1.018 -3.033) 3.199 28.124 ( 0.000 5.872 -0.583) 5.901 28.128 ( 0.000 1.224 -0.237) 1.246 28.138 ( 0.000 5.088 -0.645) 5.128 28.622 ( 0.000 1.374 2.130) 2.535 28.690 ( 0.000 -1.474 -1.832) 2.352 28.700 ( 0.000 1.606 1.638) 2.294 28.752 ( 0.000 -0.995 -3.322) 3.468 28.926 ( 0.000 0.885 10.292) 10.330 29.024 ( 0.000 -1.560 6.774) 6.951 29.060 ( 0.000 0.433 -1.267) 1.339 29.138 ( 0.000 0.190 -4.866) 4.870 29.404 ( 0.000 5.183 -1.008) 5.280 29.504 ( 0.000 8.646 -9.673) 12.974 29.564 ( 0.000 -3.436 8.771) 9.420 29.789 ( 0.000 -3.641 -9.709) 10.369 30.203 ( 0.000 11.973 5.456) 13.158 30.395 ( 0.000 7.324 -11.002) 13.217 30.469 ( 0.000 1.366 8.882) 8.986 30.650 ( 0.000 0.862 -7.140) 7.192 30.882 ( 0.000 -1.474 5.307) 5.507 30.986 ( 0.000 -0.967 -3.473) 3.605 31.113 ( 0.000 -9.689 8.185) 12.684 31.269 ( 0.000 -9.656 -6.262) 11.509 32.838 ( 0.000 5.633 5.819) 8.099 32.986 ( 0.000 7.088 -7.104) 10.035 33.116 ( 0.000 -6.971 7.463) 10.213 33.262 ( 0.000 -5.475 -5.670) 7.882 33.798 ( 0.000 -0.295 6.324) 6.331 33.814 ( 0.000 -0.577 5.963) 5.991 33.915 ( 0.000 -3.433 -3.594) 4.970 33.939 ( 0.000 -4.087 -5.261) 6.662 36.435 ( 0.000 10.993 0.960) 11.035 36.455 ( 0.000 10.210 -0.877) 10.248 36.867 ( 0.000 -8.458 3.016) 8.980 36.930 ( 0.000 -10.075 -2.596) 10.404 37.277 ( 0.000 1.609 7.348) 7.522 37.405 ( 0.000 -5.152 9.330) 10.658 37.457 ( 0.000 3.440 -8.750) 9.402 37.623 ( 0.000 -4.917 -10.423) 11.525 38.238 ( 0.000 6.087 7.650) 9.776 38.431 ( 0.000 6.758 -9.074) 11.314 38.502 ( 0.000 -6.235 5.319) 8.196 38.645 ( 0.000 -3.632 -7.051) 7.931 38.859 ( 0.000 5.783 5.661) 8.093 39.038 ( 0.000 8.350 -10.095) 13.100 39.048 ( 0.000 -3.332 9.712) 10.268 39.284 ( 0.000 -4.110 -11.103) 11.839 39.693 ( 0.000 4.559 1.130) 4.697 39.728 ( 0.000 4.393 -1.922) 4.795 39.876 ( 0.000 -3.116 1.456) 3.440 39.890 ( 0.000 -2.895 0.181) 2.900 40.581 ( 0.000 3.985 9.567) 10.364 40.777 ( 0.000 0.557 -7.305) 7.327 40.778 ( 0.000 -4.606 6.451) 7.926 40.835 ( 0.000 -1.786 2.219) 2.848 41.863 ( 0.000 0.222 -0.208) 0.304 41.929 ( 0.000 4.066 -5.213) 6.611 41.936 ( 0.000 -2.746 8.149) 8.600 42.155 ( 0.000 -6.001 -10.117) 11.763 42.388 ( 0.000 5.600 1.508) 5.799 42.413 ( 0.000 5.398 -0.659) 5.438 42.605 ( 0.000 -5.325 6.117) 8.110 42.707 ( 0.000 -9.000 -2.340) 9.299 83.440 ( 0.000 0.644 6.123) 6.157 83.499 ( 0.000 -2.494 4.575) 5.211 83.577 ( 0.000 -0.122 -1.493) 1.497 83.594 ( 0.000 -0.722 -7.575) 7.609 83.971 ( 0.000 10.641 5.565) 12.008 84.089 ( 0.000 12.841 -4.029) 13.458 84.650 ( 0.000 -22.329 15.071) 26.940 84.832 ( 0.000 -25.641 -0.023) 25.641 87.854 ( 0.000 -1.259 18.845) 18.887 87.885 ( 0.000 -1.631 7.592) 7.765 88.056 ( 0.000 4.839 -6.473) 8.082 88.307 ( 0.000 -5.880 -20.872) 21.685 88.793 ( 0.000 3.102 5.783) 6.563 88.950 ( 0.000 4.416 -7.297) 8.529 89.002 ( 0.000 -9.444 11.772) 15.092 89.213 ( 0.000 -8.916 -7.139) 11.422 92.852 ( 0.000 0.883 4.677) 4.760 92.898 ( 0.000 -1.290 4.299) 4.488 92.979 ( 0.000 0.428 -6.814) 6.827 93.013 ( 0.000 -1.274 -6.056) 6.188 93.941 ( 0.000 14.359 6.913) 15.937 94.070 ( 0.000 16.943 -4.693) 17.581 94.692 ( 0.000 -21.252 12.800) 24.809 94.934 ( 0.000 -24.825 -8.580) 26.266 97.124 ( 0.000 12.810 1.082) 12.856 97.132 ( 0.000 12.881 0.455) 12.890 97.578 ( 0.000 -8.682 1.080) 8.749 97.595 ( 0.000 -9.035 -0.427) 9.045 97.797 ( 0.000 17.117 3.154) 17.405 97.957 ( 0.000 17.145 -11.825) 20.828 98.302 ( 0.000 -8.035 1.792) 8.233 98.364 ( 0.000 -5.352 -3.749) 6.535 ======================= Grid point 113 (42/48) ======================= q-point: ( 0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 9.263 23.882 21.705) 33.574 2.680 ( 9.353 19.947 20.982) 30.423 2.760 ( 9.569 15.463 -16.267) 24.399 3.051 ( 0.241 5.769 6.087) 8.390 3.307 ( 1.218 16.216 -5.800) 17.265 3.347 ( 6.269 -7.825 5.038) 11.221 3.508 ( 0.371 0.182 0.237) 0.476 3.664 ( 4.042 2.302 3.695) 5.940 3.693 ( -11.792 -7.842 -4.479) 14.853 3.805 ( 10.463 3.360 5.552) 12.312 3.897 ( 3.851 -5.219 -4.247) 7.752 4.126 ( -1.095 -2.279 -4.674) 5.314 4.247 ( 3.487 -6.940 -3.488) 8.514 4.296 ( -9.270 -1.717 0.106) 9.428 4.378 ( 5.843 -1.392 1.269) 6.140 4.521 ( 10.012 -1.029 -6.178) 11.810 4.658 ( 8.478 -2.591 1.761) 9.038 4.787 ( 10.030 5.733 -6.010) 13.023 4.967 ( 10.639 0.822 -1.999) 10.856 5.058 ( 6.623 6.779 -0.760) 9.508 5.263 ( -4.970 -3.068 9.292) 10.975 5.354 ( 4.271 1.103 2.249) 4.951 5.390 ( -4.281 -5.232 2.625) 7.252 5.514 ( 0.537 -13.747 -4.248) 14.399 5.669 ( -7.431 1.807 1.101) 7.726 5.725 ( -1.533 -0.778 -3.173) 3.609 5.831 ( 6.911 -5.010 4.348) 9.579 5.960 ( 1.565 -10.173 -5.712) 11.771 6.205 ( -5.292 2.741 9.180) 10.945 6.361 ( -9.027 -0.417 -2.712) 9.435 6.515 ( 1.742 -2.832 2.396) 4.098 6.584 ( -0.603 -2.674 -4.848) 5.569 6.724 ( -4.896 3.476 -4.155) 7.302 6.825 ( -4.007 5.758 -5.722) 9.053 6.923 ( -0.186 2.097 -2.004) 2.906 6.986 ( -0.931 3.751 -4.871) 6.218 7.254 ( 3.416 4.447 -0.712) 5.652 7.320 ( 9.879 2.827 -0.854) 10.311 7.582 ( 5.770 -4.969 -1.301) 7.725 7.698 ( 7.451 -9.962 -9.025) 15.369 8.115 ( -0.176 -0.957 5.550) 5.635 8.219 ( 1.433 -3.899 8.608) 9.558 8.279 ( 2.621 3.759 -9.530) 10.575 8.444 ( 2.368 -3.605 -10.419) 11.276 8.909 ( -11.629 3.601 12.212) 17.243 8.957 ( -12.671 1.129 9.963) 16.158 9.155 ( -9.152 1.002 1.715) 9.365 9.220 ( -10.685 -2.461 -1.625) 11.084 9.925 ( -2.910 6.759 3.959) 8.357 10.006 ( -5.425 8.730 0.126) 10.280 10.220 ( 2.597 -0.296 5.596) 6.176 10.379 ( -1.342 -3.195 -5.030) 6.108 10.571 ( -8.474 2.387 5.078) 10.163 10.629 ( -9.645 -4.825 -0.097) 10.785 10.737 ( -7.310 -4.260 4.548) 9.605 10.861 ( -8.027 -4.695 -5.150) 10.630 11.198 ( -6.589 2.806 1.028) 7.236 11.294 ( -3.001 5.935 -7.441) 9.980 11.338 ( 0.829 -2.523 7.022) 7.507 11.511 ( -0.043 -3.320 -5.900) 6.770 11.566 ( -0.951 -1.863 4.354) 4.831 11.619 ( -2.428 -3.120 0.807) 4.035 11.656 ( -4.818 -1.670 -2.107) 5.518 11.718 ( -2.993 -4.252 -6.849) 8.599 12.079 ( 4.810 4.622 4.673) 8.145 12.131 ( 2.895 3.687 -1.000) 4.793 12.321 ( 8.050 -3.172 3.743) 9.428 12.397 ( 4.001 -5.923 -2.881) 7.706 12.495 ( -2.584 2.651 3.397) 5.024 12.603 ( -0.958 -1.467 -4.913) 5.216 12.637 ( 2.564 -2.704 2.997) 4.782 12.736 ( 2.042 -3.747 -5.848) 7.239 13.420 ( -0.537 3.480 9.122) 9.778 13.555 ( 1.588 -1.036 2.965) 3.519 13.663 ( 1.417 0.413 -6.950) 7.105 13.709 ( -3.836 -2.036 -5.240) 6.806 13.955 ( -3.020 5.097 13.345) 14.601 14.147 ( -0.823 0.429 1.217) 1.530 14.181 ( -2.315 -1.563 -2.667) 3.863 14.215 ( -3.153 -1.118 -5.361) 6.319 14.711 ( 1.880 5.444 6.823) 8.929 14.913 ( -2.032 4.407 -9.016) 10.239 14.993 ( -2.695 -5.611 6.612) 9.081 15.118 ( 3.335 -4.580 -5.077) 7.608 15.171 ( 1.473 -0.128 2.630) 3.017 15.254 ( -1.586 2.222 -2.806) 3.915 15.276 ( 2.428 -2.288 1.859) 3.819 15.350 ( 1.048 -1.578 -2.400) 3.057 15.643 ( 1.333 2.213 0.055) 2.583 15.654 ( 4.416 2.222 -1.159) 5.078 15.735 ( 2.584 -0.852 -0.080) 2.722 15.752 ( 1.409 -1.630 -2.143) 3.039 15.914 ( 1.566 1.378 2.177) 3.016 15.974 ( 2.555 0.131 -1.836) 3.149 16.058 ( 4.701 -3.244 1.263) 5.850 16.103 ( 5.262 -4.342 -1.971) 7.101 16.780 ( 5.886 4.260 -1.325) 7.386 16.791 ( 3.007 4.596 -2.376) 5.984 16.945 ( 1.797 -3.974 0.655) 4.411 16.991 ( 0.787 -5.038 -3.165) 6.001 17.332 ( -1.471 4.457 6.932) 8.372 17.455 ( -2.923 3.432 -2.280) 5.052 17.492 ( 0.300 -1.797 5.883) 6.158 17.582 ( -0.357 1.529 3.705) 4.024 17.623 ( -0.882 -0.475 0.428) 1.089 17.717 ( -0.221 -1.821 3.497) 3.949 17.737 ( 0.779 3.132 -6.521) 7.276 17.815 ( -2.117 0.068 -4.723) 5.176 17.971 ( -1.222 1.669 5.692) 6.057 18.058 ( -2.151 -1.918 7.262) 7.813 18.109 ( -1.038 2.587 -5.509) 6.174 18.201 ( -2.796 -1.830 -5.025) 6.035 22.197 ( 3.740 2.121 0.529) 4.332 22.220 ( 2.727 2.582 -1.546) 4.062 22.304 ( 2.178 -2.871 1.827) 4.040 22.349 ( 1.738 -3.496 -2.293) 4.527 22.497 ( -0.363 1.575 2.280) 2.795 22.535 ( -0.467 1.535 -0.866) 1.823 22.564 ( -0.115 -1.039 1.159) 1.561 22.594 ( -0.499 -0.692 -1.349) 1.596 24.190 ( 2.457 4.827 1.624) 5.655 24.239 ( 3.230 3.317 -2.967) 5.499 24.404 ( 1.567 -4.210 0.032) 4.492 24.410 ( 1.316 -4.785 -0.433) 4.982 24.638 ( -2.438 0.882 3.944) 4.720 24.709 ( -5.075 1.437 -2.371) 5.783 24.716 ( -2.353 -2.974 3.076) 4.883 24.782 ( -2.985 -1.890 -2.720) 4.459 25.880 ( 7.573 5.620 3.157) 9.945 25.977 ( 6.220 6.758 -5.780) 10.852 26.117 ( 7.082 -4.855 7.000) 11.078 26.264 ( 5.702 -6.648 -5.839) 10.526 26.838 ( -5.117 2.865 8.091) 9.993 26.945 ( 0.289 0.570 2.083) 2.179 26.991 ( -3.603 -0.578 -5.081) 6.256 26.999 ( 1.528 0.553 -2.576) 3.045 27.079 ( 5.149 4.629 0.657) 6.955 27.119 ( 0.740 5.377 -3.419) 6.415 27.387 ( 1.755 -4.234 -0.358) 4.598 27.399 ( 2.527 -3.490 -1.477) 4.555 27.657 ( 1.250 3.003 3.155) 4.531 27.732 ( 1.709 4.204 -3.848) 5.950 27.937 ( 2.106 -7.061 4.203) 8.483 28.033 ( 0.972 -5.357 -0.604) 5.478 28.088 ( -1.187 3.618 0.657) 3.864 28.118 ( -0.152 6.080 -0.145) 6.084 28.133 ( 0.919 2.969 2.031) 3.713 28.198 ( 4.117 -0.619 -2.705) 4.965 28.535 ( -6.929 2.648 2.878) 7.957 28.602 ( -6.889 -0.041 1.695) 7.094 28.650 ( -5.762 -0.941 -3.470) 6.792 28.685 ( -5.551 -1.555 -4.043) 7.041 28.939 ( 1.017 3.243 7.217) 7.978 29.080 ( 2.313 1.905 -3.813) 4.850 29.110 ( 5.744 -3.941 6.527) 9.546 29.194 ( 4.802 0.334 -0.602) 4.851 29.372 ( -3.431 4.723 -0.717) 5.882 29.516 ( 0.698 4.572 -8.265) 9.471 29.549 ( -1.397 -2.960 7.022) 7.747 29.758 ( -3.158 -3.868 -8.565) 9.914 30.210 ( 1.009 12.876 5.238) 13.937 30.368 ( -1.922 8.452 -6.949) 11.109 30.512 ( 3.499 2.190 5.062) 6.532 30.657 ( 0.291 2.987 -6.348) 7.022 30.798 ( -6.947 -0.427 4.974) 8.554 30.897 ( -7.769 -0.681 -3.241) 8.445 31.104 ( -1.901 -9.585 7.679) 12.428 31.252 ( -1.985 -9.839 -5.755) 11.570 32.874 ( 3.665 5.309 5.533) 8.499 33.013 ( 2.725 6.218 -6.597) 9.466 33.150 ( 3.476 -7.257 6.127) 10.114 33.267 ( 0.707 -5.311 -4.269) 6.850 33.716 ( -7.936 0.600 5.845) 9.874 33.768 ( -4.975 -1.415 5.785) 7.760 33.819 ( -8.559 -1.217 -2.891) 9.116 33.899 ( -4.438 -4.673 -5.688) 8.596 36.481 ( 4.737 11.047 0.863) 12.051 36.499 ( 4.525 10.042 -0.810) 11.044 36.931 ( 4.613 -8.983 1.202) 10.169 36.963 ( 2.407 -9.250 -1.572) 9.687 37.294 ( 2.395 0.284 6.571) 7.000 37.423 ( 1.825 -4.830 7.730) 9.296 37.456 ( 0.288 1.257 -7.247) 7.361 37.624 ( -0.119 -5.393 -9.653) 11.058 38.270 ( 3.282 5.684 7.979) 10.332 38.456 ( 2.435 5.782 -7.266) 9.600 38.518 ( 1.675 -5.197 4.953) 7.372 38.653 ( 0.277 -2.924 -4.813) 5.638 38.850 ( 0.075 5.706 4.532) 7.287 39.028 ( -0.721 7.379 -9.358) 11.939 39.058 ( 0.447 -3.322 7.672) 8.372 39.280 ( -0.761 -4.585 -10.921) 11.869 39.716 ( 2.445 4.542 1.942) 5.512 39.767 ( 4.055 4.277 -2.582) 6.435 39.895 ( 1.904 -2.542 1.312) 3.436 39.909 ( 1.963 -2.185 -0.123) 2.940 40.558 ( -2.181 3.546 9.114) 10.020 40.732 ( -3.737 -2.234 0.231) 4.359 40.764 ( -2.280 -1.961 -1.632) 3.421 40.809 ( -2.864 -1.970 1.230) 3.687 41.877 ( 1.529 0.142 0.336) 1.572 41.932 ( 0.653 1.685 0.631) 1.914 41.953 ( 1.399 -0.300 2.865) 3.203 42.148 ( -0.871 -5.066 -8.652) 10.064 42.384 ( -0.448 5.048 1.118) 5.190 42.408 ( -0.338 4.317 -1.101) 4.468 42.575 ( -2.971 -4.654 5.614) 7.874 42.673 ( -3.379 -7.869 -2.390) 8.891 83.447 ( 0.809 0.928 6.180) 6.301 83.516 ( 1.862 -2.658 4.682) 5.697 83.584 ( 0.656 0.116 -1.222) 1.391 83.604 ( 1.005 -0.686 -6.672) 6.782 83.977 ( 0.739 9.456 4.378) 10.447 84.085 ( -0.474 11.685 -4.165) 12.414 84.577 ( -7.910 -20.370 14.228) 26.076 84.729 ( -9.325 -19.655 1.089) 21.782 87.820 ( 4.280 5.709 10.322) 12.548 88.026 ( 0.690 5.668 -5.950) 8.246 88.123 ( 13.528 -7.829 8.547) 17.815 88.408 ( 7.428 -10.004 -15.065) 19.550 88.796 ( 0.960 4.374 5.360) 6.985 88.942 ( -0.445 4.723 -6.204) 7.810 89.029 ( 1.988 -8.316 8.139) 11.805 89.200 ( -1.406 -7.786 -6.310) 10.121 92.877 ( 2.534 0.997 4.350) 5.132 92.930 ( 3.052 -1.495 4.379) 5.543 92.993 ( 1.473 0.648 -6.188) 6.394 93.044 ( 2.653 -1.935 -5.855) 6.713 94.032 ( 8.973 8.994 3.278) 13.121 94.103 ( 3.498 14.044 -2.933) 14.768 94.653 ( -3.989 -19.351 12.511) 23.386 94.898 ( -3.740 -23.852 -9.075) 25.793 97.155 ( 3.281 13.049 1.082) 13.499 97.162 ( 3.113 13.227 0.607) 13.602 97.609 ( 2.887 -6.730 0.676) 7.355 97.622 ( 2.468 -7.096 -0.373) 7.522 97.776 ( -1.881 14.246 2.637) 14.610 97.913 ( -4.202 15.055 -10.195) 18.661 98.267 ( -3.614 -8.188 1.450) 9.066 98.322 ( -4.352 -5.833 -3.460) 8.058 ======================= Grid point 114 (43/48) ======================= q-point: ( 0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 18.814 19.104 15.450) 30.946 2.823 ( 7.296 19.088 2.574) 20.597 3.053 ( 16.970 14.536 2.414) 22.475 3.155 ( 9.812 4.069 7.354) 12.920 3.326 ( 1.644 10.770 -2.084) 11.092 3.395 ( 1.490 4.018 -0.240) 4.292 3.464 ( -11.963 -4.808 -2.465) 13.126 3.577 ( 5.941 9.392 -16.287) 19.717 3.786 ( 2.256 -8.439 -2.515) 9.090 3.855 ( -3.341 -12.748 -5.647) 14.338 3.945 ( 8.223 -6.165 1.662) 10.411 4.054 ( -4.443 -0.459 -5.746) 7.278 4.288 ( 7.280 10.685 6.460) 14.453 4.374 ( 9.156 2.737 -2.888) 9.983 4.639 ( 11.905 1.089 11.478) 16.573 4.716 ( 6.106 -0.036 1.070) 6.199 4.763 ( 3.827 0.683 0.003) 3.887 4.927 ( 0.438 0.436 -2.988) 3.051 5.048 ( -3.324 2.664 -3.278) 5.375 5.109 ( -1.852 2.864 -4.519) 5.661 5.206 ( -5.079 -6.897 2.129) 8.826 5.257 ( -4.314 -6.557 1.806) 8.054 5.441 ( -1.115 -10.646 -2.270) 10.942 5.486 ( 7.832 -6.689 -1.301) 10.381 5.594 ( 1.367 0.924 8.906) 9.058 5.728 ( 1.009 -1.680 -2.741) 3.369 5.929 ( 3.367 -9.570 3.560) 10.752 5.969 ( 1.300 -9.062 0.871) 9.196 6.139 ( -7.494 7.590 1.451) 10.765 6.187 ( -4.373 7.607 -2.844) 9.224 6.438 ( -11.253 -3.697 -0.558) 11.857 6.516 ( -7.098 -3.472 -5.193) 9.455 6.726 ( 10.976 6.023 10.615) 16.414 6.849 ( 9.173 2.153 3.469) 10.040 7.050 ( 10.303 2.042 -6.198) 12.196 7.073 ( 13.819 1.458 -10.146) 17.205 7.451 ( 13.746 1.243 7.758) 15.833 7.495 ( 7.541 1.119 9.157) 11.915 7.698 ( 5.557 -2.134 -2.069) 6.302 7.829 ( 6.107 -5.740 -8.694) 12.076 8.116 ( -0.171 1.401 3.544) 3.815 8.202 ( -2.658 -2.967 4.102) 5.718 8.280 ( -4.284 2.591 -9.231) 10.502 8.377 ( -10.679 -1.042 -8.080) 13.432 8.608 ( -16.180 0.797 12.899) 20.708 8.699 ( -18.417 -1.588 16.178) 24.565 8.875 ( -14.991 2.724 -7.164) 16.836 8.978 ( -15.565 -2.069 -5.870) 16.763 9.885 ( 0.395 4.721 4.158) 6.303 9.975 ( 1.169 5.151 -2.379) 5.793 10.228 ( -5.654 0.735 3.361) 6.618 10.273 ( -4.653 -9.730 0.058) 10.785 10.379 ( -9.483 1.734 1.452) 9.749 10.486 ( -6.363 -3.233 -6.485) 9.643 10.587 ( -7.546 -3.883 -0.219) 8.489 10.676 ( -10.531 -5.252 -7.178) 13.784 11.095 ( -2.715 5.771 1.798) 6.626 11.214 ( -4.223 6.836 -8.233) 11.504 11.320 ( -4.306 -1.976 4.780) 6.730 11.476 ( -6.342 1.035 -6.866) 9.403 11.514 ( -2.588 -0.965 -0.610) 2.829 11.526 ( 0.341 -0.932 -1.452) 1.758 11.656 ( -0.018 -4.414 -1.287) 4.597 11.685 ( -0.877 -3.777 -3.506) 5.227 12.181 ( 5.218 5.618 2.475) 8.057 12.212 ( 4.894 4.544 -0.814) 6.728 12.398 ( 0.729 0.471 3.026) 3.148 12.436 ( -1.224 3.520 -1.797) 4.137 12.512 ( 4.443 -6.335 5.590) 9.546 12.608 ( 1.951 -5.630 -2.339) 6.401 12.682 ( 2.059 -4.788 3.389) 6.217 12.763 ( 0.235 -6.125 -4.001) 7.320 13.442 ( 3.141 3.467 9.070) 10.205 13.593 ( 2.077 3.206 -1.786) 4.217 13.651 ( -0.150 -2.107 1.723) 2.726 13.733 ( 4.102 -0.401 -3.468) 5.386 13.891 ( -2.610 -0.168 11.706) 11.994 14.069 ( -6.116 0.264 -2.638) 6.666 14.087 ( -6.658 -5.956 2.438) 9.260 14.158 ( -4.364 -2.902 -5.469) 7.575 14.784 ( 5.420 5.644 3.785) 8.693 14.911 ( 1.106 6.200 -5.857) 8.600 14.960 ( -0.860 -0.570 4.750) 4.861 15.093 ( -4.197 0.272 -4.691) 6.301 15.214 ( 2.575 -0.109 1.279) 2.878 15.260 ( 1.454 0.779 -1.608) 2.304 15.310 ( 0.848 -2.341 0.395) 2.521 15.351 ( -0.887 -1.754 -1.808) 2.671 15.681 ( 2.635 2.050 3.158) 4.596 15.745 ( 4.461 2.613 -1.146) 5.295 15.773 ( 2.019 0.858 -0.743) 2.316 15.788 ( 1.278 3.145 -0.522) 3.435 15.979 ( 5.013 -1.299 3.238) 6.108 16.033 ( 3.551 -1.837 -0.506) 4.030 16.143 ( 3.252 -4.969 0.875) 6.002 16.180 ( 2.060 -6.159 -2.077) 6.819 16.861 ( 3.873 4.646 0.240) 6.053 16.898 ( 5.570 3.522 -2.777) 7.152 16.980 ( 1.553 -1.283 0.423) 2.058 17.009 ( 0.939 -2.271 -2.068) 3.211 17.314 ( 0.258 4.916 4.417) 6.614 17.403 ( -1.728 3.943 -2.813) 5.143 17.483 ( -1.825 -2.224 6.036) 6.686 17.572 ( -1.602 -2.854 -0.400) 3.297 17.608 ( 0.664 2.046 5.806) 6.191 17.729 ( 1.374 -3.167 2.371) 4.188 17.766 ( 2.283 1.095 -6.438) 6.918 17.797 ( 0.726 -0.253 -3.019) 3.115 17.932 ( -2.381 2.314 4.704) 5.758 18.005 ( -3.267 -0.781 5.286) 6.263 18.074 ( -2.768 2.033 -6.209) 7.095 18.131 ( -4.435 -0.652 -5.316) 6.954 22.269 ( 3.542 1.597 0.841) 3.976 22.294 ( 4.848 1.563 -1.242) 5.243 22.352 ( 2.574 -1.963 1.703) 3.658 22.386 ( 1.716 -2.682 -1.250) 3.420 22.490 ( -0.106 0.983 1.641) 1.916 22.523 ( -0.757 1.102 -0.994) 1.666 22.555 ( -0.903 -1.067 0.441) 1.466 22.580 ( -1.020 -0.796 -1.459) 1.950 24.256 ( 4.461 4.055 2.402) 6.489 24.312 ( 4.286 2.106 -2.639) 5.456 24.439 ( 1.905 -2.801 0.618) 3.443 24.451 ( 3.070 -4.422 -0.621) 5.419 24.578 ( -3.691 0.054 1.163) 3.870 24.596 ( -6.316 2.032 -0.363) 6.645 24.657 ( -3.695 -3.424 1.950) 5.402 24.704 ( -4.917 -2.860 -2.124) 6.072 26.067 ( 11.782 5.982 2.451) 13.439 26.140 ( 10.672 7.333 -4.192) 13.610 26.297 ( 11.551 -4.408 5.808) 13.660 26.417 ( 10.209 -5.220 -4.773) 12.420 26.706 ( -8.431 5.778 6.170) 11.938 26.832 ( -10.980 5.983 -5.137) 13.519 26.913 ( -4.783 -2.735 3.644) 6.606 26.990 ( -3.783 -2.231 -3.351) 5.524 27.199 ( 7.264 3.458 0.015) 8.045 27.226 ( 8.041 0.556 -2.165) 8.346 27.401 ( 0.515 -4.230 1.289) 4.452 27.448 ( 2.323 -4.412 -2.860) 5.749 27.711 ( 4.347 2.293 3.445) 6.002 27.801 ( 4.563 3.386 -3.880) 6.881 27.956 ( -0.328 -3.106 2.265) 3.859 28.028 ( -2.093 -1.034 -4.647) 5.201 28.082 ( 0.478 3.124 5.217) 6.099 28.128 ( 1.901 4.962 1.075) 5.421 28.159 ( 1.352 -0.839 6.052) 6.257 28.258 ( 1.488 -1.746 0.961) 2.488 28.424 ( -4.588 3.158 -0.192) 5.573 28.474 ( -5.452 -0.425 2.543) 6.031 28.544 ( -4.416 -2.335 -6.171) 7.939 28.578 ( -5.107 -2.395 -6.146) 8.342 28.957 ( 1.242 5.183 5.643) 7.762 29.114 ( 0.835 3.769 -6.903) 7.909 29.169 ( 0.745 -2.619 2.881) 3.964 29.277 ( -6.468 3.420 -0.893) 7.370 29.310 ( 6.648 -1.151 3.395) 7.553 29.499 ( -1.951 -5.734 6.753) 9.071 29.529 ( -1.020 0.110 -7.197) 7.270 29.679 ( -4.968 -4.389 -5.811) 8.816 30.253 ( 3.705 14.760 3.705) 15.663 30.344 ( -0.356 10.750 -3.260) 11.239 30.531 ( -3.606 11.079 3.610) 12.198 30.614 ( -6.215 13.261 -3.677) 15.100 30.727 ( 2.083 -6.215 2.787) 7.123 30.801 ( 0.310 -7.109 -3.291) 7.840 31.035 ( -5.132 -8.893 7.370) 12.639 31.183 ( -5.547 -10.489 -5.821) 13.216 32.969 ( 6.280 4.571 4.833) 9.149 33.084 ( 4.719 4.546 -5.199) 8.365 33.229 ( 4.136 -7.133 3.813) 9.084 33.299 ( 2.499 -5.370 -2.430) 6.402 33.542 ( -9.014 2.078 4.994) 10.512 33.615 ( -9.809 0.284 0.627) 9.833 33.669 ( -7.229 -1.378 2.457) 7.759 33.784 ( -7.349 -5.651 -5.841) 10.957 36.600 ( 7.487 10.403 0.510) 12.827 36.612 ( 7.121 8.981 -0.648) 11.480 36.962 ( -1.698 -3.808 0.174) 4.173 36.972 ( -2.233 -3.838 -0.714) 4.497 37.383 ( 6.451 -5.412 3.133) 8.984 37.465 ( 2.280 -5.151 4.189) 7.020 37.477 ( 1.756 -4.567 -3.441) 5.982 37.613 ( -1.131 -6.611 -7.529) 10.083 38.353 ( 5.198 4.754 8.408) 10.969 38.512 ( 3.220 3.437 -2.793) 5.476 38.558 ( 2.151 -2.736 3.817) 5.166 38.630 ( -2.898 0.257 2.309) 3.714 38.897 ( 4.992 2.832 -1.326) 5.891 39.016 ( -0.464 6.333 -9.298) 11.260 39.055 ( -0.732 -3.613 5.576) 6.684 39.243 ( -3.359 -4.752 -10.161) 11.710 39.788 ( 5.103 4.509 3.722) 7.761 39.861 ( 5.311 3.196 -2.052) 6.529 39.940 ( 2.405 -0.122 1.158) 2.672 39.957 ( 2.824 -0.791 -1.077) 3.125 40.514 ( -1.849 2.016 7.145) 7.650 40.650 ( -4.394 -2.753 0.142) 5.187 40.699 ( -4.366 -2.043 -3.072) 5.716 40.729 ( -5.498 -2.283 -0.555) 5.979 41.917 ( 2.627 0.084 1.691) 3.125 41.954 ( 1.561 1.355 1.992) 2.871 41.981 ( 1.348 0.163 2.362) 2.725 42.117 ( -2.422 -2.873 -4.936) 6.204 42.375 ( -0.359 4.098 0.890) 4.209 42.411 ( 0.817 1.088 -2.454) 2.806 42.504 ( -4.165 -2.948 4.102) 6.547 42.595 ( -4.512 -5.658 -3.045) 7.852 83.474 ( 2.084 1.633 6.471) 6.992 83.566 ( 3.145 -2.488 4.664) 6.151 83.597 ( 0.658 0.510 1.720) 1.911 83.630 ( 1.657 -0.579 -5.939) 6.193 84.005 ( 2.222 6.814 1.363) 7.296 84.078 ( 0.404 7.292 -4.392) 8.522 84.372 ( -12.484 -12.295 13.065) 21.856 84.536 ( -10.877 -12.816 -1.256) 16.856 87.991 ( 12.344 7.164 4.662) 15.014 88.092 ( 6.636 8.210 -3.518) 11.127 88.332 ( 7.021 -7.976 7.201) 12.836 88.493 ( 0.552 -9.176 -5.535) 10.731 88.857 ( 5.498 2.132 0.020) 5.897 88.939 ( 0.291 3.951 -5.386) 6.686 89.049 ( -0.252 -6.618 4.050) 7.763 89.158 ( -3.193 -5.720 -4.962) 8.218 92.941 ( 4.071 1.184 3.341) 5.398 92.996 ( 3.502 -1.189 3.687) 5.222 93.028 ( 1.935 1.011 -4.438) 4.946 93.083 ( 0.992 -1.349 -3.964) 4.303 94.181 ( 5.659 7.265 2.036) 9.431 94.252 ( 12.078 -2.667 -4.240) 13.076 94.554 ( -6.188 -14.563 11.216) 19.395 94.800 ( -6.481 -21.356 -10.179) 24.529 97.242 ( 5.781 13.656 1.371) 14.892 97.246 ( 5.725 13.967 1.068) 15.133 97.629 ( -2.754 9.793 -0.851) 10.208 97.650 ( -1.145 5.062 -1.989) 5.558 97.779 ( 3.858 -3.604 1.645) 5.530 97.845 ( -0.806 1.947 -5.028) 5.451 98.173 ( -6.160 -8.552 0.552) 10.554 98.210 ( -7.242 -6.972 -2.726) 10.416 ======================= Grid point 115 (44/48) ======================= q-point: ( 0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 17.043 10.882 6.979) 21.391 2.979 ( 9.113 12.403 2.971) 15.675 3.150 ( -6.154 8.079 7.026) 12.349 3.217 ( -12.532 6.688 0.061) 14.205 3.324 ( 7.294 1.536 6.352) 9.793 3.390 ( 3.364 4.955 2.185) 6.375 3.547 ( 2.685 8.627 -6.634) 11.209 3.626 ( -3.822 2.936 -11.616) 12.576 3.788 ( 12.930 3.999 0.702) 13.553 3.924 ( 15.417 6.994 -10.932) 20.152 4.113 ( -3.602 4.431 -1.650) 5.944 4.182 ( 3.161 2.775 -6.884) 8.067 4.261 ( 2.879 -2.416 8.566) 9.354 4.464 ( 4.074 -4.247 -7.921) 9.868 4.557 ( -14.559 -2.677 4.862) 15.581 4.720 ( -11.297 -3.042 -7.244) 13.760 4.802 ( 2.593 5.572 5.624) 8.331 4.888 ( -10.622 2.686 0.140) 10.957 4.911 ( 0.362 2.387 -5.404) 5.919 4.977 ( -3.082 0.939 -4.212) 5.303 5.248 ( 8.747 -11.404 2.731) 14.630 5.340 ( 7.434 -15.200 -2.344) 17.082 5.413 ( -3.721 -14.686 0.310) 15.153 5.509 ( -5.641 -14.655 -5.579) 16.665 5.756 ( 14.077 5.812 8.521) 17.452 5.851 ( 10.061 4.127 1.902) 11.040 5.968 ( -6.883 4.425 5.925) 10.102 6.003 ( 3.134 -2.488 2.834) 4.904 6.070 ( 6.463 -0.198 0.582) 6.492 6.126 ( -2.732 5.200 -4.717) 7.534 6.190 ( -12.043 -1.414 3.791) 12.704 6.318 ( -12.915 -0.567 -5.630) 14.101 7.086 ( 22.970 1.964 15.069) 27.542 7.161 ( 22.587 0.936 10.401) 24.885 7.289 ( 13.048 2.308 2.755) 13.534 7.372 ( 8.759 0.584 -0.465) 8.791 7.545 ( -3.240 2.868 10.988) 11.810 7.593 ( -6.853 2.654 10.934) 13.174 7.666 ( -6.229 -1.855 6.415) 9.132 7.781 ( -12.270 -4.497 4.233) 13.736 8.104 ( 1.432 0.895 2.919) 3.373 8.202 ( -0.066 -3.747 -0.754) 3.823 8.233 ( 10.213 1.182 -7.207) 12.555 8.290 ( -4.795 -0.362 1.831) 5.145 8.354 ( 1.707 -0.761 -7.593) 7.820 8.373 ( -10.977 -1.956 0.799) 11.179 8.594 ( -17.188 0.515 -14.019) 22.186 8.641 ( -18.816 -0.611 -13.420) 23.119 9.965 ( 6.860 2.119 2.834) 7.719 10.008 ( 1.706 4.025 -1.715) 4.696 10.087 ( -4.209 0.670 1.790) 4.623 10.164 ( -9.586 -0.812 -3.172) 10.129 10.314 ( 2.443 -3.258 2.724) 4.900 10.381 ( -4.647 -4.347 -0.052) 6.363 10.482 ( -2.807 -6.571 -6.978) 9.987 10.512 ( -5.871 -7.446 -7.787) 12.270 11.114 ( 3.918 7.504 -1.146) 8.543 11.176 ( 0.620 5.111 -5.359) 7.432 11.211 ( -4.710 4.025 -1.338) 6.338 11.303 ( -9.308 2.181 -8.221) 12.609 11.554 ( 3.612 -1.623 0.081) 3.961 11.572 ( 3.894 -2.551 -1.349) 4.846 11.620 ( -3.096 -3.384 -0.085) 4.588 11.648 ( -3.384 -3.767 -2.894) 5.832 12.275 ( 4.640 5.438 2.351) 7.525 12.297 ( 3.610 4.955 0.604) 6.160 12.374 ( -2.256 5.546 -0.757) 6.035 12.395 ( -3.136 4.818 -1.910) 6.058 12.598 ( 4.650 -7.602 6.344) 10.939 12.650 ( 0.631 -8.129 3.171) 8.748 12.707 ( 0.901 -7.894 0.660) 7.973 12.739 ( -2.189 -8.572 -2.576) 9.214 13.527 ( 5.198 5.145 9.331) 11.856 13.608 ( -2.504 6.265 7.417) 10.027 13.686 ( 5.038 3.350 -2.831) 6.680 13.778 ( -1.738 2.208 -5.632) 6.294 13.900 ( 3.167 -6.827 5.333) 9.224 13.964 ( -1.957 -5.570 3.078) 6.658 13.978 ( -4.215 -7.081 1.405) 8.360 14.050 ( -6.419 -5.106 -3.103) 8.769 14.892 ( 5.679 4.753 1.204) 7.503 14.933 ( 0.963 5.148 -2.147) 5.660 14.950 ( -0.339 3.140 0.889) 3.281 15.002 ( -5.203 3.325 -2.448) 6.642 15.266 ( 2.882 -0.530 -0.013) 2.931 15.287 ( 1.280 -0.312 -1.381) 1.909 15.309 ( -0.785 -1.453 -0.828) 1.848 15.319 ( -2.398 -1.451 -1.257) 3.071 15.736 ( 2.952 3.625 4.200) 6.285 15.780 ( -1.271 4.424 2.466) 5.222 15.806 ( 1.566 2.860 0.331) 3.278 15.811 ( 1.057 3.664 -1.884) 4.253 16.082 ( 5.314 -4.123 1.776) 6.956 16.104 ( 3.708 -4.183 0.132) 5.591 16.161 ( -1.389 -5.294 0.522) 5.498 16.171 ( -2.621 -5.948 -0.519) 6.520 16.927 ( 3.245 4.450 0.965) 5.591 16.972 ( 1.309 2.904 -1.516) 3.527 16.984 ( -0.282 2.760 -0.867) 2.907 17.011 ( -0.810 1.028 -1.931) 2.333 17.351 ( 3.117 2.512 3.358) 5.225 17.407 ( -0.328 0.424 1.420) 1.518 17.438 ( 0.074 -1.030 0.332) 1.085 17.510 ( -4.418 -3.313 -3.265) 6.415 17.665 ( 4.688 2.072 8.341) 9.790 17.751 ( -2.041 0.515 6.401) 6.738 17.787 ( 0.666 -2.171 2.159) 3.133 17.812 ( 0.568 -1.429 -1.584) 2.207 17.942 ( 3.770 1.271 -2.757) 4.840 17.960 ( -0.250 0.573 -0.912) 1.106 18.010 ( -3.695 1.452 -6.931) 7.987 18.039 ( -5.197 -0.001 -5.251) 7.388 22.331 ( 2.959 1.360 1.993) 3.818 22.372 ( -0.457 0.497 1.665) 1.797 22.376 ( 2.761 0.349 -1.220) 3.038 22.405 ( 0.288 -1.615 -0.615) 1.752 22.500 ( 0.779 0.165 0.747) 1.092 22.515 ( 0.042 -0.068 -0.756) 0.760 22.533 ( -0.668 -1.161 -0.703) 1.513 22.555 ( -1.659 -1.081 -1.821) 2.691 24.353 ( 5.758 3.136 2.409) 6.985 24.393 ( 4.113 1.563 -0.927) 4.496 24.455 ( -1.446 0.598 1.703) 2.313 24.469 ( -6.257 2.175 1.030) 6.704 24.522 ( 4.016 -3.641 -0.664) 5.461 24.539 ( 0.382 -2.898 -1.535) 3.302 24.586 ( -3.632 -3.768 0.364) 5.247 24.609 ( -4.963 -3.400 -1.465) 6.192 26.299 ( 12.263 6.506 2.627) 14.128 26.360 ( 12.246 7.639 -2.793) 14.701 26.507 ( -2.632 3.991 3.894) 6.167 26.539 ( 4.209 0.224 3.735) 5.632 26.605 ( -8.239 4.622 -3.131) 9.953 26.646 ( 8.576 -3.623 -3.836) 10.069 26.763 ( -10.587 -3.942 4.302) 12.088 26.854 ( -10.073 -3.910 -3.841) 11.468 27.328 ( 5.726 1.731 0.934) 6.055 27.374 ( 6.258 -0.634 -2.405) 6.734 27.401 ( -0.796 -0.927 0.900) 1.517 27.462 ( -1.641 -2.476 -4.002) 4.984 27.809 ( 5.504 1.163 3.813) 6.796 27.862 ( 1.121 2.051 0.302) 2.357 27.934 ( -1.259 0.145 -0.803) 1.501 27.960 ( -4.271 0.963 -4.241) 6.096 28.108 ( 2.368 1.598 7.111) 7.664 28.153 ( -1.517 0.489 7.385) 7.555 28.192 ( 3.492 -0.083 0.891) 3.605 28.251 ( -2.121 -1.649 2.312) 3.544 28.367 ( 0.121 2.536 1.715) 3.064 28.411 ( -2.824 -0.553 -0.268) 2.890 28.497 ( -0.717 -3.611 -6.959) 7.873 28.510 ( -2.067 -3.569 -7.066) 8.182 29.010 ( 4.891 5.345 2.872) 7.794 29.121 ( -1.169 3.670 -3.324) 5.088 29.138 ( -4.861 4.669 -2.748) 7.279 29.159 ( -2.452 0.719 -1.489) 2.958 29.419 ( 4.461 -2.745 2.629) 5.861 29.467 ( -1.509 -5.862 5.137) 7.939 29.517 ( 0.753 -4.918 -4.581) 6.763 29.581 ( -5.151 -5.264 -3.677) 8.232 30.345 ( 5.735 16.138 1.286) 17.175 30.362 ( 2.250 13.138 0.186) 13.331 30.436 ( -4.733 13.993 2.086) 14.918 30.475 ( -7.270 16.070 -1.596) 17.710 30.815 ( 5.521 -8.033 3.093) 10.226 30.889 ( 7.175 -8.932 -2.922) 11.824 30.928 ( -5.470 -8.426 4.969) 11.207 31.050 ( -8.253 -10.216 -5.215) 14.130 33.106 ( 8.147 3.288 3.921) 9.621 33.186 ( 5.827 2.335 -2.764) 6.859 33.265 ( -7.378 0.095 1.783) 7.591 33.273 ( -1.105 -3.204 1.032) 3.543 33.472 ( -0.822 -0.152 1.826) 2.008 33.502 ( 3.453 -2.911 -1.525) 4.767 33.537 ( -6.180 -2.336 3.244) 7.360 33.635 ( -8.152 -5.854 -4.845) 11.144 36.747 ( 7.815 7.922 0.164) 11.129 36.753 ( 7.467 6.410 -0.338) 9.847 36.884 ( -5.970 2.802 -0.283) 6.601 36.887 ( -6.185 2.432 -0.514) 6.666 37.489 ( 3.074 -7.425 0.094) 8.037 37.497 ( 0.966 -7.094 2.323) 7.527 37.515 ( 2.986 -8.190 -2.016) 8.948 37.578 ( -2.680 -8.076 -4.731) 9.736 38.455 ( 5.506 3.765 8.064) 10.465 38.553 ( -4.168 2.401 6.226) 7.867 38.567 ( 1.559 1.634 0.922) 2.439 38.584 ( 0.328 -0.576 2.821) 2.898 39.000 ( 3.099 1.561 -2.966) 4.565 39.019 ( 0.607 1.436 -3.180) 3.542 39.048 ( 2.523 -1.581 -3.863) 4.878 39.154 ( -5.870 -3.477 -8.715) 11.068 39.892 ( 5.235 3.987 4.278) 7.849 39.949 ( 3.236 2.504 0.336) 4.106 39.958 ( -0.574 2.431 2.336) 3.420 39.991 ( -0.065 1.225 -0.846) 1.490 40.518 ( 2.812 -0.560 2.647) 3.902 40.592 ( -1.404 -3.064 -1.266) 3.601 40.612 ( -5.533 -2.096 -1.662) 6.146 40.621 ( -3.864 -2.752 -2.839) 5.528 41.967 ( 2.112 0.638 3.786) 4.383 41.983 ( 0.734 1.694 1.531) 2.398 42.004 ( 1.886 -0.609 1.925) 2.763 42.060 ( -3.414 -1.209 -1.534) 3.934 42.380 ( 1.177 2.090 1.690) 2.934 42.419 ( -2.194 -0.399 2.561) 3.396 42.455 ( 1.493 -1.917 -3.819) 4.527 42.514 ( -3.950 -3.713 -4.159) 6.833 83.523 ( 2.937 2.377 6.797) 7.777 83.573 ( -1.991 2.357 6.067) 6.806 83.640 ( 2.712 -2.854 1.168) 4.107 83.658 ( 0.801 -1.245 -3.808) 4.086 84.047 ( 2.928 4.884 2.369) 6.168 84.146 ( 4.618 -1.969 -2.273) 5.511 84.162 ( -6.438 -2.903 6.201) 9.399 84.327 ( -10.886 -7.653 -4.579) 14.073 88.218 ( 10.210 5.494 3.053) 11.990 88.261 ( 10.681 5.370 -0.355) 11.961 88.359 ( -3.869 0.589 5.331) 6.614 88.435 ( -6.418 -1.858 -1.030) 6.760 88.961 ( 2.973 -0.727 -2.407) 3.894 88.977 ( 5.740 -2.755 -3.679) 7.353 89.019 ( -2.729 -4.597 0.720) 5.395 89.081 ( -4.870 -4.404 -4.333) 7.867 93.018 ( 3.806 1.052 1.563) 4.247 93.047 ( 1.654 -0.033 1.362) 2.143 93.055 ( 0.683 0.876 -1.675) 2.010 93.075 ( -1.777 0.136 -1.148) 2.120 94.294 ( 6.385 -0.524 6.789) 9.335 94.410 ( -3.949 -7.930 8.679) 12.402 94.490 ( 7.813 -12.415 -8.285) 16.846 94.659 ( -8.417 -17.813 -10.970) 22.550 97.358 ( 5.688 14.348 3.126) 15.748 97.362 ( 5.631 14.953 3.075) 16.271 97.543 ( -4.687 14.353 -3.990) 15.617 97.561 ( -6.086 14.965 -5.250) 16.987 97.889 ( 6.689 -9.365 1.590) 11.618 97.908 ( 5.585 -9.040 0.116) 10.627 98.048 ( -6.539 -8.701 -1.121) 10.942 98.066 ( -7.465 -8.099 -2.466) 11.287 ======================= Grid point 119 (45/48) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 0.000 -14.113 16.598) 21.787 2.683 ( 0.000 14.113 16.598) 21.787 2.908 ( 0.000 -8.554 0.920) 8.604 2.908 ( 0.000 8.554 0.920) 8.604 3.450 ( 0.000 -6.326 11.362) 13.004 3.450 ( 0.000 6.326 11.362) 13.005 3.485 ( 0.000 -16.411 -0.605) 16.422 3.485 ( 0.000 16.411 -0.605) 16.422 3.740 ( 0.000 -1.763 -5.564) 5.837 3.740 ( 0.000 1.763 -5.564) 5.837 3.936 ( 0.000 -8.302 -14.962) 17.111 3.936 ( 0.000 8.302 -14.962) 17.111 4.171 ( 0.000 -15.593 15.697) 22.125 4.171 ( 0.000 15.593 15.697) 22.125 4.440 ( 0.000 -1.584 -7.494) 7.660 4.440 ( 0.000 1.584 -7.494) 7.660 4.647 ( 0.000 -9.713 6.384) 11.623 4.647 ( 0.000 9.713 6.384) 11.623 4.961 ( 0.000 -12.114 -18.390) 22.021 4.961 ( 0.000 12.114 -18.390) 22.021 5.332 ( 0.000 -1.037 4.870) 4.979 5.332 ( 0.000 1.037 4.870) 4.979 5.348 ( 0.000 -0.114 2.940) 2.942 5.348 ( 0.000 0.114 2.940) 2.942 5.730 ( 0.000 -2.435 1.830) 3.046 5.730 ( 0.000 2.435 1.830) 3.046 5.798 ( 0.000 -5.185 -6.242) 8.114 5.798 ( 0.000 5.185 -6.242) 8.114 6.290 ( 0.000 -3.895 10.725) 11.410 6.290 ( 0.000 3.895 10.725) 11.410 6.551 ( 0.000 -3.197 -11.926) 12.347 6.551 ( 0.000 3.197 -11.926) 12.347 6.925 ( 0.000 -9.644 4.241) 10.535 6.925 ( 0.000 9.644 4.241) 10.535 6.981 ( 0.000 -0.990 0.062) 0.992 6.981 ( 0.000 0.990 0.062) 0.992 7.315 ( 0.000 -9.615 -3.919) 10.383 7.315 ( 0.000 9.615 -3.919) 10.383 7.436 ( 0.000 -6.555 -13.784) 15.263 7.436 ( 0.000 6.555 -13.784) 15.263 8.128 ( 0.000 -2.833 8.369) 8.836 8.128 ( 0.000 2.833 8.369) 8.836 8.320 ( 0.000 -4.423 -8.534) 9.612 8.320 ( 0.000 4.423 -8.534) 9.612 9.061 ( 0.000 -2.296 14.417) 14.599 9.061 ( 0.000 2.296 14.417) 14.599 9.290 ( 0.000 -1.224 -5.320) 5.459 9.290 ( 0.000 1.224 -5.320) 5.459 10.104 ( 0.000 -5.542 10.231) 11.635 10.104 ( 0.000 5.542 10.231) 11.635 10.301 ( 0.000 -7.792 -6.393) 10.079 10.301 ( 0.000 7.792 -6.393) 10.079 10.692 ( 0.000 -3.701 7.213) 8.107 10.692 ( 0.000 3.701 7.213) 8.107 10.809 ( 0.000 -6.758 0.084) 6.759 10.809 ( 0.000 6.758 0.084) 6.759 11.295 ( 0.000 -0.658 2.602) 2.684 11.295 ( 0.000 0.658 2.602) 2.684 11.409 ( 0.000 -3.872 -6.480) 7.548 11.409 ( 0.000 3.872 -6.480) 7.548 11.582 ( 0.000 -2.584 5.007) 5.635 11.582 ( 0.000 2.584 5.007) 5.635 11.707 ( 0.000 -0.082 -4.933) 4.934 11.707 ( 0.000 0.082 -4.933) 4.934 12.095 ( 0.000 -3.545 7.420) 8.223 12.095 ( 0.000 3.545 7.420) 8.223 12.236 ( 0.000 -5.652 -4.371) 7.145 12.236 ( 0.000 5.652 -4.371) 7.145 12.577 ( 0.000 -1.525 1.272) 1.986 12.577 ( 0.000 1.526 1.272) 1.986 12.646 ( 0.000 -3.295 -5.352) 6.284 12.646 ( 0.000 3.295 -5.352) 6.284 13.487 ( 0.000 -2.438 8.496) 8.839 13.487 ( 0.000 2.438 8.496) 8.839 13.711 ( 0.000 -2.417 -12.012) 12.253 13.711 ( 0.000 2.417 -12.012) 12.253 14.100 ( 0.000 -4.946 9.599) 10.798 14.100 ( 0.000 4.946 9.599) 10.798 14.223 ( 0.000 -2.360 -1.625) 2.866 14.223 ( 0.000 2.360 -1.625) 2.866 14.835 ( 0.000 -8.462 3.852) 9.297 14.835 ( 0.000 8.462 3.852) 9.297 14.996 ( 0.000 -0.287 -8.491) 8.496 14.996 ( 0.000 0.287 -8.491) 8.496 15.189 ( 0.000 -2.229 5.379) 5.823 15.189 ( 0.000 2.229 5.379) 5.823 15.310 ( 0.000 -0.453 -4.200) 4.224 15.310 ( 0.000 0.453 -4.200) 4.224 15.647 ( 0.000 -2.102 0.687) 2.212 15.647 ( 0.000 2.102 0.687) 2.212 15.694 ( 0.000 -2.785 -3.345) 4.352 15.694 ( 0.000 2.785 -3.345) 4.352 15.955 ( 0.000 -2.896 1.104) 3.099 15.955 ( 0.000 2.896 1.104) 3.099 15.983 ( 0.000 -2.334 -1.119) 2.588 15.983 ( 0.000 2.334 -1.119) 2.588 16.821 ( 0.000 -5.232 -0.027) 5.232 16.821 ( 0.000 5.232 -0.027) 5.232 16.864 ( 0.000 -5.622 -3.598) 6.675 16.864 ( 0.000 5.622 -3.598) 6.675 17.422 ( 0.000 -3.555 7.743) 8.520 17.422 ( 0.000 3.555 7.743) 8.520 17.562 ( 0.000 -3.133 -4.013) 5.091 17.562 ( 0.000 3.133 -4.013) 5.091 17.680 ( 0.000 -3.212 5.411) 6.292 17.680 ( 0.000 3.212 5.411) 6.292 17.809 ( 0.000 -3.072 -5.845) 6.604 17.809 ( 0.000 3.072 -5.845) 6.604 18.024 ( 0.000 -2.712 7.740) 8.202 18.024 ( 0.000 2.712 7.740) 8.202 18.176 ( 0.000 -2.801 -5.335) 6.025 18.176 ( 0.000 2.801 -5.335) 6.025 22.217 ( 0.000 -3.199 1.413) 3.497 22.217 ( 0.000 3.199 1.413) 3.497 22.259 ( 0.000 -3.600 -2.429) 4.343 22.259 ( 0.000 3.600 -2.429) 4.343 22.535 ( 0.000 -1.679 2.185) 2.756 22.535 ( 0.000 1.679 2.185) 2.756 22.575 ( 0.000 -1.626 -1.384) 2.136 22.575 ( 0.000 1.626 -1.384) 2.136 24.279 ( 0.000 -5.958 0.310) 5.966 24.279 ( 0.000 5.958 0.310) 5.966 24.297 ( 0.000 -4.942 -1.490) 5.162 24.297 ( 0.000 4.942 -1.490) 5.162 24.692 ( 0.000 -1.902 4.866) 5.225 24.692 ( 0.000 1.902 4.866) 5.225 24.785 ( 0.000 -1.159 -3.583) 3.766 24.785 ( 0.000 1.159 -3.583) 3.766 25.929 ( 0.000 -6.559 5.411) 8.503 25.929 ( 0.000 6.559 5.411) 8.503 26.059 ( 0.000 -7.519 -6.208) 9.750 26.059 ( 0.000 7.519 -6.208) 9.750 26.897 ( 0.000 -2.739 3.315) 4.300 26.897 ( 0.000 2.739 3.315) 4.300 26.962 ( 0.000 -0.872 -2.262) 2.425 26.962 ( 0.000 0.872 -2.262) 2.425 27.232 ( 0.000 -8.858 3.020) 9.358 27.232 ( 0.000 8.858 3.020) 9.358 27.320 ( 0.000 -5.224 -4.638) 6.986 27.320 ( 0.000 5.224 -4.638) 6.986 27.749 ( 0.000 -6.777 3.526) 7.639 27.749 ( 0.000 6.777 3.526) 7.639 27.831 ( 0.000 -8.311 -3.497) 9.017 27.831 ( 0.000 8.311 -3.497) 9.017 28.163 ( 0.000 -1.915 -0.003) 1.915 28.163 ( 0.000 1.915 -0.003) 1.915 28.178 ( 0.000 -0.968 0.911) 1.329 28.178 ( 0.000 0.968 0.911) 1.329 28.677 ( 0.000 -3.397 0.175) 3.402 28.677 ( 0.000 3.397 0.175) 3.402 28.708 ( 0.000 -2.725 -1.537) 3.129 28.708 ( 0.000 2.725 -1.537) 3.129 28.972 ( 0.000 -3.337 8.723) 9.340 28.972 ( 0.000 3.337 8.723) 9.340 29.097 ( 0.000 -2.953 -2.865) 4.114 29.097 ( 0.000 2.953 -2.865) 4.114 29.494 ( 0.000 -3.857 3.700) 5.345 29.494 ( 0.000 3.857 3.700) 5.345 29.669 ( 0.000 -7.647 -10.235) 12.776 29.669 ( 0.000 7.647 -10.235) 12.776 30.409 ( 0.000 -7.606 6.749) 10.169 30.409 ( 0.000 7.606 6.749) 10.169 30.572 ( 0.000 -8.401 -7.670) 11.376 30.572 ( 0.000 8.401 -7.670) 11.376 30.936 ( 0.000 -7.066 6.675) 9.720 30.936 ( 0.000 7.066 6.675) 9.720 31.072 ( 0.000 -8.776 -5.529) 10.372 31.072 ( 0.000 8.776 -5.529) 10.372 32.971 ( 0.000 -7.309 7.446) 10.434 32.971 ( 0.000 7.309 7.446) 10.434 33.132 ( 0.000 -7.253 -6.887) 10.002 33.132 ( 0.000 7.253 -6.887) 10.002 33.805 ( 0.000 -0.565 4.314) 4.351 33.805 ( 0.000 0.565 4.314) 4.351 33.882 ( 0.000 -0.783 -2.522) 2.641 33.882 ( 0.000 0.783 -2.522) 2.641 36.663 ( 0.000 -11.412 1.569) 11.519 36.663 ( 0.000 11.412 1.569) 11.519 36.693 ( 0.000 -12.906 -0.980) 12.943 36.693 ( 0.000 12.906 -0.980) 12.943 37.324 ( 0.000 -3.092 8.431) 8.980 37.324 ( 0.000 3.092 8.431) 8.980 37.533 ( 0.000 -4.164 -10.330) 11.138 37.533 ( 0.000 4.164 -10.330) 11.138 38.370 ( 0.000 -6.846 7.165) 9.910 38.370 ( 0.000 6.846 7.165) 9.910 38.554 ( 0.000 -5.448 -8.682) 10.250 38.554 ( 0.000 5.448 -8.682) 10.250 38.966 ( 0.000 -4.850 7.873) 9.247 38.966 ( 0.000 4.850 7.873) 9.247 39.182 ( 0.000 -6.146 -11.242) 12.812 39.182 ( 0.000 6.146 -11.242) 12.812 39.791 ( 0.000 -4.972 1.685) 5.250 39.791 ( 0.000 4.972 1.685) 5.250 39.818 ( 0.000 -4.326 -0.707) 4.384 39.818 ( 0.000 4.326 -0.707) 4.384 40.676 ( 0.000 -5.317 7.797) 9.437 40.676 ( 0.000 5.317 7.797) 9.437 40.799 ( 0.000 -1.649 -2.347) 2.869 40.799 ( 0.000 1.649 -2.347) 2.869 41.886 ( 0.000 -2.039 4.206) 4.674 41.886 ( 0.000 2.039 4.206) 4.674 42.031 ( 0.000 -6.014 -7.466) 9.587 42.031 ( 0.000 6.014 -7.466) 9.587 42.497 ( 0.000 -5.398 2.757) 6.061 42.497 ( 0.000 5.398 2.757) 6.061 42.543 ( 0.000 -7.473 -0.981) 7.537 42.543 ( 0.000 7.473 -0.981) 7.537 83.460 ( 0.000 -1.411 5.386) 5.568 83.460 ( 0.000 1.411 5.386) 5.568 83.582 ( 0.000 -0.495 -4.938) 4.963 83.582 ( 0.000 0.495 -4.938) 4.963 84.244 ( 0.000 -17.183 11.190) 20.506 84.244 ( 0.000 17.183 11.190) 20.506 84.400 ( 0.000 -18.419 -2.136) 18.543 84.400 ( 0.000 18.419 -2.136) 18.543 87.856 ( 0.000 -1.070 12.913) 12.957 87.856 ( 0.000 1.070 12.913) 12.957 88.174 ( 0.000 -6.768 -13.998) 15.549 88.174 ( 0.000 6.768 -13.998) 15.549 88.868 ( 0.000 -4.697 8.491) 9.704 88.868 ( 0.000 4.697 8.491) 9.704 89.059 ( 0.000 -6.570 -7.669) 10.098 89.059 ( 0.000 6.570 -7.669) 10.098 92.873 ( 0.000 -1.188 4.407) 4.564 92.873 ( 0.000 1.188 4.407) 4.564 92.991 ( 0.000 -0.841 -6.308) 6.364 92.991 ( 0.000 0.841 -6.308) 6.364 94.281 ( 0.000 -19.374 9.577) 21.612 94.281 ( 0.000 19.374 9.577) 21.612 94.462 ( 0.000 -22.103 -6.659) 23.084 94.462 ( 0.000 22.103 -6.659) 23.084 97.373 ( 0.000 -11.721 1.055) 11.768 97.373 ( 0.000 11.721 1.055) 11.768 97.383 ( 0.000 -11.964 0.195) 11.965 97.383 ( 0.000 11.964 0.195) 11.965 98.096 ( 0.000 -12.699 3.159) 13.086 98.096 ( 0.000 12.699 3.159) 13.086 98.218 ( 0.000 -9.690 -7.795) 12.436 98.218 ( 0.000 9.690 -7.795) 12.436 ======================= Grid point 121 (46/48) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 6.746 -16.982 16.330) 24.506 2.732 ( 6.746 16.982 16.330) 24.506 3.027 ( 9.820 -7.299 -6.423) 13.819 3.027 ( 9.820 7.299 -6.423) 13.819 3.370 ( -1.164 -11.706 11.893) 16.728 3.370 ( -1.164 11.706 11.893) 16.728 3.596 ( 2.481 -7.417 -0.533) 7.839 3.596 ( 2.481 7.417 -0.533) 7.839 3.686 ( -1.603 -13.499 -2.118) 13.758 3.686 ( -1.603 13.500 -2.118) 13.758 3.961 ( -1.633 -11.435 -16.838) 20.419 3.961 ( -1.633 11.435 -16.838) 20.419 4.252 ( 9.730 -4.785 10.183) 14.875 4.252 ( 9.730 4.785 10.183) 14.875 4.442 ( 3.553 -5.907 -6.500) 9.474 4.442 ( 3.553 5.907 -6.500) 9.474 4.747 ( 9.621 -10.281 10.642) 17.650 4.747 ( 9.621 10.281 10.642) 17.650 5.049 ( 6.308 -9.972 -11.780) 16.674 5.049 ( 6.308 9.972 -11.780) 16.674 5.304 ( -3.969 -5.812 3.875) 8.034 5.304 ( -3.969 5.812 3.875) 8.034 5.354 ( 0.807 -1.173 1.157) 1.835 5.354 ( 0.807 1.173 1.157) 1.835 5.718 ( -1.586 -1.723 2.445) 3.386 5.718 ( -1.586 1.723 2.445) 3.386 5.789 ( -1.291 -4.111 -4.338) 6.114 5.789 ( -1.291 4.111 -4.338) 6.114 6.305 ( 1.335 -5.882 7.198) 9.392 6.305 ( 1.335 5.882 7.198) 9.392 6.491 ( -4.631 -3.139 -8.686) 10.331 6.491 ( -4.631 3.139 -8.686) 10.332 6.844 ( -5.908 -4.892 3.189) 8.307 6.844 ( -5.908 4.892 3.189) 8.307 6.988 ( 0.773 -3.754 -7.957) 8.832 6.988 ( 0.773 3.754 -7.957) 8.832 7.336 ( 4.330 -2.481 4.566) 6.764 7.336 ( 4.330 2.481 4.566) 6.764 7.543 ( 9.140 -3.717 -11.890) 15.451 7.543 ( 9.140 3.717 -11.890) 15.451 8.147 ( 1.346 -3.174 8.522) 9.193 8.147 ( 1.346 3.174 8.522) 9.193 8.362 ( 2.799 -4.335 -10.382) 11.594 8.362 ( 2.799 4.335 -10.382) 11.594 8.954 ( -11.538 -1.150 15.016) 18.972 8.954 ( -11.538 1.150 15.016) 18.972 9.178 ( -10.870 -1.524 -4.405) 11.827 9.178 ( -10.870 1.524 -4.405) 11.827 10.074 ( -3.238 -6.014 9.129) 11.402 10.074 ( -3.238 6.014 9.129) 11.402 10.247 ( -4.659 -7.408 -5.052) 10.105 10.247 ( -4.659 7.408 -5.052) 10.105 10.612 ( -7.811 -1.923 5.160) 9.557 10.612 ( -7.811 1.923 5.160) 9.557 10.736 ( -6.926 -6.391 -4.094) 10.275 10.736 ( -6.926 6.391 -4.094) 10.275 11.268 ( -2.628 -4.000 5.005) 6.925 11.268 ( -2.628 4.000 5.005) 6.925 11.421 ( -0.410 -6.102 -8.298) 10.309 11.421 ( -0.410 6.102 -8.298) 10.309 11.563 ( -0.774 -1.721 3.489) 3.967 11.563 ( -0.774 1.721 3.489) 3.967 11.657 ( -3.810 -1.694 -4.833) 6.383 11.657 ( -3.810 1.694 -4.833) 6.383 12.177 ( 7.044 -3.467 5.921) 9.833 12.177 ( 7.044 3.467 5.921) 9.833 12.266 ( 2.718 -3.540 -2.075) 4.922 12.266 ( 2.718 3.540 -2.075) 4.922 12.576 ( -0.081 -3.625 1.597) 3.962 12.576 ( -0.081 3.625 1.597) 3.962 12.649 ( 0.137 -4.453 -4.940) 6.653 12.649 ( 0.137 4.453 -4.940) 6.653 13.495 ( 1.095 -4.083 7.888) 8.950 13.495 ( 1.095 4.083 7.888) 8.950 13.674 ( -2.241 -1.358 -8.140) 8.551 13.674 ( -2.241 1.358 -8.140) 8.551 14.069 ( -3.896 -5.713 8.679) 11.097 14.069 ( -3.896 5.713 8.679) 11.097 14.199 ( -2.802 -1.271 -3.714) 4.824 14.199 ( -2.802 1.271 -3.714) 4.824 14.845 ( 1.318 -7.711 5.168) 9.376 14.845 ( 1.318 7.711 5.168) 9.376 15.015 ( 1.756 -5.473 -8.315) 10.108 15.015 ( 1.756 5.473 -8.315) 10.108 15.213 ( 2.075 -3.133 4.045) 5.521 15.213 ( 2.075 3.133 4.045) 5.521 15.309 ( -0.185 -2.450 -3.304) 4.118 15.309 ( -0.185 2.450 -3.304) 4.118 15.678 ( 2.455 -0.669 0.999) 2.734 15.678 ( 2.455 0.669 0.999) 2.734 15.723 ( 3.629 -0.269 -2.880) 4.641 15.723 ( 3.629 0.269 -2.880) 4.641 15.967 ( 1.583 -2.512 2.775) 4.065 15.967 ( 1.583 2.512 2.775) 4.065 16.030 ( 3.635 -1.971 -2.608) 4.888 16.030 ( 3.635 1.971 -2.608) 4.888 16.858 ( 3.683 -2.833 -0.065) 4.647 16.858 ( 3.683 2.833 -0.065) 4.647 16.894 ( 2.922 -3.751 -2.992) 5.618 16.894 ( 2.922 3.751 -2.992) 5.618 17.420 ( -0.211 -4.031 6.903) 7.996 17.420 ( -0.211 4.031 6.903) 7.996 17.542 ( -2.031 -3.744 -3.199) 5.326 17.542 ( -2.031 3.744 -3.199) 5.326 17.667 ( -0.959 -3.062 4.829) 5.798 17.667 ( -0.959 3.062 4.829) 5.798 17.792 ( -1.204 -2.194 -5.716) 6.240 17.792 ( -1.204 2.194 -5.716) 6.240 18.014 ( -1.178 -2.377 7.040) 7.523 18.014 ( -1.178 2.377 7.040) 7.523 18.159 ( -1.742 -2.336 -5.340) 6.083 18.159 ( -1.742 2.336 -5.340) 6.083 22.247 ( 2.851 -2.765 1.133) 4.130 22.247 ( 2.851 2.765 1.133) 4.130 22.280 ( 2.144 -3.360 -1.921) 4.424 22.280 ( 2.144 3.360 -1.921) 4.424 22.531 ( -0.456 -1.629 2.112) 2.706 22.531 ( -0.456 1.629 2.112) 2.706 22.572 ( -0.415 -1.473 -1.493) 2.138 22.572 ( -0.415 1.473 -1.493) 2.138 24.296 ( 1.787 -5.025 0.637) 5.371 24.296 ( 1.787 5.025 0.637) 5.371 24.321 ( 2.325 -3.737 -1.697) 4.717 24.321 ( 2.325 3.737 -1.697) 4.717 24.666 ( -2.614 -1.963 4.077) 5.225 24.666 ( -2.614 1.963 4.077) 5.225 24.743 ( -4.167 -1.906 -2.879) 5.412 24.743 ( -4.167 1.906 -2.879) 5.412 26.003 ( 7.522 -6.324 4.947) 11.002 26.003 ( 7.522 6.324 4.947) 11.002 26.121 ( 6.407 -7.400 -5.559) 11.257 26.121 ( 6.407 7.400 -5.559) 11.257 26.892 ( -1.304 -3.438 4.337) 5.686 26.892 ( -1.304 3.438 4.337) 5.686 26.979 ( 0.725 -0.768 -3.299) 3.464 26.979 ( 0.725 0.768 -3.299) 3.464 27.244 ( 1.525 -7.293 1.098) 7.532 27.244 ( 1.525 7.293 1.098) 7.532 27.291 ( -1.608 -5.950 -2.911) 6.817 27.291 ( -1.608 5.950 -2.911) 6.817 27.772 ( 2.113 -7.856 3.851) 9.001 27.772 ( 2.113 7.856 3.851) 9.001 27.863 ( 2.986 -8.581 -3.929) 9.899 27.863 ( 2.986 8.581 -3.929) 9.899 28.152 ( -0.550 -1.387 2.882) 3.246 28.152 ( -0.550 1.387 2.882) 3.246 28.201 ( 1.712 -1.484 -0.920) 2.445 28.201 ( 1.712 1.484 -0.920) 2.445 28.595 ( -6.857 -2.182 0.698) 7.230 28.595 ( -6.857 2.182 0.698) 7.230 28.643 ( -5.955 -1.772 -2.545) 6.714 28.643 ( -5.955 1.772 -2.545) 6.714 29.017 ( 3.140 -4.584 7.429) 9.277 29.017 ( 3.140 4.584 7.429) 9.277 29.145 ( 4.351 -3.791 -3.337) 6.666 29.145 ( 4.351 3.791 -3.337) 6.666 29.462 ( -3.280 -4.238 4.611) 7.070 29.462 ( -3.280 4.238 4.611) 7.070 29.647 ( -2.303 -6.504 -9.695) 11.899 29.647 ( -2.303 6.504 -9.695) 11.899 30.431 ( 2.382 -8.154 5.858) 10.318 30.431 ( 2.382 8.154 5.858) 10.318 30.571 ( 0.185 -8.972 -6.444) 11.048 30.571 ( 0.185 8.972 -6.444) 11.048 30.902 ( -3.369 -9.394 6.219) 11.759 30.902 ( -3.369 9.394 6.219) 11.759 31.032 ( -4.100 -10.994 -5.375) 12.906 31.032 ( -4.100 10.994 -5.375) 12.906 33.003 ( 3.263 -7.276 6.616) 10.362 33.003 ( 3.263 7.276 6.616) 10.362 33.145 ( 1.387 -6.684 -5.981) 9.076 33.145 ( 1.387 6.684 -5.981) 9.076 33.740 ( -6.495 -1.434 4.551) 8.059 33.740 ( -6.495 1.434 4.551) 8.059 33.824 ( -5.757 -2.170 -2.999) 6.845 33.824 ( -5.757 2.170 -2.999) 6.845 36.714 ( 4.773 -11.569 0.983) 12.553 36.714 ( 4.773 11.569 0.983) 12.553 36.734 ( 3.954 -12.386 -0.649) 13.018 36.734 ( 3.954 12.386 -0.649) 13.018 37.334 ( 1.067 -3.420 7.557) 8.363 37.334 ( 1.067 3.420 7.557) 8.363 37.524 ( -0.945 -4.492 -9.537) 10.584 37.524 ( -0.945 4.492 -9.537) 10.584 38.392 ( 2.346 -6.293 7.633) 10.167 38.392 ( 2.346 6.293 7.633) 10.167 38.573 ( 1.765 -4.908 -7.412) 9.063 38.573 ( 1.765 4.908 -7.412) 9.063 38.962 ( -0.213 -5.285 7.000) 8.774 38.962 ( -0.213 5.285 7.000) 8.774 39.173 ( -1.099 -6.210 -11.147) 12.807 39.173 ( -1.099 6.210 -11.147) 12.807 39.811 ( 2.179 -4.090 2.450) 5.242 39.811 ( 2.179 4.090 2.450) 5.242 39.855 ( 3.598 -2.946 -1.540) 4.898 39.855 ( 3.598 2.946 -1.540) 4.898 40.646 ( -3.022 -4.943 7.418) 9.412 40.646 ( -3.022 4.943 7.418) 9.412 40.771 ( -2.960 -1.529 -2.967) 4.461 40.771 ( -2.960 1.529 -2.967) 4.461 41.898 ( 1.314 -1.869 4.503) 5.049 41.898 ( 1.314 1.869 4.503) 5.049 42.037 ( 0.502 -5.556 -6.619) 8.656 42.037 ( 0.502 5.556 -6.619) 8.656 42.478 ( -1.872 -4.339 2.574) 5.381 42.478 ( -1.872 4.339 2.574) 5.381 42.527 ( -1.647 -6.418 -1.371) 6.767 42.527 ( -1.647 6.418 -1.371) 6.767 83.473 ( 1.398 -1.692 5.462) 5.886 83.473 ( 1.398 1.692 5.462) 5.886 83.591 ( 0.996 -0.576 -4.420) 4.567 83.591 ( 0.996 0.576 -4.420) 4.567 84.217 ( -2.723 -14.958 10.243) 18.332 84.217 ( -2.723 14.958 10.243) 18.332 84.367 ( -3.370 -16.323 -2.391) 16.838 84.367 ( -3.370 16.323 -2.391) 16.838 87.948 ( 8.991 -7.086 10.367) 15.444 87.948 ( 8.991 7.086 10.367) 15.444 88.206 ( 3.395 -9.544 -11.184) 15.089 88.206 ( 3.395 9.544 -11.184) 15.089 88.892 ( 2.115 -5.433 6.870) 9.010 88.892 ( 2.115 5.433 6.870) 9.010 89.058 ( -0.240 -6.412 -7.054) 9.536 89.058 ( -0.240 6.412 -7.054) 9.536 92.900 ( 2.790 -1.370 4.234) 5.252 92.900 ( 2.790 1.370 4.234) 5.252 93.012 ( 2.006 -1.263 -5.820) 6.284 93.012 ( 2.006 1.263 -5.820) 6.284 94.289 ( 0.842 -16.264 8.276) 18.268 94.289 ( 0.842 16.264 8.276) 18.268 94.451 ( -1.141 -20.397 -6.172) 21.340 94.451 ( -1.141 20.397 -6.172) 21.340 97.409 ( 3.766 -11.933 1.054) 12.558 97.409 ( 3.766 11.933 1.054) 12.558 97.418 ( 3.594 -12.046 0.387) 12.576 97.418 ( 3.594 12.046 0.387) 12.576 98.060 ( -3.751 -12.617 2.518) 13.401 98.060 ( -3.751 12.617 2.518) 13.401 98.167 ( -5.240 -10.023 -7.072) 13.339 98.167 ( -5.240 10.023 -7.072) 13.339 ======================= Grid point 123 (47/48) ======================= q-point: ( 0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 12.128 -15.851 12.387) 23.490 2.928 ( 12.128 15.851 12.387) 23.490 3.152 ( 2.149 -10.528 -4.425) 11.621 3.152 ( 2.149 10.528 -4.425) 11.621 3.477 ( 9.639 -8.504 5.959) 14.168 3.477 ( 9.639 8.504 5.959) 14.168 3.586 ( 0.714 -9.357 -2.173) 9.633 3.586 ( 0.714 9.357 -2.173) 9.633 3.704 ( 3.183 -12.797 -2.137) 13.359 3.704 ( 3.183 12.797 -2.137) 13.359 3.910 ( 1.051 -14.011 -14.066) 19.881 3.910 ( 1.051 14.011 -14.066) 19.881 4.486 ( 11.160 -6.507 3.887) 13.491 4.486 ( 11.160 6.507 3.887) 13.491 4.558 ( 4.558 -10.029 -2.079) 11.210 4.558 ( 4.558 10.029 -2.079) 11.210 4.917 ( 5.772 -12.651 8.679) 16.392 4.917 ( 5.772 12.651 8.679) 16.392 5.093 ( -5.301 -7.171 0.565) 8.935 5.093 ( -5.301 7.171 0.565) 8.935 5.182 ( -4.929 -2.621 -2.270) 6.027 5.182 ( -4.929 2.621 -2.270) 6.027 5.337 ( -4.576 -6.392 -7.556) 10.903 5.337 ( -4.576 6.392 -7.556) 10.903 5.712 ( 4.194 -8.036 6.971) 11.435 5.712 ( 4.194 8.036 6.971) 11.435 5.798 ( 4.456 -5.603 0.642) 7.187 5.798 ( 4.456 5.603 0.642) 7.187 6.268 ( -6.362 -3.655 4.713) 8.720 6.268 ( -6.362 3.655 4.713) 8.720 6.415 ( -4.982 -4.821 -7.264) 10.041 6.415 ( -4.982 4.821 -7.264) 10.041 6.837 ( 7.920 -3.924 7.947) 11.886 6.837 ( 7.920 3.924 7.947) 11.886 7.077 ( 10.462 -1.333 -11.590) 15.670 7.077 ( 10.462 1.333 -11.590) 15.670 7.482 ( 10.330 -1.649 12.380) 16.208 7.482 ( 10.330 1.649 12.380) 16.208 7.727 ( 8.049 -4.130 -6.946) 11.405 7.727 ( 8.049 4.130 -6.946) 11.405 8.149 ( -0.752 -2.041 4.020) 4.571 8.149 ( -0.752 2.041 4.020) 4.571 8.336 ( -7.693 -2.695 -10.069) 12.955 8.336 ( -7.693 2.695 -10.069) 12.955 8.651 ( -18.457 -2.893 15.753) 24.438 8.651 ( -18.457 2.893 15.753) 24.438 8.928 ( -15.044 -2.717 -7.571) 17.060 8.928 ( -15.044 2.717 -7.571) 17.060 10.010 ( -1.978 -5.811 7.293) 9.533 10.010 ( -1.978 5.811 7.293) 9.533 10.168 ( -3.238 -3.676 -5.930) 7.692 10.168 ( -3.238 3.676 -5.930) 7.692 10.436 ( -9.766 -3.559 3.010) 10.822 10.436 ( -9.766 3.559 3.010) 10.822 10.577 ( -9.248 -3.702 -7.778) 12.638 10.577 ( -9.248 3.702 -7.778) 12.638 11.225 ( -1.298 -6.590 3.847) 7.740 11.225 ( -1.298 6.590 3.847) 7.740 11.371 ( -4.177 -7.957 -8.377) 12.286 11.371 ( -4.177 7.957 -8.377) 12.286 11.557 ( -0.344 -2.735 0.821) 2.876 11.557 ( -0.344 2.735 0.821) 2.876 11.603 ( -2.023 -3.406 -3.781) 5.477 11.603 ( -2.023 3.406 -3.781) 5.477 12.311 ( 6.182 -4.418 3.031) 8.181 12.311 ( 6.182 4.418 3.031) 8.181 12.327 ( 4.037 -4.622 1.033) 6.223 12.327 ( 4.037 4.622 1.033) 6.223 12.570 ( -0.745 -5.119 2.034) 5.559 12.570 ( -0.745 5.119 2.034) 5.559 12.641 ( -1.284 -5.022 -3.395) 6.197 12.641 ( -1.284 5.022 -3.395) 6.197 13.540 ( 3.925 -5.945 7.455) 10.312 13.540 ( 3.925 5.945 7.455) 10.312 13.680 ( 3.220 -3.810 -4.524) 6.735 13.680 ( 3.220 3.810 -4.524) 6.735 13.960 ( -7.092 -5.562 8.385) 12.310 13.960 ( -7.092 5.562 8.385) 12.310 14.107 ( -6.834 -2.300 -5.032) 8.793 14.107 ( -6.834 2.300 -5.032) 8.793 14.893 ( 3.572 -4.908 4.977) 7.850 14.893 ( 3.572 4.908 4.977) 7.850 15.037 ( 0.129 -5.316 -6.672) 8.532 15.037 ( 0.129 5.316 -6.672) 8.532 15.250 ( 1.600 -3.089 1.721) 3.881 15.250 ( 1.600 3.089 1.721) 3.881 15.302 ( -0.558 -2.772 -2.106) 3.526 15.302 ( -0.558 2.772 -2.106) 3.526 15.738 ( 4.039 -2.900 2.911) 5.762 15.738 ( 4.039 2.900 2.911) 5.762 15.807 ( 4.229 -1.561 -3.083) 5.461 15.807 ( 4.229 1.561 -3.083) 5.461 16.006 ( 2.253 -2.331 3.950) 5.110 16.006 ( 2.253 2.331 3.950) 5.110 16.085 ( 1.652 -1.411 -2.772) 3.521 16.085 ( 1.652 1.411 -2.772) 3.521 16.938 ( 4.004 -2.538 -0.079) 4.741 16.938 ( 4.004 2.538 -0.079) 4.741 16.960 ( 3.707 -2.108 -1.899) 4.669 16.960 ( 3.707 2.108 -1.899) 4.669 17.412 ( -0.637 -4.329 4.640) 6.378 17.412 ( -0.637 4.329 4.640) 6.378 17.493 ( -2.913 -4.366 -2.270) 5.719 17.493 ( -2.913 4.366 -2.270) 5.719 17.663 ( 1.063 -3.246 4.916) 5.986 17.663 ( 1.063 3.246 4.916) 5.986 17.787 ( 0.830 -0.829 -4.759) 4.902 17.787 ( 0.830 0.829 -4.759) 4.902 17.977 ( -2.443 -1.952 5.038) 5.929 17.977 ( -2.443 1.952 5.038) 5.929 18.110 ( -3.494 -1.490 -5.618) 6.782 18.110 ( -3.494 1.490 -5.618) 6.782 22.309 ( 3.367 -2.227 0.977) 4.153 22.309 ( 3.367 2.227 0.977) 4.153 22.334 ( 3.330 -2.388 -1.197) 4.269 22.334 ( 3.330 2.388 -1.197) 4.269 22.518 ( -0.871 -1.512 1.728) 2.455 22.518 ( -0.871 1.512 1.728) 2.455 22.558 ( -1.076 -1.289 -1.762) 2.434 22.558 ( -1.076 1.289 -1.762) 2.434 24.345 ( 3.425 -3.794 1.148) 5.238 24.345 ( 3.425 3.794 1.148) 5.238 24.377 ( 3.518 -2.220 -1.723) 4.503 24.377 ( 3.518 2.220 -1.723) 4.503 24.601 ( -4.081 -2.097 2.467) 5.209 24.601 ( -4.081 2.097 2.467) 5.209 24.646 ( -5.730 -2.830 -1.569) 6.581 24.646 ( -5.730 2.830 -1.569) 6.581 26.191 ( 11.889 -6.056 4.297) 14.018 26.191 ( 11.889 6.056 4.297) 14.018 26.289 ( 11.030 -7.267 -4.453) 13.939 26.289 ( 11.030 7.267 -4.453) 13.939 26.821 ( -6.537 -5.592 5.027) 9.963 26.821 ( -6.537 5.592 5.027) 9.963 26.927 ( -6.888 -3.775 -4.473) 9.039 26.927 ( -6.888 3.775 -4.473) 9.039 27.294 ( 4.273 -5.353 0.158) 6.851 27.294 ( 4.273 5.353 0.158) 6.851 27.323 ( 4.189 -6.886 -2.292) 8.380 27.323 ( 4.189 6.886 -2.292) 8.380 27.817 ( 2.508 -7.349 4.372) 8.911 27.817 ( 2.508 7.349 4.372) 8.911 27.919 ( 2.188 -6.977 -4.542) 8.608 27.919 ( 2.188 6.977 -4.542) 8.608 28.148 ( 0.322 -1.818 5.991) 6.269 28.148 ( 0.322 1.818 5.991) 6.269 28.224 ( 0.179 -3.001 -0.017) 3.007 28.224 ( 0.179 3.001 -0.017) 3.007 28.474 ( -5.021 -0.264 -0.601) 5.064 28.474 ( -5.021 0.264 -0.601) 5.064 28.527 ( -5.565 -2.143 -4.026) 7.195 28.527 ( -5.565 2.143 -4.026) 7.195 29.062 ( 1.881 -5.461 5.907) 8.261 29.062 ( 1.881 5.461 5.907) 8.261 29.219 ( 2.129 -5.162 -7.249) 9.150 29.219 ( 2.129 5.162 -7.249) 9.150 29.390 ( -3.134 -5.350 7.692) 9.880 29.390 ( -3.134 5.350 7.692) 9.880 29.582 ( -4.547 -4.588 -7.992) 10.276 29.582 ( -4.547 4.588 -7.992) 10.276 30.498 ( 4.682 -6.964 4.146) 9.360 30.498 ( 4.682 6.964 4.146) 9.360 30.593 ( 2.505 -7.930 -4.045) 9.248 30.593 ( 2.505 7.930 -4.045) 9.248 30.819 ( -5.292 -12.077 5.039) 14.115 30.819 ( -5.292 12.077 5.039) 14.115 30.928 ( -6.601 -14.353 -4.624) 16.461 30.928 ( -6.601 14.353 -4.624) 16.461 33.084 ( 5.140 -6.747 4.943) 9.817 33.084 ( 5.140 6.747 4.943) 9.817 33.189 ( 3.299 -5.518 -4.359) 7.768 33.189 ( 3.299 5.518 -4.359) 7.768 33.591 ( -8.370 -2.440 4.922) 10.012 33.591 ( -8.370 2.440 4.922) 10.012 33.688 ( -8.176 -3.421 -3.728) 9.615 33.688 ( -8.176 3.421 -3.728) 9.615 36.809 ( 4.565 -7.607 0.453) 8.883 36.809 ( 4.565 7.607 0.453) 8.883 36.820 ( 4.496 -7.957 -0.404) 9.148 36.820 ( 4.496 7.957 -0.404) 9.148 37.364 ( 2.029 -2.902 4.821) 5.981 37.364 ( 2.029 2.902 4.821) 5.981 37.498 ( -1.839 -4.360 -7.279) 8.682 37.498 ( -1.839 4.360 -7.279) 8.682 38.453 ( 3.888 -5.017 8.249) 10.408 38.453 ( 3.888 5.017 8.249) 10.408 38.602 ( 0.708 -2.850 -2.686) 3.980 38.602 ( 0.708 2.850 -2.686) 3.980 38.971 ( 1.399 -4.232 2.864) 5.298 38.971 ( 1.399 4.232 2.864) 5.298 39.139 ( -2.446 -5.649 -10.290) 11.991 39.139 ( -2.446 5.649 -10.290) 11.991 39.873 ( 4.266 -3.168 3.594) 6.415 39.873 ( 4.266 3.168 3.594) 6.415 39.937 ( 4.539 -1.199 -2.048) 5.122 39.937 ( 4.539 1.199 -2.048) 5.122 40.577 ( -3.767 -3.952 5.652) 7.859 40.577 ( -3.767 3.952 5.652) 7.859 40.692 ( -5.279 -1.084 -3.885) 6.643 40.692 ( -5.279 1.084 -3.885) 6.643 41.933 ( 2.381 -1.424 4.723) 5.477 41.933 ( 2.381 1.424 4.723) 5.477 42.043 ( -0.086 -4.141 -3.878) 5.674 42.043 ( -0.086 4.141 -3.878) 5.674 42.439 ( -1.874 -2.305 1.466) 3.313 42.439 ( -1.874 2.305 1.466) 3.313 42.486 ( -2.477 -4.695 -2.123) 5.717 42.486 ( -2.477 4.695 -2.123) 5.717 83.514 ( 2.975 -2.395 5.618) 6.793 83.514 ( 2.975 2.395 5.618) 6.793 83.615 ( 1.335 -0.893 -2.321) 2.823 83.615 ( 1.335 0.893 -2.321) 2.823 84.154 ( -3.366 -8.955 6.982) 11.844 84.154 ( -3.366 8.955 6.982) 11.844 84.281 ( -5.445 -11.981 -3.174) 13.537 84.281 ( -5.445 11.981 -3.174) 13.537 88.148 ( 11.055 -8.073 6.262) 15.053 88.148 ( 11.055 8.073 6.262) 15.053 88.293 ( 5.304 -9.781 -5.291) 12.320 88.293 ( 5.304 9.781 -5.291) 12.320 88.929 ( 1.494 -4.880 3.300) 6.077 88.929 ( 1.494 4.880 3.300) 6.077 89.042 ( -1.686 -5.612 -5.831) 8.266 89.042 ( -1.686 5.612 -5.831) 8.266 92.968 ( 4.060 -1.468 3.448) 5.525 92.968 ( 4.060 1.468 3.448) 5.525 93.053 ( 1.948 -1.497 -4.111) 4.789 93.053 ( 1.948 1.497 -4.111) 4.789 94.311 ( 1.412 -8.562 4.960) 9.995 94.311 ( 1.412 8.562 4.960) 9.995 94.421 ( -1.982 -15.820 -4.755) 16.638 94.421 ( -1.982 15.820 -4.755) 16.638 97.506 ( 6.301 -11.677 1.339) 13.335 97.506 ( 6.301 11.677 1.339) 13.335 97.513 ( 6.351 -11.522 0.878) 13.186 97.513 ( 6.351 11.522 0.878) 13.186 97.963 ( -6.256 -12.306 0.767) 13.826 97.963 ( -6.256 12.306 0.767) 13.826 98.034 ( -8.361 -10.587 -5.555) 14.590 98.034 ( -8.361 10.587 -5.555) 14.590 ======================= Grid point 125 (48/48) ======================= q-point: ( 0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 5.824 -7.658 5.539) 11.102 3.106 ( 5.824 7.658 5.539) 11.102 3.160 ( -0.734 -5.478 1.214) 5.659 3.160 ( -0.734 5.478 1.214) 5.659 3.529 ( 0.609 -8.955 0.447) 8.987 3.529 ( 0.609 8.955 0.447) 8.987 3.567 ( -3.182 -9.064 -2.722) 9.985 3.567 ( -3.182 9.064 -2.722) 9.985 3.976 ( 20.462 -11.797 0.806) 23.633 3.976 ( 20.462 11.797 0.806) 23.633 4.122 ( 19.281 -8.904 -9.719) 23.356 4.122 ( 19.281 8.904 -9.719) 23.356 4.399 ( -15.803 -7.318 3.801) 17.825 4.399 ( -15.803 7.318 3.801) 17.825 4.552 ( -12.684 -8.071 -7.478) 16.791 4.552 ( -12.684 8.071 -7.478) 16.791 4.949 ( -0.873 -4.594 2.836) 5.469 4.949 ( -0.873 4.594 2.836) 5.469 4.970 ( -0.805 -5.081 0.226) 5.150 4.970 ( -0.805 5.081 0.226) 5.150 5.157 ( 1.432 -5.992 -1.395) 6.316 5.157 ( 1.432 5.992 -1.395) 6.316 5.230 ( -5.292 -10.299 -6.483) 13.271 5.230 ( -5.292 10.299 -6.483) 13.271 5.881 ( 10.851 -5.418 7.679) 14.355 5.881 ( 10.851 5.418 7.679) 14.355 5.972 ( 10.930 -4.329 1.069) 11.805 5.972 ( 10.930 4.329 1.069) 11.805 6.114 ( -7.287 -4.884 5.859) 10.549 6.114 ( -7.287 4.884 5.859) 10.549 6.256 ( -11.600 -5.360 -5.735) 14.006 6.256 ( -11.600 5.360 -5.735) 14.006 7.137 ( 21.881 -2.691 13.550) 25.877 7.137 ( 21.881 2.691 13.550) 25.877 7.347 ( 13.192 -2.828 -1.636) 13.590 7.347 ( 13.192 2.828 -1.636) 13.590 7.609 ( -5.158 -3.475 10.894) 12.545 7.609 ( -5.158 3.475 10.894) 12.545 7.679 ( -9.485 -5.206 7.044) 12.910 7.679 ( -9.485 5.206 7.044) 12.910 8.138 ( -1.347 -2.544 0.509) 2.924 8.138 ( -1.347 2.544 0.509) 2.924 8.266 ( 5.799 -1.816 -4.904) 7.809 8.266 ( 5.799 1.816 -4.904) 7.809 8.351 ( -7.646 -0.359 -0.731) 7.689 8.351 ( -7.646 0.359 -0.731) 7.689 8.616 ( -17.914 -1.535 -13.842) 22.691 8.616 ( -17.914 1.535 -13.842) 22.691 10.030 ( 3.722 -3.484 4.397) 6.733 10.030 ( 3.722 3.484 4.397) 6.733 10.114 ( -3.808 -4.008 -2.515) 6.073 10.114 ( -3.808 4.008 -2.515) 6.073 10.317 ( -0.507 -2.904 -1.007) 3.115 10.317 ( -0.507 2.904 -1.007) 3.115 10.408 ( -8.183 -1.669 -7.155) 10.997 10.408 ( -8.183 1.669 -7.155) 10.997 11.229 ( 1.852 -2.834 -1.713) 3.795 11.229 ( 1.852 2.834 -1.713) 3.795 11.289 ( -4.131 -4.468 -6.633) 9.001 11.289 ( -4.131 4.468 -6.633) 9.001 11.554 ( 0.312 -0.525 -0.073) 0.615 11.554 ( 0.312 0.525 -0.073) 0.615 11.571 ( -1.386 -1.940 -1.848) 3.017 11.571 ( -1.386 1.940 -1.848) 3.017 12.390 ( 3.339 -2.385 2.425) 4.766 12.390 ( 3.339 2.385 2.425) 4.766 12.411 ( 2.329 -0.862 1.150) 2.736 12.411 ( 2.329 0.862 1.150) 2.736 12.556 ( 0.290 -4.359 1.478) 4.611 12.556 ( 0.290 4.359 1.478) 4.611 12.598 ( -3.037 -3.072 -1.440) 4.554 12.598 ( -3.037 3.073 -1.440) 4.554 13.644 ( 6.835 -5.475 7.228) 11.355 13.644 ( 6.835 5.475 7.228) 11.355 13.753 ( -0.269 -4.427 0.106) 4.437 13.753 ( -0.269 4.427 0.106) 4.437 13.847 ( -0.490 -2.441 4.205) 4.887 13.847 ( -0.490 2.441 4.205) 4.887 13.961 ( -8.110 -3.330 -3.783) 9.548 13.961 ( -8.110 3.330 -3.783) 9.548 14.963 ( 3.558 -1.760 1.744) 4.336 14.963 ( 3.558 1.760 1.744) 4.336 15.018 ( -2.085 -2.158 -2.598) 3.969 15.018 ( -2.085 2.158 -2.598) 3.969 15.272 ( 0.907 -1.532 -0.244) 1.797 15.272 ( 0.907 1.532 -0.244) 1.797 15.288 ( -0.839 -1.004 -1.381) 1.902 15.288 ( -0.839 1.004 -1.381) 1.902 15.817 ( 3.758 -2.870 2.833) 5.513 15.817 ( 3.758 2.870 2.833) 5.513 15.854 ( 0.297 -1.219 -0.205) 1.271 15.854 ( 0.297 1.219 -0.205) 1.271 16.047 ( 2.208 -1.123 1.728) 3.020 16.047 ( 2.208 1.123 1.728) 3.020 16.085 ( -1.416 -0.178 -1.250) 1.897 16.085 ( -1.416 0.178 -1.250) 1.897 16.996 ( 2.206 -2.037 0.088) 3.004 16.996 ( 2.206 2.037 0.088) 3.004 17.010 ( 1.040 -0.539 -1.136) 1.632 17.010 ( 1.040 0.539 -1.136) 1.632 17.407 ( 0.553 -2.194 1.478) 2.702 17.407 ( 0.553 2.194 1.478) 2.702 17.439 ( -2.635 -3.075 -1.282) 4.247 17.439 ( -2.635 3.075 -1.282) 4.247 17.715 ( 4.129 -2.842 5.624) 7.533 17.715 ( 4.129 2.842 5.624) 7.533 17.787 ( -2.292 -1.135 2.005) 3.250 17.787 ( -2.292 1.135 2.005) 3.250 17.961 ( 1.924 -0.509 -2.194) 2.963 17.961 ( 1.924 0.509 -2.194) 2.963 18.032 ( -4.557 -0.749 -5.784) 7.401 18.032 ( -4.557 0.749 -5.784) 7.401 22.365 ( 2.361 -1.797 1.156) 3.185 22.365 ( 2.361 1.797 1.156) 3.185 22.382 ( 0.990 -0.328 -0.069) 1.045 22.382 ( 0.990 0.328 -0.069) 1.045 22.508 ( 0.310 -0.839 0.104) 0.901 22.508 ( 0.310 0.839 0.104) 0.901 22.531 ( -1.672 -1.142 -1.664) 2.621 22.531 ( -1.672 1.142 -1.664) 2.621 24.421 ( 4.413 -2.309 1.251) 5.135 24.421 ( 4.413 2.309 1.251) 5.135 24.447 ( 3.553 -1.872 -0.977) 4.133 24.447 ( 3.553 1.872 -0.977) 4.133 24.520 ( -4.165 -2.183 1.080) 4.825 24.520 ( -4.165 2.183 1.080) 4.825 24.542 ( -4.946 -2.691 -0.776) 5.684 24.542 ( -4.946 2.691 -0.776) 5.684 26.427 ( 12.669 -5.909 4.244) 14.609 26.427 ( 12.669 5.909 4.244) 14.609 26.515 ( 12.248 -7.093 -3.441) 14.566 26.515 ( 12.248 7.093 -3.441) 14.566 26.656 ( -10.409 -5.911 4.010) 12.624 26.656 ( -10.409 5.911 4.010) 12.624 26.748 ( -11.308 -6.220 -4.111) 13.545 26.748 ( -11.308 6.220 -4.111) 13.545 27.378 ( 3.382 -1.263 -0.714) 3.680 27.378 ( 3.382 1.263 -0.714) 3.680 27.392 ( 2.056 -3.767 -1.896) 4.691 27.392 ( 2.056 3.767 -1.896) 4.691 27.867 ( 2.954 -4.329 2.650) 5.873 27.867 ( 2.954 4.329 2.650) 5.873 27.921 ( -2.067 -3.372 -2.140) 4.497 27.921 ( -2.067 3.372 -2.140) 4.497 28.169 ( 1.694 -0.781 6.394) 6.660 28.169 ( 1.694 0.781 6.394) 6.660 28.203 ( -1.831 -2.245 4.005) 4.943 28.203 ( -1.831 2.245 4.005) 4.943 28.425 ( -0.359 -2.243 -3.278) 3.988 28.425 ( -0.359 2.243 -3.278) 3.988 28.449 ( -2.725 -2.216 -4.863) 5.999 28.449 ( -2.725 2.216 -4.863) 5.999 29.107 ( 3.306 -4.170 2.731) 5.982 29.107 ( 3.306 4.170 2.731) 5.982 29.186 ( -4.485 -0.792 -2.954) 5.429 29.186 ( -4.485 0.792 -2.954) 5.429 29.399 ( 3.526 -1.141 1.716) 4.084 29.399 ( 3.526 1.141 1.716) 4.084 29.486 ( -5.277 -3.061 -4.646) 7.668 29.486 ( -5.277 3.061 -4.646) 7.668 30.599 ( 5.783 -6.364 3.435) 9.260 30.599 ( 5.783 6.364 3.435) 9.260 30.671 ( 5.407 -7.503 -2.381) 9.550 30.671 ( 5.407 7.503 -2.381) 9.550 30.712 ( -5.700 -11.084 3.396) 12.918 30.712 ( -5.700 11.084 3.396) 12.918 30.796 ( -7.119 -14.426 -3.539) 16.471 30.796 ( -7.119 14.426 -3.539) 16.471 33.185 ( 5.288 -4.217 3.373) 7.558 33.185 ( 5.288 4.217 3.373) 7.558 33.244 ( 0.722 -2.073 -1.559) 2.692 33.244 ( 0.722 2.073 -1.559) 2.692 33.473 ( -2.137 -1.128 2.570) 3.528 33.473 ( -2.137 1.128 2.570) 3.528 33.538 ( -7.108 -3.243 -2.925) 8.343 33.538 ( -7.108 3.243 -2.925) 8.343 36.873 ( 2.026 -3.468 0.326) 4.029 36.873 ( 2.026 3.468 0.326) 4.029 36.879 ( 1.485 -3.029 -0.152) 3.377 36.879 ( 1.485 3.029 -0.152) 3.377 37.408 ( 2.584 -0.421 0.577) 2.680 37.408 ( 2.584 0.421 0.577) 2.680 37.457 ( -2.479 -2.783 -3.798) 5.322 37.457 ( -2.479 2.783 -3.798) 5.322 38.529 ( 3.890 -3.307 7.407) 8.996 38.529 ( 3.890 3.307 7.407) 8.996 38.588 ( -2.154 -0.621 3.720) 4.343 38.588 ( -2.154 0.621 3.720) 4.343 39.017 ( 3.300 -1.174 -3.499) 4.951 39.017 ( 3.300 1.174 -3.499) 4.951 39.083 ( -3.452 -3.637 -7.958) 9.406 39.083 ( -3.452 3.637 -7.958) 9.406 39.957 ( 4.036 -1.887 3.470) 5.647 39.957 ( 4.036 1.887 3.470) 5.647 39.994 ( 0.710 -0.840 0.445) 1.187 39.994 ( 0.710 0.840 0.445) 1.187 40.535 ( 0.144 -2.203 1.186) 2.506 40.535 ( 0.144 2.203 1.186) 2.506 40.589 ( -4.983 -0.142 -3.111) 5.877 40.589 ( -4.983 0.142 -3.111) 5.877 41.983 ( 2.695 -0.981 3.594) 4.598 41.983 ( 2.695 0.981 3.594) 4.598 42.026 ( -1.709 -2.079 0.328) 2.712 42.026 ( -1.709 2.079 0.328) 2.712 42.421 ( 0.109 -1.459 -0.771) 1.654 42.421 ( 0.109 1.459 -0.771) 1.654 42.442 ( -1.989 -3.108 -2.236) 4.315 42.442 ( -1.989 3.108 -2.236) 4.315 83.578 ( 3.403 -2.976 5.135) 6.842 83.578 ( 3.403 2.976 5.135) 6.842 83.623 ( -0.995 -2.192 2.007) 3.134 83.623 ( -0.995 2.192 2.007) 3.134 84.121 ( 0.560 -0.737 1.172) 1.493 84.121 ( 0.560 0.737 1.172) 1.493 84.178 ( -4.944 -6.622 -2.899) 8.758 84.178 ( -4.944 6.622 -2.899) 8.758 88.321 ( 6.462 -3.754 3.791) 8.380 88.321 ( 6.462 3.754 3.791) 8.380 88.369 ( 1.512 -4.143 0.297) 4.420 88.369 ( 1.512 4.143 0.297) 4.420 88.953 ( 1.544 -1.116 -1.002) 2.152 88.953 ( 1.544 1.116 -1.002) 2.152 88.997 ( -2.811 -3.454 -4.310) 6.198 88.997 ( -2.811 3.454 -4.310) 6.198 93.038 ( 3.020 -0.813 1.581) 3.504 93.038 ( 3.020 0.813 1.581) 3.504 93.071 ( -0.333 -0.573 -1.281) 1.442 93.071 ( -0.333 0.573 -1.281) 1.442 94.342 ( 1.884 -2.035 0.993) 2.945 94.342 ( 1.884 2.035 0.993) 2.945 94.381 ( -2.212 -9.286 -2.392) 9.841 94.381 ( -2.212 9.286 -2.392) 9.841 97.631 ( 6.082 -11.421 2.880) 13.256 97.631 ( 6.082 11.421 2.880) 13.256 97.639 ( 5.954 -10.968 2.568) 12.742 97.639 ( 5.954 10.968 2.568) 12.742 97.844 ( -5.216 -10.708 -2.670) 12.206 97.844 ( -5.216 10.708 -2.670) 12.206 97.875 ( -7.675 -10.119 -4.975) 13.640 97.875 ( -7.675 10.119 -4.975) 13.640 =================== 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 3/50400 10.0 622.846 416.803 226.934 0.000 0.000 0.000 3/50400 20.0 59.238 53.302 44.195 0.000 0.000 0.000 3/50400 30.0 20.088 19.839 16.879 0.000 0.000 0.000 3/50400 40.0 10.625 10.762 9.038 0.000 0.000 0.000 3/50400 50.0 7.018 7.032 5.889 0.000 0.000 0.000 3/50400 60.0 5.238 5.120 4.302 0.000 0.000 0.000 3/50400 70.0 4.200 3.990 3.375 0.000 0.000 0.000 3/50400 80.0 3.520 3.254 2.777 0.000 0.000 0.000 3/50400 90.0 3.038 2.740 2.361 0.000 0.000 0.000 3/50400 100.0 2.677 2.364 2.057 0.000 0.000 0.000 3/50400 110.0 2.396 2.077 1.824 0.000 0.000 0.000 3/50400 120.0 2.169 1.851 1.641 0.000 0.000 0.000 3/50400 130.0 1.982 1.670 1.493 0.000 0.000 0.000 3/50400 140.0 1.826 1.522 1.371 0.000 0.000 0.000 3/50400 150.0 1.693 1.398 1.269 0.000 0.000 0.000 3/50400 160.0 1.579 1.293 1.182 0.000 0.000 0.000 3/50400 170.0 1.479 1.204 1.106 0.000 0.000 0.000 3/50400 180.0 1.392 1.126 1.040 0.000 0.000 0.000 3/50400 190.0 1.315 1.059 0.982 0.000 0.000 0.000 3/50400 200.0 1.246 0.999 0.931 0.000 0.000 0.000 3/50400 210.0 1.184 0.946 0.885 0.000 0.000 0.000 3/50400 220.0 1.129 0.899 0.844 0.000 0.000 0.000 3/50400 230.0 1.078 0.856 0.806 0.000 0.000 0.000 3/50400 240.0 1.033 0.818 0.772 0.000 0.000 0.000 3/50400 250.0 0.991 0.783 0.741 0.000 0.000 0.000 3/50400 260.0 0.952 0.751 0.712 0.000 0.000 0.000 3/50400 270.0 0.917 0.722 0.686 0.000 0.000 0.000 3/50400 280.0 0.884 0.695 0.662 0.000 0.000 0.000 3/50400 290.0 0.854 0.671 0.639 0.000 0.000 0.000 3/50400 300.0 0.825 0.648 0.618 0.000 0.000 0.000 3/50400 310.0 0.799 0.627 0.599 0.000 0.000 0.000 3/50400 320.0 0.775 0.607 0.580 0.000 0.000 0.000 3/50400 330.0 0.752 0.588 0.563 0.000 0.000 0.000 3/50400 340.0 0.730 0.571 0.547 0.000 0.000 0.000 3/50400 350.0 0.710 0.555 0.532 0.000 0.000 0.000 3/50400 360.0 0.690 0.540 0.518 0.000 0.000 0.000 3/50400 370.0 0.672 0.525 0.504 0.000 0.000 0.000 3/50400 380.0 0.655 0.512 0.491 0.000 0.000 0.000 3/50400 390.0 0.639 0.499 0.479 0.000 0.000 0.000 3/50400 400.0 0.623 0.487 0.468 0.000 0.000 0.000 3/50400 410.0 0.609 0.475 0.457 0.000 0.000 0.000 3/50400 420.0 0.595 0.464 0.447 0.000 0.000 0.000 3/50400 430.0 0.581 0.454 0.437 0.000 0.000 0.000 3/50400 440.0 0.569 0.444 0.427 0.000 0.000 0.000 3/50400 450.0 0.557 0.434 0.418 0.000 0.000 0.000 3/50400 460.0 0.545 0.425 0.409 0.000 0.000 0.000 3/50400 470.0 0.534 0.417 0.401 0.000 0.000 0.000 3/50400 480.0 0.523 0.408 0.393 0.000 0.000 0.000 3/50400 490.0 0.513 0.400 0.386 0.000 0.000 0.000 3/50400 500.0 0.503 0.393 0.378 0.000 0.000 0.000 3/50400 510.0 0.494 0.385 0.371 0.000 0.000 0.000 3/50400 520.0 0.484 0.378 0.364 0.000 0.000 0.000 3/50400 530.0 0.476 0.372 0.358 0.000 0.000 0.000 3/50400 540.0 0.467 0.365 0.352 0.000 0.000 0.000 3/50400 550.0 0.459 0.359 0.345 0.000 0.000 0.000 3/50400 560.0 0.451 0.353 0.340 0.000 0.000 0.000 3/50400 570.0 0.444 0.347 0.334 0.000 0.000 0.000 3/50400 580.0 0.436 0.341 0.328 0.000 0.000 0.000 3/50400 590.0 0.429 0.336 0.323 0.000 0.000 0.000 3/50400 600.0 0.422 0.330 0.318 0.000 0.000 0.000 3/50400 610.0 0.416 0.325 0.313 0.000 0.000 0.000 3/50400 620.0 0.409 0.320 0.308 0.000 0.000 0.000 3/50400 630.0 0.403 0.315 0.304 0.000 0.000 0.000 3/50400 640.0 0.397 0.311 0.299 0.000 0.000 0.000 3/50400 650.0 0.391 0.306 0.295 0.000 0.000 0.000 3/50400 660.0 0.386 0.302 0.291 0.000 0.000 0.000 3/50400 670.0 0.380 0.298 0.286 0.000 0.000 0.000 3/50400 680.0 0.375 0.293 0.282 0.000 0.000 0.000 3/50400 690.0 0.370 0.289 0.279 0.000 0.000 0.000 3/50400 700.0 0.364 0.285 0.275 0.000 0.000 0.000 3/50400 710.0 0.360 0.282 0.271 0.000 0.000 0.000 3/50400 720.0 0.355 0.278 0.267 0.000 0.000 0.000 3/50400 730.0 0.350 0.274 0.264 0.000 0.000 0.000 3/50400 740.0 0.346 0.271 0.261 0.000 0.000 0.000 3/50400 750.0 0.341 0.267 0.257 0.000 0.000 0.000 3/50400 760.0 0.337 0.264 0.254 0.000 0.000 0.000 3/50400 770.0 0.333 0.261 0.251 0.000 0.000 0.000 3/50400 780.0 0.328 0.258 0.248 0.000 0.000 0.000 3/50400 790.0 0.324 0.255 0.245 0.000 0.000 0.000 3/50400 800.0 0.321 0.252 0.242 0.000 0.000 0.000 3/50400 810.0 0.317 0.249 0.239 0.000 0.000 0.000 3/50400 820.0 0.313 0.246 0.236 0.000 0.000 0.000 3/50400 830.0 0.309 0.243 0.234 0.000 0.000 0.000 3/50400 840.0 0.306 0.240 0.231 0.000 0.000 0.000 3/50400 850.0 0.302 0.238 0.228 0.000 0.000 0.000 3/50400 860.0 0.299 0.235 0.226 0.000 0.000 0.000 3/50400 870.0 0.296 0.232 0.223 0.000 0.000 0.000 3/50400 880.0 0.293 0.230 0.221 0.000 0.000 0.000 3/50400 890.0 0.289 0.228 0.219 0.000 0.000 0.000 3/50400 900.0 0.286 0.225 0.216 0.000 0.000 0.000 3/50400 910.0 0.283 0.223 0.214 0.000 0.000 0.000 3/50400 920.0 0.280 0.221 0.212 0.000 0.000 0.000 3/50400 930.0 0.277 0.218 0.210 0.000 0.000 0.000 3/50400 940.0 0.275 0.216 0.207 0.000 0.000 0.000 3/50400 950.0 0.272 0.214 0.205 0.000 0.000 0.000 3/50400 960.0 0.269 0.212 0.203 0.000 0.000 0.000 3/50400 970.0 0.266 0.210 0.201 0.000 0.000 0.000 3/50400 980.0 0.264 0.208 0.199 0.000 0.000 0.000 3/50400 990.0 0.261 0.206 0.197 0.000 0.000 0.000 3/50400 1000.0 0.259 0.204 0.195 0.000 0.000 0.000 3/50400 Thermal conductivity related properties were written into "kappa-m765.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:23:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|