----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:04:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.926125270178541 0.000000000000000 0.000000000000000 b 0.000000000000000 10.898411339999999 0.000000000000000 c -7.385064589164658 0.000000000000000 8.061852968592737 Atomic positions (fractional): *1 Y 0.78776346197114 0.56150160491275 0.12785581351673 88.906 2 Y 0.78776346197114 0.93849839508725 0.62785581351673 88.906 3 Y 0.21223653802886 0.43849839508725 0.87214418648327 88.906 4 Y 0.21223653802886 0.06150160491275 0.37214418648327 88.906 *5 Y 0.27693483818525 0.57563337313094 0.59022473601475 88.906 6 Y 0.27693483818525 0.92436662686906 0.09022473601475 88.906 7 Y 0.72306516181475 0.42436662686906 0.40977526398525 88.906 8 Y 0.72306516181475 0.07563337313094 0.90977526398525 88.906 *9 H 0.55385040219095 0.41100751370574 0.85741187738352 1.008 10 H 0.55385040219095 0.08899248629426 0.35741187738352 1.008 11 H 0.44614959780905 0.58899248629426 0.14258812261648 1.008 12 H 0.44614959780905 0.91100751370574 0.64258812261648 1.008 *13 H 0.05403375588454 0.38080467247169 0.38562388743249 1.008 14 H 0.05403375588454 0.11919532752831 0.88562388743249 1.008 15 H 0.94596624411546 0.61919532752831 0.61437611256751 1.008 16 H 0.94596624411546 0.88080467247169 0.11437611256751 1.008 *17 S 0.86633545336265 0.67046838519837 0.86580926821980 32.065 18 S 0.86633545336265 0.82953161480163 0.36580926821980 32.065 19 S 0.13366454663735 0.32953161480164 0.13419073178020 32.065 20 S 0.13366454663735 0.17046838519836 0.63419073178020 32.065 *21 S 0.58816434083408 0.30923480414577 0.63260821199117 32.065 22 S 0.58816434083408 0.19076519585423 0.13260821199117 32.065 23 S 0.41183565916592 0.69076519585423 0.36739178800883 32.065 24 S 0.41183565916592 0.80923480414577 0.86739178800883 32.065 *25 O 0.87652178458611 0.67166309792429 0.00553178245107 15.999 26 O 0.87652178458611 0.82833690207571 0.50553178245107 15.999 27 O 0.12347821541389 0.32833690207571 0.99446821754893 15.999 28 O 0.12347821541389 0.17166309792428 0.49446821754893 15.999 *29 O 0.67978773277133 0.26290279448403 0.79526974846934 15.999 30 O 0.67978773277133 0.23709720551597 0.29526974846934 15.999 31 O 0.32021226722867 0.73709720551597 0.20473025153066 15.999 32 O 0.32021226722867 0.76290279448403 0.70473025153066 15.999 *33 O 0.50385248560267 0.20498986910005 0.51806534313644 15.999 34 O 0.50385248560267 0.29501013089995 0.01806534313644 15.999 35 O 0.49614751439733 0.79501013089995 0.48193465686356 15.999 36 O 0.49614751439733 0.70498986910005 0.98193465686356 15.999 *37 O 0.64293985228228 0.62508642335302 0.71571425190613 15.999 38 O 0.64293985228228 0.87491357664698 0.21571425190613 15.999 39 O 0.35706014771772 0.37491357664698 0.28428574809388 15.999 40 O 0.35706014771772 0.12508642335302 0.78428574809387 15.999 *41 O 0.40118105434239 0.39582981920875 0.56880676769499 15.999 42 O 0.40118105434239 0.10417018079125 0.06880676769499 15.999 43 O 0.59881894565761 0.60417018079125 0.43119323230501 15.999 44 O 0.59881894565761 0.89582981920875 0.93119323230501 15.999 *45 O 0.97001888675504 0.45465749819917 0.36971518302632 15.999 46 O 0.97001888675504 0.04534250180083 0.86971518302632 15.999 47 O 0.02998111324496 0.54534250180083 0.63028481697368 15.999 48 O 0.02998111324496 0.95465749819917 0.13028481697368 15.999 *49 O 0.48584543529654 0.48713847042716 0.85671675588665 15.999 50 O 0.48584543529654 0.01286152957284 0.35671675588665 15.999 51 O 0.51415456470346 0.51286152957284 0.14328324411335 15.999 52 O 0.51415456470346 0.98713847042716 0.64328324411335 15.999 *53 O 0.23154618770946 0.62682554904920 0.35163009470493 15.999 54 O 0.23154618770946 0.87317445095080 0.85163009470493 15.999 55 O 0.76845381229054 0.37317445095080 0.64836990529507 15.999 56 O 0.76845381229054 0.12682554904920 0.14836990529507 15.999 *57 O 0.95071713915830 0.40625844134178 0.09731973906988 15.999 58 O 0.95071713915830 0.09374155865822 0.59731973906988 15.999 59 O 0.04928286084170 0.59374155865822 0.90268026093012 15.999 60 O 0.04928286084170 0.90625844134178 0.40268026093012 15.999 *61 O 0.90418088658188 0.69950710925862 0.34339153091957 15.999 62 O 0.90418088658188 0.80049289074138 0.84339153091957 15.999 63 O 0.09581911341812 0.30049289074138 0.65660846908043 15.999 64 O 0.09581911341812 0.19950710925862 0.15660846908043 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.926125270178541 0.000000000000000 0.000000000000000 b 0.000000000000000 10.898411339999999 0.000000000000000 c -7.385064589164658 0.000000000000000 8.061852968592737 Atomic positions (fractional): *1 Y 0.78776346197114 0.56150160491275 0.12785581351673 88.906 > 1 2 Y 0.78776346197114 0.93849839508725 0.62785581351673 88.906 > 2 3 Y 0.21223653802886 0.43849839508725 0.87214418648327 88.906 > 3 4 Y 0.21223653802886 0.06150160491275 0.37214418648327 88.906 > 4 *5 Y 0.27693483818525 0.57563337313094 0.59022473601475 88.906 > 5 6 Y 0.27693483818525 0.92436662686906 0.09022473601475 88.906 > 6 7 Y 0.72306516181475 0.42436662686906 0.40977526398525 88.906 > 7 8 Y 0.72306516181475 0.07563337313094 0.90977526398525 88.906 > 8 *9 H 0.55385040219095 0.41100751370574 0.85741187738352 1.008 > 9 10 H 0.55385040219095 0.08899248629426 0.35741187738352 1.008 > 10 11 H 0.44614959780905 0.58899248629426 0.14258812261648 1.008 > 11 12 H 0.44614959780905 0.91100751370574 0.64258812261648 1.008 > 12 *13 H 0.05403375588454 0.38080467247169 0.38562388743249 1.008 > 13 14 H 0.05403375588454 0.11919532752831 0.88562388743249 1.008 > 14 15 H 0.94596624411546 0.61919532752831 0.61437611256751 1.008 > 15 16 H 0.94596624411546 0.88080467247169 0.11437611256751 1.008 > 16 *17 S 0.86633545336265 0.67046838519837 0.86580926821980 32.065 > 17 18 S 0.86633545336265 0.82953161480163 0.36580926821980 32.065 > 18 19 S 0.13366454663735 0.32953161480164 0.13419073178020 32.065 > 19 20 S 0.13366454663735 0.17046838519836 0.63419073178020 32.065 > 20 *21 S 0.58816434083408 0.30923480414577 0.63260821199117 32.065 > 21 22 S 0.58816434083408 0.19076519585423 0.13260821199117 32.065 > 22 23 S 0.41183565916592 0.69076519585423 0.36739178800883 32.065 > 23 24 S 0.41183565916592 0.80923480414577 0.86739178800883 32.065 > 24 *25 O 0.87652178458611 0.67166309792429 0.00553178245107 15.999 > 25 26 O 0.87652178458611 0.82833690207571 0.50553178245107 15.999 > 26 27 O 0.12347821541389 0.32833690207571 0.99446821754893 15.999 > 27 28 O 0.12347821541389 0.17166309792428 0.49446821754893 15.999 > 28 *29 O 0.67978773277133 0.26290279448403 0.79526974846934 15.999 > 29 30 O 0.67978773277133 0.23709720551597 0.29526974846934 15.999 > 30 31 O 0.32021226722867 0.73709720551597 0.20473025153066 15.999 > 31 32 O 0.32021226722867 0.76290279448403 0.70473025153066 15.999 > 32 *33 O 0.50385248560267 0.20498986910005 0.51806534313644 15.999 > 33 34 O 0.50385248560267 0.29501013089995 0.01806534313644 15.999 > 34 35 O 0.49614751439733 0.79501013089995 0.48193465686356 15.999 > 35 36 O 0.49614751439733 0.70498986910005 0.98193465686356 15.999 > 36 *37 O 0.64293985228228 0.62508642335302 0.71571425190613 15.999 > 37 38 O 0.64293985228228 0.87491357664698 0.21571425190613 15.999 > 38 39 O 0.35706014771772 0.37491357664698 0.28428574809388 15.999 > 39 40 O 0.35706014771772 0.12508642335302 0.78428574809387 15.999 > 40 *41 O 0.40118105434239 0.39582981920875 0.56880676769499 15.999 > 41 42 O 0.40118105434239 0.10417018079125 0.06880676769499 15.999 > 42 43 O 0.59881894565761 0.60417018079125 0.43119323230501 15.999 > 43 44 O 0.59881894565761 0.89582981920875 0.93119323230501 15.999 > 44 *45 O 0.97001888675504 0.45465749819917 0.36971518302632 15.999 > 45 46 O 0.97001888675504 0.04534250180083 0.86971518302632 15.999 > 46 47 O 0.02998111324496 0.54534250180083 0.63028481697368 15.999 > 47 48 O 0.02998111324496 0.95465749819917 0.13028481697368 15.999 > 48 *49 O 0.48584543529654 0.48713847042716 0.85671675588665 15.999 > 49 50 O 0.48584543529654 0.01286152957284 0.35671675588665 15.999 > 50 51 O 0.51415456470346 0.51286152957284 0.14328324411335 15.999 > 51 52 O 0.51415456470346 0.98713847042716 0.64328324411335 15.999 > 52 *53 O 0.23154618770946 0.62682554904920 0.35163009470493 15.999 > 53 54 O 0.23154618770946 0.87317445095080 0.85163009470493 15.999 > 54 55 O 0.76845381229054 0.37317445095080 0.64836990529507 15.999 > 55 56 O 0.76845381229054 0.12682554904920 0.14836990529507 15.999 > 56 *57 O 0.95071713915830 0.40625844134178 0.09731973906988 15.999 > 57 58 O 0.95071713915830 0.09374155865822 0.59731973906988 15.999 > 58 59 O 0.04928286084170 0.59374155865822 0.90268026093012 15.999 > 59 60 O 0.04928286084170 0.90625844134178 0.40268026093012 15.999 > 60 *61 O 0.90418088658188 0.69950710925862 0.34339153091957 15.999 > 61 62 O 0.90418088658188 0.80049289074138 0.84339153091957 15.999 > 62 63 O 0.09581911341812 0.30049289074138 0.65660846908043 15.999 > 63 64 O 0.09581911341812 0.19950710925862 0.15660846908043 15.999 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.852250540357081 0.000000000000000 0.000000000000000 b 0.000000000000000 10.898411339999999 0.000000000000000 c -7.385064589164658 0.000000000000000 8.061852968592737 Atomic positions (fractional): *1 Y 0.39388173098557 0.56150160491275 0.12785581351673 88.906 > 1 2 Y 0.89388173098557 0.56150160491275 0.12785581351673 88.906 > 1 3 Y 0.39388173098557 0.93849839508725 0.62785581351673 88.906 > 2 4 Y 0.89388173098557 0.93849839508725 0.62785581351673 88.906 > 2 5 Y 0.10611826901443 0.43849839508725 0.87214418648327 88.906 > 3 6 Y 0.60611826901443 0.43849839508725 0.87214418648327 88.906 > 3 7 Y 0.10611826901443 0.06150160491275 0.37214418648327 88.906 > 4 8 Y 0.60611826901443 0.06150160491275 0.37214418648327 88.906 > 4 *9 Y 0.13846741909262 0.57563337313094 0.59022473601475 88.906 > 5 10 Y 0.63846741909262 0.57563337313094 0.59022473601475 88.906 > 5 11 Y 0.13846741909262 0.92436662686906 0.09022473601475 88.906 > 6 12 Y 0.63846741909262 0.92436662686906 0.09022473601475 88.906 > 6 13 Y 0.36153258090738 0.42436662686906 0.40977526398525 88.906 > 7 14 Y 0.86153258090738 0.42436662686906 0.40977526398525 88.906 > 7 15 Y 0.36153258090738 0.07563337313094 0.90977526398525 88.906 > 8 16 Y 0.86153258090738 0.07563337313094 0.90977526398525 88.906 > 8 *17 H 0.27692520109548 0.41100751370574 0.85741187738352 1.008 > 9 18 H 0.77692520109548 0.41100751370574 0.85741187738352 1.008 > 9 19 H 0.27692520109548 0.08899248629426 0.35741187738352 1.008 > 10 20 H 0.77692520109548 0.08899248629426 0.35741187738352 1.008 > 10 21 H 0.22307479890452 0.58899248629426 0.14258812261648 1.008 > 11 22 H 0.72307479890452 0.58899248629426 0.14258812261648 1.008 > 11 23 H 0.22307479890452 0.91100751370574 0.64258812261648 1.008 > 12 24 H 0.72307479890452 0.91100751370574 0.64258812261648 1.008 > 12 *25 H 0.02701687794227 0.38080467247169 0.38562388743249 1.008 > 13 26 H 0.52701687794227 0.38080467247169 0.38562388743249 1.008 > 13 27 H 0.02701687794227 0.11919532752831 0.88562388743249 1.008 > 14 28 H 0.52701687794227 0.11919532752831 0.88562388743249 1.008 > 14 29 H 0.47298312205773 0.61919532752831 0.61437611256751 1.008 > 15 30 H 0.97298312205773 0.61919532752831 0.61437611256751 1.008 > 15 31 H 0.47298312205773 0.88080467247169 0.11437611256751 1.008 > 16 32 H 0.97298312205773 0.88080467247169 0.11437611256751 1.008 > 16 *33 S 0.43316772668132 0.67046838519837 0.86580926821980 32.065 > 17 34 S 0.93316772668132 0.67046838519837 0.86580926821980 32.065 > 17 35 S 0.43316772668132 0.82953161480163 0.36580926821980 32.065 > 18 36 S 0.93316772668132 0.82953161480163 0.36580926821980 32.065 > 18 37 S 0.06683227331868 0.32953161480164 0.13419073178020 32.065 > 19 38 S 0.56683227331868 0.32953161480164 0.13419073178020 32.065 > 19 39 S 0.06683227331868 0.17046838519836 0.63419073178020 32.065 > 20 40 S 0.56683227331868 0.17046838519836 0.63419073178020 32.065 > 20 *41 S 0.29408217041704 0.30923480414577 0.63260821199117 32.065 > 21 42 S 0.79408217041704 0.30923480414577 0.63260821199117 32.065 > 21 43 S 0.29408217041704 0.19076519585423 0.13260821199117 32.065 > 22 44 S 0.79408217041704 0.19076519585423 0.13260821199117 32.065 > 22 45 S 0.20591782958296 0.69076519585423 0.36739178800883 32.065 > 23 46 S 0.70591782958296 0.69076519585423 0.36739178800883 32.065 > 23 47 S 0.20591782958296 0.80923480414577 0.86739178800883 32.065 > 24 48 S 0.70591782958296 0.80923480414577 0.86739178800883 32.065 > 24 *49 O 0.43826089229305 0.67166309792429 0.00553178245107 15.999 > 25 50 O 0.93826089229305 0.67166309792429 0.00553178245107 15.999 > 25 51 O 0.43826089229305 0.82833690207571 0.50553178245107 15.999 > 26 52 O 0.93826089229305 0.82833690207571 0.50553178245107 15.999 > 26 53 O 0.06173910770694 0.32833690207571 0.99446821754893 15.999 > 27 54 O 0.56173910770695 0.32833690207571 0.99446821754893 15.999 > 27 55 O 0.06173910770694 0.17166309792428 0.49446821754893 15.999 > 28 56 O 0.56173910770695 0.17166309792428 0.49446821754893 15.999 > 28 *57 O 0.33989386638566 0.26290279448403 0.79526974846934 15.999 > 29 58 O 0.83989386638566 0.26290279448403 0.79526974846934 15.999 > 29 59 O 0.33989386638566 0.23709720551597 0.29526974846934 15.999 > 30 60 O 0.83989386638566 0.23709720551597 0.29526974846934 15.999 > 30 61 O 0.16010613361434 0.73709720551597 0.20473025153066 15.999 > 31 62 O 0.66010613361434 0.73709720551597 0.20473025153066 15.999 > 31 63 O 0.16010613361434 0.76290279448403 0.70473025153066 15.999 > 32 64 O 0.66010613361434 0.76290279448403 0.70473025153066 15.999 > 32 *65 O 0.25192624280134 0.20498986910005 0.51806534313644 15.999 > 33 66 O 0.75192624280134 0.20498986910005 0.51806534313644 15.999 > 33 67 O 0.25192624280134 0.29501013089995 0.01806534313644 15.999 > 34 68 O 0.75192624280134 0.29501013089995 0.01806534313644 15.999 > 34 69 O 0.24807375719866 0.79501013089995 0.48193465686356 15.999 > 35 70 O 0.74807375719866 0.79501013089995 0.48193465686356 15.999 > 35 71 O 0.24807375719866 0.70498986910005 0.98193465686356 15.999 > 36 72 O 0.74807375719866 0.70498986910005 0.98193465686356 15.999 > 36 *73 O 0.32146992614114 0.62508642335302 0.71571425190613 15.999 > 37 74 O 0.82146992614114 0.62508642335302 0.71571425190613 15.999 > 37 75 O 0.32146992614114 0.87491357664698 0.21571425190613 15.999 > 38 76 O 0.82146992614114 0.87491357664698 0.21571425190613 15.999 > 38 77 O 0.17853007385886 0.37491357664698 0.28428574809388 15.999 > 39 78 O 0.67853007385886 0.37491357664698 0.28428574809388 15.999 > 39 79 O 0.17853007385886 0.12508642335302 0.78428574809387 15.999 > 40 80 O 0.67853007385886 0.12508642335302 0.78428574809387 15.999 > 40 *81 O 0.20059052717120 0.39582981920875 0.56880676769499 15.999 > 41 82 O 0.70059052717120 0.39582981920875 0.56880676769499 15.999 > 41 83 O 0.20059052717120 0.10417018079125 0.06880676769499 15.999 > 42 84 O 0.70059052717120 0.10417018079125 0.06880676769499 15.999 > 42 85 O 0.29940947282880 0.60417018079125 0.43119323230501 15.999 > 43 86 O 0.79940947282880 0.60417018079125 0.43119323230501 15.999 > 43 87 O 0.29940947282880 0.89582981920875 0.93119323230501 15.999 > 44 88 O 0.79940947282880 0.89582981920875 0.93119323230501 15.999 > 44 *89 O 0.48500944337752 0.45465749819917 0.36971518302632 15.999 > 45 90 O 0.98500944337752 0.45465749819917 0.36971518302632 15.999 > 45 91 O 0.48500944337752 0.04534250180083 0.86971518302632 15.999 > 46 92 O 0.98500944337752 0.04534250180083 0.86971518302632 15.999 > 46 93 O 0.01499055662248 0.54534250180083 0.63028481697368 15.999 > 47 94 O 0.51499055662248 0.54534250180083 0.63028481697368 15.999 > 47 95 O 0.01499055662248 0.95465749819917 0.13028481697368 15.999 > 48 96 O 0.51499055662248 0.95465749819917 0.13028481697368 15.999 > 48 *97 O 0.24292271764827 0.48713847042716 0.85671675588665 15.999 > 49 98 O 0.74292271764827 0.48713847042716 0.85671675588665 15.999 > 49 99 O 0.24292271764827 0.01286152957284 0.35671675588665 15.999 > 50 100 O 0.74292271764827 0.01286152957284 0.35671675588665 15.999 > 50 101 O 0.25707728235173 0.51286152957284 0.14328324411335 15.999 > 51 102 O 0.75707728235173 0.51286152957284 0.14328324411335 15.999 > 51 103 O 0.25707728235173 0.98713847042716 0.64328324411335 15.999 > 52 104 O 0.75707728235173 0.98713847042716 0.64328324411335 15.999 > 52 *105 O 0.11577309385473 0.62682554904920 0.35163009470493 15.999 > 53 106 O 0.61577309385473 0.62682554904920 0.35163009470493 15.999 > 53 107 O 0.11577309385473 0.87317445095080 0.85163009470493 15.999 > 54 108 O 0.61577309385473 0.87317445095080 0.85163009470493 15.999 > 54 109 O 0.38422690614527 0.37317445095080 0.64836990529507 15.999 > 55 110 O 0.88422690614527 0.37317445095080 0.64836990529507 15.999 > 55 111 O 0.38422690614527 0.12682554904920 0.14836990529507 15.999 > 56 112 O 0.88422690614527 0.12682554904920 0.14836990529507 15.999 > 56 *113 O 0.47535856957915 0.40625844134178 0.09731973906988 15.999 > 57 114 O 0.97535856957915 0.40625844134178 0.09731973906988 15.999 > 57 115 O 0.47535856957915 0.09374155865822 0.59731973906988 15.999 > 58 116 O 0.97535856957915 0.09374155865822 0.59731973906988 15.999 > 58 117 O 0.02464143042085 0.59374155865822 0.90268026093012 15.999 > 59 118 O 0.52464143042085 0.59374155865822 0.90268026093012 15.999 > 59 119 O 0.02464143042085 0.90625844134178 0.40268026093012 15.999 > 60 120 O 0.52464143042085 0.90625844134178 0.40268026093012 15.999 > 60 *121 O 0.45209044329094 0.69950710925862 0.34339153091957 15.999 > 61 122 O 0.95209044329094 0.69950710925862 0.34339153091957 15.999 > 61 123 O 0.45209044329094 0.80049289074138 0.84339153091957 15.999 > 62 124 O 0.95209044329094 0.80049289074138 0.84339153091957 15.999 > 62 125 O 0.04790955670906 0.30049289074138 0.65660846908043 15.999 > 63 126 O 0.54790955670906 0.30049289074138 0.65660846908043 15.999 > 63 127 O 0.04790955670906 0.19950710925862 0.15660846908043 15.999 > 64 128 O 0.54790955670906 0.19950710925862 0.15660846908043 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1993379 0.0000000 0.0004387 0.0000000 3.1288952 0.0000000 0.0004392 0.0000000 3.1585837 -------------------------- Born effective charges -------------------------- 1 Y 4.1416181 0.0008103 -0.1659461 -0.2719953 3.8535654 0.0791369 -0.1327426 -0.4071863 4.0996375 2 Y 4.1416181 -0.0008103 -0.1659461 0.2719953 3.8535654 -0.0791369 -0.1327426 0.4071863 4.0996375 3 Y 4.1416181 0.0008103 -0.1659461 -0.2719953 3.8535654 0.0791369 -0.1327426 -0.4071863 4.0996375 4 Y 4.1416181 -0.0008103 -0.1659461 0.2719953 3.8535654 -0.0791369 -0.1327426 0.4071863 4.0996375 5 Y 4.1115419 -0.1111681 -0.0753030 0.0050053 3.9350315 -0.0456482 0.3288978 0.3624082 3.9268743 6 Y 4.1115419 0.1111681 -0.0753030 -0.0050053 3.9350315 0.0456482 0.3288978 -0.3624082 3.9268743 7 Y 4.1115419 -0.1111681 -0.0753030 0.0050053 3.9350315 -0.0456482 0.3288978 0.3624082 3.9268743 8 Y 4.1115419 0.1111681 -0.0753030 -0.0050053 3.9350315 0.0456482 0.3288978 -0.3624082 3.9268743 9 H 0.5213237 -0.1111508 -0.0059046 -0.0794528 0.4608830 0.0072869 -0.0596264 0.0834797 0.4323573 10 H 0.5213237 0.1111508 -0.0059046 0.0794528 0.4608830 -0.0072869 -0.0596264 -0.0834797 0.4323573 11 H 0.5213237 -0.1111508 -0.0059046 -0.0794528 0.4608830 0.0072869 -0.0596264 0.0834797 0.4323573 12 H 0.5213237 0.1111508 -0.0059046 0.0794528 0.4608830 -0.0072869 -0.0596264 -0.0834797 0.4323573 13 H 0.5217611 0.0073688 0.1240197 -0.0505860 0.4530031 -0.0925971 0.1459187 -0.0918294 0.5008508 14 H 0.5217611 -0.0073688 0.1240197 0.0505860 0.4530031 0.0925971 0.1459187 0.0918294 0.5008508 15 H 0.5217611 0.0073688 0.1240197 -0.0505860 0.4530031 -0.0925971 0.1459187 -0.0918294 0.5008508 16 H 0.5217611 -0.0073688 0.1240197 0.0505860 0.4530031 0.0925971 0.1459187 0.0918294 0.5008508 17 S 4.1799651 0.1833644 0.1534882 -0.0633600 4.0063875 -0.0612824 -0.0733167 0.0816454 3.7307735 18 S 4.1799651 -0.1833644 0.1534882 0.0633600 4.0063875 0.0612824 -0.0733167 -0.0816454 3.7307735 19 S 4.1799651 0.1833644 0.1534882 -0.0633600 4.0063875 -0.0612824 -0.0733167 0.0816454 3.7307735 20 S 4.1799651 -0.1833644 0.1534882 0.0633600 4.0063875 0.0612824 -0.0733167 -0.0816454 3.7307735 21 S 3.9699084 0.1878351 0.0317018 -0.1158976 4.0933204 -0.3121250 -0.4548986 0.0181595 3.6504003 22 S 3.9699084 -0.1878351 0.0317018 0.1158976 4.0933204 0.3121250 -0.4548986 -0.0181595 3.6504003 23 S 3.9699084 0.1878351 0.0317018 -0.1158976 4.0933204 -0.3121250 -0.4548986 0.0181595 3.6504003 24 S 3.9699084 -0.1878351 0.0317018 0.1158976 4.0933204 0.3121250 -0.4548986 -0.0181595 3.6504003 25 O -1.9998444 -0.3386584 0.9118936 -0.2437864 -1.1794338 0.1676988 0.9477478 0.2254861 -1.8925825 26 O -1.9998444 0.3386584 0.9118936 0.2437864 -1.1794338 -0.1676988 0.9477478 -0.2254861 -1.8925825 27 O -1.9998444 -0.3386584 0.9118936 -0.2437864 -1.1794338 0.1676988 0.9477478 0.2254861 -1.8925825 28 O -1.9998444 0.3386584 0.9118936 0.2437864 -1.1794338 -0.1676988 0.9477478 -0.2254861 -1.8925825 29 O -1.1663485 -0.2461921 0.4086044 -0.2283898 -1.7641758 0.7528225 0.4959042 0.7326636 -2.0771055 30 O -1.1663485 0.2461921 0.4086044 0.2283898 -1.7641758 -0.7528225 0.4959042 -0.7326636 -2.0771055 31 O -1.1663485 -0.2461921 0.4086044 -0.2283898 -1.7641758 0.7528225 0.4959042 0.7326636 -2.0771055 32 O -1.1663485 0.2461921 0.4086044 0.2283898 -1.7641758 -0.7528225 0.4959042 -0.7326636 -2.0771055 33 O -1.1088783 -0.1247448 -0.1277739 -0.1066301 -2.1510496 -0.8443010 0.0031213 -0.8392348 -1.6458961 34 O -1.1088783 0.1247448 -0.1277739 0.1066301 -2.1510496 0.8443010 0.0031213 0.8392348 -1.6458961 35 O -1.1088783 -0.1247448 -0.1277739 -0.1066301 -2.1510496 -0.8443010 0.0031213 -0.8392348 -1.6458961 36 O -1.1088783 0.1247448 -0.1277739 0.1066301 -2.1510496 0.8443010 0.0031213 0.8392348 -1.6458961 37 O -1.8108344 -0.4442681 -0.8634380 -0.3802152 -1.1214880 -0.3939882 -0.7811123 -0.4449466 -1.9481645 38 O -1.8108344 0.4442681 -0.8634380 0.3802152 -1.1214880 0.3939882 -0.7811123 0.4449466 -1.9481645 39 O -1.8108344 -0.4442681 -0.8634380 -0.3802152 -1.1214880 -0.3939882 -0.7811123 -0.4449466 -1.9481645 40 O -1.8108344 0.4442681 -0.8634380 0.3802152 -1.1214880 0.3939882 -0.7811123 0.4449466 -1.9481645 41 O -1.8859445 0.9027384 -0.3361551 1.0732166 -2.1879577 0.3537161 -0.1719744 0.1335072 -1.0999796 42 O -1.8859445 -0.9027384 -0.3361551 -1.0732166 -2.1879577 -0.3537161 -0.1719744 -0.1335072 -1.0999796 43 O -1.8859445 0.9027384 -0.3361551 1.0732166 -2.1879577 0.3537161 -0.1719744 0.1335072 -1.0999796 44 O -1.8859445 -0.9027384 -0.3361551 -1.0732166 -2.1879577 -0.3537161 -0.1719744 -0.1335072 -1.0999796 45 O -1.7893129 -0.2440122 -0.0353896 -0.2328259 -1.3922460 0.1396208 -0.2002823 0.0690747 -1.9056101 46 O -1.7893129 0.2440122 -0.0353896 0.2328259 -1.3922460 -0.1396208 -0.2002823 -0.0690747 -1.9056101 47 O -1.7893129 -0.2440122 -0.0353896 -0.2328259 -1.3922460 0.1396208 -0.2002823 0.0690747 -1.9056101 48 O -1.7893129 0.2440122 -0.0353896 0.2328259 -1.3922460 -0.1396208 -0.2002823 -0.0690747 -1.9056101 49 O -1.6585212 -0.1928692 0.0268164 -0.2105914 -1.2565602 -0.0085318 0.0083541 0.0475667 -1.9673627 50 O -1.6585212 0.1928692 0.0268164 0.2105914 -1.2565602 0.0085318 0.0083541 -0.0475667 -1.9673627 51 O -1.6585212 -0.1928692 0.0268164 -0.2105914 -1.2565602 -0.0085318 0.0083541 0.0475667 -1.9673627 52 O -1.6585212 0.1928692 0.0268164 0.2105914 -1.2565602 0.0085318 0.0083541 -0.0475667 -1.9673627 53 O -2.4463608 -0.7577586 0.0728366 -0.6779884 -1.3034429 0.0765714 0.0695527 0.0045318 -1.3484374 54 O -2.4463608 0.7577586 0.0728366 0.6779884 -1.3034429 -0.0765714 0.0695527 -0.0045318 -1.3484374 55 O -2.4463608 -0.7577586 0.0728366 -0.6779884 -1.3034429 0.0765714 0.0695527 0.0045318 -1.3484374 56 O -2.4463608 0.7577586 0.0728366 0.6779884 -1.3034429 -0.0765714 0.0695527 -0.0045318 -1.3484374 57 O -2.2704584 1.0212135 -0.1967176 1.0666115 -1.8421810 0.0942649 -0.1880401 0.1313906 -1.0057095 58 O -2.2704584 -1.0212135 -0.1967176 -1.0666115 -1.8421810 -0.0942649 -0.1880401 -0.1313906 -1.0057095 59 O -2.2704584 1.0212135 -0.1967176 1.0666115 -1.8421810 0.0942649 -0.1880401 0.1313906 -1.0057095 60 O -2.2704584 -1.0212135 -0.1967176 -1.0666115 -1.8421810 -0.0942649 -0.1880401 -0.1313906 -1.0057095 61 O -1.3096148 0.6802078 0.0772672 0.6020942 -2.6036559 -0.2790272 0.0624966 -0.3035129 -1.4500457 62 O -1.3096148 -0.6802078 0.0772672 -0.6020942 -2.6036559 0.2790272 0.0624966 0.3035129 -1.4500457 63 O -1.3096148 0.6802078 0.0772672 0.6020942 -2.6036559 -0.2790272 0.0624966 -0.3035129 -1.4500457 64 O -1.3096148 -0.6802078 0.0772672 -0.6020942 -2.6036559 0.2790272 0.0624966 0.3035129 -1.4500457 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9408 Number of blocks in projector: 9408 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 116 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 116 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9408, 9265), data: False |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 18), data: (548, 50) @ (50, 18) |-- (298, 266), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 18), data: (548, 50) @ (50, 18) |-- (298, 266), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1920 - Time: 2.783 Solver_block: 200 / 1920 - Time: 2.445 Solver_block: 300 / 1920 - Time: 2.443 Solver_block: 400 / 1920 - Time: 2.452 Solver_block: 500 / 1920 - Time: 2.450 Solver_block: 600 / 1920 - Time: 2.460 Solver_block: 700 / 1920 - Time: 2.450 Solver_block: 800 / 1920 - Time: 2.438 Solver_block: 900 / 1920 - Time: 2.441 Solver_block: 1000 / 1920 - Time: 2.438 Solver_block: 1100 / 1920 - Time: 2.445 Solver_block: 1200 / 1920 - Time: 2.442 Solver_block: 1300 / 1920 - Time: 2.443 Solver_block: 1400 / 1920 - Time: 2.445 Solver_block: 1500 / 1920 - Time: 2.449 Solver_block: 1600 / 1920 - Time: 2.449 Solver_block: 1700 / 1920 - Time: 2.449 Solver_block: 1800 / 1920 - Time: 2.448 Solver_block: 1900 / 1920 - Time: 2.449 Solver_block: 1920 / 1920 - Time: 0.783 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 49.106 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9408 Number of blocks in projector: 9408 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 116 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 516 eigenvectors found. (1) Complementary block size: 116 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 234 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 572 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9408, 9265), data: False |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 27), data: (588, 43) @ (43, 27) |-- (88, 73), data: True |-- (250, 234), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 18), data: (548, 50) @ (50, 18) |-- (298, 266), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 18), data: (548, 50) @ (50, 18) |-- (298, 266), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 22:06:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:06:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.926125270178541 0.000000000000000 0.000000000000000 b 0.000000000000000 10.898411339999999 0.000000000000000 c -7.385064589164658 0.000000000000000 8.061852968592737 Atomic positions (fractional): 1 Y 0.78776346197114 0.56150160491275 0.12785581351673 88.906 2 Y 0.78776346197114 0.93849839508725 0.62785581351673 88.906 3 Y 0.21223653802886 0.43849839508725 0.87214418648327 88.906 4 Y 0.21223653802886 0.06150160491275 0.37214418648327 88.906 5 Y 0.27693483818525 0.57563337313094 0.59022473601475 88.906 6 Y 0.27693483818525 0.92436662686906 0.09022473601475 88.906 7 Y 0.72306516181475 0.42436662686906 0.40977526398525 88.906 8 Y 0.72306516181475 0.07563337313094 0.90977526398525 88.906 9 H 0.55385040219095 0.41100751370574 0.85741187738352 1.008 10 H 0.55385040219095 0.08899248629426 0.35741187738352 1.008 11 H 0.44614959780905 0.58899248629426 0.14258812261648 1.008 12 H 0.44614959780905 0.91100751370574 0.64258812261648 1.008 13 H 0.05403375588454 0.38080467247169 0.38562388743249 1.008 14 H 0.05403375588454 0.11919532752831 0.88562388743249 1.008 15 H 0.94596624411546 0.61919532752831 0.61437611256751 1.008 16 H 0.94596624411546 0.88080467247169 0.11437611256751 1.008 17 S 0.86633545336265 0.67046838519837 0.86580926821980 32.065 18 S 0.86633545336265 0.82953161480163 0.36580926821980 32.065 19 S 0.13366454663735 0.32953161480164 0.13419073178020 32.065 20 S 0.13366454663735 0.17046838519836 0.63419073178020 32.065 21 S 0.58816434083408 0.30923480414577 0.63260821199117 32.065 22 S 0.58816434083408 0.19076519585423 0.13260821199117 32.065 23 S 0.41183565916592 0.69076519585423 0.36739178800883 32.065 24 S 0.41183565916592 0.80923480414577 0.86739178800883 32.065 25 O 0.87652178458611 0.67166309792429 0.00553178245107 15.999 26 O 0.87652178458611 0.82833690207571 0.50553178245107 15.999 27 O 0.12347821541389 0.32833690207571 0.99446821754893 15.999 28 O 0.12347821541389 0.17166309792428 0.49446821754893 15.999 29 O 0.67978773277133 0.26290279448403 0.79526974846934 15.999 30 O 0.67978773277133 0.23709720551597 0.29526974846934 15.999 31 O 0.32021226722867 0.73709720551597 0.20473025153066 15.999 32 O 0.32021226722867 0.76290279448403 0.70473025153066 15.999 33 O 0.50385248560267 0.20498986910005 0.51806534313644 15.999 34 O 0.50385248560267 0.29501013089995 0.01806534313644 15.999 35 O 0.49614751439733 0.79501013089995 0.48193465686356 15.999 36 O 0.49614751439733 0.70498986910005 0.98193465686356 15.999 37 O 0.64293985228228 0.62508642335302 0.71571425190613 15.999 38 O 0.64293985228228 0.87491357664698 0.21571425190613 15.999 39 O 0.35706014771772 0.37491357664698 0.28428574809388 15.999 40 O 0.35706014771772 0.12508642335302 0.78428574809387 15.999 41 O 0.40118105434239 0.39582981920875 0.56880676769499 15.999 42 O 0.40118105434239 0.10417018079125 0.06880676769499 15.999 43 O 0.59881894565761 0.60417018079125 0.43119323230501 15.999 44 O 0.59881894565761 0.89582981920875 0.93119323230501 15.999 45 O 0.97001888675504 0.45465749819917 0.36971518302632 15.999 46 O 0.97001888675504 0.04534250180083 0.86971518302632 15.999 47 O 0.02998111324496 0.54534250180083 0.63028481697368 15.999 48 O 0.02998111324496 0.95465749819917 0.13028481697368 15.999 49 O 0.48584543529654 0.48713847042716 0.85671675588665 15.999 50 O 0.48584543529654 0.01286152957284 0.35671675588665 15.999 51 O 0.51415456470346 0.51286152957284 0.14328324411335 15.999 52 O 0.51415456470346 0.98713847042716 0.64328324411335 15.999 53 O 0.23154618770946 0.62682554904920 0.35163009470493 15.999 54 O 0.23154618770946 0.87317445095080 0.85163009470493 15.999 55 O 0.76845381229054 0.37317445095080 0.64836990529507 15.999 56 O 0.76845381229054 0.12682554904920 0.14836990529507 15.999 57 O 0.95071713915830 0.40625844134178 0.09731973906988 15.999 58 O 0.95071713915830 0.09374155865822 0.59731973906988 15.999 59 O 0.04928286084170 0.59374155865822 0.90268026093012 15.999 60 O 0.04928286084170 0.90625844134178 0.40268026093012 15.999 61 O 0.90418088658188 0.69950710925862 0.34339153091957 15.999 62 O 0.90418088658188 0.80049289074138 0.84339153091957 15.999 63 O 0.09581911341812 0.30049289074138 0.65660846908043 15.999 64 O 0.09581911341812 0.19950710925862 0.15660846908043 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.852250540357081 0.000000000000000 0.000000000000000 b 0.000000000000000 10.898411339999999 0.000000000000000 c -7.385064589164658 0.000000000000000 8.061852968592737 Atomic positions (fractional): 1 Y 0.39388173098557 0.56150160491275 0.12785581351673 88.906 > 1 2 Y 0.89388173098557 0.56150160491275 0.12785581351673 88.906 > 1 3 Y 0.39388173098557 0.93849839508725 0.62785581351673 88.906 > 3 4 Y 0.89388173098557 0.93849839508725 0.62785581351673 88.906 > 3 5 Y 0.10611826901443 0.43849839508725 0.87214418648327 88.906 > 5 6 Y 0.60611826901443 0.43849839508725 0.87214418648327 88.906 > 5 7 Y 0.10611826901443 0.06150160491275 0.37214418648327 88.906 > 7 8 Y 0.60611826901443 0.06150160491275 0.37214418648327 88.906 > 7 9 Y 0.13846741909262 0.57563337313094 0.59022473601475 88.906 > 9 10 Y 0.63846741909262 0.57563337313094 0.59022473601475 88.906 > 9 11 Y 0.13846741909262 0.92436662686906 0.09022473601475 88.906 > 11 12 Y 0.63846741909262 0.92436662686906 0.09022473601475 88.906 > 11 13 Y 0.36153258090738 0.42436662686906 0.40977526398525 88.906 > 13 14 Y 0.86153258090738 0.42436662686906 0.40977526398525 88.906 > 13 15 Y 0.36153258090738 0.07563337313094 0.90977526398525 88.906 > 15 16 Y 0.86153258090738 0.07563337313094 0.90977526398525 88.906 > 15 17 H 0.27692520109548 0.41100751370574 0.85741187738352 1.008 > 17 18 H 0.77692520109548 0.41100751370574 0.85741187738352 1.008 > 17 19 H 0.27692520109548 0.08899248629426 0.35741187738352 1.008 > 19 20 H 0.77692520109548 0.08899248629426 0.35741187738352 1.008 > 19 21 H 0.22307479890452 0.58899248629426 0.14258812261648 1.008 > 21 22 H 0.72307479890452 0.58899248629426 0.14258812261648 1.008 > 21 23 H 0.22307479890452 0.91100751370574 0.64258812261648 1.008 > 23 24 H 0.72307479890452 0.91100751370574 0.64258812261648 1.008 > 23 25 H 0.02701687794227 0.38080467247169 0.38562388743249 1.008 > 25 26 H 0.52701687794227 0.38080467247169 0.38562388743249 1.008 > 25 27 H 0.02701687794227 0.11919532752831 0.88562388743249 1.008 > 27 28 H 0.52701687794227 0.11919532752831 0.88562388743249 1.008 > 27 29 H 0.47298312205773 0.61919532752831 0.61437611256751 1.008 > 29 30 H 0.97298312205773 0.61919532752831 0.61437611256751 1.008 > 29 31 H 0.47298312205773 0.88080467247169 0.11437611256751 1.008 > 31 32 H 0.97298312205773 0.88080467247169 0.11437611256751 1.008 > 31 33 S 0.43316772668132 0.67046838519837 0.86580926821980 32.065 > 33 34 S 0.93316772668132 0.67046838519837 0.86580926821980 32.065 > 33 35 S 0.43316772668132 0.82953161480163 0.36580926821980 32.065 > 35 36 S 0.93316772668132 0.82953161480163 0.36580926821980 32.065 > 35 37 S 0.06683227331868 0.32953161480164 0.13419073178020 32.065 > 37 38 S 0.56683227331868 0.32953161480164 0.13419073178020 32.065 > 37 39 S 0.06683227331868 0.17046838519836 0.63419073178020 32.065 > 39 40 S 0.56683227331868 0.17046838519836 0.63419073178020 32.065 > 39 41 S 0.29408217041704 0.30923480414577 0.63260821199117 32.065 > 41 42 S 0.79408217041704 0.30923480414577 0.63260821199117 32.065 > 41 43 S 0.29408217041704 0.19076519585423 0.13260821199117 32.065 > 43 44 S 0.79408217041704 0.19076519585423 0.13260821199117 32.065 > 43 45 S 0.20591782958296 0.69076519585423 0.36739178800883 32.065 > 45 46 S 0.70591782958296 0.69076519585423 0.36739178800883 32.065 > 45 47 S 0.20591782958296 0.80923480414577 0.86739178800883 32.065 > 47 48 S 0.70591782958296 0.80923480414577 0.86739178800883 32.065 > 47 49 O 0.43826089229305 0.67166309792429 0.00553178245107 15.999 > 49 50 O 0.93826089229305 0.67166309792429 0.00553178245107 15.999 > 49 51 O 0.43826089229305 0.82833690207571 0.50553178245107 15.999 > 51 52 O 0.93826089229305 0.82833690207571 0.50553178245107 15.999 > 51 53 O 0.06173910770694 0.32833690207571 0.99446821754893 15.999 > 53 54 O 0.56173910770695 0.32833690207571 0.99446821754893 15.999 > 53 55 O 0.06173910770694 0.17166309792428 0.49446821754893 15.999 > 55 56 O 0.56173910770695 0.17166309792428 0.49446821754893 15.999 > 55 57 O 0.33989386638566 0.26290279448403 0.79526974846934 15.999 > 57 58 O 0.83989386638566 0.26290279448403 0.79526974846934 15.999 > 57 59 O 0.33989386638566 0.23709720551597 0.29526974846934 15.999 > 59 60 O 0.83989386638566 0.23709720551597 0.29526974846934 15.999 > 59 61 O 0.16010613361434 0.73709720551597 0.20473025153066 15.999 > 61 62 O 0.66010613361434 0.73709720551597 0.20473025153066 15.999 > 61 63 O 0.16010613361434 0.76290279448403 0.70473025153066 15.999 > 63 64 O 0.66010613361434 0.76290279448403 0.70473025153066 15.999 > 63 65 O 0.25192624280134 0.20498986910005 0.51806534313644 15.999 > 65 66 O 0.75192624280134 0.20498986910005 0.51806534313644 15.999 > 65 67 O 0.25192624280134 0.29501013089995 0.01806534313644 15.999 > 67 68 O 0.75192624280134 0.29501013089995 0.01806534313644 15.999 > 67 69 O 0.24807375719866 0.79501013089995 0.48193465686356 15.999 > 69 70 O 0.74807375719866 0.79501013089995 0.48193465686356 15.999 > 69 71 O 0.24807375719866 0.70498986910005 0.98193465686356 15.999 > 71 72 O 0.74807375719866 0.70498986910005 0.98193465686356 15.999 > 71 73 O 0.32146992614114 0.62508642335302 0.71571425190613 15.999 > 73 74 O 0.82146992614114 0.62508642335302 0.71571425190613 15.999 > 73 75 O 0.32146992614114 0.87491357664698 0.21571425190613 15.999 > 75 76 O 0.82146992614114 0.87491357664698 0.21571425190613 15.999 > 75 77 O 0.17853007385886 0.37491357664698 0.28428574809388 15.999 > 77 78 O 0.67853007385886 0.37491357664698 0.28428574809388 15.999 > 77 79 O 0.17853007385886 0.12508642335302 0.78428574809387 15.999 > 79 80 O 0.67853007385886 0.12508642335302 0.78428574809387 15.999 > 79 81 O 0.20059052717120 0.39582981920875 0.56880676769499 15.999 > 81 82 O 0.70059052717120 0.39582981920875 0.56880676769499 15.999 > 81 83 O 0.20059052717120 0.10417018079125 0.06880676769499 15.999 > 83 84 O 0.70059052717120 0.10417018079125 0.06880676769499 15.999 > 83 85 O 0.29940947282880 0.60417018079125 0.43119323230501 15.999 > 85 86 O 0.79940947282880 0.60417018079125 0.43119323230501 15.999 > 85 87 O 0.29940947282880 0.89582981920875 0.93119323230501 15.999 > 87 88 O 0.79940947282880 0.89582981920875 0.93119323230501 15.999 > 87 89 O 0.48500944337752 0.45465749819917 0.36971518302632 15.999 > 89 90 O 0.98500944337752 0.45465749819917 0.36971518302632 15.999 > 89 91 O 0.48500944337752 0.04534250180083 0.86971518302632 15.999 > 91 92 O 0.98500944337752 0.04534250180083 0.86971518302632 15.999 > 91 93 O 0.01499055662248 0.54534250180083 0.63028481697368 15.999 > 93 94 O 0.51499055662248 0.54534250180083 0.63028481697368 15.999 > 93 95 O 0.01499055662248 0.95465749819917 0.13028481697368 15.999 > 95 96 O 0.51499055662248 0.95465749819917 0.13028481697368 15.999 > 95 97 O 0.24292271764827 0.48713847042716 0.85671675588665 15.999 > 97 98 O 0.74292271764827 0.48713847042716 0.85671675588665 15.999 > 97 99 O 0.24292271764827 0.01286152957284 0.35671675588665 15.999 > 99 100 O 0.74292271764827 0.01286152957284 0.35671675588665 15.999 > 99 101 O 0.25707728235173 0.51286152957284 0.14328324411335 15.999 > 101 102 O 0.75707728235173 0.51286152957284 0.14328324411335 15.999 > 101 103 O 0.25707728235173 0.98713847042716 0.64328324411335 15.999 > 103 104 O 0.75707728235173 0.98713847042716 0.64328324411335 15.999 > 103 105 O 0.11577309385473 0.62682554904920 0.35163009470493 15.999 > 105 106 O 0.61577309385473 0.62682554904920 0.35163009470493 15.999 > 105 107 O 0.11577309385473 0.87317445095080 0.85163009470493 15.999 > 107 108 O 0.61577309385473 0.87317445095080 0.85163009470493 15.999 > 107 109 O 0.38422690614527 0.37317445095080 0.64836990529507 15.999 > 109 110 O 0.88422690614527 0.37317445095080 0.64836990529507 15.999 > 109 111 O 0.38422690614527 0.12682554904920 0.14836990529507 15.999 > 111 112 O 0.88422690614527 0.12682554904920 0.14836990529507 15.999 > 111 113 O 0.47535856957915 0.40625844134178 0.09731973906988 15.999 > 113 114 O 0.97535856957915 0.40625844134178 0.09731973906988 15.999 > 113 115 O 0.47535856957915 0.09374155865822 0.59731973906988 15.999 > 115 116 O 0.97535856957915 0.09374155865822 0.59731973906988 15.999 > 115 117 O 0.02464143042085 0.59374155865822 0.90268026093012 15.999 > 117 118 O 0.52464143042085 0.59374155865822 0.90268026093012 15.999 > 117 119 O 0.02464143042085 0.90625844134178 0.40268026093012 15.999 > 119 120 O 0.52464143042085 0.90625844134178 0.40268026093012 15.999 > 119 121 O 0.45209044329094 0.69950710925862 0.34339153091957 15.999 > 121 122 O 0.95209044329094 0.69950710925862 0.34339153091957 15.999 > 121 123 O 0.45209044329094 0.80049289074138 0.84339153091957 15.999 > 123 124 O 0.95209044329094 0.80049289074138 0.84339153091957 15.999 > 123 125 O 0.04790955670906 0.30049289074138 0.65660846908043 15.999 > 125 126 O 0.54790955670906 0.30049289074138 0.65660846908043 15.999 > 125 127 O 0.04790955670906 0.19950710925862 0.15660846908043 15.999 > 127 128 O 0.54790955670906 0.19950710925862 0.15660846908043 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1993379 0.0000000 0.0004387 0.0000000 3.1288952 0.0000000 0.0004392 0.0000000 3.1585837 -------------------------- Born effective charges -------------------------- 1 Y 4.1416181 0.0008103 -0.1659461 -0.2719953 3.8535654 0.0791369 -0.1327426 -0.4071863 4.0996375 2 Y 4.1416181 -0.0008103 -0.1659461 0.2719953 3.8535654 -0.0791369 -0.1327426 0.4071863 4.0996375 3 Y 4.1416181 0.0008103 -0.1659461 -0.2719953 3.8535654 0.0791369 -0.1327426 -0.4071863 4.0996375 4 Y 4.1416181 -0.0008103 -0.1659461 0.2719953 3.8535654 -0.0791369 -0.1327426 0.4071863 4.0996375 5 Y 4.1115419 -0.1111681 -0.0753030 0.0050053 3.9350315 -0.0456482 0.3288978 0.3624082 3.9268743 6 Y 4.1115419 0.1111681 -0.0753030 -0.0050053 3.9350315 0.0456482 0.3288978 -0.3624082 3.9268743 7 Y 4.1115419 -0.1111681 -0.0753030 0.0050053 3.9350315 -0.0456482 0.3288978 0.3624082 3.9268743 8 Y 4.1115419 0.1111681 -0.0753030 -0.0050053 3.9350315 0.0456482 0.3288978 -0.3624082 3.9268743 9 H 0.5213237 -0.1111508 -0.0059046 -0.0794528 0.4608830 0.0072869 -0.0596264 0.0834797 0.4323573 10 H 0.5213237 0.1111508 -0.0059046 0.0794528 0.4608830 -0.0072869 -0.0596264 -0.0834797 0.4323573 11 H 0.5213237 -0.1111508 -0.0059046 -0.0794528 0.4608830 0.0072869 -0.0596264 0.0834797 0.4323573 12 H 0.5213237 0.1111508 -0.0059046 0.0794528 0.4608830 -0.0072869 -0.0596264 -0.0834797 0.4323573 13 H 0.5217611 0.0073688 0.1240197 -0.0505860 0.4530031 -0.0925971 0.1459187 -0.0918294 0.5008508 14 H 0.5217611 -0.0073688 0.1240197 0.0505860 0.4530031 0.0925971 0.1459187 0.0918294 0.5008508 15 H 0.5217611 0.0073688 0.1240197 -0.0505860 0.4530031 -0.0925971 0.1459187 -0.0918294 0.5008508 16 H 0.5217611 -0.0073688 0.1240197 0.0505860 0.4530031 0.0925971 0.1459187 0.0918294 0.5008508 17 S 4.1799651 0.1833644 0.1534882 -0.0633600 4.0063875 -0.0612824 -0.0733167 0.0816454 3.7307735 18 S 4.1799651 -0.1833644 0.1534882 0.0633600 4.0063875 0.0612824 -0.0733167 -0.0816454 3.7307735 19 S 4.1799651 0.1833644 0.1534882 -0.0633600 4.0063875 -0.0612824 -0.0733167 0.0816454 3.7307735 20 S 4.1799651 -0.1833644 0.1534882 0.0633600 4.0063875 0.0612824 -0.0733167 -0.0816454 3.7307735 21 S 3.9699084 0.1878351 0.0317018 -0.1158976 4.0933204 -0.3121250 -0.4548986 0.0181595 3.6504003 22 S 3.9699084 -0.1878351 0.0317018 0.1158976 4.0933204 0.3121250 -0.4548986 -0.0181595 3.6504003 23 S 3.9699084 0.1878351 0.0317018 -0.1158976 4.0933204 -0.3121250 -0.4548986 0.0181595 3.6504003 24 S 3.9699084 -0.1878351 0.0317018 0.1158976 4.0933204 0.3121250 -0.4548986 -0.0181595 3.6504003 25 O -1.9998444 -0.3386584 0.9118936 -0.2437864 -1.1794338 0.1676988 0.9477478 0.2254861 -1.8925825 26 O -1.9998444 0.3386584 0.9118936 0.2437864 -1.1794338 -0.1676988 0.9477478 -0.2254861 -1.8925825 27 O -1.9998444 -0.3386584 0.9118936 -0.2437864 -1.1794338 0.1676988 0.9477478 0.2254861 -1.8925825 28 O -1.9998444 0.3386584 0.9118936 0.2437864 -1.1794338 -0.1676988 0.9477478 -0.2254861 -1.8925825 29 O -1.1663485 -0.2461921 0.4086044 -0.2283898 -1.7641758 0.7528225 0.4959042 0.7326636 -2.0771055 30 O -1.1663485 0.2461921 0.4086044 0.2283898 -1.7641758 -0.7528225 0.4959042 -0.7326636 -2.0771055 31 O -1.1663485 -0.2461921 0.4086044 -0.2283898 -1.7641758 0.7528225 0.4959042 0.7326636 -2.0771055 32 O -1.1663485 0.2461921 0.4086044 0.2283898 -1.7641758 -0.7528225 0.4959042 -0.7326636 -2.0771055 33 O -1.1088783 -0.1247448 -0.1277739 -0.1066301 -2.1510496 -0.8443010 0.0031213 -0.8392348 -1.6458961 34 O -1.1088783 0.1247448 -0.1277739 0.1066301 -2.1510496 0.8443010 0.0031213 0.8392348 -1.6458961 35 O -1.1088783 -0.1247448 -0.1277739 -0.1066301 -2.1510496 -0.8443010 0.0031213 -0.8392348 -1.6458961 36 O -1.1088783 0.1247448 -0.1277739 0.1066301 -2.1510496 0.8443010 0.0031213 0.8392348 -1.6458961 37 O -1.8108344 -0.4442681 -0.8634380 -0.3802152 -1.1214880 -0.3939882 -0.7811123 -0.4449466 -1.9481645 38 O -1.8108344 0.4442681 -0.8634380 0.3802152 -1.1214880 0.3939882 -0.7811123 0.4449466 -1.9481645 39 O -1.8108344 -0.4442681 -0.8634380 -0.3802152 -1.1214880 -0.3939882 -0.7811123 -0.4449466 -1.9481645 40 O -1.8108344 0.4442681 -0.8634380 0.3802152 -1.1214880 0.3939882 -0.7811123 0.4449466 -1.9481645 41 O -1.8859445 0.9027384 -0.3361551 1.0732166 -2.1879577 0.3537161 -0.1719744 0.1335072 -1.0999796 42 O -1.8859445 -0.9027384 -0.3361551 -1.0732166 -2.1879577 -0.3537161 -0.1719744 -0.1335072 -1.0999796 43 O -1.8859445 0.9027384 -0.3361551 1.0732166 -2.1879577 0.3537161 -0.1719744 0.1335072 -1.0999796 44 O -1.8859445 -0.9027384 -0.3361551 -1.0732166 -2.1879577 -0.3537161 -0.1719744 -0.1335072 -1.0999796 45 O -1.7893129 -0.2440122 -0.0353896 -0.2328259 -1.3922460 0.1396208 -0.2002823 0.0690747 -1.9056101 46 O -1.7893129 0.2440122 -0.0353896 0.2328259 -1.3922460 -0.1396208 -0.2002823 -0.0690747 -1.9056101 47 O -1.7893129 -0.2440122 -0.0353896 -0.2328259 -1.3922460 0.1396208 -0.2002823 0.0690747 -1.9056101 48 O -1.7893129 0.2440122 -0.0353896 0.2328259 -1.3922460 -0.1396208 -0.2002823 -0.0690747 -1.9056101 49 O -1.6585212 -0.1928692 0.0268164 -0.2105914 -1.2565602 -0.0085318 0.0083541 0.0475667 -1.9673627 50 O -1.6585212 0.1928692 0.0268164 0.2105914 -1.2565602 0.0085318 0.0083541 -0.0475667 -1.9673627 51 O -1.6585212 -0.1928692 0.0268164 -0.2105914 -1.2565602 -0.0085318 0.0083541 0.0475667 -1.9673627 52 O -1.6585212 0.1928692 0.0268164 0.2105914 -1.2565602 0.0085318 0.0083541 -0.0475667 -1.9673627 53 O -2.4463608 -0.7577586 0.0728366 -0.6779884 -1.3034429 0.0765714 0.0695527 0.0045318 -1.3484374 54 O -2.4463608 0.7577586 0.0728366 0.6779884 -1.3034429 -0.0765714 0.0695527 -0.0045318 -1.3484374 55 O -2.4463608 -0.7577586 0.0728366 -0.6779884 -1.3034429 0.0765714 0.0695527 0.0045318 -1.3484374 56 O -2.4463608 0.7577586 0.0728366 0.6779884 -1.3034429 -0.0765714 0.0695527 -0.0045318 -1.3484374 57 O -2.2704584 1.0212135 -0.1967176 1.0666115 -1.8421810 0.0942649 -0.1880401 0.1313906 -1.0057095 58 O -2.2704584 -1.0212135 -0.1967176 -1.0666115 -1.8421810 -0.0942649 -0.1880401 -0.1313906 -1.0057095 59 O -2.2704584 1.0212135 -0.1967176 1.0666115 -1.8421810 0.0942649 -0.1880401 0.1313906 -1.0057095 60 O -2.2704584 -1.0212135 -0.1967176 -1.0666115 -1.8421810 -0.0942649 -0.1880401 -0.1313906 -1.0057095 61 O -1.3096148 0.6802078 0.0772672 0.6020942 -2.6036559 -0.2790272 0.0624966 -0.3035129 -1.4500457 62 O -1.3096148 -0.6802078 0.0772672 -0.6020942 -2.6036559 0.2790272 0.0624966 0.3035129 -1.4500457 63 O -1.3096148 0.6802078 0.0772672 0.6020942 -2.6036559 -0.2790272 0.0624966 -0.3035129 -1.4500457 64 O -1.3096148 -0.6802078 0.0772672 -0.6020942 -2.6036559 0.2790272 0.0624966 0.3035129 -1.4500457 ---------------------------------------------------------------------------- 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] Computing fc3[ 81, 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] Computing fc3[ 97, 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] Computing fc3[ 105, 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] Computing fc3[ 113, 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] Computing fc3[ 121, 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] [-0.0068 0.0000 0.0074] [ 0.0068 0.0000 -0.0074] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:08:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:08:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.926125270178541 0.000000000000000 0.000000000000000 b 0.000000000000000 10.898411339999999 0.000000000000000 c -7.385064589164658 0.000000000000000 8.061852968592737 Atomic positions (fractional): 1 Y 0.78776346197114 0.56150160491275 0.12785581351673 88.906 2 Y 0.78776346197114 0.93849839508725 0.62785581351673 88.906 3 Y 0.21223653802886 0.43849839508725 0.87214418648327 88.906 4 Y 0.21223653802886 0.06150160491275 0.37214418648327 88.906 5 Y 0.27693483818525 0.57563337313094 0.59022473601475 88.906 6 Y 0.27693483818525 0.92436662686906 0.09022473601475 88.906 7 Y 0.72306516181475 0.42436662686906 0.40977526398525 88.906 8 Y 0.72306516181475 0.07563337313094 0.90977526398525 88.906 9 H 0.55385040219095 0.41100751370574 0.85741187738352 1.008 10 H 0.55385040219095 0.08899248629426 0.35741187738352 1.008 11 H 0.44614959780905 0.58899248629426 0.14258812261648 1.008 12 H 0.44614959780905 0.91100751370574 0.64258812261648 1.008 13 H 0.05403375588454 0.38080467247169 0.38562388743249 1.008 14 H 0.05403375588454 0.11919532752831 0.88562388743249 1.008 15 H 0.94596624411546 0.61919532752831 0.61437611256751 1.008 16 H 0.94596624411546 0.88080467247169 0.11437611256751 1.008 17 S 0.86633545336265 0.67046838519837 0.86580926821980 32.065 18 S 0.86633545336265 0.82953161480163 0.36580926821980 32.065 19 S 0.13366454663735 0.32953161480164 0.13419073178020 32.065 20 S 0.13366454663735 0.17046838519836 0.63419073178020 32.065 21 S 0.58816434083408 0.30923480414577 0.63260821199117 32.065 22 S 0.58816434083408 0.19076519585423 0.13260821199117 32.065 23 S 0.41183565916592 0.69076519585423 0.36739178800883 32.065 24 S 0.41183565916592 0.80923480414577 0.86739178800883 32.065 25 O 0.87652178458611 0.67166309792429 0.00553178245107 15.999 26 O 0.87652178458611 0.82833690207571 0.50553178245107 15.999 27 O 0.12347821541389 0.32833690207571 0.99446821754893 15.999 28 O 0.12347821541389 0.17166309792428 0.49446821754893 15.999 29 O 0.67978773277133 0.26290279448403 0.79526974846934 15.999 30 O 0.67978773277133 0.23709720551597 0.29526974846934 15.999 31 O 0.32021226722867 0.73709720551597 0.20473025153066 15.999 32 O 0.32021226722867 0.76290279448403 0.70473025153066 15.999 33 O 0.50385248560267 0.20498986910005 0.51806534313644 15.999 34 O 0.50385248560267 0.29501013089995 0.01806534313644 15.999 35 O 0.49614751439733 0.79501013089995 0.48193465686356 15.999 36 O 0.49614751439733 0.70498986910005 0.98193465686356 15.999 37 O 0.64293985228228 0.62508642335302 0.71571425190613 15.999 38 O 0.64293985228228 0.87491357664698 0.21571425190613 15.999 39 O 0.35706014771772 0.37491357664698 0.28428574809388 15.999 40 O 0.35706014771772 0.12508642335302 0.78428574809387 15.999 41 O 0.40118105434239 0.39582981920875 0.56880676769499 15.999 42 O 0.40118105434239 0.10417018079125 0.06880676769499 15.999 43 O 0.59881894565761 0.60417018079125 0.43119323230501 15.999 44 O 0.59881894565761 0.89582981920875 0.93119323230501 15.999 45 O 0.97001888675504 0.45465749819917 0.36971518302632 15.999 46 O 0.97001888675504 0.04534250180083 0.86971518302632 15.999 47 O 0.02998111324496 0.54534250180083 0.63028481697368 15.999 48 O 0.02998111324496 0.95465749819917 0.13028481697368 15.999 49 O 0.48584543529654 0.48713847042716 0.85671675588665 15.999 50 O 0.48584543529654 0.01286152957284 0.35671675588665 15.999 51 O 0.51415456470346 0.51286152957284 0.14328324411335 15.999 52 O 0.51415456470346 0.98713847042716 0.64328324411335 15.999 53 O 0.23154618770946 0.62682554904920 0.35163009470493 15.999 54 O 0.23154618770946 0.87317445095080 0.85163009470493 15.999 55 O 0.76845381229054 0.37317445095080 0.64836990529507 15.999 56 O 0.76845381229054 0.12682554904920 0.14836990529507 15.999 57 O 0.95071713915830 0.40625844134178 0.09731973906988 15.999 58 O 0.95071713915830 0.09374155865822 0.59731973906988 15.999 59 O 0.04928286084170 0.59374155865822 0.90268026093012 15.999 60 O 0.04928286084170 0.90625844134178 0.40268026093012 15.999 61 O 0.90418088658188 0.69950710925862 0.34339153091957 15.999 62 O 0.90418088658188 0.80049289074138 0.84339153091957 15.999 63 O 0.09581911341812 0.30049289074138 0.65660846908043 15.999 64 O 0.09581911341812 0.19950710925862 0.15660846908043 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.852250540357081 0.000000000000000 0.000000000000000 b 0.000000000000000 10.898411339999999 0.000000000000000 c -7.385064589164658 0.000000000000000 8.061852968592737 Atomic positions (fractional): 1 Y 0.39388173098557 0.56150160491275 0.12785581351673 88.906 > 1 2 Y 0.89388173098557 0.56150160491275 0.12785581351673 88.906 > 1 3 Y 0.39388173098557 0.93849839508725 0.62785581351673 88.906 > 3 4 Y 0.89388173098557 0.93849839508725 0.62785581351673 88.906 > 3 5 Y 0.10611826901443 0.43849839508725 0.87214418648327 88.906 > 5 6 Y 0.60611826901443 0.43849839508725 0.87214418648327 88.906 > 5 7 Y 0.10611826901443 0.06150160491275 0.37214418648327 88.906 > 7 8 Y 0.60611826901443 0.06150160491275 0.37214418648327 88.906 > 7 9 Y 0.13846741909262 0.57563337313094 0.59022473601475 88.906 > 9 10 Y 0.63846741909262 0.57563337313094 0.59022473601475 88.906 > 9 11 Y 0.13846741909262 0.92436662686906 0.09022473601475 88.906 > 11 12 Y 0.63846741909262 0.92436662686906 0.09022473601475 88.906 > 11 13 Y 0.36153258090738 0.42436662686906 0.40977526398525 88.906 > 13 14 Y 0.86153258090738 0.42436662686906 0.40977526398525 88.906 > 13 15 Y 0.36153258090738 0.07563337313094 0.90977526398525 88.906 > 15 16 Y 0.86153258090738 0.07563337313094 0.90977526398525 88.906 > 15 17 H 0.27692520109548 0.41100751370574 0.85741187738352 1.008 > 17 18 H 0.77692520109548 0.41100751370574 0.85741187738352 1.008 > 17 19 H 0.27692520109548 0.08899248629426 0.35741187738352 1.008 > 19 20 H 0.77692520109548 0.08899248629426 0.35741187738352 1.008 > 19 21 H 0.22307479890452 0.58899248629426 0.14258812261648 1.008 > 21 22 H 0.72307479890452 0.58899248629426 0.14258812261648 1.008 > 21 23 H 0.22307479890452 0.91100751370574 0.64258812261648 1.008 > 23 24 H 0.72307479890452 0.91100751370574 0.64258812261648 1.008 > 23 25 H 0.02701687794227 0.38080467247169 0.38562388743249 1.008 > 25 26 H 0.52701687794227 0.38080467247169 0.38562388743249 1.008 > 25 27 H 0.02701687794227 0.11919532752831 0.88562388743249 1.008 > 27 28 H 0.52701687794227 0.11919532752831 0.88562388743249 1.008 > 27 29 H 0.47298312205773 0.61919532752831 0.61437611256751 1.008 > 29 30 H 0.97298312205773 0.61919532752831 0.61437611256751 1.008 > 29 31 H 0.47298312205773 0.88080467247169 0.11437611256751 1.008 > 31 32 H 0.97298312205773 0.88080467247169 0.11437611256751 1.008 > 31 33 S 0.43316772668132 0.67046838519837 0.86580926821980 32.065 > 33 34 S 0.93316772668132 0.67046838519837 0.86580926821980 32.065 > 33 35 S 0.43316772668132 0.82953161480163 0.36580926821980 32.065 > 35 36 S 0.93316772668132 0.82953161480163 0.36580926821980 32.065 > 35 37 S 0.06683227331868 0.32953161480164 0.13419073178020 32.065 > 37 38 S 0.56683227331868 0.32953161480164 0.13419073178020 32.065 > 37 39 S 0.06683227331868 0.17046838519836 0.63419073178020 32.065 > 39 40 S 0.56683227331868 0.17046838519836 0.63419073178020 32.065 > 39 41 S 0.29408217041704 0.30923480414577 0.63260821199117 32.065 > 41 42 S 0.79408217041704 0.30923480414577 0.63260821199117 32.065 > 41 43 S 0.29408217041704 0.19076519585423 0.13260821199117 32.065 > 43 44 S 0.79408217041704 0.19076519585423 0.13260821199117 32.065 > 43 45 S 0.20591782958296 0.69076519585423 0.36739178800883 32.065 > 45 46 S 0.70591782958296 0.69076519585423 0.36739178800883 32.065 > 45 47 S 0.20591782958296 0.80923480414577 0.86739178800883 32.065 > 47 48 S 0.70591782958296 0.80923480414577 0.86739178800883 32.065 > 47 49 O 0.43826089229305 0.67166309792429 0.00553178245107 15.999 > 49 50 O 0.93826089229305 0.67166309792429 0.00553178245107 15.999 > 49 51 O 0.43826089229305 0.82833690207571 0.50553178245107 15.999 > 51 52 O 0.93826089229305 0.82833690207571 0.50553178245107 15.999 > 51 53 O 0.06173910770694 0.32833690207571 0.99446821754893 15.999 > 53 54 O 0.56173910770695 0.32833690207571 0.99446821754893 15.999 > 53 55 O 0.06173910770694 0.17166309792428 0.49446821754893 15.999 > 55 56 O 0.56173910770695 0.17166309792428 0.49446821754893 15.999 > 55 57 O 0.33989386638566 0.26290279448403 0.79526974846934 15.999 > 57 58 O 0.83989386638566 0.26290279448403 0.79526974846934 15.999 > 57 59 O 0.33989386638566 0.23709720551597 0.29526974846934 15.999 > 59 60 O 0.83989386638566 0.23709720551597 0.29526974846934 15.999 > 59 61 O 0.16010613361434 0.73709720551597 0.20473025153066 15.999 > 61 62 O 0.66010613361434 0.73709720551597 0.20473025153066 15.999 > 61 63 O 0.16010613361434 0.76290279448403 0.70473025153066 15.999 > 63 64 O 0.66010613361434 0.76290279448403 0.70473025153066 15.999 > 63 65 O 0.25192624280134 0.20498986910005 0.51806534313644 15.999 > 65 66 O 0.75192624280134 0.20498986910005 0.51806534313644 15.999 > 65 67 O 0.25192624280134 0.29501013089995 0.01806534313644 15.999 > 67 68 O 0.75192624280134 0.29501013089995 0.01806534313644 15.999 > 67 69 O 0.24807375719866 0.79501013089995 0.48193465686356 15.999 > 69 70 O 0.74807375719866 0.79501013089995 0.48193465686356 15.999 > 69 71 O 0.24807375719866 0.70498986910005 0.98193465686356 15.999 > 71 72 O 0.74807375719866 0.70498986910005 0.98193465686356 15.999 > 71 73 O 0.32146992614114 0.62508642335302 0.71571425190613 15.999 > 73 74 O 0.82146992614114 0.62508642335302 0.71571425190613 15.999 > 73 75 O 0.32146992614114 0.87491357664698 0.21571425190613 15.999 > 75 76 O 0.82146992614114 0.87491357664698 0.21571425190613 15.999 > 75 77 O 0.17853007385886 0.37491357664698 0.28428574809388 15.999 > 77 78 O 0.67853007385886 0.37491357664698 0.28428574809388 15.999 > 77 79 O 0.17853007385886 0.12508642335302 0.78428574809387 15.999 > 79 80 O 0.67853007385886 0.12508642335302 0.78428574809387 15.999 > 79 81 O 0.20059052717120 0.39582981920875 0.56880676769499 15.999 > 81 82 O 0.70059052717120 0.39582981920875 0.56880676769499 15.999 > 81 83 O 0.20059052717120 0.10417018079125 0.06880676769499 15.999 > 83 84 O 0.70059052717120 0.10417018079125 0.06880676769499 15.999 > 83 85 O 0.29940947282880 0.60417018079125 0.43119323230501 15.999 > 85 86 O 0.79940947282880 0.60417018079125 0.43119323230501 15.999 > 85 87 O 0.29940947282880 0.89582981920875 0.93119323230501 15.999 > 87 88 O 0.79940947282880 0.89582981920875 0.93119323230501 15.999 > 87 89 O 0.48500944337752 0.45465749819917 0.36971518302632 15.999 > 89 90 O 0.98500944337752 0.45465749819917 0.36971518302632 15.999 > 89 91 O 0.48500944337752 0.04534250180083 0.86971518302632 15.999 > 91 92 O 0.98500944337752 0.04534250180083 0.86971518302632 15.999 > 91 93 O 0.01499055662248 0.54534250180083 0.63028481697368 15.999 > 93 94 O 0.51499055662248 0.54534250180083 0.63028481697368 15.999 > 93 95 O 0.01499055662248 0.95465749819917 0.13028481697368 15.999 > 95 96 O 0.51499055662248 0.95465749819917 0.13028481697368 15.999 > 95 97 O 0.24292271764827 0.48713847042716 0.85671675588665 15.999 > 97 98 O 0.74292271764827 0.48713847042716 0.85671675588665 15.999 > 97 99 O 0.24292271764827 0.01286152957284 0.35671675588665 15.999 > 99 100 O 0.74292271764827 0.01286152957284 0.35671675588665 15.999 > 99 101 O 0.25707728235173 0.51286152957284 0.14328324411335 15.999 > 101 102 O 0.75707728235173 0.51286152957284 0.14328324411335 15.999 > 101 103 O 0.25707728235173 0.98713847042716 0.64328324411335 15.999 > 103 104 O 0.75707728235173 0.98713847042716 0.64328324411335 15.999 > 103 105 O 0.11577309385473 0.62682554904920 0.35163009470493 15.999 > 105 106 O 0.61577309385473 0.62682554904920 0.35163009470493 15.999 > 105 107 O 0.11577309385473 0.87317445095080 0.85163009470493 15.999 > 107 108 O 0.61577309385473 0.87317445095080 0.85163009470493 15.999 > 107 109 O 0.38422690614527 0.37317445095080 0.64836990529507 15.999 > 109 110 O 0.88422690614527 0.37317445095080 0.64836990529507 15.999 > 109 111 O 0.38422690614527 0.12682554904920 0.14836990529507 15.999 > 111 112 O 0.88422690614527 0.12682554904920 0.14836990529507 15.999 > 111 113 O 0.47535856957915 0.40625844134178 0.09731973906988 15.999 > 113 114 O 0.97535856957915 0.40625844134178 0.09731973906988 15.999 > 113 115 O 0.47535856957915 0.09374155865822 0.59731973906988 15.999 > 115 116 O 0.97535856957915 0.09374155865822 0.59731973906988 15.999 > 115 117 O 0.02464143042085 0.59374155865822 0.90268026093012 15.999 > 117 118 O 0.52464143042085 0.59374155865822 0.90268026093012 15.999 > 117 119 O 0.02464143042085 0.90625844134178 0.40268026093012 15.999 > 119 120 O 0.52464143042085 0.90625844134178 0.40268026093012 15.999 > 119 121 O 0.45209044329094 0.69950710925862 0.34339153091957 15.999 > 121 122 O 0.95209044329094 0.69950710925862 0.34339153091957 15.999 > 121 123 O 0.45209044329094 0.80049289074138 0.84339153091957 15.999 > 123 124 O 0.95209044329094 0.80049289074138 0.84339153091957 15.999 > 123 125 O 0.04790955670906 0.30049289074138 0.65660846908043 15.999 > 125 126 O 0.54790955670906 0.30049289074138 0.65660846908043 15.999 > 125 127 O 0.04790955670906 0.19950710925862 0.15660846908043 15.999 > 127 128 O 0.54790955670906 0.19950710925862 0.15660846908043 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1993379 0.0000000 0.0004387 0.0000000 3.1288952 0.0000000 0.0004392 0.0000000 3.1585837 -------------------------- Born effective charges -------------------------- 1 Y 4.1416181 0.0008103 -0.1659461 -0.2719953 3.8535654 0.0791369 -0.1327426 -0.4071863 4.0996375 2 Y 4.1416181 -0.0008103 -0.1659461 0.2719953 3.8535654 -0.0791369 -0.1327426 0.4071863 4.0996375 3 Y 4.1416181 0.0008103 -0.1659461 -0.2719953 3.8535654 0.0791369 -0.1327426 -0.4071863 4.0996375 4 Y 4.1416181 -0.0008103 -0.1659461 0.2719953 3.8535654 -0.0791369 -0.1327426 0.4071863 4.0996375 5 Y 4.1115419 -0.1111681 -0.0753030 0.0050053 3.9350315 -0.0456482 0.3288978 0.3624082 3.9268743 6 Y 4.1115419 0.1111681 -0.0753030 -0.0050053 3.9350315 0.0456482 0.3288978 -0.3624082 3.9268743 7 Y 4.1115419 -0.1111681 -0.0753030 0.0050053 3.9350315 -0.0456482 0.3288978 0.3624082 3.9268743 8 Y 4.1115419 0.1111681 -0.0753030 -0.0050053 3.9350315 0.0456482 0.3288978 -0.3624082 3.9268743 9 H 0.5213237 -0.1111508 -0.0059046 -0.0794528 0.4608830 0.0072869 -0.0596264 0.0834797 0.4323573 10 H 0.5213237 0.1111508 -0.0059046 0.0794528 0.4608830 -0.0072869 -0.0596264 -0.0834797 0.4323573 11 H 0.5213237 -0.1111508 -0.0059046 -0.0794528 0.4608830 0.0072869 -0.0596264 0.0834797 0.4323573 12 H 0.5213237 0.1111508 -0.0059046 0.0794528 0.4608830 -0.0072869 -0.0596264 -0.0834797 0.4323573 13 H 0.5217611 0.0073688 0.1240197 -0.0505860 0.4530031 -0.0925971 0.1459187 -0.0918294 0.5008508 14 H 0.5217611 -0.0073688 0.1240197 0.0505860 0.4530031 0.0925971 0.1459187 0.0918294 0.5008508 15 H 0.5217611 0.0073688 0.1240197 -0.0505860 0.4530031 -0.0925971 0.1459187 -0.0918294 0.5008508 16 H 0.5217611 -0.0073688 0.1240197 0.0505860 0.4530031 0.0925971 0.1459187 0.0918294 0.5008508 17 S 4.1799651 0.1833644 0.1534882 -0.0633600 4.0063875 -0.0612824 -0.0733167 0.0816454 3.7307735 18 S 4.1799651 -0.1833644 0.1534882 0.0633600 4.0063875 0.0612824 -0.0733167 -0.0816454 3.7307735 19 S 4.1799651 0.1833644 0.1534882 -0.0633600 4.0063875 -0.0612824 -0.0733167 0.0816454 3.7307735 20 S 4.1799651 -0.1833644 0.1534882 0.0633600 4.0063875 0.0612824 -0.0733167 -0.0816454 3.7307735 21 S 3.9699084 0.1878351 0.0317018 -0.1158976 4.0933204 -0.3121250 -0.4548986 0.0181595 3.6504003 22 S 3.9699084 -0.1878351 0.0317018 0.1158976 4.0933204 0.3121250 -0.4548986 -0.0181595 3.6504003 23 S 3.9699084 0.1878351 0.0317018 -0.1158976 4.0933204 -0.3121250 -0.4548986 0.0181595 3.6504003 24 S 3.9699084 -0.1878351 0.0317018 0.1158976 4.0933204 0.3121250 -0.4548986 -0.0181595 3.6504003 25 O -1.9998444 -0.3386584 0.9118936 -0.2437864 -1.1794338 0.1676988 0.9477478 0.2254861 -1.8925825 26 O -1.9998444 0.3386584 0.9118936 0.2437864 -1.1794338 -0.1676988 0.9477478 -0.2254861 -1.8925825 27 O -1.9998444 -0.3386584 0.9118936 -0.2437864 -1.1794338 0.1676988 0.9477478 0.2254861 -1.8925825 28 O -1.9998444 0.3386584 0.9118936 0.2437864 -1.1794338 -0.1676988 0.9477478 -0.2254861 -1.8925825 29 O -1.1663485 -0.2461921 0.4086044 -0.2283898 -1.7641758 0.7528225 0.4959042 0.7326636 -2.0771055 30 O -1.1663485 0.2461921 0.4086044 0.2283898 -1.7641758 -0.7528225 0.4959042 -0.7326636 -2.0771055 31 O -1.1663485 -0.2461921 0.4086044 -0.2283898 -1.7641758 0.7528225 0.4959042 0.7326636 -2.0771055 32 O -1.1663485 0.2461921 0.4086044 0.2283898 -1.7641758 -0.7528225 0.4959042 -0.7326636 -2.0771055 33 O -1.1088783 -0.1247448 -0.1277739 -0.1066301 -2.1510496 -0.8443010 0.0031213 -0.8392348 -1.6458961 34 O -1.1088783 0.1247448 -0.1277739 0.1066301 -2.1510496 0.8443010 0.0031213 0.8392348 -1.6458961 35 O -1.1088783 -0.1247448 -0.1277739 -0.1066301 -2.1510496 -0.8443010 0.0031213 -0.8392348 -1.6458961 36 O -1.1088783 0.1247448 -0.1277739 0.1066301 -2.1510496 0.8443010 0.0031213 0.8392348 -1.6458961 37 O -1.8108344 -0.4442681 -0.8634380 -0.3802152 -1.1214880 -0.3939882 -0.7811123 -0.4449466 -1.9481645 38 O -1.8108344 0.4442681 -0.8634380 0.3802152 -1.1214880 0.3939882 -0.7811123 0.4449466 -1.9481645 39 O -1.8108344 -0.4442681 -0.8634380 -0.3802152 -1.1214880 -0.3939882 -0.7811123 -0.4449466 -1.9481645 40 O -1.8108344 0.4442681 -0.8634380 0.3802152 -1.1214880 0.3939882 -0.7811123 0.4449466 -1.9481645 41 O -1.8859445 0.9027384 -0.3361551 1.0732166 -2.1879577 0.3537161 -0.1719744 0.1335072 -1.0999796 42 O -1.8859445 -0.9027384 -0.3361551 -1.0732166 -2.1879577 -0.3537161 -0.1719744 -0.1335072 -1.0999796 43 O -1.8859445 0.9027384 -0.3361551 1.0732166 -2.1879577 0.3537161 -0.1719744 0.1335072 -1.0999796 44 O -1.8859445 -0.9027384 -0.3361551 -1.0732166 -2.1879577 -0.3537161 -0.1719744 -0.1335072 -1.0999796 45 O -1.7893129 -0.2440122 -0.0353896 -0.2328259 -1.3922460 0.1396208 -0.2002823 0.0690747 -1.9056101 46 O -1.7893129 0.2440122 -0.0353896 0.2328259 -1.3922460 -0.1396208 -0.2002823 -0.0690747 -1.9056101 47 O -1.7893129 -0.2440122 -0.0353896 -0.2328259 -1.3922460 0.1396208 -0.2002823 0.0690747 -1.9056101 48 O -1.7893129 0.2440122 -0.0353896 0.2328259 -1.3922460 -0.1396208 -0.2002823 -0.0690747 -1.9056101 49 O -1.6585212 -0.1928692 0.0268164 -0.2105914 -1.2565602 -0.0085318 0.0083541 0.0475667 -1.9673627 50 O -1.6585212 0.1928692 0.0268164 0.2105914 -1.2565602 0.0085318 0.0083541 -0.0475667 -1.9673627 51 O -1.6585212 -0.1928692 0.0268164 -0.2105914 -1.2565602 -0.0085318 0.0083541 0.0475667 -1.9673627 52 O -1.6585212 0.1928692 0.0268164 0.2105914 -1.2565602 0.0085318 0.0083541 -0.0475667 -1.9673627 53 O -2.4463608 -0.7577586 0.0728366 -0.6779884 -1.3034429 0.0765714 0.0695527 0.0045318 -1.3484374 54 O -2.4463608 0.7577586 0.0728366 0.6779884 -1.3034429 -0.0765714 0.0695527 -0.0045318 -1.3484374 55 O -2.4463608 -0.7577586 0.0728366 -0.6779884 -1.3034429 0.0765714 0.0695527 0.0045318 -1.3484374 56 O -2.4463608 0.7577586 0.0728366 0.6779884 -1.3034429 -0.0765714 0.0695527 -0.0045318 -1.3484374 57 O -2.2704584 1.0212135 -0.1967176 1.0666115 -1.8421810 0.0942649 -0.1880401 0.1313906 -1.0057095 58 O -2.2704584 -1.0212135 -0.1967176 -1.0666115 -1.8421810 -0.0942649 -0.1880401 -0.1313906 -1.0057095 59 O -2.2704584 1.0212135 -0.1967176 1.0666115 -1.8421810 0.0942649 -0.1880401 0.1313906 -1.0057095 60 O -2.2704584 -1.0212135 -0.1967176 -1.0666115 -1.8421810 -0.0942649 -0.1880401 -0.1313906 -1.0057095 61 O -1.3096148 0.6802078 0.0772672 0.6020942 -2.6036559 -0.2790272 0.0624966 -0.3035129 -1.4500457 62 O -1.3096148 -0.6802078 0.0772672 -0.6020942 -2.6036559 0.2790272 0.0624966 0.3035129 -1.4500457 63 O -1.3096148 0.6802078 0.0772672 0.6020942 -2.6036559 -0.2790272 0.0624966 -0.3035129 -1.4500457 64 O -1.3096148 -0.6802078 0.0772672 -0.6020942 -2.6036559 0.2790272 0.0624966 0.3035129 -1.4500457 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 9 5 6 ] 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: 0.47, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.624 ( 0.000 0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.234 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 6.721 ( 0.000 0.000 0.000) 0.000 6.764 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.900 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.336 ( 0.000 0.000 0.000) 0.000 9.237 ( 0.000 0.000 0.000) 0.000 9.336 ( 0.000 0.000 0.000) 0.000 9.354 ( 0.000 0.000 0.000) 0.000 9.481 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 9.745 ( 0.000 0.000 0.000) 0.000 9.805 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.713 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 10.912 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 0.000) 0.000 11.080 ( 0.000 0.000 0.000) 0.000 11.277 ( 0.000 0.000 0.000) 0.000 11.743 ( 0.000 0.000 0.000) 0.000 12.032 ( 0.000 0.000 0.000) 0.000 12.087 ( 0.000 0.000 0.000) 0.000 12.208 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 12.361 ( 0.000 0.000 0.000) 0.000 12.381 ( 0.000 0.000 0.000) 0.000 12.638 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 12.812 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 13.108 ( 0.000 0.000 0.000) 0.000 13.120 ( 0.000 0.000 0.000) 0.000 13.230 ( 0.000 0.000 0.000) 0.000 13.534 ( 0.000 0.000 0.000) 0.000 13.586 ( 0.000 0.000 0.000) 0.000 13.689 ( 0.000 0.000 0.000) 0.000 13.699 ( 0.000 0.000 0.000) 0.000 13.763 ( 0.000 0.000 0.000) 0.000 13.846 ( 0.000 0.000 0.000) 0.000 13.850 ( 0.000 0.000 0.000) 0.000 13.896 ( 0.000 0.000 0.000) 0.000 17.067 ( 0.000 0.000 0.000) 0.000 17.096 ( 0.000 0.000 0.000) 0.000 17.215 ( 0.000 0.000 0.000) 0.000 17.240 ( 0.000 0.000 0.000) 0.000 17.274 ( 0.000 0.000 0.000) 0.000 17.289 ( 0.000 0.000 0.000) 0.000 17.297 ( 0.000 0.000 0.000) 0.000 17.418 ( 0.000 0.000 0.000) 0.000 17.466 ( 0.000 0.000 0.000) 0.000 17.468 ( 0.000 0.000 0.000) 0.000 17.654 ( 0.000 0.000 0.000) 0.000 17.665 ( 0.000 0.000 0.000) 0.000 17.744 ( 0.000 0.000 0.000) 0.000 17.783 ( 0.000 0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 17.891 ( 0.000 0.000 0.000) 0.000 18.255 ( 0.000 0.000 0.000) 0.000 18.326 ( 0.000 0.000 0.000) 0.000 18.470 ( 0.000 0.000 0.000) 0.000 18.520 ( 0.000 0.000 0.000) 0.000 18.531 ( 0.000 0.000 0.000) 0.000 18.536 ( 0.000 0.000 0.000) 0.000 18.867 ( 0.000 0.000 0.000) 0.000 18.892 ( 0.000 0.000 0.000) 0.000 20.158 ( 0.000 0.000 0.000) 0.000 20.236 ( 0.000 0.000 0.000) 0.000 20.359 ( 0.000 0.000 0.000) 0.000 20.605 ( 0.000 0.000 0.000) 0.000 21.469 ( 0.000 0.000 0.000) 0.000 21.677 ( 0.000 0.000 0.000) 0.000 21.863 ( 0.000 0.000 0.000) 0.000 21.874 ( 0.000 0.000 0.000) 0.000 22.066 ( 0.000 0.000 0.000) 0.000 22.215 ( 0.000 0.000 0.000) 0.000 22.383 ( 0.000 0.000 0.000) 0.000 23.070 ( 0.000 0.000 0.000) 0.000 25.057 ( 0.000 0.000 0.000) 0.000 25.191 ( 0.000 0.000 0.000) 0.000 25.551 ( 0.000 0.000 0.000) 0.000 25.801 ( 0.000 0.000 0.000) 0.000 29.104 ( 0.000 0.000 0.000) 0.000 29.122 ( 0.000 0.000 0.000) 0.000 29.160 ( 0.000 0.000 0.000) 0.000 29.233 ( 0.000 0.000 0.000) 0.000 29.499 ( 0.000 0.000 0.000) 0.000 29.538 ( 0.000 0.000 0.000) 0.000 29.559 ( 0.000 0.000 0.000) 0.000 29.648 ( 0.000 0.000 0.000) 0.000 30.972 ( 0.000 0.000 0.000) 0.000 30.982 ( 0.000 0.000 0.000) 0.000 31.267 ( 0.000 0.000 0.000) 0.000 31.404 ( 0.000 0.000 0.000) 0.000 31.585 ( 0.000 0.000 0.000) 0.000 31.686 ( 0.000 0.000 0.000) 0.000 31.711 ( 0.000 0.000 0.000) 0.000 31.928 ( 0.000 0.000 0.000) 0.000 32.055 ( 0.000 0.000 0.000) 0.000 32.225 ( 0.000 0.000 0.000) 0.000 32.274 ( 0.000 0.000 0.000) 0.000 32.565 ( 0.000 0.000 0.000) 0.000 32.847 ( 0.000 0.000 0.000) 0.000 32.933 ( 0.000 0.000 0.000) 0.000 33.009 ( 0.000 0.000 0.000) 0.000 33.181 ( 0.000 0.000 0.000) 0.000 33.298 ( 0.000 0.000 0.000) 0.000 33.900 ( 0.000 0.000 0.000) 0.000 34.196 ( 0.000 0.000 0.000) 0.000 34.350 ( 0.000 0.000 0.000) 0.000 34.417 ( 0.000 0.000 0.000) 0.000 34.807 ( 0.000 0.000 0.000) 0.000 34.852 ( 0.000 0.000 0.000) 0.000 35.659 ( 0.000 0.000 0.000) 0.000 106.340 ( 0.000 0.000 0.000) 0.000 106.363 ( 0.000 0.000 0.000) 0.000 106.367 ( 0.000 0.000 0.000) 0.000 106.395 ( 0.000 0.000 0.000) 0.000 108.361 ( 0.000 0.000 0.000) 0.000 108.418 ( 0.000 0.000 0.000) 0.000 108.420 ( 0.000 0.000 0.000) 0.000 108.516 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 25.053 0.000 15.969) 29.710 0.666 ( 30.260 0.000 18.224) 35.324 1.041 ( 43.818 0.000 30.339) 53.296 1.871 ( 0.705 0.000 2.480) 2.579 2.152 ( 3.806 0.000 5.580) 6.755 2.605 ( -1.710 0.000 4.333) 4.658 2.630 ( -0.268 0.000 3.252) 3.263 2.680 ( 1.459 0.000 10.557) 10.657 2.816 ( 1.015 0.000 4.889) 4.993 2.896 ( -3.060 0.000 -0.619) 3.122 2.914 ( -6.082 0.000 6.993) 9.268 2.990 ( -7.678 0.000 6.088) 9.799 3.228 ( 5.603 0.000 -7.890) 9.677 3.251 ( 7.349 0.000 -0.062) 7.349 3.265 ( -12.357 0.000 -1.537) 12.453 3.351 ( -8.696 0.000 0.763) 8.730 3.498 ( -6.956 0.000 -8.032) 10.626 3.549 ( 4.878 0.000 -4.351) 6.536 3.625 ( 4.507 0.000 3.496) 5.703 3.720 ( -3.075 0.000 1.430) 3.391 3.848 ( -2.548 0.000 -4.903) 5.526 3.973 ( 3.607 0.000 7.543) 8.361 4.024 ( -7.076 0.000 5.736) 9.109 4.129 ( 4.192 0.000 1.426) 4.428 4.164 ( 5.886 0.000 3.340) 6.768 4.300 ( 0.543 0.000 -2.019) 2.091 4.312 ( -6.827 0.000 4.511) 8.183 4.373 ( -5.203 0.000 4.192) 6.682 4.435 ( 4.892 0.000 8.173) 9.525 4.464 ( -0.958 0.000 5.450) 5.533 4.640 ( -1.364 0.000 3.013) 3.307 4.756 ( -4.500 0.000 -0.715) 4.557 4.767 ( 17.607 0.000 -0.529) 17.615 4.905 ( -1.060 0.000 -4.385) 4.512 4.910 ( -1.992 0.000 -0.040) 1.992 5.034 ( 1.218 0.000 -2.184) 2.501 5.195 ( -3.535 0.000 8.773) 9.458 5.234 ( -4.291 0.000 0.217) 4.296 5.305 ( 1.280 0.000 -2.529) 2.834 5.368 ( 4.298 0.000 -5.671) 7.116 5.426 ( -0.739 0.000 0.458) 0.869 5.492 ( -5.386 0.000 -6.651) 8.558 5.634 ( 2.339 0.000 0.312) 2.360 5.719 ( 1.585 0.000 1.743) 2.356 5.815 ( -0.555 0.000 2.536) 2.596 5.825 ( -5.897 0.000 -4.603) 7.481 5.911 ( -4.716 0.000 3.036) 5.609 6.095 ( 5.682 0.000 -1.803) 5.962 6.156 ( -2.616 0.000 -7.551) 7.991 6.163 ( -4.597 0.000 -2.147) 5.073 6.265 ( -12.298 0.000 -10.635) 16.259 6.315 ( 7.484 0.000 -8.706) 11.480 6.393 ( -4.700 0.000 -5.346) 7.118 6.471 ( 4.088 0.000 -0.765) 4.159 6.540 ( -0.160 0.000 1.040) 1.053 6.659 ( -4.398 0.000 6.203) 7.604 6.686 ( -2.612 0.000 -0.119) 2.614 6.751 ( 7.699 0.000 -4.427) 8.881 6.789 ( -3.080 0.000 -1.558) 3.451 6.843 ( -0.502 0.000 1.317) 1.409 6.898 ( 0.012 0.000 -7.439) 7.439 6.919 ( 3.308 0.000 -1.791) 3.762 7.001 ( 1.292 0.000 -0.815) 1.527 7.345 ( 23.707 0.000 -16.439) 28.849 7.393 ( -19.826 0.000 12.532) 23.455 7.603 ( 0.457 0.000 -2.298) 2.343 7.703 ( 0.091 0.000 -2.891) 2.892 7.870 ( -0.802 0.000 -4.403) 4.476 7.888 ( 2.316 0.000 -5.650) 6.107 8.022 ( -1.724 0.000 2.345) 2.910 8.061 ( 7.492 0.000 -2.825) 8.007 8.337 ( 3.056 0.000 -3.988) 5.025 9.222 ( -0.368 0.000 -1.365) 1.414 9.333 ( 0.719 0.000 -0.215) 0.751 9.402 ( 1.690 0.000 3.572) 3.952 9.611 ( -0.311 0.000 5.442) 5.451 9.624 ( 2.405 0.000 4.775) 5.347 9.687 ( 0.672 0.000 2.329) 2.424 9.746 ( -0.399 0.000 0.715) 0.818 10.100 ( 1.559 0.000 -1.362) 2.070 10.256 ( -30.001 0.000 30.883) 43.056 10.364 ( 0.535 0.000 2.253) 2.316 10.477 ( -0.157 0.000 -0.838) 0.853 10.670 ( -4.024 0.000 -1.787) 4.403 10.877 ( 0.122 0.000 -4.850) 4.852 10.938 ( 1.109 0.000 -4.757) 4.885 11.066 ( -2.551 0.000 0.407) 2.583 11.347 ( 2.092 0.000 6.342) 6.678 11.501 ( -0.702 0.000 -6.555) 6.593 11.742 ( 8.930 0.000 -18.402) 20.454 12.048 ( 1.092 0.000 1.389) 1.767 12.120 ( 0.977 0.000 3.600) 3.730 12.239 ( 4.122 0.000 0.351) 4.137 12.246 ( -2.111 0.000 5.710) 6.087 12.354 ( -1.906 0.000 1.718) 2.566 12.432 ( 2.605 0.000 -2.032) 3.304 12.655 ( 0.039 0.000 2.291) 2.292 12.792 ( 3.313 0.000 -2.535) 4.172 12.812 ( -1.161 0.000 1.116) 1.610 12.891 ( 1.850 0.000 -1.490) 2.376 13.003 ( 1.116 0.000 1.081) 1.554 13.085 ( -1.804 0.000 -0.505) 1.873 13.132 ( -0.099 0.000 0.940) 0.946 13.234 ( -0.332 0.000 0.612) 0.696 13.509 ( -3.137 0.000 0.011) 3.137 13.556 ( -2.610 0.000 -3.085) 4.041 13.617 ( -5.897 0.000 -2.861) 6.554 13.674 ( -1.590 0.000 -0.544) 1.680 13.767 ( 2.958 0.000 -2.113) 3.635 13.852 ( 0.669 0.000 -0.396) 0.777 13.916 ( 3.030 0.000 -1.848) 3.549 13.923 ( 5.978 0.000 1.162) 6.090 17.086 ( -5.943 0.000 0.939) 6.017 17.088 ( -0.578 0.000 -0.386) 0.695 17.196 ( -0.549 0.000 -1.895) 1.973 17.248 ( 0.145 0.000 -0.589) 0.606 17.282 ( 0.213 0.000 0.677) 0.710 17.299 ( 0.687 0.000 -0.717) 0.993 17.350 ( 2.215 0.000 2.662) 3.463 17.450 ( -1.427 0.000 -0.646) 1.566 17.514 ( 9.254 0.000 3.713) 9.971 17.659 ( 0.599 0.000 -1.602) 1.711 17.667 ( 1.393 0.000 -0.226) 1.411 17.727 ( 2.273 0.000 -2.253) 3.201 17.754 ( 1.909 0.000 -0.868) 2.097 17.861 ( -1.419 0.000 -1.321) 1.939 17.882 ( -0.991 0.000 -0.479) 1.101 17.948 ( 5.165 0.000 -5.059) 7.229 18.257 ( -3.026 0.000 3.074) 4.313 18.331 ( 0.542 0.000 0.086) 0.549 18.472 ( -1.144 0.000 1.483) 1.873 18.485 ( -0.556 0.000 -2.037) 2.112 18.540 ( -0.705 0.000 0.032) 0.706 18.554 ( 1.020 0.000 -0.174) 1.035 18.860 ( -1.152 0.000 0.849) 1.431 18.907 ( 1.188 0.000 0.361) 1.241 20.219 ( -2.317 0.000 0.108) 2.320 20.403 ( 1.490 0.000 5.103) 5.316 20.568 ( -3.306 0.000 -1.826) 3.777 20.869 ( -0.851 0.000 1.579) 1.794 21.484 ( 0.693 0.000 1.378) 1.542 21.698 ( 1.586 0.000 1.458) 2.154 21.883 ( -4.986 0.000 4.788) 6.913 21.895 ( 0.361 0.000 2.803) 2.826 22.219 ( -0.073 0.000 0.582) 0.587 22.364 ( -0.888 0.000 -1.926) 2.121 22.472 ( 16.899 0.000 -17.686) 24.462 23.011 ( -4.015 0.000 -4.602) 6.107 25.073 ( 1.104 0.000 1.287) 1.696 25.335 ( -15.856 0.000 18.070) 24.041 25.539 ( -0.872 0.000 -0.842) 1.212 25.784 ( -2.774 0.000 0.512) 2.821 29.127 ( 0.512 0.000 0.204) 0.552 29.152 ( 2.437 0.000 -2.925) 3.807 29.187 ( 4.900 0.000 -2.833) 5.660 29.237 ( 0.984 0.000 -0.332) 1.038 29.503 ( 0.017 0.000 0.615) 0.615 29.531 ( -2.357 0.000 1.038) 2.575 29.562 ( -0.130 0.000 0.661) 0.673 29.637 ( -1.381 0.000 -0.137) 1.388 30.943 ( -1.669 0.000 0.328) 1.701 31.038 ( 3.428 0.000 2.147) 4.045 31.229 ( -1.628 0.000 -4.490) 4.776 31.407 ( 1.365 0.000 -1.442) 1.986 31.613 ( 4.587 0.000 -1.478) 4.819 31.742 ( 3.064 0.000 4.912) 5.790 31.768 ( 4.409 0.000 -6.169) 7.583 31.993 ( 3.094 0.000 6.501) 7.200 32.059 ( -2.262 0.000 3.118) 3.852 32.209 ( 0.175 0.000 -1.333) 1.344 32.313 ( 2.773 0.000 0.853) 2.901 32.772 ( -13.544 0.000 6.329) 14.950 32.861 ( -0.910 0.000 -0.169) 0.926 32.916 ( -0.034 0.000 0.082) 0.089 33.080 ( 6.691 0.000 0.975) 6.761 33.184 ( 1.865 0.000 -0.738) 2.006 33.437 ( -5.085 0.000 6.083) 7.928 34.042 ( 5.955 0.000 6.342) 8.700 34.352 ( -15.277 0.000 -5.010) 16.078 34.405 ( -1.364 0.000 9.295) 9.395 34.476 ( -6.458 0.000 -9.255) 11.286 35.069 ( 3.407 0.000 6.981) 7.768 35.627 ( 3.648 0.000 -8.438) 9.193 36.159 ( 23.180 0.000 -32.850) 40.205 106.334 ( -0.508 0.000 -0.335) 0.608 106.361 ( -0.120 0.000 -0.187) 0.222 106.382 ( 1.221 0.000 -1.860) 2.225 106.397 ( -0.049 0.000 0.208) 0.213 108.367 ( 0.488 0.000 0.313) 0.580 108.423 ( 0.124 0.000 0.339) 0.361 108.482 ( 1.187 0.000 -1.397) 1.833 108.509 ( -0.293 0.000 -0.778) 0.832 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 22.395 0.000 14.803) 26.846 1.307 ( 28.601 0.000 16.908) 33.225 1.949 ( 34.202 0.000 21.544) 40.422 1.975 ( 6.053 0.000 6.893) 9.173 2.288 ( 3.638 0.000 4.714) 5.955 2.614 ( -2.493 0.000 3.389) 4.207 2.673 ( -2.233 0.000 2.409) 3.284 2.779 ( -0.529 0.000 -7.022) 7.042 2.854 ( 1.193 0.000 6.960) 7.062 2.885 ( -1.929 0.000 5.332) 5.670 3.000 ( -0.929 0.000 9.181) 9.228 3.007 ( -4.258 0.000 10.088) 10.950 3.069 ( -7.504 0.000 3.391) 8.235 3.180 ( 0.145 0.000 0.284) 0.319 3.224 ( -14.892 0.000 5.221) 15.781 3.388 ( -6.083 0.000 4.366) 7.488 3.405 ( 7.874 0.000 7.746) 11.045 3.536 ( -0.418 0.000 -1.295) 1.361 3.607 ( -10.226 0.000 -1.237) 10.301 3.730 ( -3.230 0.000 -8.410) 9.009 3.872 ( 11.560 0.000 3.197) 11.994 3.925 ( -4.482 0.000 -4.719) 6.508 4.123 ( 4.599 0.000 6.569) 8.018 4.199 ( -7.311 0.000 -2.531) 7.737 4.235 ( 0.392 0.000 5.396) 5.410 4.250 ( -0.281 0.000 3.771) 3.782 4.265 ( 11.277 0.000 -4.896) 12.294 4.357 ( -2.014 0.000 3.081) 3.681 4.621 ( -5.590 0.000 -1.550) 5.800 4.649 ( 3.303 0.000 9.237) 9.810 4.669 ( -2.143 0.000 12.065) 12.253 4.703 ( 3.284 0.000 8.506) 9.118 4.831 ( 1.886 0.000 -7.497) 7.730 4.854 ( -2.197 0.000 -3.415) 4.061 4.973 ( 10.035 0.000 -3.159) 10.521 5.049 ( 3.504 0.000 -0.369) 3.523 5.142 ( -0.973 0.000 -3.978) 4.095 5.243 ( 4.005 0.000 -3.832) 5.543 5.283 ( 0.072 0.000 -3.594) 3.594 5.345 ( -1.888 0.000 -7.445) 7.680 5.361 ( 5.021 0.000 -5.769) 7.648 5.402 ( -1.938 0.000 -1.192) 2.275 5.622 ( -4.721 0.000 -2.958) 5.571 5.725 ( 1.186 0.000 -0.822) 1.443 5.727 ( -3.316 0.000 0.714) 3.392 5.828 ( -4.220 0.000 3.339) 5.381 5.839 ( -6.384 0.000 -1.303) 6.516 5.928 ( -10.715 0.000 -10.586) 15.062 6.044 ( -0.825 0.000 -6.598) 6.649 6.072 ( 0.581 0.000 -6.097) 6.124 6.188 ( 2.290 0.000 3.303) 4.019 6.205 ( -8.402 0.000 -8.150) 11.706 6.339 ( 5.176 0.000 -1.543) 5.401 6.477 ( 0.685 0.000 -1.781) 1.908 6.524 ( -2.845 0.000 0.944) 2.997 6.619 ( -4.474 0.000 -2.578) 5.164 6.666 ( -1.244 0.000 0.453) 1.324 6.727 ( -0.623 0.000 -4.721) 4.762 6.736 ( -3.035 0.000 -5.666) 6.428 6.823 ( -1.400 0.000 -1.217) 1.855 6.876 ( 3.052 0.000 3.505) 4.647 6.910 ( -0.352 0.000 -1.663) 1.700 7.042 ( 3.739 0.000 0.862) 3.837 7.293 ( -10.785 0.000 6.877) 12.791 7.437 ( 11.234 0.000 -8.677) 14.195 7.558 ( 0.205 0.000 -4.928) 4.933 7.646 ( -0.725 0.000 -5.151) 5.202 7.764 ( -5.236 0.000 -5.049) 7.273 7.870 ( 2.256 0.000 -2.374) 3.275 8.045 ( 0.716 0.000 1.507) 1.668 8.126 ( 5.188 0.000 -0.708) 5.236 8.301 ( 1.877 0.000 -7.116) 7.360 9.204 ( 0.328 0.000 -1.088) 1.136 9.350 ( 1.405 0.000 0.387) 1.458 9.463 ( 1.552 0.000 1.937) 2.482 9.674 ( 1.871 0.000 1.192) 2.218 9.720 ( 2.856 0.000 3.342) 4.396 9.761 ( -0.656 0.000 3.599) 3.658 9.801 ( 4.185 0.000 10.111) 10.943 10.104 ( -0.068 0.000 0.120) 0.138 10.223 ( -11.297 0.000 9.308) 14.638 10.395 ( -0.986 0.000 1.741) 2.001 10.453 ( 0.459 0.000 -3.435) 3.466 10.579 ( -4.736 0.000 -1.364) 4.929 10.812 ( 3.177 0.000 -7.737) 8.363 10.894 ( -1.083 0.000 -2.613) 2.828 11.003 ( -3.905 0.000 -4.197) 5.732 11.358 ( -8.492 0.000 -3.006) 9.008 11.452 ( 2.428 0.000 4.232) 4.879 11.647 ( 3.380 0.000 -8.957) 9.573 12.101 ( 2.217 0.000 3.389) 4.050 12.194 ( 1.177 0.000 4.956) 5.094 12.294 ( -1.786 0.000 5.659) 5.934 12.327 ( 4.940 0.000 2.808) 5.683 12.367 ( -0.344 0.000 3.051) 3.071 12.451 ( 1.635 0.000 0.335) 1.669 12.685 ( -0.463 0.000 2.259) 2.306 12.805 ( -1.931 0.000 1.266) 2.309 12.819 ( 3.801 0.000 -0.792) 3.883 12.902 ( 0.970 0.000 -0.276) 1.009 13.048 ( 2.241 0.000 2.114) 3.081 13.054 ( -1.044 0.000 -0.744) 1.282 13.138 ( -0.345 0.000 0.427) 0.549 13.235 ( -0.376 0.000 0.101) 0.389 13.461 ( -3.228 0.000 -0.047) 3.228 13.463 ( -4.221 0.000 -3.157) 5.271 13.501 ( -4.917 0.000 -2.816) 5.666 13.638 ( -2.396 0.000 -0.339) 2.420 13.780 ( 3.345 0.000 -3.085) 4.550 13.855 ( 1.181 0.000 -1.476) 1.890 13.930 ( 2.988 0.000 -2.685) 4.017 14.004 ( 4.538 0.000 -0.311) 4.549 17.045 ( -1.631 0.000 0.878) 1.852 17.079 ( -0.209 0.000 0.238) 0.317 17.161 ( -0.583 0.000 -2.100) 2.179 17.238 ( -0.026 0.000 -1.075) 1.076 17.292 ( 0.126 0.000 0.608) 0.621 17.296 ( 0.902 0.000 -1.540) 1.785 17.408 ( 1.678 0.000 2.436) 2.958 17.413 ( -2.374 0.000 -0.900) 2.539 17.634 ( 0.533 0.000 -3.980) 4.016 17.656 ( -0.782 0.000 -3.268) 3.360 17.657 ( 5.514 0.000 -1.545) 5.726 17.761 ( 1.147 0.000 1.494) 1.884 17.791 ( 5.346 0.000 2.893) 6.079 17.825 ( -1.236 0.000 -0.456) 1.318 17.857 ( -1.278 0.000 -0.411) 1.342 17.958 ( 2.271 0.000 -1.440) 2.689 18.260 ( -0.420 0.000 1.349) 1.413 18.341 ( 0.844 0.000 -0.065) 0.847 18.463 ( 0.647 0.000 -1.381) 1.525 18.474 ( -1.991 0.000 2.163) 2.940 18.525 ( 0.558 0.000 -2.110) 2.183 18.551 ( 0.393 0.000 -1.387) 1.442 18.863 ( -0.582 0.000 1.501) 1.610 18.923 ( 0.349 0.000 0.221) 0.413 20.183 ( -2.684 0.000 0.174) 2.690 20.476 ( -5.173 0.000 -2.718) 5.844 20.522 ( 2.680 0.000 8.214) 8.640 20.881 ( -0.685 0.000 1.863) 1.986 21.518 ( 0.966 0.000 1.783) 2.028 21.759 ( 3.079 0.000 2.844) 4.192 21.872 ( -2.131 0.000 1.408) 2.554 21.954 ( 0.619 0.000 5.363) 5.398 22.225 ( -0.356 0.000 0.649) 0.740 22.310 ( -1.827 0.000 -3.457) 3.910 22.486 ( 7.536 0.000 -6.810) 10.157 22.848 ( -6.785 0.000 -8.526) 10.897 25.118 ( 2.104 0.000 2.046) 2.935 25.345 ( -7.181 0.000 8.516) 11.139 25.511 ( -0.922 0.000 -1.203) 1.515 25.737 ( -4.953 0.000 0.643) 4.994 29.142 ( 1.056 0.000 0.386) 1.124 29.152 ( 1.640 0.000 -1.498) 2.221 29.225 ( 4.118 0.000 -1.137) 4.272 29.252 ( 1.757 0.000 -0.349) 1.792 29.504 ( -2.700 0.000 0.554) 2.757 29.513 ( -0.181 0.000 0.986) 1.002 29.572 ( -0.034 0.000 1.031) 1.031 29.606 ( -2.566 0.000 -0.245) 2.578 30.941 ( -0.346 0.000 1.590) 1.628 31.138 ( 5.169 0.000 4.543) 6.882 31.144 ( -3.285 0.000 -2.811) 4.324 31.403 ( 0.023 0.000 -0.606) 0.606 31.658 ( 6.111 0.000 -3.622) 7.104 31.746 ( -1.404 0.000 -0.274) 1.430 31.877 ( 4.574 0.000 6.650) 8.072 32.072 ( -3.169 0.000 4.819) 5.768 32.161 ( 4.783 0.000 8.091) 9.399 32.200 ( -0.001 0.000 0.688) 0.688 32.353 ( 2.358 0.000 0.591) 2.431 32.659 ( -8.358 0.000 0.864) 8.402 32.846 ( 1.577 0.000 -2.220) 2.724 32.953 ( 4.834 0.000 -0.107) 4.835 33.192 ( 7.036 0.000 0.823) 7.084 33.209 ( 3.285 0.000 -1.916) 3.803 33.401 ( -5.321 0.000 0.588) 5.353 33.888 ( -23.979 0.000 -13.543) 27.539 34.275 ( 15.173 0.000 4.729) 15.893 34.434 ( 1.800 0.000 -0.311) 1.827 34.532 ( -1.428 0.000 13.265) 13.342 35.097 ( -9.173 0.000 4.258) 10.114 35.561 ( 8.201 0.000 -14.650) 16.790 36.019 ( 5.759 0.000 -20.114) 20.922 106.319 ( -0.701 0.000 -0.468) 0.843 106.356 ( -0.173 0.000 -0.305) 0.351 106.373 ( -0.159 0.000 -0.571) 0.593 106.399 ( -0.110 0.000 0.279) 0.300 108.381 ( 0.776 0.000 0.470) 0.907 108.431 ( 0.083 0.000 0.560) 0.566 108.481 ( 0.980 0.000 -1.106) 1.478 108.490 ( -0.499 0.000 -1.223) 1.321 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 19.476 0.000 13.763) 23.848 1.887 ( 24.951 0.000 13.880) 28.552 2.164 ( 3.630 0.000 7.719) 8.530 2.364 ( 14.910 0.000 -7.734) 16.796 2.374 ( 7.415 0.000 -0.637) 7.443 2.632 ( -0.666 0.000 -1.249) 1.416 2.638 ( -9.803 0.000 3.603) 10.445 2.711 ( 1.648 0.000 -4.213) 4.524 2.829 ( -1.243 0.000 -5.105) 5.254 2.979 ( -6.250 0.000 6.823) 9.253 3.038 ( -0.351 0.000 15.030) 15.035 3.076 ( -8.795 0.000 4.820) 10.029 3.165 ( 4.516 0.000 12.020) 12.840 3.253 ( -1.996 0.000 12.588) 12.745 3.255 ( 0.154 0.000 14.706) 14.707 3.326 ( -14.037 0.000 -0.986) 14.071 3.469 ( -12.771 0.000 -8.339) 15.253 3.540 ( -1.971 0.000 13.160) 13.307 3.563 ( 5.362 0.000 1.148) 5.484 3.656 ( 6.754 0.000 13.145) 14.779 3.847 ( 4.858 0.000 -8.202) 9.532 3.948 ( 2.034 0.000 -5.094) 5.485 4.096 ( -5.085 0.000 0.624) 5.123 4.194 ( 0.267 0.000 2.286) 2.302 4.283 ( -1.269 0.000 -3.644) 3.859 4.338 ( -5.283 0.000 7.534) 9.202 4.351 ( 3.779 0.000 -10.097) 10.781 4.404 ( 8.247 0.000 8.249) 11.665 4.567 ( -2.857 0.000 5.066) 5.816 4.689 ( 0.090 0.000 -5.622) 5.623 4.725 ( -0.743 0.000 5.443) 5.493 4.776 ( 1.614 0.000 -7.234) 7.412 4.788 ( 8.531 0.000 -8.216) 11.844 4.922 ( -4.954 0.000 0.198) 4.958 4.934 ( 0.694 0.000 12.235) 12.255 5.091 ( -0.082 0.000 2.008) 2.009 5.187 ( 9.306 0.000 -8.946) 12.908 5.207 ( 4.325 0.000 -8.758) 9.768 5.252 ( 3.763 0.000 -2.914) 4.759 5.278 ( 2.148 0.000 -0.618) 2.235 5.322 ( 0.764 0.000 -3.818) 3.893 5.373 ( 2.838 0.000 -5.148) 5.878 5.537 ( -4.695 0.000 1.144) 4.833 5.630 ( -9.779 0.000 -0.211) 9.781 5.675 ( -6.267 0.000 -3.266) 7.067 5.696 ( -3.726 0.000 -5.264) 6.449 5.768 ( -0.161 0.000 -0.177) 0.239 5.838 ( -2.608 0.000 0.993) 2.791 5.978 ( -0.973 0.000 -7.301) 7.365 5.990 ( -3.490 0.000 -2.166) 4.107 6.016 ( -1.899 0.000 -3.799) 4.247 6.238 ( -1.194 0.000 1.079) 1.609 6.332 ( -2.952 0.000 -1.674) 3.394 6.446 ( -9.580 0.000 -7.725) 12.307 6.500 ( 0.904 0.000 -1.981) 2.178 6.505 ( -0.396 0.000 -3.603) 3.625 6.618 ( 2.966 0.000 0.004) 2.966 6.687 ( 2.501 0.000 -2.297) 3.396 6.711 ( 0.347 0.000 3.545) 3.562 6.761 ( -3.885 0.000 -1.607) 4.205 6.929 ( 3.380 0.000 1.812) 3.835 6.968 ( 2.164 0.000 3.462) 4.082 7.111 ( 3.789 0.000 1.490) 4.071 7.270 ( -6.562 0.000 7.810) 10.201 7.440 ( 5.988 0.000 -8.823) 10.663 7.495 ( 0.440 0.000 -5.225) 5.244 7.557 ( -1.540 0.000 -6.059) 6.251 7.605 ( -8.250 0.000 -4.343) 9.323 7.877 ( 0.585 0.000 0.052) 0.588 8.066 ( 0.392 0.000 0.514) 0.647 8.187 ( 4.387 0.000 -0.640) 4.433 8.220 ( 0.422 0.000 -7.217) 7.229 9.205 ( 0.834 0.000 -0.209) 0.860 9.377 ( 1.535 0.000 0.349) 1.574 9.497 ( 1.071 0.000 0.640) 1.248 9.681 ( 0.606 0.000 -1.894) 1.988 9.823 ( 4.037 0.000 5.281) 6.648 9.825 ( 0.435 0.000 5.826) 5.843 9.982 ( 3.275 0.000 7.626) 8.299 10.094 ( -3.171 0.000 1.808) 3.650 10.185 ( -3.880 0.000 1.658) 4.220 10.356 ( -2.375 0.000 -3.139) 3.936 10.394 ( 0.738 0.000 -7.244) 7.282 10.541 ( -2.578 0.000 3.028) 3.977 10.778 ( 2.969 0.000 -4.431) 5.334 10.841 ( -0.750 0.000 -3.340) 3.424 10.860 ( -3.548 0.000 -7.391) 8.198 11.246 ( -6.433 0.000 1.779) 6.675 11.518 ( 1.514 0.000 2.058) 2.555 11.603 ( 0.829 0.000 -2.718) 2.842 12.196 ( 3.414 0.000 4.845) 5.927 12.263 ( 0.551 0.000 3.538) 3.580 12.330 ( -1.938 0.000 3.706) 4.182 12.421 ( 0.909 0.000 4.170) 4.268 12.425 ( 3.869 0.000 1.819) 4.275 12.483 ( 1.549 0.000 0.946) 1.815 12.697 ( -0.461 0.000 0.706) 0.843 12.803 ( -0.122 0.000 1.146) 1.153 12.874 ( 3.525 0.000 0.840) 3.624 12.890 ( -3.980 0.000 1.688) 4.323 13.051 ( 1.808 0.000 -0.721) 1.946 13.110 ( 2.454 0.000 1.471) 2.861 13.128 ( -0.333 0.000 -1.436) 1.474 13.223 ( -0.579 0.000 -0.647) 0.868 13.374 ( -3.534 0.000 -1.749) 3.943 13.411 ( -3.258 0.000 -1.104) 3.440 13.431 ( -1.547 0.000 -0.188) 1.558 13.602 ( -2.313 0.000 -0.030) 2.313 13.778 ( 2.047 0.000 -2.902) 3.552 13.846 ( 0.913 0.000 -2.023) 2.220 13.930 ( 1.851 0.000 -2.387) 3.021 14.041 ( 2.406 0.000 -1.225) 2.700 17.055 ( 0.759 0.000 1.221) 1.437 17.090 ( -0.001 0.000 1.400) 1.400 17.129 ( -0.202 0.000 -1.888) 1.898 17.219 ( -0.914 0.000 -1.027) 1.375 17.286 ( 0.897 0.000 -1.790) 2.002 17.303 ( 0.096 0.000 0.654) 0.661 17.371 ( -1.581 0.000 -0.467) 1.648 17.458 ( 1.364 0.000 1.798) 2.257 17.546 ( -3.906 0.000 -5.557) 6.793 17.583 ( -0.741 0.000 -5.249) 5.301 17.678 ( 1.693 0.000 -1.237) 2.097 17.780 ( 0.916 0.000 0.042) 0.917 17.818 ( -0.047 0.000 0.240) 0.244 17.845 ( -0.505 0.000 0.400) 0.644 17.920 ( 5.287 0.000 2.466) 5.833 17.972 ( 0.965 0.000 -0.157) 0.978 18.282 ( 0.337 0.000 2.065) 2.092 18.350 ( 0.802 0.000 -0.415) 0.903 18.463 ( 1.024 0.000 -0.753) 1.270 18.470 ( -2.493 0.000 2.068) 3.239 18.504 ( 1.292 0.000 -3.016) 3.281 18.539 ( 0.239 0.000 -0.997) 1.025 18.880 ( 0.060 0.000 1.524) 1.526 18.922 ( -0.539 0.000 -0.122) 0.553 20.160 ( -0.766 0.000 0.289) 0.818 20.367 ( -5.307 0.000 -2.438) 5.840 20.669 ( 2.755 0.000 7.747) 8.222 20.894 ( -0.538 0.000 1.447) 1.544 21.551 ( 0.791 0.000 1.285) 1.509 21.856 ( 4.467 0.000 4.064) 6.039 21.860 ( -1.026 0.000 0.246) 1.055 22.049 ( 1.116 0.000 7.384) 7.468 22.225 ( -0.497 0.000 0.317) 0.589 22.227 ( -2.961 0.000 -4.050) 5.017 22.506 ( 3.771 0.000 -2.638) 4.602 22.618 ( -7.331 0.000 -11.039) 13.252 25.178 ( 2.572 0.000 1.865) 3.177 25.349 ( -4.257 0.000 4.432) 6.146 25.490 ( 0.142 0.000 -0.957) 0.967 25.668 ( -5.596 0.000 0.405) 5.610 29.156 ( 1.045 0.000 -0.880) 1.366 29.164 ( 1.235 0.000 0.380) 1.292 29.271 ( 3.855 0.000 -0.631) 3.907 29.273 ( 1.525 0.000 -0.232) 1.542 29.473 ( -2.575 0.000 0.468) 2.617 29.522 ( -0.277 0.000 0.953) 0.992 29.563 ( -2.875 0.000 -0.276) 2.888 29.587 ( 0.202 0.000 0.970) 0.991 30.968 ( 0.615 0.000 2.033) 2.124 31.074 ( -2.341 0.000 -1.737) 2.915 31.309 ( 7.750 0.000 8.040) 11.167 31.395 ( -0.579 0.000 0.045) 0.581 31.685 ( 5.347 0.000 -4.676) 7.104 31.728 ( -2.992 0.000 2.492) 3.894 31.988 ( 1.765 0.000 0.389) 1.808 32.090 ( -2.633 0.000 4.255) 5.004 32.182 ( 0.655 0.000 -1.235) 1.398 32.279 ( -2.042 0.000 4.483) 4.926 32.479 ( 7.599 0.000 7.943) 10.993 32.571 ( -4.270 0.000 -0.703) 4.328 32.859 ( 3.536 0.000 -1.278) 3.760 33.020 ( 4.891 0.000 -0.984) 4.989 33.194 ( -0.822 0.000 -4.060) 4.142 33.266 ( 2.535 0.000 -2.729) 3.725 33.346 ( -2.201 0.000 0.454) 2.248 33.436 ( -16.158 0.000 -8.352) 18.189 34.501 ( 4.760 0.000 3.144) 5.704 34.507 ( 8.700 0.000 2.597) 9.079 34.730 ( 4.759 0.000 14.857) 15.601 34.972 ( -13.521 0.000 4.130) 14.138 35.463 ( 6.741 0.000 -17.533) 18.785 35.814 ( -1.321 0.000 -16.110) 16.164 106.304 ( -0.575 0.000 -0.397) 0.698 106.349 ( -0.141 0.000 -0.272) 0.306 106.364 ( -0.445 0.000 -0.130) 0.464 106.401 ( -0.090 0.000 0.237) 0.254 108.399 ( 0.840 0.000 0.494) 0.974 108.439 ( -0.052 0.000 0.515) 0.518 108.466 ( -0.619 0.000 -1.202) 1.352 108.481 ( 0.854 0.000 -0.814) 1.180 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 15.091 0.000 11.617) 19.044 2.254 ( 2.159 0.000 1.669) 2.729 2.286 ( 16.678 0.000 -0.803) 16.698 2.378 ( -7.353 0.000 -5.093) 8.944 2.465 ( -12.840 0.000 6.056) 14.196 2.525 ( 15.191 0.000 -1.705) 15.287 2.683 ( 13.435 0.000 -3.288) 13.831 2.691 ( 1.962 0.000 -3.045) 3.622 2.769 ( -0.590 0.000 -0.791) 0.987 2.875 ( -15.043 0.000 3.486) 15.442 2.911 ( -9.403 0.000 1.009) 9.457 3.026 ( -18.703 0.000 -1.790) 18.789 3.241 ( -5.568 0.000 -0.986) 5.655 3.314 ( -0.804 0.000 5.534) 5.592 3.361 ( 7.195 0.000 3.094) 7.832 3.443 ( 0.885 0.000 12.813) 12.843 3.464 ( 9.588 0.000 10.305) 14.076 3.635 ( -2.122 0.000 -0.922) 2.314 3.641 ( -0.768 0.000 -0.141) 0.781 3.853 ( -0.632 0.000 -6.204) 6.237 3.884 ( 4.162 0.000 6.745) 7.926 3.934 ( 6.754 0.000 6.798) 9.582 4.054 ( -2.692 0.000 0.030) 2.692 4.158 ( -4.297 0.000 -5.587) 7.048 4.219 ( -4.791 0.000 -1.354) 4.978 4.277 ( -2.394 0.000 2.062) 3.160 4.310 ( 5.537 0.000 -3.627) 6.619 4.483 ( -3.841 0.000 3.900) 5.474 4.585 ( -2.750 0.000 1.765) 3.268 4.646 ( 8.794 0.000 -8.485) 12.220 4.732 ( 1.374 0.000 -3.463) 3.726 4.821 ( 0.694 0.000 2.897) 2.979 4.868 ( -0.483 0.000 6.043) 6.062 4.881 ( -1.711 0.000 4.074) 4.419 4.917 ( 0.886 0.000 -8.484) 8.530 5.052 ( -1.505 0.000 -6.711) 6.878 5.163 ( 4.421 0.000 -5.080) 6.734 5.221 ( -3.277 0.000 -2.142) 3.915 5.275 ( -1.101 0.000 9.047) 9.114 5.324 ( 5.187 0.000 -8.578) 10.025 5.350 ( 7.098 0.000 0.395) 7.109 5.386 ( 4.012 0.000 6.852) 7.941 5.493 ( -5.616 0.000 -0.013) 5.616 5.590 ( 0.197 0.000 -3.590) 3.596 5.592 ( -1.385 0.000 -2.865) 3.182 5.622 ( 1.660 0.000 4.008) 4.339 5.742 ( -0.329 0.000 -1.736) 1.767 5.782 ( -5.480 0.000 0.126) 5.481 5.879 ( -3.779 0.000 -2.437) 4.497 5.944 ( 1.389 0.000 2.736) 3.069 6.024 ( 1.115 0.000 0.647) 1.290 6.160 ( -11.137 0.000 -10.021) 14.981 6.169 ( -2.801 0.000 -2.252) 3.594 6.314 ( 0.439 0.000 0.635) 0.772 6.448 ( -1.356 0.000 -1.935) 2.363 6.482 ( 3.712 0.000 -2.764) 4.628 6.608 ( -6.344 0.000 -2.054) 6.668 6.734 ( 4.140 0.000 3.665) 5.530 6.769 ( 1.381 0.000 1.361) 1.939 6.783 ( 2.918 0.000 0.909) 3.056 7.014 ( 2.861 0.000 2.242) 3.635 7.016 ( 0.622 0.000 1.162) 1.318 7.186 ( 4.022 0.000 1.227) 4.205 7.279 ( -4.420 0.000 4.543) 6.338 7.414 ( 4.747 0.000 -5.447) 7.225 7.424 ( -6.668 0.000 -3.366) 7.469 7.443 ( -1.143 0.000 -1.946) 2.257 7.486 ( -1.521 0.000 -2.658) 3.062 7.883 ( -0.093 0.000 0.309) 0.323 8.076 ( 0.018 0.000 0.845) 0.845 8.147 ( -0.069 0.000 -3.767) 3.768 8.223 ( 1.590 0.000 -0.372) 1.633 9.215 ( 0.430 0.000 0.095) 0.440 9.396 ( 0.645 0.000 0.049) 0.647 9.512 ( 0.418 0.000 0.134) 0.439 9.663 ( -0.008 0.000 -1.084) 1.084 9.901 ( 1.014 0.000 3.219) 3.375 9.956 ( 4.369 0.000 5.281) 6.854 10.045 ( -1.833 0.000 0.001) 1.833 10.069 ( -3.299 0.000 2.114) 3.918 10.164 ( -0.508 0.000 -0.109) 0.519 10.298 ( -0.145 0.000 -2.077) 2.082 10.303 ( 0.407 0.000 -6.198) 6.211 10.552 ( -1.069 0.000 2.017) 2.283 10.764 ( -0.959 0.000 -2.327) 2.517 10.769 ( -0.128 0.000 -0.464) 0.482 10.801 ( 0.981 0.000 -2.559) 2.740 11.205 ( -2.304 0.000 0.997) 2.510 11.553 ( 0.661 0.000 0.917) 1.130 11.593 ( 0.088 0.000 -0.300) 0.313 12.296 ( 2.428 0.000 2.507) 3.491 12.298 ( 0.142 0.000 1.144) 1.152 12.339 ( -1.299 0.000 1.983) 2.371 12.463 ( 0.894 0.000 -0.898) 1.267 12.477 ( -0.094 0.000 2.736) 2.738 12.511 ( 1.337 0.000 -0.090) 1.340 12.695 ( -0.145 0.000 -0.002) 0.145 12.830 ( 2.658 0.000 -0.344) 2.681 12.857 ( -4.407 0.000 2.883) 5.266 12.926 ( 1.706 0.000 0.823) 1.895 13.066 ( 0.793 0.000 -0.276) 0.839 13.096 ( -0.190 0.000 -2.008) 2.017 13.128 ( -0.057 0.000 -0.823) 0.825 13.224 ( 0.778 0.000 0.363) 0.859 13.326 ( -1.497 0.000 -0.179) 1.508 13.375 ( -0.932 0.000 -0.064) 0.935 13.420 ( -0.426 0.000 0.240) 0.489 13.577 ( -1.101 0.000 -0.006) 1.101 13.768 ( 0.585 0.000 -1.275) 1.403 13.834 ( 0.333 0.000 -1.010) 1.064 13.925 ( 0.593 0.000 -0.953) 1.122 14.049 ( 0.694 0.000 -0.683) 0.974 17.086 ( 1.070 0.000 0.875) 1.382 17.096 ( -1.102 0.000 0.456) 1.192 17.118 ( 0.933 0.000 -0.522) 1.069 17.190 ( -1.021 0.000 -0.742) 1.262 17.278 ( 0.405 0.000 -0.781) 0.879 17.303 ( -0.165 0.000 -0.135) 0.213 17.379 ( 0.599 0.000 1.678) 1.782 17.440 ( -1.855 0.000 -2.362) 3.003 17.487 ( 0.488 0.000 0.649) 0.812 17.502 ( -1.617 0.000 -3.982) 4.297 17.684 ( 0.618 0.000 -0.341) 0.705 17.789 ( 0.370 0.000 -0.005) 0.370 17.822 ( 0.144 0.000 0.114) 0.184 17.846 ( -0.159 0.000 0.220) 0.271 17.979 ( 0.156 0.000 0.137) 0.207 17.989 ( 1.913 0.000 0.514) 1.981 18.313 ( 0.199 0.000 1.614) 1.626 18.352 ( 0.390 0.000 -0.636) 0.746 18.459 ( -1.230 0.000 0.525) 1.337 18.467 ( 0.437 0.000 -0.286) 0.522 18.490 ( 0.664 0.000 -1.218) 1.387 18.534 ( 0.137 0.000 -0.248) 0.283 18.898 ( 0.171 0.000 0.713) 0.733 18.911 ( -0.420 0.000 -0.175) 0.455 20.170 ( 1.148 0.000 0.466) 1.239 20.277 ( -3.311 0.000 -1.287) 3.552 20.774 ( 1.268 0.000 3.444) 3.670 20.899 ( -0.294 0.000 0.281) 0.407 21.570 ( 0.310 0.000 0.447) 0.544 21.852 ( -0.336 0.000 -0.041) 0.338 21.981 ( 4.744 0.000 4.598) 6.606 22.115 ( -2.432 0.000 -4.647) 5.245 22.191 ( 0.925 0.000 10.142) 10.184 22.221 ( -0.234 0.000 0.058) 0.241 22.380 ( -5.199 0.000 -11.619) 12.730 22.520 ( 1.173 0.000 -0.643) 1.338 25.227 ( 1.521 0.000 0.743) 1.693 25.342 ( -1.874 0.000 1.414) 2.348 25.491 ( 0.930 0.000 -0.362) 0.998 25.604 ( -3.158 0.000 0.128) 3.161 29.159 ( 0.345 0.000 -0.314) 0.467 29.182 ( 0.585 0.000 0.154) 0.605 29.286 ( 0.523 0.000 -0.091) 0.531 29.310 ( 2.089 0.000 -0.261) 2.105 29.448 ( -1.440 0.000 0.266) 1.464 29.528 ( -1.351 0.000 -0.144) 1.359 29.528 ( -0.123 0.000 0.406) 0.424 29.599 ( 0.157 0.000 0.408) 0.437 30.998 ( 0.436 0.000 0.953) 1.048 31.037 ( -0.827 0.000 -0.589) 1.016 31.389 ( -0.307 0.000 0.108) 0.326 31.545 ( 7.848 0.000 9.219) 12.107 31.690 ( 1.576 0.000 -1.797) 2.390 31.726 ( -0.850 0.000 1.104) 1.393 31.901 ( -4.546 0.000 -7.871) 9.089 32.103 ( -1.042 0.000 1.690) 1.986 32.157 ( -1.032 0.000 -1.169) 1.559 32.331 ( 0.426 0.000 4.024) 4.047 32.524 ( -1.266 0.000 -0.467) 1.349 32.647 ( 3.415 0.000 3.229) 4.700 32.906 ( 3.201 0.000 0.145) 3.204 33.061 ( 2.607 0.000 -0.332) 2.628 33.111 ( -2.935 0.000 -2.477) 3.840 33.143 ( -5.445 0.000 -2.283) 5.904 33.320 ( -0.098 0.000 -1.681) 1.684 33.342 ( 0.056 0.000 0.234) 0.240 34.585 ( 2.252 0.000 -0.241) 2.265 34.596 ( 1.762 0.000 1.102) 2.078 34.915 ( -5.592 0.000 8.821) 10.444 34.983 ( 5.347 0.000 9.040) 10.503 35.314 ( 2.207 0.000 -12.794) 12.983 35.602 ( -2.985 0.000 -9.364) 9.828 106.295 ( -0.220 0.000 -0.156) 0.270 106.346 ( -0.050 0.000 -0.105) 0.116 106.358 ( -0.211 0.000 -0.011) 0.211 106.402 ( -0.028 0.000 0.095) 0.099 108.416 ( 0.647 0.000 0.450) 0.788 108.442 ( -0.051 0.000 0.200) 0.206 108.444 ( -0.567 0.000 -0.743) 0.935 108.483 ( 0.355 0.000 -0.296) 0.462 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 27.995 0.000) 27.995 0.674 ( 0.000 36.137 0.000) 36.137 0.946 ( 0.000 48.578 0.000) 48.578 1.848 ( 0.000 -13.193 0.000) 13.193 1.997 ( 0.000 -5.191 0.000) 5.191 2.537 ( 0.000 -4.936 0.000) 4.936 2.585 ( 0.000 -5.891 0.000) 5.891 2.702 ( 0.000 6.580 0.000) 6.580 2.861 ( 0.000 -3.672 0.000) 3.672 2.890 ( 0.000 2.441 0.000) 2.441 2.903 ( 0.000 7.516 0.000) 7.516 2.996 ( 0.000 -10.348 0.000) 10.348 3.064 ( 0.000 -5.868 0.000) 5.868 3.101 ( 0.000 -1.831 0.000) 1.831 3.329 ( 0.000 -1.619 0.000) 1.619 3.418 ( 0.000 -2.718 0.000) 2.718 3.471 ( 0.000 4.104 0.000) 4.104 3.564 ( 0.000 0.295 0.000) 0.295 3.586 ( 0.000 0.796 0.000) 0.796 3.750 ( 0.000 -4.517 0.000) 4.517 3.756 ( 0.000 -10.030 0.000) 10.030 3.804 ( 0.000 2.692 0.000) 2.692 3.956 ( 0.000 -4.105 0.000) 4.105 4.079 ( 0.000 -1.580 0.000) 1.580 4.143 ( 0.000 -4.370 0.000) 4.370 4.254 ( 0.000 6.784 0.000) 6.784 4.332 ( 0.000 1.384 0.000) 1.384 4.374 ( 0.000 4.541 0.000) 4.541 4.428 ( 0.000 -2.830 0.000) 2.830 4.540 ( 0.000 0.718 0.000) 0.718 4.633 ( 0.000 10.747 0.000) 10.747 4.729 ( 0.000 5.841 0.000) 5.841 4.779 ( 0.000 1.680 0.000) 1.680 4.833 ( 0.000 -1.670 0.000) 1.670 4.908 ( 0.000 -2.467 0.000) 2.467 5.114 ( 0.000 7.875 0.000) 7.875 5.190 ( 0.000 10.935 0.000) 10.935 5.234 ( 0.000 -7.479 0.000) 7.479 5.255 ( 0.000 -4.896 0.000) 4.896 5.384 ( 0.000 -8.573 0.000) 8.573 5.503 ( 0.000 7.620 0.000) 7.620 5.511 ( 0.000 -5.003 0.000) 5.003 5.604 ( 0.000 -5.367 0.000) 5.367 5.624 ( 0.000 1.382 0.000) 1.382 5.861 ( 0.000 -0.651 0.000) 0.651 5.924 ( 0.000 0.251 0.000) 0.251 5.958 ( 0.000 0.440 0.000) 0.440 5.992 ( 0.000 4.582 0.000) 4.582 6.114 ( 0.000 2.940 0.000) 2.940 6.192 ( 0.000 -3.691 0.000) 3.691 6.218 ( 0.000 -4.333 0.000) 4.333 6.354 ( 0.000 -6.846 0.000) 6.846 6.406 ( 0.000 -3.243 0.000) 3.243 6.501 ( 0.000 1.676 0.000) 1.676 6.521 ( 0.000 1.401 0.000) 1.401 6.536 ( 0.000 -1.284 0.000) 1.284 6.685 ( 0.000 -2.619 0.000) 2.619 6.725 ( 0.000 -3.045 0.000) 3.045 6.766 ( 0.000 -6.937 0.000) 6.937 6.775 ( 0.000 2.210 0.000) 2.210 6.882 ( 0.000 -0.702 0.000) 0.702 6.939 ( 0.000 -2.242 0.000) 2.242 7.134 ( 0.000 16.326 0.000) 16.326 7.426 ( 0.000 7.067 0.000) 7.067 7.602 ( 0.000 -0.933 0.000) 0.933 7.613 ( 0.000 -1.852 0.000) 1.852 7.846 ( 0.000 -3.129 0.000) 3.129 7.960 ( 0.000 2.755 0.000) 2.755 8.025 ( 0.000 -0.565 0.000) 0.565 8.049 ( 0.000 3.423 0.000) 3.423 8.257 ( 0.000 -0.779 0.000) 0.779 8.327 ( 0.000 -0.987 0.000) 0.987 9.243 ( 0.000 0.693 0.000) 0.693 9.324 ( 0.000 -1.288 0.000) 1.288 9.371 ( 0.000 1.315 0.000) 1.315 9.467 ( 0.000 -1.353 0.000) 1.353 9.676 ( 0.000 0.675 0.000) 0.675 9.738 ( 0.000 -0.716 0.000) 0.716 9.776 ( 0.000 0.397 0.000) 0.397 9.806 ( 0.000 0.001 0.000) 0.001 10.117 ( 0.000 1.258 0.000) 1.258 10.365 ( 0.000 -6.055 0.000) 6.055 10.529 ( 0.000 2.722 0.000) 2.722 10.690 ( 0.000 -2.375 0.000) 2.375 10.923 ( 0.000 1.336 0.000) 1.336 11.007 ( 0.000 3.122 0.000) 3.122 11.063 ( 0.000 -1.768 0.000) 1.768 11.212 ( 0.000 -2.487 0.000) 2.487 11.749 ( 0.000 0.650 0.000) 0.650 11.802 ( 0.000 -0.581 0.000) 0.581 12.051 ( 0.000 2.003 0.000) 2.003 12.102 ( 0.000 1.451 0.000) 1.451 12.200 ( 0.000 -0.900 0.000) 0.900 12.212 ( 0.000 -1.646 0.000) 1.646 12.367 ( 0.000 0.447 0.000) 0.447 12.380 ( 0.000 -0.140 0.000) 0.140 12.645 ( 0.000 0.889 0.000) 0.889 12.749 ( 0.000 -1.349 0.000) 1.349 12.833 ( 0.000 2.028 0.000) 2.028 12.913 ( 0.000 0.420 0.000) 0.420 12.995 ( 0.000 0.713 0.000) 0.713 13.105 ( 0.000 -1.569 0.000) 1.569 13.187 ( 0.000 0.408 0.000) 0.408 13.225 ( 0.000 -0.545 0.000) 0.545 13.544 ( 0.000 0.981 0.000) 0.981 13.589 ( 0.000 0.203 0.000) 0.203 13.692 ( 0.000 0.157 0.000) 0.157 13.692 ( 0.000 -0.586 0.000) 0.586 13.759 ( 0.000 -0.233 0.000) 0.233 13.828 ( 0.000 -1.656 0.000) 1.656 13.859 ( 0.000 0.847 0.000) 0.847 13.897 ( 0.000 -0.025 0.000) 0.025 17.082 ( 0.000 1.546 0.000) 1.546 17.129 ( 0.000 0.304 0.000) 0.304 17.200 ( 0.000 -1.450 0.000) 1.450 17.218 ( 0.000 -2.152 0.000) 2.152 17.293 ( 0.000 0.475 0.000) 0.475 17.298 ( 0.000 0.181 0.000) 0.181 17.363 ( 0.000 1.466 0.000) 1.466 17.427 ( 0.000 0.950 0.000) 0.950 17.441 ( 0.000 -1.401 0.000) 1.401 17.483 ( 0.000 0.295 0.000) 0.295 17.663 ( 0.000 -0.101 0.000) 0.101 17.679 ( 0.000 -0.875 0.000) 0.875 17.755 ( 0.000 0.945 0.000) 0.945 17.782 ( 0.000 -0.123 0.000) 0.123 17.888 ( 0.000 0.590 0.000) 0.590 17.931 ( 0.000 -0.527 0.000) 0.527 18.263 ( 0.000 0.851 0.000) 0.851 18.323 ( 0.000 -0.437 0.000) 0.437 18.468 ( 0.000 -0.126 0.000) 0.126 18.509 ( 0.000 -1.363 0.000) 1.363 18.552 ( 0.000 0.702 0.000) 0.702 18.557 ( 0.000 0.155 0.000) 0.155 18.875 ( 0.000 0.794 0.000) 0.794 18.920 ( 0.000 -0.301 0.000) 0.301 20.161 ( 0.000 0.295 0.000) 0.295 20.216 ( 0.000 -1.670 0.000) 1.670 20.395 ( 0.000 3.383 0.000) 3.383 20.587 ( 0.000 -1.912 0.000) 1.912 21.488 ( 0.000 1.953 0.000) 1.953 21.653 ( 0.000 -2.409 0.000) 2.409 21.870 ( 0.000 0.577 0.000) 0.577 21.878 ( 0.000 0.163 0.000) 0.163 22.075 ( 0.000 0.948 0.000) 0.948 22.191 ( 0.000 -2.309 0.000) 2.309 22.656 ( 0.000 4.911 0.000) 4.911 23.025 ( 0.000 -4.662 0.000) 4.662 25.065 ( 0.000 0.933 0.000) 0.933 25.171 ( 0.000 -1.955 0.000) 1.955 25.581 ( 0.000 3.033 0.000) 3.033 25.785 ( 0.000 -2.305 0.000) 2.305 29.100 ( 0.000 -0.240 0.000) 0.240 29.142 ( 0.000 -1.485 0.000) 1.485 29.224 ( 0.000 1.145 0.000) 1.145 29.241 ( 0.000 0.682 0.000) 0.682 29.540 ( 0.000 0.226 0.000) 0.226 29.569 ( 0.000 -0.536 0.000) 0.536 29.570 ( 0.000 1.111 0.000) 1.111 29.643 ( 0.000 -0.556 0.000) 0.556 30.980 ( 0.000 -0.227 0.000) 0.227 30.993 ( 0.000 -0.647 0.000) 0.647 31.279 ( 0.000 1.265 0.000) 1.265 31.390 ( 0.000 -1.467 0.000) 1.467 31.600 ( 0.000 1.505 0.000) 1.505 31.701 ( 0.000 -1.092 0.000) 1.092 31.852 ( 0.000 1.154 0.000) 1.154 31.922 ( 0.000 -0.625 0.000) 0.625 32.060 ( 0.000 0.696 0.000) 0.696 32.224 ( 0.000 -4.377 0.000) 4.377 32.537 ( 0.000 2.979 0.000) 2.979 32.603 ( 0.000 2.829 0.000) 2.829 32.857 ( 0.000 1.015 0.000) 1.015 32.924 ( 0.000 -0.861 0.000) 0.861 33.209 ( 0.000 2.968 0.000) 2.968 33.316 ( 0.000 1.729 0.000) 1.729 33.866 ( 0.000 -3.223 0.000) 3.223 34.165 ( 0.000 -12.473 0.000) 12.473 34.222 ( 0.000 3.270 0.000) 3.270 34.478 ( 0.000 0.655 0.000) 0.655 34.845 ( 0.000 4.068 0.000) 4.068 34.886 ( 0.000 3.105 0.000) 3.105 35.617 ( 0.000 -0.616 0.000) 0.616 35.647 ( 0.000 -1.197 0.000) 1.197 106.364 ( 0.000 0.093 0.000) 0.093 106.368 ( 0.000 0.043 0.000) 0.043 106.397 ( 0.000 0.239 0.000) 0.239 106.423 ( 0.000 -0.358 0.000) 0.358 108.417 ( 0.000 -0.051 0.000) 0.051 108.418 ( 0.000 -0.173 0.000) 0.173 108.452 ( 0.000 0.896 0.000) 0.896 108.510 ( 0.000 -0.646 0.000) 0.646 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 17.867 21.771 8.751) 29.492 0.935 ( 15.790 22.236 22.343) 35.255 1.360 ( 33.525 29.191 15.339) 47.025 1.848 ( 0.261 -5.846 1.665) 6.084 2.055 ( 5.053 -6.422 7.287) 10.949 2.570 ( -5.560 -9.440 8.762) 14.028 2.629 ( 2.532 -2.039 6.780) 7.519 2.689 ( -0.785 4.396 -0.988) 4.573 2.843 ( -2.174 -0.496 -2.980) 3.722 2.892 ( -4.869 -1.666 6.001) 7.906 2.973 ( 2.721 8.891 6.986) 11.630 2.998 ( -5.802 1.914 3.721) 7.153 3.077 ( -1.035 -8.604 -2.911) 9.141 3.098 ( 8.769 -9.633 -1.105) 13.073 3.344 ( -1.920 2.853 -1.835) 3.898 3.387 ( -6.494 -3.114 0.889) 7.256 3.448 ( 1.092 -2.576 -2.665) 3.864 3.521 ( -5.501 2.050 0.742) 5.917 3.669 ( 9.329 1.562 -1.763) 9.622 3.742 ( -0.978 0.719 -0.562) 1.338 3.812 ( -0.820 -1.218 0.788) 1.666 3.864 ( 1.868 -7.772 7.968) 11.286 3.962 ( 3.851 -7.949 3.702) 9.577 4.106 ( -7.446 -1.745 1.874) 7.874 4.152 ( -2.824 0.856 3.329) 4.449 4.254 ( -1.481 -5.068 2.756) 5.956 4.296 ( 0.000 -1.552 -1.075) 1.888 4.391 ( -3.775 -0.658 3.405) 5.127 4.482 ( 5.327 5.321 6.250) 9.785 4.590 ( 1.446 8.777 4.705) 10.063 4.654 ( 2.360 3.691 -0.895) 4.471 4.729 ( -5.610 -1.009 2.126) 6.083 4.781 ( 9.388 2.820 0.835) 9.838 4.873 ( 0.239 -1.559 -2.958) 3.352 4.992 ( 3.905 -2.846 3.576) 6.011 5.038 ( -5.171 8.758 -1.075) 10.227 5.139 ( -0.308 1.117 -2.319) 2.592 5.226 ( 1.536 -5.468 -2.344) 6.144 5.300 ( 2.544 -3.284 -3.014) 5.132 5.348 ( 0.762 -4.806 -2.832) 5.631 5.463 ( -0.506 5.650 -1.316) 5.824 5.530 ( -2.533 4.816 -1.537) 5.655 5.608 ( 2.864 -3.644 -2.123) 5.098 5.640 ( 1.983 -2.088 -1.909) 3.455 5.807 ( -8.081 1.067 0.477) 8.165 5.909 ( -4.080 1.783 1.960) 4.865 5.927 ( 1.702 2.911 -0.253) 3.381 6.097 ( 0.039 -2.484 -1.829) 3.085 6.126 ( 1.841 0.035 -4.954) 5.286 6.158 ( 2.779 -1.780 -3.214) 4.606 6.173 ( 3.874 -3.892 -7.236) 9.084 6.310 ( -4.913 -1.556 -5.410) 7.472 6.381 ( -2.454 -9.784 2.005) 10.284 6.460 ( 2.666 -0.625 -3.613) 4.534 6.473 ( -2.178 -0.932 -1.459) 2.782 6.567 ( 1.046 -1.945 -0.100) 2.211 6.650 ( -4.462 -3.433 0.859) 5.695 6.728 ( -2.214 -0.503 1.081) 2.515 6.774 ( 1.026 -1.979 0.363) 2.258 6.786 ( 1.441 -2.871 1.871) 3.718 6.865 ( -3.951 4.385 -1.747) 6.156 6.969 ( 3.308 -2.485 -1.069) 4.274 7.117 ( -0.149 10.843 -0.611) 10.861 7.422 ( 3.628 5.594 -3.727) 7.638 7.509 ( -9.460 1.438 -5.688) 11.131 7.590 ( -0.155 -1.395 -1.917) 2.376 7.776 ( -9.298 1.912 -1.762) 9.655 7.871 ( -4.412 1.080 -5.457) 7.100 7.956 ( 0.406 4.730 -5.088) 6.959 8.049 ( -2.518 3.141 2.870) 4.944 8.104 ( 9.328 4.546 -10.023) 14.427 8.322 ( 2.611 -1.618 -4.139) 5.154 9.232 ( -0.029 1.079 -1.303) 1.692 9.325 ( 1.020 -0.993 -0.626) 1.555 9.412 ( 1.418 1.161 3.815) 4.233 9.540 ( 1.291 -3.287 5.694) 6.700 9.698 ( 0.672 1.579 3.945) 4.303 9.723 ( 2.302 4.554 0.183) 5.106 9.745 ( -0.835 0.258 1.556) 1.785 10.056 ( -0.987 -7.557 11.719) 13.979 10.146 ( -3.466 -1.108 9.851) 10.502 10.358 ( -3.659 -3.709 3.474) 6.262 10.515 ( -1.616 2.832 -0.457) 3.292 10.652 ( -3.972 -1.986 -1.238) 4.610 10.839 ( 0.664 -1.384 -5.541) 5.750 10.906 ( 1.768 -0.573 -10.202) 10.370 11.162 ( -1.672 4.175 3.392) 5.634 11.306 ( 3.436 -3.061 6.215) 7.733 11.566 ( -8.364 4.653 -7.264) 12.016 11.713 ( 3.472 -2.275 -13.975) 14.579 12.067 ( 0.729 1.897 1.531) 2.544 12.129 ( 0.565 1.092 3.370) 3.587 12.221 ( 1.782 -2.133 0.589) 2.841 12.227 ( -0.460 -1.467 4.227) 4.498 12.370 ( -1.179 1.309 2.290) 2.889 12.416 ( 2.585 -0.960 0.516) 2.806 12.660 ( 0.061 0.628 1.963) 2.062 12.755 ( 0.989 -1.913 -0.272) 2.171 12.844 ( 0.911 1.847 0.011) 2.059 12.911 ( 1.383 1.181 -1.628) 2.441 12.999 ( 0.933 0.315 0.419) 1.070 13.101 ( -1.251 -0.166 -0.059) 1.263 13.139 ( -1.383 1.158 -0.767) 1.960 13.220 ( -0.582 -1.381 -0.206) 1.513 13.513 ( -3.532 0.478 -0.319) 3.578 13.554 ( -3.463 -0.172 -1.415) 3.745 13.618 ( -5.038 0.181 -3.170) 5.955 13.665 ( -1.946 -0.788 -1.207) 2.421 13.777 ( 3.542 1.066 -1.362) 3.941 13.853 ( 0.777 -0.058 -0.015) 0.780 13.901 ( 4.584 -0.986 -0.972) 4.789 13.919 ( 4.095 -0.567 -0.115) 4.135 17.060 ( -2.260 -0.151 0.361) 2.293 17.114 ( -1.880 0.812 -1.354) 2.455 17.186 ( -0.632 -1.176 -1.600) 2.084 17.208 ( 1.019 -2.533 0.135) 2.734 17.291 ( -0.784 0.308 0.060) 0.844 17.310 ( 1.134 0.298 -0.865) 1.457 17.377 ( 1.291 2.372 1.981) 3.349 17.456 ( -0.972 0.339 -0.318) 1.078 17.523 ( 9.187 0.830 3.548) 9.883 17.642 ( 4.377 -2.316 0.472) 4.974 17.661 ( 1.639 -0.170 -1.074) 1.967 17.705 ( 4.217 -2.949 -0.794) 5.207 17.750 ( 0.063 0.569 0.131) 0.588 17.802 ( -0.211 -2.659 2.001) 3.334 17.884 ( -0.110 0.698 -0.647) 0.958 17.934 ( 2.662 -0.744 -2.230) 3.551 18.265 ( -1.639 0.888 2.000) 2.734 18.327 ( 0.271 -0.450 0.361) 0.637 18.461 ( -0.508 -0.257 0.030) 0.570 18.517 ( -0.614 -1.305 0.482) 1.521 18.529 ( 0.301 1.946 -2.462) 3.153 18.562 ( 0.856 0.480 -0.408) 1.063 18.872 ( -0.769 1.052 0.538) 1.410 18.913 ( 0.019 0.268 0.329) 0.425 20.218 ( -0.984 0.071 0.966) 1.381 20.423 ( 0.628 1.767 4.708) 5.068 20.514 ( 6.400 -13.463 5.647) 15.940 20.581 ( 4.331 -7.403 5.837) 10.374 21.493 ( 0.428 1.701 0.997) 2.018 21.672 ( 1.202 -2.633 1.544) 3.281 21.879 ( -2.027 0.137 2.548) 3.259 21.900 ( 0.060 0.280 3.330) 3.343 22.171 ( 4.519 -3.888 1.608) 6.174 22.217 ( 6.211 -3.549 -0.707) 7.188 22.597 ( -1.093 6.543 -6.032) 8.966 22.968 ( -3.952 -4.461 -4.356) 7.382 25.082 ( 1.066 1.020 1.425) 2.052 25.236 ( -3.469 -5.590 9.751) 11.763 25.570 ( -1.428 2.922 -0.191) 3.258 25.766 ( -2.772 -2.152 0.282) 3.520 29.118 ( 2.191 -0.586 -0.134) 2.272 29.141 ( 0.996 -1.026 -1.120) 1.816 29.217 ( 1.042 1.798 -1.303) 2.453 29.247 ( 1.179 0.659 -0.430) 1.417 29.530 ( -0.911 0.751 -0.352) 1.232 29.547 ( -1.473 1.278 0.034) 1.950 29.572 ( -0.774 0.968 1.015) 1.602 29.632 ( -1.317 -0.502 -0.175) 1.420 30.963 ( -1.428 1.102 0.452) 1.860 31.031 ( 2.547 -0.993 2.034) 3.408 31.238 ( -2.489 1.137 -2.809) 3.922 31.372 ( -1.251 -2.572 -0.198) 2.867 31.627 ( 4.597 1.393 -1.643) 5.077 31.703 ( 1.027 -1.093 -0.228) 1.517 31.872 ( 2.411 3.949 1.120) 4.760 31.984 ( 3.373 -1.109 5.123) 6.233 32.048 ( -2.085 1.404 2.730) 3.711 32.235 ( 1.121 -1.316 -0.378) 1.770 32.495 ( -0.546 11.543 -2.484) 11.820 32.666 ( -1.919 -4.807 7.001) 8.707 32.866 ( 0.507 0.589 -0.669) 1.025 32.921 ( 1.046 -1.175 -1.477) 2.158 33.151 ( -3.002 5.234 -2.211) 6.427 33.341 ( 2.138 7.111 -3.431) 8.179 33.531 ( -16.859 9.043 -6.424) 20.181 34.021 ( 1.123 -3.042 4.337) 5.415 34.262 ( -5.558 -7.528 -0.299) 9.363 34.346 ( -9.371 -1.261 -1.819) 9.629 34.660 ( -5.790 12.845 -1.279) 14.147 35.059 ( 2.039 -1.223 6.416) 6.842 35.623 ( 4.840 -0.173 -8.334) 9.639 35.918 ( 24.598 -15.870 -13.738) 32.337 106.353 ( -1.128 0.786 -0.470) 1.453 106.365 ( -0.625 0.241 0.381) 0.771 106.391 ( 0.166 0.729 -2.351) 2.467 106.397 ( -0.154 0.065 0.031) 0.170 108.392 ( -0.399 1.694 -0.392) 1.784 108.425 ( 0.164 0.093 0.279) 0.337 108.469 ( 1.244 -0.711 -0.548) 1.534 108.504 ( -0.289 -0.614 -0.704) 0.978 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 20.258 11.742 11.854) 26.245 1.477 ( 21.373 15.514 19.013) 32.542 1.947 ( 6.712 -2.924 6.052) 9.499 2.039 ( 29.059 7.716 14.263) 33.277 2.253 ( 6.006 -3.109 7.938) 10.428 2.600 ( -5.178 -10.738 6.233) 13.453 2.663 ( -0.217 3.449 0.951) 3.585 2.748 ( -2.531 -1.630 0.051) 3.011 2.825 ( 5.420 0.731 6.352) 8.382 2.860 ( 0.400 -2.968 -3.146) 4.343 2.984 ( -3.863 0.897 5.077) 6.442 3.026 ( -3.458 -0.118 1.760) 3.882 3.090 ( -3.506 1.167 7.680) 8.523 3.203 ( 0.326 6.070 4.727) 7.700 3.261 ( -9.913 -0.285 6.049) 11.616 3.361 ( -1.134 -2.189 7.858) 8.235 3.440 ( -2.346 4.647 3.316) 6.172 3.520 ( 3.572 0.967 -0.771) 3.780 3.674 ( -3.068 -0.301 -3.835) 4.921 3.766 ( -3.838 5.795 -2.868) 7.519 3.811 ( 5.789 -2.810 0.992) 6.511 3.930 ( 1.067 -10.231 1.988) 10.477 3.980 ( -5.909 -1.163 -0.718) 6.065 4.090 ( 3.099 -8.876 5.707) 10.998 4.163 ( 0.480 -0.259 2.129) 2.198 4.292 ( 4.608 -0.916 -0.837) 4.772 4.303 ( -3.024 1.276 -0.303) 3.296 4.388 ( -0.310 -5.190 9.665) 10.975 4.594 ( -9.641 -2.171 -0.794) 9.915 4.642 ( -1.703 0.367 1.446) 2.264 4.672 ( 1.233 2.886 7.946) 8.543 4.749 ( 4.608 4.440 6.990) 9.477 4.825 ( 1.554 -0.147 -3.556) 3.884 4.928 ( -2.994 4.734 -2.551) 6.155 4.969 ( 10.207 -1.368 -1.064) 10.353 5.057 ( 0.372 0.543 0.719) 0.974 5.091 ( -0.453 -1.907 -4.116) 4.559 5.240 ( 4.140 -1.379 -3.541) 5.620 5.265 ( 4.683 -3.103 -8.058) 9.823 5.313 ( -0.454 -3.277 -4.243) 5.381 5.430 ( -2.927 5.855 -2.539) 7.021 5.456 ( 0.457 5.440 -4.513) 7.083 5.603 ( -1.208 -4.503 -2.918) 5.500 5.630 ( 0.837 0.278 -2.329) 2.490 5.669 ( -5.471 0.137 -2.194) 5.896 5.834 ( -4.236 0.662 -3.999) 5.863 5.974 ( -0.470 5.403 2.503) 5.973 6.009 ( -8.837 5.463 -2.045) 10.589 6.035 ( 1.057 0.726 -7.369) 7.480 6.091 ( -1.063 -0.228 -5.619) 5.723 6.173 ( 4.530 -0.986 0.606) 4.676 6.208 ( -4.121 -1.792 -5.652) 7.221 6.361 ( -0.161 2.695 -2.208) 3.488 6.433 ( -0.363 -10.316 0.744) 10.349 6.476 ( 0.857 -1.884 -3.220) 3.828 6.539 ( -0.705 -4.031 -0.271) 4.101 6.626 ( -2.591 -3.116 1.310) 4.259 6.673 ( -5.631 0.529 -2.126) 6.043 6.716 ( -1.684 -1.660 -6.401) 6.823 6.794 ( 0.773 -3.482 0.258) 3.576 6.896 ( 3.284 2.303 5.830) 7.076 6.993 ( -1.200 1.893 -0.905) 2.417 7.073 ( 0.101 4.857 -3.174) 5.803 7.326 ( -9.729 1.480 2.210) 10.086 7.445 ( 8.028 1.156 -7.062) 10.755 7.548 ( 0.082 -1.120 -4.261) 4.407 7.654 ( -2.611 1.277 -4.843) 5.648 7.754 ( -4.851 -0.847 -4.991) 7.011 7.917 ( 0.019 4.156 -1.723) 4.500 8.062 ( 0.172 1.620 1.074) 1.951 8.130 ( 4.779 0.409 -2.481) 5.400 8.282 ( 1.435 -2.056 -6.534) 6.999 9.219 ( 0.529 1.532 -1.031) 1.921 9.338 ( 1.366 -1.345 0.030) 1.917 9.477 ( 1.617 1.521 2.398) 3.268 9.627 ( 2.126 -3.344 3.400) 5.221 9.743 ( 1.737 1.036 1.356) 2.434 9.765 ( 0.219 0.254 3.355) 3.371 9.845 ( 3.551 4.385 9.082) 10.692 10.101 ( -1.342 -0.953 2.012) 2.600 10.213 ( -5.880 -0.456 8.173) 10.079 10.366 ( -0.668 -2.795 2.095) 3.556 10.472 ( -0.767 1.609 -3.705) 4.111 10.565 ( -4.586 -1.386 -1.755) 5.102 10.801 ( 2.225 -1.306 -5.599) 6.165 10.832 ( 2.106 -3.474 -4.644) 6.170 11.084 ( -5.922 5.761 -5.485) 9.917 11.326 ( -6.566 -3.159 -3.588) 8.122 11.465 ( 0.899 1.337 2.495) 2.970 11.614 ( 2.597 -3.068 -6.888) 7.975 12.114 ( 1.687 1.348 3.392) 4.021 12.195 ( 1.021 0.158 4.807) 4.916 12.261 ( -0.779 -2.694 4.418) 5.233 12.297 ( 3.847 -2.463 2.143) 5.046 12.400 ( -0.539 2.578 4.164) 4.927 12.466 ( 2.046 0.992 2.382) 3.293 12.685 ( -0.415 0.218 1.902) 1.959 12.771 ( 0.521 -2.118 1.018) 2.407 12.856 ( 1.455 2.254 -0.396) 2.712 12.913 ( 1.282 1.027 -1.274) 2.079 13.028 ( 1.172 -0.560 0.693) 1.472 13.080 ( -0.326 1.322 0.394) 1.417 13.133 ( -0.238 -0.455 0.339) 0.615 13.205 ( -0.725 -3.000 -0.629) 3.150 13.454 ( -3.580 -0.004 -0.799) 3.668 13.477 ( -4.362 0.365 -1.268) 4.557 13.508 ( -4.340 0.912 -3.213) 5.477 13.617 ( -2.512 -1.990 -1.055) 3.374 13.806 ( 3.481 2.491 -2.173) 4.801 13.859 ( 1.277 0.490 -1.345) 1.918 13.922 ( 2.920 -0.737 -2.603) 3.981 13.988 ( 4.367 -1.757 -0.525) 4.737 17.042 ( -0.797 0.251 0.457) 0.952 17.087 ( -0.222 0.351 -0.587) 0.719 17.159 ( -0.045 -0.216 -1.596) 1.611 17.220 ( 0.995 -1.894 -0.545) 2.208 17.279 ( -0.660 -0.266 0.029) 0.712 17.308 ( 0.567 -0.027 -1.038) 1.183 17.410 ( -0.902 1.308 0.731) 1.749 17.437 ( -0.029 1.361 0.389) 1.416 17.627 ( 1.027 -0.452 -3.687) 3.854 17.647 ( -0.053 -0.793 -3.311) 3.405 17.673 ( 4.201 1.360 -1.373) 4.624 17.764 ( 1.005 -0.058 0.142) 1.017 17.772 ( 3.700 -1.336 3.498) 5.264 17.812 ( -0.364 -1.375 1.136) 1.820 17.875 ( 0.716 1.624 -0.539) 1.856 17.948 ( 2.633 -0.837 -1.440) 3.116 18.272 ( -0.649 1.197 1.738) 2.208 18.338 ( 0.499 -0.384 0.355) 0.723 18.457 ( -0.767 -0.326 0.600) 1.027 18.504 ( -0.775 1.461 -0.183) 1.664 18.513 ( 1.355 -0.277 -2.613) 2.956 18.559 ( 0.585 0.597 -1.523) 1.737 18.874 ( -0.560 1.093 1.333) 1.812 18.921 ( 0.134 -0.216 0.349) 0.431 20.202 ( -2.150 2.176 0.316) 3.075 20.458 ( -4.958 -2.342 -2.396) 5.984 20.530 ( 2.477 0.861 8.110) 8.524 20.768 ( 3.640 -9.878 5.268) 11.772 21.525 ( 1.182 1.334 1.925) 2.624 21.724 ( 2.134 -3.384 2.681) 4.816 21.884 ( -0.926 1.273 1.752) 2.355 21.959 ( 0.420 0.098 5.256) 5.273 22.204 ( 0.189 -1.341 0.885) 1.618 22.289 ( 3.641 -2.632 -2.223) 5.013 22.512 ( 0.335 3.483 -5.173) 6.245 22.811 ( -6.647 -3.809 -8.014) 11.087 25.128 ( 1.958 1.117 2.216) 3.161 25.291 ( -3.419 -4.500 6.669) 8.741 25.540 ( -1.896 2.653 -0.556) 3.308 25.717 ( -4.696 -2.103 0.357) 5.158 29.144 ( 1.352 -0.197 -0.710) 1.540 29.150 ( 2.563 -0.276 -0.448) 2.617 29.227 ( 2.188 0.805 -0.777) 2.457 29.264 ( 1.799 0.574 -0.308) 1.913 29.509 ( -2.258 0.658 0.363) 2.380 29.533 ( -1.014 1.334 0.515) 1.753 29.577 ( -0.341 0.559 1.046) 1.234 29.603 ( -2.301 -0.227 -0.130) 2.316 30.964 ( -0.371 2.189 1.834) 2.880 31.112 ( 2.905 -2.094 3.079) 4.723 31.168 ( -1.419 1.828 -1.286) 2.648 31.362 ( -0.571 -3.916 0.473) 3.986 31.667 ( 5.104 0.842 -3.109) 6.035 31.712 ( 0.769 -1.465 -0.546) 1.742 31.949 ( 2.033 5.240 4.178) 7.003 32.058 ( -0.678 -0.090 5.495) 5.537 32.159 ( 4.085 -0.233 9.224) 10.091 32.236 ( 0.721 0.565 -1.000) 1.356 32.461 ( -2.293 10.145 0.456) 10.410 32.674 ( -5.484 1.604 1.613) 5.937 32.858 ( 1.690 1.203 -1.821) 2.760 32.922 ( 3.395 -2.496 -1.443) 4.454 33.149 ( 3.189 -0.879 1.412) 3.597 33.309 ( 2.437 7.006 -4.115) 8.482 33.396 ( -4.908 -1.085 -0.485) 5.050 33.814 ( -19.806 -7.330 -11.826) 24.204 34.284 ( 11.966 0.222 4.394) 12.749 34.386 ( 4.774 -2.849 2.514) 6.101 34.633 ( -4.935 8.693 7.741) 12.643 35.065 ( -9.621 -3.458 3.722) 10.880 35.577 ( 8.597 1.917 -13.809) 16.379 35.925 ( 7.631 -8.755 -16.412) 20.106 106.330 ( -1.010 0.946 -0.553) 1.490 106.360 ( -0.431 0.368 0.062) 0.570 106.372 ( -0.155 -0.062 -0.954) 0.968 106.396 ( -0.147 -0.263 0.151) 0.337 108.393 ( 0.499 1.185 0.190) 1.300 108.432 ( 0.143 0.056 0.445) 0.471 108.474 ( 0.948 -0.531 -0.780) 1.337 108.486 ( -0.430 -0.462 -1.141) 1.304 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 18.108 5.731 12.436) 22.702 1.980 ( 17.545 7.638 13.810) 23.598 2.153 ( 9.370 0.017 7.538) 12.026 2.341 ( 8.318 -0.821 -6.139) 10.370 2.392 ( 8.764 0.963 0.028) 8.817 2.616 ( -0.155 -2.161 3.109) 3.790 2.709 ( 0.839 -0.495 -3.570) 3.700 2.729 ( -3.020 6.474 3.681) 8.036 2.865 ( -3.814 2.276 -4.520) 6.337 2.909 ( -0.726 -3.974 -0.289) 4.051 2.953 ( -2.240 -2.024 14.452) 14.764 3.045 ( -1.834 -2.461 4.860) 5.748 3.180 ( -3.837 -3.065 6.184) 7.896 3.246 ( 2.885 -1.105 8.564) 9.104 3.284 ( -8.644 4.742 14.690) 17.691 3.443 ( -4.949 0.630 -1.002) 5.088 3.475 ( -3.940 8.601 5.592) 10.989 3.521 ( -4.137 0.038 1.233) 4.317 3.603 ( 3.462 3.067 6.999) 8.389 3.731 ( 1.274 4.988 5.758) 7.724 3.805 ( 1.640 -0.503 -4.628) 4.936 3.941 ( -1.441 -3.494 1.078) 3.930 4.045 ( 5.966 -6.908 0.418) 9.137 4.129 ( -2.954 -3.185 -3.832) 5.793 4.197 ( -1.510 -7.686 0.060) 7.833 4.283 ( 5.512 -2.433 4.325) 7.417 4.388 ( 2.822 2.945 3.618) 5.452 4.425 ( -4.390 0.357 -0.236) 4.411 4.562 ( -5.938 -2.684 2.328) 6.920 4.612 ( -1.598 -8.363 8.227) 11.840 4.718 ( 3.338 1.660 -3.229) 4.932 4.798 ( -0.341 2.209 -5.082) 5.552 4.816 ( 3.876 2.889 -3.481) 5.957 4.929 ( 1.948 1.487 0.316) 2.471 4.998 ( 0.388 2.645 4.615) 5.333 5.060 ( -1.097 -1.856 -3.987) 4.532 5.120 ( 6.291 -4.775 -1.000) 7.961 5.208 ( 1.530 -4.060 -3.533) 5.596 5.244 ( -0.507 -2.378 -4.649) 5.246 5.252 ( 6.443 0.272 -8.816) 10.922 5.349 ( 2.025 1.879 -3.716) 4.630 5.396 ( -4.133 2.711 -2.530) 5.553 5.546 ( -2.660 2.617 -0.799) 3.815 5.598 ( -2.143 -0.907 -0.484) 2.377 5.604 ( 1.349 -2.034 -3.940) 4.635 5.752 ( -0.425 1.734 -3.593) 4.012 5.827 ( -9.989 7.965 -4.346) 13.495 5.950 ( -4.443 4.620 -1.328) 6.546 5.990 ( -0.898 2.136 -1.843) 2.961 6.036 ( 1.127 3.507 -2.660) 4.544 6.086 ( -4.416 5.070 -0.575) 6.748 6.212 ( 0.095 -2.214 -1.762) 2.831 6.291 ( -3.741 -2.036 -3.089) 5.262 6.395 ( -4.386 -4.661 -4.790) 7.994 6.465 ( -5.115 -2.131 -5.928) 8.115 6.523 ( 3.498 -2.660 0.499) 4.423 6.554 ( 1.017 0.193 0.351) 1.093 6.642 ( 0.023 -5.668 1.838) 5.959 6.675 ( 3.018 -1.593 -0.649) 3.474 6.831 ( 1.235 -1.657 0.264) 2.083 6.919 ( -1.641 5.289 0.381) 5.551 7.020 ( 3.229 2.971 4.797) 6.502 7.101 ( 3.477 -0.868 0.470) 3.614 7.269 ( -6.594 -0.652 5.409) 8.554 7.442 ( 4.492 0.255 -7.171) 8.466 7.489 ( 1.511 -0.585 -6.750) 6.942 7.559 ( -2.146 0.065 -4.625) 5.099 7.601 ( -7.462 -0.060 -4.862) 8.906 7.908 ( -0.259 3.161 0.235) 3.180 8.073 ( 0.117 0.636 0.291) 0.709 8.166 ( 3.450 -2.095 -1.287) 4.237 8.207 ( -0.059 -1.476 -5.955) 6.135 9.222 ( 0.929 1.795 -0.151) 2.026 9.361 ( 1.418 -1.718 0.257) 2.243 9.517 ( 1.191 2.034 0.751) 2.474 9.664 ( 0.929 -1.842 -0.842) 2.228 9.812 ( 1.804 -0.262 5.540) 5.832 9.835 ( 2.231 0.162 4.831) 5.324 9.997 ( 2.186 1.595 6.531) 7.070 10.092 ( -3.862 -0.474 2.364) 4.553 10.213 ( -2.040 2.965 1.620) 3.947 10.352 ( -1.674 -0.509 -2.413) 2.981 10.397 ( 0.278 0.296 -7.261) 7.272 10.515 ( -2.019 -2.695 1.537) 3.701 10.773 ( 2.460 -0.443 -3.544) 4.336 10.805 ( 0.109 -1.891 -2.920) 3.481 10.914 ( -4.014 3.930 -7.436) 9.319 11.201 ( -5.835 -4.551 -0.312) 7.406 11.517 ( 1.200 0.012 2.014) 2.345 11.586 ( 0.607 -1.705 -1.702) 2.485 12.201 ( 2.952 0.641 4.800) 5.671 12.267 ( 0.807 0.340 3.877) 3.974 12.308 ( -0.626 -1.996 4.104) 4.606 12.371 ( 3.849 -3.286 0.476) 5.083 12.451 ( -0.721 2.424 4.667) 5.308 12.526 ( 1.830 2.424 2.104) 3.695 12.694 ( -0.493 0.027 0.593) 0.772 12.792 ( 0.081 -1.318 1.729) 2.176 12.883 ( 1.849 1.068 -0.054) 2.136 12.899 ( -1.805 0.895 0.462) 2.067 13.040 ( 1.520 -0.831 -0.620) 1.840 13.113 ( 1.421 -0.203 -0.285) 1.464 13.127 ( 0.285 0.050 0.036) 0.291 13.189 ( -0.274 -3.166 -0.262) 3.189 13.392 ( -3.222 1.748 -1.271) 3.880 13.413 ( -2.977 0.156 -0.805) 3.088 13.432 ( -1.899 0.203 -0.929) 2.124 13.573 ( -2.281 -2.789 -0.476) 3.634 13.814 ( 1.885 3.375 -2.281) 4.488 13.853 ( 0.970 0.775 -1.865) 2.241 13.923 ( 1.774 -0.813 -2.330) 3.039 14.021 ( 2.300 -2.160 -1.331) 3.424 17.047 ( 0.299 -0.230 0.333) 0.503 17.089 ( 0.397 -0.392 0.491) 0.743 17.147 ( 0.680 1.467 -0.803) 1.806 17.216 ( -0.184 -0.369 -0.941) 1.027 17.281 ( 0.627 -0.405 -0.098) 0.753 17.307 ( 0.598 -0.577 0.145) 0.844 17.373 ( -2.186 1.409 -1.018) 2.793 17.463 ( 0.770 0.224 1.127) 1.383 17.547 ( -3.395 0.141 -5.265) 6.267 17.578 ( -0.959 -0.586 -5.159) 5.280 17.690 ( 1.469 1.262 -1.174) 2.265 17.775 ( 0.761 -0.597 -0.147) 0.979 17.816 ( 0.374 -0.197 0.674) 0.796 17.836 ( 0.060 -0.787 1.042) 1.307 17.927 ( 4.384 0.692 1.325) 4.632 17.966 ( 1.256 -0.524 -0.272) 1.388 18.294 ( -0.022 1.163 2.235) 2.519 18.348 ( 0.595 -0.197 -0.012) 0.627 18.455 ( -1.043 -0.455 1.028) 1.533 18.488 ( 0.195 -0.357 -1.838) 1.882 18.503 ( 1.023 1.478 -1.441) 2.304 18.547 ( 0.370 0.681 -1.098) 1.344 18.889 ( 0.031 0.889 1.400) 1.658 18.922 ( -0.402 -0.013 0.062) 0.407 20.180 ( -1.007 2.191 0.128) 2.415 20.355 ( -5.072 -1.437 -2.163) 5.698 20.674 ( 2.757 0.691 7.632) 8.144 20.846 ( 1.018 -4.631 2.673) 5.443 21.566 ( 1.089 1.795 1.606) 2.644 21.788 ( 1.646 -4.431 2.285) 5.250 21.911 ( 1.581 2.750 2.552) 4.071 22.046 ( 0.817 -0.660 6.963) 7.042 22.205 ( -0.701 -0.200 -0.823) 1.100 22.257 ( -1.323 1.286 -3.406) 3.873 22.486 ( 1.886 -1.479 -1.977) 3.107 22.593 ( -7.102 -2.580 -10.131) 12.639 25.187 ( 2.348 1.018 1.976) 3.233 25.317 ( -2.339 -2.869 3.817) 5.317 25.510 ( -1.022 1.892 -0.640) 2.244 25.649 ( -5.167 -1.883 0.165) 5.502 29.156 ( 1.694 0.263 -0.727) 1.862 29.179 ( 1.575 0.837 0.144) 1.790 29.253 ( 2.640 -0.509 -0.535) 2.741 29.285 ( 1.588 0.242 -0.172) 1.615 29.479 ( -2.495 0.654 0.399) 2.610 29.526 ( -1.192 -0.016 0.299) 1.229 29.567 ( -2.106 0.666 0.282) 2.226 29.590 ( -0.003 0.301 0.807) 0.862 30.994 ( 0.559 2.657 2.256) 3.530 31.089 ( -2.087 1.362 -1.411) 2.863 31.280 ( 6.864 -2.512 6.444) 9.744 31.367 ( -0.466 -3.226 1.753) 3.701 31.685 ( 3.172 -0.064 -3.054) 4.404 31.716 ( 0.387 -0.473 0.195) 0.641 31.979 ( -1.100 1.338 -0.224) 1.747 32.142 ( -1.126 1.463 0.406) 1.890 32.203 ( 1.581 2.362 3.634) 4.613 32.327 ( -1.347 2.932 6.530) 7.284 32.468 ( 1.374 2.272 2.906) 3.936 32.618 ( -2.072 3.847 0.826) 4.447 32.868 ( 2.454 0.441 -1.002) 2.687 32.971 ( 4.523 -2.913 -1.079) 5.487 33.213 ( 2.914 -1.972 -0.294) 3.530 33.245 ( -6.314 -4.200 -5.603) 9.429 33.338 ( -0.866 4.091 -1.039) 4.309 33.462 ( -8.440 1.722 -6.069) 10.538 34.438 ( 5.308 -3.039 0.282) 6.123 34.540 ( 8.889 0.069 2.150) 9.146 34.741 ( 0.907 1.424 13.885) 13.987 34.948 ( -11.669 -2.635 5.495) 13.164 35.487 ( 5.870 2.681 -16.703) 17.907 35.767 ( -0.117 -4.694 -14.965) 15.685 106.312 ( -0.680 0.756 -0.423) 1.102 106.355 ( -0.280 0.533 -0.044) 0.604 106.359 ( -0.387 -0.436 -0.360) 0.685 106.397 ( -0.096 -0.421 0.170) 0.464 108.405 ( 0.664 0.666 0.303) 0.988 108.438 ( -0.023 -0.067 0.327) 0.335 108.465 ( -0.457 -0.089 -0.981) 1.086 108.478 ( 0.793 -0.351 -0.633) 1.074 ======================= Grid point 13 (10/84) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 14.756 -0.405 10.618) 18.184 2.211 ( 1.198 -5.523 4.431) 7.181 2.295 ( -2.384 2.873 -4.041) 5.502 2.416 ( 12.205 7.419 -4.436) 14.956 2.504 ( 2.208 3.148 5.323) 6.567 2.636 ( -4.711 7.670 -0.375) 9.009 2.669 ( 6.389 2.667 -3.512) 7.763 2.714 ( 5.923 2.146 -1.822) 6.558 2.783 ( 0.777 0.025 -1.335) 1.545 2.850 ( -8.195 0.706 1.940) 8.451 2.926 ( -11.204 1.967 4.463) 12.220 3.086 ( -6.799 2.273 3.004) 7.773 3.208 ( -9.136 -0.760 -0.976) 9.219 3.277 ( 4.953 -4.945 2.250) 7.351 3.396 ( -0.580 -0.196 3.768) 3.818 3.440 ( 5.922 -0.489 12.837) 14.145 3.476 ( 0.832 -0.271 -5.295) 5.366 3.570 ( 1.216 -1.431 7.703) 7.928 3.697 ( -5.578 2.126 -4.274) 7.342 3.801 ( 4.335 -3.640 2.043) 6.018 3.863 ( 3.546 -1.102 3.413) 5.043 3.945 ( -7.313 -6.942 1.909) 10.262 4.002 ( 1.497 4.052 1.571) 4.596 4.112 ( 0.494 0.154 -3.699) 3.735 4.181 ( 4.575 -8.099 -0.285) 9.306 4.344 ( -2.663 4.471 2.610) 5.822 4.396 ( -3.000 6.301 -2.031) 7.268 4.455 ( -2.609 1.040 8.357) 8.817 4.477 ( 2.454 -6.855 -7.333) 10.334 4.658 ( -1.106 -3.698 3.661) 5.320 4.716 ( 1.377 -0.523 -4.003) 4.265 4.808 ( 2.344 -1.659 4.708) 5.515 4.869 ( 3.920 -0.115 -2.483) 4.642 4.937 ( 3.107 1.366 -2.764) 4.377 4.959 ( -3.604 2.221 -0.683) 4.288 4.999 ( -2.905 3.141 -4.262) 6.039 5.159 ( 4.634 -3.022 -6.661) 8.659 5.180 ( -2.715 -3.362 -0.541) 4.355 5.210 ( 0.495 -4.167 -0.316) 4.208 5.302 ( 10.324 -5.499 1.999) 11.867 5.378 ( 2.851 -1.601 2.275) 3.984 5.392 ( 1.151 2.967 2.944) 4.335 5.466 ( -3.420 0.240 -1.619) 3.792 5.533 ( -6.571 -4.198 -3.693) 8.627 5.596 ( -2.100 2.718 -2.463) 4.227 5.702 ( -0.191 5.436 -1.821) 5.736 5.724 ( 3.318 0.003 2.369) 4.076 5.854 ( -6.584 2.780 -2.252) 7.493 5.959 ( 0.920 7.797 -1.322) 7.961 6.023 ( -1.949 8.070 1.429) 8.424 6.075 ( -0.046 4.741 1.084) 4.864 6.135 ( -3.401 -2.813 -2.434) 5.040 6.184 ( -6.273 0.121 -7.757) 9.976 6.242 ( -0.816 -3.113 -0.381) 3.241 6.396 ( -0.121 -4.329 -1.376) 4.544 6.508 ( -0.246 0.909 -1.902) 2.122 6.628 ( 2.116 0.427 -0.214) 2.169 6.690 ( 2.695 -5.241 2.206) 6.293 6.730 ( 2.102 -2.573 1.486) 3.640 6.807 ( -1.430 2.657 -0.711) 3.100 6.988 ( 2.553 -0.316 4.640) 5.305 7.089 ( 1.222 4.503 -0.919) 4.756 7.168 ( 3.971 -1.699 2.096) 4.801 7.259 ( -4.574 -2.064 4.433) 6.696 7.394 ( -1.056 -0.904 -4.104) 4.333 7.420 ( 1.141 -0.737 -5.711) 5.871 7.467 ( -2.784 1.688 -1.772) 3.707 7.489 ( -1.266 0.338 -2.036) 2.421 7.909 ( -0.223 2.811 0.338) 2.840 8.077 ( -0.003 0.115 0.467) 0.481 8.141 ( -0.164 -0.658 -3.119) 3.192 8.190 ( 1.053 -3.466 -0.303) 3.635 9.234 ( 0.473 1.951 0.124) 2.012 9.378 ( 0.597 -1.820 0.069) 1.916 9.533 ( 0.431 2.097 0.078) 2.142 9.656 ( 0.099 -0.876 -0.855) 1.228 9.899 ( 1.175 -0.158 3.491) 3.687 9.949 ( 3.814 -0.917 4.992) 6.349 10.041 ( -2.191 -0.083 -0.006) 2.193 10.066 ( -2.745 -0.263 1.639) 3.208 10.207 ( -0.452 4.324 0.230) 4.353 10.297 ( 0.006 0.071 -3.005) 3.006 10.308 ( 0.172 0.280 -5.089) 5.100 10.521 ( -0.615 -3.448 1.293) 3.734 10.766 ( -0.157 0.154 -1.602) 1.617 10.769 ( -0.154 0.009 -0.458) 0.483 10.823 ( -0.012 2.542 -2.680) 3.694 11.149 ( -2.064 -5.616 0.420) 5.998 11.549 ( 0.526 -0.400 0.975) 1.178 11.579 ( -0.035 -1.287 -0.162) 1.297 12.294 ( 1.720 0.140 2.786) 3.277 12.308 ( 0.741 0.858 0.790) 1.382 12.340 ( -0.943 -0.114 2.810) 2.966 12.409 ( 1.742 -3.483 -0.945) 4.007 12.490 ( -0.483 1.349 2.300) 2.710 12.557 ( 0.609 2.451 0.112) 2.528 12.692 ( -0.181 0.090 -0.038) 0.205 12.820 ( 1.386 -1.345 0.598) 2.022 12.861 ( -3.016 0.603 1.480) 3.413 12.922 ( 1.457 -0.423 -0.110) 1.521 13.057 ( 0.859 -0.750 0.592) 1.285 13.086 ( -0.173 -1.039 -2.149) 2.393 13.138 ( -0.005 0.818 -0.586) 1.006 13.201 ( 0.954 -1.993 0.522) 2.270 13.346 ( -1.459 1.940 -0.405) 2.461 13.381 ( -0.829 0.675 -0.035) 1.070 13.415 ( -0.474 -0.571 0.119) 0.751 13.544 ( -1.047 -3.073 -0.142) 3.250 13.807 ( 0.470 3.675 -1.063) 3.854 13.843 ( 0.340 0.975 -0.925) 1.386 13.917 ( 0.559 -0.870 -0.937) 1.396 14.026 ( 0.648 -2.371 -0.717) 2.560 17.049 ( -0.159 -1.119 -0.066) 1.132 17.103 ( 0.414 -1.165 0.452) 1.317 17.157 ( 1.053 3.046 -0.010) 3.223 17.199 ( -0.629 0.661 -0.527) 1.054 17.286 ( 0.493 0.778 0.055) 0.922 17.313 ( -0.544 1.194 -0.595) 1.440 17.367 ( 1.095 -1.048 1.805) 2.357 17.447 ( -1.925 0.636 -2.418) 3.155 17.470 ( -0.816 -1.487 -1.487) 2.256 17.502 ( -0.949 -0.328 -2.251) 2.464 17.694 ( 0.528 1.098 -0.325) 1.261 17.782 ( 0.312 -0.864 -0.047) 0.920 17.826 ( 0.243 0.406 0.202) 0.514 17.844 ( -0.061 -0.145 0.321) 0.358 17.975 ( 0.338 -0.399 -0.038) 0.525 17.982 ( 1.604 -0.619 0.421) 1.770 18.321 ( 0.013 0.813 1.534) 1.736 18.352 ( 0.342 0.064 -0.391) 0.524 18.452 ( -0.950 -0.454 0.795) 1.319 18.470 ( 0.628 -0.517 -1.478) 1.687 18.500 ( 0.345 1.545 -0.468) 1.651 18.543 ( 0.181 0.686 -0.291) 0.767 18.905 ( 0.169 0.731 0.663) 1.001 18.916 ( -0.310 0.410 -0.074) 0.519 20.182 ( 0.724 1.300 0.305) 1.519 20.272 ( -2.995 -0.600 -1.108) 3.249 20.779 ( 1.252 0.467 3.352) 3.609 20.874 ( 0.147 -2.421 0.636) 2.507 21.592 ( 0.435 2.348 0.602) 2.463 21.817 ( 0.227 -3.478 0.508) 3.522 22.002 ( 4.093 2.039 4.540) 6.444 22.128 ( -3.461 1.260 -5.031) 6.235 22.155 ( 1.215 -2.572 6.419) 7.021 22.236 ( 0.250 0.327 1.500) 1.556 22.375 ( -4.782 -0.177 -9.388) 10.537 22.493 ( 0.812 -2.678 -0.434) 2.832 25.235 ( 1.374 0.809 0.787) 1.777 25.325 ( -1.142 -1.630 1.308) 2.381 25.499 ( 0.284 0.855 -0.317) 0.955 25.590 ( -2.845 -1.492 0.022) 3.212 29.169 ( 0.873 1.067 -0.290) 1.409 29.195 ( 0.398 1.184 0.119) 1.255 29.280 ( 1.363 -0.615 -0.160) 1.504 29.300 ( 0.733 -0.899 -0.137) 1.168 29.455 ( -1.300 0.694 0.212) 1.489 29.508 ( -0.947 -0.979 -0.078) 1.364 29.554 ( -0.537 1.501 0.305) 1.623 29.599 ( 0.068 -0.041 0.339) 0.348 31.025 ( 0.410 2.792 1.050) 3.011 31.056 ( -0.760 1.906 -0.527) 2.118 31.365 ( 0.331 -2.298 0.336) 2.345 31.489 ( 5.229 -5.585 7.287) 10.566 31.685 ( 0.887 -0.130 -1.135) 1.447 31.726 ( 0.769 -0.176 -0.197) 0.813 31.921 ( -2.846 2.273 -4.098) 5.483 32.055 ( -2.645 -1.904 -2.590) 4.162 32.297 ( 0.078 9.617 2.410) 9.915 32.351 ( -0.364 2.496 3.341) 4.186 32.499 ( -0.475 -2.151 0.347) 2.230 32.653 ( 1.455 0.320 1.764) 2.308 32.902 ( 2.755 -1.038 0.551) 2.995 32.996 ( 0.215 -3.677 -1.950) 4.168 33.089 ( -3.683 -1.008 -1.364) 4.055 33.215 ( 0.313 1.609 -1.361) 2.130 33.335 ( 0.014 3.904 1.204) 4.085 33.380 ( -0.282 3.350 -2.439) 4.153 34.500 ( 2.665 -6.128 1.299) 6.808 34.579 ( -0.966 -3.239 -3.008) 4.524 34.880 ( -1.113 -0.147 7.236) 7.322 35.056 ( 3.684 1.555 16.319) 16.802 35.308 ( 0.133 1.692 -17.417) 17.500 35.583 ( -1.966 -2.243 -8.408) 8.921 106.301 ( -0.247 0.679 -0.160) 0.740 106.352 ( -0.058 0.652 -0.073) 0.659 106.352 ( -0.222 -0.623 -0.044) 0.663 106.397 ( -0.029 -0.481 0.075) 0.488 108.418 ( 0.524 0.233 0.325) 0.659 108.436 ( -0.317 -0.343 -0.283) 0.547 108.452 ( -0.152 0.543 -0.187) 0.594 108.480 ( 0.322 -0.278 -0.231) 0.484 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.000 25.445 0.000) 25.445 1.308 ( 0.000 32.172 0.000) 32.172 1.428 ( 0.000 -15.373 0.000) 15.373 1.753 ( 0.000 -2.119 0.000) 2.119 1.921 ( 0.000 17.127 0.000) 17.127 2.387 ( 0.000 -14.177 0.000) 14.177 2.449 ( 0.000 -3.066 0.000) 3.066 2.591 ( 0.000 -19.945 0.000) 19.945 2.771 ( 0.000 4.204 0.000) 4.204 2.856 ( 0.000 -4.236 0.000) 4.236 2.977 ( 0.000 5.191 0.000) 5.191 3.023 ( 0.000 -1.553 0.000) 1.553 3.070 ( 0.000 8.285 0.000) 8.285 3.193 ( 0.000 8.055 0.000) 8.055 3.264 ( 0.000 -6.647 0.000) 6.647 3.286 ( 0.000 -7.880 0.000) 7.880 3.534 ( 0.000 5.413 0.000) 5.413 3.594 ( 0.000 -3.007 0.000) 3.007 3.601 ( 0.000 -0.318 0.000) 0.318 3.659 ( 0.000 -0.219 0.000) 0.219 3.746 ( 0.000 7.434 0.000) 7.434 3.805 ( 0.000 -3.228 0.000) 3.228 3.888 ( 0.000 -3.074 0.000) 3.074 3.959 ( 0.000 -5.352 0.000) 5.352 4.190 ( 0.000 3.303 0.000) 3.303 4.238 ( 0.000 -3.850 0.000) 3.850 4.257 ( 0.000 -5.638 0.000) 5.638 4.302 ( 0.000 -4.769 0.000) 4.769 4.576 ( 0.000 10.178 0.000) 10.178 4.654 ( 0.000 7.143 0.000) 7.143 4.745 ( 0.000 -5.346 0.000) 5.346 4.770 ( 0.000 -2.604 0.000) 2.604 4.842 ( 0.000 7.116 0.000) 7.116 4.853 ( 0.000 4.986 0.000) 4.986 4.968 ( 0.000 10.307 0.000) 10.307 5.068 ( 0.000 -6.377 0.000) 6.377 5.097 ( 0.000 -6.638 0.000) 6.638 5.180 ( 0.000 -11.547 0.000) 11.547 5.296 ( 0.000 5.553 0.000) 5.553 5.345 ( 0.000 1.627 0.000) 1.627 5.479 ( 0.000 0.863 0.000) 0.863 5.501 ( 0.000 -2.288 0.000) 2.288 5.669 ( 0.000 5.638 0.000) 5.638 5.670 ( 0.000 3.286 0.000) 3.286 5.872 ( 0.000 2.125 0.000) 2.125 5.908 ( 0.000 -1.442 0.000) 1.442 5.963 ( 0.000 -0.333 0.000) 0.333 5.995 ( 0.000 -3.720 0.000) 3.720 6.117 ( 0.000 0.949 0.000) 0.949 6.183 ( 0.000 -0.023 0.000) 0.023 6.243 ( 0.000 6.122 0.000) 6.122 6.252 ( 0.000 -2.234 0.000) 2.234 6.321 ( 0.000 -5.361 0.000) 5.361 6.405 ( 0.000 -10.780 0.000) 10.780 6.540 ( 0.000 1.244 0.000) 1.244 6.545 ( 0.000 0.723 0.000) 0.723 6.634 ( 0.000 -2.211 0.000) 2.211 6.639 ( 0.000 -1.949 0.000) 1.949 6.738 ( 0.000 2.308 0.000) 2.308 6.786 ( 0.000 -1.629 0.000) 1.629 6.895 ( 0.000 0.572 0.000) 0.572 6.903 ( 0.000 -0.970 0.000) 0.970 7.411 ( 0.000 11.673 0.000) 11.673 7.539 ( 0.000 4.665 0.000) 4.665 7.550 ( 0.000 -4.502 0.000) 4.502 7.590 ( 0.000 -1.382 0.000) 1.382 7.836 ( 0.000 2.879 0.000) 2.879 7.935 ( 0.000 -5.787 0.000) 5.787 8.047 ( 0.000 2.859 0.000) 2.859 8.080 ( 0.000 -0.239 0.000) 0.239 8.264 ( 0.000 1.614 0.000) 1.614 8.300 ( 0.000 -1.876 0.000) 1.876 9.263 ( 0.000 1.449 0.000) 1.449 9.294 ( 0.000 -1.816 0.000) 1.816 9.402 ( 0.000 1.869 0.000) 1.869 9.437 ( 0.000 -1.864 0.000) 1.864 9.695 ( 0.000 1.293 0.000) 1.293 9.719 ( 0.000 -1.272 0.000) 1.272 9.787 ( 0.000 0.783 0.000) 0.783 9.801 ( 0.000 -0.594 0.000) 0.594 10.160 ( 0.000 3.579 0.000) 3.579 10.250 ( 0.000 -5.983 0.000) 5.983 10.579 ( 0.000 2.862 0.000) 2.862 10.635 ( 0.000 -3.243 0.000) 3.243 10.963 ( 0.000 2.889 0.000) 2.889 11.019 ( 0.000 -2.942 0.000) 2.942 11.076 ( 0.000 4.109 0.000) 4.109 11.151 ( 0.000 -3.886 0.000) 3.886 11.766 ( 0.000 1.075 0.000) 1.075 11.786 ( 0.000 -1.066 0.000) 1.066 12.099 ( 0.000 2.989 0.000) 2.989 12.129 ( 0.000 0.866 0.000) 0.866 12.174 ( 0.000 -1.901 0.000) 1.901 12.178 ( 0.000 -1.335 0.000) 1.335 12.373 ( 0.000 0.202 0.000) 0.202 12.376 ( 0.000 -0.192 0.000) 0.192 12.674 ( 0.000 2.106 0.000) 2.106 12.715 ( 0.000 -2.218 0.000) 2.218 12.876 ( 0.000 2.366 0.000) 2.366 12.910 ( 0.000 -1.055 0.000) 1.055 13.021 ( 0.000 2.136 0.000) 2.136 13.066 ( 0.000 -2.532 0.000) 2.532 13.198 ( 0.000 0.720 0.000) 0.720 13.212 ( 0.000 -0.811 0.000) 0.811 13.567 ( 0.000 1.372 0.000) 1.372 13.587 ( 0.000 -0.581 0.000) 0.581 13.685 ( 0.000 -0.054 0.000) 0.054 13.690 ( 0.000 -0.379 0.000) 0.379 13.765 ( 0.000 0.996 0.000) 0.996 13.793 ( 0.000 -1.935 0.000) 1.935 13.877 ( 0.000 0.993 0.000) 0.993 13.892 ( 0.000 -0.596 0.000) 0.596 17.120 ( 0.000 2.552 0.000) 2.552 17.141 ( 0.000 1.105 0.000) 1.105 17.169 ( 0.000 -1.779 0.000) 1.779 17.171 ( 0.000 -2.802 0.000) 2.802 17.301 ( 0.000 0.277 0.000) 0.277 17.302 ( 0.000 0.156 0.000) 0.156 17.391 ( 0.000 1.461 0.000) 1.461 17.416 ( 0.000 -1.310 0.000) 1.310 17.450 ( 0.000 1.476 0.000) 1.476 17.476 ( 0.000 -1.073 0.000) 1.073 17.662 ( 0.000 0.041 0.000) 0.041 17.666 ( 0.000 -0.448 0.000) 0.448 17.771 ( 0.000 0.664 0.000) 0.664 17.779 ( 0.000 -0.261 0.000) 0.261 17.902 ( 0.000 0.845 0.000) 0.845 17.918 ( 0.000 -0.825 0.000) 0.825 18.284 ( 0.000 1.346 0.000) 1.346 18.308 ( 0.000 -1.140 0.000) 1.140 18.471 ( 0.000 0.473 0.000) 0.473 18.486 ( 0.000 -1.107 0.000) 1.107 18.560 ( 0.000 0.195 0.000) 0.195 18.560 ( 0.000 0.099 0.000) 0.099 18.893 ( 0.000 1.058 0.000) 1.058 18.910 ( 0.000 -0.759 0.000) 0.759 20.170 ( 0.000 0.708 0.000) 0.708 20.188 ( 0.000 -1.297 0.000) 1.297 20.466 ( 0.000 4.072 0.000) 4.072 20.537 ( 0.000 -3.423 0.000) 3.423 21.536 ( 0.000 3.181 0.000) 3.181 21.598 ( 0.000 -3.390 0.000) 3.390 21.879 ( 0.000 0.304 0.000) 0.304 21.881 ( 0.000 0.078 0.000) 0.078 22.101 ( 0.000 1.920 0.000) 1.920 22.144 ( 0.000 -2.626 0.000) 2.626 22.773 ( 0.000 7.352 0.000) 7.352 22.911 ( 0.000 -7.329 0.000) 7.329 25.091 ( 0.000 1.798 0.000) 1.798 25.130 ( 0.000 -2.346 0.000) 2.346 25.650 ( 0.000 4.231 0.000) 4.231 25.727 ( 0.000 -3.864 0.000) 3.864 29.101 ( 0.000 0.412 0.000) 0.412 29.116 ( 0.000 -1.211 0.000) 1.211 29.242 ( 0.000 0.765 0.000) 0.765 29.249 ( 0.000 0.056 0.000) 0.056 29.546 ( 0.000 0.487 0.000) 0.487 29.557 ( 0.000 -0.672 0.000) 0.672 29.597 ( 0.000 1.700 0.000) 1.700 29.626 ( 0.000 -1.322 0.000) 1.322 30.977 ( 0.000 -0.017 0.000) 0.017 30.981 ( 0.000 -0.504 0.000) 0.504 31.311 ( 0.000 2.175 0.000) 2.175 31.354 ( 0.000 -2.326 0.000) 2.326 31.635 ( 0.000 2.140 0.000) 2.140 31.673 ( 0.000 -1.884 0.000) 1.884 31.878 ( 0.000 1.573 0.000) 1.573 31.905 ( 0.000 -1.247 0.000) 1.247 32.086 ( 0.000 2.281 0.000) 2.281 32.144 ( 0.000 -3.957 0.000) 3.957 32.596 ( 0.000 2.960 0.000) 2.960 32.630 ( 0.000 -0.304 0.000) 0.304 32.881 ( 0.000 1.495 0.000) 1.495 32.906 ( 0.000 -1.142 0.000) 1.142 33.281 ( 0.000 4.383 0.000) 4.383 33.336 ( 0.000 -0.688 0.000) 0.688 33.833 ( 0.000 1.487 0.000) 1.487 33.947 ( 0.000 -10.205 0.000) 10.205 34.314 ( 0.000 6.227 0.000) 6.227 34.427 ( 0.000 -5.278 0.000) 5.278 34.919 ( 0.000 2.973 0.000) 2.973 34.934 ( 0.000 1.347 0.000) 1.347 35.610 ( 0.000 0.016 0.000) 0.016 35.622 ( 0.000 -1.239 0.000) 1.239 106.366 ( 0.000 0.115 0.000) 0.115 106.368 ( 0.000 -0.040 0.000) 0.040 106.404 ( 0.000 0.489 0.000) 0.489 106.414 ( 0.000 -0.553 0.000) 0.553 108.416 ( 0.000 -0.031 0.000) 0.031 108.416 ( 0.000 -0.054 0.000) 0.054 108.472 ( 0.000 1.188 0.000) 1.188 108.494 ( 0.000 -1.086 0.000) 1.086 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 11.282 21.463 10.450) 26.404 1.415 ( 6.259 27.723 13.520) 31.473 1.560 ( 8.646 -15.441 7.482) 19.213 1.855 ( 6.095 -12.865 8.149) 16.403 2.008 ( 10.383 22.314 2.157) 24.706 2.349 ( -2.655 -12.279 1.084) 12.609 2.565 ( 7.131 -0.788 7.751) 10.562 2.717 ( 8.010 -9.473 -1.296) 12.473 2.801 ( 2.792 -3.849 6.524) 8.073 2.846 ( -4.802 -2.438 3.301) 6.316 2.922 ( 0.217 4.376 -4.038) 5.958 2.997 ( 0.470 -3.468 -1.832) 3.950 3.059 ( -2.190 6.340 1.176) 6.810 3.222 ( -2.801 -6.525 0.206) 7.104 3.244 ( 0.113 8.160 5.693) 9.950 3.375 ( 7.101 -1.048 1.234) 7.284 3.492 ( -8.252 2.275 0.530) 8.576 3.537 ( -1.671 -2.204 -1.099) 2.976 3.653 ( 4.244 0.517 1.798) 4.638 3.726 ( 1.442 -0.473 0.644) 1.648 3.785 ( -0.375 4.997 3.037) 5.859 3.848 ( 1.009 -2.333 5.695) 6.236 3.871 ( -2.359 -0.992 5.541) 6.103 3.999 ( 0.448 -10.405 4.514) 11.351 4.139 ( -6.975 0.694 -2.430) 7.418 4.227 ( 0.401 2.548 4.542) 5.224 4.239 ( -2.849 -4.485 -3.201) 6.203 4.324 ( 2.286 -5.244 0.744) 5.769 4.591 ( 0.924 6.026 1.251) 6.223 4.685 ( -3.918 -0.760 -0.968) 4.107 4.719 ( 1.495 1.728 2.607) 3.466 4.741 ( 1.438 1.243 -1.539) 2.446 4.858 ( -2.583 6.073 3.044) 7.268 4.908 ( 4.114 3.629 2.376) 5.978 4.997 ( -3.960 1.368 3.188) 5.265 5.065 ( 2.680 -3.511 -2.709) 5.182 5.105 ( -1.519 -3.237 0.708) 3.645 5.164 ( -1.920 -0.909 -3.207) 3.847 5.232 ( 4.070 -3.146 -2.392) 5.673 5.263 ( -3.114 -3.248 -2.567) 5.181 5.544 ( 5.051 3.807 -1.138) 6.426 5.580 ( 5.792 0.449 -1.760) 6.070 5.674 ( -1.171 7.764 0.041) 7.852 5.689 ( 3.789 4.814 -1.422) 6.289 5.828 ( -6.603 1.887 -1.387) 7.006 5.897 ( 4.637 -5.522 -3.742) 8.124 5.935 ( -1.252 0.843 -1.888) 2.417 6.018 ( -0.144 -6.930 1.280) 7.049 6.081 ( -1.454 1.401 -1.604) 2.579 6.147 ( 0.857 -1.129 -6.292) 6.450 6.185 ( -6.918 -2.837 0.621) 7.503 6.248 ( -0.703 -2.462 -5.054) 5.665 6.274 ( 1.498 3.860 -1.041) 4.270 6.412 ( 3.042 -6.685 -2.879) 7.889 6.490 ( -1.768 0.889 -3.232) 3.790 6.509 ( -0.284 -2.165 -1.536) 2.670 6.616 ( -3.571 0.621 0.757) 3.703 6.656 ( -1.522 -3.542 1.340) 4.081 6.781 ( 1.992 1.699 2.715) 3.771 6.802 ( 0.006 0.757 0.974) 1.234 6.908 ( 0.463 0.667 0.304) 0.867 6.925 ( 2.517 -1.668 -0.703) 3.101 7.330 ( -6.247 10.628 -4.388) 13.086 7.472 ( -7.113 -4.788 -5.933) 10.427 7.513 ( -0.567 3.720 -2.114) 4.316 7.560 ( -0.722 -1.861 -1.868) 2.734 7.790 ( -4.717 1.912 -1.312) 5.256 7.850 ( -6.368 -3.426 -3.039) 7.844 8.031 ( -0.455 3.729 -1.701) 4.123 8.075 ( -1.421 -0.697 0.920) 1.831 8.202 ( 3.374 4.991 -8.816) 10.678 8.278 ( 1.825 -3.264 -5.091) 6.317 9.260 ( 0.638 1.895 -1.142) 2.303 9.297 ( 1.090 -1.931 -0.947) 2.411 9.444 ( 1.161 2.146 4.262) 4.912 9.487 ( 1.238 -2.557 4.841) 5.614 9.722 ( 0.985 1.012 1.836) 2.316 9.735 ( 0.866 -0.474 0.613) 1.162 9.817 ( 1.904 4.972 5.222) 7.458 9.919 ( 2.083 -6.392 10.667) 12.609 10.181 ( 0.226 3.583 2.920) 4.628 10.266 ( -0.493 -5.405 2.822) 6.117 10.561 ( -1.896 2.375 -0.760) 3.132 10.607 ( -2.859 -2.636 -1.131) 4.050 10.851 ( -0.548 1.950 -9.012) 9.236 10.888 ( 0.149 -1.617 -10.470) 10.595 11.212 ( 2.307 2.049 5.369) 6.192 11.253 ( 2.834 -2.577 6.155) 7.249 11.634 ( -8.046 2.756 -7.995) 11.673 11.675 ( -3.483 -1.914 -9.866) 10.636 12.113 ( 0.453 2.987 1.362) 3.314 12.157 ( 0.793 1.593 2.995) 3.483 12.172 ( -0.419 -2.763 0.993) 2.966 12.195 ( 0.274 -1.954 2.631) 3.289 12.391 ( 0.252 0.878 2.690) 2.841 12.403 ( 1.652 -0.558 2.166) 2.781 12.682 ( 0.001 1.750 1.212) 2.128 12.719 ( 0.122 -2.091 0.460) 2.144 12.881 ( 1.246 2.090 -0.590) 2.503 12.912 ( 1.396 -1.045 -1.020) 2.020 13.026 ( 0.640 2.485 0.391) 2.596 13.074 ( 0.270 -2.376 0.949) 2.572 13.164 ( -1.993 1.414 -1.843) 3.060 13.191 ( -1.399 -1.570 -1.426) 2.540 13.527 ( -4.130 0.973 -0.643) 4.291 13.545 ( -4.316 -0.840 -0.697) 4.451 13.628 ( -3.763 0.922 -2.663) 4.702 13.647 ( -2.872 -1.070 -2.006) 3.663 13.805 ( 4.241 1.883 -0.153) 4.643 13.839 ( 3.155 -1.575 0.549) 3.569 13.893 ( 3.270 0.296 -1.315) 3.537 13.906 ( 2.774 -0.838 -0.940) 3.046 17.080 ( -1.636 1.944 -0.792) 2.661 17.115 ( -1.524 -1.124 -1.894) 2.679 17.161 ( 0.239 -0.519 -0.184) 0.600 17.173 ( 0.470 -1.375 -1.027) 1.779 17.298 ( -0.438 0.490 -0.250) 0.703 17.307 ( 0.314 -0.443 -0.510) 0.745 17.419 ( 1.169 2.099 1.079) 2.633 17.450 ( 0.365 -1.115 0.333) 1.220 17.545 ( 8.753 1.691 3.586) 9.609 17.587 ( 8.494 -2.884 3.502) 9.630 17.662 ( 1.105 0.249 -0.911) 1.453 17.671 ( 1.033 -0.881 -0.410) 1.418 17.766 ( -0.670 0.833 0.337) 1.121 17.779 ( -0.779 -0.690 0.903) 1.378 17.901 ( 0.796 1.017 -1.000) 1.633 17.919 ( 1.611 -0.901 -1.424) 2.332 18.287 ( -0.795 1.392 1.404) 2.131 18.312 ( -0.231 -1.172 0.920) 1.508 18.465 ( -0.172 0.732 -0.372) 0.839 18.487 ( 0.096 -1.550 -0.210) 1.567 18.557 ( 0.946 0.949 -1.442) 1.968 18.566 ( 1.230 -0.075 -0.819) 1.479 18.893 ( -0.433 1.144 0.551) 1.342 18.910 ( -0.403 -0.601 0.545) 0.906 20.233 ( 2.140 1.897 3.204) 4.295 20.304 ( 6.985 -6.507 7.298) 12.016 20.474 ( -0.596 2.924 2.815) 4.103 20.526 ( -1.527 -2.641 1.525) 3.411 21.543 ( 0.276 3.465 0.985) 3.613 21.611 ( 0.656 -3.753 1.320) 4.032 21.889 ( -0.670 0.703 2.137) 2.347 21.900 ( -0.069 -0.379 2.860) 2.886 22.144 ( 3.673 0.370 1.258) 3.900 22.169 ( 3.161 -2.096 0.454) 3.820 22.724 ( -3.115 7.356 -3.803) 8.847 22.859 ( -3.676 -7.061 -3.904) 8.866 25.111 ( 0.826 2.063 2.045) 3.020 25.159 ( 0.040 -3.221 3.890) 5.051 25.636 ( -1.827 4.062 -0.175) 4.458 25.710 ( -2.318 -3.772 -0.014) 4.427 29.113 ( 1.864 0.102 -0.295) 1.890 29.122 ( 1.318 -0.878 -0.509) 1.663 29.242 ( 0.580 1.008 -0.466) 1.253 29.253 ( 0.832 -0.111 -0.304) 0.893 29.543 ( -0.846 0.670 0.240) 1.105 29.553 ( -0.641 -0.360 0.148) 0.750 29.594 ( -0.921 1.409 0.656) 1.806 29.618 ( -1.143 -1.057 0.098) 1.560 30.981 ( 0.116 1.127 1.157) 1.620 31.006 ( 1.482 -1.485 1.710) 2.706 31.271 ( -3.105 2.385 -1.673) 4.258 31.321 ( -2.899 -2.909 -0.772) 4.179 31.656 ( 3.666 1.645 -1.441) 4.269 31.683 ( 2.216 -1.215 -1.130) 2.768 31.924 ( 2.474 2.187 4.061) 5.234 31.959 ( 2.865 -1.623 4.568) 5.631 32.101 ( -0.409 3.921 3.011) 4.960 32.179 ( 1.058 -4.195 2.743) 5.122 32.616 ( -0.083 2.503 0.235) 2.515 32.630 ( 0.416 -0.151 2.698) 2.734 32.880 ( 0.545 0.865 -0.764) 1.277 32.897 ( 0.501 -1.144 -1.142) 1.692 33.267 ( -1.007 6.951 -1.222) 7.129 33.372 ( 1.572 -3.090 0.809) 3.560 33.685 ( -10.899 9.073 -11.528) 18.275 33.881 ( -4.910 -11.139 -4.748) 13.066 34.226 ( -5.198 2.930 1.887) 6.258 34.299 ( -7.737 -3.849 -0.287) 8.646 34.878 ( -4.864 9.924 1.238) 11.121 35.010 ( -1.490 -4.604 4.381) 6.528 35.635 ( 8.713 1.968 -7.818) 11.871 35.713 ( 15.546 -7.023 -7.569) 18.663 106.362 ( -0.509 0.340 -0.171) 0.635 106.366 ( -0.506 -0.099 0.263) 0.579 106.398 ( -0.409 0.139 -0.667) 0.795 106.399 ( -0.546 0.034 -1.003) 1.143 108.414 ( 0.116 0.758 -0.047) 0.768 108.423 ( 0.393 -0.320 0.185) 0.539 108.469 ( 0.226 0.736 -0.537) 0.939 108.488 ( -0.223 -1.056 -0.632) 1.251 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 13.976 18.105 7.735) 24.144 1.760 ( 9.315 2.210 11.327) 14.831 1.843 ( 13.652 3.413 17.758) 22.658 2.115 ( 10.033 -11.130 12.484) 19.504 2.218 ( 10.811 6.442 5.354) 13.677 2.356 ( 1.731 -9.987 1.533) 10.251 2.712 ( 5.760 2.218 -4.032) 7.372 2.744 ( 2.245 -0.838 -0.354) 2.422 2.851 ( -1.538 3.168 4.640) 5.825 2.877 ( -4.037 1.962 7.898) 9.084 3.006 ( 7.610 -0.968 4.338) 8.813 3.013 ( -0.527 0.698 -1.111) 1.413 3.093 ( 1.469 -0.948 5.555) 5.824 3.144 ( -3.183 -5.754 -2.531) 7.046 3.379 ( -3.350 7.746 4.459) 9.545 3.410 ( 1.214 6.747 8.050) 10.573 3.505 ( 8.172 0.254 3.120) 8.752 3.513 ( -2.406 -4.766 3.000) 6.124 3.654 ( -4.336 0.831 -1.595) 4.695 3.745 ( 2.433 -5.641 0.962) 6.218 3.775 ( -6.155 4.286 3.331) 8.207 3.902 ( -4.059 -4.686 2.953) 6.866 3.974 ( -0.175 2.381 6.643) 7.059 4.009 ( -5.672 5.991 2.696) 8.679 4.127 ( -0.077 -11.231 6.170) 12.815 4.149 ( 0.969 -5.700 1.819) 6.061 4.293 ( -1.316 -0.108 2.094) 2.475 4.330 ( 2.422 -1.400 -2.904) 4.033 4.585 ( -5.203 0.943 -1.371) 5.463 4.612 ( -2.030 -2.073 1.528) 3.279 4.784 ( 0.430 6.429 2.573) 6.938 4.805 ( 3.910 0.993 2.771) 4.894 4.829 ( -1.742 0.882 1.729) 2.608 4.936 ( -5.041 -4.682 -1.030) 6.956 4.988 ( -1.518 3.168 -0.181) 3.518 5.034 ( 0.867 0.668 1.297) 1.697 5.075 ( 2.146 -0.460 -2.754) 3.522 5.136 ( -1.900 -7.750 -0.843) 8.024 5.242 ( 6.114 -0.735 -7.136) 9.425 5.255 ( 4.919 -1.720 -5.763) 7.770 5.542 ( -0.052 3.291 -6.889) 7.635 5.576 ( 0.227 -0.030 -5.445) 5.450 5.600 ( -3.489 10.422 -3.166) 11.438 5.704 ( -3.940 0.469 -2.885) 4.906 5.713 ( 1.924 9.229 -3.192) 9.953 5.879 ( -0.980 3.927 -4.273) 5.886 5.919 ( 2.669 -8.577 -1.173) 9.059 6.015 ( -0.539 -7.593 -0.479) 7.627 6.069 ( -0.869 1.622 -4.810) 5.150 6.096 ( 1.222 0.002 1.972) 2.320 6.128 ( -2.620 -3.443 0.045) 4.327 6.136 ( -1.097 -2.224 -5.304) 5.855 6.329 ( 5.421 4.465 1.187) 7.123 6.433 ( 3.513 -4.330 -2.367) 6.057 6.446 ( -2.081 3.816 -1.267) 4.527 6.511 ( -0.178 -2.299 1.850) 2.956 6.557 ( -3.798 -0.340 -0.686) 3.874 6.623 ( -1.826 -5.178 -2.777) 6.153 6.732 ( -5.919 2.352 -3.913) 7.475 6.759 ( -5.211 -0.866 -3.717) 6.459 6.943 ( 3.268 2.257 4.191) 5.774 6.980 ( 3.142 -1.838 1.659) 4.000 7.187 ( -4.973 6.590 -4.198) 9.262 7.295 ( -5.997 -4.504 -2.957) 8.062 7.485 ( 2.272 2.446 -4.278) 5.427 7.522 ( 0.588 -1.665 -3.958) 4.334 7.688 ( -4.513 2.286 -3.908) 6.393 7.730 ( -4.870 -1.954 -4.210) 6.727 8.001 ( -1.245 4.569 -0.719) 4.790 8.066 ( -1.086 -2.004 0.609) 2.359 8.160 ( 2.750 3.251 -5.050) 6.606 8.228 ( 0.945 -3.626 -5.451) 6.615 9.257 ( 0.900 2.444 -0.846) 2.739 9.303 ( 1.191 -2.382 -0.480) 2.706 9.516 ( 1.694 2.556 3.170) 4.410 9.568 ( 1.855 -3.088 3.668) 5.141 9.757 ( 1.150 0.620 1.731) 2.169 9.765 ( 1.073 -0.235 2.443) 2.678 9.942 ( 1.845 5.817 7.848) 9.941 10.045 ( -0.978 -4.929 6.535) 8.243 10.235 ( 0.030 2.873 4.556) 5.387 10.302 ( 0.015 -3.931 3.198) 5.068 10.503 ( -2.169 1.711 -3.815) 4.710 10.534 ( -3.440 -1.750 -2.881) 4.816 10.779 ( 2.106 -0.278 -4.285) 4.783 10.792 ( 2.494 -1.437 -6.781) 7.366 11.180 ( -5.996 4.549 -6.149) 9.719 11.257 ( -5.344 -4.055 -5.261) 8.525 11.500 ( -0.239 2.503 -0.316) 2.534 11.554 ( 0.562 -3.233 -3.257) 4.624 12.147 ( 0.652 2.238 3.281) 4.025 12.189 ( -0.364 -1.694 3.757) 4.137 12.227 ( 1.867 0.136 3.569) 4.030 12.253 ( 2.433 -2.132 2.904) 4.347 12.445 ( 0.318 2.071 4.602) 5.057 12.471 ( 1.605 -0.602 4.291) 4.621 12.699 ( -0.170 1.328 1.351) 1.902 12.732 ( 0.276 -2.081 1.128) 2.383 12.895 ( 1.904 1.922 -0.835) 2.832 12.921 ( 2.020 -0.632 -1.637) 2.676 13.046 ( 0.633 2.588 0.309) 2.682 13.091 ( 0.105 -0.818 0.880) 1.206 13.124 ( -0.393 -0.210 -0.428) 0.618 13.144 ( -1.925 -2.703 -1.815) 3.783 13.460 ( -3.779 0.633 -0.475) 3.861 13.473 ( -4.217 -0.613 -0.732) 4.324 13.536 ( -3.871 2.003 -2.875) 5.221 13.576 ( -3.195 -2.290 -2.059) 4.438 13.854 ( 3.555 2.248 -0.999) 4.323 13.871 ( 2.001 0.480 -0.939) 2.262 13.911 ( 2.802 0.149 -2.557) 3.796 13.944 ( 3.779 -2.680 -1.227) 4.792 17.060 ( -0.143 1.510 -0.596) 1.630 17.084 ( -0.154 -0.756 -1.250) 1.469 17.158 ( 0.929 0.381 -0.732) 1.242 17.180 ( 1.501 -2.022 -0.189) 2.525 17.283 ( -0.978 0.580 -0.328) 1.183 17.297 ( -0.474 -0.889 -0.672) 1.211 17.440 ( -0.251 1.399 0.369) 1.469 17.452 ( 0.042 0.145 0.231) 0.276 17.623 ( 0.655 0.096 -3.417) 3.481 17.632 ( 0.265 -0.778 -3.307) 3.408 17.701 ( 4.161 1.634 -0.238) 4.477 17.734 ( 3.742 -1.952 0.748) 4.286 17.775 ( 0.482 0.592 2.065) 2.201 17.789 ( 0.009 -0.986 2.050) 2.275 17.906 ( 2.196 1.658 -0.880) 2.889 17.932 ( 2.690 -1.079 -1.251) 3.157 18.299 ( -0.718 1.588 2.095) 2.725 18.325 ( -0.252 -1.089 1.498) 1.869 18.458 ( -0.186 0.680 -0.318) 0.774 18.481 ( 0.355 -1.582 -1.249) 2.047 18.549 ( 0.929 1.679 -1.849) 2.665 18.565 ( 0.980 -0.147 -1.787) 2.043 18.897 ( -0.450 1.183 1.022) 1.627 18.914 ( -0.236 -0.656 0.672) 0.968 20.267 ( -1.238 4.956 0.469) 5.130 20.376 ( -2.499 -6.212 -0.670) 6.730 20.556 ( 2.583 2.086 7.686) 8.373 20.618 ( 4.481 -5.342 7.615) 10.325 21.573 ( 1.104 3.648 2.048) 4.327 21.649 ( 1.330 -4.415 2.322) 5.162 21.915 ( -0.143 1.924 2.957) 3.531 21.948 ( 0.120 -1.352 4.447) 4.650 22.198 ( 2.143 0.896 0.798) 2.456 22.234 ( 4.258 -2.813 -0.025) 5.103 22.605 ( -4.564 6.031 -5.510) 9.357 22.718 ( -6.071 -5.993 -6.805) 10.912 25.160 ( 1.395 2.306 2.843) 3.917 25.214 ( -0.032 -3.635 4.260) 5.600 25.598 ( -2.882 3.560 -0.368) 4.595 25.665 ( -3.894 -3.459 -0.119) 5.210 29.139 ( 2.299 -0.117 -0.787) 2.433 29.142 ( 2.807 -0.415 -0.367) 2.862 29.249 ( 1.123 1.232 -0.368) 1.707 29.265 ( 1.308 -0.431 -0.195) 1.391 29.526 ( -2.020 1.041 0.250) 2.286 29.541 ( -1.496 -0.452 0.208) 1.576 29.591 ( -0.933 0.743 0.888) 1.487 29.600 ( -1.539 -0.242 0.307) 1.588 31.011 ( 0.618 2.823 2.563) 3.863 31.065 ( 2.078 -2.898 3.106) 4.729 31.213 ( -1.639 3.159 -0.925) 3.677 31.282 ( -1.419 -4.291 0.131) 4.521 31.684 ( 3.117 0.921 -2.014) 3.824 31.698 ( 2.247 -0.587 -1.495) 2.762 32.035 ( 2.638 3.586 4.984) 6.683 32.066 ( 1.922 0.112 5.530) 5.856 32.162 ( 1.524 1.281 6.797) 7.082 32.210 ( -0.069 -2.901 0.711) 2.988 32.612 ( -1.675 5.724 1.846) 6.244 32.686 ( -0.390 -1.851 3.088) 3.621 32.885 ( 2.561 1.500 -1.281) 3.232 32.899 ( 2.420 -0.106 -2.128) 3.225 33.191 ( -5.611 5.733 -2.042) 8.278 33.317 ( -8.489 -6.145 -3.203) 10.958 33.472 ( -0.029 9.091 -5.300) 10.524 33.649 ( -10.365 -9.835 -8.690) 16.724 34.293 ( 8.196 1.380 3.608) 9.061 34.336 ( 6.763 -2.860 3.089) 7.966 34.810 ( -8.404 9.780 3.757) 13.431 34.969 ( -9.845 -7.099 2.889) 12.477 35.638 ( 9.123 4.888 -12.258) 16.043 35.759 ( 9.103 -8.236 -12.486) 17.510 106.347 ( -1.003 0.818 -0.387) 1.351 106.359 ( -0.804 -0.476 0.030) 0.935 106.378 ( -0.238 0.633 -0.827) 1.068 106.389 ( -0.242 -0.522 -0.214) 0.614 108.417 ( 0.312 1.153 -0.035) 1.195 108.431 ( 0.297 -0.329 0.153) 0.469 108.468 ( 0.536 -0.045 -0.515) 0.745 108.474 ( -0.172 -0.657 -0.830) 1.073 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 11.683 10.195 7.920) 17.411 1.969 ( 5.127 -8.367 6.800) 11.938 2.278 ( 16.674 10.255 11.684) 22.797 2.340 ( 12.438 0.844 -5.189) 13.503 2.407 ( 5.349 0.212 6.607) 8.503 2.490 ( 1.546 -8.255 17.022) 18.981 2.739 ( 2.027 4.007 -1.647) 4.783 2.814 ( 0.807 2.632 3.016) 4.083 2.869 ( 6.555 -3.148 -0.677) 7.303 2.918 ( -4.035 -0.543 5.513) 6.854 2.978 ( 0.875 1.777 0.484) 2.039 3.020 ( -0.177 -1.791 -6.500) 6.745 3.095 ( -4.123 3.828 -1.490) 5.820 3.209 ( -1.305 -3.248 9.080) 9.731 3.360 ( -6.670 1.650 8.365) 10.825 3.425 ( -5.284 -5.316 -2.769) 7.990 3.547 ( -4.076 7.401 1.292) 8.547 3.639 ( 0.980 5.276 7.700) 9.386 3.713 ( -3.226 7.269 6.948) 10.560 3.717 ( 2.760 -1.685 -1.356) 3.506 3.827 ( 0.511 -6.996 3.008) 7.632 3.872 ( -1.383 -7.824 2.872) 8.449 3.914 ( 0.693 6.555 2.148) 6.933 4.055 ( 0.327 -7.573 0.773) 7.619 4.172 ( -4.328 6.070 -0.871) 7.506 4.253 ( 4.248 1.274 9.880) 10.830 4.328 ( 0.582 -7.132 -3.552) 7.989 4.355 ( 2.074 -10.363 12.418) 16.306 4.534 ( -5.720 5.449 3.936) 8.826 4.582 ( -2.108 0.012 0.531) 2.174 4.749 ( 0.392 2.331 -3.598) 4.305 4.822 ( -4.699 -2.485 -3.667) 6.458 4.887 ( 2.695 3.554 -0.987) 4.568 4.923 ( 4.664 -1.665 2.542) 5.567 4.973 ( 2.045 -0.604 2.272) 3.116 5.030 ( 3.206 -2.843 -3.219) 5.360 5.051 ( -0.128 -0.433 -4.141) 4.166 5.114 ( -1.113 -5.039 -1.649) 5.418 5.227 ( 3.890 -0.208 -5.729) 6.928 5.238 ( 5.005 -1.036 -8.356) 9.795 5.410 ( -0.494 4.254 -7.747) 8.852 5.491 ( -6.151 7.050 -3.741) 10.076 5.493 ( -0.949 -4.294 -4.791) 6.503 5.604 ( -5.421 -2.112 -2.661) 6.397 5.717 ( 2.017 10.436 -1.180) 10.694 5.810 ( -1.734 3.161 -4.007) 5.390 5.899 ( -6.338 -1.298 -5.624) 8.572 5.958 ( 0.505 -5.484 -0.806) 5.566 6.035 ( -4.466 3.003 2.547) 5.954 6.056 ( 0.563 0.963 2.492) 2.730 6.120 ( 0.599 0.674 -0.129) 0.911 6.175 ( 1.792 -2.998 -2.575) 4.340 6.325 ( -2.084 2.682 -5.646) 6.589 6.372 ( -7.411 2.052 -4.042) 8.688 6.433 ( 2.280 2.963 -3.649) 5.224 6.502 ( -1.792 -3.737 -5.401) 6.808 6.523 ( 0.664 -2.377 1.281) 2.781 6.547 ( 1.533 -3.480 1.444) 4.067 6.666 ( 1.986 1.845 1.830) 3.271 6.744 ( 2.854 -5.603 1.887) 6.565 7.021 ( -0.301 3.092 1.661) 3.523 7.050 ( 2.735 -0.460 4.122) 4.968 7.123 ( -0.150 4.949 0.746) 5.008 7.223 ( -4.110 -4.512 1.643) 6.321 7.453 ( 2.583 0.965 -6.501) 7.061 7.473 ( 2.328 -1.062 -7.166) 7.609 7.571 ( -4.470 1.334 -3.812) 6.025 7.595 ( -5.787 -0.899 -4.391) 7.320 7.985 ( -0.763 4.847 0.359) 4.919 8.065 ( -0.196 -2.843 0.474) 2.889 8.138 ( 0.979 0.406 -2.709) 2.909 8.170 ( -0.324 -2.300 -4.065) 4.681 9.266 ( 1.102 2.796 -0.002) 3.005 9.319 ( 1.243 -2.749 0.144) 3.020 9.564 ( 1.343 2.946 0.944) 3.372 9.619 ( 1.282 -2.890 0.608) 3.219 9.816 ( 1.549 0.622 4.742) 5.027 9.830 ( 1.896 -0.662 4.424) 4.859 10.035 ( -0.415 2.316 4.628) 5.192 10.073 ( -3.063 -1.622 3.190) 4.711 10.280 ( -0.022 3.833 2.463) 4.557 10.333 ( -0.268 -1.735 0.471) 1.818 10.409 ( -0.627 1.312 -7.225) 7.370 10.454 ( -1.215 -3.401 -3.363) 4.935 10.768 ( 1.840 0.077 -1.919) 2.660 10.778 ( 1.367 -1.022 -1.586) 2.330 10.997 ( -4.752 5.062 -7.128) 9.951 11.099 ( -5.069 -5.955 -4.330) 8.939 11.524 ( 0.585 0.894 1.415) 1.773 11.551 ( 0.329 -1.882 0.075) 1.912 12.220 ( 1.992 1.450 4.820) 5.413 12.254 ( 0.835 -2.008 5.266) 5.697 12.293 ( 1.842 0.890 2.282) 3.065 12.321 ( 2.742 -2.101 1.531) 3.778 12.502 ( -0.668 2.756 4.044) 4.939 12.540 ( 0.500 -1.008 3.454) 3.633 12.711 ( -0.071 1.939 0.952) 2.161 12.755 ( 0.199 -2.480 1.857) 3.105 12.907 ( 1.470 1.202 -1.721) 2.563 12.915 ( 0.373 0.469 -1.742) 1.842 13.039 ( -0.240 1.228 -0.203) 1.267 13.084 ( -1.585 -2.932 -1.060) 3.498 13.131 ( 1.738 0.306 0.852) 1.960 13.142 ( 1.533 -1.248 0.476) 2.033 13.415 ( -2.546 0.321 -0.817) 2.693 13.417 ( -2.063 0.152 0.082) 2.070 13.454 ( -3.032 2.645 -1.942) 4.468 13.513 ( -2.638 -3.433 -1.105) 4.469 13.872 ( 1.395 1.401 -1.604) 2.546 13.882 ( 1.549 2.337 -1.041) 2.990 13.908 ( 1.679 0.400 -2.714) 3.216 13.966 ( 2.047 -3.635 -1.670) 4.494 17.055 ( 0.186 0.997 -0.532) 1.146 17.075 ( 0.267 -1.025 -0.423) 1.141 17.174 ( 1.841 1.449 -0.076) 2.344 17.201 ( 1.372 -1.328 -0.371) 1.945 17.276 ( 0.330 0.020 0.558) 0.648 17.286 ( 0.003 -1.056 0.122) 1.063 17.419 ( -1.633 2.702 -0.969) 3.302 17.456 ( -0.338 -1.168 -0.006) 1.216 17.552 ( -2.403 0.492 -4.914) 5.492 17.564 ( -1.539 -0.777 -4.966) 5.256 17.720 ( 1.035 1.928 -0.901) 2.367 17.755 ( 0.729 -1.636 -0.501) 1.860 17.814 ( 0.899 0.130 1.388) 1.659 17.822 ( 0.672 -0.673 1.472) 1.752 17.942 ( 2.980 0.864 -0.039) 3.103 17.956 ( 1.923 -0.607 -0.437) 2.063 18.320 ( -0.436 1.481 2.273) 2.748 18.341 ( -0.060 -0.717 1.253) 1.445 18.452 ( -0.300 0.294 -0.180) 0.457 18.467 ( 0.634 -1.227 -1.856) 2.313 18.539 ( 0.641 1.623 -1.381) 2.226 18.554 ( 0.590 -0.113 -1.352) 1.479 18.907 ( -0.032 0.913 1.042) 1.386 18.919 ( -0.165 -0.364 0.528) 0.662 20.237 ( -2.012 3.875 -0.446) 4.389 20.309 ( -3.845 -3.504 -1.393) 5.385 20.698 ( 2.958 2.065 6.920) 7.804 20.757 ( 2.902 -4.371 5.130) 7.338 21.619 ( 1.335 3.867 2.052) 4.577 21.701 ( 1.441 -4.851 2.277) 5.549 21.964 ( 1.140 2.963 3.744) 4.909 22.016 ( 0.614 -2.492 5.384) 5.964 22.223 ( 0.825 1.882 -0.668) 2.161 22.258 ( 0.758 -1.343 -2.351) 2.812 22.482 ( -3.069 1.537 -3.852) 5.160 22.534 ( -6.109 -3.515 -7.608) 10.371 25.216 ( 1.607 2.040 2.331) 3.490 25.262 ( 0.115 -2.920 2.969) 4.166 25.553 ( -2.586 2.673 -0.469) 3.749 25.604 ( -4.040 -2.826 -0.249) 4.936 29.166 ( 2.626 0.717 -0.580) 2.783 29.180 ( 2.923 -0.653 -0.244) 3.005 29.261 ( 0.999 1.093 -0.223) 1.497 29.280 ( 0.856 -0.768 -0.049) 1.151 29.496 ( -2.375 1.098 0.176) 2.622 29.516 ( -2.132 -0.943 -0.048) 2.332 29.584 ( -1.144 0.879 0.616) 1.569 29.593 ( -0.469 -0.091 0.632) 0.792 31.056 ( 0.620 3.630 2.500) 4.450 31.103 ( -0.686 -0.731 0.571) 1.154 31.248 ( 4.094 0.005 3.940) 5.682 31.292 ( 0.710 -4.098 2.194) 4.702 31.693 ( 1.452 0.869 -1.340) 2.159 31.709 ( 1.449 -0.675 -0.904) 1.836 32.041 ( -1.692 4.629 -2.353) 5.461 32.120 ( -1.725 -3.325 -3.020) 4.812 32.256 ( 2.589 3.085 7.841) 8.815 32.312 ( 2.666 -2.820 8.735) 9.558 32.592 ( -4.839 7.587 0.779) 9.032 32.671 ( -3.885 0.033 0.986) 4.008 32.875 ( 1.170 2.304 -2.377) 3.511 32.943 ( 4.376 -2.118 -1.807) 5.187 33.142 ( -6.082 -3.535 -2.447) 7.449 33.155 ( 0.231 -3.478 0.954) 3.613 33.438 ( 1.036 4.435 -3.075) 5.495 33.479 ( -2.147 -0.256 -4.394) 4.897 34.424 ( 5.822 1.933 -1.469) 6.308 34.494 ( 8.094 -4.491 -0.215) 9.259 34.795 ( -4.459 4.254 10.593) 12.255 34.880 ( -8.223 -4.533 7.657) 12.116 35.560 ( 4.175 5.042 -14.510) 15.918 35.664 ( 2.178 -6.019 -13.611) 15.041 106.329 ( -0.775 1.002 -0.374) 1.321 106.346 ( -0.718 -0.862 -0.201) 1.140 106.370 ( -0.105 0.880 -0.207) 0.910 106.385 ( -0.111 -0.772 0.003) 0.780 108.420 ( 0.294 0.869 -0.058) 0.919 108.434 ( 0.027 -0.505 -0.094) 0.514 108.465 ( 0.043 0.150 -0.458) 0.484 108.470 ( 0.548 -0.420 -0.336) 0.768 ======================= Grid point 22 (15/84) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 5.604 0.160 3.876) 6.816 2.066 ( 0.002 -7.544 2.375) 7.909 2.425 ( 5.722 7.793 0.851) 9.705 2.522 ( 9.384 -1.314 0.245) 9.478 2.584 ( 2.388 5.459 6.200) 8.599 2.684 ( -1.480 -3.867 0.668) 4.194 2.733 ( 4.652 10.724 1.284) 11.760 2.790 ( 0.354 6.569 -2.023) 6.883 2.924 ( -3.647 1.736 -2.010) 4.511 2.935 ( -2.991 6.419 3.333) 7.828 2.951 ( 1.743 3.039 4.930) 6.048 3.030 ( 0.248 0.595 1.025) 1.211 3.082 ( 2.723 -10.958 2.807) 11.635 3.230 ( -0.367 -8.020 -11.263) 13.831 3.364 ( -3.667 1.420 5.413) 6.691 3.399 ( 0.689 -6.718 4.738) 8.249 3.456 ( -6.239 4.585 5.336) 9.403 3.621 ( -4.372 -1.698 -1.983) 5.092 3.653 ( -4.553 1.918 -1.428) 5.143 3.801 ( 3.128 -1.067 -0.293) 3.318 3.831 ( 0.048 -2.859 -1.846) 3.403 3.855 ( -4.294 -2.402 1.086) 5.039 4.015 ( 2.949 -0.377 3.822) 4.842 4.056 ( 0.977 -1.971 -0.114) 2.203 4.209 ( 3.787 7.107 4.591) 9.270 4.341 ( 2.263 -6.929 1.170) 7.383 4.428 ( -2.524 0.898 5.692) 6.291 4.450 ( -4.528 1.122 5.575) 7.269 4.497 ( 1.231 4.254 -1.475) 4.668 4.603 ( 1.101 -3.029 4.040) 5.168 4.713 ( -0.645 1.236 -0.884) 1.651 4.761 ( -0.077 -3.137 -0.134) 3.141 4.879 ( 3.669 2.179 -4.970) 6.550 4.924 ( -2.138 -1.346 -5.939) 6.454 5.013 ( 0.881 3.030 -0.060) 3.156 5.051 ( 3.905 -1.315 0.023) 4.120 5.071 ( -0.305 -1.947 -1.957) 2.777 5.113 ( 3.718 -7.391 2.839) 8.747 5.192 ( 2.949 0.031 -3.774) 4.789 5.196 ( 1.197 -0.306 -3.996) 4.183 5.375 ( 1.619 2.992 -1.198) 3.607 5.417 ( -0.062 1.853 1.042) 2.127 5.436 ( 0.117 -3.014 -2.444) 3.882 5.485 ( -6.453 -3.777 -2.464) 7.872 5.693 ( -4.352 4.796 -1.320) 6.609 5.738 ( -0.379 0.283 1.298) 1.382 5.806 ( -0.402 6.323 -2.047) 6.658 5.886 ( -5.157 1.296 -3.060) 6.135 6.012 ( -3.611 -3.441 0.063) 4.989 6.048 ( -2.297 -5.212 -2.898) 6.390 6.096 ( -0.996 3.901 -1.183) 4.196 6.187 ( 3.037 -0.191 2.909) 4.210 6.254 ( -2.560 7.836 0.644) 8.269 6.284 ( -0.452 4.222 0.359) 4.262 6.332 ( -0.647 2.378 -7.258) 7.665 6.482 ( 2.761 -7.162 -3.117) 8.285 6.587 ( 1.234 -2.274 2.151) 3.365 6.608 ( 3.003 -2.032 1.534) 3.937 6.720 ( 0.872 2.089 1.089) 2.512 6.794 ( 1.004 -4.306 0.371) 4.437 7.040 ( 0.119 5.298 2.293) 5.774 7.122 ( 1.448 -2.836 2.106) 3.818 7.161 ( 1.127 2.635 1.339) 3.164 7.211 ( -2.480 -2.879 3.299) 5.032 7.388 ( -0.386 0.249 -4.668) 4.690 7.402 ( 1.008 -1.102 -6.049) 6.231 7.490 ( -1.841 0.877 -1.287) 2.412 7.497 ( -1.901 0.238 -1.564) 2.473 7.983 ( -0.268 4.953 0.281) 4.968 8.068 ( 0.073 -2.645 0.018) 2.647 8.121 ( -0.190 -2.055 -0.490) 2.121 8.125 ( -0.223 -1.011 -1.902) 2.166 9.281 ( 0.540 2.928 0.171) 2.982 9.335 ( 0.556 -2.789 0.146) 2.848 9.580 ( 0.428 2.830 -0.067) 2.863 9.628 ( 0.308 -2.152 -0.381) 2.207 9.902 ( 1.478 0.656 3.724) 4.060 9.924 ( 2.311 -1.579 4.108) 4.971 10.048 ( -1.981 0.688 0.506) 2.157 10.060 ( -2.085 -0.497 1.001) 2.366 10.295 ( -1.987 2.014 0.880) 2.963 10.303 ( 0.043 0.454 -1.973) 2.025 10.320 ( 1.437 4.051 -5.567) 7.033 10.431 ( 0.222 -6.004 -0.272) 6.014 10.769 ( 0.271 0.106 -0.934) 0.978 10.769 ( 0.108 0.020 -0.525) 0.536 10.899 ( -1.088 5.652 -2.002) 6.094 11.023 ( -1.619 -7.437 -0.765) 7.649 11.544 ( 0.190 0.030 0.746) 0.770 11.555 ( -0.077 -1.130 0.244) 1.159 12.304 ( 1.271 0.935 3.352) 3.705 12.326 ( 0.181 -1.046 3.129) 3.304 12.329 ( 0.871 1.089 1.094) 1.772 12.358 ( 1.714 -1.994 -1.190) 2.886 12.526 ( -0.679 2.398 1.426) 2.871 12.566 ( -0.255 -1.438 0.692) 1.616 12.720 ( -0.011 2.928 0.360) 2.950 12.779 ( 0.165 -2.993 1.061) 3.180 12.881 ( -0.996 1.493 -0.645) 1.907 12.908 ( 0.526 -1.208 -1.245) 1.813 13.048 ( 0.580 -0.001 0.705) 0.913 13.061 ( -0.305 -1.346 -0.498) 1.468 13.153 ( 0.682 0.819 -0.188) 1.083 13.170 ( 1.179 -1.200 0.219) 1.696 13.380 ( -1.073 1.325 -0.456) 1.765 13.400 ( -0.645 -0.890 -0.003) 1.099 13.412 ( -0.982 2.941 -0.204) 3.107 13.478 ( -1.087 -3.873 -0.246) 4.030 13.866 ( 0.380 1.524 -0.798) 1.762 13.885 ( 0.282 3.941 -0.372) 3.968 13.896 ( 0.615 -0.847 -1.353) 1.711 13.966 ( 0.545 -4.015 -0.823) 4.135 17.049 ( -0.112 0.997 -0.284) 1.043 17.076 ( 0.158 -1.644 -0.080) 1.653 17.195 ( 0.993 1.167 -0.020) 1.532 17.205 ( 0.221 -0.055 -0.322) 0.394 17.302 ( 1.767 0.998 1.623) 2.599 17.323 ( 1.943 -0.993 1.806) 2.832 17.376 ( -1.777 2.744 -1.450) 3.576 17.430 ( -1.941 -2.573 -2.200) 3.902 17.467 ( -1.589 1.079 -2.330) 3.020 17.488 ( -1.135 -1.074 -2.048) 2.576 17.722 ( 0.352 1.859 -0.261) 1.910 17.757 ( 0.262 -1.760 -0.152) 1.786 17.835 ( 0.359 0.418 0.413) 0.689 17.841 ( 0.196 -0.255 0.480) 0.577 17.969 ( 0.670 -0.107 -0.190) 0.704 17.972 ( 1.007 -0.376 0.081) 1.078 18.340 ( -0.206 1.049 1.263) 1.655 18.352 ( 0.068 -0.220 0.349) 0.418 18.447 ( -0.347 -0.036 0.128) 0.372 18.454 ( 0.504 -0.848 -1.154) 1.518 18.532 ( 0.242 1.522 -0.520) 1.626 18.549 ( 0.230 -0.220 -0.444) 0.546 18.918 ( 0.110 0.552 0.480) 0.740 18.922 ( -0.077 0.163 0.190) 0.262 20.215 ( -0.464 2.098 -0.123) 2.152 20.252 ( -1.958 -1.684 -0.660) 2.666 20.793 ( 1.193 1.226 2.797) 3.279 20.827 ( 0.883 -2.405 1.647) 3.046 21.653 ( 0.605 4.193 0.864) 4.323 21.738 ( 0.607 -4.770 0.922) 4.896 22.047 ( 2.808 2.727 4.801) 6.194 22.099 ( 0.854 -2.873 4.850) 5.702 22.170 ( -2.287 2.654 -4.849) 5.982 22.218 ( -1.180 -2.186 -2.870) 3.796 22.388 ( -2.565 1.711 -3.657) 4.784 22.435 ( -0.358 -3.235 -0.735) 3.337 25.256 ( 0.910 1.554 0.913) 2.019 25.290 ( 0.057 -2.004 1.104) 2.289 25.522 ( -0.903 1.588 -0.262) 1.845 25.556 ( -2.019 -2.011 -0.161) 2.855 29.193 ( 1.671 1.395 -0.214) 2.187 29.210 ( 1.183 -0.030 -0.002) 1.183 29.271 ( 0.870 0.021 -0.155) 0.884 29.282 ( -0.548 -0.967 -0.014) 1.112 29.471 ( -1.111 1.036 0.080) 1.521 29.490 ( -1.022 -0.999 -0.063) 1.431 29.580 ( -0.400 1.175 0.279) 1.272 29.595 ( -0.164 -0.493 0.252) 0.578 31.083 ( 0.149 2.660 0.892) 2.809 31.093 ( -0.476 1.498 -0.134) 1.577 31.330 ( 1.419 -0.457 1.427) 2.064 31.378 ( 3.041 -5.369 4.090) 7.403 31.695 ( 0.510 1.018 -0.446) 1.223 31.715 ( 0.451 -0.977 -0.248) 1.104 31.974 ( -1.592 3.110 -2.674) 4.400 32.023 ( -2.715 -2.074 -3.427) 4.839 32.383 ( 1.627 2.748 4.560) 5.567 32.429 ( 1.014 -1.219 5.149) 5.388 32.520 ( -2.992 7.743 -1.798) 8.493 32.635 ( -1.693 -3.296 0.097) 3.707 32.879 ( 1.674 -0.084 -0.110) 1.679 32.922 ( -1.135 -4.178 -2.578) 5.039 33.114 ( 0.718 3.314 0.805) 3.485 33.182 ( 1.004 -3.533 -0.086) 3.674 33.424 ( 0.427 3.674 0.109) 3.701 33.441 ( 0.563 2.078 -1.690) 2.737 34.431 ( 0.470 -0.106 -1.328) 1.413 34.492 ( -1.078 -5.414 -3.156) 6.358 34.915 ( 0.735 3.592 7.858) 8.671 35.001 ( 2.324 -5.281 11.165) 12.568 35.402 ( -0.454 6.768 -11.568) 13.410 35.515 ( -0.738 -5.114 -8.187) 9.681 106.318 ( -0.281 1.041 -0.142) 1.087 106.337 ( -0.272 -1.004 -0.088) 1.043 106.367 ( -0.042 0.968 -0.036) 0.969 106.385 ( -0.034 -0.867 0.025) 0.868 108.424 ( 0.208 0.339 0.042) 0.400 108.430 ( -0.137 -0.340 -0.207) 0.421 108.463 ( 0.067 0.601 -0.079) 0.609 108.473 ( 0.227 -0.506 -0.113) 0.565 ======================= Grid point 45 (16/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -4.973 0.000 26.077) 26.547 0.616 ( -3.779 0.000 29.468) 29.709 1.133 ( -0.261 0.000 52.815) 52.816 1.898 ( -1.428 0.000 2.934) 3.263 2.215 ( -2.992 0.000 11.604) 11.983 2.598 ( 4.238 0.000 0.985) 4.351 2.637 ( 1.058 0.000 2.089) 2.342 2.753 ( -0.053 0.000 9.939) 9.939 2.773 ( 3.226 0.000 -6.066) 6.870 2.873 ( 17.183 0.000 -6.056) 18.218 2.974 ( -0.521 0.000 10.336) 10.349 3.081 ( -5.140 0.000 10.935) 12.083 3.242 ( -5.936 0.000 8.285) 10.192 3.294 ( 7.672 0.000 -6.066) 9.780 3.347 ( -11.089 0.000 9.475) 14.586 3.379 ( -7.655 0.000 -13.029) 15.111 3.449 ( 6.441 0.000 -2.349) 6.856 3.486 ( -3.245 0.000 -8.106) 8.732 3.523 ( 5.101 0.000 -0.664) 5.144 3.772 ( -1.203 0.000 1.060) 1.603 3.921 ( 9.586 0.000 5.933) 11.274 3.942 ( -5.058 0.000 4.892) 7.037 4.023 ( -0.163 0.000 -3.594) 3.598 4.120 ( 2.353 0.000 4.110) 4.735 4.184 ( 8.240 0.000 8.933) 12.153 4.292 ( -5.670 0.000 -1.706) 5.921 4.416 ( 6.310 0.000 7.162) 9.545 4.451 ( -5.164 0.000 3.604) 6.297 4.468 ( -0.045 0.000 -0.194) 0.199 4.565 ( 5.065 0.000 -2.006) 5.447 4.577 ( -5.924 0.000 -2.245) 6.335 4.664 ( 1.265 0.000 0.925) 1.567 4.796 ( -7.599 0.000 1.586) 7.762 4.909 ( -2.148 0.000 -1.498) 2.619 4.945 ( -3.043 0.000 -2.596) 4.000 5.044 ( -2.076 0.000 4.073) 4.571 5.184 ( 13.844 0.000 -6.208) 15.172 5.219 ( 1.292 0.000 -8.139) 8.241 5.268 ( 2.944 0.000 -0.577) 3.000 5.386 ( -2.109 0.000 1.345) 2.502 5.441 ( -5.859 0.000 -3.708) 6.934 5.529 ( -6.993 0.000 -6.309) 9.418 5.613 ( -0.687 0.000 -0.407) 0.798 5.697 ( 3.453 0.000 1.935) 3.959 5.837 ( 0.335 0.000 3.234) 3.252 5.842 ( -5.012 0.000 -5.207) 7.227 5.927 ( 29.113 0.000 2.587) 29.228 6.014 ( -2.350 0.000 1.680) 2.889 6.081 ( -5.138 0.000 0.610) 5.174 6.094 ( -0.239 0.000 -12.728) 12.730 6.217 ( -6.222 0.000 0.639) 6.255 6.304 ( -5.108 0.000 -12.340) 13.356 6.401 ( -1.851 0.000 -5.299) 5.613 6.423 ( 1.032 0.000 -0.211) 1.053 6.522 ( 2.935 0.000 1.183) 3.164 6.545 ( 9.452 0.000 -0.433) 9.461 6.697 ( 0.596 0.000 -1.707) 1.808 6.745 ( 0.985 0.000 1.541) 1.829 6.795 ( -0.144 0.000 -0.764) 0.778 6.826 ( 4.251 0.000 -3.492) 5.502 6.842 ( -0.753 0.000 -0.901) 1.174 6.891 ( -2.884 0.000 -0.384) 2.909 6.968 ( 10.511 0.000 1.210) 10.581 6.983 ( 0.102 0.000 -1.196) 1.200 7.564 ( 1.452 0.000 -3.436) 3.730 7.614 ( -3.310 0.000 -0.612) 3.366 7.686 ( -1.056 0.000 -3.122) 3.296 7.837 ( 0.322 0.000 -4.753) 4.764 7.942 ( -6.721 0.000 0.564) 6.744 8.069 ( -1.520 0.000 2.819) 3.202 8.156 ( -12.690 0.000 -1.227) 12.749 8.269 ( 1.055 0.000 -5.682) 5.779 9.232 ( -1.871 0.000 -0.334) 1.901 9.311 ( 1.409 0.000 -1.307) 1.921 9.427 ( -0.598 0.000 4.920) 4.956 9.612 ( 1.786 0.000 -0.611) 1.888 9.630 ( 1.617 0.000 3.952) 4.271 9.715 ( -0.202 0.000 5.145) 5.149 9.790 ( -2.700 0.000 4.180) 4.976 10.050 ( 3.985 0.000 -0.792) 4.063 10.344 ( 3.705 0.000 0.241) 3.713 10.449 ( 2.444 0.000 -3.264) 4.078 10.661 ( 0.754 0.000 -6.012) 6.059 10.793 ( -8.438 0.000 -8.084) 11.686 10.817 ( -0.117 0.000 -8.265) 8.266 10.943 ( -2.076 0.000 2.508) 3.256 11.100 ( 24.801 0.000 1.031) 24.822 11.222 ( -12.369 0.000 -6.383) 13.919 11.412 ( -2.217 0.000 8.437) 8.724 11.739 ( -13.871 0.000 -3.438) 14.291 12.074 ( -1.910 0.000 3.871) 4.317 12.133 ( 0.203 0.000 4.019) 4.024 12.197 ( 2.784 0.000 2.517) 3.753 12.326 ( 0.810 0.000 -1.683) 1.868 12.351 ( -4.737 0.000 7.853) 9.171 12.450 ( -1.617 0.000 4.490) 4.772 12.669 ( 0.522 0.000 2.680) 2.730 12.737 ( 0.784 0.000 -2.019) 2.165 12.780 ( 4.605 0.000 -2.147) 5.081 12.862 ( 0.140 0.000 -2.554) 2.558 13.008 ( -0.183 0.000 1.571) 1.582 13.111 ( -1.616 0.000 0.161) 1.624 13.154 ( -1.133 0.000 2.466) 2.713 13.235 ( 0.366 0.000 -0.501) 0.621 13.520 ( 1.619 0.000 -1.312) 2.084 13.564 ( -1.222 0.000 -1.870) 2.234 13.667 ( -3.617 0.000 -2.599) 4.454 13.671 ( 0.634 0.000 -1.610) 1.731 13.741 ( -2.117 0.000 -1.877) 2.829 13.822 ( 2.136 0.000 -2.470) 3.266 13.854 ( 4.134 0.000 0.522) 4.167 13.890 ( -1.278 0.000 -0.875) 1.549 17.095 ( -0.613 0.000 -0.092) 0.620 17.154 ( -0.807 0.000 -2.521) 2.647 17.196 ( -1.265 0.000 -1.299) 1.813 17.265 ( -1.492 0.000 0.391) 1.543 17.278 ( 1.484 0.000 -0.924) 1.748 17.279 ( 0.754 0.000 0.225) 0.787 17.322 ( 2.814 0.000 2.472) 3.746 17.419 ( 3.175 0.000 0.488) 3.213 17.462 ( -0.846 0.000 -0.385) 0.930 17.534 ( 15.367 0.000 2.552) 15.577 17.637 ( 0.079 0.000 -1.653) 1.655 17.670 ( -1.164 0.000 0.326) 1.209 17.761 ( -1.273 0.000 1.588) 2.035 17.823 ( 3.212 0.000 0.259) 3.222 17.870 ( -0.983 0.000 -0.696) 1.205 17.895 ( -1.266 0.000 -0.098) 1.270 18.342 ( -1.178 0.000 1.137) 1.637 18.400 ( -7.565 0.000 -2.068) 7.843 18.469 ( -0.181 0.000 -3.273) 3.278 18.525 ( 1.960 0.000 -1.713) 2.603 18.525 ( -2.314 0.000 2.967) 3.763 18.674 ( -12.761 0.000 2.446) 12.993 18.840 ( 3.248 0.000 -2.535) 4.120 18.890 ( 1.093 0.000 -0.293) 1.131 20.277 ( -3.804 0.000 3.613) 5.246 20.408 ( 3.290 0.000 4.253) 5.377 20.467 ( 35.401 0.000 0.059) 35.401 20.609 ( -3.259 0.000 0.283) 3.271 21.505 ( -2.786 0.000 3.273) 4.298 21.682 ( 1.697 0.000 0.360) 1.734 21.902 ( 1.585 0.000 2.541) 2.995 22.086 ( -3.042 0.000 1.400) 3.349 22.172 ( -2.036 0.000 -1.309) 2.421 22.256 ( -0.057 0.000 3.683) 3.683 22.349 ( 0.155 0.000 -3.093) 3.096 23.008 ( -1.279 0.000 -5.867) 6.005 25.097 ( -1.540 0.000 3.748) 4.052 25.525 ( 0.967 0.000 -2.551) 2.728 25.669 ( -6.500 0.000 1.061) 6.586 25.791 ( 1.606 0.000 -0.860) 1.822 29.110 ( -3.109 0.000 -0.009) 3.109 29.121 ( 0.436 0.000 -0.140) 0.458 29.161 ( 0.273 0.000 0.121) 0.299 29.222 ( 0.309 0.000 -0.918) 0.969 29.507 ( 0.210 0.000 0.715) 0.745 29.572 ( -0.085 0.000 1.208) 1.211 29.573 ( -1.555 0.000 -0.505) 1.635 29.654 ( -0.984 0.000 0.449) 1.082 30.976 ( -2.348 0.000 0.979) 2.544 31.007 ( 3.242 0.000 1.939) 3.777 31.294 ( -2.574 0.000 -5.005) 5.629 31.387 ( -11.271 0.000 -4.045) 11.975 31.619 ( -0.013 0.000 3.955) 3.955 31.743 ( 2.232 0.000 4.678) 5.184 31.796 ( -7.066 0.000 6.576) 9.653 31.995 ( 3.693 0.000 6.207) 7.222 32.120 ( -1.619 0.000 5.334) 5.574 32.215 ( -1.985 0.000 -0.893) 2.176 32.290 ( 1.277 0.000 1.612) 2.057 32.834 ( -1.818 0.000 -1.227) 2.193 32.916 ( 0.758 0.000 -1.599) 1.769 32.957 ( -3.960 0.000 -5.776) 7.003 33.021 ( 1.222 0.000 1.056) 1.616 33.154 ( -0.853 0.000 -2.094) 2.261 33.505 ( 9.574 0.000 5.831) 11.210 34.094 ( -12.739 0.000 -5.528) 13.887 34.337 ( 7.202 0.000 -7.387) 10.317 34.486 ( 6.418 0.000 9.263) 11.269 34.579 ( -16.865 0.000 -13.411) 21.548 34.997 ( 11.975 0.000 5.091) 13.012 35.585 ( -5.106 0.000 -5.896) 7.799 35.604 ( 11.006 0.000 -1.852) 11.161 106.337 ( -0.315 0.000 -0.201) 0.374 106.351 ( 0.169 0.000 -0.711) 0.731 106.382 ( -1.367 0.000 0.606) 1.495 106.396 ( 0.238 0.000 0.093) 0.256 108.366 ( -0.032 0.000 0.517) 0.518 108.421 ( 0.613 0.000 -0.025) 0.613 108.434 ( 2.330 0.000 -0.082) 2.332 108.507 ( -0.324 0.000 -0.867) 0.925 ======================= Grid point 46 (17/84) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 24.069 0.000 20.117) 31.369 1.039 ( 9.255 0.000 26.237) 27.822 1.857 ( 13.444 0.000 34.993) 37.487 1.942 ( 4.297 0.000 2.668) 5.058 2.335 ( -2.636 0.000 10.046) 10.386 2.619 ( 2.332 0.000 -4.912) 5.437 2.659 ( 3.752 0.000 0.034) 3.753 2.721 ( 0.246 0.000 -2.912) 2.922 2.849 ( 4.425 0.000 -4.806) 6.533 2.914 ( -2.484 0.000 -0.016) 2.484 3.063 ( -6.810 0.000 -8.491) 10.884 3.164 ( -4.879 0.000 7.421) 8.881 3.201 ( 0.813 0.000 13.565) 13.590 3.273 ( -5.320 0.000 16.495) 17.332 3.309 ( 1.953 0.000 -0.400) 1.993 3.408 ( 3.129 0.000 14.649) 14.980 3.496 ( -2.050 0.000 4.477) 4.924 3.543 ( 3.833 0.000 7.910) 8.789 3.595 ( 8.879 0.000 -5.074) 10.226 3.807 ( 0.763 0.000 4.798) 4.859 3.832 ( -15.837 0.000 2.377) 16.014 3.981 ( -1.905 0.000 -3.948) 4.383 4.105 ( -5.237 0.000 -7.448) 9.105 4.116 ( 4.552 0.000 5.028) 6.783 4.217 ( 5.863 0.000 4.879) 7.627 4.271 ( -2.520 0.000 -2.461) 3.523 4.322 ( -6.017 0.000 -0.777) 6.067 4.419 ( -3.496 0.000 -1.912) 3.984 4.609 ( 2.333 0.000 -0.269) 2.348 4.639 ( 7.864 0.000 2.171) 8.158 4.719 ( 3.997 0.000 5.551) 6.840 4.727 ( 12.368 0.000 1.937) 12.519 4.773 ( -1.702 0.000 4.089) 4.429 4.830 ( -6.085 0.000 -0.053) 6.086 4.840 ( -1.267 0.000 -6.865) 6.981 5.061 ( -0.363 0.000 0.263) 0.448 5.146 ( -0.745 0.000 -2.224) 2.345 5.174 ( 1.083 0.000 -6.155) 6.250 5.277 ( -0.060 0.000 -3.056) 3.057 5.318 ( -2.029 0.000 -2.812) 3.468 5.329 ( -7.224 0.000 -6.909) 9.996 5.354 ( 2.225 0.000 -6.277) 6.660 5.635 ( 3.517 0.000 0.017) 3.517 5.740 ( 1.213 0.000 -0.448) 1.293 5.740 ( -5.385 0.000 -2.084) 5.774 5.872 ( -0.984 0.000 -2.053) 2.277 5.943 ( 1.872 0.000 -4.298) 4.688 5.949 ( -8.227 0.000 0.344) 8.234 5.987 ( -0.894 0.000 -6.960) 7.017 6.042 ( -10.081 0.000 -10.263) 14.386 6.179 ( 6.328 0.000 0.838) 6.383 6.253 ( -6.420 0.000 -7.614) 9.959 6.259 ( 4.527 0.000 5.231) 6.918 6.469 ( 1.774 0.000 1.144) 2.111 6.560 ( -0.672 0.000 0.345) 0.756 6.611 ( 4.058 0.000 -5.730) 7.021 6.650 ( -2.698 0.000 -3.248) 4.222 6.714 ( -3.408 0.000 -6.083) 6.972 6.756 ( -0.799 0.000 2.160) 2.303 6.799 ( 1.829 0.000 -3.196) 3.682 6.853 ( 3.059 0.000 1.472) 3.395 6.884 ( 0.954 0.000 -2.615) 2.784 7.002 ( 2.587 0.000 1.178) 2.842 7.165 ( 14.883 0.000 -4.020) 15.417 7.487 ( -9.345 0.000 1.366) 9.445 7.549 ( -1.724 0.000 -1.945) 2.599 7.619 ( -1.163 0.000 -4.891) 5.027 7.773 ( -1.421 0.000 -4.603) 4.817 7.846 ( -2.857 0.000 0.291) 2.872 8.066 ( -2.033 0.000 1.752) 2.684 8.128 ( -0.642 0.000 3.103) 3.169 8.220 ( 2.413 0.000 -6.593) 7.020 9.205 ( -1.106 0.000 -0.188) 1.122 9.323 ( 2.102 0.000 -0.793) 2.246 9.469 ( 0.020 0.000 2.292) 2.292 9.636 ( 2.793 0.000 -1.371) 3.111 9.726 ( 1.564 0.000 6.168) 6.363 9.815 ( -2.088 0.000 5.116) 5.526 9.822 ( 3.105 0.000 8.529) 9.077 10.081 ( 2.444 0.000 -0.638) 2.526 10.403 ( 1.581 0.000 1.283) 2.036 10.411 ( -0.184 0.000 -5.721) 5.724 10.471 ( -15.967 0.000 -0.952) 15.995 10.568 ( 1.409 0.000 -7.883) 8.008 10.746 ( -0.009 0.000 -3.199) 3.200 10.922 ( -4.026 0.000 0.777) 4.100 11.016 ( -4.757 0.000 -9.205) 10.362 11.341 ( 9.471 0.000 -6.772) 11.643 11.485 ( -0.980 0.000 6.157) 6.235 11.605 ( -5.184 0.000 2.130) 5.605 12.114 ( 0.014 0.000 4.580) 4.581 12.209 ( 1.736 0.000 4.621) 4.936 12.290 ( 3.929 0.000 3.887) 5.527 12.334 ( 3.440 0.000 -1.805) 3.884 12.379 ( -3.809 0.000 5.886) 7.012 12.489 ( -2.238 0.000 5.728) 6.150 12.687 ( 0.833 0.000 -1.528) 1.740 12.768 ( 3.178 0.000 1.700) 3.604 12.824 ( -0.149 0.000 -0.689) 0.705 12.848 ( 5.200 0.000 -1.055) 5.306 13.040 ( 1.281 0.000 2.081) 2.444 13.081 ( -2.476 0.000 -0.270) 2.491 13.155 ( -1.561 0.000 0.568) 1.661 13.228 ( 0.520 0.000 -1.448) 1.538 13.498 ( -3.783 0.000 -2.524) 4.547 13.501 ( -2.110 0.000 -0.528) 2.175 13.559 ( -5.821 0.000 -2.312) 6.264 13.655 ( -0.500 0.000 -0.996) 1.115 13.714 ( 2.153 0.000 -2.495) 3.296 13.822 ( 1.881 0.000 -2.340) 3.003 13.873 ( 1.602 0.000 -1.959) 2.531 13.931 ( 5.328 0.000 -0.276) 5.335 17.085 ( -0.479 0.000 0.134) 0.498 17.088 ( -3.367 0.000 -0.201) 3.373 17.163 ( -1.295 0.000 -0.924) 1.591 17.233 ( -0.753 0.000 -0.871) 1.151 17.275 ( 0.505 0.000 -1.196) 1.298 17.291 ( 0.584 0.000 0.249) 0.635 17.397 ( 2.257 0.000 1.884) 2.940 17.436 ( -1.709 0.000 -0.759) 1.870 17.539 ( 9.079 0.000 0.345) 9.085 17.599 ( -0.259 0.000 -3.970) 3.978 17.650 ( -1.408 0.000 -1.851) 2.326 17.716 ( 7.695 0.000 0.400) 7.706 17.772 ( -0.168 0.000 2.636) 2.641 17.841 ( -1.574 0.000 -0.622) 1.693 17.870 ( -1.160 0.000 -0.680) 1.345 17.881 ( 5.014 0.000 -0.537) 5.042 18.308 ( -3.642 0.000 0.539) 3.681 18.343 ( -0.774 0.000 1.006) 1.270 18.439 ( 0.892 0.000 -2.048) 2.234 18.521 ( 1.709 0.000 -2.523) 3.048 18.521 ( -2.220 0.000 1.425) 2.638 18.595 ( -7.793 0.000 5.467) 9.519 18.850 ( 2.515 0.000 -1.900) 3.152 18.907 ( 1.518 0.000 -0.379) 1.565 20.247 ( -5.323 0.000 1.960) 5.672 20.531 ( 4.135 0.000 6.425) 7.641 20.537 ( -5.605 0.000 -1.314) 5.757 20.757 ( 15.691 0.000 -5.768) 16.718 21.523 ( -0.413 0.000 2.704) 2.735 21.729 ( 3.436 0.000 1.378) 3.703 21.964 ( -8.378 0.000 1.888) 8.588 21.975 ( 2.109 0.000 4.652) 5.108 22.210 ( 2.710 0.000 -1.400) 3.051 22.297 ( -0.748 0.000 -4.289) 4.354 22.379 ( 4.944 0.000 4.762) 6.864 22.862 ( -5.115 0.000 -9.486) 10.777 25.136 ( -0.708 0.000 4.501) 4.557 25.496 ( 0.525 0.000 -3.228) 3.270 25.557 ( -11.890 0.000 5.632) 13.157 25.783 ( -1.500 0.000 -0.637) 1.630 29.111 ( 1.933 0.000 -0.719) 2.063 29.131 ( 0.955 0.000 0.179) 0.971 29.178 ( 1.880 0.000 0.152) 1.887 29.222 ( 1.555 0.000 -1.008) 1.854 29.520 ( 0.089 0.000 0.909) 0.913 29.543 ( -2.222 0.000 0.037) 2.222 29.588 ( -0.400 0.000 1.727) 1.773 29.638 ( -1.867 0.000 0.073) 1.868 30.970 ( -1.567 0.000 2.318) 2.798 31.100 ( 5.034 0.000 3.946) 6.396 31.165 ( -4.448 0.000 -3.142) 5.445 31.331 ( 4.081 0.000 -5.794) 7.087 31.650 ( -2.143 0.000 3.837) 4.395 31.819 ( -4.408 0.000 7.262) 8.496 31.860 ( 4.520 0.000 5.083) 6.802 32.144 ( 2.918 0.000 3.364) 4.453 32.154 ( -2.987 0.000 4.807) 5.660 32.221 ( 2.704 0.000 6.627) 7.158 32.331 ( 1.266 0.000 1.104) 1.679 32.749 ( -5.887 0.000 -5.062) 7.764 32.833 ( -1.890 0.000 -2.254) 2.942 32.902 ( 1.625 0.000 -1.252) 2.051 33.101 ( 6.466 0.000 0.903) 6.529 33.145 ( 2.919 0.000 -2.400) 3.779 33.537 ( -10.868 0.000 4.198) 11.651 34.092 ( 13.987 0.000 2.742) 14.253 34.103 ( -22.606 0.000 -15.163) 27.220 34.353 ( 7.081 0.000 -5.303) 8.847 34.642 ( 0.261 0.000 10.373) 10.376 35.166 ( 6.528 0.000 0.590) 6.555 35.412 ( -5.344 0.000 -9.397) 10.810 35.746 ( 12.717 0.000 -10.732) 16.641 106.326 ( -0.701 0.000 -0.317) 0.769 106.348 ( 0.426 0.000 -0.606) 0.741 106.379 ( -0.578 0.000 0.427) 0.718 106.401 ( 0.093 0.000 0.189) 0.210 108.377 ( 0.392 0.000 0.610) 0.725 108.430 ( 0.571 0.000 0.037) 0.572 108.453 ( 1.479 0.000 -0.755) 1.661 108.487 ( -0.470 0.000 -1.249) 1.334 ======================= Grid point 47 (18/84) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 11.364 0.000 22.256) 24.990 1.618 ( 25.815 0.000 14.933) 29.822 2.096 ( 14.043 0.000 -0.344) 14.047 2.137 ( 7.655 0.000 -9.766) 12.409 2.332 ( -6.304 0.000 0.988) 6.381 2.617 ( 3.729 0.000 -6.874) 7.821 2.672 ( -2.392 0.000 1.475) 2.810 2.769 ( -5.645 0.000 1.207) 5.773 2.808 ( 0.521 0.000 -1.208) 1.316 2.962 ( 4.842 0.000 0.845) 4.915 3.002 ( 8.228 0.000 12.278) 14.780 3.253 ( 1.990 0.000 7.848) 8.096 3.325 ( 0.310 0.000 4.869) 4.879 3.394 ( -6.627 0.000 8.996) 11.173 3.447 ( -3.002 0.000 17.060) 17.323 3.491 ( -7.858 0.000 3.196) 8.483 3.544 ( -7.026 0.000 7.593) 10.345 3.559 ( -5.781 0.000 -4.935) 7.601 3.693 ( -5.892 0.000 11.920) 13.297 3.739 ( 0.955 0.000 17.459) 17.486 3.795 ( -10.646 0.000 -6.356) 12.399 3.884 ( 3.117 0.000 -0.872) 3.236 4.070 ( 12.014 0.000 -8.791) 14.887 4.174 ( -3.981 0.000 -3.197) 5.106 4.188 ( 1.340 0.000 -1.608) 2.093 4.303 ( 10.657 0.000 -6.341) 12.401 4.308 ( -4.218 0.000 -9.021) 9.958 4.385 ( 6.222 0.000 5.510) 8.311 4.583 ( 2.948 0.000 -6.279) 6.937 4.586 ( -4.925 0.000 -6.859) 8.444 4.691 ( -3.496 0.000 -2.103) 4.080 4.797 ( -1.038 0.000 2.473) 2.682 4.807 ( -2.370 0.000 6.209) 6.646 4.906 ( 14.668 0.000 -5.987) 15.843 4.956 ( 9.626 0.000 6.737) 11.749 5.016 ( -5.946 0.000 -5.264) 7.941 5.113 ( -0.769 0.000 -5.796) 5.847 5.126 ( -1.675 0.000 2.141) 2.718 5.224 ( 4.108 0.000 2.429) 4.772 5.250 ( -1.525 0.000 -1.251) 1.973 5.256 ( -0.683 0.000 -2.724) 2.808 5.360 ( 2.303 0.000 2.046) 3.080 5.635 ( -4.675 0.000 -1.828) 5.020 5.680 ( -0.608 0.000 1.874) 1.970 5.726 ( -3.031 0.000 -2.849) 4.159 5.755 ( -10.199 0.000 -6.844) 12.282 5.829 ( -8.305 0.000 -0.591) 8.326 5.836 ( 2.541 0.000 -1.645) 3.027 5.883 ( 2.739 0.000 -9.055) 9.460 5.986 ( -0.473 0.000 2.327) 2.375 6.077 ( -6.436 0.000 -2.992) 7.098 6.272 ( 2.099 0.000 2.977) 3.643 6.352 ( -0.272 0.000 1.515) 1.539 6.491 ( -0.820 0.000 2.611) 2.737 6.499 ( -4.357 0.000 -6.464) 7.795 6.524 ( -8.198 0.000 -4.592) 9.397 6.583 ( 1.103 0.000 -1.881) 2.181 6.638 ( 2.388 0.000 -0.395) 2.421 6.740 ( -1.646 0.000 1.185) 2.028 6.775 ( -0.931 0.000 -3.997) 4.104 6.872 ( 4.424 0.000 -2.118) 4.905 6.937 ( 4.330 0.000 0.881) 4.419 7.064 ( 3.653 0.000 0.920) 3.768 7.247 ( 8.973 0.000 -8.509) 12.365 7.427 ( -6.752 0.000 7.293) 9.939 7.503 ( -2.179 0.000 -0.548) 2.247 7.532 ( -1.510 0.000 -5.285) 5.496 7.671 ( -5.376 0.000 -3.714) 6.534 7.863 ( 1.496 0.000 1.950) 2.458 8.069 ( -0.173 0.000 0.959) 0.975 8.163 ( 0.990 0.000 -5.350) 5.441 8.164 ( 0.727 0.000 2.346) 2.456 9.201 ( -0.000 0.000 0.668) 0.668 9.347 ( 2.521 0.000 -0.721) 2.622 9.493 ( 0.424 0.000 1.154) 1.229 9.645 ( 2.086 0.000 -2.396) 3.177 9.832 ( 1.599 0.000 7.158) 7.334 9.860 ( -0.309 0.000 3.918) 3.930 9.980 ( 4.340 0.000 5.969) 7.380 10.104 ( 1.554 0.000 -0.517) 1.637 10.276 ( -7.565 0.000 -1.658) 7.745 10.340 ( -1.353 0.000 -6.709) 6.844 10.353 ( -2.383 0.000 -6.162) 6.606 10.577 ( 1.947 0.000 3.336) 3.863 10.734 ( 1.021 0.000 0.578) 1.173 10.838 ( -2.363 0.000 -8.761) 9.074 10.853 ( -4.371 0.000 -1.928) 4.777 11.302 ( -1.487 0.000 -4.495) 4.735 11.539 ( -0.799 0.000 4.263) 4.338 11.605 ( -1.598 0.000 2.990) 3.390 12.192 ( 2.250 0.000 4.826) 5.324 12.277 ( 0.869 0.000 2.595) 2.737 12.360 ( 0.753 0.000 0.123) 0.763 12.387 ( 5.187 0.000 0.565) 5.218 12.420 ( 0.051 0.000 5.394) 5.394 12.523 ( -3.129 0.000 4.863) 5.782 12.673 ( 2.042 0.000 -3.303) 3.883 12.802 ( 0.216 0.000 -1.664) 1.678 12.842 ( 3.219 0.000 2.354) 3.988 12.916 ( 2.245 0.000 1.067) 2.486 13.045 ( -1.615 0.000 0.030) 1.616 13.089 ( 1.977 0.000 1.551) 2.513 13.127 ( -1.241 0.000 -1.542) 1.980 13.214 ( 0.458 0.000 -1.653) 1.715 13.413 ( -3.889 0.000 -1.750) 4.265 13.458 ( -3.757 0.000 -0.794) 3.840 13.471 ( -3.914 0.000 1.019) 4.044 13.631 ( -1.807 0.000 -0.235) 1.823 13.723 ( 2.868 0.000 -1.817) 3.395 13.815 ( 1.365 0.000 -1.988) 2.412 13.880 ( 2.698 0.000 -1.905) 3.303 13.986 ( 3.966 0.000 -1.179) 4.137 17.065 ( -0.851 0.000 1.037) 1.341 17.089 ( 0.543 0.000 0.379) 0.662 17.138 ( -1.613 0.000 0.157) 1.620 17.218 ( -0.082 0.000 -0.825) 0.829 17.264 ( 0.288 0.000 -1.214) 1.247 17.304 ( 0.536 0.000 0.721) 0.898 17.395 ( -2.452 0.000 -0.845) 2.593 17.449 ( 1.910 0.000 1.604) 2.495 17.536 ( -0.164 0.000 -5.096) 5.099 17.565 ( -3.464 0.000 -5.251) 6.290 17.629 ( 4.184 0.000 -0.534) 4.218 17.763 ( 1.560 0.000 -0.453) 1.625 17.821 ( -0.467 0.000 -0.189) 0.503 17.854 ( -0.446 0.000 -0.079) 0.453 17.859 ( 5.175 0.000 2.816) 5.892 17.937 ( 3.377 0.000 -0.258) 3.387 18.298 ( -0.236 0.000 1.364) 1.384 18.346 ( -0.339 0.000 0.742) 0.816 18.439 ( 1.510 0.000 -0.899) 1.757 18.500 ( -2.368 0.000 0.436) 2.408 18.517 ( 1.575 0.000 -1.545) 2.206 18.570 ( -6.268 0.000 5.746) 8.503 18.864 ( 2.470 0.000 -1.526) 2.904 18.915 ( 0.739 0.000 -0.959) 1.211 20.191 ( -3.823 0.000 0.162) 3.826 20.432 ( -6.160 0.000 -1.747) 6.403 20.670 ( 4.230 0.000 5.116) 6.638 20.844 ( 6.846 0.000 -3.960) 7.909 21.554 ( 0.258 0.000 1.997) 2.014 21.813 ( 5.252 0.000 2.181) 5.687 21.896 ( -3.958 0.000 0.524) 3.993 22.076 ( 2.287 0.000 5.776) 6.212 22.219 ( 0.974 0.000 -0.939) 1.353 22.224 ( -1.307 0.000 -4.311) 4.505 22.488 ( 0.836 0.000 5.965) 6.023 22.634 ( -7.407 0.000 -11.631) 13.790 25.188 ( -0.264 0.000 4.428) 4.435 25.464 ( 1.139 0.000 -3.289) 3.481 25.484 ( -8.806 0.000 4.882) 10.069 25.733 ( -3.974 0.000 -1.055) 4.111 29.128 ( 1.831 0.000 -0.759) 1.982 29.151 ( 1.182 0.000 0.425) 1.256 29.215 ( 3.174 0.000 -0.127) 3.177 29.240 ( 2.481 0.000 -0.746) 2.590 29.511 ( -2.391 0.000 0.041) 2.391 29.529 ( -0.156 0.000 0.582) 0.602 29.604 ( -2.815 0.000 -0.134) 2.818 29.604 ( -0.678 0.000 1.933) 2.049 30.989 ( -0.752 0.000 2.838) 2.936 31.081 ( -1.917 0.000 -3.158) 3.695 31.260 ( 7.803 0.000 7.323) 10.701 31.317 ( 5.071 0.000 -6.474) 8.224 31.663 ( -1.759 0.000 2.562) 3.108 31.848 ( -5.972 0.000 8.562) 10.439 31.954 ( 2.828 0.000 -0.984) 2.994 32.158 ( -3.124 0.000 2.323) 3.893 32.164 ( 0.933 0.000 -0.325) 0.988 32.339 ( -1.811 0.000 2.364) 2.978 32.441 ( 7.257 0.000 10.347) 12.638 32.609 ( -3.780 0.000 -4.912) 6.199 32.814 ( 1.454 0.000 -0.734) 1.629 32.940 ( 5.109 0.000 -0.835) 5.176 33.156 ( 2.466 0.000 -2.386) 3.431 33.192 ( 5.399 0.000 -0.876) 5.469 33.429 ( -8.893 0.000 2.401) 9.211 33.613 ( -19.836 0.000 -12.036) 23.202 34.378 ( 14.288 0.000 6.258) 15.598 34.421 ( 8.154 0.000 -0.803) 8.194 34.782 ( 2.263 0.000 9.523) 9.788 35.184 ( -12.216 0.000 3.518) 12.712 35.225 ( 8.055 0.000 -15.743) 17.684 35.700 ( 1.981 0.000 -10.502) 10.687 106.312 ( -0.804 0.000 -0.198) 0.829 106.346 ( 0.183 0.000 -0.422) 0.460 106.374 ( -0.727 0.000 0.257) 0.771 106.404 ( -0.050 0.000 0.194) 0.201 108.392 ( 0.678 0.000 0.536) 0.864 108.435 ( 0.626 0.000 -0.548) 0.832 108.464 ( -0.474 0.000 -1.185) 1.276 108.465 ( 0.878 0.000 0.103) 0.884 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 11.479 0.000 17.988) 21.339 2.022 ( 14.689 0.000 -7.554) 16.517 2.196 ( 22.590 0.000 1.144) 22.619 2.241 ( 12.127 0.000 -10.146) 15.811 2.310 ( -0.300 0.000 4.937) 4.947 2.582 ( 3.812 0.000 -6.810) 7.804 2.619 ( -6.396 0.000 -0.857) 6.453 2.653 ( -3.267 0.000 -2.523) 4.128 2.811 ( -3.434 0.000 5.183) 6.218 3.024 ( 0.233 0.000 0.580) 0.625 3.033 ( -12.450 0.000 -7.177) 14.371 3.264 ( -11.422 0.000 -6.349) 13.068 3.343 ( 1.637 0.000 0.333) 1.671 3.358 ( -13.572 0.000 -0.813) 13.596 3.423 ( -1.087 0.000 16.059) 16.096 3.501 ( -6.990 0.000 4.797) 8.478 3.558 ( -4.408 0.000 6.725) 8.040 3.610 ( 3.017 0.000 6.383) 7.060 3.629 ( -1.502 0.000 -2.808) 3.184 3.843 ( -2.319 0.000 -1.122) 2.576 3.896 ( 7.306 0.000 7.427) 10.418 3.910 ( -1.718 0.000 2.106) 2.718 4.077 ( -3.860 0.000 -5.871) 7.027 4.093 ( 1.687 0.000 -10.057) 10.198 4.170 ( 7.959 0.000 -1.722) 8.143 4.200 ( 3.647 0.000 -0.611) 3.698 4.220 ( 9.499 0.000 -19.467) 21.661 4.490 ( -3.697 0.000 4.277) 5.653 4.573 ( 7.599 0.000 -4.268) 8.715 4.581 ( 2.048 0.000 5.085) 5.482 4.661 ( -1.090 0.000 0.968) 1.458 4.819 ( -1.418 0.000 -4.057) 4.298 4.840 ( -3.557 0.000 -3.055) 4.689 4.913 ( 1.156 0.000 2.906) 3.128 5.000 ( 8.057 0.000 -2.679) 8.491 5.015 ( -0.645 0.000 1.684) 1.803 5.109 ( -3.164 0.000 1.777) 3.629 5.165 ( 9.774 0.000 1.149) 9.841 5.243 ( 1.159 0.000 0.728) 1.369 5.259 ( 1.560 0.000 4.535) 4.796 5.371 ( 4.885 0.000 4.977) 6.974 5.438 ( -3.344 0.000 10.173) 10.708 5.516 ( -3.369 0.000 -6.207) 7.063 5.583 ( -0.756 0.000 -3.852) 3.926 5.619 ( -9.957 0.000 3.797) 10.656 5.716 ( -3.286 0.000 3.527) 4.821 5.740 ( -1.134 0.000 -1.345) 1.759 5.865 ( 3.306 0.000 -2.244) 3.996 5.871 ( -3.196 0.000 2.436) 4.019 5.961 ( -0.783 0.000 -0.150) 0.797 6.039 ( -1.789 0.000 4.056) 4.433 6.229 ( -8.591 0.000 -2.062) 8.835 6.259 ( -12.026 0.000 -7.699) 14.280 6.344 ( -1.350 0.000 2.463) 2.809 6.398 ( 0.370 0.000 -6.288) 6.299 6.454 ( -2.117 0.000 -0.803) 2.264 6.665 ( -3.963 0.000 -1.956) 4.420 6.689 ( 6.506 0.000 4.273) 7.784 6.738 ( 4.740 0.000 1.136) 4.874 6.763 ( 0.766 0.000 1.482) 1.668 6.952 ( 7.156 0.000 0.007) 7.156 6.972 ( 3.175 0.000 -3.386) 4.642 7.120 ( 4.607 0.000 -1.085) 4.733 7.221 ( 4.501 0.000 -9.484) 10.498 7.460 ( -1.014 0.000 -2.169) 2.395 7.463 ( -4.480 0.000 8.812) 9.885 7.488 ( -2.508 0.000 4.368) 5.037 7.532 ( -7.872 0.000 -2.867) 8.378 7.900 ( -0.684 0.000 2.170) 2.275 8.078 ( 0.242 0.000 -0.226) 0.331 8.133 ( 0.313 0.000 0.265) 0.410 8.208 ( 1.418 0.000 1.946) 2.408 9.215 ( 0.194 0.000 0.924) 0.945 9.372 ( 2.265 0.000 -0.704) 2.372 9.511 ( 0.250 0.000 0.846) 0.882 9.644 ( 1.488 0.000 -1.286) 1.966 9.891 ( 1.361 0.000 -0.674) 1.519 9.946 ( 2.822 0.000 4.912) 5.665 10.057 ( 0.104 0.000 -0.346) 0.361 10.073 ( -0.297 0.000 -7.581) 7.586 10.178 ( -2.592 0.000 -1.312) 2.905 10.260 ( 0.668 0.000 -4.049) 4.104 10.287 ( -0.116 0.000 2.585) 2.588 10.630 ( -4.159 0.000 5.536) 6.924 10.751 ( 0.018 0.000 -2.531) 2.531 10.768 ( -1.064 0.000 -2.615) 2.824 10.789 ( 0.855 0.000 4.000) 4.091 11.221 ( -1.647 0.000 -4.351) 4.652 11.574 ( -1.191 0.000 3.155) 3.372 11.614 ( -1.724 0.000 1.995) 2.637 12.280 ( 2.494 0.000 2.042) 3.224 12.301 ( 0.187 0.000 0.178) 0.258 12.344 ( -0.271 0.000 -1.883) 1.903 12.468 ( 4.218 0.000 0.429) 4.240 12.477 ( -0.567 0.000 3.526) 3.571 12.517 ( -2.787 0.000 0.941) 2.941 12.665 ( 2.092 0.000 -2.451) 3.222 12.784 ( 1.499 0.000 -3.293) 3.618 12.911 ( 2.709 0.000 1.530) 3.111 12.916 ( -1.905 0.000 -0.830) 2.078 13.044 ( 0.883 0.000 -0.087) 0.887 13.104 ( -0.735 0.000 1.180) 1.390 13.118 ( 0.740 0.000 -0.115) 0.748 13.211 ( 0.847 0.000 0.101) 0.853 13.351 ( -2.507 0.000 -0.992) 2.696 13.406 ( -3.045 0.000 0.536) 3.092 13.447 ( -2.466 0.000 1.373) 2.822 13.598 ( -2.152 0.000 -0.480) 2.205 13.745 ( 1.918 0.000 0.031) 1.918 13.818 ( 1.276 0.000 -0.239) 1.298 13.899 ( 2.267 0.000 -0.578) 2.339 14.018 ( 2.705 0.000 -0.748) 2.806 17.081 ( 0.634 0.000 1.182) 1.341 17.093 ( 0.138 0.000 -1.350) 1.357 17.128 ( -1.017 0.000 1.697) 1.979 17.202 ( -1.077 0.000 -0.479) 1.179 17.261 ( 1.005 0.000 -0.463) 1.107 17.310 ( -0.900 0.000 -0.007) 0.900 17.381 ( 0.737 0.000 1.516) 1.685 17.448 ( -2.473 0.000 -3.605) 4.372 17.480 ( 0.117 0.000 -4.175) 4.177 17.487 ( 0.810 0.000 1.034) 1.313 17.664 ( 1.890 0.000 -0.066) 1.891 17.777 ( 1.217 0.000 -0.402) 1.281 17.817 ( 0.259 0.000 -0.385) 0.464 17.850 ( -0.197 0.000 -0.042) 0.201 17.944 ( 3.398 0.000 -0.043) 3.398 17.972 ( 2.030 0.000 0.521) 2.096 18.314 ( 0.354 0.000 0.324) 0.480 18.354 ( -0.260 0.000 1.117) 1.147 18.452 ( 1.356 0.000 -0.271) 1.383 18.473 ( -2.465 0.000 1.079) 2.691 18.525 ( 1.018 0.000 -0.215) 1.040 18.563 ( -5.249 0.000 5.582) 7.663 18.876 ( 2.244 0.000 -1.862) 2.915 18.905 ( 0.308 0.000 -1.425) 1.458 20.161 ( -0.114 0.000 -0.220) 0.248 20.329 ( -5.239 0.000 -1.458) 5.438 20.758 ( 2.960 0.000 -0.048) 2.961 20.866 ( 3.427 0.000 -3.353) 4.794 21.576 ( -0.215 0.000 1.314) 1.331 21.861 ( -1.446 0.000 -0.303) 1.477 21.930 ( 6.808 0.000 2.576) 7.279 22.105 ( -1.719 0.000 -4.158) 4.500 22.217 ( 0.222 0.000 -0.449) 0.501 22.234 ( 2.739 0.000 6.318) 6.886 22.378 ( -7.308 0.000 -10.949) 13.164 22.558 ( -2.395 0.000 6.660) 7.078 25.235 ( -0.457 0.000 3.455) 3.485 25.425 ( -6.920 0.000 2.896) 7.501 25.451 ( 2.672 0.000 -2.810) 3.878 25.653 ( -4.329 0.000 -1.879) 4.720 29.143 ( 1.353 0.000 -0.428) 1.419 29.172 ( 1.024 0.000 0.355) 1.084 29.261 ( 3.658 0.000 -0.346) 3.674 29.267 ( 2.003 0.000 -0.325) 2.029 29.479 ( -2.268 0.000 0.102) 2.270 29.529 ( -0.241 0.000 -0.189) 0.306 29.561 ( -2.913 0.000 -0.067) 2.914 29.616 ( -1.011 0.000 1.649) 1.934 31.011 ( -0.752 0.000 1.929) 2.071 31.030 ( -0.223 0.000 -2.368) 2.378 31.306 ( 5.494 0.000 -6.731) 8.689 31.502 ( 9.265 0.000 10.096) 13.703 31.669 ( -1.122 0.000 1.700) 2.036 31.871 ( -7.545 0.000 9.734) 12.315 31.888 ( -2.482 0.000 -7.993) 8.370 32.126 ( -2.029 0.000 -1.363) 2.444 32.158 ( -0.479 0.000 -1.401) 1.480 32.348 ( -0.118 0.000 0.307) 0.328 32.526 ( -0.773 0.000 -3.062) 3.157 32.637 ( 3.292 0.000 6.668) 7.437 32.854 ( 4.018 0.000 0.705) 4.080 33.005 ( 4.789 0.000 -0.279) 4.797 33.140 ( -1.811 0.000 -0.696) 1.941 33.196 ( -3.213 0.000 -2.443) 4.036 33.323 ( -4.458 0.000 -3.228) 5.504 33.367 ( -3.983 0.000 1.905) 4.415 34.520 ( 5.977 0.000 -1.281) 6.112 34.576 ( 4.061 0.000 3.726) 5.511 34.955 ( 6.483 0.000 5.232) 8.331 34.991 ( -3.948 0.000 -12.332) 12.949 35.240 ( 1.855 0.000 6.872) 7.118 35.586 ( -2.132 0.000 -4.014) 4.545 106.301 ( -0.633 0.000 0.086) 0.639 106.343 ( 0.100 0.000 -0.236) 0.256 106.366 ( -0.683 0.000 0.209) 0.714 106.404 ( -0.148 0.000 0.137) 0.201 108.409 ( 0.821 0.000 0.509) 0.966 108.435 ( 0.667 0.000 -0.885) 1.108 108.445 ( -0.402 0.000 -0.810) 0.904 108.480 ( 0.398 0.000 0.688) 0.795 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.44 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 20.551 0.000 -10.467) 23.063 2.127 ( -11.605 0.000 -5.720) 12.938 2.260 ( 8.170 0.000 -0.063) 8.170 2.326 ( 0.176 0.000 4.193) 4.196 2.413 ( 1.022 0.000 -12.297) 12.339 2.586 ( 4.327 0.000 0.148) 4.329 2.592 ( 8.345 0.000 -3.745) 9.147 2.650 ( 5.552 0.000 0.144) 5.554 2.823 ( -4.659 0.000 4.980) 6.820 2.834 ( 4.368 0.000 -1.767) 4.712 2.949 ( -12.006 0.000 3.429) 12.486 3.009 ( -16.461 0.000 0.282) 16.464 3.230 ( -3.306 0.000 -0.360) 3.326 3.286 ( -3.206 0.000 -6.402) 7.160 3.377 ( -4.684 0.000 -13.996) 14.759 3.504 ( -3.804 0.000 -8.601) 9.405 3.533 ( -10.407 0.000 8.394) 13.371 3.574 ( 4.055 0.000 -3.755) 5.527 3.603 ( -1.325 0.000 -6.955) 7.080 3.833 ( 1.502 0.000 -8.089) 8.227 3.922 ( 2.607 0.000 9.651) 9.997 3.958 ( -1.816 0.000 -4.788) 5.121 4.004 ( 3.381 0.000 -0.883) 3.495 4.067 ( 9.489 0.000 0.499) 9.502 4.179 ( 4.771 0.000 -5.543) 7.313 4.182 ( -0.212 0.000 -5.938) 5.942 4.292 ( 5.430 0.000 -3.493) 6.457 4.404 ( -2.636 0.000 -5.812) 6.382 4.625 ( -6.430 0.000 3.946) 7.544 4.696 ( 7.514 0.000 -0.168) 7.516 4.738 ( 3.686 0.000 -3.402) 5.016 4.753 ( 5.285 0.000 9.053) 10.483 4.795 ( 1.050 0.000 -2.971) 3.151 4.834 ( -0.424 0.000 -3.484) 3.509 5.105 ( 0.343 0.000 6.839) 6.848 5.119 ( -1.465 0.000 5.151) 5.355 5.176 ( 3.989 0.000 6.372) 7.518 5.208 ( -3.498 0.000 1.895) 3.978 5.268 ( -1.490 0.000 5.785) 5.974 5.369 ( -1.977 0.000 -7.145) 7.413 5.408 ( 4.546 0.000 4.831) 6.634 5.458 ( -5.322 0.000 -1.324) 5.484 5.498 ( 4.160 0.000 -2.491) 4.849 5.516 ( -6.375 0.000 7.955) 10.194 5.614 ( -1.154 0.000 6.332) 6.436 5.753 ( 0.390 0.000 3.860) 3.879 5.755 ( -0.226 0.000 3.623) 3.630 5.776 ( -11.073 0.000 1.953) 11.244 5.864 ( -0.172 0.000 1.131) 1.144 5.978 ( -4.868 0.000 -1.759) 5.176 6.044 ( -2.536 0.000 -0.230) 2.547 6.118 ( 4.400 0.000 9.036) 10.050 6.145 ( 1.373 0.000 0.022) 1.373 6.353 ( -2.826 0.000 2.485) 3.763 6.445 ( 10.052 0.000 -0.614) 10.071 6.446 ( 0.451 0.000 2.067) 2.116 6.594 ( -2.707 0.000 1.082) 2.915 6.753 ( -2.313 0.000 -2.053) 3.093 6.771 ( 0.030 0.000 -0.787) 0.788 6.802 ( 0.433 0.000 0.972) 1.064 6.962 ( 3.914 0.000 -4.954) 6.314 7.001 ( 1.462 0.000 -3.408) 3.708 7.158 ( 3.939 0.000 -8.361) 9.242 7.173 ( 4.145 0.000 -2.690) 4.941 7.408 ( -2.526 0.000 1.760) 3.078 7.487 ( 1.842 0.000 2.974) 3.498 7.488 ( -3.541 0.000 5.363) 6.426 7.560 ( -3.901 0.000 11.340) 11.992 7.899 ( -1.947 0.000 0.919) 2.153 8.070 ( 0.044 0.000 -0.709) 0.710 8.186 ( 0.378 0.000 6.610) 6.621 8.250 ( -0.022 0.000 3.016) 3.016 9.224 ( -0.417 0.000 0.737) 0.847 9.388 ( 1.198 0.000 -0.691) 1.383 9.520 ( -0.394 0.000 0.569) 0.692 9.661 ( 1.344 0.000 0.851) 1.591 9.863 ( 0.683 0.000 -6.879) 6.912 9.977 ( -3.631 0.000 -5.161) 6.310 9.978 ( 3.736 0.000 -6.919) 7.863 10.011 ( 1.675 0.000 -1.356) 2.155 10.157 ( 0.126 0.000 -0.632) 0.644 10.277 ( 3.118 0.000 0.601) 3.176 10.375 ( -0.399 0.000 9.351) 9.360 10.575 ( -4.997 0.000 -2.188) 5.455 10.760 ( 1.857 0.000 1.904) 2.660 10.779 ( 0.728 0.000 4.035) 4.100 10.855 ( -2.011 0.000 6.464) 6.770 11.154 ( 1.080 0.000 -5.021) 5.136 11.579 ( -2.532 0.000 1.592) 2.991 11.615 ( -1.244 0.000 1.922) 2.289 12.286 ( 1.785 0.000 -4.611) 4.944 12.288 ( -0.221 0.000 -2.256) 2.267 12.312 ( -2.198 0.000 -1.666) 2.758 12.458 ( -0.509 0.000 -4.206) 4.237 12.504 ( -1.845 0.000 3.074) 3.585 12.516 ( 0.086 0.000 0.152) 0.174 12.664 ( 2.061 0.000 -2.212) 3.024 12.766 ( 3.860 0.000 -4.399) 5.853 12.855 ( -2.254 0.000 -3.297) 3.994 12.943 ( -0.110 0.000 0.206) 0.234 13.067 ( 0.894 0.000 1.344) 1.615 13.125 ( -0.868 0.000 2.875) 3.003 13.128 ( 0.749 0.000 0.736) 1.050 13.222 ( 0.073 0.000 -0.455) 0.460 13.317 ( -0.404 0.000 -0.428) 0.589 13.383 ( -1.456 0.000 0.827) 1.674 13.432 ( -1.735 0.000 0.942) 1.974 13.569 ( -0.477 0.000 -0.718) 0.862 13.780 ( 0.889 0.000 2.271) 2.439 13.842 ( 0.661 0.000 1.679) 1.804 13.929 ( 1.296 0.000 1.431) 1.931 14.047 ( 1.550 0.000 0.553) 1.645 17.075 ( 0.517 0.000 -1.485) 1.573 17.093 ( -0.503 0.000 -0.239) 0.557 17.141 ( -0.739 0.000 1.800) 1.946 17.190 ( -0.200 0.000 0.773) 0.798 17.279 ( 1.110 0.000 0.751) 1.340 17.305 ( -0.118 0.000 0.395) 0.412 17.372 ( -0.617 0.000 -2.082) 2.171 17.432 ( 1.378 0.000 1.073) 1.746 17.493 ( -0.696 0.000 -0.186) 0.720 17.498 ( 3.226 0.000 3.866) 5.035 17.686 ( 0.798 0.000 0.472) 0.927 17.786 ( 0.728 0.000 -0.309) 0.791 17.816 ( 0.472 0.000 -0.604) 0.767 17.844 ( -0.200 0.000 -0.403) 0.450 17.958 ( 1.432 0.000 -1.935) 2.407 18.000 ( 0.369 0.000 0.032) 0.371 18.309 ( -0.839 0.000 -0.351) 0.909 18.364 ( -0.421 0.000 1.026) 1.109 18.465 ( -1.955 0.000 2.396) 3.093 18.468 ( 0.752 0.000 0.307) 0.812 18.535 ( 0.276 0.000 0.264) 0.382 18.565 ( -4.473 0.000 5.445) 7.047 18.873 ( 1.574 0.000 -2.949) 3.343 18.895 ( 1.098 0.000 -1.464) 1.830 20.172 ( 0.652 0.000 -0.200) 0.682 20.267 ( -1.048 0.000 0.460) 1.144 20.738 ( 0.780 0.000 -6.820) 6.865 20.863 ( 2.316 0.000 -3.523) 4.216 21.579 ( -1.006 0.000 0.399) 1.082 21.847 ( 0.079 0.000 -0.445) 0.452 21.999 ( -3.327 0.000 -4.802) 5.842 22.055 ( 7.145 0.000 -2.565) 7.591 22.161 ( -3.880 0.000 -5.590) 6.804 22.216 ( -0.045 0.000 0.125) 0.133 22.401 ( 4.115 0.000 9.916) 10.736 22.595 ( -4.406 0.000 6.696) 8.016 25.256 ( -1.822 0.000 1.982) 2.692 25.363 ( -5.089 0.000 0.772) 5.147 25.466 ( 3.599 0.000 -2.105) 4.169 25.580 ( -1.262 0.000 -2.453) 2.758 29.156 ( 0.873 0.000 0.073) 0.876 29.184 ( 0.189 0.000 0.117) 0.222 29.284 ( 0.765 0.000 -0.013) 0.765 29.302 ( 2.622 0.000 -0.412) 2.654 29.451 ( -1.706 0.000 0.032) 1.706 29.519 ( 0.022 0.000 -1.109) 1.109 29.531 ( -1.283 0.000 0.393) 1.341 29.615 ( -1.488 0.000 0.858) 1.718 31.009 ( -1.577 0.000 0.078) 1.579 31.015 ( 1.529 0.000 -1.323) 2.022 31.301 ( 5.833 0.000 -6.344) 8.618 31.578 ( -6.316 0.000 -7.755) 10.002 31.680 ( -0.428 0.000 1.794) 1.844 31.883 ( 6.942 0.000 7.981) 10.578 31.883 ( -8.760 0.000 9.942) 13.251 32.074 ( -0.362 0.000 -3.793) 3.810 32.147 ( 1.321 0.000 0.156) 1.330 32.301 ( -1.171 0.000 -6.296) 6.404 32.501 ( 1.315 0.000 -1.708) 2.155 32.679 ( -3.391 0.000 -0.825) 3.490 32.920 ( 2.052 0.000 1.214) 2.384 33.063 ( 3.475 0.000 0.732) 3.551 33.118 ( -1.720 0.000 -0.664) 1.843 33.121 ( -1.367 0.000 3.413) 3.677 33.326 ( 1.521 0.000 2.378) 2.823 33.351 ( -1.497 0.000 0.885) 1.739 34.574 ( 4.436 0.000 -0.144) 4.439 34.612 ( -1.224 0.000 -0.055) 1.226 34.762 ( 0.270 0.000 -17.202) 17.205 34.968 ( -2.781 0.000 -8.802) 9.231 35.450 ( 1.164 0.000 19.008) 19.043 35.641 ( 3.584 0.000 11.517) 12.061 106.297 ( -0.276 0.000 0.404) 0.489 106.343 ( 0.202 0.000 -0.154) 0.254 106.362 ( -0.385 0.000 0.298) 0.487 106.403 ( -0.199 0.000 -0.022) 0.200 108.419 ( -0.205 0.000 -0.260) 0.331 108.432 ( 0.632 0.000 -0.906) 1.105 108.441 ( 0.626 0.000 0.560) 0.840 108.492 ( -0.120 0.000 0.847) 0.855 ======================= Grid point 50 (21/84) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -20.717 0.000 -7.475) 22.025 2.044 ( -16.463 0.000 -20.057) 25.948 2.168 ( -3.577 0.000 -6.790) 7.675 2.317 ( 21.775 0.000 -7.903) 23.164 2.438 ( -1.556 0.000 -0.096) 1.558 2.589 ( 3.570 0.000 -10.209) 10.816 2.622 ( 2.016 0.000 2.231) 3.007 2.739 ( -0.442 0.000 1.758) 1.813 2.842 ( 0.265 0.000 4.209) 4.217 2.877 ( -3.882 0.000 0.412) 3.904 2.880 ( -3.311 0.000 1.612) 3.682 3.002 ( 6.983 0.000 -8.964) 11.363 3.101 ( 7.721 0.000 -4.738) 9.059 3.145 ( -3.463 0.000 -7.318) 8.096 3.268 ( -10.004 0.000 -5.515) 11.424 3.329 ( -15.872 0.000 -3.862) 16.335 3.374 ( 6.009 0.000 0.953) 6.084 3.445 ( 0.453 0.000 -5.805) 5.822 3.524 ( -0.003 0.000 -11.491) 11.491 3.749 ( -7.941 0.000 -1.402) 8.063 3.949 ( 0.074 0.000 3.979) 3.980 4.019 ( -3.105 0.000 5.189) 6.047 4.035 ( 0.826 0.000 -0.447) 0.939 4.128 ( 6.623 0.000 -7.735) 10.183 4.205 ( 6.403 0.000 -3.012) 7.076 4.245 ( 5.465 0.000 2.196) 5.890 4.284 ( 11.521 0.000 -5.668) 12.839 4.364 ( 4.886 0.000 -5.588) 7.423 4.616 ( -5.666 0.000 6.353) 8.513 4.656 ( 1.094 0.000 -8.592) 8.661 4.716 ( -5.950 0.000 -2.245) 6.359 4.811 ( 4.074 0.000 1.382) 4.302 4.819 ( 2.817 0.000 -3.194) 4.259 4.896 ( -1.312 0.000 -4.125) 4.329 5.050 ( -14.007 0.000 2.701) 14.265 5.101 ( -0.710 0.000 4.258) 4.317 5.248 ( 3.660 0.000 4.269) 5.623 5.268 ( -0.290 0.000 -0.966) 1.009 5.331 ( -3.460 0.000 8.055) 8.766 5.354 ( 3.414 0.000 5.586) 6.546 5.419 ( -7.500 0.000 7.281) 10.453 5.469 ( -0.814 0.000 -0.850) 1.177 5.513 ( -0.991 0.000 6.644) 6.717 5.540 ( 3.633 0.000 0.131) 3.635 5.647 ( -4.127 0.000 1.353) 4.343 5.692 ( 0.530 0.000 5.170) 5.197 5.789 ( -0.968 0.000 2.217) 2.419 5.818 ( 0.460 0.000 2.739) 2.778 5.939 ( 2.901 0.000 2.561) 3.869 5.974 ( 4.425 0.000 6.831) 8.139 6.052 ( -0.236 0.000 3.710) 3.717 6.228 ( 4.805 0.000 3.012) 5.671 6.329 ( -2.522 0.000 1.419) 2.894 6.376 ( 9.779 0.000 9.194) 13.422 6.512 ( 2.127 0.000 3.739) 4.302 6.525 ( 0.803 0.000 -0.060) 0.806 6.662 ( 6.784 0.000 2.874) 7.368 6.665 ( -4.149 0.000 -1.710) 4.488 6.699 ( -2.869 0.000 -4.065) 4.976 6.779 ( -4.018 0.000 1.242) 4.205 6.940 ( -1.495 0.000 -4.125) 4.388 6.940 ( 1.159 0.000 -4.837) 4.974 7.127 ( -1.199 0.000 -4.170) 4.339 7.131 ( 5.379 0.000 -6.426) 8.380 7.507 ( -2.445 0.000 4.107) 4.780 7.521 ( 8.127 0.000 5.167) 9.630 7.580 ( 2.201 0.000 5.939) 6.333 7.644 ( -5.419 0.000 11.376) 12.600 7.880 ( -0.813 0.000 -0.364) 0.891 8.066 ( 0.150 0.000 -0.440) 0.465 8.281 ( -3.908 0.000 6.093) 7.239 8.295 ( -0.677 0.000 9.783) 9.806 9.225 ( -1.042 0.000 1.143) 1.547 9.383 ( -0.222 0.000 -1.231) 1.251 9.512 ( -1.357 0.000 0.059) 1.359 9.690 ( 0.820 0.000 0.228) 0.851 9.772 ( 0.792 0.000 -6.883) 6.928 9.851 ( -4.665 0.000 -4.319) 6.357 9.951 ( -1.635 0.000 -8.517) 8.673 9.987 ( 6.758 0.000 -5.118) 8.477 10.149 ( 0.420 0.000 -1.610) 1.663 10.329 ( 3.236 0.000 -0.124) 3.238 10.466 ( -1.796 0.000 6.066) 6.327 10.493 ( -0.022 0.000 -3.286) 3.286 10.856 ( -0.415 0.000 6.968) 6.981 10.859 ( 4.099 0.000 6.570) 7.744 10.894 ( -3.989 0.000 6.099) 7.288 11.138 ( 5.277 0.000 -3.432) 6.295 11.551 ( -3.690 0.000 1.045) 3.835 11.643 ( -0.114 0.000 4.462) 4.464 12.204 ( -2.850 0.000 -5.220) 5.947 12.238 ( -0.494 0.000 -4.546) 4.573 12.276 ( 1.110 0.000 -3.382) 3.560 12.389 ( -0.345 0.000 -5.265) 5.276 12.473 ( -4.298 0.000 -1.289) 4.487 12.495 ( -0.845 0.000 -1.809) 1.996 12.665 ( 1.604 0.000 -1.902) 2.489 12.778 ( 2.172 0.000 -3.883) 4.449 12.814 ( 3.247 0.000 -0.474) 3.281 12.917 ( -2.696 0.000 -0.552) 2.752 13.082 ( -1.032 0.000 0.762) 1.283 13.131 ( -1.804 0.000 -1.198) 2.166 13.140 ( -0.736 0.000 0.996) 1.239 13.208 ( 1.032 0.000 -1.101) 1.509 13.345 ( 2.576 0.000 2.108) 3.329 13.393 ( 0.737 0.000 1.467) 1.642 13.429 ( -0.432 0.000 1.410) 1.475 13.570 ( 1.770 0.000 -0.545) 1.852 13.821 ( -0.475 0.000 3.316) 3.350 13.871 ( -0.269 0.000 2.020) 2.038 13.966 ( -0.277 0.000 2.921) 2.934 14.069 ( -0.243 0.000 1.050) 1.077 17.065 ( -1.705 0.000 -1.028) 1.991 17.070 ( 1.033 0.000 -1.201) 1.584 17.155 ( -0.994 0.000 2.592) 2.776 17.213 ( 0.989 0.000 1.280) 1.618 17.301 ( -0.493 0.000 -0.567) 0.751 17.305 ( 0.353 0.000 1.542) 1.582 17.355 ( 0.994 0.000 -0.054) 0.995 17.463 ( -1.573 0.000 -1.881) 2.452 17.529 ( 4.815 0.000 5.793) 7.533 17.604 ( 2.356 0.000 5.274) 5.776 17.699 ( -0.194 0.000 1.003) 1.022 17.788 ( -0.156 0.000 -0.062) 0.168 17.813 ( 0.252 0.000 -0.633) 0.681 17.836 ( 0.155 0.000 -0.729) 0.745 17.936 ( -0.353 0.000 -3.801) 3.817 17.977 ( -1.160 0.000 -2.004) 2.316 18.293 ( -1.848 0.000 1.304) 2.262 18.369 ( -1.111 0.000 1.463) 1.837 18.473 ( -1.756 0.000 2.554) 3.100 18.478 ( -0.267 0.000 0.678) 0.729 18.542 ( 0.407 0.000 0.303) 0.507 18.575 ( -3.874 0.000 5.037) 6.354 18.848 ( 1.417 0.000 -3.906) 4.155 18.899 ( 1.922 0.000 -1.374) 2.363 20.159 ( -0.762 0.000 -0.286) 0.814 20.324 ( 3.957 0.000 3.457) 5.255 20.624 ( -0.820 0.000 -10.189) 10.222 20.836 ( 2.559 0.000 -5.876) 6.409 21.559 ( -1.632 0.000 -0.540) 1.719 21.848 ( 0.732 0.000 -0.385) 0.827 21.875 ( -3.601 0.000 -5.751) 6.785 21.989 ( 0.725 0.000 -8.343) 8.375 22.208 ( 3.846 0.000 3.879) 5.462 22.218 ( -0.178 0.000 0.345) 0.388 22.604 ( 6.274 0.000 9.784) 11.623 22.613 ( -5.185 0.000 6.903) 8.633 25.228 ( -4.657 0.000 0.863) 4.737 25.309 ( -2.046 0.000 -1.319) 2.434 25.480 ( 1.627 0.000 -1.450) 2.180 25.577 ( 5.239 0.000 -2.448) 5.782 29.168 ( 0.211 0.000 0.616) 0.651 29.178 ( -0.989 0.000 -0.169) 1.003 29.287 ( -0.400 0.000 0.056) 0.403 29.312 ( -0.929 0.000 -0.035) 0.930 29.442 ( 0.831 0.000 -0.222) 0.860 29.505 ( 0.550 0.000 -1.556) 1.651 29.539 ( 1.080 0.000 0.948) 1.437 29.598 ( -1.640 0.000 -0.007) 1.640 30.974 ( -1.974 0.000 -1.157) 2.288 31.039 ( 3.259 0.000 -0.292) 3.272 31.309 ( 6.014 0.000 -5.130) 7.905 31.353 ( -7.726 0.000 -8.340) 11.369 31.708 ( 0.140 0.000 3.148) 3.151 31.882 ( -9.862 0.000 10.222) 14.204 32.000 ( -0.904 0.000 -0.884) 1.264 32.025 ( 1.047 0.000 -4.532) 4.652 32.191 ( -0.365 0.000 -2.523) 2.550 32.224 ( 2.923 0.000 0.658) 2.996 32.512 ( 3.217 0.000 -1.792) 3.682 32.523 ( -7.633 0.000 -8.044) 11.089 32.924 ( -3.382 0.000 2.052) 3.956 33.084 ( -2.828 0.000 1.283) 3.106 33.203 ( 2.794 0.000 5.689) 6.339 33.237 ( 12.610 0.000 6.918) 14.383 33.337 ( -0.996 0.000 -0.186) 1.013 33.360 ( -0.592 0.000 1.372) 1.495 34.508 ( -2.670 0.000 -8.780) 9.178 34.558 ( -2.214 0.000 -4.212) 4.758 34.724 ( -10.283 0.000 -12.116) 15.892 34.751 ( 13.694 0.000 -2.506) 13.921 35.681 ( -4.156 0.000 18.532) 18.992 35.897 ( 5.239 0.000 16.206) 17.031 106.303 ( 0.131 0.000 0.600) 0.614 106.345 ( 0.407 0.000 -0.185) 0.447 106.365 ( 0.018 0.000 0.578) 0.579 106.399 ( -0.115 0.000 -0.230) 0.257 108.406 ( -0.724 0.000 -0.444) 0.849 108.429 ( 0.479 0.000 -0.806) 0.938 108.465 ( 0.854 0.000 1.225) 1.493 108.497 ( -0.510 0.000 0.739) 0.897 ======================= Grid point 51 (22/84) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -26.196 0.000 -4.671) 26.609 1.502 ( -22.169 0.000 -21.036) 30.561 2.012 ( -5.923 0.000 -6.403) 8.722 2.333 ( -5.686 0.000 -2.740) 6.312 2.402 ( -29.777 0.000 -0.840) 29.788 2.490 ( 5.022 0.000 -8.873) 10.196 2.531 ( 6.267 0.000 -12.230) 13.743 2.748 ( 8.220 0.000 -1.504) 8.357 2.777 ( -0.165 0.000 -7.399) 7.401 2.869 ( -4.462 0.000 -4.153) 6.096 2.910 ( -1.792 0.000 -8.232) 8.425 2.942 ( 9.927 0.000 -2.195) 10.167 2.990 ( -5.859 0.000 -2.024) 6.199 3.027 ( 1.079 0.000 -0.399) 1.151 3.186 ( 0.979 0.000 1.824) 2.070 3.270 ( 8.921 0.000 -2.559) 9.281 3.425 ( -0.463 0.000 -0.424) 0.628 3.489 ( 8.494 0.000 3.489) 9.183 3.616 ( -8.376 0.000 1.651) 8.537 3.651 ( 14.942 0.000 7.274) 16.618 3.946 ( -2.668 0.000 -1.269) 2.955 3.958 ( -3.939 0.000 -7.778) 8.719 4.086 ( 7.526 0.000 -0.665) 7.555 4.131 ( 0.601 0.000 -1.260) 1.396 4.217 ( -3.310 0.000 -4.965) 5.967 4.254 ( -5.186 0.000 -3.060) 6.021 4.285 ( 3.190 0.000 0.536) 3.235 4.458 ( 8.741 0.000 -0.041) 8.741 4.506 ( -5.087 0.000 -5.434) 7.444 4.582 ( -4.756 0.000 -1.309) 4.933 4.619 ( -3.313 0.000 -8.401) 9.031 4.729 ( -4.923 0.000 -4.864) 6.920 4.807 ( 4.457 0.000 -2.002) 4.886 4.936 ( 7.849 0.000 2.388) 8.204 4.961 ( -6.936 0.000 7.112) 9.934 5.147 ( -3.968 0.000 3.435) 5.248 5.279 ( -1.442 0.000 -0.607) 1.564 5.340 ( 1.449 0.000 -2.676) 3.044 5.342 ( -4.583 0.000 1.173) 4.731 5.343 ( -9.868 0.000 5.594) 11.343 5.389 ( -1.733 0.000 5.216) 5.496 5.502 ( -4.027 0.000 8.573) 9.472 5.606 ( 2.797 0.000 5.197) 5.902 5.615 ( 9.355 0.000 0.928) 9.401 5.744 ( 5.332 0.000 1.008) 5.426 5.749 ( -1.635 0.000 -1.675) 2.341 5.775 ( 2.495 0.000 1.342) 2.833 5.886 ( 5.879 0.000 7.189) 9.287 6.045 ( 4.163 0.000 3.340) 5.337 6.069 ( 1.008 0.000 1.240) 1.598 6.176 ( 5.350 0.000 9.389) 10.807 6.249 ( -3.883 0.000 2.571) 4.657 6.384 ( 1.293 0.000 2.800) 3.084 6.488 ( 0.127 0.000 -2.739) 2.742 6.525 ( -2.137 0.000 0.750) 2.265 6.569 ( 5.533 0.000 2.299) 5.991 6.609 ( 0.980 0.000 -5.613) 5.698 6.740 ( 4.399 0.000 9.438) 10.412 6.759 ( -0.133 0.000 -0.334) 0.359 6.787 ( 3.615 0.000 3.904) 5.321 6.879 ( -1.227 0.000 -3.862) 4.052 6.901 ( 1.343 0.000 -0.529) 1.443 7.066 ( -1.169 0.000 -2.949) 3.172 7.123 ( 5.265 0.000 -6.983) 8.746 7.523 ( -1.032 0.000 1.938) 2.196 7.667 ( 2.642 0.000 4.025) 4.815 7.685 ( -6.239 0.000 7.133) 9.477 7.716 ( 6.433 0.000 6.274) 8.986 7.877 ( 1.008 0.000 -0.014) 1.008 8.050 ( -1.036 0.000 -1.466) 1.795 8.308 ( -8.874 0.000 13.036) 15.770 8.394 ( -2.847 0.000 8.580) 9.040 9.229 ( -1.223 0.000 2.067) 2.402 9.357 ( -0.660 0.000 -1.463) 1.605 9.479 ( -2.395 0.000 -1.318) 2.734 9.651 ( 0.469 0.000 -7.254) 7.269 9.741 ( 0.441 0.000 -0.474) 0.647 9.742 ( -3.562 0.000 -4.614) 5.829 9.782 ( -4.089 0.000 -8.097) 9.071 9.997 ( 6.186 0.000 -8.976) 10.901 10.128 ( -0.247 0.000 -1.284) 1.308 10.345 ( 3.002 0.000 -4.189) 5.154 10.483 ( -1.440 0.000 1.150) 1.843 10.515 ( 4.313 0.000 1.290) 4.502 10.900 ( -2.378 0.000 2.836) 3.701 10.943 ( -2.034 0.000 8.278) 8.525 10.989 ( 2.570 0.000 4.338) 5.042 11.246 ( 10.437 0.000 3.016) 10.864 11.493 ( -5.891 0.000 -0.162) 5.893 11.739 ( 1.162 0.000 9.560) 9.631 12.112 ( -2.316 0.000 -2.644) 3.514 12.163 ( -0.506 0.000 -5.762) 5.784 12.239 ( 0.501 0.000 -4.201) 4.230 12.324 ( 0.548 0.000 -4.647) 4.679 12.379 ( -4.824 0.000 -2.100) 5.261 12.464 ( -0.199 0.000 -1.587) 1.599 12.657 ( 0.658 0.000 -1.914) 2.024 12.762 ( 1.943 0.000 -2.317) 3.024 12.869 ( -2.812 0.000 -0.507) 2.858 12.875 ( 3.881 0.000 0.005) 3.881 13.069 ( -2.845 0.000 -1.842) 3.389 13.071 ( -1.602 0.000 1.311) 2.070 13.134 ( -0.219 0.000 -0.399) 0.455 13.216 ( 1.510 0.000 -1.144) 1.894 13.423 ( 1.981 0.000 0.056) 1.982 13.429 ( 4.123 0.000 3.097) 5.156 13.471 ( 2.477 0.000 2.862) 3.785 13.599 ( 2.990 0.000 -0.489) 3.030 13.843 ( -2.205 0.000 2.826) 3.585 13.881 ( -1.163 0.000 1.095) 1.597 13.989 ( -2.122 0.000 2.881) 3.578 14.057 ( -2.735 0.000 0.053) 2.736 17.033 ( -0.730 0.000 -0.868) 1.134 17.072 ( 0.663 0.000 -0.261) 0.713 17.182 ( -0.604 0.000 3.142) 3.199 17.241 ( 0.761 0.000 1.125) 1.358 17.287 ( -0.041 0.000 -0.900) 0.901 17.322 ( -0.873 0.000 1.400) 1.650 17.389 ( 2.140 0.000 1.148) 2.428 17.407 ( -1.451 0.000 -3.242) 3.552 17.662 ( 1.939 0.000 5.151) 5.504 17.678 ( -0.042 0.000 3.524) 3.524 17.708 ( -0.882 0.000 1.420) 1.672 17.774 ( -1.923 0.000 -1.018) 2.176 17.813 ( 0.798 0.000 -0.023) 0.799 17.827 ( -4.334 0.000 -5.904) 7.324 17.840 ( 1.444 0.000 0.248) 1.465 17.939 ( 1.397 0.000 -4.875) 5.071 18.302 ( -2.759 0.000 5.477) 6.133 18.369 ( -2.028 0.000 1.939) 2.806 18.479 ( -0.502 0.000 0.549) 0.744 18.480 ( -1.769 0.000 2.606) 3.150 18.555 ( 0.735 0.000 0.171) 0.755 18.582 ( -3.576 0.000 4.048) 5.401 18.821 ( 2.157 0.000 -3.922) 4.476 18.907 ( 1.660 0.000 -1.603) 2.307 20.165 ( 0.714 0.000 1.412) 1.582 20.437 ( 4.306 0.000 4.511) 6.237 20.477 ( -0.936 0.000 -9.762) 9.807 20.782 ( 3.862 0.000 -9.927) 10.652 21.525 ( -1.980 0.000 -0.569) 2.060 21.768 ( -2.135 0.000 -4.466) 4.950 21.854 ( 0.670 0.000 -0.233) 0.710 21.912 ( 0.535 0.000 -5.173) 5.201 22.218 ( -0.238 0.000 -0.018) 0.238 22.299 ( 3.026 0.000 2.459) 3.899 22.634 ( -4.701 0.000 7.552) 8.896 22.811 ( 7.007 0.000 7.257) 10.088 25.165 ( -5.162 0.000 0.677) 5.206 25.263 ( -1.181 0.000 -2.641) 2.893 25.490 ( 2.214 0.000 -0.944) 2.406 25.639 ( 7.186 0.000 -2.243) 7.528 29.156 ( -1.413 0.000 -0.369) 1.460 29.176 ( -0.535 0.000 0.847) 1.002 29.275 ( -1.274 0.000 -0.091) 1.278 29.287 ( -2.839 0.000 0.789) 2.947 29.464 ( 2.428 0.000 -0.157) 2.434 29.496 ( 0.835 0.000 -1.250) 1.503 29.575 ( -1.085 0.000 -0.410) 1.160 29.578 ( 2.102 0.000 1.315) 2.480 30.936 ( -1.124 0.000 -0.901) 1.441 31.097 ( 4.876 0.000 0.384) 4.891 31.175 ( -5.422 0.000 -4.893) 7.304 31.339 ( 5.608 0.000 -2.912) 6.319 31.768 ( -0.140 0.000 5.871) 5.873 31.870 ( -11.973 0.000 12.081) 17.009 31.888 ( -4.529 0.000 -6.820) 8.187 31.996 ( 2.766 0.000 -3.577) 4.522 32.135 ( -1.834 0.000 -8.719) 8.910 32.226 ( -1.927 0.000 1.741) 2.597 32.384 ( -2.828 0.000 -1.078) 3.027 32.538 ( 5.452 0.000 -4.050) 6.792 32.905 ( -3.641 0.000 3.017) 4.728 33.029 ( -5.648 0.000 -0.509) 5.671 33.261 ( -2.655 0.000 0.857) 2.790 33.278 ( -6.081 0.000 -1.124) 6.184 33.356 ( 2.937 0.000 1.951) 3.526 33.648 ( 23.275 0.000 10.351) 25.473 34.387 ( -7.176 0.000 -16.410) 17.911 34.419 ( 1.717 0.000 -3.668) 4.050 34.476 ( -7.668 0.000 -0.942) 7.725 34.918 ( 12.049 0.000 -1.720) 12.171 35.792 ( -8.669 0.000 12.954) 15.587 36.172 ( 4.064 0.000 15.932) 16.443 106.315 ( 0.441 0.000 0.609) 0.753 106.349 ( 0.579 0.000 -0.251) 0.631 106.378 ( 0.349 0.000 1.064) 1.120 106.395 ( 0.080 0.000 -0.342) 0.351 108.390 ( -0.884 0.000 -0.329) 0.943 108.425 ( 0.257 0.000 -0.645) 0.694 108.491 ( 0.613 0.000 1.185) 1.334 108.496 ( -0.575 0.000 0.292) 0.645 ======================= Grid point 52 (23/84) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -27.835 0.000 -13.451) 30.915 0.942 ( -31.781 0.000 -0.064) 31.781 1.716 ( -56.072 0.000 0.431) 56.073 1.888 ( -3.874 0.000 -0.842) 3.964 2.220 ( -7.876 0.000 -0.095) 7.877 2.463 ( 9.535 0.000 -11.643) 15.050 2.521 ( 5.743 0.000 -4.491) 7.290 2.671 ( -3.205 0.000 -5.825) 6.648 2.765 ( 1.151 0.000 -5.203) 5.329 2.781 ( 3.096 0.000 -4.451) 5.422 2.854 ( 5.355 0.000 0.024) 5.355 2.965 ( -2.339 0.000 5.430) 5.912 3.113 ( 11.287 0.000 -0.349) 11.292 3.131 ( 12.412 0.000 -0.562) 12.425 3.239 ( 1.681 0.000 0.862) 1.889 3.444 ( 9.686 0.000 6.988) 11.944 3.454 ( -5.924 0.000 9.569) 11.254 3.568 ( 3.095 0.000 -7.412) 8.032 3.623 ( 1.801 0.000 6.364) 6.614 3.739 ( -9.187 0.000 -8.787) 12.713 3.833 ( 6.505 0.000 -10.987) 12.768 3.920 ( -0.680 0.000 8.066) 8.094 3.944 ( -6.436 0.000 -9.099) 11.145 4.192 ( 5.753 0.000 -2.391) 6.231 4.195 ( 1.469 0.000 -4.205) 4.455 4.223 ( -2.613 0.000 4.518) 5.219 4.333 ( -3.395 0.000 2.727) 4.354 4.360 ( 2.759 0.000 0.110) 2.762 4.431 ( -4.273 0.000 -9.033) 9.992 4.468 ( -9.095 0.000 2.797) 9.515 4.590 ( 4.660 0.000 -4.690) 6.611 4.672 ( 3.537 0.000 2.330) 4.235 4.891 ( 3.201 0.000 3.261) 4.570 4.974 ( -4.668 0.000 5.248) 7.024 4.978 ( -8.864 0.000 -1.415) 8.976 5.109 ( -4.327 0.000 -3.834) 5.781 5.168 ( -2.051 0.000 5.030) 5.432 5.189 ( -7.490 0.000 -4.885) 8.942 5.335 ( -1.272 0.000 0.498) 1.366 5.357 ( 3.063 0.000 -4.901) 5.779 5.466 ( 4.493 0.000 3.348) 5.603 5.531 ( -7.026 0.000 7.311) 10.140 5.663 ( -2.955 0.000 -0.852) 3.076 5.712 ( 1.868 0.000 0.031) 1.868 5.729 ( 6.295 0.000 0.533) 6.318 5.776 ( 2.431 0.000 -1.087) 2.663 5.870 ( 4.729 0.000 2.326) 5.270 6.094 ( 5.078 0.000 0.301) 5.087 6.116 ( 8.320 0.000 1.771) 8.506 6.180 ( 8.863 0.000 8.351) 12.177 6.203 ( -7.026 0.000 0.651) 7.057 6.363 ( 5.762 0.000 5.194) 7.758 6.388 ( -0.098 0.000 -0.324) 0.338 6.491 ( 4.224 0.000 -1.084) 4.361 6.528 ( -3.041 0.000 2.270) 3.795 6.550 ( 2.248 0.000 -7.478) 7.809 6.644 ( 3.659 0.000 0.032) 3.659 6.745 ( 1.857 0.000 -1.788) 2.578 6.825 ( -2.022 0.000 0.143) 2.027 6.845 ( -0.668 0.000 -0.083) 0.673 6.924 ( 3.851 0.000 6.079) 7.197 6.936 ( 2.031 0.000 0.513) 2.095 7.018 ( -0.780 0.000 -1.820) 1.980 7.070 ( 4.501 0.000 -14.601) 15.279 7.532 ( 0.120 0.000 1.543) 1.547 7.652 ( -4.152 0.000 -0.394) 4.171 7.727 ( 0.062 0.000 2.295) 2.296 7.872 ( 4.528 0.000 5.221) 6.911 7.906 ( 0.884 0.000 1.913) 2.108 7.998 ( -1.481 0.000 -3.120) 3.454 8.408 ( -9.405 0.000 24.364) 26.116 8.416 ( -4.524 0.000 2.599) 5.217 9.242 ( -1.029 0.000 2.271) 2.493 9.336 ( -0.097 0.000 -0.874) 0.880 9.409 ( -2.747 0.000 -2.979) 4.052 9.542 ( -0.556 0.000 -8.883) 8.900 9.629 ( -2.762 0.000 -2.713) 3.872 9.694 ( -2.021 0.000 -1.198) 2.349 9.738 ( 0.661 0.000 -1.700) 1.824 9.913 ( 0.922 0.000 -10.674) 10.713 10.123 ( -0.209 0.000 1.174) 1.193 10.323 ( 2.459 0.000 -4.533) 5.157 10.476 ( 0.042 0.000 -0.305) 0.308 10.609 ( 5.263 0.000 1.597) 5.500 10.904 ( -0.782 0.000 1.677) 1.851 11.000 ( -1.527 0.000 3.086) 3.443 11.052 ( 1.327 0.000 1.929) 2.341 11.390 ( -7.428 0.000 0.409) 7.440 11.434 ( 9.345 0.000 1.616) 9.484 11.917 ( 2.512 0.000 13.001) 13.241 12.074 ( -2.202 0.000 1.179) 2.498 12.091 ( 0.260 0.000 -4.285) 4.293 12.185 ( 0.180 0.000 -4.329) 4.333 12.298 ( 2.621 0.000 -2.226) 3.439 12.314 ( -4.245 0.000 2.462) 4.907 12.452 ( 0.435 0.000 -0.630) 0.766 12.639 ( 0.207 0.000 -1.381) 1.396 12.764 ( 2.588 0.000 -2.661) 3.712 12.833 ( -1.454 0.000 -0.182) 1.465 12.904 ( 0.806 0.000 -0.686) 1.059 13.021 ( -2.002 0.000 -0.166) 2.009 13.083 ( -0.095 0.000 2.361) 2.363 13.130 ( -0.077 0.000 0.076) 0.108 13.219 ( 0.956 0.000 -0.843) 1.275 13.456 ( 3.435 0.000 -0.856) 3.540 13.526 ( 4.485 0.000 2.202) 4.997 13.560 ( 4.932 0.000 2.635) 5.592 13.637 ( 3.362 0.000 -0.690) 3.432 13.830 ( -3.518 0.000 1.492) 3.821 13.866 ( -1.505 0.000 -0.408) 1.559 13.978 ( -3.505 0.000 1.561) 3.837 13.991 ( -5.128 0.000 -1.636) 5.383 17.028 ( 1.522 0.000 -0.692) 1.672 17.084 ( 0.621 0.000 0.561) 0.837 17.212 ( -0.472 0.000 2.515) 2.559 17.261 ( -0.145 0.000 1.177) 1.186 17.275 ( 0.136 0.000 -1.081) 1.090 17.309 ( -1.419 0.000 -1.218) 1.871 17.354 ( -0.801 0.000 -1.911) 2.072 17.434 ( 1.840 0.000 1.216) 2.205 17.589 ( -8.357 0.000 -8.422) 11.865 17.681 ( -1.691 0.000 0.430) 1.745 17.702 ( -2.005 0.000 1.403) 2.447 17.738 ( 0.394 0.000 0.558) 0.684 17.778 ( -0.967 0.000 0.229) 0.994 17.850 ( 1.909 0.000 1.762) 2.598 17.864 ( 1.615 0.000 -11.441) 11.554 17.874 ( 1.183 0.000 1.335) 1.784 18.352 ( -2.469 0.000 3.715) 4.460 18.384 ( -2.314 0.000 10.929) 11.172 18.485 ( 0.698 0.000 0.380) 0.795 18.492 ( -2.002 0.000 3.350) 3.903 18.556 ( 0.078 0.000 -1.290) 1.293 18.579 ( -3.423 0.000 3.516) 4.907 18.812 ( 3.125 0.000 -3.213) 4.482 18.902 ( 0.847 0.000 -1.801) 1.991 20.209 ( 0.915 0.000 3.245) 3.372 20.368 ( 0.379 0.000 -6.067) 6.079 20.547 ( 2.951 0.000 4.110) 5.059 20.657 ( 3.834 0.000 -20.940) 21.288 21.499 ( -2.237 0.000 1.530) 2.711 21.701 ( -0.976 0.000 -2.618) 2.794 21.863 ( 0.304 0.000 0.928) 0.977 21.871 ( 0.647 0.000 -2.500) 2.582 22.212 ( 0.029 0.000 -0.559) 0.560 22.354 ( 1.984 0.000 0.602) 2.073 22.673 ( -2.102 0.000 4.773) 5.215 22.971 ( 5.786 0.000 3.161) 6.593 25.111 ( -4.129 0.000 1.366) 4.349 25.220 ( -2.350 0.000 1.717) 2.911 25.514 ( 2.591 0.000 -0.906) 2.745 25.709 ( 6.412 0.000 -1.980) 6.710 29.134 ( -0.931 0.000 -0.378) 1.005 29.174 ( -0.843 0.000 0.376) 0.924 29.253 ( -1.271 0.000 -0.282) 1.302 29.265 ( -2.190 0.000 1.450) 2.627 29.495 ( 0.580 0.000 -0.569) 0.813 29.503 ( 2.420 0.000 0.938) 2.595 29.560 ( -0.320 0.000 -0.186) 0.370 29.623 ( 1.454 0.000 1.548) 2.123 30.926 ( 0.469 0.000 0.143) 0.490 31.069 ( -3.539 0.000 -2.196) 4.165 31.183 ( 6.718 0.000 0.332) 6.726 31.394 ( 4.284 0.000 1.019) 4.404 31.753 ( -3.621 0.000 -4.160) 5.515 31.786 ( -9.817 0.000 6.520) 11.785 31.939 ( -2.274 0.000 16.495) 16.651 31.982 ( -2.690 0.000 -6.492) 7.027 32.023 ( 0.922 0.000 4.888) 4.974 32.237 ( -1.351 0.000 2.187) 2.571 32.344 ( -2.472 0.000 -0.689) 2.567 32.540 ( 6.772 0.000 -10.423) 12.430 32.898 ( -2.826 0.000 2.453) 3.742 32.937 ( -4.079 0.000 -1.644) 4.397 33.168 ( -6.716 0.000 -1.330) 6.847 33.205 ( -2.462 0.000 -2.355) 3.407 33.392 ( -0.503 0.000 -0.824) 0.966 34.084 ( -8.928 0.000 -10.535) 13.809 34.095 ( 23.923 0.000 3.526) 24.181 34.389 ( -3.631 0.000 -0.157) 3.635 34.458 ( 4.686 0.000 3.957) 6.133 35.003 ( 4.775 0.000 -4.692) 6.695 35.785 ( -9.196 0.000 6.143) 11.058 36.403 ( 4.426 0.000 8.650) 9.716 106.329 ( 0.510 0.000 0.449) 0.680 106.354 ( 0.625 0.000 -0.311) 0.698 106.392 ( 0.217 0.000 -0.307) 0.376 106.402 ( 0.612 0.000 1.635) 1.746 108.374 ( -0.835 0.000 -0.104) 0.842 108.420 ( 0.107 0.000 -0.416) 0.430 108.486 ( -0.393 0.000 -1.175) 1.239 108.510 ( 0.305 0.000 0.667) 0.734 ======================= Grid point 53 (24/84) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -25.739 0.000 20.627) 32.984 0.560 ( -30.650 0.000 14.578) 33.940 0.984 ( -57.673 0.000 20.011) 61.046 1.876 ( -1.283 0.000 3.115) 3.369 2.158 ( -5.764 0.000 6.412) 8.622 2.509 ( 9.329 0.000 -3.391) 9.926 2.563 ( 3.431 0.000 1.613) 3.791 2.638 ( 0.787 0.000 4.484) 4.552 2.761 ( 2.091 0.000 -0.088) 2.093 2.778 ( 5.903 0.000 -5.257) 7.904 2.915 ( 3.069 0.000 0.108) 3.070 3.025 ( -2.008 0.000 7.056) 7.336 3.233 ( 8.195 0.000 -4.699) 9.446 3.246 ( -3.797 0.000 3.767) 5.348 3.337 ( 9.447 0.000 8.896) 12.977 3.416 ( 1.967 0.000 -6.597) 6.884 3.425 ( -16.620 0.000 5.614) 17.542 3.568 ( 1.282 0.000 -5.428) 5.577 3.568 ( 1.442 0.000 0.910) 1.705 3.781 ( 1.987 0.000 2.939) 3.547 3.814 ( 3.785 0.000 4.941) 6.224 3.845 ( 4.559 0.000 -6.602) 8.024 4.016 ( -0.396 0.000 6.139) 6.152 4.056 ( -2.716 0.000 -4.540) 5.290 4.104 ( -4.960 0.000 -3.861) 6.285 4.272 ( -1.972 0.000 7.366) 7.626 4.342 ( -2.130 0.000 0.787) 2.270 4.389 ( 5.978 0.000 -0.692) 6.018 4.431 ( 5.552 0.000 1.475) 5.745 4.566 ( 9.243 0.000 8.569) 12.604 4.608 ( 3.063 0.000 4.325) 5.300 4.729 ( -15.620 0.000 -3.094) 15.923 4.772 ( 4.611 0.000 7.426) 8.741 4.950 ( -1.933 0.000 0.047) 1.934 4.973 ( -2.026 0.000 6.075) 6.404 5.001 ( -12.753 0.000 -4.557) 13.542 5.037 ( -0.951 0.000 -2.697) 2.860 5.226 ( 2.754 0.000 0.942) 2.911 5.299 ( 0.707 0.000 -5.533) 5.578 5.334 ( 2.828 0.000 -3.081) 4.182 5.502 ( -5.819 0.000 3.423) 6.751 5.581 ( 5.087 0.000 2.417) 5.632 5.629 ( -1.300 0.000 0.780) 1.516 5.685 ( -3.344 0.000 -1.840) 3.817 5.770 ( 4.490 0.000 -7.864) 9.055 5.798 ( 0.678 0.000 1.423) 1.576 5.971 ( 0.808 0.000 6.363) 6.414 6.086 ( -3.180 0.000 -2.935) 4.327 6.175 ( -0.383 0.000 -6.443) 6.454 6.186 ( 3.799 0.000 -4.200) 5.663 6.363 ( 9.911 0.000 -3.101) 10.385 6.377 ( 0.046 0.000 -9.129) 9.129 6.443 ( 1.686 0.000 -0.638) 1.802 6.454 ( -2.278 0.000 -5.186) 5.664 6.501 ( -1.954 0.000 -0.745) 2.091 6.530 ( 0.849 0.000 -2.207) 2.365 6.686 ( 2.376 0.000 0.815) 2.512 6.754 ( -10.283 0.000 -15.032) 18.212 6.780 ( -0.840 0.000 -1.903) 2.080 6.791 ( 3.981 0.000 -1.199) 4.157 6.826 ( -1.543 0.000 2.472) 2.914 6.943 ( -1.818 0.000 -0.190) 1.828 6.971 ( -2.061 0.000 -1.660) 2.646 7.001 ( 0.208 0.000 -1.113) 1.133 7.587 ( 1.017 0.000 -2.711) 2.895 7.594 ( 2.390 0.000 1.864) 3.031 7.728 ( -1.253 0.000 -0.622) 1.399 7.898 ( -1.608 0.000 -3.166) 3.551 7.941 ( -0.411 0.000 3.112) 3.139 8.016 ( 3.243 0.000 3.003) 4.420 8.348 ( -3.438 0.000 -3.304) 4.768 8.531 ( -5.871 0.000 -11.421) 12.842 9.251 ( -1.261 0.000 1.239) 1.768 9.320 ( 0.668 0.000 -2.299) 2.394 9.378 ( -1.441 0.000 3.496) 3.782 9.569 ( 5.617 0.000 9.933) 11.411 9.596 ( -1.469 0.000 1.517) 2.112 9.678 ( -0.414 0.000 1.356) 1.417 9.746 ( 3.178 0.000 6.652) 7.372 9.866 ( 3.584 0.000 11.864) 12.393 10.200 ( 8.113 0.000 13.219) 15.510 10.312 ( 2.891 0.000 -2.596) 3.885 10.483 ( 0.777 0.000 1.501) 1.690 10.677 ( 3.393 0.000 -1.228) 3.609 10.923 ( 0.372 0.000 1.007) 1.074 10.947 ( -2.125 0.000 -6.418) 6.761 11.071 ( 0.325 0.000 -1.695) 1.726 11.351 ( -4.967 0.000 7.513) 9.007 11.496 ( 2.282 0.000 -7.795) 8.122 12.011 ( 2.321 0.000 -8.553) 8.862 12.066 ( -3.002 0.000 3.005) 4.248 12.115 ( 0.686 0.000 3.212) 3.284 12.157 ( 1.610 0.000 -1.347) 2.100 12.317 ( -4.465 0.000 6.933) 8.246 12.350 ( 2.744 0.000 1.964) 3.374 12.440 ( -1.878 0.000 -1.270) 2.267 12.638 ( 0.510 0.000 0.594) 0.783 12.764 ( 3.352 0.000 -3.508) 4.852 12.809 ( -1.616 0.000 -3.559) 3.908 12.890 ( -0.223 0.000 -1.642) 1.657 13.004 ( -1.397 0.000 0.957) 1.693 13.116 ( -0.112 0.000 1.774) 1.777 13.133 ( -0.681 0.000 1.626) 1.763 13.227 ( 0.859 0.000 0.190) 0.880 13.495 ( 3.962 0.000 -1.419) 4.208 13.590 ( 2.606 0.000 -1.944) 3.251 13.663 ( 4.987 0.000 1.338) 5.163 13.669 ( 2.471 0.000 -1.026) 2.675 13.789 ( -3.362 0.000 0.034) 3.362 13.836 ( -0.298 0.000 -1.827) 1.851 13.884 ( -5.482 0.000 -2.423) 5.993 13.933 ( -3.820 0.000 -0.234) 3.827 17.051 ( 2.529 0.000 1.276) 2.833 17.097 ( 0.148 0.000 0.379) 0.407 17.223 ( -0.965 0.000 0.207) 0.987 17.246 ( -1.245 0.000 -1.248) 1.763 17.268 ( 0.548 0.000 -0.353) 0.652 17.283 ( -0.017 0.000 -0.525) 0.526 17.325 ( -2.162 0.000 0.511) 2.222 17.412 ( -1.504 0.000 -3.598) 3.899 17.464 ( 0.513 0.000 0.629) 0.811 17.607 ( -9.030 0.000 -17.331) 19.542 17.654 ( -1.093 0.000 -0.716) 1.307 17.686 ( -1.857 0.000 0.664) 1.973 17.762 ( -1.523 0.000 1.179) 1.926 17.786 ( 0.970 0.000 0.976) 1.376 17.879 ( 0.400 0.000 0.087) 0.409 17.899 ( -0.289 0.000 1.325) 1.357 18.347 ( -1.905 0.000 1.464) 2.403 18.497 ( -2.343 0.000 0.659) 2.434 18.504 ( 1.615 0.000 -0.816) 1.809 18.512 ( -1.384 0.000 3.287) 3.567 18.524 ( -0.341 0.000 -2.568) 2.591 18.698 ( 7.372 0.000 15.551) 17.209 18.823 ( 3.698 0.000 -2.699) 4.578 18.890 ( 0.466 0.000 -1.231) 1.316 20.235 ( -11.654 0.000 -22.642) 25.465 20.259 ( -1.001 0.000 4.126) 4.245 20.353 ( 0.072 0.000 -1.351) 1.353 20.613 ( 0.136 0.000 2.455) 2.459 21.503 ( -2.654 0.000 3.803) 4.638 21.672 ( 0.191 0.000 -0.966) 0.985 21.867 ( 1.021 0.000 0.096) 1.026 21.921 ( 3.797 0.000 6.243) 7.307 22.209 ( 0.613 0.000 -0.388) 0.726 22.370 ( 1.054 0.000 -1.380) 1.737 22.567 ( -10.013 0.000 -17.184) 19.888 23.044 ( 2.772 0.000 -1.451) 3.129 25.086 ( -2.762 0.000 2.469) 3.705 25.405 ( 12.252 0.000 24.106) 27.041 25.531 ( 1.930 0.000 -1.583) 2.496 25.763 ( 4.390 0.000 -1.451) 4.623 29.122 ( -0.203 0.000 -0.294) 0.357 29.164 ( -0.617 0.000 -0.115) 0.628 29.231 ( -3.468 0.000 -4.230) 5.470 29.234 ( -0.590 0.000 -0.578) 0.826 29.498 ( 0.252 0.000 0.130) 0.284 29.561 ( 0.050 0.000 0.487) 0.490 29.563 ( 3.159 0.000 1.620) 3.550 29.654 ( 0.100 0.000 1.286) 1.289 30.952 ( 1.948 0.000 1.037) 2.207 31.010 ( -2.733 0.000 -0.531) 2.784 31.283 ( 8.479 0.000 -3.048) 9.011 31.499 ( 4.055 0.000 5.925) 7.180 31.697 ( -1.039 0.000 0.790) 1.305 31.708 ( -11.575 0.000 3.672) 12.144 31.923 ( 0.562 0.000 -0.047) 0.564 32.043 ( -0.590 0.000 -3.376) 3.427 32.120 ( -9.056 0.000 -13.140) 15.958 32.243 ( -1.485 0.000 1.752) 2.296 32.291 ( -2.615 0.000 -1.157) 2.860 32.661 ( 20.933 0.000 34.049) 39.969 32.874 ( -3.132 0.000 0.709) 3.211 32.902 ( 1.635 0.000 -1.136) 1.991 33.064 ( -5.935 0.000 -0.530) 5.958 33.172 ( 1.423 0.000 0.533) 1.520 33.316 ( -3.872 0.000 -2.991) 4.893 33.979 ( 1.933 0.000 11.477) 11.639 34.308 ( 11.928 0.000 -7.311) 13.990 34.371 ( -1.801 0.000 1.956) 2.658 34.695 ( 13.340 0.000 8.967) 16.074 34.909 ( -6.638 0.000 -7.703) 10.168 35.708 ( -6.520 0.000 -0.704) 6.558 36.244 ( -19.722 0.000 -42.807) 47.131 106.339 ( 0.212 0.000 0.133) 0.251 106.357 ( 0.505 0.000 -0.529) 0.732 106.393 ( 0.265 0.000 -0.128) 0.294 106.422 ( -0.337 0.000 -1.210) 1.256 108.365 ( -0.511 0.000 0.225) 0.559 108.418 ( 0.107 0.000 -0.159) 0.192 108.438 ( -2.227 0.000 -3.105) 3.821 108.516 ( -0.032 0.000 -0.127) 0.130 ======================= Grid point 54 (25/84) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -4.914 23.090 16.800) 28.975 0.963 ( 0.952 26.790 19.567) 33.188 1.371 ( -1.816 24.488 38.490) 45.656 1.881 ( -2.155 -4.888 2.477) 5.888 2.107 ( -1.721 -7.828 12.687) 15.007 2.605 ( 5.899 0.528 1.788) 6.186 2.633 ( 1.903 -5.855 1.657) 6.375 2.699 ( 4.293 -8.076 0.316) 9.152 2.798 ( 2.072 3.606 -3.358) 5.345 2.854 ( 4.131 0.181 -5.806) 7.128 2.996 ( 3.069 -2.502 6.860) 7.921 3.043 ( -1.201 1.975 9.063) 9.353 3.075 ( -2.706 -12.985 4.401) 13.975 3.215 ( -6.762 -2.543 4.076) 8.295 3.327 ( 2.790 -2.414 1.026) 3.830 3.412 ( -1.981 4.290 -4.943) 6.839 3.450 ( -7.436 -4.457 -5.923) 10.499 3.515 ( 6.873 1.077 3.071) 7.605 3.598 ( 2.091 7.983 2.486) 8.619 3.743 ( -0.905 -2.685 1.414) 3.167 3.865 ( 4.856 -4.868 6.386) 9.384 3.911 ( 0.163 -3.913 7.400) 8.373 3.971 ( -3.592 -4.211 4.024) 6.843 4.132 ( 3.538 7.819 -3.166) 9.147 4.185 ( -0.426 -4.198 2.137) 4.730 4.291 ( -6.042 -0.396 -1.948) 6.361 4.349 ( 3.218 -10.228 3.865) 11.397 4.448 ( 3.841 -1.196 3.752) 5.501 4.489 ( -3.320 -1.233 8.483) 9.193 4.583 ( 4.896 7.363 0.555) 8.860 4.623 ( -1.988 5.160 1.971) 5.871 4.710 ( 2.616 7.612 -1.069) 8.119 4.820 ( -5.062 3.172 3.009) 6.689 4.864 ( -1.251 -3.690 -1.052) 4.035 4.950 ( 7.497 -4.198 5.723) 10.323 5.094 ( -5.042 10.662 -5.635) 13.071 5.148 ( -2.106 -2.050 -1.121) 3.146 5.198 ( 2.530 -3.596 0.593) 4.437 5.242 ( 0.361 2.029 -4.658) 5.094 5.343 ( -4.114 -6.306 -2.736) 8.011 5.456 ( -2.791 -0.410 -4.087) 4.966 5.538 ( 1.099 1.749 0.177) 2.073 5.603 ( -0.324 -2.442 -0.083) 2.464 5.620 ( -4.042 0.155 -0.876) 4.138 5.841 ( 8.607 -1.464 0.561) 8.749 5.916 ( -4.010 3.481 -2.088) 5.706 5.950 ( 5.178 2.285 -4.289) 7.101 5.991 ( -0.524 -1.024 0.827) 1.417 6.057 ( -0.639 -1.585 -7.172) 7.373 6.092 ( -2.354 0.199 -6.362) 6.787 6.167 ( -2.368 -3.979 0.223) 4.636 6.299 ( 0.015 -2.423 -6.625) 7.054 6.398 ( 1.166 -6.435 0.311) 6.547 6.428 ( -0.807 1.233 -5.199) 5.403 6.483 ( 0.652 0.727 -2.909) 3.068 6.522 ( 1.841 -1.690 -0.186) 2.506 6.682 ( 2.123 -2.503 -0.004) 3.282 6.760 ( -0.523 -7.621 -1.321) 7.752 6.771 ( -1.203 2.958 -0.073) 3.194 6.800 ( -1.831 -2.083 3.498) 4.464 6.872 ( 2.646 1.200 -0.756) 3.002 6.916 ( 0.557 -0.786 -2.052) 2.266 7.099 ( 1.412 13.139 -3.144) 13.584 7.186 ( 10.610 16.942 -13.454) 24.096 7.550 ( 0.360 -1.363 -3.762) 4.017 7.589 ( -2.555 -1.244 -1.513) 3.220 7.783 ( 4.202 2.965 -4.595) 6.896 7.845 ( -2.519 4.275 -6.702) 8.339 7.961 ( -4.304 0.864 -0.859) 4.473 8.067 ( -0.483 0.829 2.740) 2.903 8.176 ( -10.736 0.992 -2.355) 11.036 8.266 ( -0.645 -0.300 -4.871) 4.923 9.237 ( -1.544 0.619 -0.285) 1.687 9.304 ( 1.044 -0.848 -1.100) 1.737 9.441 ( -0.697 1.479 4.891) 5.157 9.561 ( 0.696 -2.726 2.878) 4.025 9.683 ( 2.558 2.549 0.595) 3.660 9.723 ( 0.523 0.668 4.889) 4.962 9.801 ( -2.621 1.571 4.805) 5.694 10.036 ( 4.935 -1.974 1.197) 5.448 10.271 ( 1.360 -6.543 5.973) 8.963 10.411 ( 3.838 -7.103 1.631) 8.236 10.577 ( -2.321 -5.717 4.432) 7.597 10.683 ( 0.827 -5.273 -0.575) 5.368 10.794 ( -5.867 0.185 -7.291) 9.360 10.829 ( -2.193 0.471 -8.574) 8.862 11.132 ( 10.066 1.402 0.675) 10.185 11.295 ( 0.225 -1.092 -1.655) 1.996 11.524 ( -1.028 7.915 -7.716) 11.101 11.721 ( -9.579 -1.582 -4.492) 10.698 12.084 ( -0.477 0.983 3.108) 3.295 12.153 ( 0.055 1.705 4.140) 4.478 12.191 ( 0.624 -0.748 2.909) 3.068 12.308 ( -1.391 -1.634 2.944) 3.643 12.367 ( -1.454 1.437 3.327) 3.905 12.446 ( -1.577 -0.449 4.839) 5.109 12.669 ( 0.843 0.262 2.115) 2.292 12.729 ( 1.089 -0.777 -1.682) 2.149 12.801 ( 3.394 1.961 -2.374) 4.583 12.885 ( 0.195 1.184 -2.804) 3.050 13.002 ( -0.581 0.330 0.915) 1.133 13.123 ( -1.301 -0.187 0.656) 1.469 13.154 ( -1.152 0.458 0.414) 1.307 13.219 ( 0.044 -1.409 -0.962) 1.707 13.532 ( 0.983 1.175 -1.073) 1.871 13.569 ( -0.435 0.525 -1.667) 1.801 13.660 ( -1.700 -0.463 -2.601) 3.142 13.664 ( -1.774 -0.706 -1.994) 2.761 13.743 ( -0.847 0.359 -1.368) 1.649 13.827 ( 3.707 -0.281 -1.618) 4.055 13.841 ( 1.211 -0.440 -0.237) 1.310 13.887 ( -0.713 -0.352 -1.023) 1.295 17.088 ( -1.087 -0.219 0.186) 1.124 17.138 ( -1.464 -0.962 -1.184) 2.114 17.178 ( -0.414 -1.469 -1.809) 2.367 17.199 ( 0.717 -2.821 -0.055) 2.911 17.287 ( 0.358 0.773 -0.402) 0.942 17.311 ( -1.496 0.035 0.760) 1.678 17.357 ( 3.442 2.796 0.796) 4.506 17.423 ( 4.349 0.428 0.167) 4.373 17.463 ( 0.192 -0.129 0.292) 0.372 17.517 ( 10.704 -1.283 2.697) 11.113 17.640 ( -0.214 0.379 -1.473) 1.535 17.679 ( -0.935 0.108 -0.267) 0.979 17.764 ( -0.994 0.557 1.275) 1.710 17.807 ( 0.964 -0.969 1.069) 1.735 17.877 ( -0.351 0.528 -0.940) 1.134 17.900 ( -0.630 0.181 -0.933) 1.140 18.343 ( -1.471 0.101 1.521) 2.119 18.367 ( -5.862 -1.905 1.033) 6.250 18.483 ( -0.568 0.685 -1.485) 1.732 18.517 ( -0.213 -0.504 -0.148) 0.567 18.531 ( 0.100 0.326 0.579) 0.672 18.603 ( -6.395 -4.214 4.808) 9.043 18.855 ( 2.157 1.236 -2.144) 3.283 18.904 ( 1.010 0.527 -1.082) 1.572 20.253 ( -0.876 -1.925 3.633) 4.204 20.340 ( 18.693 -7.588 7.122) 21.395 20.443 ( 1.157 3.203 4.165) 5.380 20.600 ( -2.578 -1.138 1.103) 3.026 21.525 ( -2.803 2.029 3.348) 4.815 21.670 ( 0.987 -1.433 1.062) 2.039 21.905 ( 1.365 0.240 2.459) 2.823 22.006 ( -6.661 -7.269 6.559) 11.842 22.097 ( 4.076 0.421 2.533) 4.817 22.190 ( 0.559 -2.210 0.343) 2.305 22.553 ( 0.088 9.662 -6.475) 11.631 22.965 ( -1.118 -4.497 -5.696) 7.343 25.108 ( -1.537 1.227 3.943) 4.406 25.386 ( -3.010 -13.128 8.924) 16.157 25.583 ( -0.393 1.518 0.709) 1.721 25.772 ( 1.491 -2.361 -1.167) 3.027 29.097 ( -0.218 -0.412 -0.250) 0.529 29.128 ( -0.221 -0.991 -1.044) 1.456 29.200 ( 0.049 2.717 -0.928) 2.871 29.233 ( 0.109 0.829 -0.716) 1.101 29.527 ( 0.528 1.449 -0.200) 1.556 29.556 ( 0.027 -0.316 0.373) 0.489 29.599 ( -0.842 0.945 0.784) 1.489 29.650 ( -0.999 -0.493 0.473) 1.211 30.984 ( -1.149 0.308 0.869) 1.473 31.009 ( 2.614 -0.185 1.540) 3.040 31.277 ( -3.263 -0.569 -2.170) 3.960 31.349 ( -0.519 -1.761 -2.641) 3.216 31.608 ( -1.108 1.057 1.607) 2.220 31.759 ( -5.006 -3.295 4.464) 7.473 31.877 ( -0.813 5.669 2.182) 6.128 31.987 ( 2.458 -0.674 6.152) 6.659 32.112 ( -1.957 1.007 6.409) 6.776 32.234 ( -1.059 0.066 0.380) 1.127 32.466 ( 2.022 11.296 -1.299) 11.549 32.726 ( -0.676 -7.203 3.477) 8.027 32.861 ( 0.150 0.445 0.250) 0.532 32.916 ( -1.686 -0.531 -0.546) 1.850 33.175 ( -3.434 3.866 -2.697) 5.832 33.277 ( 1.302 8.870 -6.337) 10.979 33.587 ( 3.849 5.743 -7.715) 10.360 34.084 ( -9.301 -3.781 -5.002) 11.217 34.221 ( 8.635 -7.117 -4.334) 12.000 34.414 ( -2.334 -3.498 -6.583) 7.812 34.748 ( -5.970 11.507 -1.126) 13.013 35.010 ( 10.059 1.116 5.287) 11.418 35.554 ( 4.075 -2.720 -4.355) 6.555 35.573 ( -2.597 -2.321 -5.217) 6.272 106.354 ( 0.306 0.324 -0.593) 0.741 106.367 ( 0.629 1.154 -1.180) 1.766 106.384 ( -1.411 0.493 -0.394) 1.546 106.399 ( -0.228 0.210 -0.087) 0.322 108.394 ( -0.451 1.594 -0.833) 1.854 108.420 ( 0.778 -0.158 -0.116) 0.802 108.440 ( 1.325 0.793 -0.239) 1.562 108.501 ( -0.277 -0.592 -0.828) 1.055 ======================= Grid point 55 (26/84) ======================= q-point: ( 0.11 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 11.937 13.347 20.394) 27.139 1.318 ( 15.048 21.264 16.303) 30.731 1.915 ( 6.274 -2.747 7.235) 9.962 1.942 ( 7.677 7.494 23.881) 26.180 2.274 ( 0.702 -5.295 11.628) 12.796 2.591 ( 4.282 -0.762 -4.563) 6.304 2.706 ( -0.880 -8.842 -0.298) 8.890 2.750 ( 5.267 -0.443 -7.560) 9.224 2.775 ( 0.891 4.281 2.743) 5.162 2.821 ( -0.687 -5.772 1.768) 6.075 3.004 ( -1.550 -5.917 -4.262) 7.455 3.133 ( 2.329 -4.222 4.172) 6.376 3.211 ( 0.412 -0.560 5.330) 5.375 3.251 ( -8.140 -2.057 7.152) 11.029 3.341 ( -2.443 4.381 8.870) 10.190 3.397 ( 3.584 0.210 12.297) 12.810 3.424 ( 5.331 -1.865 5.630) 7.975 3.618 ( 3.641 -1.477 -0.088) 3.930 3.648 ( -3.024 10.060 6.987) 12.616 3.796 ( 0.483 -1.588 4.474) 4.772 3.867 ( -10.401 2.637 3.951) 11.435 3.965 ( -0.662 -9.139 2.348) 9.460 4.043 ( 0.159 -5.958 -0.827) 6.017 4.075 ( -1.916 6.339 -2.265) 6.999 4.181 ( -4.359 -2.560 -0.928) 5.140 4.204 ( 3.439 0.445 0.507) 3.505 4.355 ( -1.797 -4.572 -3.453) 6.004 4.470 ( -2.358 -0.993 1.172) 2.815 4.614 ( 4.261 -2.762 2.700) 5.751 4.635 ( 4.882 0.944 -1.469) 5.185 4.733 ( 1.447 2.320 8.819) 9.233 4.771 ( -1.550 2.946 2.142) 3.958 4.815 ( 5.279 7.217 0.319) 8.947 4.828 ( -0.772 2.824 1.415) 3.251 4.938 ( -4.226 6.797 -4.891) 9.380 5.051 ( 0.212 0.021 -2.721) 2.729 5.106 ( -2.347 -3.150 1.262) 4.126 5.164 ( 2.114 -1.800 -6.371) 6.950 5.199 ( -1.780 -4.372 -2.560) 5.370 5.284 ( 0.082 -2.498 -2.821) 3.769 5.394 ( 2.487 4.052 -4.499) 6.545 5.457 ( -5.873 8.419 -5.806) 11.794 5.573 ( 1.315 -4.253 -2.029) 4.893 5.615 ( 0.637 -5.095 0.770) 5.192 5.777 ( -9.548 0.230 -1.793) 9.718 5.848 ( -2.913 -2.830 -6.950) 8.050 5.924 ( 3.739 -2.636 -8.856) 9.968 5.985 ( 0.165 2.003 -2.372) 3.109 6.017 ( 2.413 4.087 -1.151) 4.884 6.041 ( 1.935 -0.451 -4.770) 5.167 6.175 ( -0.863 -0.792 1.857) 2.195 6.209 ( -1.868 -1.254 -1.071) 2.492 6.381 ( -2.255 6.283 -1.637) 6.873 6.391 ( 4.093 -11.254 -0.568) 11.989 6.462 ( -0.871 -3.889 -1.632) 4.306 6.547 ( 0.527 -1.662 -0.615) 1.849 6.664 ( -2.616 -0.911 -1.502) 3.151 6.700 ( -2.170 -4.712 -5.751) 7.745 6.732 ( -3.815 0.866 -0.212) 3.917 6.791 ( -2.096 0.485 -2.537) 3.326 6.882 ( 3.885 2.516 3.768) 5.969 6.968 ( 3.872 -2.229 1.057) 4.591 7.051 ( -0.957 10.176 -5.760) 11.732 7.220 ( 11.505 5.041 -7.039) 14.399 7.466 ( -6.294 -1.325 -0.670) 6.467 7.534 ( -1.253 -1.419 -2.782) 3.365 7.685 ( -6.152 4.685 -5.013) 9.216 7.757 ( -1.023 -0.758 -4.239) 4.426 7.896 ( -0.672 4.491 -0.593) 4.580 8.079 ( -1.723 1.699 1.753) 2.988 8.122 ( -0.862 -1.086 1.394) 1.966 8.215 ( 1.499 -0.557 -5.084) 5.330 9.216 ( -0.770 1.187 -0.148) 1.423 9.313 ( 1.755 -1.074 -0.606) 2.145 9.483 ( 0.197 1.517 2.305) 2.767 9.611 ( 2.314 -2.205 0.695) 3.271 9.742 ( 1.130 1.295 4.393) 4.717 9.800 ( -0.379 -0.743 5.321) 5.386 9.869 ( 1.966 4.218 7.616) 8.925 10.088 ( 2.822 0.589 -0.160) 2.888 10.344 ( -0.291 -4.464 2.953) 5.360 10.405 ( -4.493 -4.197 -0.562) 6.173 10.457 ( -4.746 1.426 -5.267) 7.231 10.573 ( -1.684 -0.677 -7.356) 7.576 10.741 ( 0.545 -0.495 -3.037) 3.125 10.806 ( 0.174 -6.655 1.728) 6.878 11.102 ( -4.833 4.748 -9.942) 12.031 11.286 ( 6.908 -4.448 -7.641) 11.220 11.502 ( -1.320 1.387 4.258) 4.668 11.597 ( -4.628 -0.855 1.542) 4.952 12.129 ( 0.252 1.390 4.223) 4.453 12.217 ( 0.733 0.960 4.690) 4.843 12.253 ( 2.543 -2.730 2.361) 4.415 12.328 ( -0.936 -1.569 3.053) 3.558 12.410 ( 1.018 2.961 3.560) 4.741 12.497 ( -1.276 0.475 5.832) 5.989 12.690 ( 0.532 0.358 -0.974) 1.166 12.749 ( 2.386 -1.434 1.029) 2.968 12.839 ( 2.451 0.774 0.285) 2.586 12.858 ( 2.652 1.323 -3.059) 4.259 13.024 ( 0.914 -0.649 1.752) 2.080 13.100 ( -1.956 1.280 -0.278) 2.354 13.147 ( -1.238 -0.910 0.529) 1.625 13.200 ( 0.014 -2.678 -1.789) 3.220 13.498 ( -3.336 0.474 -0.968) 3.505 13.520 ( -2.879 1.379 -1.694) 3.614 13.556 ( -5.600 -0.250 -2.331) 6.071 13.630 ( -0.894 -1.941 -1.639) 2.693 13.743 ( 2.845 2.556 -1.543) 4.125 13.828 ( 1.634 0.691 -2.196) 2.823 13.864 ( 1.981 -0.939 -1.850) 2.868 13.916 ( 4.953 -1.543 -0.497) 5.211 17.071 ( -2.354 -0.807 0.639) 2.569 17.088 ( -0.972 -0.184 -0.853) 1.307 17.151 ( -0.245 -0.923 -1.368) 1.668 17.206 ( 0.636 -2.426 -0.459) 2.550 17.283 ( -0.012 0.631 -0.615) 0.881 17.301 ( -0.531 0.525 0.074) 0.750 17.412 ( 1.771 1.341 1.331) 2.590 17.446 ( -1.142 0.771 -0.646) 1.522 17.547 ( 8.247 0.797 0.107) 8.286 17.600 ( 0.627 0.016 -3.358) 3.416 17.646 ( -1.453 -0.367 -2.076) 2.560 17.700 ( 7.574 -1.713 0.574) 7.786 17.775 ( -0.001 0.401 2.163) 2.200 17.827 ( -0.372 -1.312 0.880) 1.623 17.863 ( 0.294 0.261 -1.125) 1.191 17.890 ( 2.068 0.232 -0.859) 2.251 18.317 ( -2.824 0.954 1.039) 3.157 18.344 ( -0.799 0.174 1.085) 1.359 18.458 ( 0.731 1.538 -2.045) 2.661 18.505 ( -0.907 -0.981 -0.383) 1.390 18.534 ( 0.211 0.607 -0.429) 0.772 18.577 ( -6.209 -1.581 5.266) 8.294 18.862 ( 2.330 1.132 -1.756) 3.130 18.909 ( 1.209 0.098 -0.718) 1.410 20.253 ( -3.906 0.917 1.979) 4.474 20.505 ( -2.588 -3.979 -1.265) 4.912 20.546 ( 2.920 1.088 6.051) 6.806 20.668 ( 12.015 -6.309 0.775) 13.592 21.540 ( -0.968 1.976 3.154) 3.846 21.713 ( 2.310 -1.849 2.023) 3.584 21.940 ( -4.160 -0.988 2.485) 4.946 21.984 ( 0.706 0.034 3.949) 4.012 22.199 ( 2.484 -0.932 -0.481) 2.696 22.233 ( 2.496 -3.324 3.062) 5.163 22.482 ( -0.291 7.122 -3.211) 7.818 22.826 ( -4.842 -3.764 -9.047) 10.930 25.148 ( -0.768 1.446 4.645) 4.925 25.409 ( -4.294 -8.033 4.256) 10.054 25.565 ( -2.919 1.927 0.424) 3.523 25.758 ( -1.430 -2.641 -1.048) 3.181 29.105 ( 1.945 -0.435 -0.799) 2.147 29.125 ( 1.180 -0.794 -0.352) 1.465 29.201 ( 0.968 2.010 -0.236) 2.243 29.235 ( 1.522 0.941 -0.704) 1.923 29.531 ( -0.398 0.976 0.506) 1.170 29.551 ( -1.176 0.563 0.072) 1.305 29.599 ( -0.955 0.965 1.451) 1.987 29.634 ( -1.838 -0.352 0.217) 1.884 30.989 ( -0.810 1.652 2.181) 2.853 31.087 ( 4.078 -1.396 3.309) 5.434 31.180 ( -3.693 1.651 -2.881) 4.966 31.322 ( 2.800 -1.254 -4.377) 5.345 31.642 ( 0.056 -0.066 3.201) 3.202 31.743 ( -3.017 -3.780 3.288) 5.849 31.957 ( 2.159 5.475 5.153) 7.822 32.109 ( 0.467 -1.409 6.711) 6.874 32.195 ( 0.061 1.990 6.470) 6.769 32.227 ( 0.803 0.908 3.203) 3.425 32.483 ( 0.322 11.810 0.355) 11.820 32.719 ( -1.457 -2.662 -2.083) 3.681 32.843 ( -1.165 1.030 -2.082) 2.599 32.889 ( -0.302 -1.118 -0.824) 1.421 33.124 ( 1.038 3.536 -0.298) 3.697 33.227 ( 3.591 8.033 -5.252) 10.247 33.510 ( -9.758 -3.303 1.739) 10.447 33.969 ( -12.497 -10.691 -9.161) 18.825 34.144 ( 6.456 1.787 -3.774) 7.688 34.305 ( 6.318 -3.110 -3.781) 7.993 34.752 ( -2.616 9.749 7.241) 12.422 35.163 ( 3.221 -0.868 2.563) 4.207 35.404 ( -2.116 -0.257 -10.523) 10.737 35.671 ( 11.866 -6.951 -8.606) 16.223 106.340 ( -0.937 1.034 -0.656) 1.542 106.355 ( 0.368 0.809 -0.799) 1.195 106.376 ( -0.620 -0.221 0.388) 0.764 106.398 ( 0.001 -0.281 0.060) 0.287 108.390 ( 0.213 1.185 0.168) 1.216 108.429 ( 0.650 -0.154 -0.090) 0.674 108.453 ( 1.129 0.010 -0.434) 1.210 108.483 ( -0.430 -0.455 -1.175) 1.331 ======================= Grid point 56 (27/84) ======================= q-point: ( 0.22 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 12.130 6.214 19.730) 23.980 1.765 ( 21.815 13.746 11.552) 28.254 2.076 ( 10.665 -1.757 2.493) 11.092 2.145 ( 8.562 0.141 -7.784) 11.572 2.334 ( -1.791 -0.635 -0.404) 1.943 2.628 ( 3.157 1.174 -6.327) 7.168 2.702 ( -4.358 1.669 4.138) 6.238 2.753 ( 5.233 -1.193 -3.734) 6.539 2.834 ( 0.248 2.395 7.416) 7.797 2.907 ( -2.588 -2.494 0.427) 3.620 2.982 ( 8.426 -3.759 4.879) 10.437 3.158 ( -1.868 -6.089 5.285) 8.277 3.208 ( 5.227 -12.256 -0.925) 13.356 3.362 ( -7.491 0.005 13.900) 15.790 3.464 ( -2.949 1.001 8.951) 9.477 3.515 ( 0.744 0.297 3.245) 3.342 3.576 ( -5.699 -1.796 4.044) 7.215 3.589 ( -6.406 6.474 4.291) 10.067 3.742 ( -8.014 5.105 11.445) 14.875 3.794 ( -0.044 4.738 8.853) 10.041 3.802 ( -7.159 1.469 -0.145) 7.309 3.937 ( 1.921 -1.638 -2.910) 3.853 3.995 ( 0.294 -5.483 2.931) 6.224 4.094 ( 2.620 0.322 -1.390) 2.984 4.185 ( 3.150 -1.724 -1.139) 3.767 4.233 ( 1.801 -3.018 -7.777) 8.534 4.284 ( 6.676 -1.562 -6.581) 9.504 4.458 ( -0.521 -0.411 0.013) 0.664 4.609 ( 2.631 5.055 -3.515) 6.695 4.670 ( -3.422 2.138 -2.524) 4.759 4.714 ( -2.008 3.706 -3.296) 5.351 4.746 ( -5.433 -4.351 7.261) 10.058 4.853 ( -1.794 4.489 1.802) 5.159 4.923 ( 8.023 0.168 -0.459) 8.038 4.954 ( 8.847 0.432 -1.327) 8.956 4.993 ( -3.975 -0.250 -2.532) 4.719 5.071 ( 0.310 -3.942 -1.640) 4.281 5.139 ( 0.410 -1.853 -3.108) 3.642 5.195 ( 1.210 -0.392 0.047) 1.273 5.229 ( -1.345 -1.661 0.054) 2.138 5.302 ( -2.063 4.125 -4.184) 6.227 5.433 ( 1.838 3.143 2.954) 4.689 5.544 ( -0.396 -2.123 -4.619) 5.098 5.614 ( -3.844 -5.092 -0.957) 6.452 5.640 ( -5.001 -3.269 -0.149) 5.976 5.748 ( -3.008 0.432 -1.491) 3.385 5.876 ( 4.699 4.318 -6.291) 8.961 5.926 ( -4.570 2.944 -4.571) 7.102 5.963 ( 2.392 6.380 -2.470) 7.248 6.018 ( -2.518 1.379 -3.745) 4.719 6.150 ( -2.101 4.403 2.129) 5.323 6.235 ( -1.681 -5.064 1.426) 5.523 6.326 ( -3.570 1.290 -1.236) 3.992 6.425 ( 1.939 -8.340 -0.985) 8.619 6.456 ( -1.798 -3.487 0.925) 4.031 6.501 ( -1.820 -1.974 -5.576) 6.189 6.560 ( -5.150 2.230 -3.211) 6.466 6.630 ( 1.327 -2.109 0.426) 2.528 6.697 ( -2.960 -2.735 2.296) 4.638 6.790 ( 3.943 -3.924 -0.592) 5.594 6.927 ( -1.720 7.868 -4.422) 9.188 6.985 ( 4.818 3.683 1.184) 6.179 7.055 ( 3.520 -0.637 1.176) 3.766 7.266 ( 7.457 0.984 -7.613) 10.702 7.413 ( -4.969 -1.217 4.934) 7.107 7.477 ( -2.275 -1.976 -2.311) 3.797 7.565 ( -3.517 2.465 -3.048) 5.267 7.660 ( -5.280 -0.626 -3.614) 6.429 7.907 ( 0.778 4.075 1.196) 4.318 8.079 ( -0.595 1.146 0.918) 1.584 8.129 ( 1.427 -2.330 -1.855) 3.302 8.178 ( -0.198 -0.028 -1.030) 1.049 9.216 ( 0.227 1.573 0.622) 1.707 9.335 ( 2.150 -1.302 -0.477) 2.559 9.510 ( 0.654 1.787 1.059) 2.178 9.633 ( 1.993 -1.302 -1.653) 2.898 9.830 ( 1.329 -0.017 6.372) 6.509 9.857 ( 0.001 -0.321 4.276) 4.288 10.000 ( 3.438 2.243 4.695) 6.236 10.117 ( 1.198 0.960 -0.231) 1.553 10.274 ( -6.067 0.149 -1.290) 6.205 10.330 ( -0.600 -0.663 -5.276) 5.351 10.362 ( -2.335 0.551 -6.525) 6.952 10.542 ( 1.214 -3.784 2.434) 4.660 10.737 ( 1.084 0.246 0.705) 1.316 10.790 ( -0.976 -2.499 -2.532) 3.689 10.910 ( -4.215 3.777 -7.823) 9.656 11.234 ( -0.883 -6.553 -4.925) 8.245 11.542 ( -1.008 0.218 3.953) 4.086 11.596 ( -1.609 -1.015 2.747) 3.342 12.201 ( 1.999 0.949 4.495) 5.010 12.282 ( 0.843 0.505 2.748) 2.919 12.319 ( 3.572 -3.539 1.848) 5.357 12.352 ( -0.797 -1.421 2.139) 2.689 12.481 ( 1.803 3.582 3.745) 5.487 12.542 ( -1.997 1.641 4.047) 4.802 12.676 ( 1.636 0.538 -2.978) 3.440 12.789 ( 1.321 -1.418 -0.128) 1.942 12.852 ( 2.368 0.858 0.005) 2.519 12.900 ( 2.300 -1.389 0.169) 2.692 13.042 ( -1.320 -0.033 0.975) 1.641 13.089 ( 1.105 0.154 -0.345) 1.168 13.127 ( -0.684 -0.130 -0.673) 0.968 13.183 ( 0.402 -2.985 -0.938) 3.155 13.430 ( -3.679 1.708 -1.449) 4.307 13.462 ( -4.031 0.439 -0.875) 4.149 13.469 ( -3.789 -0.220 0.787) 3.876 13.598 ( -1.801 -2.782 -0.538) 3.358 13.766 ( 2.771 3.642 -1.409) 4.788 13.822 ( 1.425 0.786 -1.881) 2.488 13.874 ( 2.661 -0.662 -1.817) 3.289 13.967 ( 3.812 -2.029 -1.210) 4.485 17.054 ( -0.886 -0.662 0.544) 1.233 17.086 ( 0.361 -0.514 0.595) 0.865 17.139 ( 0.086 0.152 -0.389) 0.427 17.208 ( 0.458 -1.173 -0.596) 1.393 17.275 ( -0.073 0.722 -0.189) 0.750 17.301 ( 0.325 -0.446 0.483) 0.733 17.401 ( -2.632 1.214 -0.958) 3.053 17.456 ( 1.407 0.437 0.861) 1.706 17.535 ( -0.231 -0.072 -4.827) 4.833 17.557 ( -2.668 -0.756 -5.102) 5.807 17.645 ( 3.779 1.681 -0.677) 4.191 17.757 ( 1.814 -0.812 -0.523) 2.055 17.815 ( 0.469 -0.455 0.590) 0.880 17.842 ( 0.332 -0.902 0.965) 1.362 17.873 ( 3.583 1.071 1.060) 3.887 17.929 ( 3.261 -0.760 -0.244) 3.357 18.311 ( -0.272 1.315 1.007) 1.678 18.348 ( -0.458 0.242 0.963) 1.094 18.452 ( 1.318 1.059 -1.258) 2.107 18.485 ( -1.145 -0.919 -0.333) 1.506 18.533 ( 0.161 1.055 0.027) 1.068 18.563 ( -5.549 -0.613 5.359) 7.738 18.874 ( 2.303 0.972 -1.488) 2.909 18.913 ( 0.914 -0.181 -1.099) 1.441 20.210 ( -3.409 2.020 0.003) 3.963 20.415 ( -5.571 -2.025 -1.879) 6.218 20.676 ( 4.025 0.657 5.053) 6.494 20.796 ( 6.959 -4.307 -1.419) 8.306 21.572 ( 0.086 2.027 2.428) 3.164 21.779 ( 2.582 -3.293 2.268) 4.759 21.918 ( -1.056 2.218 1.201) 2.734 22.071 ( 2.349 -0.913 5.119) 5.706 22.210 ( -0.427 -0.101 -0.776) 0.891 22.239 ( -0.146 0.737 -2.782) 2.881 22.486 ( -0.392 0.075 3.716) 3.738 22.612 ( -6.985 -2.344 -10.728) 13.014 25.200 ( -0.400 1.381 4.442) 4.669 25.397 ( -3.329 -4.891 2.558) 6.445 25.522 ( -2.838 2.456 -0.462) 3.781 25.706 ( -3.558 -2.728 -1.449) 4.712 29.123 ( 2.054 -0.263 -0.753) 2.204 29.151 ( 2.348 -0.584 0.060) 2.421 29.217 ( 1.758 1.037 -0.224) 2.053 29.256 ( 2.255 0.867 -0.433) 2.455 29.516 ( -2.270 0.589 0.194) 2.354 29.539 ( -0.654 0.683 0.130) 0.955 29.603 ( -2.250 0.170 0.450) 2.301 29.609 ( -1.124 0.266 1.323) 1.756 31.014 ( -0.409 2.494 2.729) 3.720 31.095 ( -1.730 1.297 -2.851) 3.578 31.225 ( 6.618 -2.523 3.509) 7.904 31.321 ( 4.448 -1.071 -2.391) 5.163 31.672 ( -1.249 0.945 2.780) 3.191 31.762 ( -1.475 -4.559 4.171) 6.353 32.006 ( -2.133 2.751 1.528) 3.801 32.147 ( -1.218 -0.023 -2.988) 3.227 32.225 ( 1.044 3.684 6.534) 7.573 32.395 ( 1.033 -0.424 9.859) 9.922 32.475 ( -0.494 9.074 0.023) 9.087 32.638 ( -1.689 2.977 -3.736) 5.067 32.833 ( 1.850 1.838 -0.552) 2.666 32.905 ( 3.385 -3.323 0.002) 4.744 33.170 ( 3.238 -0.558 0.485) 3.322 33.219 ( 2.477 4.338 -4.331) 6.611 33.402 ( -7.752 -2.845 1.494) 8.392 33.572 ( -15.725 -3.966 -10.305) 19.214 34.323 ( 10.923 -3.627 0.799) 11.537 34.415 ( 11.324 -1.909 1.233) 11.550 34.832 ( -0.379 4.754 8.874) 10.074 35.148 ( -10.357 -3.828 4.809) 12.044 35.271 ( 6.457 4.826 -14.794) 16.848 35.647 ( 2.757 -5.355 -9.609) 11.340 106.320 ( -0.901 0.828 -0.318) 1.264 106.351 ( 0.143 0.543 -0.451) 0.721 106.370 ( -0.795 -0.315 0.259) 0.894 106.399 ( -0.062 -0.452 0.155) 0.482 108.399 ( 0.564 0.696 0.288) 0.941 108.434 ( 0.601 -0.160 -0.509) 0.803 108.462 ( -0.187 -0.144 -0.835) 0.868 108.464 ( 0.616 -0.113 -0.027) 0.627 ======================= Grid point 57 (28/84) ======================= q-point: ( 0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 10.814 0.158 13.515) 17.309 2.122 ( 13.128 8.748 -8.858) 18.093 2.174 ( 15.812 3.668 2.314) 16.396 2.246 ( 8.427 -4.647 -2.072) 9.844 2.386 ( 9.543 8.319 3.619) 13.166 2.575 ( -0.661 -0.868 -6.019) 6.117 2.654 ( -1.823 4.512 -1.789) 5.185 2.739 ( -4.509 8.633 -4.346) 10.665 2.778 ( -1.380 -2.296 1.327) 2.990 2.919 ( -0.750 -4.703 0.438) 4.782 3.045 ( -4.621 -1.651 -4.901) 6.935 3.246 ( -5.085 -4.739 -3.418) 7.746 3.271 ( 0.194 -12.164 8.243) 14.695 3.362 ( -4.336 4.738 -3.844) 7.485 3.363 ( -4.977 -11.641 3.127) 13.040 3.477 ( -1.271 3.503 2.612) 4.551 3.558 ( -8.226 2.402 6.978) 11.052 3.637 ( -3.104 2.086 7.966) 8.800 3.699 ( -3.943 3.242 -5.235) 7.312 3.829 ( -2.141 -4.596 -2.471) 5.640 3.836 ( 0.518 1.226 3.687) 3.920 3.985 ( -4.690 -4.354 -5.183) 8.235 4.019 ( 5.132 4.054 7.479) 9.935 4.062 ( 3.588 -3.266 -4.869) 6.874 4.113 ( 0.907 0.253 -0.201) 0.963 4.256 ( 8.214 1.675 -14.300) 16.576 4.309 ( 5.882 7.473 -0.023) 9.510 4.481 ( 3.596 -1.380 -1.612) 4.176 4.529 ( -9.287 0.661 0.765) 9.342 4.663 ( 4.773 4.099 5.035) 8.058 4.728 ( 0.052 4.607 3.144) 5.577 4.783 ( -3.260 -4.192 -0.868) 5.381 4.844 ( -2.135 -0.055 -0.641) 2.230 4.901 ( 2.581 0.523 -1.877) 3.233 4.957 ( 2.819 -2.302 -7.743) 8.555 5.030 ( 1.295 -2.242 5.245) 5.849 5.109 ( 3.755 0.506 -1.150) 3.960 5.156 ( 5.202 -2.742 1.965) 6.200 5.188 ( -4.071 -4.765 5.371) 8.254 5.203 ( 3.592 -3.395 1.605) 5.197 5.382 ( 2.320 1.095 5.898) 6.432 5.463 ( 0.747 -3.157 -5.762) 6.612 5.479 ( -5.019 0.104 7.004) 8.617 5.562 ( -0.616 0.457 -0.494) 0.912 5.616 ( -4.321 0.849 2.123) 4.889 5.724 ( -2.294 -1.517 1.128) 2.973 5.737 ( -4.659 4.391 -2.607) 6.912 5.884 ( 1.732 6.134 -4.984) 8.091 5.943 ( -2.426 0.664 -1.300) 2.831 6.031 ( 2.740 6.061 1.445) 6.807 6.131 ( -3.495 6.350 2.492) 7.665 6.174 ( -4.354 -4.107 -1.873) 6.272 6.254 ( -7.749 -2.524 -2.207) 8.443 6.283 ( -6.378 -0.265 -1.534) 6.565 6.395 ( -2.748 -3.217 -2.184) 4.761 6.487 ( 0.851 0.876 0.229) 1.243 6.566 ( 4.809 -3.046 -1.071) 5.792 6.666 ( 2.397 -4.768 1.121) 5.453 6.731 ( 0.644 -0.757 3.709) 3.840 6.813 ( 0.274 1.271 -1.131) 1.723 6.950 ( 6.232 2.524 1.516) 6.893 7.027 ( 3.550 4.270 -4.063) 6.880 7.116 ( 4.082 -0.113 0.300) 4.094 7.233 ( 3.429 0.477 -8.924) 9.573 7.421 ( -3.732 -2.866 0.689) 4.755 7.433 ( -1.905 -2.759 4.111) 5.305 7.515 ( -2.716 1.622 2.503) 4.034 7.543 ( -6.715 1.154 0.524) 6.833 7.927 ( -1.003 2.769 1.644) 3.373 8.082 ( -0.260 0.487 0.258) 0.610 8.118 ( 1.087 -1.517 -0.931) 2.086 8.192 ( 0.029 -1.685 2.350) 2.891 9.231 ( 0.385 1.755 0.828) 1.978 9.358 ( 1.939 -1.450 -0.487) 2.470 9.529 ( 0.443 1.838 0.639) 1.996 9.637 ( 1.482 -0.773 -1.061) 1.979 9.890 ( 1.362 -0.019 -0.282) 1.391 9.936 ( 2.690 -1.027 3.642) 4.643 10.053 ( 0.059 0.004 -1.272) 1.273 10.076 ( -1.298 0.022 -6.497) 6.625 10.211 ( -1.230 3.223 -0.918) 3.570 10.264 ( 0.705 0.330 -3.962) 4.038 10.294 ( -0.392 0.948 2.829) 3.009 10.588 ( -3.542 -4.550 5.419) 7.913 10.751 ( 0.264 0.163 -1.556) 1.587 10.769 ( -0.099 -0.184 -0.085) 0.226 10.813 ( -0.140 2.937 0.177) 2.946 11.160 ( -1.319 -6.053 -3.861) 7.300 11.570 ( -1.249 -0.397 2.764) 3.059 11.601 ( -1.730 -1.292 1.697) 2.747 12.283 ( 2.397 0.373 2.054) 3.179 12.308 ( 0.303 0.624 0.192) 0.720 12.342 ( 0.359 -0.335 -2.155) 2.211 12.398 ( 1.585 -3.397 3.136) 4.887 12.525 ( -2.223 1.072 1.408) 2.841 12.550 ( 0.422 3.130 0.690) 3.233 12.667 ( 1.972 0.629 -2.333) 3.119 12.786 ( 1.492 0.104 -2.752) 3.132 12.894 ( 0.565 -1.935 -0.548) 2.089 12.903 ( 0.992 -1.087 -0.202) 1.485 13.050 ( 0.591 0.416 0.208) 0.752 13.078 ( -0.121 -1.576 0.496) 1.657 13.134 ( 0.337 0.803 0.340) 0.934 13.193 ( 0.817 -1.695 1.004) 2.133 13.369 ( -2.609 1.888 -1.013) 3.376 13.411 ( -2.955 0.650 0.710) 3.108 13.442 ( -2.495 -0.587 1.271) 2.861 13.565 ( -2.101 -3.017 -0.290) 3.688 13.785 ( 1.794 3.688 -0.283) 4.111 13.827 ( 1.346 0.917 -0.304) 1.657 13.892 ( 2.123 -0.690 -0.486) 2.285 13.997 ( 2.571 -2.236 -0.719) 3.482 17.051 ( -0.361 -1.119 0.035) 1.176 17.102 ( 0.359 -1.128 0.746) 1.399 17.143 ( 0.821 1.901 0.189) 2.080 17.203 ( -0.196 -0.082 -0.216) 0.303 17.279 ( 0.525 1.391 0.296) 1.516 17.319 ( -0.409 0.741 0.185) 0.866 17.368 ( 0.104 -0.733 1.075) 1.306 17.452 ( -2.115 0.439 -3.505) 4.117 17.464 ( -0.163 -1.138 -2.759) 2.988 17.492 ( 0.394 -0.086 -0.840) 0.932 17.676 ( 1.732 1.258 -0.155) 2.146 17.769 ( 1.134 -0.823 -0.436) 1.467 17.821 ( 0.390 0.383 -0.217) 0.588 17.847 ( -0.008 -0.310 0.016) 0.311 17.942 ( 3.116 -0.165 0.007) 3.120 17.965 ( 2.084 -0.693 0.456) 2.243 18.321 ( 0.238 0.707 0.010) 0.746 18.356 ( -0.306 0.118 0.886) 0.945 18.459 ( 0.141 0.031 0.314) 0.346 18.469 ( -0.464 0.323 0.162) 0.589 18.540 ( -0.096 1.095 0.864) 1.398 18.559 ( -4.720 -0.275 5.135) 6.980 18.885 ( 2.142 0.806 -1.813) 2.920 18.907 ( 0.654 0.126 -1.490) 1.632 20.177 ( -0.391 1.717 -0.485) 1.827 20.318 ( -4.688 -1.279 -1.606) 5.118 20.763 ( 2.900 0.452 -0.037) 2.935 20.842 ( 3.496 -2.256 -2.331) 4.769 21.597 ( -0.132 2.287 1.405) 2.688 21.818 ( 0.188 -3.723 0.521) 3.764 21.966 ( 4.699 3.141 2.246) 6.082 22.122 ( -1.948 1.763 -4.311) 5.049 22.176 ( 1.016 -3.216 2.174) 4.013 22.239 ( 0.878 -0.550 1.089) 1.503 22.385 ( -6.173 0.888 -7.788) 9.977 22.531 ( -2.514 -2.713 5.770) 6.853 25.245 ( -0.613 1.096 3.398) 3.623 25.382 ( -3.353 -3.141 2.067) 5.038 25.482 ( -0.476 2.090 -1.789) 2.791 25.630 ( -3.693 -2.333 -2.112) 4.852 29.144 ( 1.969 0.332 -0.334) 2.024 29.182 ( 1.664 0.485 0.136) 1.738 29.245 ( 2.607 -0.324 -0.280) 2.642 29.281 ( 1.763 0.442 -0.256) 1.835 29.485 ( -2.317 0.588 0.124) 2.394 29.525 ( -1.306 -0.458 -0.293) 1.415 29.572 ( -1.967 1.101 0.079) 2.256 29.615 ( -1.017 -0.162 1.362) 1.707 31.038 ( -0.477 2.572 1.430) 2.981 31.048 ( -0.210 1.850 -2.080) 2.792 31.284 ( 5.503 -1.918 -5.477) 7.997 31.455 ( 7.012 -5.115 6.072) 10.592 31.689 ( -1.574 2.029 3.694) 4.499 31.792 ( -1.870 -2.954 3.632) 5.041 31.954 ( -5.339 2.211 -0.098) 5.779 32.063 ( -2.164 -1.736 -4.042) 4.902 32.312 ( 0.320 8.176 2.150) 8.460 32.377 ( -2.604 5.204 -2.173) 6.212 32.513 ( -0.801 -1.585 0.569) 1.865 32.646 ( 2.077 1.058 2.442) 3.376 32.869 ( 2.813 0.797 1.049) 3.106 32.961 ( 3.411 -3.569 0.217) 4.942 33.139 ( -4.955 -1.185 -3.197) 6.015 33.204 ( 0.966 0.149 0.840) 1.289 33.344 ( -1.588 3.026 -0.752) 3.499 33.383 ( -2.753 1.663 -0.245) 3.225 34.439 ( 6.252 -6.330 -0.455) 8.908 34.534 ( 3.869 -4.487 -2.210) 6.324 34.933 ( -0.676 1.085 1.974) 2.352 35.133 ( 2.171 9.863 -1.034) 10.152 35.187 ( 0.643 -4.909 2.476) 5.536 35.557 ( -0.850 -3.233 -3.204) 4.630 106.307 ( -0.652 0.682 0.020) 0.944 106.348 ( 0.039 0.307 -0.297) 0.429 106.363 ( -0.695 -0.206 0.292) 0.781 106.400 ( -0.156 -0.479 0.149) 0.526 108.412 ( 0.721 0.271 0.320) 0.834 108.432 ( 0.338 -0.267 -0.845) 0.949 108.450 ( -0.019 0.476 -0.521) 0.706 108.477 ( 0.381 -0.259 0.593) 0.751 ======================= Grid point 58 (29/84) ======================= q-point: ( 0.44 0.20 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 2.608 -5.006 -7.345) 9.264 2.212 ( -2.001 -4.879 -6.236) 8.167 2.275 ( -0.222 9.192 1.015) 9.250 2.295 ( 14.210 7.156 -3.008) 16.192 2.557 ( 3.868 6.633 -9.140) 11.937 2.572 ( 3.406 -0.093 1.027) 3.559 2.603 ( 7.261 2.234 -3.273) 8.271 2.671 ( 1.703 3.314 -1.500) 4.017 2.797 ( 2.940 1.913 -1.195) 3.706 2.851 ( -4.008 0.107 0.421) 4.032 2.901 ( -7.305 -0.882 1.844) 7.586 3.122 ( -12.674 7.986 -0.231) 14.982 3.152 ( -1.743 -5.429 -2.598) 6.265 3.317 ( -4.113 -5.351 -6.314) 9.242 3.388 ( -1.893 -2.899 -8.085) 8.795 3.455 ( 0.191 -4.835 1.111) 4.965 3.511 ( 0.662 -3.411 -3.046) 4.621 3.558 ( -7.609 3.734 -3.457) 9.153 3.649 ( -0.654 4.578 -1.588) 4.889 3.779 ( 5.840 -4.937 -3.361) 8.353 3.854 ( -0.310 -5.526 -8.481) 10.127 3.884 ( -0.528 -0.477 2.659) 2.753 4.023 ( -3.565 2.440 -2.159) 4.829 4.124 ( 3.474 4.528 2.887) 6.396 4.171 ( 4.232 -4.371 4.267) 7.431 4.287 ( 6.445 1.233 -5.470) 8.543 4.307 ( -0.308 4.949 -7.605) 9.079 4.391 ( -3.011 4.117 -4.183) 6.596 4.522 ( 1.946 -8.736 0.414) 8.960 4.645 ( -4.144 -2.361 -1.037) 4.881 4.774 ( -1.000 0.869 -3.544) 3.783 4.802 ( -0.809 0.634 0.619) 1.200 4.828 ( 7.041 4.380 2.806) 8.754 4.892 ( 3.133 5.619 1.752) 6.667 5.030 ( 2.849 -5.765 6.714) 9.297 5.136 ( -0.925 -4.474 3.819) 5.955 5.152 ( -5.874 -0.400 9.588) 11.251 5.178 ( 1.787 -1.866 -0.780) 2.699 5.250 ( 0.140 -2.263 5.529) 5.976 5.343 ( 4.159 -3.810 -1.610) 5.866 5.399 ( 0.659 -2.529 0.893) 2.762 5.434 ( -1.862 -0.448 0.726) 2.048 5.482 ( -5.749 0.707 2.377) 6.261 5.504 ( -2.911 0.344 1.016) 3.102 5.589 ( 0.705 0.778 5.595) 5.693 5.725 ( 0.551 1.700 3.601) 4.020 5.768 ( -3.749 0.459 -2.042) 4.294 5.824 ( -1.077 -0.688 3.515) 3.740 5.949 ( 2.976 5.210 0.649) 6.035 6.017 ( -2.237 3.765 -0.080) 4.380 6.086 ( -0.646 1.317 -1.251) 1.928 6.145 ( -3.665 7.137 3.520) 8.761 6.183 ( 2.052 2.008 5.806) 6.477 6.277 ( -2.381 -4.832 3.441) 6.392 6.384 ( 2.450 -4.064 0.927) 4.835 6.511 ( 0.999 3.371 1.820) 3.959 6.611 ( 3.673 1.676 -0.652) 4.090 6.695 ( -0.131 -5.966 -1.653) 6.192 6.759 ( -2.211 -2.710 0.494) 3.532 6.802 ( 0.154 1.886 0.493) 1.956 6.959 ( -0.104 0.562 -6.012) 6.039 7.064 ( 4.107 4.811 -1.180) 6.435 7.149 ( 2.854 -0.769 -8.198) 8.715 7.167 ( 2.042 -1.148 -2.725) 3.594 7.388 ( -0.404 -1.146 2.825) 3.075 7.475 ( 2.150 -1.286 3.545) 4.341 7.514 ( -4.127 2.017 5.265) 6.987 7.560 ( -3.938 -0.080 10.209) 10.943 7.920 ( -1.632 2.332 0.441) 2.880 8.076 ( -0.273 0.707 -0.208) 0.786 8.158 ( 1.467 -2.880 4.100) 5.221 8.225 ( -1.272 -2.494 4.095) 4.961 9.242 ( -0.306 1.832 0.615) 1.956 9.373 ( 0.956 -1.590 -0.483) 1.918 9.538 ( -0.169 1.930 0.436) 1.986 9.654 ( 1.185 -0.875 0.613) 1.595 9.863 ( 0.467 0.058 -6.738) 6.754 9.944 ( 0.279 -2.369 -6.077) 6.528 9.991 ( 0.405 0.700 -4.747) 4.815 10.016 ( 1.367 0.316 -2.312) 2.705 10.194 ( 0.464 3.434 -1.181) 3.661 10.281 ( 2.826 0.406 0.622) 2.922 10.376 ( -0.632 0.372 9.003) 9.033 10.558 ( -4.993 -2.109 -0.075) 5.421 10.766 ( 1.658 0.511 1.893) 2.568 10.776 ( 0.634 -0.161 3.016) 3.087 10.861 ( -1.182 0.949 5.617) 5.818 11.106 ( 1.186 -4.817 -3.914) 6.319 11.571 ( -2.292 -0.783 1.165) 2.688 11.599 ( -1.249 -1.594 1.635) 2.602 12.287 ( 0.308 0.001 -3.176) 3.191 12.290 ( 0.341 0.027 -4.903) 4.915 12.318 ( -1.168 0.935 -0.572) 1.602 12.441 ( -0.228 -2.737 1.316) 3.045 12.476 ( -1.939 0.649 -3.089) 3.705 12.559 ( -0.081 1.257 -0.555) 1.377 12.669 ( 1.527 1.087 -1.286) 2.273 12.773 ( 3.539 0.510 -4.050) 5.403 12.845 ( -1.683 -0.765 -2.551) 3.150 12.936 ( 0.883 -1.021 0.479) 1.432 13.058 ( 0.695 -0.722 0.544) 1.140 13.106 ( -0.482 -1.735 2.612) 3.173 13.142 ( 0.112 1.130 0.657) 1.312 13.208 ( -0.484 -1.280 -0.058) 1.370 13.338 ( -0.300 2.078 -0.129) 2.104 13.390 ( -1.534 0.806 0.891) 1.949 13.427 ( -1.635 -0.559 1.055) 2.025 13.540 ( -0.600 -2.817 -0.281) 2.894 13.814 ( 1.017 3.267 1.671) 3.808 13.850 ( 0.711 0.836 1.518) 1.873 13.922 ( 1.182 -0.786 1.456) 2.034 14.026 ( 1.494 -2.308 0.632) 2.821 17.046 ( 0.103 -0.913 -0.154) 0.931 17.107 ( -0.482 -0.937 -0.053) 1.055 17.163 ( 0.741 2.538 0.646) 2.722 17.200 ( -0.315 0.779 0.673) 1.077 17.290 ( -0.030 1.337 0.108) 1.342 17.313 ( 0.237 0.790 0.731) 1.102 17.366 ( -0.827 -0.643 -2.045) 2.298 17.437 ( 1.472 0.551 1.134) 1.938 17.469 ( 1.627 -1.861 2.369) 3.424 17.500 ( 1.267 -0.421 1.487) 1.999 17.695 ( 0.789 0.993 0.364) 1.319 17.778 ( 0.723 -0.882 -0.298) 1.178 17.822 ( 0.389 0.513 -0.593) 0.875 17.842 ( -0.172 -0.194 -0.538) 0.597 17.958 ( 1.349 0.059 -1.465) 1.993 17.992 ( 0.407 -0.837 0.058) 0.932 18.313 ( -0.706 0.516 -0.478) 0.997 18.360 ( -0.400 -0.392 0.588) 0.812 18.460 ( -1.560 -0.091 1.975) 2.519 18.482 ( 0.816 1.016 0.730) 1.493 18.550 ( -0.428 1.083 1.150) 1.637 18.561 ( -4.162 -0.221 4.954) 6.474 18.882 ( 1.545 0.831 -2.828) 3.328 18.898 ( 1.189 0.320 -1.619) 2.034 20.181 ( 0.668 0.960 -0.341) 1.218 20.261 ( -0.763 -0.739 0.107) 1.068 20.744 ( 0.707 0.669 -6.475) 6.548 20.843 ( 1.901 -1.955 -3.483) 4.423 21.600 ( -0.986 2.285 0.210) 2.498 21.815 ( -0.173 -3.227 -0.676) 3.302 22.013 ( -3.306 1.334 -5.358) 6.435 22.060 ( 5.224 0.385 -3.935) 6.551 22.152 ( -1.115 -0.312 -1.000) 1.529 22.231 ( -0.359 0.825 -0.134) 0.910 22.391 ( 3.187 -0.686 8.254) 8.875 22.558 ( -4.192 -3.701 5.825) 8.075 25.263 ( -1.952 0.771 1.908) 2.837 25.348 ( -4.248 -1.514 0.935) 4.605 25.474 ( 2.761 0.858 -2.105) 3.577 25.564 ( -0.727 -1.594 -2.454) 3.016 29.167 ( 1.281 1.076 0.081) 1.675 29.196 ( 0.208 1.077 0.040) 1.098 29.277 ( 1.803 -0.692 -0.076) 1.933 29.296 ( 0.941 -0.604 -0.202) 1.136 29.457 ( -1.572 0.655 0.050) 1.704 29.505 ( -0.518 -0.839 -0.266) 1.022 29.552 ( -0.788 1.511 -0.331) 1.736 29.612 ( -1.282 -0.359 0.664) 1.487 31.030 ( 0.285 1.973 -1.158) 2.305 31.037 ( -0.138 2.343 -0.553) 2.411 31.284 ( 5.386 -1.431 -6.019) 8.203 31.497 ( -3.038 -7.117 -6.052) 9.824 31.705 ( -2.678 1.977 2.518) 4.174 31.840 ( -2.712 -2.475 6.871) 7.790 31.934 ( -0.732 3.144 6.990) 7.699 32.032 ( 2.116 -1.654 0.672) 2.769 32.278 ( -0.390 9.806 -3.460) 10.406 32.318 ( -1.273 1.897 -6.048) 6.466 32.492 ( -0.125 -1.033 -1.306) 1.670 32.664 ( -1.808 -1.438 -1.160) 2.585 32.923 ( 0.790 -0.687 1.173) 1.572 33.002 ( 1.698 -5.272 2.839) 6.224 33.070 ( -1.108 1.346 -0.930) 1.976 33.235 ( -0.317 1.982 3.165) 3.747 33.320 ( 0.767 3.459 -1.263) 3.761 33.399 ( 0.047 3.642 3.132) 4.804 34.492 ( 1.250 -8.260 -3.687) 9.131 34.535 ( 6.180 -4.154 -0.435) 7.459 34.826 ( -3.766 4.155 -10.071) 11.527 35.001 ( -4.021 1.570 -12.197) 12.939 35.435 ( 2.974 -0.210 19.863) 20.086 35.626 ( 3.131 -1.897 11.125) 11.712 106.303 ( -0.243 0.616 0.345) 0.746 106.345 ( 0.171 0.030 -0.258) 0.311 106.360 ( -0.401 0.030 0.436) 0.593 106.398 ( -0.204 -0.455 0.020) 0.499 108.420 ( -0.101 0.111 -0.273) 0.312 108.429 ( 0.693 -0.215 -0.269) 0.774 108.449 ( 0.388 0.695 0.082) 0.800 108.488 ( -0.103 -0.405 0.722) 0.834 ======================= Grid point 59 (30/84) ======================= q-point: (-0.44 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -17.900 3.324 -6.943) 19.485 2.039 ( -9.761 -1.321 -14.877) 17.842 2.197 ( -4.516 3.074 -9.953) 11.354 2.375 ( 6.042 3.972 -8.493) 11.154 2.434 ( 4.353 2.194 -2.563) 5.507 2.570 ( -0.860 -1.874 -6.308) 6.636 2.700 ( 3.926 -0.265 -2.250) 4.533 2.719 ( 8.990 5.829 -1.695) 10.847 2.787 ( -0.285 -2.703 -1.246) 2.990 2.838 ( -8.777 -2.358 0.956) 9.138 2.907 ( 2.521 1.029 4.414) 5.187 3.048 ( 7.121 -0.152 -3.988) 8.163 3.082 ( -2.742 -0.636 -8.291) 8.756 3.133 ( -7.061 2.549 -6.167) 9.715 3.265 ( -0.460 -5.424 -0.394) 5.458 3.373 ( 0.510 5.359 -6.768) 8.648 3.445 ( -11.249 9.363 -10.283) 17.887 3.479 ( 0.831 5.076 -0.220) 5.148 3.581 ( 3.121 -0.154 -3.070) 4.381 3.750 ( -0.990 2.811 -1.268) 3.238 3.855 ( -2.591 -4.411 0.974) 5.207 3.920 ( 2.712 -8.532 2.214) 9.222 4.040 ( 6.368 -2.052 1.134) 6.786 4.139 ( -4.590 -6.410 -2.935) 8.412 4.179 ( -0.084 -3.576 -2.663) 4.459 4.248 ( 1.167 4.805 -6.060) 7.821 4.285 ( 7.495 3.550 -1.083) 8.364 4.397 ( 3.703 1.498 -1.261) 4.189 4.518 ( 0.991 -11.941 -4.861) 12.931 4.610 ( -3.809 -2.877 3.080) 5.681 4.707 ( -1.990 3.335 -1.297) 4.094 4.829 ( -0.216 0.275 -2.151) 2.179 4.873 ( 2.991 1.325 -3.505) 4.794 4.956 ( 0.717 6.139 2.183) 6.555 5.031 ( -10.325 -1.949 0.401) 10.515 5.124 ( -4.387 0.178 6.876) 8.158 5.163 ( 2.164 -9.406 -0.384) 9.659 5.215 ( 1.466 -5.624 0.030) 5.812 5.314 ( -5.320 2.453 5.422) 7.983 5.349 ( 0.771 1.633 7.241) 7.462 5.406 ( -2.966 0.804 3.831) 4.911 5.429 ( -0.932 -1.809 3.108) 3.715 5.525 ( 5.321 -1.277 -0.066) 5.472 5.569 ( 1.251 2.940 7.913) 8.533 5.671 ( -2.944 -0.493 -0.541) 3.034 5.735 ( 4.140 3.265 6.413) 8.302 5.793 ( 0.472 3.312 5.650) 6.566 5.870 ( 4.688 2.261 -0.021) 5.204 5.964 ( 1.277 2.114 -0.099) 2.472 6.057 ( 0.827 6.557 4.885) 8.218 6.082 ( -0.699 2.219 2.127) 3.152 6.230 ( 5.085 1.796 4.795) 7.216 6.291 ( -1.465 -3.181 3.211) 4.751 6.369 ( 6.710 -4.114 8.769) 11.783 6.445 ( 2.497 -0.257 3.627) 4.410 6.543 ( 0.782 0.891 -0.194) 1.202 6.582 ( -5.301 -4.010 -2.979) 7.284 6.641 ( -1.989 -3.915 -2.645) 5.126 6.727 ( -1.552 -0.811 1.523) 2.321 6.825 ( 1.085 -0.050 -0.288) 1.124 6.887 ( 0.281 2.975 -2.359) 3.807 7.005 ( -1.595 2.607 -7.032) 7.668 7.127 ( -1.286 -0.698 -2.203) 2.644 7.142 ( 5.736 1.152 -4.116) 7.153 7.500 ( 2.788 0.242 5.352) 6.040 7.540 ( 1.526 1.074 4.115) 4.519 7.573 ( 2.488 -0.617 5.761) 6.306 7.636 ( -4.983 -1.067 10.698) 11.850 7.903 ( -0.409 2.576 -0.440) 2.645 8.072 ( -0.010 0.639 -0.362) 0.734 8.238 ( -1.442 -4.017 6.005) 7.368 8.271 ( -1.856 -2.560 8.152) 8.744 9.241 ( -1.019 1.753 1.029) 2.274 9.369 ( -0.338 -1.485 -0.745) 1.696 9.530 ( -1.292 1.863 -0.357) 2.296 9.669 ( 0.256 -2.086 -1.060) 2.354 9.775 ( 0.428 0.485 -5.832) 5.868 9.845 ( -3.183 -0.786 -4.109) 5.257 9.960 ( -0.563 0.914 -7.246) 7.325 9.990 ( 5.486 0.201 -4.965) 7.402 10.181 ( 0.644 3.176 -2.436) 4.054 10.324 ( 2.906 -0.698 -1.078) 3.177 10.462 ( -1.021 -0.240 5.198) 5.303 10.493 ( -1.405 -0.152 -1.188) 1.847 10.835 ( 0.209 -1.432 4.541) 4.766 10.846 ( -0.913 -1.243 7.492) 7.649 10.925 ( 0.932 2.635 6.490) 7.066 11.110 ( 5.388 -2.819 -1.798) 6.341 11.545 ( -3.177 -0.476 0.955) 3.351 11.619 ( -0.340 -2.333 3.790) 4.464 12.201 ( -2.398 -0.143 -5.333) 5.849 12.237 ( 0.205 -0.579 -5.221) 5.257 12.281 ( -1.089 0.911 -2.692) 3.043 12.405 ( 0.070 1.540 -5.069) 5.298 12.421 ( -3.245 -3.115 -0.547) 4.531 12.523 ( -0.738 0.593 -3.776) 3.893 12.671 ( 0.965 0.825 -1.265) 1.792 12.766 ( 1.293 -1.205 -3.491) 3.913 12.837 ( 3.733 2.359 0.143) 4.418 12.926 ( -2.117 0.859 -0.250) 2.298 13.073 ( -1.133 -0.870 1.288) 1.923 13.124 ( -0.075 -1.743 0.993) 2.008 13.136 ( -1.407 0.441 -1.244) 1.930 13.182 ( -0.172 -2.034 -1.170) 2.353 13.362 ( 2.265 1.784 1.398) 3.204 13.397 ( 0.479 0.341 1.190) 1.327 13.431 ( -0.112 0.157 1.909) 1.918 13.546 ( 1.651 -2.468 0.005) 2.969 13.850 ( -0.293 2.792 2.683) 3.884 13.878 ( -0.285 0.735 1.953) 2.106 13.958 ( -0.291 -0.897 2.838) 2.991 14.049 ( -0.196 -2.160 1.191) 2.474 17.050 ( 0.031 -0.107 0.109) 0.156 17.090 ( -0.739 0.354 -0.726) 1.095 17.171 ( -1.173 1.607 1.567) 2.533 17.217 ( 0.694 0.374 1.119) 1.368 17.290 ( -0.478 -0.623 -0.004) 0.785 17.310 ( -0.209 -0.676 -0.539) 0.889 17.359 ( 1.153 1.342 1.069) 2.067 17.464 ( -0.840 -0.150 -1.303) 1.558 17.533 ( 4.470 0.457 5.388) 7.015 17.594 ( 2.585 -1.029 5.134) 5.839 17.708 ( -0.049 0.974 0.951) 1.363 17.782 ( 0.024 -0.701 0.042) 0.703 17.814 ( -0.119 0.037 -0.950) 0.958 17.829 ( -0.180 -0.565 -1.140) 1.285 17.944 ( -0.118 0.782 -2.799) 2.909 17.973 ( -0.940 -0.315 -1.589) 1.873 18.297 ( -1.601 0.542 0.919) 1.924 18.361 ( -1.028 -0.837 1.106) 1.726 18.466 ( -1.552 0.128 2.180) 2.679 18.502 ( -0.027 1.328 1.266) 1.835 18.557 ( -0.303 1.320 0.973) 1.668 18.569 ( -3.706 -0.401 4.775) 6.058 18.858 ( 1.395 1.031 -3.704) 4.090 18.899 ( 1.800 -0.030 -1.639) 2.434 20.174 ( -0.190 1.651 -0.144) 1.668 20.311 ( 3.878 -1.477 2.806) 5.010 20.632 ( -1.022 1.037 -9.844) 9.951 20.803 ( 1.345 -3.363 -6.306) 7.272 21.577 ( -1.795 1.941 -0.706) 2.736 21.791 ( -1.127 -4.252 -2.106) 4.877 21.909 ( -1.680 2.002 -4.185) 4.934 21.987 ( 0.814 -0.426 -7.774) 7.828 22.214 ( 0.050 1.326 2.520) 2.848 22.248 ( 2.791 2.324 2.528) 4.425 22.565 ( -2.303 -4.168 6.510) 8.066 22.576 ( 3.823 -3.259 7.957) 9.410 25.233 ( -4.537 0.604 0.741) 4.637 25.298 ( -2.566 -1.108 -0.953) 2.953 25.487 ( 2.168 0.748 -1.499) 2.739 25.565 ( 5.071 -1.205 -2.273) 5.686 29.178 ( -0.411 0.965 0.545) 1.182 29.192 ( -0.606 1.195 -0.167) 1.350 29.283 ( -0.847 -0.451 0.131) 0.968 29.301 ( -0.285 -1.000 -0.003) 1.039 29.450 ( 0.794 0.854 -0.139) 1.175 29.505 ( 0.968 -0.249 -0.600) 1.166 29.547 ( 0.634 0.963 0.086) 1.156 29.597 ( -1.251 -0.118 -0.090) 1.259 30.996 ( -1.833 2.317 -1.504) 3.315 31.054 ( 3.114 1.438 -0.604) 3.482 31.286 ( 5.168 -2.237 -4.973) 7.513 31.319 ( -6.443 -3.367 -7.657) 10.559 31.717 ( -0.988 0.933 3.326) 3.593 31.842 ( -6.286 -3.453 5.574) 9.083 31.990 ( -2.552 2.517 3.539) 5.037 32.113 ( 0.961 3.612 -2.719) 4.622 32.202 ( -0.466 1.046 -1.262) 1.704 32.261 ( 1.990 3.747 -3.907) 5.768 32.463 ( -1.177 -1.159 -3.293) 3.684 32.585 ( -0.673 3.086 -4.240) 5.287 32.918 ( -2.891 -1.011 1.968) 3.641 33.030 ( -2.177 -1.934 1.440) 3.249 33.157 ( 9.621 -6.459 4.036) 12.271 33.254 ( -2.474 -1.855 0.995) 3.248 33.349 ( 1.703 6.396 3.572) 7.521 33.435 ( 0.734 4.414 2.666) 5.208 34.448 ( 1.560 -2.986 -4.394) 5.537 34.623 ( -4.778 3.474 -2.793) 6.534 34.655 ( 2.156 -4.629 -9.564) 10.842 34.777 ( 0.736 0.503 -8.257) 8.305 35.686 ( -2.989 0.709 17.840) 18.103 35.861 ( 3.899 -3.640 15.494) 16.387 106.309 ( 0.224 0.617 0.549) 0.856 106.346 ( 0.451 -0.015 -0.277) 0.529 106.364 ( -0.038 0.065 0.681) 0.685 106.395 ( -0.106 -0.372 -0.152) 0.416 108.411 ( -0.490 0.506 -0.312) 0.771 108.431 ( 0.394 0.164 -0.582) 0.722 108.465 ( 0.664 -0.001 0.990) 1.192 108.492 ( -0.494 -0.531 0.616) 0.951 ======================= Grid point 60 (31/84) ======================= q-point: (-0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -23.716 8.947 -3.214) 25.550 1.584 ( -18.049 8.262 -21.123) 28.986 2.007 ( -7.212 -1.238 -6.511) 9.795 2.265 ( -3.922 -6.391 -7.801) 10.820 2.411 ( -16.415 -0.716 -3.623) 16.825 2.481 ( -3.445 -1.696 -4.006) 5.550 2.604 ( 3.233 6.837 -8.355) 11.270 2.690 ( 3.527 -2.141 -5.891) 7.193 2.766 ( -2.244 -5.345 -2.724) 6.405 2.885 ( 4.270 7.103 -1.909) 8.505 2.934 ( 6.315 -1.178 -6.330) 9.018 2.971 ( 0.381 0.474 -2.298) 2.377 3.026 ( -4.890 3.374 -2.538) 6.461 3.084 ( 0.600 5.621 1.471) 5.841 3.188 ( -2.406 5.235 -6.330) 8.560 3.260 ( 5.363 -5.627 0.691) 7.804 3.370 ( 3.830 7.960 -2.766) 9.256 3.591 ( 11.588 -1.748 1.966) 11.883 3.626 ( -1.969 2.795 4.179) 5.400 3.739 ( 1.218 8.175 3.524) 8.985 3.872 ( 5.305 -6.620 -2.199) 8.764 3.915 ( -3.187 -3.195 -0.637) 4.557 3.994 ( -8.943 -10.768 -5.253) 14.951 4.111 ( -4.288 -9.467 -4.236) 11.223 4.124 ( 1.823 -1.261 -1.665) 2.772 4.201 ( 3.184 2.670 -1.623) 4.461 4.345 ( -2.628 -5.273 -4.251) 7.265 4.424 ( -2.205 -2.424 -0.200) 3.283 4.444 ( 7.688 -0.899 1.457) 7.876 4.624 ( -0.708 0.296 -1.843) 1.996 4.650 ( -4.255 5.787 -3.282) 7.897 4.740 ( 0.381 2.093 -4.560) 5.032 4.894 ( 0.713 5.158 -0.184) 5.210 4.919 ( -4.027 -1.594 2.884) 5.203 5.007 ( 2.128 2.047 1.941) 3.533 5.111 ( -5.892 -8.749 -2.836) 10.923 5.139 ( -3.492 -1.710 3.270) 5.080 5.279 ( 2.508 -5.811 2.189) 6.697 5.349 ( 1.355 0.759 4.238) 4.513 5.418 ( -3.033 0.437 3.640) 4.758 5.431 ( -3.955 1.934 4.007) 5.953 5.460 ( 2.349 2.134 1.114) 3.364 5.594 ( 1.868 0.535 4.729) 5.113 5.637 ( -0.182 2.336 3.810) 4.473 5.708 ( -1.954 0.715 5.099) 5.508 5.809 ( 2.719 2.823 0.988) 4.042 5.870 ( 6.901 6.057 -2.996) 9.659 5.927 ( 4.571 1.904 0.122) 4.953 6.057 ( 4.367 1.704 5.689) 7.371 6.114 ( -0.824 3.779 3.541) 5.244 6.176 ( 5.268 -1.532 7.205) 9.056 6.257 ( -3.104 0.976 1.053) 3.420 6.374 ( 2.480 -0.698 4.147) 4.882 6.440 ( -2.718 -4.771 -3.600) 6.566 6.488 ( -0.392 -4.228 1.536) 4.516 6.551 ( -0.041 -5.085 1.771) 5.385 6.590 ( 0.059 -3.169 -1.354) 3.446 6.604 ( 7.245 1.788 4.193) 8.560 6.754 ( -0.098 -3.170 3.904) 5.030 6.796 ( -0.579 -4.139 -2.026) 4.645 6.882 ( -1.636 3.372 -5.584) 6.725 6.959 ( 4.434 4.060 1.726) 6.255 7.094 ( -0.625 2.165 -0.345) 2.279 7.178 ( 6.744 3.923 -3.876) 8.712 7.530 ( -1.587 0.905 2.229) 2.882 7.627 ( -2.075 -3.263 3.692) 5.346 7.682 ( -0.238 -0.566 5.797) 5.830 7.717 ( 4.546 -0.288 5.803) 7.377 7.909 ( 1.259 3.333 0.699) 3.631 8.058 ( -0.574 0.640 -1.490) 1.721 8.281 ( -6.360 -2.352 10.887) 12.826 8.362 ( -1.876 -3.312 8.206) 9.046 9.245 ( -1.279 1.635 2.042) 2.912 9.351 ( -0.769 -0.822 -0.544) 1.250 9.488 ( -2.389 1.016 -2.184) 3.392 9.611 ( -0.832 -3.037 -6.407) 7.139 9.741 ( 0.416 0.577 -1.781) 1.918 9.770 ( -2.903 0.955 -1.293) 3.318 9.820 ( -2.619 3.960 -8.481) 9.719 9.991 ( 5.261 -0.795 -8.280) 9.842 10.149 ( -0.141 2.228 -2.538) 3.380 10.321 ( 2.241 -2.455 -4.545) 5.631 10.488 ( -0.572 0.460 1.163) 1.375 10.512 ( 3.652 -0.263 1.467) 3.944 10.865 ( -2.433 -2.010 3.853) 4.980 10.928 ( -2.425 -1.581 8.622) 9.095 11.044 ( 4.146 4.202 3.645) 6.938 11.227 ( 9.759 -2.038 2.286) 10.228 11.501 ( -4.753 0.990 0.872) 4.933 11.696 ( 0.407 -4.218 8.233) 9.260 12.113 ( -1.568 0.247 -3.264) 3.629 12.165 ( -0.319 -0.170 -5.316) 5.328 12.224 ( -1.002 -0.624 -3.680) 3.864 12.346 ( -3.069 -1.852 -1.464) 3.872 12.355 ( -0.347 1.714 -4.178) 4.529 12.467 ( -0.418 -0.100 -2.994) 3.024 12.662 ( 0.436 0.669 -1.641) 1.825 12.747 ( 1.338 -1.427 -2.141) 2.900 12.885 ( -1.834 1.740 -0.786) 2.647 12.902 ( 2.858 2.455 0.787) 3.849 13.054 ( -2.652 -0.690 0.233) 2.750 13.086 ( -1.551 0.793 -0.734) 1.890 13.130 ( 0.021 -0.408 -0.241) 0.474 13.189 ( 1.603 -2.756 -0.303) 3.203 13.418 ( 2.378 -0.173 0.886) 2.544 13.432 ( 3.205 0.143 1.165) 3.413 13.481 ( 2.721 0.951 2.972) 4.141 13.581 ( 3.041 -1.729 0.180) 3.502 13.865 ( -2.254 2.119 2.189) 3.790 13.887 ( -1.288 0.649 1.140) 1.838 13.979 ( -2.034 -0.970 2.722) 3.534 14.040 ( -2.603 -1.796 0.258) 3.173 17.041 ( -0.849 1.076 -0.187) 1.383 17.085 ( 0.555 0.878 0.212) 1.060 17.181 ( -1.006 -0.086 2.270) 2.485 17.237 ( -0.261 -0.776 0.966) 1.266 17.273 ( -0.252 -0.747 -0.556) 0.965 17.320 ( 0.306 -1.102 0.814) 1.404 17.391 ( 1.049 1.695 0.191) 2.002 17.432 ( -0.164 1.449 -1.523) 2.109 17.653 ( 1.958 -0.802 4.537) 5.006 17.670 ( 0.229 -0.812 3.272) 3.379 17.719 ( -0.907 1.011 1.373) 1.932 17.774 ( -1.904 -0.088 -1.747) 2.586 17.785 ( -1.261 -1.836 -2.091) 3.055 17.803 ( -0.572 -1.248 -1.575) 2.090 17.885 ( -1.066 2.664 -1.885) 3.433 17.946 ( 1.149 0.523 -3.234) 3.472 18.301 ( -2.538 0.092 4.321) 5.012 18.359 ( -1.905 -0.974 1.850) 2.828 18.472 ( -1.527 0.209 2.253) 2.730 18.511 ( -0.507 1.616 0.885) 1.911 18.567 ( -0.771 0.939 1.389) 1.845 18.578 ( -2.624 0.090 3.514) 4.386 18.834 ( 2.139 1.310 -3.649) 4.428 18.902 ( 1.638 -0.497 -1.816) 2.496 20.186 ( 0.753 2.341 1.267) 2.766 20.414 ( 4.336 -2.549 3.204) 5.964 20.488 ( -1.096 1.149 -8.836) 8.977 20.715 ( 0.729 -6.381 -10.156) 12.016 21.539 ( -2.217 1.677 -0.393) 2.808 21.732 ( -1.847 -3.381 -2.987) 4.875 21.868 ( 0.292 1.106 -1.561) 1.935 21.914 ( 0.702 0.021 -5.223) 5.270 22.212 ( -1.458 0.174 0.395) 1.521 22.326 ( 1.394 1.452 2.494) 3.204 22.580 ( -3.178 -3.820 5.397) 7.336 22.771 ( 7.100 -4.157 6.650) 10.579 25.171 ( -4.964 0.691 0.525) 5.039 25.248 ( -2.036 -1.430 -1.886) 3.122 25.506 ( 2.904 1.615 -1.029) 3.478 25.626 ( 6.848 -1.423 -2.025) 7.281 29.166 ( -1.569 0.635 -0.035) 1.693 29.181 ( -1.157 0.497 0.458) 1.340 29.265 ( -1.973 -0.484 0.394) 2.069 29.289 ( -1.483 -0.091 0.190) 1.498 29.472 ( 2.325 0.863 -0.092) 2.481 29.510 ( 1.334 0.985 -1.069) 1.972 29.570 ( 0.810 -0.192 0.406) 0.926 29.583 ( 0.355 0.310 0.271) 0.543 30.956 ( -1.003 1.983 -1.263) 2.556 31.099 ( 3.163 -0.408 -0.687) 3.262 31.165 ( -3.334 -0.412 -3.834) 5.098 31.304 ( 4.560 -3.276 -2.815) 6.281 31.754 ( -1.880 -0.718 4.800) 5.205 31.819 ( -7.387 -2.532 5.431) 9.512 31.961 ( -4.116 4.694 -1.319) 6.381 32.013 ( -0.250 2.164 -4.315) 4.834 32.158 ( -4.818 0.344 -7.544) 8.958 32.251 ( 0.801 0.897 2.726) 2.979 32.429 ( 1.482 6.121 -0.666) 6.333 32.575 ( 4.463 3.572 -3.752) 6.838 32.908 ( -2.732 0.308 2.611) 3.791 32.994 ( -4.986 -2.650 0.645) 5.683 33.186 ( -4.001 -3.959 -2.579) 6.191 33.323 ( 4.704 -3.131 2.634) 6.235 33.392 ( -1.725 6.575 2.790) 7.348 33.627 ( 17.161 -1.775 8.672) 19.310 34.361 ( -7.257 -1.538 -11.497) 13.683 34.424 ( -4.242 -0.782 -7.775) 8.891 34.539 ( 0.359 6.517 -0.331) 6.536 34.891 ( 11.744 -2.961 -1.158) 12.167 35.801 ( -8.058 1.125 12.404) 14.835 36.093 ( 1.033 -7.498 14.197) 16.088 106.323 ( 0.638 0.698 0.552) 1.095 106.350 ( 0.620 0.049 -0.326) 0.702 106.377 ( 0.366 -0.003 1.075) 1.136 106.393 ( 0.115 -0.207 -0.219) 0.322 108.400 ( -0.619 0.997 -0.191) 1.189 108.428 ( 0.167 0.246 -0.549) 0.624 108.486 ( 0.303 -0.491 0.919) 1.085 108.490 ( -0.398 -0.600 0.368) 0.808 ======================= Grid point 61 (32/84) ======================= q-point: (-0.22 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -23.479 13.152 -11.601) 29.305 1.112 ( -25.251 17.074 0.401) 30.485 1.849 ( -15.151 -1.812 -2.084) 15.401 1.924 ( -33.494 14.902 2.255) 36.729 2.110 ( -7.202 -8.635 -3.021) 11.643 2.407 ( 5.330 -3.977 -8.461) 10.762 2.590 ( 1.508 -1.150 -5.735) 6.040 2.651 ( 3.296 3.022 -4.376) 6.257 2.759 ( 4.523 -0.377 0.378) 4.554 2.841 ( 2.187 1.726 -4.856) 5.599 2.893 ( 1.629 4.597 -3.401) 5.945 2.962 ( -0.249 2.421 -2.251) 3.316 3.088 ( 1.863 -4.383 6.091) 7.732 3.163 ( 12.103 4.498 -1.127) 12.961 3.186 ( 1.842 -4.676 2.077) 5.438 3.356 ( 2.850 -1.746 0.190) 3.348 3.440 ( 4.733 0.033 2.656) 5.427 3.614 ( -11.480 -0.428 3.343) 11.965 3.707 ( 4.840 2.665 2.276) 5.975 3.728 ( -3.944 -3.777 -8.273) 9.913 3.801 ( 0.192 1.562 -2.569) 3.012 3.840 ( 1.806 -1.750 -6.256) 6.743 3.985 ( -1.069 -11.793 -0.930) 11.878 4.048 ( -1.760 -5.074 6.121) 8.143 4.100 ( 0.423 0.883 -1.197) 1.546 4.235 ( -1.277 -2.022 -3.331) 4.101 4.260 ( 5.760 -5.722 1.831) 8.323 4.401 ( -3.512 3.031 1.875) 5.003 4.515 ( -4.579 2.883 -3.062) 6.217 4.563 ( -0.742 8.873 -5.416) 10.422 4.615 ( 8.672 0.287 1.635) 8.829 4.684 ( -2.436 4.843 -0.202) 5.425 4.919 ( -7.216 -4.315 0.988) 8.466 4.924 ( -6.443 -4.716 -2.261) 8.299 4.962 ( 4.636 3.198 2.608) 6.207 5.041 ( -2.443 0.569 -0.543) 2.566 5.147 ( 0.593 -2.840 0.248) 2.912 5.288 ( -4.725 -2.212 1.208) 5.355 5.324 ( -2.731 0.709 -2.110) 3.523 5.421 ( -2.599 -4.432 4.837) 7.056 5.442 ( 2.111 8.961 0.085) 9.207 5.517 ( 1.919 2.110 1.566) 3.254 5.678 ( -1.101 -2.654 2.729) 3.963 5.690 ( -4.611 3.876 3.175) 6.809 5.709 ( 5.544 0.469 1.046) 5.662 5.840 ( 2.244 3.882 -2.491) 5.130 5.912 ( 4.788 2.784 -0.624) 5.574 6.031 ( 7.514 -4.307 0.735) 8.692 6.150 ( 2.903 1.122 0.587) 3.167 6.190 ( -0.030 0.948 3.668) 3.788 6.236 ( 0.566 1.676 4.156) 4.516 6.328 ( -2.275 -5.097 -1.777) 5.857 6.330 ( 2.336 -8.777 -0.891) 9.126 6.437 ( 3.049 1.430 0.520) 3.407 6.532 ( 0.177 -2.135 -0.434) 2.186 6.542 ( 0.967 -0.452 1.085) 1.522 6.624 ( -0.706 -8.061 3.336) 8.752 6.689 ( 2.044 0.097 -1.359) 2.456 6.763 ( 1.724 -4.764 -1.682) 5.339 6.794 ( -1.307 -1.354 -2.279) 2.955 6.832 ( 1.932 4.163 2.551) 5.251 6.998 ( -0.404 0.586 -0.140) 0.725 7.108 ( 0.835 6.288 -1.423) 6.501 7.247 ( 11.567 9.435 -5.664) 15.965 7.535 ( -0.123 0.143 1.783) 1.793 7.604 ( -2.170 -3.607 -0.602) 4.252 7.735 ( 0.665 0.521 2.232) 2.387 7.849 ( 4.326 -1.931 4.053) 6.235 7.952 ( 1.684 3.769 2.495) 4.823 8.018 ( -0.793 2.002 -3.039) 3.725 8.352 ( -4.764 -3.043 10.228) 11.686 8.417 ( -5.349 -1.852 9.921) 11.423 9.255 ( -1.265 1.352 2.039) 2.754 9.341 ( -0.499 -0.138 0.247) 0.573 9.416 ( -2.429 0.783 -2.576) 3.626 9.514 ( -1.351 -1.956 -5.190) 5.708 9.679 ( -1.944 2.476 -4.035) 5.117 9.732 ( -0.109 1.287 -0.179) 1.304 9.746 ( -0.671 3.589 -1.874) 4.104 9.907 ( 0.144 -0.823 -9.415) 9.452 10.130 ( -0.280 0.881 0.206) 0.947 10.292 ( 2.414 -3.066 -4.316) 5.819 10.497 ( 1.188 1.784 -0.280) 2.162 10.598 ( 4.729 -1.191 1.706) 5.166 10.889 ( -1.022 -0.188 4.179) 4.307 10.992 ( -1.524 -0.452 4.664) 4.927 11.108 ( 2.507 3.896 -1.479) 4.864 11.310 ( -0.968 -5.382 -2.536) 6.028 11.506 ( 3.961 4.772 3.500) 7.121 11.833 ( 1.355 -7.416 9.605) 12.210 12.073 ( -0.620 0.335 -1.146) 1.345 12.114 ( -0.388 2.005 -0.946) 2.251 12.167 ( -0.013 -1.458 -3.619) 3.902 12.290 ( -3.144 -1.789 0.976) 3.747 12.331 ( 1.037 2.174 -0.699) 2.508 12.438 ( -0.558 -1.174 -0.598) 1.430 12.645 ( 0.201 0.714 -1.453) 1.631 12.742 ( 1.481 -1.868 -1.970) 3.092 12.851 ( -1.120 1.854 -1.198) 2.475 12.929 ( 0.314 1.529 -0.287) 1.587 13.019 ( -1.973 0.226 0.247) 2.001 13.094 ( 0.673 0.429 1.937) 2.095 13.130 ( 0.347 0.270 0.247) 0.504 13.207 ( 1.263 -1.312 -0.179) 1.830 13.459 ( 3.610 0.397 -0.449) 3.660 13.506 ( 4.397 -1.324 1.262) 4.763 13.571 ( 4.726 0.680 2.393) 5.341 13.629 ( 3.481 -0.836 -0.147) 3.583 13.842 ( -3.850 1.148 1.013) 4.143 13.870 ( -1.819 0.414 -0.353) 1.899 13.967 ( -3.498 -0.969 1.276) 3.847 13.981 ( -4.707 -1.142 -1.220) 4.995 17.036 ( 0.722 1.176 -0.089) 1.383 17.105 ( 0.995 1.471 1.020) 2.048 17.195 ( -0.550 -1.665 1.258) 2.158 17.227 ( -1.566 -2.196 0.170) 2.703 17.279 ( 0.885 0.477 0.166) 1.019 17.328 ( -0.456 -0.375 0.677) 0.899 17.370 ( -0.351 2.601 -2.575) 3.677 17.445 ( 1.193 0.825 0.779) 1.647 17.595 ( -7.732 0.564 -8.105) 11.216 17.678 ( -2.200 -0.416 0.077) 2.240 17.697 ( -1.893 -0.418 1.435) 2.412 17.722 ( -0.169 -2.547 -2.303) 3.439 17.771 ( -1.824 -1.299 -0.172) 2.245 17.778 ( 0.451 -1.447 -1.369) 2.042 17.883 ( 0.605 1.513 0.140) 1.635 17.923 ( 1.503 1.757 -2.672) 3.534 18.340 ( -3.196 -1.380 7.310) 8.097 18.357 ( -2.687 -1.150 3.709) 4.722 18.484 ( -1.365 -0.129 2.770) 3.091 18.514 ( -0.022 0.688 0.072) 0.692 18.563 ( -1.221 0.849 0.166) 1.497 18.585 ( -2.416 0.719 3.113) 4.006 18.830 ( 3.129 1.606 -2.696) 4.431 18.897 ( 1.178 -0.491 -1.886) 2.278 20.214 ( -0.037 0.670 1.611) 1.746 20.380 ( 0.923 0.822 -5.695) 5.828 20.505 ( -0.770 -7.215 -4.902) 8.757 20.551 ( -0.244 -4.670 -7.137) 8.533 21.515 ( -2.242 1.806 1.809) 3.400 21.679 ( -1.177 -2.248 -1.635) 3.019 21.863 ( 0.401 0.107 -0.011) 0.415 21.874 ( 0.747 0.173 -2.338) 2.460 22.191 ( -1.351 -1.297 -0.410) 1.917 22.325 ( -4.857 -4.294 0.586) 6.510 22.616 ( 0.447 -0.484 2.384) 2.473 22.927 ( 5.873 -4.641 2.886) 8.022 25.118 ( -4.009 0.757 1.279) 4.276 25.204 ( -2.567 -1.564 1.224) 3.246 25.537 ( 3.044 2.352 -0.807) 3.931 25.694 ( 6.182 -1.655 -1.812) 6.651 29.140 ( -1.494 0.275 -0.433) 1.579 29.169 ( -1.515 -0.748 0.511) 1.765 29.243 ( -1.608 0.072 0.261) 1.631 29.270 ( -1.548 0.176 0.241) 1.577 29.505 ( 2.097 0.763 -0.173) 2.238 29.520 ( 1.796 1.263 -0.376) 2.228 29.568 ( 0.014 0.671 0.177) 0.694 29.618 ( 1.430 -0.503 1.390) 2.057 30.943 ( 0.608 1.478 -0.236) 1.616 31.053 ( -2.799 -1.705 -2.009) 3.844 31.193 ( 5.707 1.095 0.204) 5.815 31.340 ( 2.926 -4.218 0.018) 5.134 31.736 ( -4.972 -0.620 0.106) 5.012 31.778 ( -7.834 -0.881 4.580) 9.118 31.922 ( -2.481 0.595 2.852) 3.827 32.008 ( 1.620 0.937 0.633) 1.976 32.021 ( -5.331 1.291 -0.058) 5.486 32.265 ( -2.100 -2.607 0.969) 3.485 32.484 ( 4.166 10.476 3.390) 11.773 32.566 ( 3.503 3.105 -7.761) 9.063 32.900 ( -2.842 0.301 1.870) 3.415 32.947 ( -1.419 -0.027 0.741) 1.601 33.130 ( 0.644 2.276 0.002) 2.365 33.379 ( 1.701 11.946 1.791) 12.199 33.401 ( 0.924 0.269 -0.526) 1.097 33.984 ( 10.161 -7.927 -0.150) 12.888 34.117 ( 4.040 0.102 -5.372) 6.723 34.299 ( -3.409 -4.786 -4.244) 7.248 34.610 ( 4.903 10.711 3.956) 12.426 34.988 ( 5.287 -1.820 -3.689) 6.699 35.790 ( -9.506 0.795 5.673) 11.098 36.211 ( -5.697 -15.840 5.853) 17.822 106.339 ( 0.940 0.799 0.288) 1.267 106.355 ( 0.635 0.063 -0.330) 0.718 106.393 ( 0.283 0.035 -0.174) 0.334 106.401 ( 0.724 -0.078 1.367) 1.549 108.392 ( -0.233 1.449 0.014) 1.468 108.423 ( 0.033 0.225 -0.370) 0.434 108.478 ( -0.638 -0.591 -0.786) 1.172 108.504 ( 0.302 -0.637 0.584) 0.915 ======================= Grid point 62 (33/84) ======================= q-point: (-0.11 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -17.656 19.497 14.411) 29.993 0.867 ( -18.136 25.957 11.662) 33.744 1.341 ( -39.478 31.690 11.565) 51.928 1.864 ( -0.817 -7.595 3.143) 8.260 2.041 ( -4.874 -6.574 5.619) 9.927 2.456 ( 9.969 -5.485 -0.995) 11.422 2.576 ( 0.677 -5.573 2.828) 6.286 2.655 ( 4.282 3.781 -3.681) 6.796 2.805 ( 1.655 4.192 -1.716) 4.822 2.847 ( 3.863 3.973 -1.570) 5.760 2.897 ( 3.802 2.770 0.255) 4.711 2.990 ( 1.857 -2.928 2.100) 4.054 3.103 ( -9.000 -11.492 3.588) 15.031 3.247 ( 1.666 -5.644 3.882) 7.050 3.305 ( -2.729 0.041 -3.530) 4.462 3.355 ( 8.884 0.563 5.723) 10.583 3.435 ( -3.199 -1.099 -1.007) 3.529 3.545 ( 3.447 1.876 -2.034) 4.420 3.652 ( -5.298 2.789 -0.445) 6.003 3.769 ( -0.157 -4.368 -2.712) 5.144 3.774 ( -4.414 -8.624 0.816) 9.722 3.796 ( 1.340 2.196 2.178) 3.371 3.927 ( 4.750 -2.794 2.025) 5.872 4.098 ( 1.215 4.180 0.172) 4.357 4.167 ( -0.928 -12.610 6.245) 14.102 4.236 ( 2.024 8.575 1.699) 8.973 4.357 ( -1.303 2.204 1.176) 2.818 4.384 ( 3.365 -6.267 2.521) 7.547 4.457 ( -3.961 -0.407 2.136) 4.519 4.508 ( 1.254 8.017 -1.438) 8.241 4.661 ( -1.916 6.984 0.191) 7.244 4.739 ( 3.310 0.085 4.903) 5.916 4.766 ( -3.338 2.770 -1.380) 4.552 4.891 ( -1.199 -5.343 -1.700) 5.734 4.913 ( -7.941 -0.463 -1.715) 8.137 5.096 ( 4.118 4.999 4.681) 7.992 5.166 ( 3.340 -1.031 -0.930) 3.617 5.241 ( -2.981 5.027 -4.866) 7.605 5.263 ( -1.017 -2.592 -0.610) 2.851 5.424 ( -3.266 -4.589 0.239) 5.638 5.479 ( 0.936 5.353 3.213) 6.313 5.533 ( -0.365 -1.053 -1.110) 1.573 5.641 ( -4.719 -5.861 -1.636) 7.701 5.667 ( -3.653 3.065 2.130) 5.223 5.762 ( 4.190 1.363 -2.074) 4.870 5.859 ( 4.930 4.973 -1.461) 7.153 5.986 ( 0.375 0.476 3.840) 3.888 6.091 ( -2.843 0.080 -6.086) 6.718 6.158 ( -0.207 -3.575 -6.120) 7.091 6.170 ( 3.599 -0.920 -1.740) 4.102 6.181 ( -6.837 -6.208 0.566) 9.252 6.329 ( 1.864 -6.502 -1.517) 6.932 6.350 ( 4.428 -2.814 -1.698) 5.514 6.472 ( 2.875 1.332 -2.349) 3.944 6.522 ( -1.698 2.532 -0.259) 3.060 6.545 ( -0.658 -1.768 -2.065) 2.797 6.631 ( 3.338 -4.303 -1.719) 5.711 6.722 ( 2.820 -1.795 3.012) 4.500 6.778 ( -1.009 -2.984 2.147) 3.811 6.780 ( 1.003 -4.048 -0.366) 4.187 6.858 ( 0.788 2.782 -1.528) 3.270 6.978 ( -3.989 -2.309 -1.322) 4.795 7.083 ( 5.352 15.597 -4.007) 16.970 7.258 ( 6.757 14.619 -13.075) 20.744 7.574 ( 1.444 -1.466 -3.155) 3.766 7.595 ( 3.004 -0.359 1.150) 3.237 7.765 ( 2.972 1.697 -1.186) 3.622 7.925 ( 1.253 1.411 -1.246) 2.261 7.965 ( -0.278 2.372 -0.958) 2.574 8.018 ( 2.214 1.418 2.683) 3.757 8.329 ( -2.533 -1.677 -3.471) 4.613 8.449 ( -8.443 -5.308 -1.009) 10.024 9.255 ( -1.303 0.555 0.818) 1.636 9.321 ( -0.344 -0.628 -2.484) 2.585 9.393 ( -1.353 1.505 3.457) 4.006 9.510 ( -0.616 -2.445 6.733) 7.190 9.654 ( 2.294 1.318 0.013) 2.645 9.692 ( 0.343 0.602 -3.465) 3.534 9.777 ( 0.452 2.781 4.240) 5.091 9.861 ( 1.144 -0.509 8.911) 8.999 10.157 ( 0.201 -1.702 5.602) 5.858 10.298 ( 5.469 -2.992 -1.930) 6.526 10.516 ( 1.640 2.548 0.583) 3.086 10.667 ( 3.162 -1.616 -0.206) 3.557 10.929 ( -1.826 0.596 -0.667) 2.033 10.971 ( 1.490 3.734 -4.303) 5.888 11.065 ( -2.006 -1.424 -4.808) 5.401 11.272 ( -3.381 -5.437 4.766) 7.982 11.592 ( 6.165 6.298 -4.582) 9.933 11.895 ( -1.356 -8.206 -3.479) 9.015 12.065 ( -0.999 0.440 1.447) 1.813 12.120 ( -1.071 1.661 2.335) 3.059 12.156 ( 0.964 -0.569 1.232) 1.665 12.287 ( -1.962 -1.739 3.525) 4.393 12.359 ( -0.471 0.584 2.610) 2.716 12.425 ( -2.156 -0.914 1.711) 2.900 12.641 ( 0.672 0.642 0.201) 0.951 12.738 ( 1.585 -1.978 -2.053) 3.262 12.816 ( -0.415 2.041 -2.556) 3.297 12.915 ( -0.310 0.518 -1.500) 1.617 13.008 ( -1.242 0.827 0.907) 1.746 13.120 ( -0.806 -1.424 1.783) 2.420 13.156 ( 2.022 2.142 -0.083) 2.947 13.219 ( 0.737 -0.705 -0.102) 1.024 13.505 ( 4.026 1.114 -1.038) 4.304 13.568 ( 2.829 -1.050 -0.466) 3.053 13.656 ( 4.092 -0.247 -0.784) 4.174 13.672 ( 3.064 -0.349 0.352) 3.104 13.790 ( -3.868 0.145 -0.179) 3.874 13.831 ( -1.349 -0.587 -1.936) 2.432 13.885 ( -4.549 0.206 -1.856) 4.917 13.926 ( -3.281 -0.608 -0.206) 3.343 17.064 ( 2.584 1.361 1.162) 3.143 17.125 ( 0.088 1.722 -0.414) 1.773 17.191 ( 0.705 -2.942 -0.514) 3.069 17.213 ( -0.937 -1.135 -0.148) 1.479 17.291 ( 0.136 0.776 0.204) 0.814 17.323 ( -2.033 -0.152 0.165) 2.045 17.335 ( 0.425 3.561 -1.523) 3.897 17.422 ( -1.652 1.014 -3.507) 4.007 17.461 ( -0.379 -0.620 -0.147) 0.741 17.531 ( -8.074 -4.213 -8.239) 12.281 17.665 ( -1.147 0.302 -1.103) 1.619 17.693 ( -1.371 -0.215 0.303) 1.420 17.764 ( -0.986 0.493 1.117) 1.569 17.782 ( 0.574 -0.168 0.834) 1.026 17.888 ( -0.019 0.813 -0.174) 0.832 17.916 ( -0.027 0.851 -0.699) 1.102 18.346 ( -2.036 -0.064 1.854) 2.755 18.409 ( -4.913 -5.665 7.255) 10.434 18.496 ( -1.743 -0.439 1.768) 2.521 18.509 ( 0.365 -0.565 -0.207) 0.704 18.541 ( -0.475 0.970 -1.375) 1.749 18.605 ( -3.184 -2.909 5.758) 7.194 18.849 ( 2.949 1.253 -1.777) 3.664 18.897 ( 1.982 0.049 -1.149) 2.292 20.189 ( -6.815 -2.013 -8.676) 11.215 20.231 ( -0.822 -2.255 1.934) 3.082 20.396 ( 0.498 3.817 1.323) 4.071 20.595 ( 0.216 -1.920 2.575) 3.220 21.520 ( -2.538 1.790 3.602) 4.756 21.658 ( -0.200 -1.603 -0.129) 1.621 21.869 ( 1.071 0.258 0.257) 1.131 21.904 ( 1.473 -1.278 5.130) 5.488 22.161 ( -4.257 -4.327 0.024) 6.070 22.217 ( -7.061 -4.933 -0.865) 8.657 22.621 ( 1.446 5.170 -4.575) 7.054 22.999 ( 2.874 -4.758 -1.474) 5.751 25.095 ( -2.701 0.949 2.569) 3.847 25.256 ( -1.153 -7.027 11.855) 13.829 25.566 ( 2.143 2.789 -0.445) 3.545 25.748 ( 4.318 -1.966 -1.479) 4.970 29.115 ( -1.404 -0.439 -0.338) 1.509 29.151 ( -1.330 -1.602 -0.275) 2.100 29.222 ( -0.840 1.074 -1.068) 1.732 29.249 ( -1.142 0.512 -0.514) 1.353 29.521 ( 1.381 1.356 -0.806) 2.096 29.545 ( 1.182 -0.235 0.114) 1.210 29.586 ( 0.830 0.661 1.248) 1.638 29.647 ( 0.165 -0.751 1.100) 1.341 30.963 ( 1.868 0.634 0.509) 2.037 31.004 ( -1.957 -0.683 -0.431) 2.117 31.274 ( 5.596 -0.351 -1.257) 5.747 31.375 ( -0.773 -5.187 2.031) 5.623 31.659 ( -6.693 0.705 0.657) 6.762 31.743 ( -2.869 -0.484 3.590) 4.621 31.914 ( -2.247 -0.016 2.666) 3.487 31.965 ( -7.329 -2.081 1.547) 7.775 32.063 ( 0.920 1.147 2.865) 3.221 32.242 ( -1.697 -4.354 0.784) 4.738 32.489 ( 1.012 7.665 -6.214) 9.920 32.627 ( 3.208 0.389 8.362) 8.965 32.876 ( -2.507 0.751 0.271) 2.631 32.939 ( -1.324 -1.040 0.314) 1.713 33.203 ( 2.325 3.802 2.283) 5.007 33.333 ( -3.445 1.564 -2.479) 4.523 33.595 ( 28.353 27.252 -14.816) 42.025 33.928 ( 5.345 -4.370 10.999) 12.987 34.219 ( -1.311 -7.173 -3.911) 8.274 34.355 ( 14.141 -2.709 -0.832) 14.423 34.775 ( 8.466 7.072 6.535) 12.821 34.926 ( -4.812 1.535 -5.606) 7.545 35.696 ( -7.343 -1.017 -1.565) 7.576 35.938 ( -26.857 -17.072 -15.343) 35.329 106.353 ( 0.872 0.557 -0.445) 1.126 106.361 ( 0.720 0.292 -0.070) 0.780 106.394 ( 0.267 0.225 -0.213) 0.409 106.420 ( 0.076 -0.267 -0.552) 0.617 108.399 ( 1.300 1.388 -0.064) 1.902 108.419 ( -0.101 -0.007 -0.326) 0.341 108.446 ( -1.033 1.008 -1.929) 2.410 108.510 ( -0.006 -0.664 -0.115) 0.674 ======================= Grid point 63 (34/84) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -1.307 22.141 13.260) 25.841 1.440 ( 3.430 20.940 11.538) 24.153 1.615 ( -3.218 -8.862 14.902) 17.634 1.867 ( 1.054 -6.971 11.033) 13.093 2.037 ( -4.844 18.790 12.580) 23.126 2.439 ( -4.987 -13.742 1.744) 14.723 2.506 ( 6.314 -4.149 4.181) 8.635 2.604 ( 2.400 -12.476 -1.275) 12.769 2.767 ( 4.717 2.468 2.460) 5.864 2.877 ( 7.115 -6.494 1.466) 9.744 2.907 ( -1.050 3.996 -4.554) 6.149 2.969 ( -3.537 -2.216 -1.577) 4.461 3.115 ( -0.016 6.657 3.010) 7.306 3.247 ( 1.454 1.498 1.431) 2.531 3.295 ( -2.676 -6.397 -0.858) 6.987 3.312 ( 3.167 -3.459 4.620) 6.583 3.502 ( -0.830 5.666 1.311) 5.875 3.579 ( -1.179 5.082 2.610) 5.833 3.637 ( 3.347 -2.286 3.080) 5.091 3.725 ( 4.375 -4.401 4.410) 7.613 3.835 ( -1.483 6.313 5.569) 8.548 3.868 ( 0.582 -0.973 4.757) 4.890 3.933 ( -2.327 -0.795 4.407) 5.047 4.046 ( -0.251 -8.901 6.981) 11.315 4.210 ( -1.252 -0.239 -1.094) 1.679 4.246 ( -2.575 -2.769 -2.955) 4.799 4.282 ( -4.580 3.243 4.605) 7.259 4.386 ( -3.216 -7.219 9.206) 12.133 4.517 ( 4.461 7.791 -3.757) 9.732 4.653 ( 1.793 -4.547 -5.755) 7.551 4.731 ( -2.229 6.660 4.763) 8.486 4.814 ( 7.104 2.421 -0.264) 7.510 4.841 ( -5.273 -0.560 3.459) 6.331 4.891 ( 2.845 1.518 3.596) 4.830 4.943 ( 6.868 5.346 -1.113) 8.774 5.083 ( 2.524 -5.770 -2.144) 6.652 5.122 ( -3.348 0.603 3.813) 5.110 5.211 ( -4.410 -5.609 1.794) 7.357 5.249 ( -6.023 3.998 -4.390) 8.457 5.285 ( -4.898 -0.944 -5.295) 7.274 5.469 ( 3.802 2.528 -0.892) 4.652 5.495 ( 4.205 -0.425 -0.365) 4.243 5.647 ( -1.559 1.949 -2.485) 3.522 5.688 ( 2.141 0.485 0.545) 2.262 5.829 ( -2.311 5.439 -1.872) 6.199 5.926 ( -4.004 1.429 -2.785) 5.083 5.946 ( -4.566 -4.246 -0.636) 6.268 6.003 ( -3.425 -3.257 -2.770) 5.478 6.053 ( 3.259 3.078 -5.797) 7.328 6.105 ( -0.091 -1.482 -2.992) 3.340 6.137 ( 4.646 4.352 -7.831) 10.092 6.245 ( 1.246 -5.363 -4.006) 6.809 6.288 ( -2.596 -1.815 -0.400) 3.193 6.374 ( -0.470 -7.651 -1.295) 7.774 6.476 ( 1.585 0.236 -4.266) 4.557 6.492 ( -0.616 -1.070 -2.592) 2.871 6.635 ( 1.169 -1.012 -0.799) 1.740 6.653 ( 3.388 -2.704 -0.166) 4.338 6.789 ( -0.741 0.951 4.015) 4.192 6.811 ( -0.424 -0.262 2.040) 2.100 6.887 ( 0.935 1.604 -0.331) 1.886 6.914 ( 0.496 -0.628 0.012) 0.801 7.313 ( 0.961 8.906 -8.176) 12.128 7.382 ( 5.277 3.115 -12.005) 13.479 7.534 ( -1.198 0.560 -2.469) 2.801 7.564 ( -2.036 -1.678 -2.232) 3.456 7.806 ( 0.592 2.561 -2.789) 3.833 7.878 ( -0.988 -3.595 -5.679) 6.793 8.004 ( 0.260 5.062 -2.243) 5.543 8.078 ( 0.424 -1.805 -0.051) 1.855 8.199 ( -5.831 2.545 -3.237) 7.138 8.248 ( -3.177 -1.981 -3.208) 4.930 9.255 ( -0.692 1.274 -0.355) 1.493 9.281 ( 0.277 -1.476 -0.643) 1.633 9.477 ( -0.712 2.190 4.708) 5.241 9.517 ( -0.233 -2.187 4.040) 4.600 9.712 ( 2.122 0.941 1.607) 2.824 9.725 ( 1.586 -0.461 3.327) 3.715 9.859 ( -0.420 4.559 6.675) 8.094 9.958 ( 3.279 -5.833 7.663) 10.174 10.206 ( 0.586 0.726 4.592) 4.686 10.273 ( 2.463 -5.996 2.524) 6.956 10.570 ( -0.672 1.982 -1.223) 2.424 10.618 ( -0.459 -3.064 -2.710) 4.116 10.806 ( -3.372 1.156 -8.487) 9.205 10.827 ( -3.090 -0.780 -9.601) 10.116 11.174 ( 6.349 3.223 1.059) 7.199 11.242 ( 2.951 -3.780 0.939) 4.887 11.629 ( -2.017 4.001 -8.688) 9.775 11.685 ( -4.896 -2.368 -6.504) 8.478 12.110 ( 0.830 1.857 2.286) 3.060 12.147 ( 1.643 -1.983 2.233) 3.408 12.213 ( -2.650 2.817 4.783) 6.151 12.266 ( -2.824 -2.758 4.624) 6.080 12.400 ( -0.049 1.893 3.170) 3.692 12.430 ( -0.832 -1.334 4.354) 4.629 12.683 ( 1.061 1.210 0.831) 1.811 12.709 ( 1.248 -1.393 -0.620) 1.970 12.843 ( 1.997 2.435 -2.539) 4.045 12.881 ( 1.101 -1.453 -2.437) 3.043 13.034 ( -0.929 2.847 0.648) 3.064 13.090 ( -0.890 -2.890 1.525) 3.386 13.171 ( -1.020 1.131 -1.489) 2.130 13.193 ( -0.639 -1.277 -1.506) 2.076 13.557 ( -0.154 1.449 -0.773) 1.649 13.575 ( -0.076 -0.234 -1.014) 1.044 13.651 ( -2.625 -0.355 -2.768) 3.831 13.653 ( -0.636 -0.448 -2.902) 3.004 13.760 ( 1.155 1.541 -0.460) 1.980 13.796 ( 2.907 -2.190 -0.009) 3.640 13.856 ( 0.113 1.164 -1.740) 2.096 13.875 ( -0.205 -0.889 -1.430) 1.696 17.101 ( -1.926 1.503 -0.897) 2.603 17.127 ( -2.244 -0.660 -1.966) 3.056 17.154 ( 0.481 -1.047 -1.475) 1.871 17.155 ( 1.046 -1.521 -0.493) 1.910 17.300 ( -0.310 0.558 0.132) 0.652 17.308 ( -0.646 -0.331 0.729) 1.028 17.399 ( 3.032 1.918 0.695) 3.655 17.426 ( 4.351 -0.687 0.302) 4.415 17.465 ( 2.890 0.881 1.127) 3.225 17.491 ( 6.190 -1.569 1.561) 6.574 17.651 ( -0.671 0.807 -0.916) 1.393 17.668 ( -1.081 -0.983 -0.378) 1.509 17.780 ( -0.524 0.927 0.890) 1.388 17.794 ( -0.093 -0.614 1.075) 1.241 17.888 ( -0.343 0.602 -1.071) 1.276 17.898 ( -0.379 -0.391 -1.193) 1.311 18.344 ( -2.569 0.117 2.555) 3.625 18.349 ( -2.991 -0.385 2.482) 3.906 18.491 ( -1.208 0.441 0.980) 1.617 18.504 ( -0.595 -0.872 0.436) 1.142 18.538 ( -0.267 0.570 0.008) 0.629 18.555 ( -2.043 -1.370 1.156) 2.718 18.880 ( 1.754 1.414 -1.419) 2.663 18.901 ( 1.451 -0.766 -1.032) 1.938 20.230 ( 2.726 -0.145 4.085) 4.914 20.252 ( 6.240 -2.607 5.322) 8.606 20.508 ( -0.732 3.579 3.660) 5.172 20.566 ( -1.871 -2.565 2.536) 4.063 21.574 ( -2.173 3.076 3.295) 5.004 21.629 ( -0.738 -2.806 2.558) 3.868 21.912 ( 0.573 0.641 2.703) 2.836 21.933 ( -1.131 -1.890 4.196) 4.739 22.114 ( 1.788 1.423 1.459) 2.711 22.148 ( 0.908 -2.199 0.668) 2.471 22.710 ( -0.162 8.103 -5.392) 9.735 22.854 ( -0.673 -7.297 -5.365) 9.082 25.145 ( -1.586 2.851 4.746) 5.760 25.220 ( -1.975 -5.808 6.927) 9.253 25.639 ( 0.694 3.879 -1.057) 4.079 25.713 ( 1.187 -3.872 -1.339) 4.265 29.095 ( 0.040 0.270 -0.493) 0.564 29.107 ( 0.068 -1.013 -0.741) 1.257 29.234 ( 0.046 1.096 -0.601) 1.251 29.243 ( 0.060 0.072 -0.525) 0.533 29.548 ( 0.320 0.711 0.121) 0.789 29.554 ( 0.348 -0.085 0.227) 0.424 29.614 ( -0.538 0.976 1.097) 1.563 29.635 ( -0.680 -1.097 0.685) 1.461 30.989 ( 0.095 0.375 1.306) 1.362 30.999 ( 1.316 -0.686 1.535) 2.135 31.287 ( -1.032 1.397 -2.145) 2.760 31.318 ( 0.571 -1.747 -2.664) 3.237 31.644 ( -1.971 2.527 1.053) 3.374 31.697 ( -3.205 -3.239 1.902) 4.938 31.941 ( 0.334 2.225 4.718) 5.227 31.971 ( 1.319 -1.157 5.783) 6.043 32.151 ( -1.518 2.915 6.490) 7.275 32.208 ( -0.865 -2.767 4.998) 5.778 32.599 ( 1.739 4.089 0.248) 4.450 32.651 ( -0.469 -2.304 1.206) 2.642 32.881 ( -1.130 1.437 0.064) 1.829 32.904 ( -1.611 -0.892 -0.072) 1.843 33.267 ( -0.812 5.899 -1.059) 6.048 33.350 ( 1.992 -1.236 0.893) 2.509 33.684 ( -1.583 7.421 -11.738) 13.977 33.885 ( -1.057 -13.264 -6.017) 14.603 34.236 ( 1.815 5.021 -6.891) 8.717 34.336 ( -0.396 -5.183 -7.780) 9.357 34.932 ( -0.204 7.677 2.812) 8.179 35.015 ( 5.589 -1.472 5.131) 7.728 35.518 ( 1.057 -0.808 -6.662) 6.793 35.530 ( -3.157 -1.946 -7.390) 8.268 106.361 ( 0.286 0.454 -0.337) 0.633 106.369 ( 0.309 -0.332 -0.079) 0.460 106.396 ( -0.404 0.480 -0.936) 1.127 106.401 ( -0.515 -0.067 -0.595) 0.790 108.410 ( 0.140 0.448 -0.316) 0.566 108.416 ( 0.579 -0.256 -0.127) 0.645 108.461 ( 0.083 1.370 -0.681) 1.533 108.485 ( -0.217 -1.141 -0.746) 1.380 ======================= Grid point 64 (35/84) ======================= q-point: ( 0.11 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 7.111 19.423 13.323) 24.603 1.687 ( 11.039 6.336 8.956) 15.563 1.816 ( 5.906 2.536 12.075) 13.679 2.046 ( 4.671 -4.251 6.479) 9.048 2.221 ( 2.625 3.743 12.712) 13.509 2.402 ( -0.155 -15.485 2.368) 15.666 2.593 ( 6.463 1.801 1.952) 6.987 2.690 ( 2.872 -7.270 3.467) 8.551 2.832 ( 2.553 3.770 -6.740) 8.134 2.895 ( 4.451 7.533 3.181) 9.310 2.914 ( 2.449 -3.748 -3.769) 5.852 3.018 ( 2.685 -5.932 0.039) 6.511 3.178 ( 0.800 -1.184 5.157) 5.351 3.211 ( -4.740 -3.103 9.257) 10.853 3.413 ( 5.695 1.817 11.473) 12.937 3.431 ( 5.649 0.761 -0.049) 5.700 3.466 ( -5.035 6.606 6.170) 10.347 3.568 ( -3.980 -3.372 2.457) 5.766 3.737 ( -1.606 -2.027 6.025) 6.556 3.786 ( -3.078 -2.836 5.109) 6.604 3.872 ( -2.882 6.218 5.410) 8.731 3.932 ( 0.161 -0.211 2.373) 2.388 4.002 ( 1.415 4.447 4.102) 6.214 4.131 ( -2.432 1.384 1.878) 3.370 4.148 ( -3.392 -1.346 -4.587) 5.862 4.180 ( 0.929 -10.596 7.928) 13.266 4.288 ( -1.372 4.320 -2.410) 5.134 4.381 ( -6.686 -5.911 2.462) 9.258 4.566 ( 2.164 -0.618 -1.370) 2.635 4.601 ( 5.129 -3.415 -2.909) 6.814 4.793 ( 1.563 3.844 5.944) 7.249 4.838 ( -3.468 0.806 5.680) 6.704 4.914 ( -2.279 3.379 0.242) 4.083 4.947 ( 4.074 7.179 -0.005) 8.254 4.992 ( 2.500 -3.411 -2.057) 4.703 5.031 ( -4.260 1.967 -0.012) 4.692 5.072 ( -4.716 -1.998 -3.963) 6.476 5.142 ( -2.963 0.174 -4.576) 5.454 5.151 ( 0.360 -2.244 0.667) 2.369 5.215 ( -2.862 -4.314 -1.781) 5.475 5.464 ( 3.044 5.482 -5.662) 8.448 5.529 ( 0.029 0.011 -4.061) 4.061 5.615 ( -0.629 5.320 -3.015) 6.147 5.669 ( -0.948 9.646 -1.428) 9.797 5.762 ( -7.685 -1.913 -5.013) 9.373 5.797 ( 7.640 -7.261 -4.748) 11.560 5.846 ( -0.737 0.355 -7.206) 7.252 5.952 ( 2.157 -5.826 -6.445) 8.951 6.041 ( 2.153 1.231 -1.998) 3.185 6.090 ( 2.554 -2.310 -0.510) 3.481 6.135 ( 0.487 1.891 1.228) 2.307 6.182 ( -4.697 -3.147 -3.755) 6.787 6.274 ( 2.582 2.112 0.735) 3.415 6.374 ( 1.679 -6.102 -1.301) 6.461 6.461 ( 0.412 2.187 1.060) 2.465 6.506 ( 2.901 -3.062 0.882) 4.309 6.599 ( -2.940 -0.805 -2.035) 3.665 6.634 ( -2.340 -3.185 -2.532) 4.694 6.784 ( -5.590 2.937 -3.085) 7.028 6.808 ( -4.876 0.301 -2.819) 5.640 6.923 ( 3.431 1.313 3.230) 4.892 6.938 ( 4.587 -0.910 2.350) 5.234 7.198 ( -2.224 6.458 -7.026) 9.799 7.275 ( 1.755 -0.902 -9.114) 9.325 7.465 ( -2.920 1.467 -2.259) 3.972 7.501 ( -1.581 -2.064 -3.154) 4.087 7.734 ( -5.149 1.421 -3.705) 6.501 7.755 ( -3.302 -0.377 -4.865) 5.892 7.990 ( 1.173 5.300 -1.559) 5.648 8.076 ( 0.599 -3.739 -1.080) 3.938 8.134 ( -2.127 3.683 0.143) 4.255 8.192 ( -0.707 -2.234 -2.338) 3.311 9.246 ( 0.045 2.009 -0.136) 2.014 9.284 ( 0.966 -1.991 -0.285) 2.232 9.520 ( 0.651 2.417 2.281) 3.387 9.567 ( 1.403 -2.527 1.998) 3.514 9.765 ( 0.492 1.143 3.984) 4.174 9.785 ( -0.058 -0.989 4.551) 4.658 9.970 ( 2.254 6.402 6.778) 9.592 10.073 ( 2.587 -3.454 3.228) 5.389 10.276 ( -0.061 -1.010 4.611) 4.721 10.319 ( -0.225 -4.470 1.424) 4.697 10.490 ( -2.050 1.997 -6.700) 7.286 10.534 ( -1.699 -2.789 -7.118) 7.831 10.731 ( 1.193 -0.247 -1.672) 2.069 10.740 ( 0.145 -1.266 -0.941) 1.584 11.167 ( -1.551 2.638 -10.084) 10.538 11.215 ( 2.243 -3.030 -9.569) 10.285 11.534 ( -2.618 2.092 1.808) 3.808 11.572 ( -3.762 -1.866 0.918) 4.298 12.160 ( 0.885 2.000 3.472) 4.104 12.202 ( 1.293 -2.545 2.752) 3.965 12.247 ( -0.800 2.096 4.599) 5.117 12.289 ( -1.848 -2.389 4.328) 5.278 12.462 ( 1.728 2.425 4.205) 5.153 12.493 ( 0.521 -0.954 5.434) 5.542 12.702 ( 0.486 0.946 -0.103) 1.068 12.723 ( 1.292 -1.353 0.343) 1.902 12.855 ( 2.954 1.090 -1.362) 3.430 12.872 ( 2.131 -0.293 -2.707) 3.458 13.040 ( 0.614 2.531 0.870) 2.745 13.098 ( -0.025 -2.751 0.638) 2.824 13.133 ( -1.650 0.626 -1.092) 2.075 13.155 ( -1.606 -1.696 -1.710) 2.894 13.513 ( -3.878 1.062 -0.506) 4.053 13.531 ( -4.275 -0.602 -0.708) 4.374 13.564 ( -3.416 1.434 -2.938) 4.728 13.595 ( -1.943 -1.828 -2.394) 3.584 13.794 ( 3.782 2.794 -0.702) 4.754 13.837 ( 2.160 -1.513 -0.668) 2.721 13.849 ( 2.669 1.025 -2.574) 3.847 13.880 ( 3.466 -2.085 -1.335) 4.260 17.069 ( -1.569 0.514 -0.251) 1.670 17.081 ( -0.869 -0.579 -1.065) 1.491 17.141 ( 0.638 0.140 -1.109) 1.287 17.161 ( 1.047 -2.004 -0.497) 2.315 17.294 ( -0.756 0.579 0.026) 0.952 17.303 ( -0.919 -0.277 0.167) 0.975 17.437 ( 1.291 1.227 0.537) 1.860 17.452 ( 0.219 -0.306 -0.209) 0.431 17.568 ( 5.529 1.486 -0.618) 5.758 17.593 ( 2.105 -0.917 -2.094) 3.107 17.643 ( 1.131 0.336 -1.656) 2.034 17.663 ( 6.042 -1.825 0.313) 6.319 17.788 ( -0.194 0.905 1.416) 1.692 17.806 ( -0.268 -1.017 1.270) 1.649 17.875 ( 0.751 0.833 -1.024) 1.519 17.888 ( 1.347 -0.452 -0.915) 1.690 18.337 ( -1.695 0.988 1.468) 2.450 18.347 ( -1.054 -0.060 1.358) 1.720 18.479 ( -0.286 0.630 -1.056) 1.263 18.489 ( -1.330 -0.654 -0.033) 1.483 18.543 ( -0.103 0.318 0.461) 0.570 18.552 ( -2.730 -0.902 3.309) 4.383 18.886 ( 1.764 1.346 -1.437) 2.643 18.905 ( 1.208 -0.625 -1.131) 1.769 20.291 ( -0.683 3.436 1.969) 4.018 20.387 ( 1.952 -6.913 0.995) 7.251 20.573 ( 2.193 1.641 5.686) 6.311 20.603 ( 3.078 -1.786 4.428) 5.681 21.593 ( -1.062 3.596 3.384) 5.051 21.662 ( 0.125 -3.558 3.040) 4.682 21.944 ( -0.987 1.265 2.610) 3.063 21.972 ( 0.721 -1.307 3.344) 3.662 22.185 ( 2.025 -0.345 1.504) 2.546 22.192 ( 2.748 -1.221 3.317) 4.477 22.611 ( -2.742 6.913 -6.137) 9.642 22.733 ( -4.044 -6.151 -7.852) 10.763 25.191 ( -1.110 3.298 5.131) 6.200 25.275 ( -2.232 -5.973 5.845) 8.649 25.620 ( -1.204 3.763 -1.341) 4.172 25.694 ( -1.186 -4.071 -1.540) 4.511 29.101 ( 1.772 0.086 -0.716) 1.913 29.109 ( 1.507 -0.772 -0.640) 1.810 29.233 ( 0.738 1.252 -0.342) 1.493 29.245 ( 1.110 -0.033 -0.415) 1.186 29.549 ( -0.809 0.789 0.381) 1.192 29.557 ( -0.565 -0.028 0.239) 0.614 29.615 ( -1.163 0.750 1.061) 1.743 29.627 ( -1.529 -0.519 0.544) 1.704 31.021 ( 0.892 1.769 2.481) 3.175 31.055 ( 2.573 -1.903 2.775) 4.236 31.223 ( -2.325 2.913 -2.603) 4.546 31.280 ( -0.112 -3.049 -2.796) 4.138 31.657 ( 0.710 1.524 1.778) 2.447 31.691 ( -0.750 -2.150 1.594) 2.780 32.039 ( 2.398 3.488 4.923) 6.492 32.085 ( 2.131 -1.622 5.942) 6.517 32.222 ( -1.317 1.368 8.407) 8.619 32.241 ( -2.176 -0.220 3.884) 4.457 32.632 ( 1.131 4.008 0.789) 4.239 32.676 ( 3.139 -1.848 0.915) 3.755 32.864 ( -0.490 1.050 -1.061) 1.571 32.876 ( -1.534 -0.344 -0.400) 1.622 33.237 ( -2.586 8.225 -1.548) 8.760 33.378 ( 0.616 -2.516 -0.377) 2.618 33.460 ( -8.459 8.690 -9.015) 15.111 33.721 ( -9.125 -15.198 -9.739) 20.226 34.187 ( 6.426 3.068 -3.736) 8.041 34.249 ( 4.940 -3.343 -4.061) 7.216 34.944 ( -5.127 10.267 4.501) 12.327 35.102 ( -3.678 -6.265 4.006) 8.297 35.433 ( 5.413 3.816 -9.869) 11.885 35.536 ( 9.528 -6.956 -7.727) 14.102 106.356 ( -0.570 0.730 -0.413) 1.014 106.366 ( -0.224 -0.277 -0.525) 0.634 106.377 ( -0.521 0.726 -0.260) 0.931 106.390 ( -0.228 -0.588 -0.266) 0.684 108.411 ( 0.339 0.982 -0.161) 1.051 108.424 ( 0.671 -0.433 -0.171) 0.816 108.457 ( 0.354 0.532 -0.397) 0.753 108.471 ( -0.240 -0.808 -0.861) 1.205 ======================= Grid point 65 (36/84) ======================= q-point: ( 0.22 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 8.271 12.513 13.304) 20.049 1.948 ( 8.522 -7.235 8.214) 13.872 2.056 ( 14.654 7.966 1.707) 16.766 2.147 ( 9.279 -0.650 -2.859) 9.731 2.340 ( 8.960 5.864 0.723) 10.732 2.569 ( 9.986 -12.366 5.517) 16.825 2.711 ( -1.580 4.066 2.161) 4.868 2.780 ( 4.947 -0.626 4.199) 6.519 2.841 ( 3.240 3.082 -0.905) 4.563 2.892 ( 4.804 -2.497 -7.775) 9.475 2.914 ( -3.384 -1.242 8.115) 8.880 3.008 ( 0.966 -9.836 -1.980) 10.079 3.146 ( -4.654 7.997 -3.509) 9.895 3.325 ( -4.824 -7.144 3.970) 9.491 3.486 ( -3.574 0.984 6.176) 7.203 3.507 ( -3.868 -0.616 4.822) 6.212 3.565 ( 3.492 4.179 9.054) 10.566 3.681 ( 2.516 -2.549 3.067) 4.715 3.742 ( -6.346 0.706 5.866) 8.671 3.826 ( -1.040 -5.131 3.431) 6.260 3.887 ( -6.938 6.709 9.230) 13.355 3.909 ( -1.693 5.730 -2.871) 6.629 3.980 ( -3.056 -0.269 7.203) 7.829 4.057 ( -1.781 -6.473 -4.049) 7.840 4.179 ( 0.629 3.565 -6.658) 7.579 4.229 ( 6.268 -0.125 -2.077) 6.604 4.286 ( 2.404 2.938 6.602) 7.616 4.404 ( 1.722 -6.811 5.899) 9.173 4.584 ( 2.471 -0.241 4.258) 4.929 4.641 ( -0.022 -3.990 -0.545) 4.027 4.772 ( -8.584 4.998 0.232) 9.936 4.840 ( -6.289 5.294 -5.294) 9.778 4.895 ( -1.172 -1.439 -3.253) 3.745 4.945 ( -0.378 -0.456 -2.164) 2.243 4.955 ( 0.783 -0.878 7.292) 7.386 4.972 ( -0.710 -0.867 -1.402) 1.795 5.003 ( 1.197 1.534 -4.771) 5.153 5.096 ( 2.202 -1.267 -5.202) 5.789 5.143 ( -1.244 -3.236 -1.269) 3.692 5.188 ( -0.625 -5.302 2.549) 5.916 5.379 ( -2.345 4.407 -5.332) 7.304 5.468 ( 0.546 -3.308 -3.303) 4.707 5.543 ( -3.139 7.145 -3.011) 8.365 5.650 ( 0.945 8.980 -2.365) 9.334 5.668 ( -3.922 -0.667 -0.599) 4.023 5.770 ( 1.429 1.248 -4.820) 5.180 5.871 ( 6.802 -5.639 -1.784) 9.014 5.908 ( 2.872 -3.493 -5.057) 6.783 6.049 ( -0.388 3.339 -3.967) 5.199 6.072 ( -0.067 4.380 1.423) 4.606 6.134 ( -1.397 -3.026 -0.161) 3.336 6.166 ( 0.402 -3.043 3.745) 4.842 6.314 ( 1.968 -0.093 -2.175) 2.935 6.374 ( 1.421 -2.422 -3.271) 4.311 6.447 ( -4.102 2.302 -0.800) 4.771 6.482 ( -7.617 1.589 -5.668) 9.627 6.547 ( 0.473 -4.117 0.269) 4.152 6.568 ( -2.779 -1.859 -2.995) 4.489 6.686 ( -2.136 0.555 3.320) 3.986 6.715 ( 1.030 -3.041 0.567) 3.261 7.016 ( 2.356 1.839 1.133) 3.196 7.033 ( 3.626 -0.213 3.112) 4.783 7.111 ( 0.679 7.604 -2.688) 8.094 7.234 ( 2.528 -4.871 -3.802) 6.676 7.409 ( -2.057 0.946 -1.141) 2.535 7.437 ( -1.788 -2.027 -3.093) 4.108 7.614 ( -5.333 2.543 -2.432) 6.389 7.648 ( -5.324 -1.080 -2.861) 6.140 7.991 ( 0.392 4.732 -0.111) 4.750 8.070 ( 0.387 -3.569 -0.903) 3.702 8.117 ( -0.462 2.262 -0.183) 2.316 8.159 ( -1.127 -1.924 -0.573) 2.302 9.254 ( 0.772 2.480 0.435) 2.634 9.300 ( 1.443 -2.343 0.035) 2.752 9.552 ( 1.140 2.608 0.674) 2.925 9.599 ( 1.637 -2.325 -0.255) 2.855 9.835 ( 0.897 0.511 5.221) 5.323 9.847 ( 0.455 -0.724 4.627) 4.705 10.057 ( 1.199 3.598 2.291) 4.431 10.112 ( -0.276 -1.881 0.278) 1.921 10.294 ( -0.985 1.764 0.055) 2.021 10.318 ( 0.155 -0.787 -2.834) 2.945 10.379 ( -1.843 2.012 -5.907) 6.507 10.451 ( -0.116 -5.318 -0.985) 5.410 10.743 ( 1.149 0.466 0.793) 1.472 10.757 ( 0.754 -1.167 -0.004) 1.390 10.990 ( -3.160 5.133 -8.492) 10.414 11.102 ( -1.337 -7.010 -6.693) 9.784 11.550 ( -1.282 0.807 3.150) 3.495 11.572 ( -1.550 -1.436 2.618) 3.364 12.226 ( 1.815 1.651 3.798) 4.522 12.263 ( 2.295 -2.506 2.867) 4.446 12.297 ( 0.419 1.188 3.186) 3.426 12.324 ( -0.259 -1.608 2.908) 3.333 12.535 ( 0.571 2.270 3.632) 4.321 12.560 ( -0.258 -0.180 3.479) 3.493 12.701 ( 1.407 2.228 -1.553) 3.059 12.750 ( 1.880 -2.707 0.187) 3.301 12.867 ( 2.025 0.694 -2.240) 3.098 12.879 ( 2.132 -0.792 -1.476) 2.711 13.055 ( -0.977 1.626 0.704) 2.023 13.089 ( -0.606 -0.871 -1.564) 1.890 13.121 ( 0.114 -0.417 0.090) 0.441 13.127 ( 0.942 -2.019 0.785) 2.362 13.456 ( -3.707 0.641 -0.234) 3.769 13.463 ( -4.050 -0.305 0.351) 4.077 13.487 ( -3.410 2.585 -1.398) 4.502 13.542 ( -2.545 -3.152 -0.900) 4.150 13.831 ( 2.827 2.321 -1.213) 3.854 13.849 ( 1.968 2.786 -1.288) 3.646 13.857 ( 2.608 -0.937 -1.986) 3.409 13.915 ( 3.365 -3.472 -1.314) 5.010 17.053 ( -0.429 0.606 -0.038) 0.743 17.070 ( 0.014 -1.078 0.007) 1.078 17.149 ( 1.600 1.063 -0.195) 1.931 17.178 ( 1.667 -1.886 -0.144) 2.521 17.284 ( -0.824 0.356 0.589) 1.074 17.292 ( -0.773 -0.491 0.306) 0.966 17.433 ( -1.289 1.773 -0.858) 2.353 17.456 ( 0.347 -0.578 -0.148) 0.690 17.535 ( -0.622 0.167 -4.655) 4.699 17.543 ( -1.426 -0.658 -4.858) 5.106 17.685 ( 3.224 2.474 -0.671) 4.119 17.729 ( 2.568 -2.131 -0.543) 3.381 17.813 ( 0.768 0.264 1.157) 1.413 17.824 ( 0.536 -0.907 1.104) 1.526 17.895 ( 3.036 1.184 0.160) 3.262 17.914 ( 2.988 -0.884 -0.241) 3.126 18.337 ( -0.252 1.271 0.514) 1.394 18.351 ( -0.464 -0.188 0.889) 1.021 18.464 ( -0.048 0.369 -0.725) 0.815 18.473 ( -0.662 -0.513 -0.003) 0.838 18.548 ( -0.985 0.542 1.556) 1.920 18.554 ( -3.136 -0.280 3.532) 4.732 18.893 ( 1.874 1.018 -1.428) 2.567 18.907 ( 1.345 -0.510 -1.324) 1.955 20.267 ( -2.838 4.149 -0.606) 5.063 20.352 ( -3.691 -4.605 -1.593) 6.113 20.692 ( 4.076 1.165 4.525) 6.200 20.726 ( 5.501 -2.770 2.598) 6.684 21.627 ( 0.029 3.885 2.796) 4.787 21.706 ( 0.680 -4.402 2.654) 5.185 21.972 ( 0.903 3.443 2.249) 4.211 22.034 ( 1.795 -3.001 3.484) 4.936 22.220 ( 0.001 1.098 0.897) 1.418 22.240 ( 0.247 -0.738 -0.288) 0.830 22.504 ( -3.304 2.093 -2.454) 4.618 22.557 ( -5.684 -3.302 -7.849) 10.238 25.239 ( -0.930 2.924 4.445) 5.401 25.308 ( -2.082 -4.497 4.141) 6.458 25.575 ( -2.096 3.362 -1.744) 4.328 25.643 ( -2.673 -3.843 -1.955) 5.073 29.123 ( 2.572 0.298 -0.631) 2.665 29.134 ( 2.865 -0.891 -0.364) 3.022 29.244 ( 1.181 1.411 -0.141) 1.845 29.261 ( 1.598 -0.346 -0.205) 1.647 29.531 ( -2.162 0.867 0.167) 2.335 29.543 ( -1.623 -0.331 -0.012) 1.657 29.610 ( -1.689 0.360 0.536) 1.808 29.612 ( -1.124 0.082 1.024) 1.523 31.067 ( 0.787 2.911 2.159) 3.709 31.107 ( 0.169 -0.871 -0.203) 0.911 31.206 ( 3.561 1.468 0.612) 3.900 31.267 ( 2.336 -4.089 -0.744) 4.768 31.694 ( -0.150 1.249 2.915) 3.175 31.715 ( 0.227 -1.263 2.756) 3.040 32.061 ( -2.734 3.478 -0.864) 4.508 32.122 ( -1.547 -2.740 -2.309) 3.903 32.294 ( 0.604 3.634 8.046) 8.850 32.353 ( 1.513 -2.877 9.715) 10.245 32.650 ( -1.704 6.847 0.773) 7.098 32.705 ( -0.289 2.238 -2.470) 3.346 32.850 ( 0.696 -0.850 -0.813) 1.367 32.862 ( 2.676 0.398 -1.416) 3.053 33.171 ( -3.039 1.773 0.275) 3.529 33.245 ( -9.907 -4.268 -3.310) 11.284 33.390 ( 2.493 4.152 -2.232) 5.333 33.486 ( -5.143 -5.188 -6.281) 9.634 34.294 ( 9.952 1.001 -1.863) 10.174 34.351 ( 11.155 -4.290 -1.113) 12.003 34.937 ( -4.966 6.391 7.116) 10.777 35.054 ( -8.311 -6.073 5.425) 11.635 35.387 ( 5.457 7.298 -10.966) 14.258 35.525 ( 4.249 -7.478 -9.037) 12.476 106.338 ( -0.925 0.998 -0.384) 1.414 106.354 ( -0.605 -0.584 -0.398) 0.930 106.372 ( -0.279 0.737 0.122) 0.797 106.388 ( -0.101 -0.810 0.073) 0.820 108.414 ( 0.402 0.893 -0.184) 0.996 108.428 ( 0.455 -0.556 -0.458) 0.852 108.460 ( 0.098 -0.036 -0.414) 0.427 108.461 ( 0.474 -0.137 0.007) 0.493 ======================= Grid point 66 (37/84) ======================= q-point: ( 0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 5.115 3.758 5.440) 8.359 2.080 ( 2.359 -8.958 1.104) 9.329 2.257 ( 13.863 5.447 -0.749) 14.913 2.319 ( 14.899 1.970 2.977) 15.320 2.538 ( 15.322 11.899 -2.300) 19.536 2.647 ( 1.406 8.577 -3.579) 9.400 2.739 ( -0.491 -2.220 -1.070) 2.513 2.763 ( -1.908 4.839 -0.480) 5.224 2.878 ( 4.783 -0.893 -5.405) 7.273 2.904 ( 4.167 2.315 1.512) 5.001 2.973 ( 2.548 -12.080 -1.500) 12.437 3.038 ( -1.232 3.576 -0.719) 3.850 3.078 ( 1.294 -11.933 4.868) 12.953 3.192 ( -7.640 -6.372 -6.271) 11.760 3.453 ( -6.897 0.109 -2.005) 7.184 3.462 ( -5.698 -2.721 1.590) 6.511 3.603 ( -9.460 4.541 -2.012) 10.685 3.662 ( -4.497 -0.020 -2.470) 5.131 3.750 ( -4.679 2.042 1.928) 5.457 3.763 ( 1.807 -0.790 5.778) 6.105 3.882 ( -2.730 -0.844 -3.991) 4.909 3.901 ( -0.793 -3.824 -0.255) 3.913 4.003 ( -0.043 3.792 4.937) 6.226 4.084 ( -2.813 -2.451 4.465) 5.819 4.181 ( 3.056 6.945 0.943) 7.646 4.273 ( 5.198 -1.912 -1.688) 5.791 4.423 ( 4.656 3.481 0.167) 5.815 4.447 ( 0.545 -1.154 -7.205) 7.317 4.578 ( -6.947 4.676 4.235) 9.384 4.684 ( -2.815 -5.913 4.670) 8.043 4.733 ( 3.807 3.476 3.550) 6.259 4.782 ( -0.573 1.914 -2.442) 3.156 4.806 ( -1.784 -2.847 5.130) 6.132 4.871 ( 0.840 -6.620 -6.849) 9.562 4.964 ( 3.278 4.115 -1.559) 5.488 5.022 ( 2.676 2.387 2.706) 4.492 5.056 ( -0.180 -3.073 0.947) 3.221 5.109 ( 2.632 -1.665 1.013) 3.275 5.122 ( -0.070 -0.967 -1.046) 1.426 5.163 ( 1.276 -4.572 3.522) 5.910 5.360 ( 0.277 0.916 0.736) 1.208 5.430 ( -0.892 -5.514 -1.607) 5.812 5.481 ( -4.457 5.125 3.433) 7.610 5.585 ( -7.308 -3.773 2.358) 8.556 5.685 ( 4.613 8.104 -0.771) 9.356 5.748 ( 0.196 2.999 -1.443) 3.334 5.815 ( -4.308 3.261 -3.337) 6.350 5.898 ( 0.041 -5.567 -3.575) 6.616 6.003 ( 0.358 5.004 -6.526) 8.232 6.095 ( -5.528 -5.830 -1.691) 8.211 6.117 ( -3.861 2.842 0.003) 4.795 6.162 ( 2.911 2.867 3.724) 5.528 6.269 ( -1.913 0.092 -2.435) 3.098 6.322 ( -3.718 3.312 -1.357) 5.160 6.336 ( -1.813 -0.004 -1.742) 2.514 6.429 ( 2.326 -7.102 3.669) 8.326 6.561 ( 4.965 0.927 0.035) 5.051 6.584 ( 1.779 -2.086 1.562) 3.155 6.737 ( -0.814 0.856 3.816) 3.994 6.772 ( 2.089 -3.236 0.822) 3.938 7.040 ( 1.382 5.253 0.151) 5.433 7.105 ( 2.813 -1.704 0.831) 3.393 7.116 ( 2.991 5.289 -3.126) 6.833 7.206 ( 1.746 -3.747 -5.977) 7.268 7.377 ( -2.483 -0.944 0.560) 2.715 7.389 ( -0.602 -1.823 0.450) 1.972 7.544 ( -4.230 1.384 2.541) 5.125 7.557 ( -5.700 0.063 2.126) 6.084 7.993 ( -0.564 4.100 0.254) 4.146 8.064 ( 0.369 -3.240 -0.669) 3.329 8.111 ( -0.405 1.575 0.215) 1.640 8.151 ( -1.474 -2.498 2.121) 3.593 9.273 ( 0.831 2.639 0.516) 2.814 9.321 ( 1.356 -2.430 0.013) 2.783 9.571 ( 0.881 2.512 0.152) 2.666 9.613 ( 1.293 -1.884 -0.472) 2.334 9.894 ( 1.492 0.570 0.451) 1.659 9.912 ( 2.036 -1.336 1.602) 2.914 10.061 ( -0.619 0.701 -2.447) 2.620 10.072 ( -1.353 -0.450 -4.264) 4.496 10.259 ( 0.496 1.171 -2.662) 2.950 10.268 ( 0.750 -0.037 -3.141) 3.230 10.350 ( -1.208 5.688 4.129) 7.132 10.475 ( -1.999 -7.140 4.706) 8.781 10.757 ( 0.466 0.411 -0.396) 0.737 10.764 ( 0.440 -0.340 0.335) 0.649 10.896 ( -0.800 6.024 -1.850) 6.352 11.026 ( -0.944 -7.788 -2.881) 8.358 11.565 ( -1.388 0.016 1.947) 2.391 11.576 ( -1.619 -1.166 1.465) 2.475 12.295 ( 2.211 0.965 1.233) 2.709 12.315 ( 1.647 -0.613 -0.655) 1.876 12.335 ( 0.522 0.331 0.788) 1.001 12.354 ( 0.330 -1.521 3.125) 3.491 12.549 ( -1.970 1.485 0.251) 2.480 12.571 ( -0.789 -0.576 -0.023) 0.977 12.708 ( 1.884 3.602 -1.222) 4.245 12.771 ( 1.484 -2.422 -1.051) 3.028 12.864 ( 1.279 -0.396 -2.349) 2.704 12.879 ( 1.583 -1.388 -1.608) 2.649 13.054 ( -0.179 0.110 0.939) 0.963 13.059 ( -0.276 -0.514 -0.744) 0.945 13.146 ( 0.828 0.633 1.265) 1.639 13.163 ( 0.995 -1.306 1.955) 2.553 13.405 ( -2.757 1.531 -0.271) 3.165 13.426 ( -2.577 -0.866 0.629) 2.790 13.439 ( -2.700 2.596 0.664) 3.804 13.501 ( -2.376 -3.673 -0.077) 4.375 13.848 ( 1.627 1.407 -0.440) 2.195 13.859 ( 2.100 3.087 -1.318) 3.960 13.877 ( 1.624 0.003 0.289) 1.649 13.941 ( 2.214 -3.784 -0.570) 4.421 17.049 ( -0.206 0.818 -0.022) 0.844 17.074 ( 0.101 -1.652 0.278) 1.678 17.175 ( 1.866 1.488 0.147) 2.391 17.196 ( 0.967 -0.726 0.053) 1.210 17.296 ( 0.768 0.595 1.495) 1.783 17.311 ( 1.642 -1.141 1.966) 2.804 17.392 ( -2.061 2.650 -1.627) 3.731 17.435 ( -1.351 -1.871 -2.667) 3.526 17.465 ( -1.005 0.781 -2.794) 3.070 17.482 ( -0.198 -0.887 -1.802) 2.018 17.707 ( 1.378 2.048 -0.338) 2.491 17.745 ( 1.119 -1.835 -0.451) 2.196 17.830 ( 0.560 0.538 0.106) 0.784 17.839 ( 0.385 -0.494 0.169) 0.648 17.942 ( 2.571 0.270 0.058) 2.586 17.951 ( 2.221 -0.666 0.211) 2.328 18.338 ( 0.053 1.053 -0.326) 1.103 18.353 ( -0.195 -0.489 0.093) 0.535 18.461 ( -0.716 0.539 1.047) 1.378 18.473 ( -0.050 -0.393 0.694) 0.799 18.553 ( -2.028 0.440 2.609) 3.333 18.558 ( -2.220 0.033 2.906) 3.657 18.900 ( 1.855 0.703 -1.723) 2.627 18.908 ( 1.337 -0.117 -1.617) 2.101 20.222 ( -1.350 3.035 -1.135) 3.510 20.279 ( -3.070 -2.875 -1.657) 4.520 20.775 ( 2.907 0.931 -0.034) 3.052 20.800 ( 3.242 -1.908 -0.616) 3.812 21.657 ( 0.064 4.074 1.414) 4.312 21.739 ( 0.337 -4.622 1.124) 4.768 22.033 ( 3.270 4.043 2.585) 5.807 22.108 ( 2.138 -3.980 2.978) 5.411 22.164 ( -2.526 2.582 -5.059) 6.216 22.211 ( -1.307 -2.286 -3.247) 4.180 22.415 ( -4.087 2.385 -1.644) 5.009 22.470 ( -2.941 -3.495 3.055) 5.495 25.275 ( -1.122 2.179 3.197) 4.028 25.324 ( -2.049 -3.044 2.753) 4.587 25.524 ( -1.243 2.602 -2.194) 3.623 25.577 ( -2.373 -3.087 -2.365) 4.556 29.156 ( 2.881 0.901 -0.267) 3.030 29.175 ( 3.185 -1.008 -0.158) 3.345 29.258 ( 0.933 1.322 -0.098) 1.621 29.278 ( 0.987 -0.697 -0.130) 1.216 29.499 ( -2.349 0.854 0.065) 2.500 29.514 ( -2.128 -0.724 -0.141) 2.252 29.594 ( -1.303 1.071 0.249) 1.705 29.609 ( -1.068 -0.551 0.732) 1.407 31.082 ( 0.570 1.948 -1.769) 2.693 31.090 ( -0.343 1.641 -0.038) 1.677 31.266 ( 4.969 1.069 -2.385) 5.614 31.340 ( 4.624 -6.275 1.864) 8.015 31.730 ( -1.950 2.099 5.073) 5.826 31.761 ( -0.996 -1.272 4.815) 5.078 31.989 ( -3.220 2.269 -1.908) 4.377 32.033 ( -3.023 -2.147 -3.760) 5.280 32.396 ( 0.807 3.783 3.585) 5.274 32.464 ( -0.373 -3.186 4.418) 5.460 32.554 ( -4.951 9.448 -4.201) 11.464 32.659 ( -2.167 -1.210 -2.001) 3.188 32.860 ( 1.247 -0.547 1.056) 1.723 32.897 ( 2.562 -3.594 -1.125) 4.555 33.131 ( -2.616 1.354 1.021) 3.117 33.176 ( 0.092 -2.691 1.513) 3.089 33.411 ( 2.198 2.645 0.080) 3.440 33.417 ( 0.486 1.510 -0.954) 1.851 34.367 ( 5.296 -0.221 -3.208) 6.196 34.430 ( 4.696 -5.884 -4.617) 8.831 34.984 ( -2.423 4.061 4.437) 6.485 35.076 ( -2.050 -5.873 6.253) 8.820 35.319 ( 2.839 9.283 -4.031) 10.511 35.466 ( 1.359 -6.591 -2.711) 7.255 106.324 ( -0.654 1.017 -0.088) 1.212 106.342 ( -0.515 -0.857 -0.183) 1.016 106.370 ( -0.268 0.883 0.216) 0.947 106.387 ( -0.183 -0.860 0.172) 0.896 108.418 ( 0.483 0.415 -0.107) 0.645 108.426 ( 0.280 -0.383 -0.553) 0.729 108.460 ( 0.230 0.592 -0.056) 0.638 108.470 ( 0.332 -0.490 0.335) 0.680 ======================= Grid point 67 (38/84) ======================= q-point: ( 0.44 0.40 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.710 -0.657 -2.589) 2.763 2.071 ( -2.000 -7.073 -2.045) 7.630 2.407 ( 5.227 5.459 -2.637) 8.005 2.486 ( 3.810 -2.653 -5.838) 7.459 2.558 ( 5.895 11.744 -6.053) 14.467 2.661 ( -0.066 2.136 -3.367) 3.988 2.700 ( 5.145 6.445 -5.368) 9.840 2.774 ( 5.334 2.852 -1.846) 6.324 2.865 ( 1.385 4.999 -1.788) 5.487 2.892 ( -5.596 6.396 -6.683) 10.811 2.948 ( 0.959 3.601 -1.192) 3.912 3.027 ( -4.554 -5.034 -2.120) 7.111 3.093 ( 1.942 -12.679 -3.219) 13.225 3.181 ( 12.468 -13.812 1.143) 18.642 3.314 ( -4.556 8.812 -3.364) 10.475 3.406 ( -8.857 -0.960 -9.504) 13.027 3.426 ( -2.284 -4.684 -1.204) 5.348 3.544 ( 1.524 -10.614 -0.448) 10.732 3.729 ( -4.729 10.354 5.729) 12.743 3.801 ( 1.268 4.366 -2.329) 5.108 3.836 ( -2.694 1.895 -1.697) 3.705 3.926 ( -1.926 -5.786 10.133) 11.826 4.007 ( -3.257 2.900 -7.749) 8.892 4.082 ( -1.397 -3.339 3.694) 5.172 4.229 ( -4.365 6.826 -4.088) 9.075 4.284 ( 6.265 -2.237 -0.451) 6.668 4.309 ( 1.828 -2.977 -11.954) 12.454 4.389 ( 0.604 -5.372 -5.523) 7.728 4.536 ( -5.089 8.819 -1.100) 10.241 4.643 ( -5.163 -0.277 0.219) 5.175 4.752 ( -3.372 -1.031 1.645) 3.890 4.787 ( -1.225 -2.478 0.614) 2.831 4.866 ( 6.045 1.370 0.530) 6.221 4.923 ( 5.444 -4.376 4.559) 8.341 5.025 ( 1.304 5.952 -1.255) 6.221 5.065 ( -2.028 -2.180 3.303) 4.447 5.108 ( 0.422 -3.893 2.311) 4.547 5.122 ( 1.504 -2.212 0.808) 2.795 5.198 ( 3.995 -0.519 6.751) 7.862 5.265 ( 0.507 -5.389 7.274) 9.067 5.398 ( 2.363 1.997 3.272) 4.504 5.430 ( 1.553 -1.782 2.572) 3.493 5.476 ( -4.615 2.879 3.674) 6.564 5.526 ( -7.849 -1.079 5.178) 9.464 5.673 ( -1.403 5.717 -0.107) 5.888 5.757 ( -5.928 -3.881 -2.348) 7.465 5.798 ( 7.238 4.960 1.348) 8.877 5.823 ( 0.086 4.656 0.427) 4.677 5.961 ( 6.088 -3.873 -1.842) 7.447 6.007 ( -2.467 -5.410 -0.675) 5.984 6.117 ( -0.671 2.141 2.131) 3.094 6.198 ( -1.667 -2.137 -1.523) 3.109 6.233 ( 2.375 5.240 2.386) 6.228 6.291 ( -0.452 2.087 1.044) 2.377 6.386 ( 0.872 5.569 5.512) 7.884 6.524 ( 0.959 -6.044 4.374) 7.522 6.594 ( -1.878 0.143 -0.530) 1.956 6.628 ( 1.234 -0.911 0.717) 1.693 6.740 ( -2.757 1.354 1.176) 3.289 6.789 ( 0.962 -2.790 -0.755) 3.046 7.020 ( -0.840 5.275 -3.445) 6.356 7.114 ( 0.032 -4.235 -2.689) 5.017 7.125 ( 3.435 1.468 -2.699) 4.609 7.139 ( 1.055 -0.558 -6.764) 6.869 7.394 ( 2.410 1.907 4.004) 5.047 7.440 ( 2.782 -2.490 4.429) 5.792 7.545 ( -4.470 1.177 6.041) 7.607 7.557 ( -4.316 -0.279 7.859) 8.971 7.983 ( -0.491 4.341 -0.394) 4.386 8.066 ( 0.395 -3.785 -0.162) 3.809 8.122 ( 0.059 1.199 2.420) 2.702 8.169 ( -1.820 -3.240 4.274) 5.664 9.285 ( 0.007 2.697 0.278) 2.711 9.334 ( 0.465 -2.519 -0.125) 2.565 9.583 ( 0.271 2.642 0.237) 2.667 9.627 ( 0.745 -2.026 0.253) 2.173 9.871 ( 0.309 0.955 -6.218) 6.299 9.900 ( 0.380 -2.190 -5.856) 6.263 10.006 ( 0.846 0.846 -3.939) 4.117 10.017 ( 1.030 -0.269 -3.234) 3.404 10.255 ( 1.779 2.598 -1.354) 3.427 10.283 ( 2.392 -0.524 0.023) 2.449 10.407 ( -2.151 3.535 7.714) 8.754 10.492 ( -3.945 -4.804 4.208) 7.507 10.774 ( 0.708 0.359 1.744) 1.916 10.777 ( 0.489 0.087 1.778) 1.846 10.903 ( 0.378 3.869 2.750) 4.762 10.999 ( 1.129 -6.135 -1.093) 6.333 11.559 ( -1.753 -0.200 0.756) 1.919 11.569 ( -1.356 -1.292 1.037) 2.140 12.285 ( -0.345 -0.003 -4.061) 4.076 12.288 ( 0.446 -0.197 -4.953) 4.977 12.347 ( -0.945 2.028 0.651) 2.330 12.390 ( -1.021 -2.595 1.655) 3.243 12.505 ( -0.710 2.239 -3.467) 4.188 12.547 ( 0.154 -2.000 -2.730) 3.388 12.713 ( 0.349 3.120 -0.774) 3.233 12.764 ( 0.846 -1.954 -2.476) 3.266 12.852 ( 1.742 1.872 -1.386) 2.909 12.900 ( 2.692 -2.757 -0.011) 3.854 13.053 ( -0.300 0.412 0.455) 0.683 13.073 ( -0.701 -1.634 1.767) 2.507 13.164 ( -0.350 1.187 0.565) 1.360 13.185 ( -0.639 -1.151 0.456) 1.393 13.381 ( -0.498 2.111 0.407) 2.207 13.406 ( -1.188 -0.409 0.392) 1.316 13.421 ( -1.618 1.650 1.401) 2.702 13.478 ( -0.941 -3.613 0.326) 3.748 13.871 ( 0.904 1.282 1.171) 1.958 13.879 ( 1.421 2.488 0.500) 2.908 13.908 ( 0.789 0.453 1.915) 2.120 13.968 ( 1.298 -3.792 0.946) 4.118 17.049 ( 0.147 1.117 0.310) 1.168 17.079 ( -0.030 -1.824 0.364) 1.861 17.199 ( 0.879 1.138 0.360) 1.482 17.208 ( 0.228 -0.010 0.584) 0.627 17.316 ( -1.811 1.110 -1.434) 2.563 17.331 ( -0.489 0.038 -0.710) 0.863 17.367 ( 0.755 2.047 0.718) 2.297 17.420 ( 1.761 -2.791 1.980) 3.848 17.460 ( 1.668 1.105 1.719) 2.638 17.483 ( 1.368 -1.247 1.363) 2.299 17.721 ( 0.760 1.734 0.096) 1.896 17.754 ( 0.732 -1.705 -0.172) 1.864 17.832 ( 0.159 0.479 -0.641) 0.816 17.838 ( -0.077 -0.254 -0.691) 0.741 17.963 ( 1.087 0.460 -0.593) 1.321 17.975 ( 0.674 -0.848 -0.059) 1.085 18.329 ( -0.455 1.065 -0.613) 1.310 18.348 ( -0.351 -0.928 -0.246) 1.022 18.469 ( -1.277 0.980 2.252) 2.768 18.487 ( -0.392 -0.628 1.846) 1.989 18.561 ( -2.174 0.484 3.105) 3.821 18.566 ( -1.468 0.149 2.308) 2.739 18.897 ( 1.482 0.676 -2.482) 2.968 18.903 ( 1.360 0.043 -2.017) 2.433 20.207 ( 0.515 1.716 -0.589) 1.886 20.239 ( -0.059 -1.626 -0.478) 1.696 20.765 ( 0.653 1.587 -5.317) 5.587 20.801 ( 1.072 -2.315 -3.972) 4.721 21.660 ( -0.873 4.018 -0.250) 4.119 21.740 ( -0.591 -4.534 -0.676) 4.622 22.039 ( -2.297 1.330 -6.169) 6.716 22.059 ( 0.024 -0.687 -6.499) 6.535 22.170 ( 2.926 2.385 4.162) 5.619 22.220 ( 2.214 -2.241 3.327) 4.582 22.404 ( -0.541 2.567 4.312) 5.048 22.476 ( -3.189 -4.728 4.142) 7.048 25.284 ( -2.356 1.465 1.683) 3.245 25.315 ( -3.102 -1.862 1.320) 3.851 25.496 ( 1.531 1.536 -2.198) 3.087 25.529 ( 0.387 -2.023 -2.365) 3.136 29.191 ( 1.944 1.385 -0.002) 2.387 29.209 ( 1.343 -0.199 -0.087) 1.361 29.269 ( 0.925 0.203 0.026) 0.948 29.282 ( -0.301 -0.899 0.010) 0.948 29.473 ( -1.249 0.950 0.071) 1.571 29.490 ( -0.859 -0.869 0.008) 1.222 29.579 ( -0.708 1.410 -0.250) 1.598 29.601 ( -0.894 -0.893 0.195) 1.278 31.070 ( 1.330 2.013 -1.856) 3.044 31.081 ( -0.141 1.385 -1.084) 1.764 31.276 ( 3.240 1.653 -5.072) 6.241 31.361 ( -0.141 -6.901 -4.644) 8.319 31.746 ( -3.933 2.488 3.640) 5.908 31.793 ( -4.113 -2.617 4.725) 6.789 31.985 ( 0.868 2.130 4.738) 5.267 32.012 ( 2.060 -0.952 3.103) 3.844 32.367 ( -1.925 3.190 -5.591) 6.719 32.411 ( -2.649 0.541 -6.540) 7.077 32.505 ( -0.021 5.877 0.185) 5.880 32.618 ( -0.494 -4.252 -1.631) 4.581 32.898 ( 0.233 -0.909 1.326) 1.624 32.919 ( 1.424 -3.279 2.373) 4.291 33.126 ( -1.323 4.036 0.387) 4.265 33.199 ( -0.604 -3.591 1.719) 4.027 33.422 ( 0.981 4.690 0.301) 4.801 33.456 ( 0.719 1.323 2.302) 2.751 34.394 ( 4.538 -1.256 -2.713) 5.434 34.442 ( 6.075 -5.195 -1.651) 8.162 34.901 ( -5.612 4.230 -7.614) 10.362 34.978 ( -5.868 -3.605 -10.059) 12.191 35.478 ( 4.082 4.470 15.636) 16.767 35.566 ( 3.287 -4.452 11.732) 12.972 106.318 ( -0.180 0.961 0.197) 0.997 106.336 ( -0.091 -0.881 -0.010) 0.885 106.370 ( -0.226 0.884 0.260) 0.949 106.386 ( -0.209 -0.830 0.121) 0.864 108.423 ( 0.182 0.150 -0.192) 0.304 108.426 ( 0.513 -0.150 -0.076) 0.540 108.463 ( 0.127 0.820 0.138) 0.841 108.477 ( -0.034 -0.706 0.427) 0.826 ======================= Grid point 68 (39/84) ======================= q-point: (-0.44 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -8.911 4.504 -4.039) 10.770 1.986 ( -3.829 -4.309 -6.210) 8.473 2.275 ( -5.514 5.205 -13.798) 15.744 2.369 ( -5.840 -3.914 -14.347) 15.976 2.510 ( -2.909 2.130 -3.720) 5.181 2.523 ( -5.911 -1.368 -2.257) 6.473 2.724 ( 3.562 5.532 -3.418) 7.415 2.766 ( 2.906 -0.025 -9.292) 9.736 2.788 ( 0.094 -1.130 -8.022) 8.102 2.875 ( 6.202 0.843 -5.801) 8.534 2.966 ( 0.455 0.373 -2.371) 2.443 3.007 ( 3.008 -0.145 2.175) 3.715 3.045 ( 1.435 7.087 -0.886) 7.285 3.202 ( -4.131 0.945 -1.851) 4.625 3.225 ( 1.657 -1.106 -4.512) 4.932 3.313 ( 7.624 -10.409 -4.303) 13.601 3.510 ( 8.249 3.279 6.187) 10.820 3.625 ( 2.564 -1.040 -3.949) 4.822 3.698 ( -6.809 12.203 -2.535) 14.202 3.732 ( -4.303 0.576 -0.511) 4.372 3.821 ( -2.343 0.673 0.344) 2.462 3.874 ( 1.679 2.039 -3.897) 4.707 3.952 ( -7.090 -5.074 2.726) 9.135 4.066 ( -4.193 -7.778 -3.948) 9.678 4.142 ( 0.113 5.280 2.756) 5.957 4.225 ( -1.239 -3.417 -5.623) 6.696 4.281 ( -0.352 -6.775 -5.917) 9.002 4.335 ( 2.229 -7.265 -1.019) 7.667 4.470 ( 0.377 8.418 -2.442) 8.773 4.581 ( -2.762 -2.184 0.083) 3.522 4.755 ( 0.721 1.374 1.745) 2.335 4.797 ( 1.488 -1.714 -1.454) 2.695 4.931 ( 3.467 3.809 0.114) 5.152 4.986 ( -6.306 -1.099 -0.875) 6.461 5.002 ( -4.643 -1.734 0.614) 4.994 5.023 ( 2.217 -5.115 -0.958) 5.656 5.119 ( -2.711 -0.729 3.423) 4.427 5.132 ( -1.055 -1.836 1.129) 2.400 5.330 ( -3.014 0.457 6.503) 7.182 5.351 ( -0.497 -1.834 7.463) 7.701 5.448 ( 3.191 5.654 3.639) 7.443 5.487 ( -1.859 3.500 7.991) 8.920 5.520 ( 0.455 0.166 4.709) 4.734 5.567 ( 3.183 -4.772 3.538) 6.739 5.699 ( 2.949 6.539 -0.899) 7.230 5.774 ( 6.939 0.411 5.474) 8.848 5.854 ( 3.672 1.449 2.417) 4.628 5.916 ( 4.095 -0.777 -1.209) 4.340 5.952 ( 1.759 0.677 -3.222) 3.732 6.047 ( 2.960 -4.634 2.992) 6.260 6.147 ( -0.836 3.373 2.620) 4.352 6.221 ( -0.409 -4.061 3.793) 5.572 6.322 ( 4.061 5.741 5.680) 9.040 6.354 ( 2.054 2.707 6.057) 6.945 6.453 ( 2.654 -0.787 1.183) 3.010 6.500 ( -3.882 -4.688 -3.245) 6.898 6.580 ( -3.419 0.754 2.976) 4.595 6.593 ( -3.929 1.776 0.756) 4.378 6.704 ( -3.534 -0.588 0.426) 3.607 6.753 ( -2.165 -4.778 -3.541) 6.329 6.990 ( 1.552 4.643 -1.712) 5.186 7.044 ( -1.744 0.251 -5.134) 5.428 7.103 ( 1.512 0.227 -0.811) 1.731 7.145 ( 4.160 -1.644 -1.810) 4.826 7.525 ( 5.181 2.244 5.313) 7.753 7.558 ( 3.688 -0.987 5.475) 6.674 7.560 ( -3.492 1.347 4.763) 6.058 7.601 ( -4.698 -2.588 8.905) 10.395 7.975 ( 0.190 5.076 -0.217) 5.084 8.064 ( -0.232 -3.065 -0.365) 3.095 8.177 ( 0.075 -0.676 5.460) 5.502 8.213 ( -1.145 -3.286 6.024) 6.957 9.283 ( -0.887 2.619 0.639) 2.838 9.332 ( -0.611 -2.497 0.022) 2.571 9.573 ( -1.123 2.623 -1.326) 3.147 9.623 ( -0.628 -2.751 -1.942) 3.425 9.793 ( -0.056 1.418 -4.473) 4.693 9.822 ( -1.124 -1.577 -3.914) 4.367 9.979 ( 1.379 0.973 -5.605) 5.854 9.990 ( 3.408 -0.262 -4.923) 5.993 10.247 ( 1.228 3.544 -3.587) 5.190 10.299 ( 2.068 -2.044 -3.064) 4.224 10.465 ( -1.233 0.709 4.544) 4.761 10.483 ( -2.235 -0.916 2.225) 3.284 10.816 ( -1.037 -0.412 4.301) 4.443 10.823 ( -1.146 -1.032 5.699) 5.904 10.980 ( 3.711 3.318 5.303) 7.274 11.046 ( 5.125 -3.785 1.961) 6.666 11.544 ( -2.029 0.670 1.266) 2.483 11.573 ( -0.983 -2.325 2.383) 3.471 12.204 ( -1.481 0.469 -5.551) 5.764 12.219 ( -0.417 -1.097 -5.662) 5.782 12.311 ( -2.827 2.186 -1.673) 3.946 12.359 ( -3.501 -3.009 -0.837) 4.692 12.455 ( 1.114 3.004 -4.874) 5.833 12.506 ( 0.759 -2.234 -4.873) 5.414 12.698 ( 0.062 2.001 -1.439) 2.465 12.736 ( 0.303 -1.972 -2.537) 3.228 12.892 ( 3.520 3.277 0.968) 4.906 12.934 ( 0.499 -0.701 0.665) 1.087 13.058 ( -0.951 -0.272 1.568) 1.854 13.079 ( -0.488 -2.458 1.252) 2.801 13.145 ( -1.390 0.519 -1.442) 2.069 13.157 ( -1.565 -0.816 -1.474) 2.300 13.396 ( 1.199 1.256 0.464) 1.798 13.403 ( 0.158 0.239 0.536) 0.608 13.442 ( 0.940 1.572 2.554) 3.143 13.491 ( 1.550 -3.219 1.095) 3.736 13.897 ( -0.254 1.232 1.829) 2.220 13.904 ( -0.082 1.898 1.504) 2.423 13.944 ( -0.325 0.520 2.852) 2.917 13.995 ( -0.148 -3.462 1.687) 3.854 17.061 ( 0.219 1.114 0.842) 1.414 17.082 ( -0.243 -0.992 0.504) 1.139 17.201 ( -1.502 1.416 0.606) 2.152 17.219 ( -0.352 -0.407 0.884) 1.035 17.281 ( -0.913 -0.188 -0.571) 1.093 17.288 ( -1.090 -1.046 -1.028) 1.827 17.405 ( 1.548 2.935 1.080) 3.489 17.449 ( 0.520 -1.628 -0.044) 1.709 17.546 ( 3.720 1.061 4.774) 6.145 17.570 ( 3.076 -1.414 4.813) 5.885 17.732 ( 0.193 1.576 0.717) 1.743 17.761 ( 0.235 -1.474 0.328) 1.528 17.815 ( -0.702 0.145 -1.458) 1.625 17.820 ( -0.620 -0.400 -1.402) 1.584 17.959 ( 0.002 0.676 -1.465) 1.613 17.968 ( -0.370 -0.333 -1.082) 1.191 18.314 ( -1.155 1.267 0.403) 1.761 18.340 ( -0.940 -1.373 0.480) 1.732 18.480 ( -1.722 1.293 2.636) 3.404 18.505 ( -1.159 -1.032 2.388) 2.848 18.572 ( -1.911 0.624 3.175) 3.758 18.576 ( -0.939 0.451 1.991) 2.247 18.880 ( 1.394 1.128 -3.122) 3.600 18.895 ( 1.549 -0.497 -2.320) 2.834 20.217 ( 1.388 2.851 0.368) 3.192 20.271 ( 3.115 -2.784 1.433) 4.417 20.666 ( -1.337 2.691 -8.807) 9.306 20.730 ( -0.681 -4.088 -7.435) 8.512 21.629 ( -1.867 3.722 -1.168) 4.324 21.708 ( -1.614 -4.623 -1.774) 5.209 21.943 ( -0.792 1.707 -4.972) 5.316 21.971 ( 0.262 -1.275 -6.360) 6.492 22.255 ( -1.350 2.712 2.942) 4.223 22.282 ( 1.523 0.532 3.782) 4.112 22.493 ( -0.526 -2.166 4.466) 4.991 22.510 ( 4.578 -3.239 6.183) 8.347 25.250 ( -4.158 1.144 0.370) 4.328 25.274 ( -3.477 -1.428 -0.239) 3.766 25.507 ( 3.328 1.430 -1.626) 3.971 25.537 ( 4.431 -1.714 -1.907) 5.119 29.199 ( -1.203 1.093 0.284) 1.650 29.208 ( -0.898 0.270 -0.110) 0.945 29.275 ( -0.699 -0.125 0.258) 0.755 29.283 ( 0.493 -0.865 0.086) 1.000 29.471 ( 0.845 1.252 0.048) 1.512 29.492 ( 1.027 -1.037 0.114) 1.464 29.570 ( 0.196 1.369 -0.471) 1.461 29.590 ( -0.448 -0.720 -0.308) 0.902 31.049 ( -0.971 2.941 -2.110) 3.748 31.077 ( 1.862 0.373 -1.501) 2.421 31.245 ( 2.353 -1.594 -4.978) 5.732 31.255 ( -2.820 -2.717 -5.862) 7.049 31.742 ( -2.715 1.865 3.552) 4.844 31.784 ( -4.186 -2.687 3.915) 6.330 32.060 ( -0.858 4.256 5.021) 6.638 32.123 ( 1.692 -2.082 3.860) 4.701 32.238 ( -2.796 2.712 -6.697) 7.747 32.285 ( -2.401 -1.712 -7.583) 8.137 32.518 ( 3.714 6.162 -1.503) 7.349 32.605 ( 3.097 -1.847 -2.588) 4.438 32.911 ( -1.194 1.512 2.447) 3.114 32.983 ( 1.296 -5.149 2.357) 5.810 33.101 ( 0.108 2.317 -0.045) 2.320 33.179 ( -3.021 -4.983 -0.897) 5.896 33.464 ( 1.113 4.332 3.742) 5.831 33.492 ( 0.285 1.203 3.169) 3.401 34.442 ( 4.531 2.733 -1.378) 5.468 34.535 ( 4.518 -6.540 -1.596) 8.107 34.702 ( -4.550 3.707 -8.538) 10.361 34.759 ( -2.865 -2.296 -8.759) 9.497 35.716 ( -0.807 2.712 15.949) 16.198 35.783 ( 1.396 -4.327 14.807) 15.489 106.323 ( 0.361 0.879 0.375) 1.022 106.339 ( 0.425 -0.728 0.062) 0.845 106.372 ( -0.049 0.714 0.362) 0.802 106.385 ( -0.077 -0.690 0.053) 0.696 108.422 ( -0.006 0.636 -0.055) 0.638 108.431 ( 0.302 -0.251 -0.086) 0.402 108.468 ( 0.093 0.446 0.461) 0.648 108.480 ( -0.357 -0.747 0.388) 0.914 ======================= Grid point 69 (40/84) ======================= q-point: (-0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -16.296 13.034 -2.435) 21.009 1.767 ( -8.356 9.496 -14.844) 19.502 1.941 ( -14.006 -4.607 -11.422) 18.651 2.080 ( -6.773 -13.669 -12.570) 19.766 2.397 ( -9.940 1.044 -1.705) 10.139 2.440 ( -8.022 -2.725 1.652) 8.632 2.665 ( 5.428 0.950 -10.389) 11.760 2.697 ( 5.398 -0.996 -8.595) 10.198 2.729 ( 4.293 2.910 -4.407) 6.806 2.819 ( 0.008 -6.248 -5.027) 8.019 3.015 ( 2.784 3.322 0.619) 4.378 3.066 ( 0.798 3.337 1.039) 3.585 3.071 ( 0.938 5.167 -2.971) 6.034 3.150 ( -1.309 2.203 1.279) 2.864 3.278 ( 6.002 5.023 1.255) 7.926 3.391 ( -11.095 14.473 -8.118) 19.961 3.429 ( 9.251 -6.109 -2.498) 11.365 3.581 ( 3.837 6.011 -3.496) 7.942 3.685 ( 3.976 0.840 0.478) 4.092 3.702 ( -16.689 -8.328 3.340) 18.948 3.762 ( 6.265 -6.720 -5.012) 10.466 3.809 ( -2.829 -8.228 -1.793) 8.884 3.931 ( -4.768 -2.439 -5.792) 7.889 3.960 ( 2.985 3.395 3.397) 5.654 4.111 ( -2.850 -3.026 -1.282) 4.350 4.169 ( -2.694 -5.672 -1.495) 6.455 4.274 ( 2.627 4.492 2.487) 5.767 4.386 ( -0.820 -4.850 2.774) 5.647 4.487 ( 5.303 5.046 -1.496) 7.472 4.579 ( 1.849 -4.027 -1.098) 4.565 4.778 ( -1.177 6.073 1.607) 6.391 4.800 ( 2.158 4.166 -3.190) 5.673 4.876 ( -5.540 -2.016 0.929) 5.968 4.910 ( -2.254 -6.601 -0.624) 7.003 4.977 ( 0.420 2.671 0.179) 2.710 5.034 ( -1.417 -2.972 -2.327) 4.032 5.110 ( -1.609 -1.905 -1.251) 2.790 5.133 ( 0.380 -6.112 2.945) 6.795 5.365 ( -3.392 1.181 6.058) 7.043 5.392 ( -5.535 -1.495 5.411) 7.883 5.559 ( 4.584 7.712 2.316) 9.266 5.572 ( 1.556 6.275 2.859) 7.069 5.602 ( 2.833 1.337 5.083) 5.971 5.666 ( 4.616 -1.324 2.506) 5.416 5.738 ( 1.757 4.231 2.606) 5.270 5.867 ( 3.762 -2.434 -5.163) 6.836 5.881 ( 2.973 0.378 1.420) 3.316 5.949 ( 3.089 -1.267 -4.650) 5.724 6.076 ( 5.724 -0.688 4.668) 7.418 6.127 ( -2.113 1.623 6.411) 6.942 6.139 ( -1.259 -2.034 4.823) 5.384 6.231 ( -4.748 -5.645 3.839) 8.315 6.364 ( -1.994 4.555 -3.849) 6.288 6.438 ( 1.209 3.886 3.431) 5.323 6.455 ( 1.821 -2.920 1.531) 3.767 6.506 ( 0.146 -1.811 0.276) 1.838 6.542 ( -1.771 1.412 1.236) 2.581 6.632 ( 0.451 -3.238 1.953) 3.809 6.683 ( 2.836 -0.274 1.478) 3.209 6.727 ( 2.754 -3.072 2.038) 4.602 6.947 ( -2.123 3.364 -3.827) 5.520 6.994 ( -0.366 -0.939 -0.776) 1.272 7.147 ( 3.633 3.935 1.864) 5.671 7.207 ( 6.423 -1.389 -0.409) 6.584 7.553 ( -3.026 1.369 2.216) 3.993 7.579 ( -3.255 -1.697 2.090) 4.224 7.676 ( 2.550 0.417 5.237) 5.840 7.699 ( 3.911 -1.527 4.980) 6.514 7.988 ( 0.993 4.781 1.072) 4.999 8.055 ( 0.006 -1.724 -0.577) 1.818 8.251 ( -2.001 -0.080 8.123) 8.366 8.290 ( -0.578 -3.842 7.114) 8.106 9.283 ( -1.246 2.325 1.697) 3.136 9.324 ( -1.031 -2.011 0.806) 2.399 9.516 ( -2.031 1.920 -3.699) 4.636 9.558 ( -1.466 -2.641 -5.025) 5.863 9.758 ( -0.550 1.114 -1.205) 1.730 9.774 ( -1.859 -0.472 -1.207) 2.266 9.898 ( -0.338 4.110 -7.198) 8.296 9.961 ( 2.614 -2.589 -7.319) 8.192 10.202 ( 0.128 3.285 -4.224) 5.353 10.264 ( 0.957 -3.428 -4.803) 5.977 10.498 ( 0.930 0.518 1.192) 1.599 10.506 ( 2.289 -0.376 1.427) 2.723 10.854 ( -2.407 0.910 6.128) 6.647 10.889 ( -2.295 -2.424 8.233) 8.884 11.117 ( 6.427 3.602 2.537) 7.792 11.178 ( 8.258 -3.060 1.637) 8.958 11.536 ( -2.626 2.967 3.161) 5.069 11.608 ( -0.986 -4.727 5.632) 7.419 12.125 ( -0.391 0.980 -4.014) 4.151 12.147 ( 0.388 -1.390 -4.639) 4.858 12.240 ( -3.241 2.146 -2.246) 4.489 12.291 ( -3.903 -3.156 -1.070) 5.132 12.407 ( 0.750 2.842 -4.357) 5.256 12.450 ( 0.070 -1.712 -4.095) 4.439 12.683 ( 0.235 1.530 -1.448) 2.120 12.715 ( 0.586 -1.907 -1.732) 2.642 12.923 ( -1.517 1.999 -0.426) 2.545 12.940 ( 0.810 0.755 0.447) 1.194 13.056 ( -1.069 1.403 0.792) 1.934 13.092 ( -0.778 -0.817 -0.679) 1.316 13.122 ( 0.638 -0.406 0.251) 0.797 13.132 ( 0.847 -2.371 0.491) 2.565 13.421 ( 2.190 0.493 0.410) 2.282 13.431 ( 2.485 -0.366 0.513) 2.564 13.505 ( 3.193 1.726 2.472) 4.392 13.543 ( 3.235 -2.232 1.412) 4.176 13.903 ( -1.896 1.217 1.238) 2.571 13.907 ( -2.015 1.403 1.066) 2.677 13.964 ( -1.855 0.060 2.345) 2.990 13.997 ( -2.294 -2.696 0.960) 3.668 17.069 ( -0.535 1.677 0.683) 1.888 17.091 ( 0.274 -0.421 0.946) 1.071 17.184 ( -1.881 0.655 0.975) 2.218 17.208 ( -2.043 -1.872 0.434) 2.805 17.274 ( 0.643 0.700 0.291) 0.994 17.294 ( 0.848 -1.369 0.540) 1.698 17.431 ( 0.746 1.864 -0.009) 2.008 17.447 ( 0.293 0.087 -0.680) 0.746 17.643 ( 1.657 -0.114 3.301) 3.696 17.652 ( 0.951 -0.988 2.814) 3.131 17.740 ( -1.230 1.166 0.609) 1.801 17.759 ( -1.829 -0.972 -1.673) 2.663 17.774 ( -1.029 0.032 -1.052) 1.472 17.782 ( -1.392 -0.863 -2.040) 2.616 17.927 ( -0.723 1.800 -1.544) 2.480 17.948 ( 0.221 -0.437 -1.717) 1.785 18.311 ( -2.026 1.074 2.700) 3.543 18.336 ( -1.760 -1.454 1.910) 2.977 18.486 ( -1.897 1.265 2.329) 3.259 18.512 ( -1.597 -1.219 1.716) 2.642 18.585 ( -1.851 1.015 2.763) 3.477 18.591 ( -0.844 0.509 1.978) 2.210 18.862 ( 1.972 1.589 -3.057) 3.970 18.888 ( 1.714 -1.103 -2.374) 3.129 20.251 ( 1.352 4.604 1.111) 4.925 20.343 ( 3.243 -4.950 1.796) 6.184 20.522 ( -1.785 2.747 -8.695) 9.291 20.596 ( -2.337 -5.531 -9.606) 11.329 21.587 ( -2.204 3.470 -0.537) 4.146 21.660 ( -1.924 -4.184 -1.426) 4.820 21.889 ( 0.337 1.151 -3.183) 3.402 21.907 ( 0.675 -0.768 -4.591) 4.703 22.239 ( -3.557 2.747 0.881) 4.580 22.303 ( -4.007 -3.587 1.847) 5.686 22.577 ( 4.270 3.679 4.125) 6.985 22.674 ( 6.830 -5.942 5.294) 10.487 25.190 ( -4.376 1.318 0.076) 4.571 25.218 ( -3.385 -1.700 -0.721) 3.856 25.544 ( 4.353 2.443 -1.209) 5.136 25.590 ( 5.820 -2.371 -1.572) 6.478 29.175 ( -2.284 0.490 0.221) 2.346 29.184 ( -2.409 -0.301 0.171) 2.433 29.267 ( -0.989 0.692 0.312) 1.247 29.281 ( -0.778 -0.672 0.091) 1.032 29.494 ( 2.108 1.321 0.011) 2.488 29.514 ( 1.841 -0.656 -0.268) 1.972 29.575 ( 0.816 0.633 -0.161) 1.045 29.584 ( 0.442 -0.252 -0.177) 0.539 31.004 ( -1.105 3.115 -2.116) 3.925 31.063 ( -0.808 -3.082 -2.607) 4.117 31.184 ( 1.537 2.311 -1.862) 3.342 31.239 ( 3.106 -3.471 -2.180) 5.143 31.755 ( -3.205 0.816 4.250) 5.385 31.780 ( -4.491 -1.761 4.469) 6.576 32.036 ( -3.486 3.095 -5.635) 7.314 32.059 ( -2.254 1.403 -3.572) 4.451 32.161 ( -4.063 1.436 -3.116) 5.318 32.219 ( -1.005 -3.515 1.308) 3.883 32.563 ( 3.843 6.433 -1.113) 7.576 32.627 ( 3.961 0.260 -2.872) 4.899 32.928 ( -1.286 2.319 2.085) 3.373 32.962 ( -4.395 -1.033 0.491) 4.542 33.142 ( 1.963 0.189 0.105) 1.975 33.217 ( 9.528 -6.914 4.085) 12.461 33.511 ( -0.630 5.636 3.448) 6.637 33.588 ( 6.008 -2.810 5.571) 8.662 34.353 ( -7.616 0.927 -9.282) 12.042 34.389 ( -6.680 -2.489 -8.561) 11.141 34.680 ( 6.963 7.945 0.325) 10.569 34.810 ( 10.392 -5.878 -0.063) 11.940 35.844 ( -6.358 3.834 11.511) 13.697 35.947 ( -3.476 -7.338 11.889) 14.398 106.337 ( 0.793 0.741 0.320) 1.132 106.347 ( 0.735 -0.395 -0.095) 0.840 106.380 ( 0.321 0.325 0.695) 0.832 106.387 ( 0.208 -0.391 0.131) 0.462 108.420 ( -0.232 1.024 -0.063) 1.052 108.431 ( -0.014 -0.067 -0.282) 0.290 108.477 ( -0.100 -0.358 0.496) 0.620 108.479 ( -0.159 -0.513 0.450) 0.700 ======================= Grid point 70 (41/84) ======================= q-point: (-0.22 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -17.069 17.629 -8.632) 26.012 1.493 ( -14.806 21.838 -1.159) 26.409 1.662 ( -10.736 -14.317 -4.092) 18.357 1.886 ( -6.599 -17.316 -3.291) 18.821 2.232 ( -13.611 12.161 3.050) 18.506 2.362 ( -4.510 -2.396 1.258) 5.259 2.563 ( -2.880 4.076 -10.556) 11.677 2.712 ( 5.727 -6.539 -4.671) 9.867 2.730 ( 4.008 3.468 -4.583) 7.007 2.795 ( 1.000 -5.222 -0.410) 5.333 2.959 ( -4.195 8.937 0.035) 9.873 3.035 ( -2.337 -2.371 1.884) 3.826 3.068 ( 0.713 0.900 -1.007) 1.528 3.203 ( -1.853 -0.014 -2.138) 2.829 3.229 ( -1.644 6.039 -0.243) 6.263 3.349 ( 7.340 6.682 -0.965) 9.973 3.463 ( 0.091 -6.946 -0.835) 6.997 3.501 ( -6.088 -4.419 -0.174) 7.525 3.693 ( 6.579 -6.161 -3.159) 9.551 3.722 ( 2.485 -0.301 -5.425) 5.975 3.746 ( -0.971 -2.244 -1.176) 2.713 3.770 ( 1.604 -3.138 -1.746) 3.933 3.839 ( -2.597 3.001 1.389) 4.204 4.012 ( -2.130 -8.866 2.920) 9.574 4.117 ( 1.494 4.000 6.616) 7.874 4.216 ( 3.744 0.638 3.261) 5.006 4.248 ( -4.404 4.917 -0.206) 6.604 4.385 ( -4.296 -5.538 2.066) 7.307 4.535 ( 3.888 1.978 -5.271) 6.841 4.598 ( 5.587 -2.652 -0.508) 6.205 4.727 ( -1.699 7.035 -2.517) 7.662 4.817 ( -1.677 5.918 2.372) 6.592 4.824 ( -2.271 -2.882 -0.137) 3.672 4.908 ( -0.280 4.235 -2.856) 5.115 4.962 ( -0.261 -6.051 -0.946) 6.130 5.020 ( 3.286 -3.706 -0.254) 4.960 5.097 ( 1.492 1.117 1.048) 2.138 5.190 ( 1.826 -6.879 2.702) 7.613 5.315 ( -9.256 0.791 0.852) 9.329 5.352 ( -7.070 -2.972 3.157) 8.294 5.594 ( -0.737 4.401 -1.272) 4.640 5.639 ( 2.992 7.710 -0.563) 8.289 5.646 ( -1.729 0.982 0.461) 2.042 5.756 ( 0.237 -0.084 1.124) 1.152 5.783 ( 2.314 7.233 3.244) 8.258 5.888 ( 3.833 0.175 -3.989) 5.535 5.921 ( 6.396 -1.453 -1.129) 6.656 5.947 ( 2.559 -4.195 1.623) 5.175 6.081 ( 1.937 -3.269 -1.649) 4.142 6.140 ( -4.370 -5.512 2.397) 7.431 6.232 ( -2.608 -1.173 4.920) 5.690 6.262 ( 0.430 -3.569 3.862) 5.276 6.317 ( -1.943 8.317 0.565) 8.559 6.471 ( -0.965 -5.330 1.501) 5.621 6.493 ( 1.147 0.129 1.138) 1.621 6.504 ( 0.763 0.398 1.825) 2.018 6.554 ( 2.148 0.482 -1.241) 2.527 6.614 ( 1.035 -5.743 -3.071) 6.594 6.765 ( 2.592 2.703 -0.118) 3.747 6.792 ( 0.968 -0.013 -0.678) 1.182 6.909 ( -0.016 3.619 0.619) 3.672 6.974 ( -2.636 -3.085 0.689) 4.116 7.239 ( 7.232 6.989 0.017) 10.057 7.324 ( 11.787 -1.116 -1.303) 11.912 7.538 ( -0.964 0.715 0.684) 1.382 7.560 ( 0.037 -1.401 -0.545) 1.503 7.753 ( 1.905 1.850 2.253) 3.482 7.802 ( 3.708 -3.052 2.741) 5.530 8.024 ( 1.439 3.316 1.430) 3.888 8.049 ( 0.783 0.646 -1.380) 1.713 8.323 ( -2.200 0.255 6.451) 6.820 8.362 ( -2.816 -3.396 7.384) 8.602 9.287 ( -1.485 1.982 1.441) 2.865 9.322 ( -1.196 -1.687 0.853) 2.237 9.440 ( -1.959 1.823 -2.406) 3.599 9.477 ( -1.641 -2.040 -3.016) 3.994 9.714 ( -1.584 1.438 -3.764) 4.329 9.731 ( -0.684 -0.480 -2.530) 2.665 9.824 ( -1.504 3.513 -1.047) 3.963 9.878 ( -1.380 -2.333 -5.226) 5.887 10.162 ( 0.225 2.703 -1.979) 3.357 10.225 ( 1.478 -3.863 -3.563) 5.459 10.531 ( 2.457 1.949 0.232) 3.145 10.568 ( 3.561 -1.948 1.174) 4.225 10.918 ( -0.574 2.944 7.226) 7.824 10.971 ( -0.873 -2.149 7.603) 7.949 11.166 ( 1.951 2.578 -5.560) 6.431 11.221 ( 0.808 -3.920 -6.058) 7.260 11.597 ( 3.725 5.164 5.136) 8.180 11.701 ( 2.370 -6.404 6.654) 9.534 12.090 ( 0.720 1.447 -2.117) 2.663 12.121 ( 1.835 -1.588 -2.415) 3.424 12.179 ( -2.904 3.045 0.381) 4.225 12.241 ( -3.088 -3.325 1.557) 4.797 12.375 ( 0.187 2.366 -1.265) 2.689 12.413 ( -0.792 -1.700 -0.868) 2.066 12.667 ( 0.396 1.730 -1.430) 2.279 12.704 ( 0.830 -2.151 -1.567) 2.788 12.893 ( -1.070 2.499 -1.175) 2.961 12.931 ( -0.951 -1.297 -0.813) 1.802 13.042 ( -1.356 2.142 0.438) 2.573 13.081 ( -0.720 -1.686 0.481) 1.896 13.147 ( 2.006 1.365 1.307) 2.756 13.176 ( 2.018 -1.784 1.041) 2.887 13.470 ( 4.048 0.783 0.224) 4.129 13.486 ( 4.374 -0.919 0.579) 4.507 13.586 ( 4.321 1.031 1.509) 4.692 13.608 ( 3.876 -1.297 0.688) 4.145 13.867 ( -4.181 1.314 -0.015) 4.383 13.878 ( -2.947 0.182 -0.398) 2.980 13.950 ( -3.168 -0.559 0.882) 3.336 13.956 ( -3.712 -1.186 -0.197) 3.902 17.071 ( 0.295 2.384 0.313) 2.422 17.111 ( 0.786 -1.333 0.976) 1.830 17.173 ( -1.293 0.065 0.449) 1.370 17.193 ( -1.267 -1.605 1.024) 2.287 17.292 ( 0.822 0.915 0.507) 1.330 17.311 ( 0.482 -1.127 0.546) 1.342 17.419 ( -0.323 2.360 -1.418) 2.772 17.449 ( 0.224 -0.680 -0.226) 0.750 17.609 ( -6.121 1.140 -6.910) 9.301 17.644 ( -4.437 -2.725 -5.057) 7.258 17.689 ( -1.246 -0.148 0.661) 1.418 17.692 ( -2.146 -0.317 0.045) 2.169 17.765 ( -0.175 0.300 0.606) 0.699 17.771 ( -0.287 -0.279 0.612) 0.731 17.913 ( -0.113 1.542 -0.231) 1.564 17.933 ( 0.125 -0.474 -1.049) 1.157 18.327 ( -3.039 0.172 5.193) 6.020 18.340 ( -2.506 -0.938 3.259) 4.217 18.488 ( -1.505 0.651 1.818) 2.448 18.505 ( -1.309 -1.034 0.563) 1.761 18.584 ( -1.795 1.060 0.772) 2.223 18.594 ( -2.099 0.046 1.633) 2.660 18.860 ( 2.572 1.546 -2.253) 3.753 18.884 ( 1.859 -1.013 -2.059) 2.954 20.242 ( -2.202 2.652 -2.234) 4.108 20.321 ( -3.810 -5.952 -7.501) 10.306 20.449 ( 0.400 2.033 -1.636) 2.640 20.497 ( 1.735 -2.788 0.046) 3.284 21.562 ( -2.001 3.219 1.420) 4.048 21.625 ( -1.628 -3.410 0.110) 3.780 21.868 ( 0.677 0.346 -1.201) 1.422 21.874 ( 0.851 -0.220 -2.104) 2.280 22.188 ( -3.760 1.197 -0.400) 3.966 22.237 ( -6.246 -4.043 -0.159) 7.443 22.686 ( 5.026 6.406 1.629) 8.304 22.815 ( 5.859 -7.078 2.204) 9.449 25.139 ( -3.645 1.477 1.104) 4.085 25.171 ( -3.106 -1.901 0.988) 3.773 25.591 ( 4.113 3.287 -0.998) 5.359 25.650 ( 5.298 -2.976 -1.417) 6.239 29.143 ( -2.239 0.200 -0.187) 2.256 29.152 ( -2.361 -0.798 0.212) 2.501 29.256 ( -0.978 0.904 0.143) 1.339 29.268 ( -1.108 -0.371 0.072) 1.170 29.522 ( 1.777 0.897 -0.159) 1.997 29.532 ( 1.594 -0.066 -0.629) 1.715 29.583 ( 0.652 1.032 0.261) 1.248 29.604 ( 1.230 -1.067 0.733) 1.786 30.974 ( -0.213 1.951 -0.889) 2.155 31.014 ( -1.500 -2.286 -1.534) 3.135 31.223 ( 4.464 2.136 -0.057) 4.949 31.272 ( 3.539 -3.152 -0.326) 4.750 31.739 ( -4.635 0.774 1.691) 4.994 31.758 ( -5.326 -1.152 2.558) 6.019 31.952 ( -3.378 2.124 0.650) 4.043 31.989 ( -3.864 -1.729 0.213) 4.238 32.092 ( -1.774 4.974 -1.053) 5.385 32.188 ( -2.408 -5.142 -1.600) 5.899 32.591 ( 1.925 3.294 -0.404) 3.836 32.620 ( 0.444 0.718 -2.280) 2.431 32.909 ( -2.499 0.765 1.049) 2.816 32.928 ( -2.301 -1.320 0.744) 2.755 33.240 ( 5.456 7.873 2.419) 9.879 33.365 ( 3.331 -4.725 1.237) 5.912 33.594 ( 9.124 11.467 5.580) 15.680 33.804 ( 11.963 -11.145 4.479) 16.952 34.141 ( -1.423 3.104 -8.444) 9.108 34.217 ( -2.325 -4.520 -7.511) 9.070 34.798 ( 6.477 9.051 1.792) 11.273 34.928 ( 6.302 -4.988 -1.179) 8.123 35.830 ( -10.361 4.086 4.671) 12.078 35.959 ( -10.845 -10.380 4.191) 15.586 106.351 ( 0.912 0.424 -0.009) 1.006 106.355 ( 0.712 -0.058 -0.264) 0.762 106.394 ( 0.476 0.161 0.236) 0.555 106.398 ( 0.693 -0.236 0.820) 1.099 108.415 ( -0.205 0.936 -0.215) 0.982 108.425 ( -0.208 -0.154 -0.348) 0.434 108.475 ( -0.254 0.359 -0.021) 0.440 108.489 ( 0.208 -0.977 0.442) 1.092 ======================= Grid point 71 (42/84) ======================= q-point: (-0.11 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -10.545 22.140 9.131) 26.168 1.357 ( -7.199 22.076 5.378) 23.835 1.550 ( -8.367 -12.594 7.595) 16.920 1.806 ( -4.680 -12.794 3.061) 13.963 2.068 ( -16.704 25.772 7.079) 31.518 2.375 ( 2.315 -2.237 3.849) 5.018 2.456 ( -0.853 -4.840 -0.367) 4.928 2.659 ( -5.503 -18.629 -2.266) 19.556 2.726 ( 2.540 2.653 -2.836) 4.640 2.811 ( 3.663 -5.923 -1.536) 7.132 2.957 ( 1.096 5.583 -1.606) 5.912 3.012 ( -1.538 -1.408 0.026) 2.085 3.072 ( 1.861 8.725 -0.360) 8.928 3.193 ( 2.645 1.200 3.028) 4.195 3.267 ( 0.623 -3.229 1.883) 3.790 3.337 ( -6.190 -8.184 1.134) 10.324 3.475 ( 8.082 6.718 0.941) 10.552 3.547 ( -3.332 1.001 -7.535) 8.299 3.595 ( 5.791 -4.220 3.141) 7.824 3.669 ( -3.134 -4.891 -3.097) 6.583 3.781 ( 1.120 0.858 2.421) 2.802 3.810 ( 1.134 0.141 3.251) 3.446 3.879 ( 0.870 2.104 4.523) 5.064 4.023 ( -4.607 -5.609 5.074) 8.856 4.200 ( -0.800 7.083 0.462) 7.143 4.250 ( 2.174 -2.771 8.028) 8.767 4.297 ( -2.172 -4.082 3.450) 5.769 4.337 ( -3.804 -6.191 1.467) 7.412 4.514 ( 4.024 9.575 -4.869) 11.471 4.675 ( 0.820 -0.596 -2.004) 2.246 4.695 ( 3.356 1.759 0.335) 3.804 4.787 ( -0.367 -3.197 0.657) 3.284 4.822 ( -0.818 7.110 0.146) 7.159 4.875 ( 0.550 5.282 -0.892) 5.385 4.919 ( -2.349 1.725 -2.162) 3.629 5.047 ( 3.871 -7.227 -2.102) 8.464 5.137 ( -1.442 0.369 1.177) 1.898 5.230 ( -1.348 -6.737 0.826) 6.920 5.280 ( 0.751 1.464 4.461) 4.755 5.323 ( 0.269 -1.886 3.128) 3.663 5.507 ( -4.931 1.499 -4.597) 6.906 5.549 ( -5.588 -1.668 -4.934) 7.639 5.658 ( 1.046 4.925 -0.152) 5.037 5.709 ( -4.056 0.296 -0.292) 4.077 5.848 ( -0.661 8.487 1.905) 8.723 5.927 ( 3.908 1.884 -0.113) 4.340 5.977 ( 0.457 -0.747 1.775) 1.979 6.026 ( 0.237 -6.553 2.975) 7.201 6.091 ( 0.788 -1.348 -4.091) 4.379 6.127 ( 5.673 0.945 -2.499) 6.271 6.191 ( -3.749 -1.437 -2.831) 4.913 6.277 ( 1.528 -2.330 -1.790) 3.312 6.309 ( -2.024 2.333 0.297) 3.103 6.433 ( -3.816 -8.520 -1.038) 9.393 6.511 ( 2.400 1.800 -3.651) 4.726 6.538 ( 0.390 -0.759 -2.360) 2.510 6.578 ( 5.332 -0.497 -1.205) 5.489 6.610 ( 3.048 -4.049 -0.929) 5.152 6.770 ( -1.772 1.835 2.438) 3.529 6.795 ( 0.209 0.172 1.176) 1.207 6.896 ( -1.001 1.377 -0.669) 1.829 6.927 ( -3.541 -2.563 -0.553) 4.406 7.334 ( 7.712 10.030 -3.933) 13.249 7.416 ( 8.762 2.235 -8.452) 12.377 7.550 ( 1.510 0.047 -0.980) 1.801 7.578 ( 2.178 -1.576 0.169) 2.694 7.797 ( 2.622 3.015 -0.234) 4.002 7.878 ( 4.188 -4.832 0.177) 6.397 8.034 ( 0.628 3.521 -2.680) 4.470 8.059 ( 1.291 1.211 0.909) 1.990 8.314 ( -3.286 0.870 -2.088) 3.990 8.365 ( -6.393 -4.082 0.569) 7.607 9.272 ( -1.310 1.246 -0.140) 1.813 9.299 ( -1.086 -1.553 -1.292) 2.293 9.429 ( -1.406 2.186 4.008) 4.777 9.469 ( -1.427 -2.200 4.864) 5.526 9.672 ( 1.383 0.944 -0.899) 1.900 9.689 ( 1.120 -0.717 -2.424) 2.764 9.821 ( -1.991 1.840 2.987) 4.034 9.847 ( -1.401 -1.059 5.169) 5.459 10.160 ( 0.517 2.012 1.033) 2.321 10.223 ( 2.674 -4.389 -1.005) 5.237 10.565 ( 1.746 2.805 -0.009) 3.304 10.620 ( 2.143 -3.077 0.112) 3.751 10.963 ( -2.549 2.831 -4.696) 6.047 11.020 ( -2.743 -3.088 -5.401) 6.799 11.061 ( 1.720 5.627 -0.379) 5.896 11.169 ( 0.180 -5.868 3.023) 6.604 11.692 ( 5.034 4.792 -3.022) 7.578 11.778 ( 1.966 -4.998 -2.199) 5.804 12.085 ( 0.497 1.576 0.078) 1.654 12.117 ( 0.948 -1.643 -0.571) 1.981 12.184 ( -1.747 3.212 4.375) 5.701 12.244 ( -2.236 -3.001 4.122) 5.568 12.378 ( -0.705 1.436 1.746) 2.368 12.405 ( -1.533 -1.347 2.233) 3.024 12.664 ( 1.030 1.812 -0.454) 2.133 12.701 ( 1.363 -2.095 -1.210) 2.777 12.863 ( -0.006 2.676 -2.285) 3.519 12.904 ( -0.263 -1.593 -1.864) 2.466 13.037 ( -1.244 2.276 1.318) 2.910 13.083 ( -1.078 -2.464 1.670) 3.166 13.184 ( 1.386 1.175 -0.237) 1.832 13.204 ( 0.916 -0.996 -0.240) 1.374 13.531 ( 4.155 1.515 -0.311) 4.433 13.554 ( 3.991 -0.841 -0.120) 4.080 13.654 ( 3.859 0.085 -0.683) 3.920 13.661 ( 3.124 -0.644 -0.340) 3.207 13.797 ( -4.263 0.714 -0.840) 4.403 13.815 ( -3.451 -1.097 -1.665) 3.986 13.895 ( -2.913 0.847 -1.067) 3.216 13.912 ( -2.652 -0.915 -0.576) 2.864 17.097 ( 2.566 2.184 0.692) 3.439 17.141 ( 2.277 -2.462 0.182) 3.359 17.153 ( -1.534 1.442 -0.723) 2.226 17.184 ( -1.305 -1.803 -0.420) 2.265 17.306 ( -0.046 0.750 0.456) 0.879 17.317 ( -0.894 -0.484 0.358) 1.078 17.389 ( -1.209 2.399 -2.249) 3.503 17.427 ( -2.189 -1.670 -2.885) 3.988 17.453 ( -2.215 1.197 -2.438) 3.505 17.482 ( -3.199 -1.739 -3.661) 5.163 17.671 ( -1.295 0.469 -0.125) 1.383 17.682 ( -1.376 -0.712 0.651) 1.680 17.775 ( -0.220 0.478 0.892) 1.036 17.780 ( 0.249 -0.141 0.839) 0.886 17.905 ( -0.543 0.952 -0.461) 1.189 17.919 ( -0.579 -0.416 -0.833) 1.097 18.344 ( -2.669 -0.075 3.203) 4.170 18.351 ( -4.145 -1.190 5.487) 6.979 18.491 ( -1.129 0.040 1.335) 1.749 18.497 ( -0.392 -0.563 0.610) 0.919 18.558 ( -1.434 0.931 -0.739) 1.862 18.576 ( -2.586 -1.014 0.913) 2.924 18.872 ( 2.206 1.165 -1.513) 2.918 18.890 ( 2.068 -0.737 -1.275) 2.538 20.177 ( -2.150 0.315 -2.352) 3.202 20.194 ( -0.812 -1.542 0.106) 1.746 20.473 ( 0.471 4.264 2.494) 4.962 20.545 ( 0.369 -3.473 2.747) 4.444 21.564 ( -2.094 2.799 2.943) 4.569 21.617 ( -1.270 -2.757 1.621) 3.441 21.876 ( 1.006 0.447 0.795) 1.358 21.886 ( 0.692 -0.705 2.296) 2.499 22.129 ( -3.615 0.447 -0.498) 3.676 22.158 ( -2.754 -2.415 -0.654) 3.720 22.741 ( 3.020 7.531 -2.259) 8.423 22.883 ( 3.054 -7.490 -1.700) 8.265 25.122 ( -2.539 1.973 3.070) 4.446 25.169 ( -2.339 -3.309 4.910) 6.366 25.628 ( 2.722 3.769 -0.951) 4.745 25.696 ( 3.577 -3.465 -1.331) 5.155 29.112 ( -1.562 0.224 -0.333) 1.613 29.124 ( -1.383 -1.107 -0.351) 1.805 29.244 ( -0.533 0.946 -0.368) 1.146 29.254 ( -0.763 -0.097 -0.274) 0.816 29.538 ( 1.021 0.585 -0.156) 1.187 29.545 ( 1.098 -0.061 -0.343) 1.152 29.600 ( 0.420 1.210 1.016) 1.635 29.627 ( 0.410 -1.426 0.851) 1.711 30.973 ( 0.500 0.596 0.316) 0.840 30.988 ( -0.835 -0.938 -0.034) 1.256 31.283 ( 3.837 1.283 -0.687) 4.104 31.316 ( 2.810 -2.230 -0.563) 3.631 31.686 ( -5.072 1.821 1.007) 5.483 31.719 ( -3.679 -1.734 2.041) 4.551 31.925 ( -3.784 0.933 3.160) 5.018 31.943 ( -4.928 -0.951 2.278) 5.512 32.098 ( 0.052 2.677 3.018) 4.035 32.160 ( -0.800 -4.097 2.451) 4.841 32.589 ( 0.373 3.860 -0.934) 3.989 32.632 ( 0.725 -0.756 1.554) 1.874 32.894 ( -1.416 1.109 0.550) 1.881 32.916 ( -0.843 -1.253 0.607) 1.627 33.288 ( -0.369 4.871 0.751) 4.943 33.348 ( -2.230 -0.895 -1.252) 2.709 33.826 ( -0.015 2.429 -9.314) 9.625 33.878 ( 12.020 -2.120 2.012) 12.370 34.158 ( 9.375 3.291 -1.549) 10.055 34.269 ( 17.173 -6.302 -1.976) 18.399 34.894 ( 3.713 4.965 2.415) 6.654 34.943 ( -0.691 -0.403 -1.535) 1.731 35.689 ( -10.028 0.814 -3.259) 10.576 35.744 ( -15.916 -5.704 -5.517) 17.785 106.359 ( 0.635 0.269 -0.385) 0.790 106.363 ( 0.645 -0.091 -0.076) 0.656 106.402 ( 0.302 0.530 -0.123) 0.622 106.412 ( 0.250 -0.548 -0.143) 0.620 108.412 ( 0.229 0.358 -0.250) 0.493 108.417 ( -0.207 -0.217 -0.397) 0.497 108.469 ( -0.027 1.337 -0.508) 1.430 108.493 ( 0.034 -1.142 -0.164) 1.154 ======================= Grid point 90 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -3.642 0.000 26.336) 26.587 1.215 ( -1.781 0.000 28.422) 28.478 1.900 ( -0.255 0.000 -5.479) 5.485 2.021 ( -2.222 0.000 19.853) 19.977 2.480 ( -2.299 0.000 7.466) 7.811 2.508 ( 3.920 0.000 -5.941) 7.118 2.614 ( 1.807 0.000 3.185) 3.662 2.724 ( 3.623 0.000 -0.009) 3.623 2.726 ( 3.012 0.000 5.877) 6.604 2.983 ( -2.717 0.000 7.725) 8.189 3.061 ( -5.683 0.000 -14.283) 15.372 3.101 ( 9.751 0.000 -3.686) 10.424 3.300 ( -7.726 0.000 3.275) 8.391 3.370 ( 7.310 0.000 4.047) 8.356 3.447 ( -0.934 0.000 10.973) 11.013 3.460 ( -3.863 0.000 11.842) 12.457 3.515 ( 1.665 0.000 19.066) 19.139 3.553 ( 2.669 0.000 2.974) 3.996 3.604 ( -0.659 0.000 12.274) 12.291 3.855 ( 2.166 0.000 6.297) 6.659 3.887 ( 1.929 0.000 -7.062) 7.320 4.025 ( -6.818 0.000 0.496) 6.836 4.063 ( 5.929 0.000 5.882) 8.352 4.163 ( 2.805 0.000 -4.501) 5.303 4.227 ( -0.831 0.000 -5.248) 5.314 4.250 ( -6.960 0.000 -0.265) 6.965 4.367 ( 0.714 0.000 -1.995) 2.119 4.379 ( 2.566 0.000 -9.018) 9.376 4.477 ( 5.636 0.000 -5.310) 7.744 4.589 ( -1.636 0.000 -2.623) 3.092 4.691 ( 3.129 0.000 4.871) 5.789 4.717 ( 0.066 0.000 8.820) 8.820 4.808 ( -0.505 0.000 -5.258) 5.282 4.874 ( -6.989 0.000 5.445) 8.859 4.941 ( -6.385 0.000 2.647) 6.912 5.005 ( 1.019 0.000 -9.372) 9.427 5.083 ( 6.916 0.000 -2.524) 7.363 5.124 ( 4.813 0.000 -1.385) 5.008 5.260 ( -2.865 0.000 -9.761) 10.173 5.287 ( -2.791 0.000 6.020) 6.635 5.342 ( -0.212 0.000 -3.974) 3.980 5.411 ( -9.544 0.000 -5.776) 11.156 5.593 ( -0.754 0.000 -2.890) 2.987 5.689 ( 3.508 0.000 -4.386) 5.616 5.750 ( 0.875 0.000 -1.957) 2.144 5.788 ( 1.116 0.000 -12.903) 12.951 5.929 ( 2.580 0.000 4.580) 5.257 5.973 ( -0.673 0.000 -2.929) 3.005 6.019 ( 11.978 0.000 3.363) 12.441 6.075 ( -3.156 0.000 -8.094) 8.688 6.096 ( -6.165 0.000 0.824) 6.220 6.265 ( -4.255 0.000 -6.943) 8.143 6.328 ( -5.996 0.000 8.337) 10.269 6.449 ( 2.072 0.000 3.093) 3.723 6.536 ( 3.053 0.000 -0.073) 3.054 6.542 ( 2.991 0.000 -0.302) 3.007 6.637 ( 0.572 0.000 -3.749) 3.793 6.689 ( -0.120 0.000 -7.023) 7.024 6.760 ( 2.094 0.000 -0.241) 2.108 6.769 ( -1.380 0.000 -2.284) 2.668 6.813 ( 2.650 0.000 -1.149) 2.888 6.867 ( -1.318 0.000 -2.338) 2.684 6.987 ( 0.955 0.000 1.634) 1.892 7.015 ( 6.071 0.000 2.329) 6.502 7.508 ( 1.582 0.000 -1.202) 1.987 7.602 ( -1.583 0.000 -4.456) 4.729 7.614 ( -3.997 0.000 0.957) 4.110 7.736 ( 1.313 0.000 -4.557) 4.742 7.935 ( -7.623 0.000 -0.254) 7.628 8.118 ( 0.425 0.000 0.400) 0.584 8.130 ( -0.907 0.000 -5.981) 6.049 8.148 ( -0.085 0.000 0.229) 0.244 9.231 ( -2.437 0.000 0.443) 2.477 9.284 ( 1.970 0.000 -1.417) 2.427 9.497 ( -1.615 0.000 1.937) 2.522 9.585 ( 2.355 0.000 -1.937) 3.050 9.774 ( 0.635 0.000 9.953) 9.973 9.849 ( 1.482 0.000 6.524) 6.690 9.895 ( -3.302 0.000 5.001) 5.993 10.033 ( 3.131 0.000 -0.901) 3.258 10.352 ( 2.045 0.000 -5.595) 5.957 10.368 ( 5.615 0.000 2.346) 6.085 10.466 ( 1.585 0.000 -10.101) 10.225 10.630 ( -11.013 0.000 -7.129) 13.119 10.728 ( 0.367 0.000 -1.407) 1.454 10.982 ( -3.787 0.000 -14.455) 14.943 11.009 ( -5.284 0.000 3.508) 6.342 11.107 ( 15.987 0.000 -0.571) 15.997 11.561 ( -2.452 0.000 5.909) 6.397 11.698 ( -3.945 0.000 -1.121) 4.101 12.174 ( -2.840 0.000 5.153) 5.884 12.230 ( 0.533 0.000 4.503) 4.534 12.280 ( 1.907 0.000 4.028) 4.456 12.300 ( -0.419 0.000 -0.731) 0.843 12.490 ( -5.725 0.000 4.565) 7.323 12.545 ( 0.902 0.000 3.591) 3.702 12.676 ( -2.607 0.000 -1.451) 2.984 12.758 ( 6.225 0.000 -0.325) 6.233 12.761 ( 1.092 0.000 4.069) 4.213 12.799 ( 1.615 0.000 -2.188) 2.719 13.044 ( 0.424 0.000 1.916) 1.962 13.107 ( -1.553 0.000 -0.557) 1.650 13.185 ( -2.189 0.000 -0.206) 2.198 13.202 ( 0.822 0.000 -2.529) 2.660 13.491 ( 2.744 0.000 -1.069) 2.945 13.523 ( -1.986 0.000 -1.896) 2.746 13.618 ( -4.420 0.000 -1.460) 4.655 13.634 ( 1.848 0.000 -1.620) 2.457 13.704 ( -2.824 0.000 -1.180) 3.061 13.761 ( 2.966 0.000 -3.135) 4.316 13.860 ( 4.241 0.000 0.061) 4.241 13.869 ( -2.188 0.000 -0.856) 2.349 17.093 ( -0.509 0.000 -0.048) 0.511 17.112 ( -0.676 0.000 -1.442) 1.592 17.179 ( -1.422 0.000 -0.087) 1.424 17.239 ( 0.048 0.000 -2.075) 2.076 17.273 ( -2.099 0.000 0.035) 2.099 17.279 ( 1.150 0.000 -0.154) 1.160 17.379 ( 2.253 0.000 2.631) 3.464 17.447 ( 5.143 0.000 2.308) 5.637 17.449 ( -1.172 0.000 -0.920) 1.490 17.586 ( -1.990 0.000 -3.187) 3.757 17.592 ( 10.451 0.000 2.849) 10.832 17.669 ( -2.604 0.000 -0.533) 2.658 17.803 ( -1.155 0.000 2.250) 2.529 17.834 ( 2.319 0.000 0.745) 2.436 17.859 ( -1.484 0.000 -0.452) 1.551 17.882 ( -1.808 0.000 -1.148) 2.142 18.353 ( -2.694 0.000 0.006) 2.694 18.385 ( -3.964 0.000 0.586) 4.007 18.405 ( 1.322 0.000 -2.634) 2.947 18.468 ( 2.436 0.000 -3.243) 4.056 18.592 ( -4.777 0.000 3.722) 6.056 18.742 ( -6.743 0.000 3.874) 7.776 18.769 ( 5.193 0.000 -4.108) 6.621 18.872 ( 2.701 0.000 -1.657) 3.169 20.364 ( -7.811 0.000 4.212) 8.875 20.462 ( 18.878 0.000 -0.553) 18.886 20.508 ( 5.262 0.000 4.624) 7.005 20.609 ( -5.629 0.000 -0.417) 5.644 21.588 ( -4.646 0.000 4.224) 6.279 21.686 ( 3.263 0.000 -0.228) 3.271 21.968 ( 3.465 0.000 3.521) 4.940 22.088 ( -7.647 0.000 -1.459) 7.785 22.160 ( 2.558 0.000 0.353) 2.583 22.268 ( -0.150 0.000 -4.287) 4.289 22.388 ( 3.205 0.000 9.027) 9.579 22.838 ( -2.334 0.000 -10.170) 10.435 25.201 ( -2.459 0.000 5.947) 6.436 25.447 ( 1.909 0.000 -4.875) 5.235 25.698 ( -3.830 0.000 1.670) 4.178 25.767 ( 2.636 0.000 -1.430) 2.999 29.110 ( -1.921 0.000 0.082) 1.923 29.117 ( 0.909 0.000 -0.208) 0.933 29.166 ( 0.307 0.000 0.381) 0.489 29.200 ( 0.315 0.000 -1.159) 1.201 29.525 ( 0.336 0.000 0.966) 1.023 29.560 ( -0.560 0.000 -0.703) 0.899 29.605 ( 0.077 0.000 1.828) 1.830 29.658 ( -0.978 0.000 -0.268) 1.014 31.020 ( -2.441 0.000 3.229) 4.048 31.061 ( 4.547 0.000 3.289) 5.612 31.194 ( 1.174 0.000 -4.608) 4.755 31.270 ( -7.149 0.000 -6.391) 9.589 31.725 ( -2.392 0.000 5.526) 6.022 31.828 ( 4.242 0.000 2.393) 4.871 31.957 ( -5.751 0.000 8.212) 10.025 32.139 ( 2.122 0.000 4.159) 4.669 32.202 ( 4.290 0.000 1.548) 4.561 32.227 ( -2.442 0.000 4.083) 4.758 32.355 ( -0.948 0.000 5.506) 5.587 32.761 ( -3.806 0.000 -8.718) 9.513 32.838 ( -1.430 0.000 -2.194) 2.619 32.874 ( 1.290 0.000 -2.272) 2.612 33.047 ( 1.696 0.000 1.290) 2.131 33.109 ( -0.813 0.000 -2.028) 2.185 33.661 ( 6.523 0.000 9.176) 11.258 34.023 ( -7.799 0.000 -0.858) 7.846 34.138 ( 13.158 0.000 -11.376) 17.394 34.289 ( -19.099 0.000 -13.589) 23.440 34.685 ( 3.395 0.000 9.668) 10.247 35.015 ( 8.494 0.000 -3.661) 9.249 35.490 ( -7.855 0.000 -1.909) 8.084 35.555 ( 7.482 0.000 -2.736) 7.966 106.333 ( -0.501 0.000 -0.173) 0.530 106.338 ( 0.460 0.000 -0.474) 0.660 106.392 ( -0.800 0.000 0.387) 0.888 106.398 ( 0.414 0.000 0.056) 0.417 108.380 ( -0.177 0.000 0.787) 0.806 108.413 ( 0.951 0.000 -0.675) 1.166 108.441 ( 0.570 0.000 0.679) 0.887 108.484 ( -0.510 0.000 -1.236) 1.337 ======================= Grid point 91 (44/84) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 12.761 0.000 22.155) 25.567 1.594 ( 3.600 0.000 26.393) 26.637 1.847 ( 11.423 0.000 -13.896) 17.988 1.964 ( 2.355 0.000 -18.157) 18.309 2.490 ( -7.330 0.000 6.073) 9.519 2.525 ( 2.082 0.000 -4.592) 5.042 2.644 ( 0.608 0.000 -0.995) 1.167 2.810 ( -5.742 0.000 -9.499) 11.100 2.826 ( 3.588 0.000 8.258) 9.003 2.971 ( -4.610 0.000 1.929) 4.997 3.026 ( 8.967 0.000 16.907) 19.138 3.171 ( 11.883 0.000 -6.673) 13.628 3.273 ( -2.593 0.000 3.657) 4.483 3.494 ( 4.483 0.000 0.788) 4.552 3.546 ( -3.255 0.000 2.837) 4.318 3.593 ( -2.104 0.000 12.466) 12.642 3.624 ( -2.592 0.000 7.555) 7.987 3.756 ( -1.577 0.000 16.993) 17.066 3.791 ( -1.607 0.000 -6.918) 7.102 3.843 ( 4.938 0.000 2.083) 5.360 3.892 ( -4.920 0.000 11.133) 12.171 3.945 ( -3.974 0.000 3.354) 5.200 3.992 ( -12.305 0.000 -3.791) 12.876 4.033 ( 3.784 0.000 -20.789) 21.130 4.141 ( 1.919 0.000 -2.613) 3.242 4.201 ( -3.372 0.000 -2.844) 4.411 4.301 ( -4.416 0.000 -8.034) 9.168 4.362 ( 3.862 0.000 4.345) 5.814 4.451 ( 3.487 0.000 -10.821) 11.369 4.639 ( 16.068 0.000 -3.215) 16.386 4.669 ( -4.966 0.000 4.658) 6.809 4.789 ( -9.032 0.000 0.515) 9.047 4.816 ( 4.412 0.000 0.621) 4.455 4.817 ( -0.219 0.000 1.336) 1.354 4.886 ( 2.613 0.000 0.301) 2.631 5.041 ( 2.173 0.000 -0.781) 2.309 5.116 ( -4.983 0.000 -2.691) 5.663 5.142 ( -1.380 0.000 -6.960) 7.096 5.193 ( -1.463 0.000 2.342) 2.761 5.255 ( 6.524 0.000 6.712) 9.361 5.314 ( -5.096 0.000 2.796) 5.813 5.350 ( 1.665 0.000 5.840) 6.073 5.568 ( 3.426 0.000 -6.724) 7.547 5.636 ( 7.335 0.000 -9.430) 11.947 5.748 ( 1.167 0.000 -1.164) 1.648 5.751 ( 0.297 0.000 -1.275) 1.309 5.848 ( -6.664 0.000 -0.477) 6.681 5.905 ( -8.517 0.000 -2.483) 8.871 5.963 ( -9.696 0.000 -0.590) 9.714 6.013 ( -1.948 0.000 0.051) 1.949 6.129 ( -2.828 0.000 -1.413) 3.161 6.216 ( 7.073 0.000 2.551) 7.519 6.391 ( -1.416 0.000 6.092) 6.254 6.512 ( -3.216 0.000 -5.032) 5.972 6.531 ( 0.668 0.000 4.490) 4.540 6.557 ( 1.401 0.000 0.335) 1.440 6.572 ( -1.635 0.000 -3.954) 4.278 6.613 ( 0.150 0.000 -1.934) 1.940 6.749 ( 0.810 0.000 -1.638) 1.828 6.763 ( -0.675 0.000 -0.363) 0.767 6.796 ( -0.200 0.000 -5.504) 5.508 6.875 ( 4.507 0.000 -0.063) 4.508 7.030 ( 2.042 0.000 0.781) 2.186 7.090 ( 5.872 0.000 -3.766) 6.976 7.521 ( -2.120 0.000 -4.007) 4.533 7.521 ( -0.246 0.000 1.566) 1.585 7.567 ( -5.700 0.000 4.304) 7.143 7.692 ( -1.235 0.000 -3.019) 3.261 7.893 ( -2.239 0.000 4.630) 5.143 8.070 ( 1.315 0.000 -3.502) 3.740 8.118 ( -0.014 0.000 -0.360) 0.361 8.170 ( 1.068 0.000 1.141) 1.563 9.217 ( -1.186 0.000 1.268) 1.736 9.300 ( 2.786 0.000 -1.343) 3.092 9.505 ( -0.614 0.000 1.735) 1.840 9.591 ( 2.636 0.000 -2.591) 3.696 9.887 ( -0.829 0.000 7.837) 7.881 9.900 ( -2.258 0.000 1.598) 2.766 9.964 ( 3.634 0.000 4.570) 5.839 10.055 ( 2.983 0.000 -3.402) 4.525 10.298 ( -0.422 0.000 -2.440) 2.476 10.327 ( -1.453 0.000 -6.871) 7.023 10.391 ( -10.332 0.000 -6.003) 11.949 10.547 ( 6.958 0.000 6.147) 9.284 10.738 ( 0.671 0.000 2.635) 2.719 10.795 ( -1.338 0.000 -8.152) 8.261 10.937 ( -8.225 0.000 0.191) 8.228 11.221 ( 6.282 0.000 -5.383) 8.273 11.598 ( -2.054 0.000 4.837) 5.255 11.661 ( -2.063 0.000 1.014) 2.299 12.213 ( -0.094 0.000 4.239) 4.240 12.281 ( 0.880 0.000 1.352) 1.613 12.326 ( 3.750 0.000 0.938) 3.866 12.338 ( 1.818 0.000 -0.039) 1.818 12.480 ( -2.766 0.000 3.957) 4.828 12.608 ( 2.553 0.000 1.124) 2.790 12.619 ( -4.164 0.000 0.600) 4.207 12.767 ( 1.879 0.000 -3.178) 3.692 12.811 ( 2.250 0.000 0.330) 2.274 12.867 ( 4.673 0.000 0.344) 4.686 13.074 ( -2.043 0.000 -0.421) 2.086 13.084 ( 0.931 0.000 2.179) 2.370 13.139 ( -1.990 0.000 -1.130) 2.288 13.190 ( 1.233 0.000 -1.220) 1.734 13.454 ( -3.875 0.000 -1.711) 4.236 13.496 ( -1.453 0.000 0.218) 1.470 13.544 ( -4.912 0.000 0.979) 5.008 13.642 ( 0.393 0.000 -0.145) 0.419 13.684 ( 0.983 0.000 -0.066) 0.985 13.770 ( 2.944 0.000 -2.230) 3.693 13.842 ( 0.319 0.000 -1.054) 1.101 13.918 ( 4.402 0.000 -0.733) 4.462 17.087 ( -1.166 0.000 0.188) 1.181 17.090 ( -0.196 0.000 0.255) 0.322 17.167 ( -1.565 0.000 1.277) 2.020 17.212 ( -0.115 0.000 -1.061) 1.067 17.259 ( -0.450 0.000 -0.280) 0.531 17.297 ( 1.310 0.000 0.452) 1.386 17.418 ( -1.553 0.000 -1.039) 1.868 17.432 ( 1.993 0.000 1.560) 2.531 17.503 ( -1.584 0.000 -4.970) 5.217 17.562 ( 5.529 0.000 1.745) 5.798 17.587 ( -5.031 0.000 -4.072) 6.472 17.717 ( 4.648 0.000 -0.222) 4.653 17.830 ( -1.269 0.000 -0.518) 1.371 17.836 ( 1.550 0.000 2.935) 3.319 17.855 ( -0.216 0.000 -0.813) 0.841 17.887 ( 3.595 0.000 0.672) 3.657 18.320 ( -1.906 0.000 1.136) 2.219 18.368 ( -1.427 0.000 1.439) 2.027 18.406 ( 1.998 0.000 -1.106) 2.284 18.470 ( 2.984 0.000 -2.007) 3.596 18.569 ( -4.891 0.000 3.432) 5.975 18.708 ( -6.542 0.000 5.130) 8.313 18.789 ( 4.903 0.000 -3.800) 6.204 18.885 ( 2.164 0.000 -1.859) 2.853 20.277 ( -8.193 0.000 0.573) 8.213 20.508 ( -6.464 0.000 -1.690) 6.682 20.623 ( 7.392 0.000 -0.461) 7.407 20.669 ( 11.276 0.000 -0.919) 11.313 21.587 ( -2.294 0.000 3.124) 3.876 21.744 ( 5.514 0.000 -0.267) 5.520 21.970 ( -6.120 0.000 -0.977) 6.197 22.074 ( 3.849 0.000 4.625) 6.017 22.198 ( 1.458 0.000 0.602) 1.577 22.204 ( -0.918 0.000 -4.177) 4.276 22.547 ( 0.804 0.000 10.257) 10.289 22.637 ( -5.765 0.000 -11.769) 13.105 25.247 ( -2.073 0.000 6.002) 6.350 25.408 ( 2.039 0.000 -5.192) 5.578 25.638 ( -7.878 0.000 2.862) 8.382 25.759 ( -1.145 0.000 -1.610) 1.976 29.105 ( 0.646 0.000 0.005) 0.646 29.135 ( 1.501 0.000 0.271) 1.525 29.184 ( 1.463 0.000 0.421) 1.523 29.199 ( 1.902 0.000 -1.113) 2.203 29.537 ( -1.491 0.000 -0.555) 1.591 29.538 ( -0.200 0.000 0.806) 0.831 29.628 ( -0.337 0.000 1.935) 1.964 29.633 ( -1.662 0.000 -0.664) 1.790 31.034 ( -2.055 0.000 3.682) 4.217 31.095 ( -4.074 0.000 -3.434) 5.328 31.201 ( 4.007 0.000 -6.196) 7.379 31.205 ( 7.703 0.000 6.222) 9.902 31.733 ( -4.064 0.000 3.621) 5.443 31.895 ( 3.619 0.000 -2.163) 4.216 31.994 ( -4.696 0.000 8.571) 9.773 32.147 ( 1.103 0.000 -1.115) 1.568 32.212 ( -3.491 0.000 0.023) 3.491 32.329 ( 4.026 0.000 0.021) 4.026 32.468 ( 2.332 0.000 12.399) 12.616 32.595 ( -2.105 0.000 -8.889) 9.135 32.809 ( -0.951 0.000 0.110) 0.957 32.874 ( 2.959 0.000 -1.138) 3.170 33.100 ( 2.626 0.000 -1.781) 3.173 33.113 ( 5.019 0.000 0.405) 5.035 33.637 ( -15.165 0.000 6.292) 16.419 33.794 ( -20.135 0.000 -13.858) 24.443 34.212 ( 17.250 0.000 8.815) 19.372 34.252 ( 13.313 0.000 -3.688) 13.814 34.817 ( 1.131 0.000 6.741) 6.835 35.012 ( 5.841 0.000 -12.489) 13.788 35.364 ( -9.945 0.000 2.564) 10.271 35.601 ( 4.219 0.000 -4.234) 5.977 106.322 ( -0.766 0.000 -0.027) 0.767 106.339 ( 0.331 0.000 -0.244) 0.411 106.386 ( -0.747 0.000 0.291) 0.801 106.404 ( 0.230 0.000 0.069) 0.240 108.390 ( 0.193 0.000 0.623) 0.652 108.416 ( 0.978 0.000 -1.060) 1.442 108.459 ( 0.633 0.000 0.913) 1.111 108.461 ( -0.453 0.000 -1.154) 1.240 ======================= Grid point 92 (45/84) ======================= q-point: ( 0.22 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 9.266 0.000 -16.775) 19.163 1.844 ( 17.365 0.000 -11.660) 20.916 1.954 ( 17.097 0.000 10.195) 19.906 2.004 ( 7.992 0.000 18.259) 19.931 2.449 ( -9.714 0.000 6.279) 11.567 2.481 ( 2.043 0.000 -5.335) 5.713 2.623 ( -1.811 0.000 -9.800) 9.966 2.647 ( 2.901 0.000 -3.835) 4.809 2.951 ( -5.552 0.000 9.741) 11.212 2.978 ( 2.433 0.000 3.806) 4.517 3.123 ( -4.420 0.000 -8.318) 9.419 3.245 ( 7.186 0.000 -9.324) 11.772 3.266 ( 2.716 0.000 -6.637) 7.171 3.451 ( -1.487 0.000 1.196) 1.908 3.494 ( -7.100 0.000 -2.646) 7.577 3.605 ( -3.134 0.000 -7.031) 7.697 3.634 ( -3.297 0.000 -0.443) 3.326 3.660 ( -1.161 0.000 -10.837) 10.899 3.716 ( -10.599 0.000 -3.235) 11.081 3.842 ( 6.318 0.000 -14.387) 15.713 3.885 ( -3.175 0.000 2.087) 3.800 3.899 ( -2.688 0.000 7.587) 8.049 4.008 ( 1.303 0.000 2.790) 3.079 4.060 ( 4.819 0.000 4.477) 6.577 4.101 ( -3.859 0.000 1.221) 4.048 4.114 ( -6.589 0.000 -2.985) 7.233 4.173 ( 1.866 0.000 6.833) 7.083 4.442 ( 6.051 0.000 -1.858) 6.330 4.527 ( 7.527 0.000 3.832) 8.447 4.621 ( -5.678 0.000 -0.506) 5.700 4.697 ( -2.738 0.000 0.526) 2.788 4.765 ( 3.997 0.000 -6.777) 7.868 4.869 ( -3.217 0.000 -4.618) 5.628 4.870 ( -0.176 0.000 1.073) 1.087 4.978 ( -1.084 0.000 -5.460) 5.567 4.983 ( 5.465 0.000 15.105) 16.064 5.038 ( 10.394 0.000 4.005) 11.139 5.133 ( 0.381 0.000 -3.703) 3.722 5.239 ( 0.613 0.000 4.387) 4.430 5.317 ( 4.326 0.000 -0.414) 4.346 5.366 ( -4.812 0.000 8.585) 9.842 5.513 ( 2.783 0.000 6.452) 7.027 5.554 ( 2.896 0.000 1.393) 3.214 5.583 ( -8.307 0.000 -2.887) 8.795 5.707 ( 2.640 0.000 -3.383) 4.291 5.748 ( -0.730 0.000 -0.415) 0.840 5.810 ( -10.158 0.000 6.861) 12.258 5.846 ( -3.219 0.000 0.526) 3.261 5.857 ( 8.891 0.000 4.117) 9.798 5.966 ( -2.020 0.000 -1.512) 2.523 6.118 ( -3.693 0.000 2.947) 4.724 6.315 ( 0.308 0.000 1.609) 1.638 6.338 ( -8.602 0.000 -6.382) 10.711 6.374 ( -5.170 0.000 0.122) 5.172 6.446 ( -10.173 0.000 -3.656) 10.810 6.526 ( -5.848 0.000 2.389) 6.317 6.636 ( 5.243 0.000 4.722) 7.056 6.656 ( 4.686 0.000 -3.887) 6.088 6.707 ( -1.085 0.000 3.026) 3.214 6.772 ( 0.118 0.000 1.894) 1.897 6.823 ( 9.318 0.000 -2.172) 9.568 6.901 ( 2.379 0.000 -3.442) 4.184 7.052 ( 2.853 0.000 -2.540) 3.820 7.096 ( 4.105 0.000 -6.057) 7.317 7.457 ( -1.001 0.000 -1.313) 1.651 7.543 ( -1.231 0.000 4.313) 4.486 7.592 ( -2.721 0.000 8.123) 8.566 7.612 ( -5.724 0.000 -2.253) 6.152 7.941 ( -1.623 0.000 4.937) 5.197 8.064 ( 1.145 0.000 -1.032) 1.542 8.135 ( 1.246 0.000 2.777) 3.044 8.206 ( 1.518 0.000 1.803) 2.357 9.225 ( -0.406 0.000 1.514) 1.567 9.327 ( 3.039 0.000 -0.913) 3.173 9.520 ( -0.320 0.000 1.463) 1.497 9.600 ( 2.938 0.000 -1.674) 3.381 9.868 ( -0.629 0.000 -3.446) 3.503 9.952 ( 0.432 0.000 2.576) 2.612 9.989 ( 0.989 0.000 -11.165) 11.209 10.038 ( 2.012 0.000 -0.679) 2.123 10.217 ( -5.286 0.000 -2.519) 5.856 10.240 ( -1.497 0.000 -1.777) 2.324 10.327 ( 0.332 0.000 6.955) 6.963 10.702 ( 2.573 0.000 6.859) 7.326 10.730 ( 0.363 0.000 -1.796) 1.833 10.793 ( -7.909 0.000 -3.839) 8.791 10.836 ( 0.566 0.000 9.858) 9.874 11.185 ( 0.622 0.000 -6.320) 6.351 11.629 ( -2.097 0.000 4.414) 4.887 11.647 ( -1.008 0.000 -0.023) 1.008 12.260 ( 1.171 0.000 -0.157) 1.182 12.290 ( 0.738 0.000 -1.636) 1.795 12.335 ( 0.207 0.000 -0.630) 0.663 12.398 ( 5.339 0.000 -1.165) 5.464 12.511 ( -0.197 0.000 3.235) 3.241 12.558 ( -2.641 0.000 -1.057) 2.845 12.644 ( -0.980 0.000 1.245) 1.585 12.743 ( 0.461 0.000 -3.631) 3.660 12.851 ( 5.401 0.000 -1.803) 5.694 12.889 ( 2.171 0.000 -4.396) 4.903 13.048 ( -0.639 0.000 0.153) 0.657 13.113 ( 0.387 0.000 0.914) 0.993 13.131 ( -0.871 0.000 2.803) 2.935 13.207 ( 0.666 0.000 1.398) 1.549 13.383 ( -3.453 0.000 -1.197) 3.654 13.461 ( -3.735 0.000 0.842) 3.828 13.508 ( -3.938 0.000 2.263) 4.542 13.627 ( -2.308 0.000 -0.266) 2.323 13.719 ( 2.354 0.000 1.483) 2.782 13.792 ( 2.455 0.000 0.185) 2.462 13.857 ( 2.933 0.000 -0.284) 2.947 13.966 ( 3.829 0.000 -0.521) 3.865 17.087 ( -0.118 0.000 0.974) 0.981 17.088 ( -0.431 0.000 -0.482) 0.647 17.160 ( -1.820 0.000 1.481) 2.346 17.207 ( 0.111 0.000 -0.162) 0.196 17.251 ( -0.081 0.000 -0.047) 0.094 17.324 ( -0.183 0.000 0.893) 0.911 17.386 ( -0.489 0.000 0.293) 0.571 17.438 ( 0.923 0.000 -3.932) 4.039 17.456 ( -3.614 0.000 -4.784) 5.996 17.477 ( 1.707 0.000 1.061) 2.010 17.633 ( 2.749 0.000 0.753) 2.850 17.749 ( 2.031 0.000 -0.831) 2.194 17.813 ( -0.297 0.000 -0.644) 0.709 17.848 ( 0.225 0.000 -0.626) 0.665 17.900 ( 2.914 0.000 0.641) 2.983 17.941 ( 2.920 0.000 0.697) 3.002 18.324 ( -0.760 0.000 1.811) 1.964 18.374 ( -0.958 0.000 1.908) 2.135 18.426 ( 2.010 0.000 -0.443) 2.058 18.499 ( 2.665 0.000 -0.115) 2.667 18.547 ( -4.759 0.000 3.743) 6.055 18.688 ( -5.933 0.000 5.393) 8.018 18.807 ( 4.402 0.000 -3.801) 5.816 18.881 ( 1.102 0.000 -2.274) 2.527 20.180 ( -3.799 0.000 -1.231) 3.993 20.395 ( -5.946 0.000 -2.012) 6.277 20.680 ( 5.783 0.000 -5.422) 7.927 20.771 ( 5.910 0.000 -1.701) 6.150 21.598 ( -1.107 0.000 1.993) 2.280 21.831 ( 7.824 0.000 -1.065) 7.896 21.891 ( -3.466 0.000 -0.882) 3.576 22.103 ( -2.276 0.000 -3.417) 4.106 22.219 ( -0.066 0.000 1.324) 1.325 22.222 ( 4.144 0.000 3.853) 5.658 22.400 ( -6.558 0.000 -9.257) 11.344 22.663 ( -2.659 0.000 9.752) 10.108 25.291 ( -2.288 0.000 5.274) 5.749 25.378 ( 3.197 0.000 -4.880) 5.834 25.560 ( -8.451 0.000 2.849) 8.918 25.693 ( -4.023 0.000 -2.860) 4.936 29.120 ( 1.384 0.000 -0.139) 1.391 29.160 ( 1.157 0.000 0.452) 1.242 29.216 ( 2.437 0.000 0.257) 2.450 29.226 ( 3.146 0.000 -0.515) 3.188 29.507 ( -1.811 0.000 -0.353) 1.845 29.537 ( -0.865 0.000 0.191) 0.886 29.596 ( -2.261 0.000 -0.679) 2.361 29.643 ( -0.797 0.000 1.636) 1.820 31.018 ( -1.336 0.000 -2.796) 3.099 31.050 ( -2.037 0.000 2.926) 3.565 31.183 ( 4.470 0.000 -5.916) 7.415 31.442 ( 10.664 0.000 10.091) 14.682 31.719 ( -3.044 0.000 2.276) 3.801 31.849 ( -0.848 0.000 -7.706) 7.753 32.035 ( -5.271 0.000 7.745) 9.368 32.140 ( -2.553 0.000 -3.364) 4.223 32.143 ( 0.900 0.000 -2.491) 2.649 32.334 ( 0.614 0.000 -2.974) 3.036 32.493 ( 0.706 0.000 -5.599) 5.643 32.663 ( 2.302 0.000 9.763) 10.031 32.819 ( 1.558 0.000 1.061) 1.884 32.930 ( 5.434 0.000 -0.102) 5.435 33.126 ( 2.842 0.000 -0.567) 2.898 33.181 ( 3.398 0.000 0.569) 3.445 33.409 ( -13.112 0.000 -7.769) 15.240 33.523 ( -13.224 0.000 7.343) 15.126 34.399 ( 9.759 0.000 -1.629) 9.894 34.531 ( 9.246 0.000 8.014) 12.235 34.869 ( 1.485 0.000 -16.860) 16.926 34.905 ( 3.567 0.000 2.124) 4.152 35.336 ( -2.846 0.000 10.413) 10.795 35.587 ( 0.104 0.000 -0.287) 0.305 106.313 ( -0.807 0.000 0.295) 0.859 106.340 ( 0.122 0.000 -0.116) 0.168 106.379 ( -0.788 0.000 0.196) 0.812 106.407 ( 0.029 0.000 0.111) 0.115 108.402 ( 0.630 0.000 0.521) 0.817 108.414 ( 0.937 0.000 -1.154) 1.487 108.443 ( -0.298 0.000 -0.837) 0.888 108.480 ( 0.500 0.000 1.061) 1.173 ======================= Grid point 93 (46/84) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 18.380 0.000 -13.667) 22.904 1.936 ( 19.142 0.000 -16.907) 25.540 2.222 ( 11.139 0.000 -4.758) 12.113 2.295 ( -3.362 0.000 10.736) 11.250 2.379 ( -3.710 0.000 5.369) 6.526 2.462 ( 5.627 0.000 -8.003) 9.783 2.555 ( 5.526 0.000 -2.403) 6.026 2.606 ( -4.467 0.000 0.115) 4.468 2.874 ( -7.797 0.000 -8.558) 11.577 2.962 ( -8.448 0.000 5.886) 10.296 3.057 ( 3.419 0.000 1.418) 3.701 3.165 ( -3.748 0.000 -1.571) 4.064 3.185 ( 6.618 0.000 -12.549) 14.188 3.286 ( -8.428 0.000 -11.376) 14.158 3.359 ( -6.141 0.000 -6.323) 8.814 3.469 ( -2.751 0.000 -8.353) 8.795 3.509 ( -0.252 0.000 -13.237) 13.239 3.520 ( -4.074 0.000 -7.952) 8.935 3.700 ( 1.982 0.000 7.378) 7.640 3.748 ( 1.384 0.000 -6.098) 6.253 3.868 ( 5.297 0.000 -5.369) 7.542 3.949 ( -0.684 0.000 3.651) 3.715 3.965 ( -1.074 0.000 -3.633) 3.789 4.038 ( 1.184 0.000 -0.981) 1.537 4.056 ( -4.320 0.000 3.684) 5.677 4.204 ( 3.446 0.000 -0.643) 3.506 4.262 ( -4.635 0.000 3.717) 5.942 4.436 ( -7.764 0.000 -7.748) 10.969 4.599 ( 6.025 0.000 4.535) 7.541 4.666 ( 9.707 0.000 -2.358) 9.989 4.682 ( 1.954 0.000 -1.451) 2.434 4.753 ( 3.682 0.000 0.032) 3.682 4.768 ( -8.346 0.000 3.351) 8.994 4.826 ( -0.496 0.000 1.873) 1.937 5.069 ( 6.857 0.000 5.133) 8.566 5.117 ( 3.008 0.000 -2.462) 3.887 5.202 ( 0.081 0.000 7.505) 7.505 5.222 ( 6.793 0.000 1.270) 6.910 5.305 ( 4.590 0.000 -3.539) 5.796 5.343 ( -1.516 0.000 6.684) 6.854 5.383 ( 1.233 0.000 -1.176) 1.704 5.486 ( -2.883 0.000 -0.012) 2.883 5.522 ( -2.586 0.000 3.187) 4.104 5.636 ( -3.124 0.000 7.527) 8.150 5.740 ( -6.728 0.000 7.182) 9.841 5.776 ( -0.020 0.000 2.765) 2.765 5.831 ( -3.266 0.000 0.937) 3.398 5.852 ( 4.525 0.000 9.495) 10.518 5.931 ( -4.861 0.000 3.572) 6.032 6.006 ( 0.538 0.000 2.167) 2.232 6.086 ( -4.334 0.000 -0.112) 4.335 6.187 ( -8.702 0.000 -1.019) 8.761 6.215 ( -6.178 0.000 3.507) 7.105 6.288 ( 5.140 0.000 -2.252) 5.612 6.394 ( -0.047 0.000 2.155) 2.155 6.495 ( -4.239 0.000 4.316) 6.049 6.628 ( -0.606 0.000 -0.632) 0.876 6.757 ( 2.340 0.000 1.767) 2.932 6.776 ( -1.426 0.000 -0.014) 1.426 6.789 ( 2.990 0.000 2.862) 4.139 6.870 ( 2.240 0.000 -4.269) 4.821 6.923 ( 5.878 0.000 -2.649) 6.447 7.053 ( 2.135 0.000 -6.763) 7.092 7.070 ( 5.787 0.000 -2.979) 6.508 7.480 ( 2.362 0.000 3.206) 3.982 7.489 ( -6.985 0.000 -0.826) 7.033 7.586 ( -3.096 0.000 5.865) 6.632 7.686 ( -1.421 0.000 10.362) 10.459 7.947 ( -3.447 0.000 1.601) 3.801 8.062 ( 0.302 0.000 -0.928) 0.976 8.232 ( 1.851 0.000 8.498) 8.697 8.266 ( 1.869 0.000 4.064) 4.473 9.238 ( -0.433 0.000 1.292) 1.363 9.356 ( 2.390 0.000 -0.743) 2.503 9.532 ( -0.416 0.000 1.117) 1.192 9.634 ( 3.169 0.000 0.039) 3.169 9.785 ( 0.798 0.000 -9.562) 9.595 9.876 ( 2.242 0.000 -7.172) 7.514 9.953 ( 0.280 0.000 -4.473) 4.482 9.998 ( -1.294 0.000 -3.480) 3.713 10.159 ( -1.431 0.000 -0.679) 1.584 10.250 ( 1.369 0.000 1.385) 1.947 10.450 ( 0.338 0.000 9.672) 9.677 10.618 ( -5.879 0.000 -7.094) 9.214 10.747 ( 2.020 0.000 2.107) 2.919 10.819 ( 0.419 0.000 8.367) 8.377 10.963 ( -3.296 0.000 11.134) 11.612 11.103 ( -0.063 0.000 -6.077) 6.077 11.637 ( -0.054 0.000 0.009) 0.055 11.644 ( -3.518 0.000 3.849) 5.214 12.230 ( 0.809 0.000 -4.659) 4.729 12.262 ( 0.559 0.000 -3.949) 3.988 12.331 ( -1.774 0.000 -0.753) 1.927 12.404 ( 2.492 0.000 -6.443) 6.908 12.530 ( -2.043 0.000 0.527) 2.110 12.543 ( -0.290 0.000 1.825) 1.848 12.632 ( 0.424 0.000 -0.969) 1.058 12.695 ( 0.926 0.000 -4.226) 4.326 12.840 ( -0.049 0.000 -4.470) 4.470 12.907 ( 4.591 0.000 -1.383) 4.795 13.064 ( 1.094 0.000 1.086) 1.541 13.125 ( 0.172 0.000 0.597) 0.621 13.160 ( -0.927 0.000 2.721) 2.875 13.225 ( -0.360 0.000 0.249) 0.437 13.332 ( -2.102 0.000 -0.105) 2.104 13.425 ( -3.163 0.000 1.360) 3.443 13.482 ( -3.621 0.000 2.052) 4.162 13.582 ( -2.394 0.000 -0.960) 2.580 13.780 ( 1.990 0.000 2.927) 3.540 13.839 ( 1.916 0.000 1.801) 2.630 13.912 ( 3.109 0.000 1.973) 3.682 14.017 ( 3.292 0.000 0.571) 3.341 17.061 ( -0.513 0.000 -1.706) 1.782 17.097 ( -0.098 0.000 0.216) 0.237 17.166 ( -0.630 0.000 2.068) 2.161 17.205 ( -0.763 0.000 0.833) 1.130 17.264 ( 1.413 0.000 0.583) 1.529 17.312 ( -0.479 0.000 0.499) 0.692 17.365 ( -1.030 0.000 -2.841) 3.021 17.415 ( 1.677 0.000 -0.136) 1.682 17.478 ( 4.047 0.000 4.325) 5.923 17.497 ( 0.107 0.000 -0.223) 0.248 17.672 ( 1.684 0.000 0.770) 1.852 17.765 ( 1.684 0.000 -0.641) 1.801 17.804 ( 0.368 0.000 -0.785) 0.867 17.841 ( 0.098 0.000 -0.854) 0.860 17.920 ( 1.528 0.000 -1.874) 2.418 17.982 ( 1.812 0.000 -0.364) 1.848 18.335 ( -1.620 0.000 2.394) 2.891 18.387 ( -1.015 0.000 2.433) 2.636 18.450 ( 1.903 0.000 -0.044) 1.904 18.530 ( 1.029 0.000 0.518) 1.152 18.536 ( -4.033 0.000 4.243) 5.854 18.680 ( -5.254 0.000 5.432) 7.557 18.808 ( 3.378 0.000 -4.640) 5.739 18.862 ( 1.066 0.000 -2.770) 2.968 20.158 ( 1.123 0.000 0.262) 1.153 20.302 ( -3.712 0.000 -0.898) 3.819 20.645 ( 3.145 0.000 -9.523) 10.029 20.794 ( 2.846 0.000 -4.037) 4.939 21.602 ( -1.304 0.000 1.080) 1.694 21.848 ( -1.192 0.000 -0.779) 1.424 21.910 ( 7.884 0.000 -5.976) 9.893 22.009 ( -3.310 0.000 -4.957) 5.961 22.179 ( -3.393 0.000 -3.435) 4.828 22.232 ( -1.015 0.000 2.001) 2.244 22.413 ( 4.413 0.000 8.091) 9.216 22.724 ( -5.054 0.000 8.344) 9.755 25.314 ( -3.022 0.000 3.977) 4.995 25.377 ( 4.974 0.000 -4.207) 6.515 25.474 ( -8.354 0.000 2.107) 8.615 25.588 ( -3.454 0.000 -4.470) 5.649 29.139 ( 1.469 0.000 0.012) 1.469 29.179 ( 0.808 0.000 0.300) 0.862 29.257 ( 2.999 0.000 0.004) 2.999 29.263 ( 2.235 0.000 0.121) 2.239 29.478 ( -1.907 0.000 -0.166) 1.914 29.519 ( -1.157 0.000 -0.781) 1.395 29.559 ( -2.043 0.000 -0.109) 2.045 29.644 ( -1.464 0.000 0.888) 1.712 30.984 ( 0.765 0.000 -1.940) 2.086 31.044 ( -2.758 0.000 1.215) 3.014 31.176 ( 4.879 0.000 -5.198) 7.129 31.601 ( -4.403 0.000 -5.736) 7.231 31.714 ( -1.501 0.000 2.189) 2.654 31.831 ( 9.553 0.000 8.240) 12.616 32.003 ( -2.190 0.000 -3.288) 3.950 32.112 ( -4.968 0.000 6.386) 8.090 32.119 ( 1.507 0.000 -2.524) 2.939 32.267 ( -1.265 0.000 -6.692) 6.810 32.457 ( 2.152 0.000 -3.507) 4.115 32.729 ( -3.870 0.000 0.616) 3.918 32.882 ( 4.319 0.000 1.888) 4.713 33.006 ( 4.927 0.000 0.372) 4.941 33.153 ( -4.530 0.000 -2.435) 5.143 33.160 ( 0.875 0.000 1.984) 2.169 33.314 ( 2.862 0.000 2.517) 3.812 33.450 ( -10.428 0.000 6.742) 12.418 34.461 ( 7.445 0.000 -5.113) 9.032 34.634 ( -1.619 0.000 0.794) 1.803 34.649 ( -1.691 0.000 -15.554) 15.646 34.930 ( 0.318 0.000 -5.003) 5.013 35.571 ( 4.165 0.000 20.928) 21.339 35.671 ( 4.276 0.000 9.916) 10.799 106.308 ( -0.658 0.000 0.629) 0.910 106.340 ( 0.045 0.000 -0.136) 0.143 106.371 ( -0.613 0.000 0.275) 0.671 106.406 ( -0.264 0.000 0.073) 0.274 108.413 ( 0.918 0.000 -1.033) 1.382 108.418 ( 0.314 0.000 0.125) 0.338 108.436 ( 0.480 0.000 0.183) 0.514 108.498 ( 0.161 0.000 0.930) 0.943 ======================= Grid point 94 (47/84) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 5.447 0.000 -17.415) 18.247 1.908 ( 22.278 0.000 -10.620) 24.680 2.074 ( -7.195 0.000 -15.607) 17.186 2.146 ( -10.487 0.000 -4.697) 11.491 2.473 ( -3.785 0.000 5.106) 6.356 2.495 ( 10.816 0.000 -5.409) 12.093 2.562 ( -4.394 0.000 -0.116) 4.396 2.642 ( 11.165 0.000 -3.012) 11.564 2.796 ( 4.862 0.000 -6.138) 7.831 2.914 ( -4.409 0.000 1.802) 4.763 2.964 ( -8.297 0.000 -3.035) 8.835 3.022 ( -4.187 0.000 -8.218) 9.223 3.103 ( -8.729 0.000 4.917) 10.019 3.179 ( -2.549 0.000 -1.743) 3.088 3.288 ( 0.915 0.000 -10.076) 10.118 3.355 ( -5.599 0.000 -7.538) 9.390 3.377 ( 2.346 0.000 2.232) 3.238 3.403 ( 4.601 0.000 -4.208) 6.236 3.612 ( -16.439 0.000 0.903) 16.464 3.792 ( 4.187 0.000 0.915) 4.286 3.903 ( 8.346 0.000 -10.508) 13.419 3.905 ( 5.357 0.000 -0.717) 5.405 4.019 ( 4.468 0.000 -6.865) 8.191 4.078 ( 3.732 0.000 -2.664) 4.585 4.111 ( 6.308 0.000 6.172) 8.825 4.130 ( -8.341 0.000 0.713) 8.372 4.212 ( 1.022 0.000 1.805) 2.075 4.334 ( -2.931 0.000 -0.104) 2.933 4.556 ( 1.771 0.000 -8.673) 8.852 4.709 ( 5.629 0.000 -2.584) 6.194 4.749 ( -4.547 0.000 5.139) 6.862 4.785 ( -1.018 0.000 -3.654) 3.793 4.790 ( 0.344 0.000 4.480) 4.493 4.863 ( -0.337 0.000 -4.859) 4.870 5.114 ( 4.769 0.000 3.406) 5.861 5.175 ( -4.135 0.000 -2.726) 4.953 5.228 ( 4.173 0.000 2.871) 5.065 5.263 ( -0.770 0.000 0.127) 0.780 5.328 ( 1.437 0.000 -0.394) 1.490 5.425 ( 3.724 0.000 -0.906) 3.832 5.433 ( 0.998 0.000 6.527) 6.603 5.482 ( 1.344 0.000 4.994) 5.172 5.572 ( 0.075 0.000 2.095) 2.096 5.593 ( -8.766 0.000 5.909) 10.572 5.760 ( -4.423 0.000 2.762) 5.214 5.773 ( -6.835 0.000 0.963) 6.902 5.829 ( -0.584 0.000 5.149) 5.182 5.854 ( -2.539 0.000 2.030) 3.250 5.988 ( -5.778 0.000 4.101) 7.085 6.026 ( -0.414 0.000 12.552) 12.559 6.076 ( 0.589 0.000 3.474) 3.523 6.158 ( 4.271 0.000 0.642) 4.319 6.324 ( 7.096 0.000 8.899) 11.382 6.390 ( -3.555 0.000 1.189) 3.749 6.430 ( 9.601 0.000 -1.611) 9.735 6.523 ( -0.054 0.000 4.280) 4.281 6.643 ( 0.623 0.000 2.790) 2.859 6.679 ( -3.465 0.000 -6.314) 7.202 6.753 ( -4.572 0.000 2.331) 5.132 6.836 ( -1.423 0.000 2.612) 2.975 6.883 ( 2.094 0.000 -2.362) 3.157 6.910 ( 0.568 0.000 -4.471) 4.506 7.017 ( 4.368 0.000 -4.786) 6.480 7.077 ( 2.058 0.000 -5.877) 6.227 7.477 ( 3.087 0.000 4.186) 5.202 7.585 ( 3.532 0.000 5.729) 6.731 7.595 ( -4.771 0.000 4.258) 6.395 7.787 ( -3.207 0.000 9.155) 9.700 7.903 ( -2.832 0.000 -0.620) 2.899 8.052 ( 0.680 0.000 -1.568) 1.710 8.364 ( 0.640 0.000 8.412) 8.436 8.385 ( 0.291 0.000 11.905) 11.909 9.249 ( -0.683 0.000 1.760) 1.888 9.366 ( 0.971 0.000 -1.565) 1.842 9.533 ( -1.204 0.000 0.641) 1.364 9.642 ( 2.292 0.000 -7.283) 7.635 9.719 ( 1.732 0.000 -1.168) 2.089 9.852 ( 5.643 0.000 -6.028) 8.257 9.857 ( -1.767 0.000 -7.383) 7.592 9.921 ( -2.879 0.000 -5.294) 6.026 10.140 ( -0.510 0.000 -0.421) 0.661 10.272 ( 2.671 0.000 -2.942) 3.974 10.485 ( -1.920 0.000 -3.303) 3.821 10.533 ( -2.023 0.000 3.984) 4.468 10.853 ( 4.322 0.000 7.232) 8.425 10.920 ( -0.957 0.000 7.447) 7.509 11.022 ( -5.838 0.000 8.211) 10.075 11.054 ( 2.731 0.000 -3.487) 4.429 11.635 ( -5.062 0.000 4.402) 6.708 11.661 ( 1.919 0.000 2.254) 2.960 12.180 ( 0.163 0.000 -4.851) 4.854 12.206 ( -0.246 0.000 -5.278) 5.283 12.266 ( -2.635 0.000 -2.688) 3.764 12.340 ( 1.101 0.000 -6.361) 6.456 12.484 ( -1.000 0.000 -3.485) 3.626 12.515 ( -3.352 0.000 -2.613) 4.251 12.643 ( 0.546 0.000 0.648) 0.847 12.691 ( 4.483 0.000 -2.754) 5.261 12.799 ( -0.188 0.000 -0.464) 0.500 12.924 ( 0.634 0.000 -1.926) 2.028 13.086 ( 0.729 0.000 0.105) 0.737 13.134 ( 0.266 0.000 -0.391) 0.473 13.163 ( -1.570 0.000 0.599) 1.680 13.194 ( -1.097 0.000 -2.308) 2.555 13.338 ( 0.745 0.000 2.441) 2.552 13.412 ( -1.635 0.000 1.712) 2.368 13.465 ( -2.528 0.000 2.281) 3.405 13.550 ( -0.030 0.000 -1.006) 1.007 13.843 ( 1.039 0.000 3.239) 3.402 13.882 ( 0.834 0.000 1.729) 1.919 13.982 ( 1.584 0.000 3.393) 3.745 14.065 ( 1.855 0.000 0.873) 2.050 17.047 ( 0.979 0.000 -1.060) 1.442 17.081 ( -1.462 0.000 -0.801) 1.667 17.190 ( -0.732 0.000 3.059) 3.145 17.215 ( 0.099 0.000 1.473) 1.476 17.298 ( 1.825 0.000 0.744) 1.971 17.310 ( -1.300 0.000 -0.555) 1.413 17.339 ( 1.240 0.000 -0.250) 1.265 17.471 ( -1.578 0.000 -2.112) 2.637 17.502 ( 5.438 0.000 5.597) 7.804 17.603 ( 3.689 0.000 5.644) 6.743 17.702 ( 0.818 0.000 1.024) 1.310 17.780 ( 1.191 0.000 -0.158) 1.201 17.801 ( 0.592 0.000 -0.765) 0.967 17.829 ( -0.026 0.000 -1.037) 1.037 17.901 ( 0.451 0.000 -3.400) 3.430 17.966 ( -0.578 0.000 -3.629) 3.675 18.346 ( -2.236 0.000 3.922) 4.515 18.408 ( -1.546 0.000 3.391) 3.726 18.476 ( 1.355 0.000 0.323) 1.393 18.537 ( 0.073 0.000 -0.397) 0.404 18.539 ( -3.508 0.000 4.172) 5.450 18.679 ( -4.761 0.000 5.254) 7.090 18.782 ( 2.535 0.000 -5.603) 6.150 18.849 ( 2.598 0.000 -2.974) 3.949 20.172 ( -0.868 0.000 0.727) 1.133 20.310 ( 2.343 0.000 4.089) 4.713 20.535 ( 1.021 0.000 -11.559) 11.604 20.753 ( 1.644 0.000 -6.953) 7.145 21.588 ( -2.231 0.000 0.777) 2.363 21.835 ( 0.357 0.000 -0.524) 0.634 21.846 ( 0.400 0.000 -10.134) 10.142 21.922 ( -0.103 0.000 -4.509) 4.510 22.189 ( 2.579 0.000 3.033) 3.981 22.240 ( -1.563 0.000 1.937) 2.489 22.594 ( 5.444 0.000 8.509) 10.102 22.743 ( -5.612 0.000 6.490) 8.580 25.306 ( -4.297 0.000 2.746) 5.099 25.384 ( -7.668 0.000 1.525) 7.818 25.406 ( 5.900 0.000 -3.502) 6.861 25.505 ( 0.877 0.000 -4.741) 4.822 29.161 ( 1.309 0.000 0.365) 1.359 29.187 ( -0.181 0.000 0.097) 0.205 29.287 ( 0.639 0.000 0.304) 0.708 29.295 ( 2.366 0.000 -0.286) 2.383 29.451 ( -1.620 0.000 0.017) 1.620 29.491 ( -0.470 0.000 -1.495) 1.567 29.545 ( -0.518 0.000 0.941) 1.074 29.624 ( -2.009 0.000 -0.126) 2.013 30.989 ( 2.705 0.000 -1.151) 2.939 31.006 ( -3.319 0.000 -0.139) 3.322 31.190 ( 5.445 0.000 -3.711) 6.589 31.396 ( -7.577 0.000 -8.145) 11.125 31.739 ( 0.002 0.000 3.563) 3.563 31.945 ( 0.976 0.000 -3.586) 3.716 32.004 ( -0.437 0.000 -0.310) 0.536 32.119 ( -7.744 0.000 8.241) 11.309 32.143 ( 1.637 0.000 -5.994) 6.214 32.206 ( 4.380 0.000 5.601) 7.110 32.454 ( 2.697 0.000 -2.659) 3.787 32.564 ( -8.083 0.000 -9.770) 12.680 32.962 ( 1.581 0.000 2.887) 3.291 33.104 ( 4.736 0.000 -0.515) 4.764 33.131 ( 4.181 0.000 5.285) 6.739 33.217 ( 1.725 0.000 4.663) 4.972 33.382 ( 0.242 0.000 1.952) 1.967 33.394 ( -7.446 0.000 3.559) 8.253 34.416 ( 3.171 0.000 -14.592) 14.932 34.545 ( -3.905 0.000 -7.667) 8.604 34.583 ( 8.437 0.000 0.741) 8.470 34.797 ( -8.359 0.000 -4.828) 9.653 35.870 ( -1.514 0.000 19.628) 19.686 35.918 ( 7.869 0.000 12.743) 14.977 106.310 ( -0.369 0.000 0.776) 0.860 106.339 ( 0.189 0.000 -0.279) 0.337 106.370 ( -0.207 0.000 0.519) 0.559 106.401 ( -0.416 0.000 -0.187) 0.456 108.411 ( -0.471 0.000 -0.350) 0.587 108.414 ( 0.798 0.000 -0.805) 1.134 108.461 ( 1.108 0.000 1.277) 1.691 108.507 ( -0.232 0.000 0.511) 0.561 ======================= Grid point 95 (48/84) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -17.086 0.000 -15.279) 22.921 1.680 ( -14.992 0.000 -3.663) 15.433 1.974 ( 0.489 0.000 -8.901) 8.914 2.177 ( 20.941 0.000 -5.359) 21.616 2.405 ( -9.378 0.000 -1.768) 9.543 2.466 ( -4.417 0.000 -0.823) 4.493 2.569 ( 8.390 0.000 -4.106) 9.341 2.668 ( -0.665 0.000 -7.758) 7.787 2.765 ( -5.367 0.000 -6.410) 8.360 2.798 ( 7.402 0.000 -0.512) 7.420 2.921 ( -5.412 0.000 -1.022) 5.507 3.050 ( -3.930 0.000 -2.686) 4.760 3.064 ( 6.798 0.000 0.751) 6.839 3.097 ( -8.028 0.000 2.751) 8.486 3.162 ( -13.177 0.000 5.757) 14.380 3.174 ( -2.269 0.000 -5.436) 5.891 3.396 ( 3.985 0.000 -2.743) 4.838 3.441 ( 1.617 0.000 4.297) 4.591 3.574 ( 1.855 0.000 11.243) 11.395 3.726 ( -5.303 0.000 -1.202) 5.437 3.911 ( 1.028 0.000 -8.776) 8.836 3.912 ( -1.688 0.000 -8.067) 8.242 3.994 ( 5.812 0.000 -1.245) 5.944 4.110 ( 7.127 0.000 -7.814) 10.576 4.138 ( 4.673 0.000 2.558) 5.327 4.247 ( 4.923 0.000 2.034) 5.327 4.308 ( -2.646 0.000 1.818) 3.210 4.332 ( 6.865 0.000 5.159) 8.587 4.468 ( -0.165 0.000 -6.276) 6.278 4.606 ( -4.428 0.000 -11.483) 12.307 4.739 ( -5.584 0.000 3.422) 6.549 4.752 ( -6.145 0.000 -2.490) 6.630 4.756 ( 0.894 0.000 -0.234) 0.924 4.854 ( 5.879 0.000 1.967) 6.199 5.089 ( -4.790 0.000 2.651) 5.475 5.224 ( -2.701 0.000 -2.803) 3.892 5.236 ( 3.055 0.000 3.214) 4.435 5.298 ( 1.751 0.000 0.171) 1.759 5.336 ( 4.528 0.000 -0.694) 4.581 5.410 ( -2.340 0.000 -3.875) 4.527 5.507 ( -4.113 0.000 5.165) 6.603 5.559 ( -2.112 0.000 2.443) 3.229 5.602 ( 1.794 0.000 1.542) 2.366 5.616 ( 5.006 0.000 4.136) 6.493 5.718 ( -4.265 0.000 4.498) 6.199 5.773 ( -1.591 0.000 3.295) 3.659 5.833 ( -5.668 0.000 2.683) 6.271 5.872 ( 1.366 0.000 3.418) 3.681 6.030 ( 1.552 0.000 5.668) 5.876 6.102 ( -3.333 0.000 2.720) 4.302 6.183 ( 3.637 0.000 7.482) 8.319 6.266 ( 6.281 0.000 0.428) 6.296 6.379 ( -0.216 0.000 4.400) 4.406 6.453 ( 1.805 0.000 -5.434) 5.726 6.502 ( -2.704 0.000 -8.889) 9.292 6.502 ( 6.087 0.000 2.559) 6.603 6.608 ( -0.267 0.000 2.724) 2.737 6.700 ( 3.763 0.000 -0.279) 3.773 6.778 ( 0.112 0.000 7.404) 7.405 6.833 ( -3.135 0.000 2.376) 3.933 6.858 ( -0.149 0.000 -2.227) 2.232 6.870 ( 1.498 0.000 -1.695) 2.261 7.022 ( 3.278 0.000 -4.505) 5.572 7.029 ( 1.600 0.000 -4.884) 5.139 7.568 ( -3.899 0.000 1.309) 4.113 7.614 ( 6.978 0.000 3.358) 7.744 7.711 ( 3.242 0.000 6.307) 7.091 7.789 ( -4.566 0.000 -0.484) 4.592 7.892 ( -1.584 0.000 4.144) 4.436 8.038 ( 0.717 0.000 -2.531) 2.630 8.492 ( -1.969 0.000 12.524) 12.678 8.509 ( -3.146 0.000 8.983) 9.518 9.266 ( -1.134 0.000 2.745) 2.970 9.348 ( 0.038 0.000 -1.983) 1.983 9.503 ( -2.499 0.000 -1.972) 3.183 9.566 ( 2.027 0.000 -8.326) 8.569 9.724 ( -1.957 0.000 -7.454) 7.707 9.727 ( 0.673 0.000 -1.422) 1.573 9.809 ( -4.689 0.000 -2.645) 5.383 9.867 ( 5.267 0.000 -4.234) 6.758 10.132 ( -0.769 0.000 0.599) 0.975 10.257 ( 3.445 0.000 -5.351) 6.364 10.487 ( 2.055 0.000 2.142) 2.969 10.512 ( -2.468 0.000 -0.821) 2.601 10.964 ( -3.582 0.000 3.571) 5.058 10.998 ( 1.785 0.000 5.381) 5.669 11.031 ( -3.235 0.000 4.281) 5.366 11.119 ( 9.653 0.000 1.166) 9.723 11.608 ( -7.635 0.000 4.377) 8.801 11.758 ( 4.816 0.000 5.432) 7.259 12.112 ( -0.783 0.000 -3.214) 3.308 12.125 ( -0.753 0.000 -5.678) 5.728 12.219 ( -0.793 0.000 -1.476) 1.676 12.281 ( 0.554 0.000 -4.537) 4.571 12.421 ( -3.655 0.000 -2.594) 4.482 12.440 ( 0.742 0.000 -2.453) 2.563 12.647 ( -0.622 0.000 0.027) 0.623 12.712 ( 2.837 0.000 -2.283) 3.641 12.831 ( 2.479 0.000 1.688) 2.999 12.887 ( -1.326 0.000 -2.367) 2.713 13.095 ( 0.074 0.000 0.885) 0.888 13.096 ( -2.757 0.000 -1.405) 3.095 13.141 ( -1.407 0.000 -0.390) 1.460 13.181 ( 1.900 0.000 -1.258) 2.278 13.400 ( 2.984 0.000 2.546) 3.923 13.411 ( -0.279 0.000 0.029) 0.280 13.477 ( -0.222 0.000 2.672) 2.681 13.553 ( 2.248 0.000 -1.210) 2.553 13.883 ( -0.577 0.000 2.198) 2.273 13.901 ( -0.509 0.000 0.724) 0.885 14.031 ( -0.656 0.000 2.859) 2.933 14.080 ( -0.583 0.000 -0.330) 0.669 17.046 ( -1.741 0.000 -0.770) 1.903 17.056 ( 1.294 0.000 -0.089) 1.297 17.220 ( -0.924 0.000 3.246) 3.375 17.239 ( 0.682 0.000 1.166) 1.350 17.285 ( -0.840 0.000 -0.676) 1.078 17.328 ( 1.316 0.000 0.303) 1.350 17.370 ( 1.946 0.000 1.298) 2.339 17.405 ( -2.323 0.000 -3.513) 4.211 17.666 ( 4.250 0.000 6.974) 8.167 17.700 ( 0.942 0.000 3.460) 3.586 17.721 ( 0.133 0.000 1.020) 1.029 17.790 ( -0.307 0.000 0.274) 0.412 17.802 ( 0.517 0.000 -0.277) 0.587 17.823 ( 1.162 0.000 0.009) 1.162 17.823 ( -3.001 0.000 -7.050) 7.662 17.889 ( -0.755 0.000 -5.692) 5.741 18.383 ( -1.542 0.000 6.319) 6.504 18.423 ( -2.601 0.000 3.245) 4.159 18.485 ( -0.198 0.000 -0.489) 0.528 18.535 ( 1.453 0.000 -1.283) 1.938 18.545 ( -3.211 0.000 4.369) 5.422 18.678 ( -4.709 0.000 4.778) 6.708 18.746 ( 2.980 0.000 -5.574) 6.320 18.854 ( 3.209 0.000 -2.992) 4.388 20.182 ( -0.561 0.000 3.246) 3.295 20.399 ( 0.519 0.000 -10.419) 10.432 20.427 ( 3.297 0.000 6.593) 7.371 20.663 ( 1.185 0.000 -10.354) 10.422 21.567 ( -2.984 0.000 2.000) 3.592 21.739 ( 0.272 0.000 -6.711) 6.717 21.841 ( 0.910 0.000 -0.020) 0.910 21.871 ( 0.130 0.000 -3.307) 3.310 22.235 ( -1.747 0.000 0.830) 1.934 22.268 ( 3.474 0.000 1.705) 3.870 22.739 ( -4.323 0.000 3.796) 5.753 22.770 ( 6.090 0.000 5.766) 8.387 25.263 ( -6.468 0.000 2.482) 6.928 25.311 ( -5.382 0.000 2.081) 5.770 25.433 ( 3.850 0.000 -2.938) 4.843 25.510 ( 7.280 0.000 -3.735) 8.182 29.174 ( -1.363 0.000 -0.204) 1.379 29.181 ( 0.579 0.000 0.515) 0.775 29.288 ( -0.759 0.000 0.085) 0.764 29.308 ( 0.039 0.000 -0.413) 0.415 29.444 ( 0.423 0.000 0.451) 0.619 29.474 ( 0.758 0.000 -1.273) 1.482 29.569 ( 1.188 0.000 1.866) 2.212 29.591 ( -1.690 0.000 -0.738) 1.844 30.959 ( -2.717 0.000 -0.153) 2.722 31.027 ( 4.440 0.000 -0.809) 4.513 31.216 ( -5.899 0.000 -4.782) 7.594 31.238 ( 5.978 0.000 -1.206) 6.099 31.810 ( 1.474 0.000 5.814) 5.998 31.899 ( -4.422 0.000 -6.100) 7.534 31.945 ( 1.965 0.000 0.078) 1.966 32.087 ( -0.056 0.000 -6.851) 6.851 32.116 ( -8.623 0.000 10.316) 13.445 32.271 ( -3.186 0.000 0.535) 3.231 32.403 ( -0.874 0.000 -1.977) 2.161 32.451 ( 2.376 0.000 -3.941) 4.602 32.988 ( -3.672 0.000 3.888) 5.348 33.087 ( -2.911 0.000 -1.280) 3.180 33.309 ( -2.214 0.000 2.793) 3.564 33.335 ( 0.580 0.000 0.747) 0.946 33.341 ( -3.507 0.000 -0.882) 3.616 33.415 ( 17.830 0.000 6.281) 18.904 34.338 ( 4.554 0.000 -5.013) 6.772 34.348 ( -5.395 0.000 -11.674) 12.861 34.615 ( -11.057 0.000 -1.264) 11.129 34.746 ( 11.701 0.000 0.502) 11.711 36.001 ( -7.693 0.000 10.923) 13.360 36.175 ( 8.287 0.000 8.464) 11.845 106.317 ( -0.010 0.000 0.713) 0.714 106.339 ( 0.477 0.000 -0.432) 0.644 106.380 ( 0.340 0.000 0.792) 0.862 106.392 ( -0.183 0.000 -0.409) 0.448 108.399 ( -0.754 0.000 -0.156) 0.770 108.414 ( 0.550 0.000 -0.554) 0.781 108.491 ( 0.777 0.000 1.171) 1.405 108.504 ( -0.528 0.000 -0.210) 0.568 ======================= Grid point 96 (49/84) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -23.680 0.000 0.208) 23.681 1.377 ( -26.792 0.000 3.492) 27.019 1.936 ( 0.271 0.000 0.251) 0.370 2.277 ( -2.143 0.000 -2.818) 3.540 2.351 ( 9.108 0.000 -3.191) 9.651 2.377 ( -7.242 0.000 1.093) 7.324 2.431 ( -28.543 0.000 3.639) 28.774 2.655 ( -2.060 0.000 -3.025) 3.660 2.684 ( 7.589 0.000 -2.461) 7.978 2.803 ( -5.473 0.000 1.180) 5.599 2.814 ( -8.355 0.000 -0.692) 8.383 2.942 ( 11.242 0.000 2.932) 11.618 3.061 ( 1.063 0.000 1.132) 1.553 3.065 ( -4.386 0.000 6.360) 7.726 3.192 ( 5.523 0.000 0.817) 5.583 3.344 ( 11.332 0.000 7.211) 13.432 3.464 ( 5.706 0.000 -6.205) 8.430 3.550 ( 2.147 0.000 5.964) 6.339 3.663 ( -1.451 0.000 -1.301) 1.949 3.689 ( 3.120 0.000 -4.096) 5.149 3.739 ( -7.441 0.000 -4.292) 8.590 3.905 ( 9.003 0.000 2.132) 9.252 4.023 ( -6.469 0.000 -9.698) 11.657 4.072 ( 6.252 0.000 -0.529) 6.274 4.142 ( -0.818 0.000 -0.735) 1.099 4.299 ( 3.801 0.000 -3.088) 4.897 4.316 ( -2.546 0.000 5.053) 5.658 4.402 ( 0.059 0.000 -1.279) 1.280 4.418 ( -3.588 0.000 -8.385) 9.120 4.494 ( 1.686 0.000 4.678) 4.972 4.626 ( -5.693 0.000 3.877) 6.888 4.710 ( -5.072 0.000 2.716) 5.753 4.842 ( 7.306 0.000 3.339) 8.033 4.980 ( 6.149 0.000 1.379) 6.302 5.083 ( -4.443 0.000 3.993) 5.974 5.114 ( -5.617 0.000 -4.968) 7.499 5.274 ( -0.570 0.000 -1.468) 1.575 5.274 ( -7.248 0.000 -2.419) 7.641 5.287 ( -0.480 0.000 -5.033) 5.056 5.386 ( -2.459 0.000 -2.146) 3.263 5.450 ( -4.558 0.000 5.270) 6.967 5.573 ( 2.761 0.000 -3.042) 4.108 5.661 ( 3.961 0.000 -0.271) 3.971 5.697 ( 0.344 0.000 4.861) 4.873 5.740 ( 3.015 0.000 -0.404) 3.041 5.774 ( -7.326 0.000 4.271) 8.480 5.815 ( 3.536 0.000 3.504) 4.978 6.011 ( 8.257 0.000 2.445) 8.612 6.066 ( -1.354 0.000 -0.402) 1.412 6.128 ( 3.778 0.000 2.033) 4.291 6.289 ( -3.760 0.000 0.124) 3.762 6.302 ( 5.677 0.000 -0.177) 5.680 6.334 ( -0.100 0.000 -11.056) 11.057 6.447 ( 2.427 0.000 2.214) 3.285 6.460 ( 4.096 0.000 -1.133) 4.250 6.581 ( 5.025 0.000 -0.368) 5.038 6.611 ( -4.400 0.000 2.191) 4.915 6.704 ( 1.614 0.000 -3.703) 4.040 6.834 ( 0.083 0.000 -0.169) 0.188 6.855 ( 0.785 0.000 1.828) 1.989 6.887 ( 2.860 0.000 -1.617) 3.285 6.914 ( 2.425 0.000 5.438) 5.955 6.975 ( 0.745 0.000 -6.229) 6.274 6.988 ( 1.032 0.000 -4.178) 4.304 7.530 ( -0.932 0.000 -1.154) 1.484 7.687 ( -4.274 0.000 -4.808) 6.433 7.717 ( 3.561 0.000 0.573) 3.607 7.844 ( 4.756 0.000 5.587) 7.337 7.935 ( -0.973 0.000 4.809) 4.906 7.996 ( -1.180 0.000 -3.834) 4.011 8.501 ( -5.814 0.000 -0.273) 5.821 8.599 ( -2.225 0.000 6.071) 6.465 9.282 ( -1.642 0.000 2.678) 3.141 9.323 ( 0.075 0.000 -2.408) 2.409 9.434 ( -2.710 0.000 -0.340) 2.731 9.511 ( 0.145 0.000 -0.437) 0.461 9.660 ( -2.161 0.000 1.345) 2.545 9.711 ( 0.655 0.000 -1.555) 1.687 9.721 ( -3.667 0.000 -1.838) 4.102 9.880 ( 0.899 0.000 -0.272) 0.939 10.138 ( -0.531 0.000 2.055) 2.123 10.239 ( 3.491 0.000 -4.974) 6.077 10.475 ( -0.615 0.000 -0.897) 1.087 10.564 ( 3.598 0.000 2.561) 4.417 10.937 ( -2.864 0.000 0.726) 2.955 11.023 ( -1.446 0.000 -1.930) 2.412 11.049 ( 0.862 0.000 0.828) 1.195 11.288 ( 11.223 0.000 -0.837) 11.254 11.535 ( -9.259 0.000 4.197) 10.165 11.895 ( 6.709 0.000 -0.685) 6.744 12.073 ( 0.064 0.000 0.955) 0.958 12.102 ( 0.473 0.000 1.657) 1.723 12.184 ( -2.770 0.000 -0.223) 2.779 12.255 ( 1.785 0.000 -0.973) 2.033 12.380 ( -1.848 0.000 2.752) 3.315 12.442 ( 0.694 0.000 0.867) 1.111 12.632 ( -0.599 0.000 -0.625) 0.866 12.713 ( 1.651 0.000 -2.530) 3.021 12.840 ( -0.952 0.000 -2.092) 2.299 12.877 ( 1.631 0.000 0.115) 1.635 13.053 ( -2.239 0.000 0.313) 2.261 13.114 ( -1.017 0.000 2.589) 2.782 13.130 ( 0.526 0.000 0.388) 0.654 13.195 ( 1.664 0.000 -0.598) 1.768 13.410 ( 1.622 0.000 -1.500) 2.209 13.475 ( 4.171 0.000 0.882) 4.263 13.526 ( 2.609 0.000 2.207) 3.418 13.577 ( 3.603 0.000 -1.711) 3.989 13.880 ( -2.302 0.000 0.637) 2.388 13.885 ( -1.661 0.000 -0.861) 1.871 14.033 ( -2.766 0.000 1.116) 2.983 14.036 ( -3.301 0.000 -2.159) 3.944 17.021 ( -0.644 0.000 -0.214) 0.679 17.077 ( 1.020 0.000 0.641) 1.204 17.243 ( -0.661 0.000 2.027) 2.132 17.262 ( 0.915 0.000 0.620) 1.105 17.266 ( -0.607 0.000 -0.877) 1.066 17.325 ( -2.678 0.000 -3.149) 4.134 17.341 ( 0.810 0.000 -0.551) 0.980 17.421 ( 1.837 0.000 2.109) 2.797 17.627 ( -7.462 0.000 -9.430) 12.026 17.707 ( -1.610 0.000 -0.017) 1.610 17.725 ( -0.048 0.000 -2.667) 2.668 17.740 ( -1.850 0.000 1.497) 2.380 17.789 ( -0.765 0.000 -1.035) 1.288 17.806 ( -1.035 0.000 -3.159) 3.324 17.835 ( 2.307 0.000 2.211) 3.196 17.870 ( 1.780 0.000 2.825) 3.339 18.416 ( -3.336 0.000 2.248) 4.022 18.464 ( 0.443 0.000 6.872) 6.886 18.471 ( 0.692 0.000 -1.684) 1.820 18.532 ( 1.139 0.000 -2.539) 2.783 18.565 ( -3.045 0.000 5.452) 6.244 18.673 ( -4.457 0.000 5.153) 6.813 18.729 ( 4.006 0.000 -4.727) 6.196 18.857 ( 2.767 0.000 -3.145) 4.189 20.242 ( -0.142 0.000 6.417) 6.418 20.301 ( 1.568 0.000 -6.828) 7.005 20.509 ( -1.326 0.000 -13.974) 14.037 20.552 ( 2.135 0.000 6.364) 6.713 21.566 ( -3.344 0.000 5.111) 6.108 21.680 ( 0.564 0.000 -3.631) 3.675 21.844 ( 0.616 0.000 -1.574) 1.690 21.861 ( 1.042 0.000 1.206) 1.593 22.214 ( -1.174 0.000 -0.692) 1.363 22.320 ( 2.742 0.000 -0.435) 2.776 22.707 ( -2.784 0.000 -2.026) 3.443 22.904 ( 6.199 0.000 1.418) 6.359 25.204 ( -6.434 0.000 3.021) 7.108 25.300 ( -3.021 0.000 6.452) 7.125 25.454 ( 3.983 0.000 -2.437) 4.670 25.582 ( 8.515 0.000 -3.065) 9.049 29.149 ( -1.539 0.000 -0.359) 1.580 29.186 ( -0.485 0.000 0.132) 0.502 29.270 ( -1.509 0.000 -0.366) 1.553 29.291 ( -1.371 0.000 -0.536) 1.472 29.474 ( 2.385 0.000 1.038) 2.602 29.478 ( 1.233 0.000 -0.503) 1.332 29.566 ( -0.634 0.000 -0.441) 0.772 29.617 ( 1.651 0.000 2.095) 2.668 30.933 ( -1.156 0.000 0.533) 1.273 31.089 ( 5.829 0.000 -1.043) 5.921 31.106 ( -4.040 0.000 -1.807) 4.426 31.331 ( 6.216 0.000 2.524) 6.709 31.777 ( -3.810 0.000 -3.072) 4.894 31.915 ( 0.018 0.000 7.036) 7.036 31.966 ( -2.082 0.000 -6.181) 6.522 31.972 ( -0.452 0.000 2.072) 2.120 32.194 ( -5.025 0.000 16.655) 17.396 32.264 ( 0.038 0.000 1.448) 1.449 32.375 ( -2.595 0.000 -0.350) 2.618 32.410 ( 3.099 0.000 -6.687) 7.370 32.972 ( -4.669 0.000 3.055) 5.579 32.994 ( -5.824 0.000 -2.717) 6.426 33.222 ( -3.603 0.000 -3.950) 5.347 33.242 ( -5.613 0.000 -1.997) 5.958 33.397 ( 0.513 0.000 0.930) 1.062 33.767 ( 23.290 0.000 -0.876) 23.307 34.138 ( -7.688 0.000 -4.683) 9.002 34.410 ( 6.296 0.000 4.213) 7.575 34.475 ( -7.567 0.000 0.502) 7.584 34.886 ( 8.147 0.000 -1.408) 8.267 35.954 ( -9.938 0.000 2.069) 10.151 36.327 ( 6.723 0.000 -3.874) 7.759 106.327 ( 0.270 0.000 0.521) 0.587 106.341 ( 0.726 0.000 -0.596) 0.939 106.387 ( 0.175 0.000 -0.414) 0.450 106.399 ( 0.863 0.000 0.786) 1.167 108.387 ( -0.930 0.000 0.120) 0.938 108.415 ( 0.285 0.000 -0.286) 0.404 108.485 ( -0.874 0.000 -1.310) 1.574 108.510 ( 0.368 0.000 0.557) 0.667 ======================= Grid point 97 (50/84) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -23.399 0.000 21.235) 31.599 1.073 ( -27.545 0.000 11.494) 29.847 1.903 ( -51.116 0.000 17.010) 53.872 1.947 ( -4.088 0.000 5.797) 7.093 2.294 ( 0.773 0.000 3.554) 3.637 2.369 ( 2.353 0.000 6.424) 6.842 2.490 ( 8.636 0.000 0.604) 8.658 2.623 ( -0.292 0.000 -0.347) 0.454 2.715 ( 2.690 0.000 -3.048) 4.066 2.809 ( -4.356 0.000 9.189) 10.169 2.846 ( 6.490 0.000 0.186) 6.493 3.105 ( 6.235 0.000 -1.091) 6.330 3.122 ( -1.725 0.000 7.920) 8.106 3.214 ( 14.960 0.000 6.627) 16.362 3.307 ( 2.718 0.000 7.091) 7.594 3.376 ( -2.227 0.000 -3.834) 4.434 3.502 ( 1.509 0.000 -4.475) 4.723 3.519 ( -0.942 0.000 -9.431) 9.478 3.631 ( -1.320 0.000 5.402) 5.561 3.728 ( 10.622 0.000 2.380) 10.885 3.775 ( 1.147 0.000 1.551) 1.929 3.815 ( -7.461 0.000 2.047) 7.737 4.051 ( 3.239 0.000 2.535) 4.113 4.053 ( -3.599 0.000 -6.155) 7.130 4.129 ( 2.573 0.000 -1.961) 3.235 4.312 ( 1.911 0.000 -1.148) 2.230 4.317 ( 1.476 0.000 -3.063) 3.400 4.384 ( -2.163 0.000 9.474) 9.718 4.398 ( 0.082 0.000 2.377) 2.378 4.509 ( 3.031 0.000 -0.605) 3.091 4.654 ( -5.220 0.000 3.359) 6.208 4.778 ( 4.680 0.000 10.410) 11.414 4.901 ( -11.298 0.000 -7.000) 13.291 4.981 ( 5.153 0.000 -1.162) 5.283 5.014 ( -6.491 0.000 -0.418) 6.504 5.043 ( -0.001 0.000 4.552) 4.552 5.150 ( -9.552 0.000 1.288) 9.638 5.214 ( -0.345 0.000 -6.310) 6.319 5.256 ( 3.934 0.000 -2.887) 4.880 5.264 ( -5.468 0.000 -0.869) 5.537 5.539 ( 3.539 0.000 3.074) 4.687 5.544 ( 0.220 0.000 -3.062) 3.070 5.655 ( 1.694 0.000 -7.290) 7.485 5.720 ( -3.039 0.000 0.218) 3.047 5.728 ( -6.584 0.000 4.371) 7.903 5.787 ( 3.014 0.000 1.752) 3.486 5.972 ( 5.992 0.000 6.816) 9.075 6.078 ( 0.424 0.000 -6.020) 6.035 6.093 ( 2.857 0.000 -5.213) 5.944 6.166 ( -4.595 0.000 -3.145) 5.568 6.173 ( 10.987 0.000 -7.176) 13.123 6.250 ( 5.082 0.000 -5.678) 7.620 6.375 ( 6.571 0.000 -2.479) 7.023 6.451 ( 0.818 0.000 -3.521) 3.614 6.483 ( 1.244 0.000 -3.063) 3.306 6.558 ( -5.157 0.000 0.763) 5.213 6.660 ( 3.173 0.000 0.382) 3.196 6.712 ( 4.391 0.000 1.004) 4.504 6.795 ( -8.471 0.000 -6.972) 10.971 6.810 ( -3.860 0.000 -2.854) 4.800 6.854 ( 0.427 0.000 1.879) 1.927 6.922 ( 3.218 0.000 -1.918) 3.746 6.973 ( 2.001 0.000 -1.520) 2.513 6.988 ( -1.566 0.000 -0.947) 1.830 7.541 ( 3.174 0.000 -0.822) 3.279 7.576 ( -1.163 0.000 -3.663) 3.843 7.730 ( -0.025 0.000 -1.965) 1.965 7.897 ( -2.756 0.000 -5.288) 5.963 7.980 ( -0.867 0.000 4.076) 4.167 7.983 ( 5.016 0.000 3.627) 6.190 8.375 ( -5.145 0.000 -5.700) 7.678 8.513 ( -4.453 0.000 -12.104) 12.897 9.288 ( -2.069 0.000 1.913) 2.818 9.292 ( 0.528 0.000 -2.339) 2.398 9.445 ( -2.331 0.000 6.545) 6.947 9.565 ( 1.582 0.000 1.860) 2.441 9.636 ( -3.100 0.000 0.357) 3.120 9.703 ( -0.325 0.000 3.602) 3.617 9.766 ( 2.590 0.000 8.860) 9.231 9.908 ( 0.238 0.000 4.831) 4.837 10.195 ( 3.187 0.000 6.466) 7.208 10.235 ( 4.025 0.000 -3.461) 5.308 10.484 ( 1.353 0.000 2.649) 2.974 10.623 ( 2.600 0.000 -1.049) 2.804 10.885 ( -1.336 0.000 -7.663) 7.779 10.970 ( -1.446 0.000 1.631) 2.180 11.043 ( 0.597 0.000 -3.959) 4.004 11.363 ( 6.977 0.000 -8.655) 11.117 11.494 ( -6.366 0.000 6.889) 9.380 11.892 ( 4.392 0.000 -9.181) 10.178 12.126 ( 0.749 0.000 2.725) 2.826 12.145 ( 0.390 0.000 1.542) 1.591 12.153 ( -4.207 0.000 5.445) 6.881 12.321 ( 3.733 0.000 2.614) 4.557 12.427 ( -1.963 0.000 7.809) 8.052 12.470 ( -1.064 0.000 3.463) 3.623 12.633 ( 0.969 0.000 1.007) 1.398 12.693 ( 1.844 0.000 -4.130) 4.523 12.804 ( -0.954 0.000 -2.137) 2.341 12.872 ( -0.156 0.000 -2.131) 2.136 13.036 ( -1.812 0.000 1.116) 2.128 13.128 ( -0.011 0.000 0.784) 0.784 13.162 ( -0.317 0.000 3.530) 3.544 13.212 ( 1.306 0.000 -0.131) 1.313 13.423 ( 3.743 0.000 -2.212) 4.348 13.527 ( 3.861 0.000 -1.822) 4.270 13.603 ( 4.729 0.000 1.394) 4.931 13.608 ( 4.155 0.000 -2.007) 4.614 13.837 ( -1.912 0.000 -2.434) 3.095 13.838 ( -3.541 0.000 -0.591) 3.590 13.939 ( -5.176 0.000 -3.220) 6.096 13.986 ( -4.059 0.000 -0.565) 4.098 17.030 ( 1.503 0.000 1.214) 1.932 17.096 ( 0.459 0.000 0.515) 0.690 17.241 ( -1.380 0.000 -0.741) 1.566 17.244 ( -0.903 0.000 -3.437) 3.554 17.256 ( 0.515 0.000 0.116) 0.528 17.290 ( -0.430 0.000 1.652) 1.707 17.344 ( 0.249 0.000 0.053) 0.254 17.422 ( -5.333 0.000 -5.412) 7.599 17.464 ( 0.578 0.000 1.588) 1.690 17.598 ( -4.745 0.000 -9.291) 10.433 17.672 ( -2.073 0.000 -0.860) 2.245 17.719 ( -2.206 0.000 0.544) 2.272 17.781 ( 0.338 0.000 0.768) 0.839 17.794 ( -1.257 0.000 1.350) 1.845 17.875 ( 0.589 0.000 0.769) 0.969 17.918 ( -0.305 0.000 2.363) 2.382 18.394 ( -2.927 0.000 1.508) 3.292 18.464 ( 2.050 0.000 -2.619) 3.326 18.499 ( 0.337 0.000 -3.701) 3.717 18.523 ( -0.917 0.000 0.669) 1.135 18.591 ( -3.811 0.000 5.711) 6.866 18.729 ( 1.075 0.000 7.692) 7.766 18.734 ( 4.792 0.000 -4.319) 6.451 18.854 ( 2.425 0.000 -2.750) 3.667 20.216 ( -3.465 0.000 -9.036) 9.677 20.326 ( -1.684 0.000 7.884) 8.062 20.337 ( -0.165 0.000 -2.686) 2.691 20.640 ( -0.002 0.000 4.612) 4.612 21.597 ( -4.354 0.000 7.130) 8.354 21.656 ( 0.709 0.000 -1.621) 1.770 21.850 ( 1.460 0.000 0.198) 1.473 21.915 ( 2.663 0.000 4.109) 4.896 22.195 ( 0.463 0.000 -0.948) 1.055 22.334 ( 1.846 0.000 -2.348) 2.987 22.575 ( -6.026 0.000 -9.623) 11.354 22.972 ( 4.802 0.000 -3.040) 5.684 25.168 ( -5.033 0.000 4.114) 6.500 25.429 ( 4.591 0.000 12.083) 12.925 25.474 ( 3.524 0.000 -2.905) 4.567 25.661 ( 7.662 0.000 -2.453) 8.045 29.127 ( -0.904 0.000 -0.349) 0.969 29.174 ( -0.923 0.000 -0.210) 0.946 29.242 ( -1.289 0.000 -0.755) 1.494 29.251 ( -2.664 0.000 -1.753) 3.189 29.491 ( 0.908 0.000 0.159) 0.921 29.528 ( 3.019 0.000 0.854) 3.137 29.563 ( 0.232 0.000 0.472) 0.526 29.658 ( 0.879 0.000 1.200) 1.487 30.941 ( 0.679 0.000 1.087) 1.282 31.048 ( -3.030 0.000 0.272) 3.042 31.157 ( 6.455 0.000 -2.249) 6.835 31.475 ( 5.862 0.000 6.261) 8.577 31.724 ( -1.720 0.000 0.879) 1.931 31.899 ( -11.235 0.000 2.634) 11.540 31.914 ( 0.645 0.000 0.197) 0.674 32.025 ( 0.156 0.000 -1.881) 1.888 32.148 ( -4.681 0.000 -4.318) 6.369 32.277 ( -0.687 0.000 0.241) 0.729 32.326 ( -3.516 0.000 0.219) 3.522 32.631 ( 12.854 0.000 18.847) 22.813 32.894 ( -2.601 0.000 -2.224) 3.422 32.936 ( -4.466 0.000 1.007) 4.578 33.142 ( -5.750 0.000 -1.057) 5.846 33.155 ( 0.663 0.000 -0.761) 1.010 33.351 ( -4.226 0.000 -3.106) 5.244 33.997 ( 20.219 0.000 -10.778) 22.912 34.075 ( -3.686 0.000 9.991) 10.649 34.426 ( -3.050 0.000 2.906) 4.213 34.607 ( 8.966 0.000 7.837) 11.909 34.911 ( -0.469 0.000 -3.891) 3.919 35.803 ( -8.857 0.000 -3.983) 9.711 36.160 ( -6.707 0.000 -25.892) 26.747 106.336 ( 0.266 0.000 0.236) 0.356 106.342 ( 0.786 0.000 -0.825) 1.139 106.386 ( 0.416 0.000 -0.256) 0.488 106.415 ( 0.430 0.000 -0.232) 0.489 108.378 ( -0.859 0.000 0.453) 0.971 108.416 ( 0.141 0.000 0.010) 0.141 108.446 ( -1.579 0.000 -1.735) 2.346 108.515 ( -0.027 0.000 -0.236) 0.238 ======================= Grid point 98 (51/84) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -15.609 0.000 23.618) 28.310 0.994 ( -24.813 0.000 21.338) 32.726 1.705 ( -24.607 0.000 41.026) 47.839 1.956 ( -3.901 0.000 2.719) 4.755 2.372 ( -2.587 0.000 11.436) 11.724 2.572 ( 11.496 0.000 5.711) 12.837 2.597 ( 4.158 0.000 -3.891) 5.695 2.605 ( 0.026 0.000 -1.866) 1.866 2.665 ( 4.168 0.000 -6.992) 8.140 2.896 ( -4.842 0.000 12.745) 13.634 2.966 ( 8.630 0.000 2.105) 8.883 3.204 ( 5.763 0.000 3.375) 6.679 3.215 ( -1.390 0.000 11.736) 11.818 3.333 ( -4.187 0.000 -6.494) 7.727 3.374 ( 0.175 0.000 -3.178) 3.183 3.408 ( -6.418 0.000 10.215) 12.064 3.441 ( 1.014 0.000 -0.794) 1.288 3.457 ( 8.755 0.000 1.270) 8.846 3.627 ( -14.566 0.000 1.167) 14.613 3.721 ( 7.901 0.000 0.029) 7.901 3.880 ( 3.246 0.000 8.553) 9.148 3.919 ( 6.713 0.000 -1.821) 6.955 4.060 ( -1.657 0.000 0.670) 1.787 4.089 ( 5.820 0.000 4.239) 7.200 4.145 ( 2.379 0.000 4.724) 5.289 4.329 ( 5.409 0.000 -3.137) 6.253 4.334 ( 1.964 0.000 -1.078) 2.240 4.464 ( -1.022 0.000 0.193) 1.040 4.512 ( 1.068 0.000 11.272) 11.322 4.526 ( 4.046 0.000 -0.998) 4.167 4.644 ( -11.372 0.000 -5.172) 12.493 4.651 ( 0.284 0.000 1.331) 1.361 4.922 ( 2.488 0.000 1.784) 3.061 4.950 ( -2.483 0.000 -5.259) 5.816 4.984 ( -11.442 0.000 2.180) 11.648 5.016 ( 1.531 0.000 1.714) 2.298 5.089 ( 2.916 0.000 -6.353) 6.990 5.128 ( -0.340 0.000 -3.037) 3.056 5.235 ( -0.556 0.000 2.877) 2.930 5.350 ( 6.181 0.000 0.263) 6.186 5.465 ( -3.812 0.000 -8.295) 9.129 5.570 ( -3.061 0.000 -2.450) 3.920 5.638 ( 2.745 0.000 1.795) 3.280 5.668 ( 0.373 0.000 -0.555) 0.669 5.716 ( 3.268 0.000 3.652) 4.901 5.850 ( 1.719 0.000 2.802) 3.287 5.857 ( -6.129 0.000 -11.181) 12.751 5.976 ( 1.013 0.000 -15.014) 15.048 6.036 ( -1.435 0.000 -2.230) 2.652 6.146 ( -0.331 0.000 2.581) 2.602 6.201 ( 5.832 0.000 -11.094) 12.533 6.327 ( 2.201 0.000 3.617) 4.234 6.385 ( -1.798 0.000 -4.646) 4.982 6.418 ( -4.272 0.000 -0.147) 4.275 6.467 ( 5.713 0.000 -0.849) 5.776 6.506 ( -2.108 0.000 0.671) 2.212 6.666 ( 0.586 0.000 -2.772) 2.833 6.690 ( 3.317 0.000 1.428) 3.612 6.745 ( 2.070 0.000 -3.522) 4.085 6.791 ( 1.391 0.000 0.518) 1.484 6.881 ( -1.037 0.000 -5.904) 5.994 6.907 ( -0.321 0.000 -2.590) 2.610 6.913 ( -1.521 0.000 4.440) 4.693 6.979 ( -0.386 0.000 -0.093) 0.397 7.511 ( 1.685 0.000 -3.307) 3.711 7.619 ( 2.062 0.000 0.894) 2.247 7.678 ( -1.386 0.000 -3.974) 4.209 7.794 ( -0.523 0.000 -5.910) 5.933 8.008 ( -1.992 0.000 2.276) 3.025 8.081 ( 3.307 0.000 1.701) 3.718 8.238 ( -3.574 0.000 -5.706) 6.733 8.256 ( -8.054 0.000 -9.571) 12.509 9.266 ( -2.851 0.000 0.372) 2.875 9.281 ( 1.202 0.000 -1.471) 1.900 9.492 ( -2.951 0.000 4.801) 5.635 9.578 ( 1.572 0.000 -1.382) 2.093 9.648 ( 0.804 0.000 5.665) 5.722 9.762 ( -0.185 0.000 5.812) 5.815 9.866 ( -2.007 0.000 5.670) 6.015 9.992 ( 3.510 0.000 0.808) 3.602 10.273 ( 5.543 0.000 -0.814) 5.602 10.350 ( 6.974 0.000 -2.009) 7.257 10.588 ( 0.657 0.000 -8.440) 8.465 10.677 ( 11.986 0.000 10.117) 15.685 10.766 ( -0.442 0.000 -5.597) 5.615 10.956 ( 0.273 0.000 -7.457) 7.462 11.002 ( -1.745 0.000 4.592) 4.912 11.238 ( -2.319 0.000 -15.323) 15.497 11.518 ( -3.635 0.000 7.059) 7.940 11.800 ( -1.566 0.000 -7.556) 7.717 12.151 ( -3.163 0.000 4.891) 5.825 12.168 ( 0.194 0.000 3.765) 3.770 12.206 ( -0.362 0.000 5.343) 5.356 12.340 ( -2.170 0.000 -0.964) 2.375 12.492 ( -5.424 0.000 8.643) 10.204 12.499 ( -0.902 0.000 3.550) 3.663 12.684 ( 5.313 0.000 -3.394) 6.304 12.685 ( 1.710 0.000 3.796) 4.164 12.740 ( -3.666 0.000 -1.945) 4.150 12.832 ( 0.190 0.000 -3.560) 3.565 13.029 ( -1.049 0.000 1.234) 1.620 13.128 ( -0.718 0.000 -0.112) 0.727 13.194 ( -1.316 0.000 2.631) 2.942 13.219 ( 0.780 0.000 -1.362) 1.569 13.456 ( 4.615 0.000 -2.022) 5.038 13.543 ( 2.116 0.000 -1.885) 2.834 13.632 ( 2.872 0.000 -2.375) 3.727 13.665 ( 1.854 0.000 -0.934) 2.076 13.776 ( -3.722 0.000 -1.218) 3.917 13.781 ( -0.152 0.000 -3.294) 3.298 13.838 ( -2.486 0.000 -1.488) 2.897 13.920 ( -3.567 0.000 -0.806) 3.657 17.101 ( -0.230 0.000 -0.042) 0.234 17.102 ( 4.378 0.000 0.935) 4.477 17.208 ( -1.489 0.000 -1.028) 1.810 17.225 ( 2.462 0.000 -0.713) 2.563 17.266 ( 0.930 0.000 -0.132) 0.940 17.301 ( -1.596 0.000 1.859) 2.450 17.348 ( -1.210 0.000 1.018) 1.581 17.406 ( 5.031 0.000 2.237) 5.506 17.432 ( -2.494 0.000 -3.174) 4.037 17.472 ( -0.887 0.000 -0.030) 0.888 17.635 ( -1.444 0.000 -1.219) 1.889 17.697 ( -2.050 0.000 0.564) 2.126 17.796 ( -1.432 0.000 1.845) 2.336 17.802 ( 1.130 0.000 0.745) 1.354 17.878 ( -0.670 0.000 -0.061) 0.673 17.918 ( -1.880 0.000 0.247) 1.897 18.375 ( -2.203 0.000 1.075) 2.451 18.437 ( 0.693 0.000 -4.143) 4.200 18.467 ( -4.841 0.000 -1.726) 5.140 18.476 ( 2.130 0.000 -2.857) 3.563 18.603 ( -4.368 0.000 4.829) 6.512 18.749 ( 5.247 0.000 -4.297) 6.782 18.790 ( -3.009 0.000 1.412) 3.324 18.858 ( 2.525 0.000 -2.017) 3.231 20.196 ( 9.809 0.000 4.379) 10.742 20.380 ( -4.786 0.000 6.981) 8.464 20.388 ( 4.073 0.000 3.289) 5.235 20.662 ( -3.039 0.000 2.036) 3.658 21.605 ( -6.036 0.000 5.464) 8.142 21.658 ( 1.558 0.000 -0.596) 1.668 21.891 ( 2.471 0.000 1.929) 3.135 22.044 ( 5.463 0.000 5.106) 7.478 22.210 ( 0.426 0.000 0.663) 0.788 22.314 ( 0.917 0.000 -3.641) 3.755 22.345 ( -8.648 0.000 -4.477) 9.738 22.954 ( 1.670 0.000 -7.040) 7.236 25.169 ( -3.492 0.000 5.237) 6.294 25.473 ( 2.589 0.000 -3.969) 4.739 25.651 ( 6.606 0.000 4.814) 8.173 25.728 ( 5.668 0.000 -1.844) 5.961 29.115 ( -0.066 0.000 -0.351) 0.357 29.157 ( -1.633 0.000 -0.736) 1.791 29.176 ( -3.707 0.000 -0.614) 3.757 29.217 ( -0.627 0.000 -1.026) 1.203 29.507 ( 0.596 0.000 0.685) 0.908 29.564 ( 1.470 0.000 -0.483) 1.547 29.581 ( 0.399 0.000 1.339) 1.397 29.668 ( -0.421 0.000 0.165) 0.452 30.981 ( 2.450 0.000 1.764) 3.019 31.023 ( -2.707 0.000 1.949) 3.335 31.199 ( 5.330 0.000 -4.205) 6.789 31.559 ( -13.524 0.000 -8.514) 15.981 31.654 ( -1.615 0.000 4.136) 4.440 31.749 ( 1.430 0.000 2.987) 3.311 31.955 ( -6.755 0.000 5.344) 8.613 31.989 ( 3.832 0.000 6.110) 7.212 32.182 ( -0.622 0.000 5.996) 6.028 32.232 ( -1.857 0.000 -2.919) 3.460 32.316 ( -1.966 0.000 3.775) 4.256 32.868 ( -3.501 0.000 -0.288) 3.513 32.871 ( 2.192 0.000 -1.787) 2.829 32.891 ( 4.117 0.000 -4.258) 5.923 33.060 ( -4.557 0.000 0.186) 4.561 33.180 ( -3.946 0.000 -2.208) 4.522 33.371 ( 12.684 0.000 7.323) 14.647 34.088 ( 15.902 0.000 -12.947) 20.506 34.212 ( -5.169 0.000 3.293) 6.129 34.472 ( 3.094 0.000 10.764) 11.200 34.672 ( -8.630 0.000 -9.972) 13.187 34.889 ( 6.425 0.000 3.924) 7.529 35.633 ( -6.525 0.000 -4.985) 8.211 35.641 ( -13.109 0.000 -14.935) 19.872 106.339 ( -0.083 0.000 -0.070) 0.108 106.340 ( 0.505 0.000 -0.877) 1.012 106.391 ( 0.512 0.000 -0.039) 0.513 106.403 ( -1.064 0.000 -0.178) 1.078 108.376 ( -0.555 0.000 0.727) 0.915 108.412 ( -0.101 0.000 -0.428) 0.440 108.427 ( 0.152 0.000 0.502) 0.524 108.504 ( -0.357 0.000 -0.913) 0.980 ======================= Grid point 99 (52/84) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -3.289 13.007 21.899) 25.681 1.384 ( -0.865 16.039 21.477) 26.819 1.892 ( -0.550 -1.048 -2.799) 3.039 2.082 ( -3.570 5.531 12.482) 14.112 2.397 ( -2.628 -7.809 7.581) 11.196 2.528 ( 0.144 0.699 5.739) 5.783 2.560 ( 8.974 -8.933 -6.194) 14.096 2.670 ( 3.282 2.077 -0.179) 3.888 2.790 ( 3.038 -0.005 3.668) 4.763 2.883 ( -3.564 -3.819 2.810) 5.932 3.004 ( 3.555 -7.841 -3.712) 9.376 3.049 ( -2.105 -3.493 -1.829) 4.469 3.247 ( -0.641 -4.696 0.480) 4.764 3.342 ( 3.040 -1.009 2.553) 4.096 3.446 ( -1.463 -1.919 14.578) 14.776 3.457 ( 3.387 -2.323 17.726) 18.195 3.547 ( -7.635 5.014 11.479) 14.670 3.628 ( -0.267 3.968 5.977) 7.179 3.660 ( 4.657 5.196 5.121) 8.655 3.832 ( 1.473 1.302 4.856) 5.239 3.939 ( 3.140 -0.091 -3.709) 4.861 3.968 ( 1.700 -1.489 0.483) 2.310 4.043 ( -3.872 -2.329 4.504) 6.380 4.118 ( -0.144 -2.932 1.773) 3.429 4.165 ( -1.557 -2.870 -6.408) 7.191 4.211 ( 0.667 -2.053 -5.735) 6.127 4.340 ( -0.454 -1.860 -3.042) 3.594 4.465 ( -2.495 1.544 -6.634) 7.254 4.518 ( 3.346 1.527 0.960) 3.801 4.626 ( 1.750 3.117 0.181) 3.580 4.731 ( 0.541 3.170 2.199) 3.896 4.752 ( 4.310 4.430 7.486) 9.708 4.840 ( -1.853 3.932 -0.536) 4.379 4.885 ( -3.286 -1.521 -0.563) 3.664 4.993 ( -1.956 5.820 1.628) 6.352 5.019 ( -0.949 4.089 -2.755) 5.021 5.094 ( 0.525 0.999 -5.582) 5.695 5.101 ( 3.958 -2.386 -0.321) 4.633 5.197 ( -2.761 -3.551 -3.078) 5.451 5.301 ( 0.150 -0.152 -0.512) 0.555 5.355 ( -2.925 2.499 -2.988) 4.871 5.503 ( -7.395 9.180 -5.387) 12.961 5.578 ( -4.955 -4.048 -2.582) 6.900 5.596 ( 2.414 -5.571 -0.330) 6.081 5.760 ( 3.369 -2.742 -11.785) 12.561 5.794 ( 1.535 2.386 -4.371) 5.211 5.897 ( 5.633 -4.034 -1.702) 7.135 5.936 ( -5.447 -4.428 -3.335) 7.772 5.979 ( 2.342 1.808 -0.496) 3.000 6.015 ( -0.652 -2.317 0.748) 2.521 6.191 ( 0.659 3.724 -0.416) 3.805 6.270 ( -4.938 -3.459 3.138) 6.796 6.346 ( 1.089 -0.879 -0.786) 1.605 6.366 ( 1.884 -3.547 -2.207) 4.583 6.450 ( 0.518 -4.700 -0.408) 4.746 6.513 ( 2.048 -3.197 -1.821) 4.211 6.662 ( 1.828 0.200 -1.971) 2.696 6.678 ( -1.431 -4.114 -4.897) 6.554 6.771 ( -1.147 2.216 -0.152) 2.500 6.807 ( -2.675 2.782 -3.106) 4.954 6.849 ( 2.979 3.077 0.253) 4.290 6.931 ( 3.075 -0.299 2.057) 3.712 6.993 ( 1.984 9.549 -2.851) 10.161 7.078 ( 3.677 4.469 -1.564) 5.995 7.490 ( 0.878 -1.290 -1.319) 2.043 7.552 ( -3.266 -2.163 -2.075) 4.433 7.699 ( -0.834 4.249 -3.170) 5.367 7.736 ( -0.294 0.484 -4.244) 4.282 7.939 ( -4.857 0.592 -0.433) 4.912 8.096 ( 0.753 -2.205 -4.202) 4.804 8.131 ( -0.399 1.612 1.039) 1.959 8.187 ( -2.006 2.102 -1.787) 3.412 9.237 ( -2.036 0.631 0.423) 2.173 9.282 ( 1.576 -0.291 -1.106) 1.947 9.506 ( -1.228 1.027 1.698) 2.334 9.580 ( 1.751 -0.636 -0.960) 2.096 9.786 ( 0.208 1.166 8.899) 8.977 9.849 ( 0.414 -0.143 6.412) 6.427 9.915 ( -1.532 2.445 5.034) 5.802 10.036 ( 3.797 0.233 -0.582) 3.848 10.321 ( 3.322 -2.429 -0.442) 4.139 10.374 ( 4.061 -0.435 -1.424) 4.325 10.462 ( -0.422 -0.321 -9.762) 9.776 10.603 ( -10.181 -4.018 -7.248) 13.127 10.721 ( 0.836 -0.519 0.016) 0.984 10.837 ( -1.296 -7.944 1.515) 8.190 11.063 ( 2.428 1.052 -7.314) 7.778 11.106 ( 5.508 0.088 -6.129) 8.240 11.564 ( -2.104 0.456 4.777) 5.240 11.672 ( -3.190 -2.407 -0.762) 4.068 12.173 ( -1.439 0.179 4.874) 5.085 12.238 ( 1.285 -0.288 3.064) 3.335 12.276 ( -2.685 0.977 4.191) 5.072 12.327 ( 1.406 1.791 0.840) 2.428 12.482 ( -4.367 -0.406 5.077) 6.709 12.545 ( 0.356 -0.281 3.383) 3.413 12.683 ( -1.550 0.630 -0.796) 1.853 12.735 ( 1.610 -1.680 2.009) 3.074 12.768 ( 5.174 0.977 -0.344) 5.276 12.821 ( 1.001 1.179 -2.192) 2.682 13.030 ( 0.250 -0.645 1.858) 1.982 13.120 ( -1.401 0.925 -0.805) 1.862 13.167 ( -0.645 -2.292 -0.754) 2.498 13.184 ( -0.835 -1.160 -1.935) 2.405 13.508 ( 1.973 1.649 -0.997) 2.758 13.531 ( -1.344 0.814 -1.743) 2.347 13.610 ( -2.534 -0.769 -1.661) 3.126 13.624 ( -0.922 -1.074 -1.627) 2.156 13.717 ( -0.825 1.367 -0.741) 1.760 13.773 ( 2.361 1.065 -2.899) 3.888 13.845 ( 2.505 -1.416 0.121) 2.880 13.863 ( -0.836 -0.757 -1.052) 1.542 17.091 ( -0.496 -0.148 0.055) 0.521 17.106 ( -1.134 -0.505 -1.195) 1.723 17.151 ( -1.714 -2.290 -0.540) 2.911 17.187 ( 1.240 -3.297 -1.222) 3.728 17.287 ( -0.863 1.366 0.399) 1.665 17.313 ( -0.904 1.345 -0.460) 1.685 17.392 ( 2.503 1.194 1.985) 3.410 17.435 ( 3.328 -0.369 0.466) 3.381 17.469 ( 1.794 1.157 1.001) 2.358 17.566 ( 5.668 -1.623 0.910) 5.965 17.603 ( 1.907 0.747 -1.070) 2.311 17.667 ( -2.983 -0.501 -1.024) 3.193 17.798 ( -0.904 -0.284 1.743) 1.984 17.825 ( 1.158 -0.680 0.682) 1.506 17.862 ( -1.171 0.370 -0.402) 1.292 17.882 ( -1.095 -0.044 -0.923) 1.433 18.357 ( -2.659 0.464 0.067) 2.700 18.379 ( -2.525 -0.082 0.949) 2.698 18.423 ( 1.370 1.191 -2.845) 3.374 18.470 ( 1.921 0.078 -3.095) 3.644 18.596 ( -4.682 0.468 4.252) 6.342 18.711 ( -5.842 -2.909 5.014) 8.229 18.788 ( 4.486 1.899 -4.002) 6.305 18.873 ( 2.492 -0.101 -2.206) 3.329 20.337 ( -3.744 -2.095 3.903) 5.800 20.411 ( 12.766 -4.416 0.905) 13.538 20.540 ( 2.642 2.872 4.552) 5.996 20.621 ( -3.489 0.710 0.583) 3.608 21.608 ( -4.342 1.996 4.133) 6.318 21.688 ( 2.543 0.138 0.450) 2.586 21.966 ( 2.825 -0.123 3.101) 4.197 22.050 ( -6.627 -3.310 -0.488) 7.423 22.156 ( 3.517 0.107 1.986) 4.041 22.238 ( 1.163 -2.317 2.613) 3.681 22.464 ( 1.115 6.259 -0.130) 6.359 22.802 ( -2.024 -3.831 -9.698) 10.622 25.214 ( -2.381 1.517 5.931) 6.568 25.430 ( 0.945 -2.643 -2.660) 3.867 25.631 ( -2.547 -4.312 3.196) 5.941 25.740 ( 2.440 -2.896 -1.956) 4.262 29.093 ( -0.532 -0.859 -0.037) 1.011 29.109 ( 0.255 -1.043 -0.756) 1.314 29.193 ( 0.102 2.158 0.113) 2.163 29.216 ( 0.168 1.243 -0.844) 1.512 29.536 ( 0.371 1.051 0.777) 1.358 29.561 ( -0.205 0.103 -0.091) 0.247 29.618 ( -0.131 0.988 1.143) 1.517 29.655 ( -0.925 -0.320 -0.123) 0.987 31.024 ( -1.449 0.311 2.879) 3.238 31.054 ( 3.740 -0.667 2.648) 4.631 31.207 ( 0.372 1.237 -3.558) 3.785 31.271 ( -4.637 -0.132 -4.895) 6.744 31.679 ( -0.411 -1.773 4.690) 5.030 31.814 ( -3.913 -4.560 -0.007) 6.008 31.972 ( 2.126 3.961 6.865) 8.206 32.139 ( 2.211 -2.645 4.878) 5.973 32.243 ( -2.737 6.776 3.417) 8.068 32.288 ( -1.044 2.551 8.630) 9.060 32.460 ( 2.091 9.319 -0.064) 9.551 32.708 ( -1.262 -4.149 -5.164) 6.743 32.849 ( -1.894 1.422 -0.895) 2.532 32.896 ( -0.618 1.135 -2.026) 2.403 33.112 ( -0.613 6.659 -2.273) 7.063 33.151 ( 0.873 5.483 -3.383) 6.501 33.607 ( 3.998 -5.797 5.660) 9.035 33.996 ( 0.835 -9.980 -6.233) 11.796 34.054 ( 0.736 -1.548 -6.838) 7.049 34.231 ( -8.105 -3.492 -9.515) 12.978 34.816 ( -0.071 11.009 6.028) 12.552 35.051 ( 7.900 3.416 -1.947) 8.824 35.454 ( -6.939 -3.705 -2.683) 8.311 35.504 ( 5.680 -4.945 -2.756) 8.019 106.343 ( 0.282 0.533 -0.393) 0.720 106.346 ( -0.205 1.101 -0.604) 1.273 106.388 ( -0.412 -0.364 0.332) 0.642 106.397 ( -0.014 -0.156 -0.098) 0.185 108.391 ( -0.157 0.934 0.330) 1.003 108.413 ( 0.842 -0.011 -0.521) 0.990 108.443 ( 0.442 0.298 0.490) 0.724 108.480 ( -0.468 -0.434 -1.138) 1.305 ======================= Grid point 100 (53/84) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 9.931 7.200 19.950) 23.420 1.694 ( 5.437 9.940 20.205) 23.165 1.870 ( 11.156 2.358 -10.491) 15.494 1.994 ( 1.821 2.943 -15.011) 15.405 2.421 ( -3.866 -7.294 6.196) 10.321 2.532 ( 1.634 -1.678 -7.442) 7.802 2.652 ( 2.834 0.939 0.513) 3.030 2.751 ( 0.985 -2.187 1.329) 2.742 2.809 ( 4.180 -4.768 -2.756) 6.914 2.962 ( -2.872 -2.304 -0.139) 3.684 3.036 ( 9.159 -2.337 9.240) 13.218 3.042 ( 0.189 -3.986 -0.016) 3.990 3.232 ( -4.474 -3.061 7.122) 8.951 3.427 ( 5.324 -4.791 0.329) 7.170 3.593 ( -6.157 2.916 8.093) 10.579 3.609 ( -7.798 -3.619 8.016) 11.755 3.663 ( 1.611 4.647 1.976) 5.300 3.697 ( -0.161 -4.160 12.072) 12.770 3.832 ( -2.750 2.381 -5.299) 6.427 3.861 ( 1.953 -0.006 11.165) 11.334 3.871 ( 2.490 2.411 -1.143) 3.650 3.959 ( -3.968 -0.580 2.680) 4.823 4.002 ( 1.718 -1.370 -19.630) 19.752 4.062 ( -3.622 3.015 -0.038) 4.713 4.111 ( 1.340 -0.370 -2.331) 2.714 4.150 ( -1.675 -2.665 8.804) 9.349 4.239 ( -3.456 0.736 -7.158) 7.983 4.407 ( 3.289 -1.059 -6.743) 7.577 4.573 ( 1.181 5.700 -0.073) 5.822 4.686 ( -1.056 2.842 3.925) 4.959 4.703 ( 9.197 5.608 -4.201) 11.562 4.777 ( -2.645 -0.707 -0.844) 2.865 4.842 ( -0.884 -0.958 -2.528) 2.845 4.858 ( 1.993 4.506 0.841) 4.998 4.929 ( -4.308 7.932 2.002) 9.245 5.043 ( -0.710 0.800 1.706) 2.014 5.066 ( -5.058 -4.275 -6.156) 9.042 5.138 ( 1.149 -5.592 3.030) 6.462 5.166 ( 3.351 3.736 2.799) 5.746 5.259 ( -3.048 -2.283 -2.813) 4.735 5.355 ( -4.250 5.270 1.392) 6.912 5.404 ( 4.930 4.123 6.670) 9.262 5.494 ( 0.692 -3.750 -5.556) 6.739 5.638 ( -0.211 -3.059 -2.381) 3.882 5.727 ( 6.318 0.348 -4.432) 7.725 5.735 ( -3.395 -6.523 -2.718) 7.840 5.778 ( -2.915 0.400 0.468) 2.979 5.904 ( -1.099 -2.287 -0.594) 2.606 5.973 ( -2.069 2.517 -2.348) 4.016 6.053 ( -4.419 2.958 -1.845) 5.628 6.161 ( 0.325 2.235 1.140) 2.530 6.263 ( 0.030 -1.526 1.236) 1.965 6.334 ( -0.822 -4.495 -2.320) 5.125 6.394 ( -1.017 -4.931 -0.181) 5.038 6.462 ( 4.124 -4.357 2.478) 6.491 6.524 ( -0.322 -1.471 -0.902) 1.755 6.586 ( -2.887 -1.366 -3.592) 4.807 6.634 ( -0.859 -0.846 -0.004) 1.206 6.747 ( -1.012 -0.835 -0.899) 1.591 6.754 ( -2.186 0.010 1.055) 2.427 6.902 ( -0.877 8.227 -5.719) 10.057 6.923 ( 3.930 4.750 -0.045) 6.165 7.025 ( 2.364 -0.175 2.068) 3.145 7.118 ( 6.139 2.419 -4.483) 7.977 7.480 ( -2.927 -2.352 -1.241) 3.955 7.501 ( -0.581 -2.162 2.121) 3.084 7.618 ( -5.204 3.500 -0.156) 6.273 7.688 ( -1.950 -0.187 -2.138) 2.900 7.922 ( -0.670 2.690 3.352) 4.350 8.063 ( 2.857 -1.046 -4.181) 5.171 8.119 ( -2.346 0.825 1.031) 2.692 8.182 ( 0.537 0.753 0.836) 1.247 9.227 ( -0.856 1.070 1.132) 1.778 9.296 ( 2.351 -0.493 -1.067) 2.629 9.517 ( -0.296 1.243 1.514) 1.981 9.587 ( 2.274 -0.442 -2.098) 3.125 9.878 ( -1.050 -0.376 5.729) 5.836 9.906 ( -2.308 -0.041 4.389) 4.959 9.979 ( 3.325 2.014 2.160) 4.447 10.070 ( 3.369 1.280 -2.914) 4.635 10.298 ( -0.519 0.001 -2.202) 2.262 10.328 ( -1.715 0.379 -6.225) 6.468 10.374 ( -8.266 -1.905 -4.659) 9.678 10.518 ( 6.005 -3.367 4.979) 8.496 10.739 ( 0.617 0.107 2.335) 2.418 10.781 ( -1.121 -1.388 -4.497) 4.838 10.936 ( -6.412 0.450 -3.110) 7.141 11.157 ( 5.389 -5.982 -4.820) 9.384 11.595 ( -1.765 -0.254 4.121) 4.490 11.645 ( -1.735 -1.537 1.030) 2.536 12.219 ( 0.175 0.600 3.722) 3.775 12.279 ( 1.754 -0.938 0.364) 2.022 12.304 ( 0.320 0.141 2.589) 2.612 12.363 ( 1.122 0.608 0.535) 1.384 12.498 ( -0.673 2.009 3.785) 4.338 12.604 ( 1.971 -0.505 2.198) 2.995 12.635 ( -3.152 1.693 -1.025) 3.722 12.758 ( 1.835 -1.201 -1.747) 2.804 12.807 ( 2.254 -0.175 -1.495) 2.711 12.857 ( 3.985 -0.969 0.151) 4.104 13.068 ( -0.140 -0.513 2.357) 2.416 13.084 ( -1.102 0.221 -1.394) 1.790 13.136 ( -1.399 -0.462 -0.899) 1.726 13.167 ( 1.087 -2.211 -0.336) 2.487 13.470 ( -3.593 1.668 -1.399) 4.201 13.503 ( -1.949 0.699 0.048) 2.071 13.540 ( -4.799 -0.429 0.828) 4.888 13.612 ( -0.447 -2.212 0.039) 2.257 13.723 ( 1.970 3.098 -0.256) 3.680 13.778 ( 2.798 0.787 -2.211) 3.652 13.835 ( 0.566 -0.651 -0.936) 1.273 13.902 ( 4.155 -1.723 -0.692) 4.551 17.075 ( -1.488 -0.758 0.091) 1.673 17.092 ( -0.321 -0.123 0.813) 0.883 17.137 ( -0.265 -1.936 0.181) 1.962 17.191 ( 1.329 -2.170 -0.761) 2.656 17.281 ( -0.718 1.647 0.494) 1.864 17.305 ( -0.120 0.611 0.304) 0.693 17.422 ( -1.016 0.574 -0.741) 1.383 17.439 ( 1.471 0.404 0.169) 1.534 17.506 ( -1.514 0.389 -4.174) 4.457 17.560 ( 0.391 -0.759 -1.391) 1.632 17.592 ( 0.297 1.045 -1.291) 1.687 17.707 ( 4.923 -1.162 0.110) 5.059 17.815 ( 0.181 -0.656 0.981) 1.194 17.841 ( 0.517 -1.168 -0.262) 1.304 17.853 ( 0.507 1.002 1.106) 1.576 17.886 ( 2.426 -0.122 0.270) 2.444 18.330 ( -1.681 1.005 1.002) 2.200 18.371 ( -1.338 0.304 1.434) 1.985 18.418 ( 1.905 0.968 -1.534) 2.631 18.465 ( 2.191 -0.496 -2.030) 3.027 18.585 ( -4.370 1.574 4.149) 6.228 18.692 ( -5.915 -1.568 5.083) 7.954 18.804 ( 4.393 1.438 -3.480) 5.786 18.878 ( 2.312 -0.698 -2.359) 3.376 20.281 ( -6.690 0.609 0.358) 6.727 20.466 ( -2.763 -4.211 -2.479) 5.613 20.638 ( 5.248 1.336 0.218) 5.420 20.665 ( 7.878 -0.072 1.146) 7.961 21.608 ( -2.230 2.184 3.040) 4.358 21.741 ( 4.198 -0.540 0.330) 4.245 21.963 ( -4.308 -0.192 -0.170) 4.316 22.061 ( 3.761 -1.489 3.372) 5.266 22.207 ( 0.457 1.111 0.704) 1.392 22.223 ( -0.606 1.441 -2.945) 3.335 22.537 ( 0.201 -0.817 7.883) 7.928 22.615 ( -5.265 -2.190 -10.654) 12.084 25.260 ( -2.049 1.404 5.794) 6.304 25.401 ( 1.126 -1.031 -3.660) 3.965 25.606 ( -5.920 -2.432 2.833) 6.999 25.724 ( -0.895 -3.543 -2.289) 4.312 29.096 ( 0.982 -0.615 -0.103) 1.163 29.120 ( 1.905 -1.329 -0.150) 2.328 29.201 ( 0.631 1.675 0.070) 1.791 29.221 ( 1.863 1.429 -0.517) 2.404 29.542 ( -1.197 0.646 0.098) 1.364 29.549 ( -0.537 0.823 0.084) 0.986 29.630 ( -0.721 0.253 1.252) 1.467 29.634 ( -1.392 0.064 -0.082) 1.396 31.043 ( -0.936 0.894 2.308) 2.646 31.110 ( -2.815 0.797 -1.987) 3.536 31.158 ( 3.614 -1.132 -0.384) 3.807 31.245 ( 5.040 1.170 0.117) 5.176 31.725 ( -1.937 -0.648 3.680) 4.209 31.790 ( 0.361 -5.819 0.820) 5.888 32.059 ( -1.611 2.410 4.476) 5.332 32.134 ( -0.869 -0.055 -4.006) 4.100 32.277 ( -1.809 5.412 5.909) 8.215 32.440 ( 4.368 3.700 6.027) 8.313 32.475 ( -0.670 6.347 2.132) 6.729 32.604 ( 0.021 1.075 -7.260) 7.339 32.817 ( -0.715 0.882 0.301) 1.175 32.881 ( 0.828 0.486 -0.220) 0.985 33.129 ( 3.030 2.235 0.642) 3.819 33.145 ( 3.319 5.245 -2.666) 6.755 33.578 ( -12.907 -6.469 5.215) 15.350 33.718 ( -16.589 -8.009 -12.064) 22.020 34.164 ( 12.869 -3.111 2.687) 13.510 34.235 ( 14.194 -2.508 -0.774) 14.435 34.889 ( -0.407 6.873 5.540) 8.837 35.074 ( 6.008 5.969 -9.653) 12.842 35.326 ( -9.526 -3.835 2.151) 10.492 35.548 ( 4.312 -5.506 -3.660) 7.893 106.331 ( -0.814 0.809 -0.195) 1.164 106.346 ( 0.294 0.629 -0.201) 0.723 106.383 ( -0.756 -0.309 0.244) 0.853 106.400 ( 0.204 -0.438 0.067) 0.488 108.396 ( 0.160 0.587 0.362) 0.708 108.417 ( 0.880 0.078 -0.849) 1.225 108.458 ( 0.483 -0.099 0.626) 0.797 108.460 ( -0.277 -0.135 -0.837) 0.892 ======================= Grid point 101 (54/84) ======================= q-point: ( 0.22 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 12.947 0.330 -8.586) 15.539 1.873 ( 11.346 9.300 -11.162) 18.434 2.012 ( 16.571 5.367 2.993) 17.674 2.042 ( 7.637 4.207 16.452) 18.620 2.455 ( -4.805 0.152 4.570) 6.633 2.471 ( 2.352 -2.513 -2.142) 4.054 2.657 ( 2.210 1.731 -4.381) 5.203 2.675 ( 2.877 4.331 -10.161) 11.415 2.902 ( -1.296 -5.413 5.198) 7.616 2.920 ( -6.315 -2.863 2.529) 7.381 3.035 ( 0.549 -5.792 -3.740) 6.917 3.127 ( 10.799 -11.620 -9.241) 18.358 3.271 ( -3.506 -1.084 -1.122) 3.838 3.436 ( -6.057 -4.977 -4.335) 8.958 3.463 ( 1.693 -1.114 -7.859) 8.116 3.519 ( -8.489 -3.201 -0.390) 9.081 3.645 ( -2.539 -0.331 -7.695) 8.110 3.720 ( -5.090 4.352 -3.902) 7.751 3.764 ( -6.589 1.535 -3.475) 7.605 3.836 ( -0.585 -0.190 -2.850) 2.916 3.874 ( 0.857 -3.338 3.309) 4.778 3.907 ( 1.037 -0.858 -0.434) 1.414 4.004 ( -0.424 4.723 -2.793) 5.503 4.076 ( 3.254 -0.612 3.670) 4.943 4.091 ( -3.773 2.588 0.121) 4.577 4.160 ( 0.778 6.222 5.164) 8.123 4.276 ( 0.127 6.066 7.216) 9.428 4.380 ( 4.848 -2.256 -4.953) 7.289 4.611 ( 0.351 1.360 0.868) 1.651 4.665 ( -0.796 6.056 0.909) 6.175 4.758 ( -0.213 5.134 -1.181) 5.272 4.804 ( 3.772 2.339 -4.362) 6.223 4.837 ( -1.856 -1.785 -0.732) 2.677 4.844 ( -0.246 -2.281 0.397) 2.328 4.896 ( -4.592 -1.747 -2.639) 5.577 4.984 ( 8.074 -3.350 3.814) 9.538 5.095 ( 1.002 2.317 3.871) 4.621 5.141 ( 0.973 2.217 0.681) 2.515 5.184 ( 0.916 -6.215 4.587) 7.779 5.315 ( 1.858 3.985 1.059) 4.523 5.360 ( -2.595 -2.558 6.170) 7.165 5.459 ( -1.210 -5.552 1.284) 5.825 5.547 ( -1.463 -2.987 -0.451) 3.357 5.598 ( 2.184 4.107 9.043) 10.169 5.689 ( -2.554 -4.559 4.274) 6.750 5.768 ( -2.244 3.259 -2.128) 4.493 5.784 ( 0.400 1.999 -0.775) 2.181 5.867 ( -9.539 3.261 0.715) 10.107 5.924 ( 5.464 -0.462 -2.946) 6.225 5.977 ( 2.938 4.339 3.051) 6.064 6.168 ( -0.675 2.970 -1.385) 3.346 6.226 ( -4.979 -5.543 -1.253) 7.556 6.317 ( -1.254 -2.852 0.447) 3.147 6.383 ( -2.397 0.093 -1.747) 2.967 6.414 ( -8.207 -3.251 -1.790) 9.007 6.505 ( 0.027 -5.157 -1.503) 5.371 6.552 ( -3.471 0.553 4.625) 5.809 6.648 ( 1.508 -5.414 1.528) 5.824 6.758 ( 0.814 0.702 1.945) 2.222 6.778 ( 2.183 -0.907 0.439) 2.404 6.858 ( 5.313 8.634 -1.260) 10.216 6.954 ( 2.474 4.702 -2.934) 6.070 7.068 ( 2.459 1.342 -0.514) 2.848 7.116 ( 3.882 1.387 -6.940) 8.072 7.432 ( -1.102 -1.956 -0.636) 2.333 7.517 ( -3.236 -3.816 2.376) 5.539 7.598 ( -3.378 1.773 6.439) 7.484 7.632 ( -4.054 1.712 1.715) 4.723 7.962 ( -1.183 1.774 3.211) 3.855 8.075 ( 2.136 0.505 -0.082) 2.196 8.108 ( -0.327 -1.517 0.809) 1.750 8.212 ( 0.531 0.002 2.946) 2.993 9.238 ( -0.107 1.254 1.300) 1.810 9.320 ( 2.644 -0.771 -0.738) 2.851 9.532 ( -0.005 1.237 1.047) 1.621 9.598 ( 2.655 -0.305 -1.296) 2.970 9.871 ( -0.772 0.362 -3.001) 3.120 9.934 ( -0.234 -1.598 -0.201) 1.628 9.998 ( 1.663 0.855 -7.262) 7.499 10.044 ( 0.850 0.443 -2.894) 3.048 10.231 ( -2.934 1.175 -2.391) 3.963 10.250 ( -2.160 0.964 -1.035) 2.582 10.334 ( 0.393 1.093 6.799) 6.897 10.664 ( 1.165 -5.127 7.286) 8.985 10.737 ( 0.391 0.714 -1.154) 1.412 10.776 ( -3.112 -1.170 -1.867) 3.813 10.845 ( -1.225 1.706 5.689) 6.064 11.130 ( 0.417 -5.431 -4.895) 7.323 11.619 ( -1.894 -0.956 3.467) 4.065 11.633 ( -1.095 -1.381 0.089) 1.765 12.263 ( 1.364 0.241 -0.233) 1.405 12.291 ( 1.286 -0.336 -2.157) 2.533 12.323 ( 0.592 -0.184 -0.449) 0.766 12.391 ( 2.049 -0.840 1.219) 2.528 12.549 ( 1.211 3.222 2.421) 4.208 12.570 ( -2.870 1.400 -2.201) 3.878 12.635 ( -0.586 -0.818 0.543) 1.143 12.745 ( 0.956 0.000 -3.463) 3.592 12.832 ( 4.985 -1.805 -1.973) 5.657 12.877 ( 1.677 -1.251 -3.380) 3.975 13.045 ( -0.340 -0.029 -0.881) 0.945 13.100 ( -0.445 -1.361 3.062) 3.380 13.136 ( 0.171 0.548 1.071) 1.215 13.195 ( 0.769 -1.275 1.913) 2.424 13.404 ( -3.547 2.141 -0.902) 4.240 13.466 ( -3.624 0.539 0.904) 3.774 13.501 ( -3.917 -0.641 2.071) 4.477 13.597 ( -2.404 -2.632 0.375) 3.585 13.756 ( 2.393 3.183 0.531) 4.017 13.799 ( 2.514 0.690 0.042) 2.607 13.853 ( 2.818 -0.323 -0.096) 2.838 13.948 ( 3.631 -1.927 -0.423) 4.133 17.062 ( -1.066 -0.979 0.265) 1.471 17.105 ( 0.272 -0.054 0.917) 0.958 17.139 ( -0.087 -0.962 0.389) 1.041 17.200 ( 0.572 -0.790 -0.045) 0.977 17.280 ( -0.302 2.056 0.598) 2.162 17.324 ( 0.620 -0.331 1.385) 1.554 17.383 ( -1.753 0.271 -0.415) 1.822 17.430 ( 0.844 -0.515 -3.871) 3.995 17.454 ( -2.844 -0.110 -4.258) 5.122 17.480 ( 1.027 0.010 0.318) 1.075 17.646 ( 2.658 1.348 0.565) 3.033 17.744 ( 1.923 -0.695 -0.696) 2.160 17.815 ( -0.020 0.253 -0.466) 0.531 17.842 ( 0.438 -0.511 -0.537) 0.861 17.901 ( 2.718 0.146 0.580) 2.784 17.933 ( 2.896 -0.734 0.726) 3.075 18.331 ( -0.962 0.754 1.655) 2.058 18.374 ( -1.075 -0.019 1.545) 1.882 18.435 ( 2.198 0.820 -0.383) 2.377 18.476 ( 1.227 -1.297 -0.169) 1.793 18.582 ( -3.553 2.564 3.962) 5.907 18.678 ( -5.522 -1.038 5.237) 7.681 18.818 ( 4.058 1.106 -3.670) 5.582 18.874 ( 1.676 -0.658 -2.583) 3.149 20.194 ( -3.477 1.573 -1.454) 4.084 20.371 ( -4.884 -2.572 -2.548) 6.080 20.690 ( 5.146 1.004 -4.509) 6.915 20.760 ( 5.132 -0.955 -1.051) 5.325 21.618 ( -1.024 2.134 1.793) 2.969 21.801 ( 3.451 -2.725 -0.521) 4.428 21.926 ( 0.567 3.266 -0.685) 3.385 22.120 ( -2.143 1.677 -3.597) 4.511 22.167 ( 2.635 -3.683 1.920) 4.918 22.234 ( -0.140 -0.547 -0.553) 0.790 22.417 ( -5.341 1.892 -5.334) 7.782 22.630 ( -2.803 -3.367 8.830) 9.857 25.300 ( -2.235 1.019 4.926) 5.505 25.376 ( 2.285 -0.357 -3.756) 4.411 25.547 ( -7.019 -1.055 2.284) 7.456 25.657 ( -3.208 -3.480 -3.341) 5.794 29.115 ( 1.794 -0.229 -0.044) 1.810 29.153 ( 2.445 -1.095 0.218) 2.687 29.215 ( 1.486 1.127 -0.038) 1.866 29.249 ( 2.386 1.101 -0.165) 2.633 29.515 ( -1.917 0.724 -0.311) 2.073 29.540 ( -1.192 0.214 -0.078) 1.214 29.602 ( -2.043 0.637 -0.329) 2.165 29.640 ( -0.906 -0.330 1.336) 1.648 31.027 ( -0.637 1.046 -2.581) 2.857 31.074 ( -1.972 2.080 1.935) 3.458 31.171 ( 4.155 -0.653 -4.728) 6.328 31.401 ( 7.571 -4.360 6.178) 10.700 31.738 ( 0.001 1.820 2.646) 3.211 31.811 ( -0.683 -2.344 0.326) 2.464 32.029 ( -2.794 -2.438 -2.991) 4.764 32.071 ( -3.379 0.832 0.425) 3.506 32.322 ( 0.034 7.677 1.015) 7.744 32.381 ( -2.228 7.536 -6.120) 9.960 32.515 ( 0.048 1.747 -2.966) 3.442 32.643 ( 2.424 -1.283 6.269) 6.842 32.843 ( 1.969 1.764 1.933) 3.275 32.917 ( 3.348 -1.509 0.869) 3.774 33.151 ( 0.659 2.830 -1.529) 3.283 33.191 ( 2.984 1.010 2.140) 3.808 33.394 ( -9.515 -1.508 -5.467) 11.077 33.492 ( -10.400 -3.157 5.924) 12.378 34.327 ( 8.883 -5.956 -0.897) 10.733 34.441 ( 8.435 -7.410 0.689) 11.248 34.939 ( -0.444 4.659 -1.190) 4.829 35.002 ( 4.781 9.297 -8.611) 13.544 35.298 ( -2.924 -3.308 10.409) 11.307 35.550 ( 0.986 -4.136 0.720) 4.312 106.319 ( -0.824 0.634 0.181) 1.056 106.346 ( -0.006 0.500 -0.082) 0.507 106.375 ( -0.754 -0.261 0.226) 0.829 106.403 ( -0.003 -0.426 0.173) 0.460 108.405 ( 0.554 0.236 0.291) 0.669 108.416 ( 0.729 0.105 -0.936) 1.191 108.446 ( -0.091 0.374 -0.584) 0.700 108.477 ( 0.477 -0.333 0.933) 1.099 ======================= Grid point 102 (55/84) ======================= q-point: ( 0.33 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 15.651 6.672 -12.386) 21.045 1.977 ( 16.816 5.715 -12.911) 21.957 2.159 ( 5.908 -2.466 -6.262) 8.955 2.322 ( 3.551 2.182 10.153) 10.975 2.437 ( 4.890 -1.111 -7.240) 8.807 2.507 ( 0.245 6.236 2.882) 6.874 2.583 ( -4.851 0.454 -2.658) 5.550 2.612 ( 2.486 5.160 -5.291) 7.797 2.838 ( -6.249 -3.589 -0.053) 7.206 2.908 ( -1.966 -3.308 -7.409) 8.348 2.958 ( -0.136 -3.899 3.226) 5.062 3.151 ( 2.040 -3.838 -4.462) 6.229 3.186 ( 3.777 -2.739 -7.835) 9.119 3.276 ( -0.620 -6.231 -8.456) 10.522 3.361 ( -4.939 -1.089 -2.078) 5.468 3.430 ( -0.811 -3.802 -9.086) 9.883 3.481 ( -2.952 -0.280 -7.839) 8.381 3.563 ( -6.925 4.252 -9.254) 12.315 3.710 ( 1.206 3.589 3.901) 5.436 3.733 ( -3.915 -1.678 -7.595) 8.708 3.822 ( -4.412 -2.812 0.899) 5.309 3.907 ( -0.254 1.578 -1.465) 2.168 4.040 ( 6.320 6.941 -3.932) 10.177 4.081 ( -0.854 2.296 6.761) 7.191 4.151 ( 3.066 -0.785 -1.772) 3.627 4.227 ( -2.039 4.502 4.884) 6.948 4.299 ( -3.933 5.803 1.028) 7.085 4.408 ( -2.740 -6.680 -6.241) 9.543 4.488 ( -1.145 -1.973 -2.288) 3.231 4.698 ( -0.293 1.513 -3.085) 3.449 4.734 ( 0.651 2.551 -4.573) 5.276 4.763 ( 4.453 3.245 1.803) 5.797 4.799 ( -1.079 0.527 -0.320) 1.243 4.869 ( 3.204 3.974 4.722) 6.954 5.010 ( 5.463 -6.808 5.879) 10.524 5.108 ( 4.381 -1.810 -1.008) 4.846 5.143 ( 5.840 -4.036 1.436) 7.242 5.218 ( 2.546 -1.555 1.970) 3.575 5.306 ( -1.337 -3.208 7.829) 8.566 5.338 ( 1.239 5.781 3.620) 6.932 5.403 ( -1.025 -2.668 2.028) 3.505 5.470 ( -0.844 -0.509 2.983) 3.142 5.520 ( -3.609 -1.898 -1.102) 4.224 5.619 ( -8.391 -1.680 2.923) 9.043 5.672 ( -3.465 0.903 5.828) 6.839 5.766 ( -1.146 -1.960 4.764) 5.278 5.822 ( -3.678 0.881 4.779) 6.095 5.880 ( 4.804 1.373 8.227) 9.625 5.922 ( -2.838 -2.728 -1.130) 4.095 6.046 ( -0.234 3.528 0.431) 3.562 6.105 ( -3.972 1.574 -1.562) 4.549 6.212 ( 0.532 -0.276 3.611) 3.660 6.239 ( -6.838 3.334 -0.535) 7.626 6.296 ( 0.549 0.883 1.960) 2.218 6.397 ( -0.374 -1.975 3.171) 3.755 6.504 ( 1.101 0.259 0.534) 1.251 6.577 ( -0.038 0.676 3.012) 3.087 6.681 ( 0.481 -6.393 -0.013) 6.411 6.787 ( 1.876 -1.042 -1.502) 2.619 6.794 ( -1.312 0.680 1.853) 2.370 6.926 ( -0.343 4.267 -2.525) 4.970 6.971 ( 7.426 4.951 -0.306) 8.931 7.055 ( 1.875 0.537 -7.971) 8.207 7.098 ( 3.659 1.851 -1.221) 4.279 7.447 ( -2.421 -3.008 2.689) 4.705 7.470 ( -0.475 -1.448 1.418) 2.081 7.619 ( -3.987 2.686 5.291) 7.149 7.686 ( -2.079 -0.001 10.176) 10.386 7.955 ( -2.551 0.860 0.204) 2.700 8.081 ( -0.604 1.859 -0.253) 1.971 8.165 ( 2.521 -4.799 5.059) 7.415 8.277 ( 0.135 -0.672 6.419) 6.456 9.252 ( -0.158 1.417 1.121) 1.814 9.347 ( 2.098 -1.033 -0.523) 2.397 9.544 ( -0.009 1.342 0.812) 1.568 9.630 ( 2.731 -0.584 -0.030) 2.793 9.791 ( 0.574 0.598 -8.981) 9.019 9.865 ( 1.644 -1.216 -6.999) 7.292 9.954 ( 0.409 0.292 -4.240) 4.269 9.996 ( -0.975 -0.257 -3.363) 3.511 10.182 ( -0.730 2.216 -1.677) 2.873 10.257 ( 1.107 0.563 0.853) 1.507 10.451 ( 0.033 0.482 8.962) 8.975 10.614 ( -5.034 -0.951 -5.290) 7.364 10.760 ( 1.386 1.220 2.608) 3.196 10.806 ( 0.902 -1.216 7.939) 8.082 10.947 ( -2.117 -1.204 9.664) 9.966 11.065 ( -0.360 -3.768 -4.440) 5.835 11.617 ( -0.960 -1.640 0.471) 1.957 11.630 ( -2.491 -1.536 2.598) 3.914 12.232 ( 0.868 0.251 -5.084) 5.164 12.262 ( 0.431 -0.402 -4.205) 4.247 12.327 ( -0.411 0.523 -0.697) 0.964 12.415 ( 1.698 0.456 -3.482) 3.900 12.505 ( -3.170 -1.151 -0.391) 3.395 12.557 ( -1.262 -0.297 -2.074) 2.446 12.642 ( 2.094 1.648 0.308) 2.683 12.704 ( 0.954 0.849 -4.072) 4.268 12.837 ( -0.193 -0.436 -3.439) 3.472 12.890 ( 4.860 -1.897 -0.611) 5.253 13.054 ( 0.805 -0.373 1.054) 1.377 13.135 ( -0.337 -0.914 2.236) 2.439 13.147 ( -0.375 0.413 0.903) 1.061 13.215 ( -0.374 -0.998 0.146) 1.076 13.355 ( -2.261 2.292 0.168) 3.224 13.432 ( -3.022 0.655 1.165) 3.305 13.475 ( -3.430 -0.656 1.996) 4.023 13.560 ( -2.585 -2.172 -0.189) 3.382 13.806 ( 2.210 2.517 2.108) 3.957 13.844 ( 2.004 0.599 1.684) 2.685 13.907 ( 2.854 -0.463 1.988) 3.509 13.997 ( 3.132 -2.054 0.675) 3.806 17.047 ( -0.612 -0.531 -0.452) 0.927 17.114 ( -0.309 -0.177 0.270) 0.447 17.154 ( 1.140 0.314 1.003) 1.550 17.211 ( 0.080 0.117 0.978) 0.988 17.291 ( 0.124 2.580 0.510) 2.633 17.318 ( -0.458 0.467 0.367) 0.750 17.360 ( -0.958 -0.457 -2.551) 2.763 17.420 ( 1.640 0.491 -0.075) 1.714 17.456 ( 3.599 -1.767 3.741) 5.484 17.494 ( 0.546 -0.591 0.239) 0.839 17.681 ( 1.583 0.949 0.588) 1.937 17.758 ( 1.509 -0.753 -0.587) 1.785 17.810 ( 0.417 0.574 -0.764) 1.043 17.837 ( 0.142 -0.322 -0.912) 0.978 17.924 ( 1.601 0.426 -1.460) 2.208 17.974 ( 1.782 -0.830 -0.296) 1.988 18.338 ( -1.707 0.339 2.204) 2.808 18.382 ( -1.111 -0.541 2.150) 2.480 18.464 ( 1.982 1.215 0.171) 2.331 18.493 ( 0.005 -1.313 1.448) 1.955 18.585 ( -2.802 2.568 3.332) 5.055 18.671 ( -5.066 -0.873 5.264) 7.358 18.818 ( 3.298 1.010 -4.479) 5.654 18.860 ( 1.540 -0.176 -2.964) 3.345 20.166 ( 0.862 0.975 -0.189) 1.315 20.285 ( -2.924 -1.824 -1.398) 3.719 20.660 ( 2.632 1.535 -8.535) 9.063 20.780 ( 2.486 -1.474 -4.131) 5.042 21.620 ( -1.161 1.944 0.741) 2.382 21.809 ( 0.309 -3.340 -1.532) 3.688 21.946 ( 4.869 2.879 -5.418) 7.833 22.016 ( -3.347 0.677 -5.658) 6.608 22.159 ( -1.190 -1.257 -1.056) 2.027 22.242 ( 0.508 -0.241 2.314) 2.381 22.413 ( 1.664 0.845 6.341) 6.610 22.681 ( -5.124 -4.471 7.709) 10.280 25.320 ( -2.866 0.671 3.628) 4.672 25.373 ( 3.563 -0.454 -3.122) 4.758 25.472 ( -6.799 -0.132 1.258) 6.916 25.562 ( -2.580 -2.512 -4.423) 5.704 29.143 ( 1.986 0.466 0.162) 2.046 29.185 ( 1.519 0.188 0.142) 1.537 29.243 ( 2.394 -0.169 0.153) 2.405 29.277 ( 1.708 0.480 -0.013) 1.774 29.484 ( -1.958 0.635 -0.126) 2.063 29.515 ( -1.428 -0.262 -0.602) 1.572 29.571 ( -1.867 1.119 -0.193) 2.185 29.638 ( -1.409 -0.731 0.664) 1.721 30.997 ( 0.964 1.401 -2.122) 2.719 31.063 ( -2.249 1.564 0.494) 2.783 31.169 ( 4.238 -0.134 -4.604) 6.259 31.485 ( -0.814 -8.665 -3.583) 9.412 31.768 ( -3.138 2.688 -0.292) 4.142 31.855 ( 4.866 1.378 8.002) 9.466 31.965 ( 1.720 -1.215 -2.192) 3.040 32.073 ( -2.191 -1.094 5.619) 6.130 32.260 ( -2.316 8.805 -4.644) 10.220 32.295 ( -1.868 3.247 -5.751) 6.864 32.476 ( 0.250 1.721 -2.811) 3.306 32.688 ( -2.351 -3.241 -0.187) 4.008 32.907 ( 2.612 0.846 2.399) 3.646 32.980 ( 3.535 -2.777 1.112) 4.631 33.112 ( -4.387 0.823 -0.078) 4.464 33.264 ( 1.528 4.863 3.092) 5.962 33.304 ( 0.267 0.353 0.470) 0.645 33.458 ( -5.720 0.772 5.999) 8.325 34.387 ( 6.591 -7.174 -5.817) 11.347 34.460 ( 1.892 -8.144 -4.903) 9.692 34.816 ( -4.297 7.773 -7.787) 11.812 34.966 ( -1.299 2.870 -6.669) 7.375 35.533 ( 5.383 -2.440 19.702) 20.569 35.662 ( 4.394 -1.735 11.234) 12.187 106.313 ( -0.625 0.504 0.513) 0.953 106.343 ( -0.122 0.219 -0.151) 0.292 106.370 ( -0.558 -0.012 0.381) 0.676 106.403 ( -0.292 -0.398 0.131) 0.510 108.414 ( 0.680 0.056 -0.776) 1.033 108.418 ( 0.482 0.007 0.201) 0.523 108.444 ( 0.404 0.805 0.059) 0.903 108.494 ( 0.155 -0.515 0.818) 0.979 ======================= Grid point 103 (56/84) ======================= q-point: ( 0.44 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 6.470 -0.305 -14.270) 15.671 2.024 ( -4.033 -0.471 -16.603) 17.092 2.064 ( 19.656 10.653 -7.821) 23.686 2.229 ( -13.907 6.110 -4.946) 15.975 2.432 ( 2.143 -3.788 -2.117) 4.840 2.522 ( -1.179 -1.669 -3.148) 3.753 2.560 ( 5.081 3.878 -6.326) 8.993 2.613 ( 6.350 -1.296 -1.409) 6.633 2.770 ( 1.266 -2.518 -5.421) 6.110 2.874 ( 0.635 -1.983 2.226) 3.048 2.940 ( -4.119 -1.295 -0.970) 4.425 3.069 ( -3.454 3.505 -5.316) 7.244 3.076 ( -3.607 -5.324 -1.741) 6.662 3.218 ( -7.599 -1.621 -1.748) 7.964 3.262 ( -6.335 1.986 -4.342) 7.933 3.336 ( 2.903 -4.435 -5.315) 7.507 3.442 ( 1.518 3.058 -1.688) 3.809 3.452 ( 5.980 6.861 -5.739) 10.760 3.541 ( -2.807 -2.660 -4.856) 6.208 3.791 ( -4.218 2.798 5.142) 7.216 3.820 ( 6.031 -2.797 0.707) 6.685 3.909 ( 0.067 -4.487 0.239) 4.493 4.030 ( -4.707 4.614 -2.765) 7.148 4.097 ( 3.239 -0.797 -7.249) 7.979 4.178 ( 3.356 1.783 3.161) 4.943 4.222 ( -2.181 5.027 -2.752) 6.132 4.245 ( -2.024 7.017 1.102) 7.386 4.325 ( 2.094 -0.464 2.457) 3.261 4.448 ( 1.158 -9.273 -6.996) 11.674 4.694 ( -2.733 -0.780 3.876) 4.807 4.717 ( 1.572 -0.703 -5.678) 5.933 4.798 ( 1.694 -0.392 -0.891) 1.953 4.815 ( 0.057 1.799 0.349) 1.833 4.949 ( 1.749 6.479 0.420) 6.724 5.095 ( 0.110 -2.128 -2.575) 3.342 5.115 ( 4.600 -7.142 1.959) 8.718 5.218 ( -2.791 -4.765 -0.737) 5.572 5.230 ( -0.339 -1.934 2.639) 3.289 5.361 ( -0.858 0.694 0.168) 1.116 5.425 ( 3.232 1.953 2.836) 4.723 5.440 ( 1.355 0.763 2.972) 3.354 5.469 ( -2.428 1.684 4.407) 5.306 5.500 ( -5.832 -2.708 5.841) 8.687 5.569 ( 3.014 -0.974 3.348) 4.609 5.715 ( -3.876 -4.100 -0.883) 5.711 5.780 ( -1.388 0.607 6.670) 6.840 5.837 ( 0.104 0.010 2.152) 2.155 5.864 ( -2.879 0.441 4.332) 5.220 6.013 ( -4.371 0.617 4.828) 6.542 6.079 ( 3.015 0.134 3.206) 4.403 6.111 ( -0.651 3.892 6.107) 7.270 6.190 ( 2.807 5.389 1.782) 6.332 6.309 ( 1.259 -0.934 2.164) 2.672 6.358 ( 4.090 -2.398 5.875) 7.549 6.466 ( 0.297 -1.592 6.008) 6.223 6.538 ( 0.482 5.191 0.166) 5.216 6.597 ( -0.318 -2.409 -1.095) 2.666 6.653 ( -2.290 -3.358 -2.005) 4.532 6.755 ( -2.448 -0.073 0.016) 2.449 6.794 ( 1.658 -2.833 -2.225) 3.966 6.901 ( -1.946 3.465 0.861) 4.066 6.968 ( -0.864 3.011 -5.544) 6.368 7.038 ( 4.962 2.218 -2.735) 6.085 7.108 ( 1.058 1.829 -2.630) 3.374 7.474 ( 3.245 -0.146 4.628) 5.655 7.566 ( 3.619 -1.596 4.920) 6.313 7.622 ( -4.220 2.267 4.459) 6.544 7.775 ( -3.657 -1.457 8.459) 9.330 7.916 ( -1.731 1.654 -0.512) 2.449 8.065 ( 0.050 1.195 -1.463) 1.889 8.290 ( 2.168 -5.701 8.745) 10.662 8.373 ( -1.826 -2.772 9.639) 10.195 9.264 ( -0.538 1.507 1.657) 2.303 9.359 ( 0.870 -0.893 -0.975) 1.583 9.546 ( -1.029 1.267 0.032) 1.633 9.631 ( 1.406 -1.128 -6.056) 6.319 9.724 ( 1.696 0.656 -2.469) 3.066 9.817 ( 2.743 -1.955 -5.529) 6.474 9.895 ( 1.208 1.971 -5.707) 6.158 9.926 ( -2.182 0.443 -5.078) 5.544 10.157 ( 0.109 1.778 -1.723) 2.478 10.265 ( 2.322 -0.819 -3.595) 4.357 10.487 ( -1.740 0.470 -1.503) 2.346 10.537 ( -2.348 0.208 2.304) 3.297 10.856 ( 2.952 0.302 7.013) 7.615 10.914 ( -0.677 -0.793 7.896) 7.965 11.009 ( -4.290 -0.992 7.111) 8.364 11.036 ( 2.834 -1.758 -1.651) 3.721 11.615 ( -3.729 -1.734 3.619) 5.478 11.640 ( 0.869 -1.973 2.331) 3.175 12.176 ( 0.229 -0.296 -5.177) 5.190 12.196 ( -0.777 -0.874 -5.352) 5.478 12.287 ( -1.885 2.171 -2.278) 3.669 12.356 ( 0.612 1.663 -6.045) 6.299 12.457 ( -2.711 -2.584 -1.564) 4.059 12.495 ( -0.727 -1.911 -4.827) 5.243 12.661 ( -0.175 1.605 0.259) 1.635 12.698 ( 3.855 0.618 -2.788) 4.798 12.813 ( 0.576 1.524 0.485) 1.700 12.927 ( 1.353 0.011 -1.212) 1.817 13.079 ( 0.936 -0.629 0.793) 1.379 13.135 ( -0.494 -0.011 -0.673) 0.835 13.149 ( -1.297 -1.220 0.682) 1.907 13.182 ( -1.597 -1.051 -2.292) 2.985 13.355 ( 0.381 1.664 1.691) 2.403 13.415 ( -1.609 0.189 1.165) 1.995 13.464 ( -2.058 -0.059 2.458) 3.206 13.534 ( -0.402 -1.698 -0.292) 1.769 13.864 ( 1.278 2.096 2.695) 3.646 13.889 ( 0.874 0.701 1.803) 2.122 13.974 ( 1.441 -0.856 3.250) 3.656 14.046 ( 1.819 -2.024 1.019) 2.906 17.045 ( 0.660 0.333 0.067) 0.743 17.100 ( -1.268 0.744 -0.631) 1.600 17.191 ( 0.876 0.595 2.098) 2.350 17.223 ( -0.432 0.520 1.429) 1.581 17.294 ( 0.152 -0.213 0.241) 0.356 17.308 ( -0.948 -0.369 -1.405) 1.735 17.350 ( 1.416 1.394 0.791) 2.139 17.467 ( -0.973 -0.598 -1.379) 1.791 17.508 ( 4.946 0.677 5.153) 7.174 17.588 ( 3.899 -1.420 5.416) 6.823 17.708 ( 0.931 0.717 0.902) 1.482 17.773 ( 1.229 -0.781 -0.119) 1.461 17.804 ( 0.316 0.255 -1.109) 1.181 17.823 ( -0.205 -0.407 -1.148) 1.235 17.913 ( 0.695 1.136 -2.715) 3.024 17.963 ( -0.338 -0.342 -3.042) 3.080 18.345 ( -2.191 0.079 3.559) 4.180 18.398 ( -1.618 -1.042 3.129) 3.674 18.491 ( 0.998 1.263 0.630) 1.728 18.512 ( -0.164 -0.337 1.627) 1.669 18.585 ( -2.551 2.465 2.407) 4.287 18.670 ( -4.647 -0.871 5.126) 6.974 18.795 ( 2.494 1.259 -5.322) 6.011 18.849 ( 2.608 -0.130 -3.186) 4.120 20.180 ( -0.249 0.825 0.723) 1.125 20.289 ( 2.534 -2.069 2.971) 4.419 20.554 ( 0.428 1.993 -10.660) 10.853 20.730 ( 1.027 -2.426 -7.221) 7.687 21.604 ( -2.077 1.690 0.432) 2.712 21.781 ( -0.123 -3.591 -3.444) 4.977 21.883 ( 0.214 1.825 -6.479) 6.735 21.922 ( -0.172 0.001 -4.765) 4.768 22.208 ( 3.694 2.048 3.225) 5.315 22.262 ( -1.879 2.176 2.397) 3.743 22.557 ( 5.103 -3.514 7.298) 9.574 22.690 ( -5.852 -5.332 5.877) 9.859 25.310 ( -4.252 0.499 2.569) 4.993 25.368 ( -4.818 -1.242 0.936) 5.062 25.418 ( 3.095 0.939 -2.767) 4.256 25.491 ( 1.400 -1.320 -4.446) 4.845 29.172 ( 1.498 1.041 0.379) 1.863 29.197 ( 0.039 0.911 0.005) 0.912 29.278 ( 1.790 -0.663 0.212) 1.920 29.294 ( 0.682 -0.293 -0.042) 0.744 29.458 ( -1.526 0.753 0.101) 1.705 29.493 ( -0.234 0.126 -0.939) 0.976 29.551 ( -0.791 0.756 0.423) 1.173 29.618 ( -1.713 -0.707 -0.236) 1.868 31.000 ( 2.430 1.226 -1.317) 3.024 31.024 ( -2.724 1.737 -0.656) 3.296 31.178 ( 4.770 -0.997 -3.613) 6.066 31.348 ( -5.838 -4.624 -6.974) 10.203 31.759 ( -0.703 1.850 2.962) 3.562 31.886 ( -0.191 -3.372 -1.080) 3.546 32.078 ( 1.513 4.305 -1.048) 4.682 32.124 ( -4.733 0.580 7.719) 9.073 32.176 ( -0.560 3.000 -5.741) 6.502 32.224 ( 2.673 1.871 2.305) 3.995 32.448 ( -0.088 0.044 -2.602) 2.604 32.577 ( -4.361 0.653 -6.919) 8.205 32.962 ( 0.184 -0.822 2.440) 2.581 33.053 ( 3.012 -4.325 0.977) 5.360 33.075 ( 1.673 -1.212 1.889) 2.800 33.312 ( -4.264 -3.483 2.315) 5.973 33.340 ( 3.493 7.726 4.126) 9.430 33.469 ( -2.418 4.181 3.536) 5.986 34.344 ( 4.795 -4.605 -9.230) 11.375 34.499 ( 8.270 -4.846 -5.017) 10.819 34.656 ( -4.433 5.562 -4.489) 8.411 34.808 ( -8.328 0.591 -5.534) 10.017 35.845 ( 1.442 -1.997 18.267) 18.432 35.901 ( 5.393 -1.971 13.080) 14.285 106.314 ( -0.281 0.438 0.675) 0.853 106.340 ( 0.092 0.063 -0.271) 0.293 106.370 ( -0.220 0.092 0.565) 0.613 106.398 ( -0.407 -0.327 -0.116) 0.535 108.412 ( 0.144 0.245 -0.349) 0.450 108.421 ( 0.287 0.493 -0.453) 0.729 108.462 ( 0.878 0.124 1.016) 1.349 108.501 ( -0.227 -0.630 0.438) 0.801 ======================= Grid point 104 (57/84) ======================= q-point: (-0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -13.853 3.445 -13.628) 19.736 1.742 ( -9.013 4.964 -4.746) 11.331 1.989 ( -6.211 2.203 -7.832) 10.236 2.253 ( 10.014 4.736 -2.700) 11.402 2.365 ( -1.248 -1.457 -3.104) 3.649 2.456 ( -2.540 -0.816 -4.316) 5.074 2.544 ( 6.747 -1.258 -6.306) 9.321 2.615 ( -1.591 -5.170 -6.685) 8.599 2.757 ( 4.851 -0.204 0.208) 4.860 2.839 ( -2.241 -0.606 -7.204) 7.569 2.933 ( 1.785 0.390 1.609) 2.435 2.990 ( -9.972 -5.378 4.846) 12.322 3.066 ( 0.535 2.099 -0.110) 2.168 3.101 ( 0.299 -1.290 -7.810) 7.921 3.182 ( -3.212 5.097 5.104) 7.896 3.269 ( -3.655 9.313 -4.543) 10.987 3.382 ( -2.252 -1.583 2.817) 3.939 3.426 ( 5.789 1.025 -4.549) 7.433 3.634 ( 3.146 1.766 7.485) 8.309 3.740 ( -2.650 -0.198 -2.477) 3.633 3.866 ( -4.543 0.517 2.141) 5.049 3.923 ( -1.648 2.315 -4.273) 5.132 3.972 ( 5.998 -9.515 -3.624) 11.817 4.065 ( 2.435 4.167 -3.823) 6.157 4.170 ( -2.545 -3.478 1.155) 4.462 4.211 ( -1.848 3.097 3.547) 5.058 4.310 ( 4.222 -3.713 -0.884) 5.691 4.385 ( 0.436 -2.454 1.156) 2.747 4.411 ( 5.308 2.638 -3.275) 6.772 4.589 ( 0.490 -1.576 -10.085) 10.219 4.692 ( -4.002 -0.857 3.143) 5.160 4.783 ( -5.999 3.054 4.089) 7.876 4.870 ( 1.754 3.616 -1.897) 4.444 4.919 ( 2.263 6.686 -1.883) 7.305 5.063 ( -2.750 -2.895 2.855) 4.909 5.155 ( -4.135 -7.190 -3.776) 9.113 5.211 ( -3.818 -6.085 1.246) 7.291 5.232 ( 5.024 -4.316 2.882) 7.223 5.337 ( 1.970 3.435 0.671) 4.016 5.401 ( -0.162 0.670 -3.878) 3.938 5.479 ( -2.302 -0.562 2.524) 3.462 5.520 ( -3.039 -0.016 5.922) 6.656 5.578 ( 6.328 -1.102 2.451) 6.875 5.677 ( 5.778 -0.174 -0.196) 5.784 5.735 ( -1.302 -0.032 6.436) 6.566 5.786 ( -2.001 2.149 -0.162) 2.941 5.865 ( -2.477 2.968 0.404) 3.886 5.882 ( 1.030 -0.336 1.244) 1.650 6.049 ( 1.629 1.301 7.930) 8.199 6.164 ( -0.762 4.350 3.704) 5.764 6.177 ( 2.247 0.050 5.263) 5.723 6.257 ( 0.611 -0.692 -2.582) 2.742 6.348 ( 5.446 -1.037 4.101) 6.896 6.475 ( -5.585 0.119 -2.929) 6.307 6.494 ( -2.469 0.231 -4.563) 5.193 6.532 ( 7.172 0.235 4.289) 8.360 6.568 ( 0.304 -3.400 3.750) 5.071 6.615 ( -1.413 -2.602 1.197) 3.193 6.763 ( -0.208 -2.728 -0.541) 2.788 6.773 ( 1.675 -5.682 -1.629) 6.144 6.882 ( -2.473 3.324 -2.767) 4.982 6.918 ( 2.060 4.765 1.772) 5.486 7.069 ( 3.430 3.963 -1.894) 5.573 7.092 ( 1.409 3.551 -2.326) 4.473 7.577 ( -2.812 0.885 1.398) 3.262 7.610 ( 4.963 -0.400 2.743) 5.684 7.702 ( 2.600 -0.798 6.058) 6.640 7.771 ( -4.239 -1.953 0.459) 4.690 7.919 ( -0.671 2.917 3.465) 4.578 8.044 ( 0.439 0.676 -2.518) 2.644 8.431 ( -1.642 -5.715 10.825) 12.351 8.455 ( -2.342 -5.278 7.831) 9.730 9.282 ( -1.087 1.546 2.785) 3.366 9.350 ( 0.044 0.007 -0.947) 0.948 9.504 ( -2.397 0.188 -2.800) 3.690 9.553 ( 0.932 -1.210 -7.343) 7.500 9.717 ( 0.858 1.087 -1.668) 2.168 9.785 ( -0.942 3.793 -5.157) 6.471 9.807 ( -3.135 -0.403 -2.346) 3.936 9.872 ( 3.956 0.439 -4.793) 6.230 10.140 ( -0.386 0.961 -0.519) 1.158 10.242 ( 2.915 -1.576 -5.222) 6.185 10.489 ( 1.554 0.233 1.734) 2.340 10.511 ( -2.057 -0.189 -0.729) 2.191 10.939 ( -3.334 -1.352 4.695) 5.915 11.007 ( 0.246 -0.697 6.045) 6.090 11.041 ( -0.770 1.403 3.155) 3.537 11.105 ( 8.746 -1.392 0.575) 8.875 11.600 ( -6.122 -0.491 4.208) 7.445 11.721 ( 3.623 -3.589 4.784) 6.993 12.104 ( -1.121 -0.473 -3.661) 3.858 12.123 ( 0.186 -0.516 -5.045) 5.075 12.232 ( -2.433 1.565 -1.373) 3.202 12.304 ( 1.389 2.308 -4.055) 4.869 12.392 ( -3.343 -2.625 -1.635) 4.554 12.436 ( 0.902 -0.869 -3.245) 3.479 12.657 ( -0.798 0.941 -0.090) 1.237 12.708 ( 2.038 -0.416 -1.908) 2.822 12.859 ( 2.720 2.736 1.518) 4.146 12.902 ( -1.038 1.528 -2.016) 2.734 13.091 ( -1.569 -0.305 0.265) 1.620 13.101 ( -1.238 0.315 -0.896) 1.560 13.131 ( -0.843 -0.974 -0.187) 1.302 13.161 ( 1.578 -1.990 -0.760) 2.651 13.398 ( 2.053 0.017 1.727) 2.683 13.411 ( 0.166 0.017 0.040) 0.172 13.482 ( 0.129 0.451 2.486) 2.529 13.541 ( 2.126 -1.201 -0.563) 2.505 13.900 ( -0.500 1.723 1.767) 2.518 13.909 ( -0.593 0.860 0.892) 1.373 14.019 ( -0.665 -1.185 2.667) 2.993 14.063 ( -0.507 -1.761 -0.139) 1.837 17.056 ( -0.717 1.226 0.352) 1.463 17.076 ( 0.280 1.402 -0.453) 1.500 17.218 ( -1.387 -0.074 2.535) 2.891 17.241 ( 0.618 0.193 1.100) 1.276 17.277 ( -0.976 -0.726 -0.674) 1.391 17.309 ( 1.357 -1.682 -0.151) 2.167 17.385 ( 1.098 1.674 1.169) 2.319 17.421 ( -0.961 1.209 -2.494) 2.933 17.652 ( 3.603 -1.196 5.435) 6.629 17.684 ( 1.160 -1.614 2.883) 3.501 17.732 ( 0.445 0.949 1.290) 1.662 17.780 ( -1.336 -1.189 -3.076) 3.558 17.787 ( 0.036 -0.390 0.391) 0.553 17.800 ( -0.704 -0.626 -1.313) 1.616 17.874 ( -0.258 2.643 -2.702) 3.788 17.904 ( -0.046 1.236 -4.180) 4.359 18.375 ( -1.778 -0.565 5.437) 5.748 18.411 ( -2.234 -1.169 3.031) 3.942 18.503 ( -0.515 1.371 0.500) 1.547 18.527 ( 0.051 0.243 0.696) 0.739 18.582 ( -1.803 2.602 2.264) 3.892 18.670 ( -4.457 -0.659 4.692) 6.505 18.763 ( 2.887 1.589 -5.127) 6.095 18.849 ( 3.072 -0.563 -3.174) 4.453 20.199 ( -0.113 1.832 3.172) 3.665 20.377 ( 2.653 -2.418 -1.551) 3.910 20.437 ( 0.825 1.241 -2.629) 3.022 20.626 ( -0.023 -3.726 -10.124) 10.788 21.581 ( -2.790 1.509 1.709) 3.603 21.719 ( -0.226 -2.030 -4.660) 5.088 21.846 ( 0.940 0.472 -1.385) 1.739 21.869 ( 0.277 -0.171 -3.467) 3.482 22.250 ( -2.873 1.873 1.213) 3.638 22.301 ( 3.937 3.009 1.642) 5.220 22.673 ( -4.877 -6.217 3.295) 8.561 22.721 ( 6.445 -4.886 5.037) 9.528 25.266 ( -6.383 0.353 2.394) 6.827 25.305 ( -5.467 -0.676 1.952) 5.844 25.441 ( 4.241 0.786 -2.773) 5.128 25.503 ( 7.089 -0.795 -3.521) 7.955 29.186 ( -1.208 0.974 -0.079) 1.554 29.191 ( 0.196 0.957 0.296) 1.020 29.285 ( -0.886 -0.341 0.068) 0.952 29.300 ( 0.176 -0.739 -0.177) 0.780 29.453 ( 0.418 0.977 0.478) 1.165 29.484 ( 0.931 0.860 -1.148) 1.710 29.565 ( 0.821 -0.233 1.516) 1.740 29.589 ( -1.118 -0.221 -0.701) 1.337 30.974 ( -2.553 1.544 -0.482) 3.022 31.036 ( 4.101 0.757 -1.031) 4.296 31.194 ( -4.837 -2.120 -4.174) 6.732 31.216 ( 5.052 -2.045 -1.379) 5.622 31.813 ( -0.113 0.327 5.104) 5.116 31.875 ( -0.698 -1.605 -0.829) 1.936 31.986 ( -1.624 3.103 -3.655) 5.063 32.062 ( -5.512 -0.001 -3.000) 6.275 32.188 ( -2.817 3.818 3.702) 6.018 32.270 ( -1.546 -0.035 1.803) 2.375 32.409 ( 0.192 2.122 -1.041) 2.371 32.499 ( 2.397 3.715 -4.061) 6.003 32.974 ( -3.225 -1.367 3.147) 4.709 33.050 ( -2.002 -2.687 -0.046) 3.351 33.220 ( -1.124 -6.622 -1.090) 6.805 33.243 ( 5.997 -5.621 1.603) 8.374 33.443 ( -1.818 6.735 3.053) 7.614 33.501 ( 7.198 5.129 3.816) 9.627 34.339 ( 5.092 0.285 -4.131) 6.563 34.361 ( -5.406 0.902 -11.997) 13.189 34.624 ( -8.985 1.015 -0.582) 9.061 34.733 ( 10.148 -1.348 0.725) 10.263 35.991 ( -6.314 -0.738 10.320) 12.121 36.128 ( 5.938 -4.555 8.254) 11.142 106.322 ( 0.119 0.445 0.620) 0.772 106.340 ( 0.431 0.064 -0.406) 0.596 106.379 ( 0.299 -0.012 0.762) 0.819 106.391 ( -0.141 -0.172 -0.316) 0.386 108.407 ( -0.507 0.743 -0.070) 0.902 108.419 ( 0.392 0.476 -0.488) 0.787 108.487 ( 0.669 -0.419 1.022) 1.291 108.498 ( -0.516 -0.638 -0.183) 0.841 ======================= Grid point 105 (58/84) ======================= q-point: (-0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -19.955 8.180 -0.579) 21.574 1.506 ( -24.650 12.463 5.459) 28.155 1.903 ( 0.756 -4.307 -1.571) 4.647 2.187 ( -7.616 -6.485 1.509) 10.117 2.313 ( -8.104 -2.601 -1.274) 8.606 2.460 ( 8.340 5.339 -4.262) 10.781 2.501 ( -13.668 2.750 2.996) 14.260 2.563 ( 2.997 -2.979 -2.734) 5.033 2.732 ( 0.924 -1.126 -2.694) 3.063 2.835 ( -3.598 5.561 0.411) 6.636 2.874 ( -8.324 1.111 0.212) 8.400 2.950 ( -0.148 0.510 -2.526) 2.581 2.994 ( 5.903 4.707 4.273) 8.675 3.113 ( 6.791 -5.291 0.619) 8.632 3.207 ( -3.131 5.446 6.329) 8.917 3.335 ( 1.000 -3.391 1.352) 3.785 3.382 ( 6.156 1.899 2.635) 6.960 3.564 ( 12.216 -3.176 -2.665) 12.901 3.651 ( 2.271 -2.878 -10.968) 11.565 3.726 ( -2.103 3.074 5.277) 6.459 3.829 ( -4.311 -2.616 -1.938) 5.402 3.835 ( -3.126 4.657 -2.027) 5.964 3.971 ( 1.400 -5.937 0.127) 6.101 4.089 ( 2.230 5.239 1.215) 5.822 4.152 ( -4.743 -6.125 4.536) 8.977 4.205 ( -1.273 -1.172 1.424) 2.241 4.293 ( -2.049 -5.840 -0.259) 6.195 4.403 ( 2.716 5.962 -4.586) 7.997 4.454 ( 3.786 -0.122 -3.421) 5.104 4.555 ( 3.987 1.294 2.287) 4.775 4.644 ( -9.079 2.057 2.304) 9.590 4.725 ( -3.099 4.660 1.525) 5.800 4.896 ( 4.944 3.023 0.552) 5.821 4.982 ( 1.805 -1.895 1.781) 3.166 5.004 ( -7.944 -8.286 -4.966) 12.507 5.086 ( -2.762 -0.382 4.690) 5.456 5.153 ( -3.005 -5.656 -1.805) 6.655 5.282 ( 1.304 -1.994 -2.828) 3.698 5.371 ( 0.617 6.363 -0.795) 6.442 5.416 ( 2.144 2.287 0.326) 3.152 5.483 ( -3.756 2.019 2.473) 4.929 5.502 ( -0.772 -3.695 -0.401) 3.796 5.649 ( 3.291 -0.991 -0.655) 3.499 5.713 ( -0.071 0.134 1.863) 1.869 5.754 ( 3.512 1.350 -2.909) 4.756 5.812 ( -0.580 2.163 2.155) 3.108 5.834 ( 0.997 2.416 3.035) 4.006 5.953 ( 4.336 -3.635 0.935) 5.735 6.136 ( -0.118 -0.796 -2.208) 2.350 6.167 ( 1.746 7.047 0.582) 7.284 6.234 ( 2.227 -3.471 -1.194) 4.293 6.311 ( 4.048 -1.513 0.589) 4.361 6.317 ( -3.217 0.151 -4.770) 5.756 6.422 ( -2.223 0.214 -1.310) 2.589 6.472 ( 4.078 -0.812 2.375) 4.788 6.587 ( -2.045 -1.717 0.578) 2.732 6.632 ( 3.778 2.962 0.155) 4.803 6.669 ( 2.055 -6.808 3.562) 7.954 6.723 ( -0.250 -5.756 -3.129) 6.557 6.780 ( 0.583 -1.756 -1.639) 2.472 6.850 ( -1.152 1.947 2.195) 3.152 6.982 ( 2.489 2.889 -0.274) 3.824 7.069 ( 1.637 4.683 -3.189) 5.897 7.102 ( 4.876 7.794 -2.172) 9.447 7.537 ( -1.016 0.610 -1.407) 1.840 7.636 ( -3.766 -4.080 -2.976) 6.299 7.732 ( 2.049 0.781 0.229) 2.204 7.825 ( 3.515 -1.788 4.718) 6.149 7.968 ( 0.119 3.102 4.301) 5.304 8.005 ( -0.554 1.017 -3.669) 3.848 8.437 ( -4.547 -5.370 -0.316) 7.044 8.543 ( -1.518 -5.376 5.427) 7.788 9.294 ( -1.826 1.203 1.959) 2.936 9.337 ( 0.011 0.764 -1.852) 2.003 9.439 ( -2.308 0.644 0.182) 2.403 9.503 ( 0.018 -0.740 0.213) 0.770 9.695 ( -2.675 2.209 -1.359) 3.726 9.715 ( -0.710 0.484 -2.455) 2.601 9.754 ( -0.987 3.814 0.288) 3.950 9.878 ( 0.919 -0.229 -0.050) 0.949 10.138 ( -0.421 0.097 1.323) 1.392 10.218 ( 2.742 -2.014 -4.440) 5.593 10.484 ( 0.051 0.899 -0.568) 1.064 10.557 ( 3.384 -0.822 2.313) 4.181 10.936 ( -2.308 0.560 2.219) 3.251 11.022 ( -1.479 0.182 -1.492) 2.109 11.072 ( 1.608 1.615 -0.934) 2.463 11.238 ( 8.325 -4.967 -1.175) 9.765 11.556 ( -5.807 2.220 3.421) 7.096 11.825 ( 4.607 -6.426 -0.162) 7.909 12.068 ( -0.114 -0.120 0.272) 0.318 12.106 ( 1.620 -0.284 0.977) 1.913 12.187 ( -3.343 1.215 1.106) 3.725 12.286 ( 0.980 2.506 -1.316) 2.995 12.360 ( -1.268 -1.826 2.823) 3.593 12.435 ( 0.863 -0.884 0.687) 1.413 12.638 ( -0.815 0.777 -0.652) 1.302 12.706 ( 1.041 -0.785 -1.937) 2.335 12.854 ( -1.134 1.661 -2.158) 2.950 12.906 ( 1.636 2.218 -0.414) 2.787 13.053 ( -2.244 0.106 0.383) 2.279 13.111 ( -0.271 -0.337 2.474) 2.512 13.128 ( 0.408 -0.100 0.187) 0.460 13.183 ( 1.881 -1.254 -0.096) 2.262 13.414 ( 1.854 0.428 -1.119) 2.208 13.458 ( 3.474 -1.286 0.867) 3.804 13.530 ( 2.921 0.318 1.346) 3.232 13.573 ( 3.611 -0.504 -1.033) 3.790 13.892 ( -2.350 1.098 0.055) 2.594 13.893 ( -1.991 0.927 -0.453) 2.242 14.019 ( -2.704 -1.340 0.848) 3.135 14.024 ( -3.060 -1.268 -1.826) 3.782 17.037 ( -0.819 1.642 -0.184) 1.845 17.097 ( 1.225 1.534 0.822) 2.129 17.217 ( -1.485 -1.799 0.216) 2.343 17.249 ( -1.187 -1.282 0.228) 1.762 17.271 ( 0.517 0.529 0.746) 1.051 17.325 ( 1.350 -1.332 -0.534) 1.970 17.360 ( -1.380 2.842 -2.001) 3.740 17.434 ( 1.529 1.001 1.353) 2.274 17.625 ( -6.128 -0.316 -8.433) 10.429 17.697 ( -0.871 -2.623 -3.113) 4.163 17.710 ( -1.489 0.064 -0.262) 1.513 17.737 ( -2.323 -0.419 0.494) 2.412 17.770 ( -0.210 -0.677 0.118) 0.718 17.794 ( -0.752 -0.285 0.683) 1.055 17.870 ( 1.089 2.055 -0.025) 2.326 17.895 ( 1.639 1.883 0.913) 2.658 18.409 ( -2.546 -0.597 2.307) 3.487 18.431 ( -0.768 -1.752 5.021) 5.372 18.496 ( 0.253 1.029 -0.944) 1.419 18.528 ( -0.391 -0.241 -0.388) 0.601 18.590 ( -2.477 2.221 3.390) 4.750 18.670 ( -4.007 -0.221 5.071) 6.467 18.751 ( 3.940 2.019 -4.099) 6.033 18.849 ( 2.807 -0.808 -3.208) 4.338 20.241 ( -1.069 0.162 2.520) 2.742 20.316 ( 1.722 1.053 -4.460) 4.896 20.465 ( -2.582 -3.637 -10.040) 10.986 20.533 ( 2.235 -2.031 5.495) 6.270 21.579 ( -3.046 1.350 4.646) 5.718 21.672 ( 0.103 -0.915 -2.539) 2.701 21.844 ( 0.766 -0.023 -1.567) 1.744 21.858 ( 1.117 -0.353 0.865) 1.456 22.214 ( -2.544 0.522 -0.527) 2.650 22.347 ( 1.088 1.503 -0.603) 1.951 22.635 ( -2.662 -5.254 -1.117) 5.995 22.854 ( 6.538 -5.119 1.122) 8.379 25.209 ( -6.257 0.521 3.021) 6.967 25.281 ( -3.766 -1.746 5.033) 6.524 25.472 ( 4.545 1.699 -2.030) 5.260 25.572 ( 8.178 -1.031 -2.923) 8.746 29.160 ( -1.753 0.834 -0.450) 1.993 29.189 ( -0.954 0.151 0.143) 0.976 29.264 ( -1.594 -0.220 -0.397) 1.657 29.290 ( -1.133 -0.198 -0.247) 1.177 29.479 ( 1.754 0.739 0.550) 1.981 29.491 ( 1.758 1.000 -0.456) 2.073 29.569 ( -0.149 0.296 -0.225) 0.400 29.610 ( 1.611 -0.692 1.778) 2.496 30.946 ( -1.084 1.311 0.301) 1.728 31.068 ( 0.131 -1.994 -1.326) 2.398 31.121 ( 1.819 1.587 -1.133) 2.667 31.291 ( 4.889 -3.632 1.811) 6.354 31.783 ( -3.773 0.618 -1.818) 4.234 31.886 ( -2.700 -3.160 0.401) 4.176 31.971 ( -1.114 1.828 3.296) 3.930 31.999 ( -0.132 2.592 2.213) 3.410 32.156 ( -7.715 -1.238 6.132) 9.932 32.297 ( -1.225 -3.567 0.545) 3.811 32.433 ( 5.315 9.797 1.252) 11.216 32.481 ( 1.852 4.892 -3.007) 6.034 32.961 ( -3.264 -0.902 2.126) 3.998 32.988 ( -4.644 -0.733 -1.080) 4.824 33.131 ( -1.517 -2.344 -2.189) 3.548 33.363 ( 1.473 1.332 0.595) 2.073 33.416 ( -1.605 5.642 -0.865) 5.929 33.735 ( 19.009 -3.144 -0.303) 19.270 34.129 ( -8.038 -0.263 -5.628) 9.816 34.333 ( -3.245 -4.967 -0.912) 6.002 34.586 ( 2.265 7.970 3.696) 9.073 34.874 ( 8.214 -1.415 -0.563) 8.354 35.953 ( -9.309 0.124 1.525) 9.434 36.233 ( 2.074 -8.739 -2.996) 9.468 106.332 ( 0.442 0.449 0.330) 0.711 106.342 ( 0.705 0.109 -0.478) 0.859 106.387 ( 0.231 0.037 -0.335) 0.408 106.398 ( 0.826 -0.170 0.708) 1.101 108.398 ( -0.625 1.028 0.027) 1.203 108.419 ( 0.184 0.389 -0.242) 0.493 108.481 ( -0.809 -0.388 -1.033) 1.369 108.504 ( 0.346 -0.655 0.496) 0.892 ======================= Grid point 106 (59/84) ======================= q-point: (-0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -19.700 11.384 18.049) 29.042 1.265 ( -23.107 17.120 12.293) 31.275 1.893 ( -8.479 -4.116 5.865) 11.101 2.054 ( -30.819 8.148 10.018) 33.415 2.197 ( -8.306 -4.014 10.291) 13.821 2.353 ( 2.003 -0.357 4.243) 4.706 2.554 ( 5.195 2.676 -0.963) 5.923 2.586 ( 1.705 -3.438 1.160) 4.009 2.764 ( 5.024 1.137 -2.471) 5.713 2.822 ( 1.893 0.340 -2.884) 3.466 2.832 ( -0.779 3.667 5.629) 6.763 2.988 ( 2.922 -5.771 4.012) 7.612 3.168 ( 7.796 0.676 -0.428) 7.837 3.218 ( 5.844 -3.355 1.166) 6.839 3.273 ( -2.769 -3.159 9.577) 10.458 3.325 ( -0.702 -2.383 -0.166) 2.490 3.481 ( 4.417 3.443 0.398) 5.614 3.500 ( -2.199 -2.370 -6.381) 7.153 3.689 ( 6.426 1.335 1.709) 6.782 3.731 ( -4.179 -1.622 0.002) 4.483 3.806 ( -0.393 2.038 4.024) 4.528 3.843 ( 5.736 5.120 5.146) 9.251 3.901 ( -7.894 -13.672 -4.288) 16.359 4.076 ( -0.548 4.152 -2.095) 4.682 4.195 ( 1.142 1.153 -0.364) 1.663 4.268 ( 0.237 -1.130 9.238) 9.310 4.338 ( 3.987 0.769 5.002) 6.443 4.375 ( 1.468 0.771 -2.383) 2.904 4.465 ( 2.079 -0.936 -0.364) 2.308 4.523 ( -3.630 6.338 -0.318) 7.311 4.707 ( -2.746 5.333 1.828) 6.271 4.725 ( 4.209 -3.701 7.178) 9.106 4.824 ( -7.120 -4.112 -4.263) 9.262 4.923 ( -2.632 -3.237 -1.912) 4.589 4.996 ( -4.677 -2.073 -0.061) 5.116 5.087 ( -0.713 -4.161 -0.766) 4.291 5.114 ( 2.708 0.569 2.909) 4.015 5.223 ( -0.637 2.200 -6.345) 6.746 5.293 ( -5.241 5.709 -1.340) 7.865 5.432 ( 1.152 5.804 -0.547) 5.942 5.510 ( 1.030 -1.639 2.731) 3.348 5.521 ( 0.405 -0.583 -0.946) 1.183 5.625 ( 0.646 -2.593 -6.221) 6.771 5.730 ( -2.704 1.352 1.936) 3.590 5.781 ( -0.602 5.179 0.973) 5.304 5.803 ( 0.882 1.108 1.520) 2.077 5.960 ( 6.473 -1.234 3.098) 7.281 6.020 ( 4.404 -3.819 -4.630) 7.444 6.057 ( 1.611 -4.502 -6.704) 8.235 6.173 ( -2.347 -1.357 -5.697) 6.309 6.213 ( -1.006 0.815 -3.348) 3.590 6.229 ( 6.847 4.509 -2.012) 8.442 6.344 ( -2.113 -6.974 -2.150) 7.597 6.407 ( 3.960 3.270 -2.741) 5.821 6.500 ( 1.952 -1.722 -4.610) 5.294 6.544 ( -2.588 -1.466 -1.270) 3.234 6.647 ( -4.425 -6.522 0.211) 7.884 6.710 ( 3.107 2.870 2.888) 5.122 6.720 ( 3.198 -7.871 -2.606) 8.887 6.801 ( 1.602 -0.057 2.886) 3.301 6.861 ( -1.713 3.167 0.631) 3.656 6.975 ( 1.981 8.777 -3.151) 9.533 7.006 ( -1.922 2.461 -5.058) 5.945 7.140 ( 3.068 8.808 -4.423) 10.322 7.537 ( -0.039 -1.387 -3.575) 3.835 7.550 ( 2.785 -1.304 -0.825) 3.184 7.748 ( 0.427 1.454 -1.064) 1.852 7.906 ( 0.560 -1.061 -1.899) 2.246 7.949 ( 1.000 0.408 -0.510) 1.194 8.027 ( 0.739 2.505 3.900) 4.693 8.330 ( -3.256 -3.103 -6.590) 7.978 8.493 ( -3.946 -2.725 -7.557) 8.950 9.287 ( -1.590 0.193 0.849) 1.813 9.303 ( -0.463 0.455 -2.070) 2.169 9.459 ( -2.117 1.427 6.492) 6.976 9.555 ( 0.272 -0.969 3.128) 3.286 9.648 ( -1.818 0.909 -0.158) 2.038 9.687 ( 0.165 -0.987 2.550) 2.739 9.809 ( 0.880 3.453 6.023) 6.998 9.907 ( 0.015 -0.169 4.542) 4.545 10.182 ( 1.732 -1.227 5.514) 5.908 10.215 ( 3.733 -1.875 -2.534) 4.886 10.501 ( 1.674 1.658 1.774) 2.949 10.617 ( 2.833 -0.886 -0.681) 3.045 10.916 ( -1.108 2.837 -8.096) 8.650 10.957 ( -1.014 0.157 1.604) 1.904 11.042 ( -0.552 -0.906 -5.598) 5.698 11.289 ( 3.897 -6.446 -3.801) 8.437 11.543 ( -1.650 3.932 1.746) 4.608 11.826 ( 3.352 -5.984 -7.032) 9.823 12.097 ( -0.316 -0.979 3.437) 3.587 12.141 ( -0.659 -0.872 1.517) 1.870 12.195 ( -1.558 2.918 5.672) 6.567 12.312 ( 0.946 -0.185 2.594) 2.767 12.412 ( -0.723 -1.221 6.102) 6.265 12.467 ( -0.749 -0.647 3.900) 4.024 12.632 ( 0.682 0.263 0.433) 0.849 12.689 ( 1.271 -0.604 -3.003) 3.317 12.810 ( -1.187 1.295 -2.326) 2.915 12.896 ( 0.102 1.124 -2.571) 2.808 13.038 ( -1.696 0.574 1.013) 2.058 13.139 ( 0.230 0.473 0.524) 0.743 13.151 ( 0.246 -0.755 3.002) 3.106 13.205 ( 1.167 -0.716 -0.069) 1.371 13.436 ( 3.885 1.347 -1.611) 4.416 13.513 ( 3.840 -1.203 -0.739) 4.092 13.587 ( 4.388 -0.569 -1.050) 4.547 13.617 ( 4.302 -0.121 -0.483) 4.330 13.841 ( -2.969 0.538 -1.808) 3.517 13.844 ( -3.268 0.478 -1.230) 3.524 13.934 ( -4.752 -0.409 -2.901) 5.583 13.973 ( -3.763 -1.262 -0.674) 4.026 17.042 ( 1.359 1.239 0.720) 1.974 17.120 ( 0.578 1.831 0.240) 1.935 17.185 ( -0.911 -3.045 -1.622) 3.568 17.230 ( -1.470 -1.112 -0.484) 1.905 17.291 ( 0.491 0.770 0.959) 1.324 17.325 ( -0.409 3.537 -1.310) 3.794 17.337 ( 0.471 -0.689 0.289) 0.883 17.433 ( -4.940 0.925 -5.233) 7.255 17.466 ( 0.033 -0.014 0.906) 0.907 17.560 ( -5.543 -3.214 -7.695) 10.013 17.679 ( -1.778 0.550 -0.785) 2.020 17.719 ( -1.709 -0.297 0.547) 1.818 17.782 ( 0.290 0.149 1.037) 1.087 17.792 ( -1.211 -0.106 1.306) 1.784 17.886 ( 0.267 1.055 0.358) 1.145 17.923 ( -0.370 0.325 1.283) 1.375 18.396 ( -2.599 0.248 1.564) 3.043 18.465 ( 0.757 -0.342 -0.188) 0.852 18.489 ( 0.287 -2.026 -1.133) 2.339 18.499 ( -0.875 -0.422 -2.641) 2.814 18.598 ( -4.027 0.771 4.956) 6.432 18.695 ( -2.654 -2.063 5.330) 6.301 18.772 ( 4.933 2.261 -2.481) 5.967 18.850 ( 2.853 -0.474 -2.587) 3.880 20.199 ( -3.344 -1.244 -6.394) 7.322 20.261 ( -1.342 -3.468 1.281) 3.933 20.411 ( 0.083 4.527 4.246) 6.207 20.622 ( 0.167 -1.958 4.833) 5.217 21.608 ( -3.898 1.047 6.543) 7.688 21.654 ( 0.330 -0.253 -0.807) 0.908 21.853 ( 1.502 0.422 0.526) 1.646 21.910 ( 2.411 -0.669 4.119) 4.820 22.176 ( -0.932 -1.293 -1.026) 1.896 22.303 ( -4.564 -4.175 -2.512) 6.676 22.569 ( -0.266 2.045 -5.536) 5.908 22.925 ( 5.037 -5.007 -3.082) 7.742 25.176 ( -4.858 0.877 4.196) 6.479 25.342 ( -0.029 -5.872 8.166) 10.058 25.514 ( 4.250 2.437 -0.793) 4.963 25.648 ( 7.348 -1.453 -2.468) 7.886 29.130 ( -1.455 0.204 -0.557) 1.571 29.170 ( -1.564 -0.897 -0.296) 1.827 29.233 ( -1.631 0.464 -0.954) 1.945 29.264 ( -1.620 0.472 -0.685) 1.821 29.500 ( 1.248 0.939 0.005) 1.562 29.524 ( 2.057 -0.071 0.474) 2.112 29.579 ( 1.020 1.043 0.658) 1.600 29.649 ( 0.949 -0.981 1.114) 1.762 30.951 ( 0.585 0.973 0.897) 1.447 31.034 ( -2.348 -1.398 0.321) 2.751 31.172 ( 5.681 1.665 -1.732) 6.168 31.388 ( 2.631 -6.630 4.082) 8.219 31.733 ( -3.019 0.865 0.735) 3.226 31.830 ( -4.438 -3.272 1.800) 5.800 31.974 ( -4.610 2.782 3.090) 6.208 32.045 ( -2.451 1.691 -1.648) 3.404 32.115 ( -3.645 -1.013 5.563) 6.728 32.266 ( -0.682 -3.400 -0.093) 3.470 32.441 ( 0.690 9.136 -2.416) 9.475 32.628 ( 6.034 0.124 8.374) 10.322 32.924 ( -3.578 0.377 0.303) 3.610 32.950 ( -0.515 0.042 -0.369) 0.635 33.160 ( 6.407 5.850 2.820) 9.123 33.321 ( 0.992 13.508 -6.870) 15.187 33.364 ( -3.635 1.319 -2.864) 4.812 33.904 ( 11.169 -7.619 -5.975) 14.782 34.092 ( 4.444 0.108 3.623) 5.735 34.301 ( -1.582 -9.348 3.737) 10.191 34.723 ( 6.308 8.359 5.889) 12.014 34.923 ( 0.720 0.888 -2.189) 2.469 35.792 ( -9.302 -0.781 -5.179) 10.675 36.041 ( -10.273 -10.097 -18.982) 23.829 106.340 ( 0.613 0.291 -0.380) 0.778 106.348 ( 0.796 0.411 -0.192) 0.916 106.387 ( 0.406 0.169 -0.333) 0.552 106.413 ( 0.495 -0.261 -0.166) 0.583 108.392 ( -0.237 1.127 0.075) 1.154 108.418 ( -0.032 0.140 -0.116) 0.185 108.450 ( -1.139 0.546 -1.286) 1.802 108.508 ( -0.006 -0.690 -0.219) 0.724 ======================= Grid point 107 (60/84) ======================= q-point: (-0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -17.867 13.808 18.481) 29.179 1.218 ( -13.562 19.861 18.694) 30.461 1.829 ( -17.914 10.258 29.018) 35.611 1.956 ( -6.766 1.146 6.807) 9.666 2.280 ( -4.727 -8.354 14.922) 17.742 2.498 ( 9.962 -6.862 -0.275) 12.100 2.563 ( 0.476 0.023 -2.376) 2.423 2.624 ( 1.979 -0.802 -1.733) 2.751 2.759 ( 2.770 5.912 -3.418) 7.370 2.859 ( 0.141 -5.852 3.048) 6.599 2.919 ( 5.143 -0.665 2.656) 5.826 3.123 ( 2.037 -6.832 10.084) 12.350 3.199 ( -6.629 -9.378 1.121) 11.539 3.230 ( 3.678 -0.942 1.572) 4.109 3.291 ( 0.294 -2.489 -1.215) 2.785 3.411 ( 6.414 -1.607 2.851) 7.200 3.477 ( -1.225 3.099 5.272) 6.237 3.573 ( -1.486 7.299 5.369) 9.182 3.627 ( -7.676 -1.391 0.996) 7.864 3.758 ( 0.071 3.215 2.005) 3.790 3.838 ( 4.007 -4.203 6.188) 8.486 3.924 ( 2.671 -6.290 4.364) 8.108 4.005 ( 7.666 5.883 0.348) 9.670 4.069 ( 1.098 0.133 1.376) 1.766 4.199 ( -0.097 -1.477 1.331) 1.990 4.280 ( -0.745 -2.059 -5.496) 5.916 4.361 ( -0.763 0.782 1.258) 1.667 4.453 ( 0.083 -4.855 2.982) 5.698 4.532 ( 3.694 6.077 3.591) 7.967 4.590 ( 4.716 3.806 10.077) 11.759 4.647 ( -5.889 2.134 -5.581) 8.390 4.697 ( -3.551 4.884 0.210) 6.042 4.864 ( 1.139 -5.200 1.370) 5.496 4.887 ( 4.971 -2.919 3.727) 6.865 4.931 ( -4.818 0.834 1.995) 5.281 5.080 ( 4.218 -5.241 -6.091) 9.076 5.111 ( -3.140 5.941 -5.826) 8.894 5.184 ( -0.569 0.038 -2.015) 2.094 5.242 ( -1.315 6.438 2.023) 6.875 5.384 ( -4.345 -0.563 -4.005) 5.936 5.453 ( -1.571 -1.062 -7.084) 7.333 5.528 ( 0.686 -5.489 0.870) 5.600 5.622 ( 0.780 3.292 2.068) 3.966 5.691 ( -3.648 0.524 0.037) 3.685 5.765 ( -2.938 3.868 0.111) 4.858 5.848 ( 3.472 2.856 -3.329) 5.594 5.897 ( 2.020 2.041 -6.516) 7.121 5.967 ( -0.178 -0.765 -11.526) 11.553 6.016 ( -0.344 -3.481 -2.134) 4.098 6.111 ( -3.411 -2.047 -2.630) 4.769 6.210 ( 5.894 -0.806 -7.301) 9.418 6.247 ( -2.396 -5.104 3.676) 6.731 6.339 ( 4.587 -1.359 -0.879) 4.864 6.388 ( 1.848 -3.560 -1.845) 4.415 6.458 ( -3.316 -0.338 -3.742) 5.011 6.529 ( -0.316 -0.338 -0.148) 0.486 6.611 ( 4.532 -4.708 -0.961) 6.606 6.726 ( 2.605 -9.245 -3.388) 10.185 6.774 ( 0.553 6.203 0.489) 6.247 6.836 ( 1.089 2.755 -0.288) 2.976 6.862 ( 0.258 -0.276 3.719) 3.738 6.898 ( -2.849 2.302 -4.958) 6.164 6.985 ( 3.646 10.954 -3.209) 11.982 7.090 ( -0.171 8.493 -3.874) 9.336 7.500 ( 2.021 -0.787 -3.441) 4.067 7.594 ( 1.309 -1.696 -0.869) 2.312 7.727 ( 0.640 2.811 -2.615) 3.892 7.819 ( -1.066 2.868 -6.582) 7.259 7.988 ( -0.136 -2.173 0.896) 2.355 8.086 ( 1.009 0.723 3.037) 3.281 8.197 ( -2.249 -1.394 -7.789) 8.226 8.301 ( -6.669 1.590 -6.694) 9.582 9.267 ( -2.525 0.126 0.322) 2.548 9.281 ( 0.716 -0.039 -1.306) 1.490 9.503 ( -2.774 1.150 4.130) 5.107 9.564 ( 0.584 -1.002 0.399) 1.227 9.673 ( 1.493 2.032 4.708) 5.341 9.762 ( 0.397 -0.236 6.206) 6.223 9.876 ( -1.785 1.212 5.368) 5.786 9.983 ( 3.368 -0.986 1.424) 3.788 10.250 ( 4.036 -2.115 0.522) 4.587 10.329 ( 6.814 -2.818 1.147) 7.463 10.587 ( 0.029 -0.375 -5.870) 5.882 10.615 ( 5.797 -4.073 5.968) 9.263 10.798 ( -0.850 1.468 -5.152) 5.424 10.883 ( -8.053 -5.345 -6.270) 11.521 11.007 ( 4.789 1.805 -1.136) 5.242 11.238 ( 1.517 -1.464 -10.740) 10.945 11.542 ( -2.372 2.508 3.138) 4.666 11.753 ( -1.239 -4.115 -5.960) 7.348 12.134 ( -1.890 -0.708 4.734) 5.146 12.173 ( 0.676 0.069 3.973) 4.031 12.244 ( -1.540 2.705 5.085) 5.962 12.331 ( -1.840 -0.308 0.866) 2.057 12.465 ( -3.314 -1.421 6.151) 7.130 12.510 ( -2.329 -0.288 5.492) 5.972 12.673 ( 2.405 -0.692 2.034) 3.225 12.680 ( 2.862 -0.518 -1.970) 3.512 12.760 ( -1.141 2.103 -2.255) 3.288 12.855 ( 0.108 1.100 -3.659) 3.822 13.024 ( -1.399 0.247 0.648) 1.561 13.140 ( -0.653 0.659 0.003) 0.928 13.177 ( -0.608 -1.639 1.091) 2.061 13.208 ( 0.029 -0.854 -0.820) 1.184 13.476 ( 4.404 1.999 -1.566) 5.083 13.543 ( 2.371 -0.025 -1.455) 2.782 13.619 ( 3.128 -0.814 -2.288) 3.960 13.663 ( 2.004 -0.719 -1.342) 2.517 13.769 ( -3.434 -0.149 -1.917) 3.936 13.789 ( -0.947 0.229 -1.640) 1.907 13.841 ( -2.669 0.522 -1.823) 3.274 13.910 ( -3.227 -1.026 -1.024) 3.537 17.088 ( 2.049 -0.182 0.369) 2.090 17.117 ( 0.591 0.733 -0.379) 1.015 17.177 ( 1.470 -3.085 -0.747) 3.498 17.194 ( -2.138 -1.411 -1.086) 2.782 17.295 ( -0.910 1.582 0.138) 1.830 17.324 ( 1.289 1.904 1.045) 2.526 17.343 ( -1.280 -0.479 1.037) 1.716 17.407 ( -1.092 -1.843 -2.229) 3.091 17.417 ( 4.003 1.089 1.779) 4.514 17.475 ( -0.473 -0.106 -0.110) 0.497 17.644 ( -1.633 0.820 -1.158) 2.163 17.701 ( -1.768 0.022 0.321) 1.797 17.793 ( -1.117 -0.189 1.471) 1.857 17.802 ( 0.526 0.067 1.022) 1.151 17.882 ( -0.797 0.446 -0.261) 0.949 17.914 ( -1.748 -0.387 -0.116) 1.794 18.380 ( -2.195 0.479 1.145) 2.522 18.432 ( -3.433 -1.158 -1.491) 3.918 18.452 ( 0.798 0.004 -3.717) 3.801 18.482 ( 1.536 -0.005 -2.287) 2.755 18.603 ( -4.487 0.101 4.862) 6.617 18.716 ( -2.917 -3.873 3.959) 6.260 18.789 ( 2.926 1.486 -3.741) 4.977 18.864 ( 2.863 0.076 -2.068) 3.533 20.193 ( 7.180 -0.033 4.000) 8.219 20.305 ( 0.410 -3.937 4.602) 6.070 20.471 ( -0.704 4.791 5.147) 7.067 20.652 ( -2.689 -1.149 2.572) 3.894 21.619 ( -5.379 1.378 5.292) 7.670 21.659 ( 1.075 0.137 0.129) 1.092 21.896 ( 2.191 0.692 2.083) 3.101 22.037 ( 4.992 -1.335 6.389) 8.217 22.161 ( -4.692 -6.159 -0.224) 7.745 22.192 ( -2.198 -2.336 -0.535) 3.251 22.498 ( 0.760 8.378 -5.656) 10.137 22.910 ( 1.894 -4.641 -6.869) 8.504 25.181 ( -3.357 1.278 5.335) 6.431 25.428 ( 1.552 -6.274 1.333) 6.599 25.584 ( 2.759 -2.101 3.325) 4.804 25.710 ( 5.392 -2.111 -2.105) 6.161 29.107 ( -0.909 -0.540 -0.418) 1.137 29.136 ( -2.004 -1.650 -0.917) 2.753 29.201 ( -1.042 2.095 -0.526) 2.398 29.234 ( -1.074 1.065 -0.805) 1.713 29.518 ( 0.895 1.094 0.445) 1.482 29.552 ( 1.058 -0.431 0.415) 1.216 29.603 ( 0.785 1.222 0.675) 1.602 29.662 ( -0.202 -0.690 0.264) 0.766 30.985 ( 2.030 0.379 1.584) 2.603 31.018 ( -1.958 -0.533 1.852) 2.748 31.213 ( 4.572 1.416 -3.503) 5.931 31.414 ( -5.364 -7.887 -0.401) 9.546 31.666 ( -5.152 1.589 0.924) 5.470 31.850 ( -1.315 -2.798 6.587) 7.276 31.904 ( -2.521 3.825 -3.747) 5.918 32.022 ( -0.243 0.336 7.087) 7.099 32.197 ( -1.405 1.817 8.087) 8.407 32.263 ( -1.541 2.260 1.165) 2.973 32.436 ( 0.928 9.596 -0.018) 9.640 32.739 ( 1.189 -6.077 1.209) 6.309 32.879 ( -2.552 1.060 0.013) 2.764 32.933 ( -0.752 -0.188 -1.424) 1.622 33.207 ( -3.090 3.927 -2.133) 5.433 33.215 ( -1.967 10.787 -8.734) 14.018 33.407 ( 13.155 3.701 1.551) 13.754 33.991 ( 13.721 -9.807 -10.206) 19.713 34.179 ( -4.089 -2.593 1.513) 5.073 34.363 ( 2.443 -7.542 1.537) 8.075 34.805 ( -3.454 9.681 -1.099) 10.337 34.928 ( 5.298 3.473 3.977) 7.480 35.569 ( -8.706 -3.971 -9.933) 13.792 35.633 ( -9.857 -2.455 -8.675) 13.358 106.342 ( 0.620 0.380 -0.573) 0.926 106.354 ( 0.426 0.886 -0.507) 1.106 106.388 ( 0.222 -0.117 -0.214) 0.330 106.405 ( -0.650 0.046 -0.352) 0.740 108.392 ( -0.057 1.162 -0.056) 1.164 108.411 ( -0.085 -0.034 -0.365) 0.377 108.434 ( -0.032 0.915 0.228) 0.944 108.499 ( -0.314 -0.599 -0.853) 1.088 ======================= Grid point 108 (61/84) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -0.839 16.392 13.620) 21.328 1.664 ( 2.002 6.110 9.965) 11.859 1.880 ( -3.344 4.706 8.104) 9.950 2.101 ( -5.213 -9.196 5.969) 12.140 2.272 ( -1.320 -1.259 -0.051) 1.825 2.340 ( 2.601 -9.291 -6.483) 11.624 2.607 ( 0.533 7.947 13.674) 15.824 2.716 ( 2.942 -0.794 -10.123) 10.571 2.752 ( 1.166 -3.919 7.738) 8.752 2.792 ( 8.830 -6.216 -6.629) 12.671 2.903 ( -2.167 2.359 8.679) 9.251 3.035 ( -2.090 -4.031 6.742) 8.129 3.175 ( 2.222 1.735 1.294) 3.102 3.279 ( -1.538 -5.970 1.940) 6.463 3.436 ( 0.528 1.695 11.023) 11.165 3.445 ( 5.622 0.761 15.229) 16.252 3.617 ( -5.615 2.422 7.346) 9.558 3.666 ( -1.660 -1.521 3.753) 4.376 3.718 ( 4.326 3.020 5.484) 7.610 3.803 ( 5.398 -6.165 1.876) 8.406 3.967 ( -2.612 1.275 3.758) 4.751 3.969 ( 1.125 3.577 6.103) 7.163 4.016 ( -2.672 1.942 2.304) 4.027 4.098 ( 3.101 -1.231 -5.413) 6.358 4.146 ( -2.416 -0.204 -5.564) 6.069 4.180 ( -0.802 -3.400 -3.935) 5.262 4.331 ( -1.147 3.904 1.380) 4.297 4.432 ( 1.730 -4.748 -4.478) 6.752 4.539 ( -3.859 3.083 4.787) 6.879 4.620 ( -5.128 -4.376 3.602) 7.644 4.782 ( 4.587 4.938 0.848) 6.793 4.851 ( 2.892 4.172 1.075) 5.189 4.874 ( 3.418 3.075 -2.426) 5.199 4.924 ( 2.991 -7.791 0.753) 8.380 4.976 ( -0.521 2.694 -0.564) 2.802 5.035 ( 0.484 -4.074 -0.574) 4.142 5.123 ( -4.660 4.676 -2.954) 7.233 5.178 ( -3.325 1.864 -0.425) 3.835 5.210 ( -2.356 7.391 2.570) 8.172 5.260 ( -3.603 -3.803 2.805) 5.942 5.420 ( -2.396 -0.262 -4.893) 5.454 5.485 ( 5.497 0.337 -0.227) 5.512 5.570 ( -0.009 1.202 -5.421) 5.553 5.673 ( 5.188 -6.416 -3.676) 9.033 5.716 ( -8.067 11.971 -6.664) 15.899 5.778 ( -2.264 0.026 -8.574) 8.868 5.826 ( -4.272 -4.849 -9.114) 11.172 5.901 ( -2.348 -2.355 -4.925) 5.943 5.997 ( 1.909 2.643 1.841) 3.744 6.050 ( 4.702 3.671 1.157) 6.077 6.136 ( -2.214 -6.531 1.554) 7.069 6.186 ( 0.863 -8.756 -1.213) 8.881 6.277 ( -1.636 2.952 0.604) 3.429 6.348 ( 0.185 -4.099 -3.273) 5.248 6.421 ( 5.548 1.055 -0.219) 5.652 6.451 ( 3.313 -2.600 -1.700) 4.541 6.610 ( -0.049 -1.192 -1.196) 1.689 6.631 ( 1.820 -2.594 -1.258) 3.409 6.828 ( -2.901 2.695 -2.126) 4.494 6.848 ( -2.947 0.868 -1.930) 3.628 6.900 ( 1.855 1.934 2.392) 3.592 6.919 ( 1.088 -0.462 4.640) 4.788 7.146 ( 1.015 4.717 -7.341) 8.785 7.162 ( 3.443 3.269 -6.872) 8.353 7.483 ( -0.508 0.787 -1.616) 1.868 7.514 ( -2.368 -2.095 -2.216) 3.861 7.735 ( -0.070 1.295 -3.554) 3.783 7.756 ( -1.940 -0.179 -5.199) 5.552 7.973 ( -0.362 3.410 -0.797) 3.520 8.044 ( 0.793 -3.598 -3.052) 4.784 8.173 ( -1.637 2.476 0.348) 2.988 8.204 ( -2.265 -0.480 -1.281) 2.645 9.253 ( -0.933 1.025 0.205) 1.401 9.272 ( 0.469 -0.888 -0.386) 1.076 9.532 ( -0.395 1.664 1.145) 2.058 9.561 ( 0.611 -1.370 0.378) 1.546 9.812 ( -0.678 1.578 7.587) 7.779 9.838 ( -0.838 -1.092 6.806) 6.943 9.982 ( 2.011 4.219 3.891) 6.082 10.034 ( 4.535 -0.962 0.870) 4.717 10.285 ( 2.126 -0.531 2.163) 3.079 10.329 ( 1.542 -4.304 1.300) 4.753 10.463 ( -2.006 0.674 -8.710) 8.963 10.501 ( -3.664 -4.291 -6.689) 8.751 10.724 ( -0.416 0.949 0.542) 1.169 10.753 ( -1.200 -2.319 0.942) 2.776 11.077 ( 4.175 1.023 -8.012) 9.092 11.099 ( 1.417 -1.023 -9.952) 10.104 11.583 ( -1.820 1.689 2.160) 3.291 11.624 ( -2.144 -2.617 0.069) 3.384 12.186 ( -0.319 1.210 4.191) 4.374 12.214 ( 0.445 -1.729 3.193) 3.658 12.312 ( -2.967 2.134 4.136) 5.520 12.340 ( -0.984 -0.602 2.384) 2.648 12.491 ( -1.442 1.577 4.689) 5.153 12.526 ( -0.094 -1.755 3.803) 4.189 12.695 ( 0.498 0.657 0.195) 0.847 12.710 ( 1.612 -1.056 0.974) 2.159 12.795 ( 2.885 1.767 -1.799) 3.832 12.823 ( 1.563 -0.956 -2.582) 3.166 13.044 ( -0.075 2.202 0.835) 2.356 13.100 ( -0.087 -3.376 -0.564) 3.423 13.146 ( -1.446 0.806 -1.299) 2.104 13.165 ( -1.529 -1.058 -1.445) 2.355 13.540 ( 0.397 1.533 -0.894) 1.819 13.548 ( 0.108 0.706 -1.380) 1.554 13.595 ( -1.614 -0.595 -1.962) 2.609 13.601 ( -2.294 -1.195 -1.711) 3.101 13.750 ( 1.307 2.064 -0.326) 2.465 13.782 ( 2.543 -0.812 -1.400) 3.014 13.825 ( 0.287 0.106 -0.779) 0.837 13.843 ( -0.320 -1.294 -1.424) 1.950 17.092 ( -1.405 0.235 -0.133) 1.430 17.098 ( -2.096 -0.390 -0.543) 2.200 17.121 ( 0.285 -0.513 -1.365) 1.486 17.137 ( 1.433 -2.015 -1.219) 2.757 17.310 ( -1.137 1.042 0.727) 1.705 17.322 ( -1.200 -0.174 0.437) 1.289 17.414 ( 2.452 1.108 0.681) 2.776 17.429 ( 3.110 -0.494 0.061) 3.149 17.493 ( 4.228 1.670 1.807) 4.892 17.530 ( 6.248 -2.165 1.872) 6.873 17.621 ( -1.237 1.237 -1.835) 2.535 17.647 ( -2.851 -1.494 -1.608) 3.598 17.801 ( -0.401 0.565 0.973) 1.195 17.813 ( 0.121 -0.669 0.618) 0.919 17.871 ( -0.755 0.509 -0.424) 1.004 17.879 ( -0.612 -0.333 -0.630) 0.940 18.369 ( -2.195 0.724 0.477) 2.361 18.378 ( -1.978 -0.247 1.059) 2.258 18.444 ( 1.766 1.221 -3.155) 3.816 18.464 ( 1.692 -0.777 -3.032) 3.558 18.614 ( -4.575 1.580 5.382) 7.238 18.655 ( -4.903 -2.847 5.901) 8.183 18.829 ( 3.426 2.221 -3.479) 5.364 18.861 ( 2.717 -1.230 -2.900) 4.160 20.312 ( 0.960 -0.132 3.331) 3.469 20.338 ( 5.754 -2.944 2.494) 6.928 20.592 ( -0.034 2.443 3.786) 4.506 20.622 ( -1.761 -0.734 2.338) 3.018 21.651 ( -2.852 2.353 3.575) 5.143 21.683 ( 0.101 -0.961 2.131) 2.340 21.969 ( 0.816 0.690 2.225) 2.468 21.996 ( -2.396 -2.275 1.237) 3.528 22.167 ( 2.749 1.071 3.412) 4.511 22.196 ( 1.798 -2.047 4.232) 5.034 22.585 ( -0.224 6.777 -5.540) 8.756 22.707 ( -1.233 -6.195 -8.222) 10.368 25.259 ( -2.144 3.497 5.697) 7.020 25.344 ( -1.455 -5.510 3.883) 6.896 25.614 ( 0.552 2.025 -0.898) 2.283 25.674 ( 1.861 -3.867 -2.358) 4.897 29.085 ( -0.095 -0.058 -0.406) 0.421 29.091 ( 0.186 -0.741 -0.700) 1.036 29.225 ( 0.060 1.091 -0.205) 1.112 29.232 ( 0.101 0.308 -0.468) 0.569 29.555 ( 0.281 0.850 0.558) 1.055 29.563 ( 0.107 -0.026 0.389) 0.404 29.633 ( -0.291 0.713 0.719) 1.054 29.646 ( -0.622 -0.646 0.253) 0.932 31.030 ( 0.310 0.423 2.467) 2.522 31.040 ( 2.075 -0.689 2.259) 3.144 31.234 ( -0.667 1.566 -2.562) 3.076 31.260 ( -1.625 -1.103 -3.032) 3.612 31.681 ( -1.446 1.615 2.342) 3.191 31.730 ( -3.014 -3.776 0.913) 4.917 32.042 ( 2.630 3.291 4.792) 6.381 32.094 ( 2.327 -2.459 4.347) 5.510 32.323 ( -2.962 2.063 9.151) 9.837 32.333 ( -4.035 1.598 7.499) 8.664 32.589 ( 2.950 4.121 -1.815) 5.383 32.643 ( 0.713 -2.769 -2.682) 3.920 32.884 ( -2.081 1.864 0.182) 2.800 32.904 ( -1.454 -0.257 -0.195) 1.489 33.246 ( -0.406 8.407 -0.804) 8.455 33.334 ( 1.117 8.466 -4.019) 9.437 33.486 ( 0.926 -2.335 -3.630) 4.414 33.713 ( 1.050 -17.252 -9.961) 19.948 34.093 ( -0.524 3.569 -5.057) 6.212 34.165 ( -1.315 -3.910 -7.455) 8.520 35.014 ( -0.473 9.270 4.409) 10.276 35.102 ( 5.329 0.409 2.446) 5.878 35.382 ( -4.426 -2.636 -5.065) 7.224 35.405 ( 2.430 -4.639 -4.321) 6.789 106.355 ( 0.335 0.670 -0.232) 0.784 106.361 ( 0.113 0.230 -0.531) 0.590 106.384 ( -0.370 0.114 -0.110) 0.403 106.392 ( -0.323 -0.469 -0.365) 0.677 108.406 ( 0.169 0.588 -0.046) 0.614 108.412 ( 0.579 -0.128 -0.228) 0.636 108.453 ( 0.019 0.752 -0.136) 0.765 108.468 ( -0.335 -0.818 -0.789) 1.185 ======================= Grid point 109 (62/84) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 6.476 10.516 11.062) 16.580 1.854 ( 8.970 0.051 4.227) 9.916 1.942 ( 5.073 8.587 3.147) 10.458 2.049 ( 3.475 1.193 -3.685) 5.204 2.273 ( 0.651 -3.968 3.931) 5.623 2.409 ( 9.523 -11.812 -1.806) 15.280 2.631 ( 4.131 -0.488 -8.814) 9.746 2.723 ( 5.053 -6.519 -9.298) 12.429 2.767 ( 1.958 5.792 3.329) 6.961 2.879 ( 5.044 -5.021 -1.338) 7.242 2.998 ( -2.969 4.989 8.543) 10.329 3.118 ( -7.108 -2.749 16.360) 18.048 3.173 ( -3.163 2.972 -3.288) 5.445 3.307 ( 2.851 -8.274 -1.863) 8.947 3.562 ( -3.490 2.963 5.629) 7.255 3.646 ( -5.611 0.727 10.089) 11.567 3.660 ( 0.527 -0.109 9.411) 9.427 3.700 ( -2.553 -2.933 3.707) 5.373 3.848 ( 4.565 2.493 -5.198) 7.354 3.869 ( -1.185 -0.909 5.369) 5.573 3.907 ( -4.621 -0.987 -3.086) 5.644 3.937 ( -2.072 -1.837 -10.486) 10.846 3.977 ( 1.736 2.709 -2.505) 4.078 4.039 ( 2.147 -2.319 2.253) 3.881 4.138 ( 3.696 0.302 4.818) 6.079 4.142 ( 1.945 0.034 -3.892) 4.351 4.341 ( -4.116 7.297 2.107) 8.639 4.398 ( 1.573 -0.257 0.014) 1.594 4.571 ( 1.319 0.018 1.889) 2.304 4.644 ( 0.760 -5.857 4.561) 7.462 4.804 ( 2.474 5.705 -5.485) 8.292 4.850 ( -1.645 0.383 -4.366) 4.681 4.883 ( 0.459 6.346 -2.401) 6.800 4.924 ( 0.526 1.270 -1.030) 1.718 4.967 ( -4.247 -3.536 -6.803) 8.765 4.994 ( -0.004 -6.758 3.274) 7.510 5.075 ( -6.407 4.911 6.141) 10.144 5.104 ( -4.190 5.221 5.175) 8.462 5.196 ( -5.985 -3.286 -2.096) 7.142 5.264 ( -2.707 -2.990 8.039) 8.994 5.364 ( 2.116 3.789 -3.290) 5.446 5.438 ( -2.816 0.959 -1.438) 3.304 5.540 ( -2.796 1.899 -5.433) 6.398 5.614 ( 3.733 0.474 -7.655) 8.530 5.686 ( 0.587 5.716 3.176) 6.565 5.740 ( 5.551 -0.652 -2.348) 6.062 5.764 ( 5.625 -3.575 2.067) 6.979 5.819 ( -1.888 -5.070 -3.476) 6.431 6.031 ( -0.057 2.652 -0.893) 2.799 6.092 ( -1.853 1.673 -1.793) 3.073 6.133 ( 0.644 -5.329 -1.062) 5.471 6.184 ( 1.232 -2.943 4.564) 5.568 6.258 ( 0.914 0.733 -1.551) 1.943 6.337 ( 1.195 -5.968 -1.871) 6.368 6.464 ( 2.979 3.376 -2.945) 5.380 6.500 ( 3.471 -1.012 -2.487) 4.388 6.557 ( -4.876 -0.600 -1.409) 5.111 6.583 ( -5.053 -3.129 -1.774) 6.203 6.751 ( -3.992 0.577 0.699) 4.094 6.757 ( -3.675 0.009 2.050) 4.208 6.987 ( 2.924 2.567 2.118) 4.430 7.005 ( 2.841 0.592 1.857) 3.446 7.071 ( 0.643 5.736 -3.860) 6.944 7.141 ( 4.108 -1.005 -5.132) 6.650 7.450 ( -3.212 -0.697 -0.317) 3.302 7.460 ( -2.443 -1.752 0.603) 3.066 7.669 ( -3.834 1.828 -1.164) 4.405 7.686 ( -2.171 -0.246 -1.270) 2.528 7.977 ( 1.066 3.107 0.446) 3.315 8.030 ( 2.404 -2.469 -2.649) 4.347 8.150 ( -2.672 2.159 1.080) 3.601 8.182 ( -1.076 -0.969 0.820) 1.664 9.252 ( 0.060 1.577 0.611) 1.693 9.280 ( 1.281 -1.275 -0.276) 1.829 9.546 ( 0.486 1.662 0.654) 1.851 9.572 ( 1.423 -1.166 -0.793) 2.004 9.880 ( -1.544 0.589 5.198) 5.455 9.896 ( -2.026 -0.890 5.077) 5.538 10.036 ( 2.468 3.607 -1.157) 4.521 10.081 ( 2.985 -0.712 -2.818) 4.166 10.301 ( -1.110 0.499 -1.616) 2.023 10.327 ( -3.893 -2.386 -1.329) 4.755 10.354 ( -0.010 2.567 -3.963) 4.721 10.431 ( 3.254 -5.348 1.243) 6.382 10.744 ( 0.323 0.419 1.710) 1.790 10.756 ( -0.324 -1.036 0.140) 1.094 10.967 ( -2.326 2.958 -5.900) 6.998 11.044 ( 2.153 -5.480 -5.198) 7.854 11.595 ( -1.455 0.429 2.655) 3.058 11.614 ( -1.410 -1.547 1.426) 2.532 12.233 ( 0.769 0.946 2.660) 2.926 12.254 ( 1.347 -1.333 1.373) 2.340 12.326 ( -1.261 1.679 2.703) 3.423 12.355 ( -1.020 -1.238 1.921) 2.502 12.545 ( 1.671 2.661 3.116) 4.425 12.586 ( 1.959 -1.641 2.564) 3.620 12.675 ( -1.619 2.455 -1.634) 3.364 12.722 ( 0.449 -2.496 -1.152) 2.785 12.813 ( 2.632 0.884 -2.339) 3.630 12.835 ( 3.108 -1.310 -1.102) 3.548 13.069 ( 0.078 0.791 1.549) 1.741 13.086 ( -0.938 -0.411 -2.017) 2.262 13.123 ( -0.311 -0.700 0.220) 0.797 13.128 ( 0.054 -1.272 0.541) 1.383 13.504 ( -3.206 1.559 -0.584) 3.613 13.517 ( -2.750 0.449 -0.340) 2.807 13.535 ( -4.067 0.520 0.490) 4.129 13.570 ( -1.755 -2.391 0.047) 2.966 13.779 ( 3.082 2.460 -0.684) 4.003 13.795 ( 2.879 0.765 -2.271) 3.746 13.824 ( 1.081 0.051 -0.430) 1.165 13.859 ( 3.267 -2.722 -0.569) 4.290 17.068 ( -1.440 0.115 0.284) 1.472 17.080 ( -1.045 -1.031 0.786) 1.665 17.124 ( 1.597 0.548 -0.534) 1.771 17.149 ( 2.040 -2.056 -0.565) 2.951 17.304 ( -1.148 0.823 0.935) 1.694 17.312 ( -1.256 0.024 0.623) 1.402 17.435 ( 0.236 0.620 -0.972) 1.177 17.442 ( 0.989 -0.107 -0.868) 1.320 17.518 ( -2.036 0.834 -3.501) 4.135 17.538 ( -2.578 -1.317 -3.258) 4.359 17.626 ( 4.397 2.397 0.379) 5.022 17.672 ( 5.215 -2.466 0.533) 5.793 17.812 ( 0.338 0.263 0.761) 0.874 17.822 ( 0.521 -0.815 0.242) 0.997 17.870 ( 0.919 0.795 0.504) 1.316 17.882 ( 1.480 -0.432 0.135) 1.548 18.352 ( -1.415 1.290 0.949) 2.137 18.371 ( -1.357 -0.545 1.209) 1.898 18.436 ( 1.867 1.012 -1.958) 2.889 18.453 ( 1.696 -0.791 -2.077) 2.796 18.620 ( -4.319 2.060 5.216) 7.079 18.658 ( -5.039 -2.010 5.416) 7.666 18.834 ( 3.626 1.650 -3.408) 5.242 18.860 ( 2.816 -1.205 -3.158) 4.399 20.308 ( -3.553 2.551 -0.355) 4.388 20.377 ( -1.214 -4.786 -1.642) 5.204 20.661 ( 3.589 0.870 1.370) 3.939 20.667 ( 4.286 0.082 2.253) 4.843 21.660 ( -1.486 3.219 2.605) 4.400 21.715 ( 0.852 -2.401 1.628) 3.023 21.979 ( -0.417 1.915 0.692) 2.078 22.023 ( 2.489 -2.515 1.648) 3.903 22.230 ( 0.245 1.137 1.820) 2.160 22.240 ( -0.497 0.202 -0.592) 0.799 22.533 ( -1.652 0.759 0.733) 1.960 22.567 ( -3.833 -2.658 -6.760) 8.213 25.299 ( -1.939 2.867 4.826) 5.939 25.360 ( -1.156 -3.313 1.631) 3.870 25.593 ( -2.104 1.453 -0.631) 2.634 25.649 ( -0.741 -4.084 -2.714) 4.960 29.090 ( 1.419 0.057 -0.248) 1.442 29.099 ( 1.753 -0.871 -0.313) 1.983 29.229 ( 0.748 1.131 -0.077) 1.359 29.237 ( 1.302 0.229 -0.246) 1.345 29.555 ( -1.163 0.636 0.104) 1.330 29.560 ( -0.767 0.225 0.063) 0.802 29.634 ( -1.072 0.112 0.451) 1.168 29.635 ( -1.005 0.027 0.543) 1.143 31.064 ( 0.792 1.370 0.752) 1.752 31.093 ( 1.806 -1.723 -0.107) 2.498 31.186 ( -0.973 2.911 -0.497) 3.110 31.235 ( 1.719 -2.029 -0.182) 2.665 31.717 ( 0.689 -0.169 3.184) 3.262 31.726 ( 0.636 -1.481 1.436) 2.158 32.094 ( -2.036 1.862 0.310) 2.776 32.125 ( -0.773 -1.215 -1.504) 2.082 32.371 ( -2.880 3.988 7.428) 8.909 32.423 ( -0.567 -1.975 9.420) 9.642 32.618 ( 4.823 3.673 -2.824) 6.687 32.634 ( 4.566 1.652 -5.137) 7.069 32.849 ( -2.880 2.629 0.481) 3.929 32.883 ( -1.925 -0.625 0.810) 2.180 33.217 ( -2.599 7.985 0.051) 8.398 33.302 ( 0.966 11.347 -3.959) 12.056 33.408 ( -8.721 -11.264 1.584) 14.333 33.526 ( -7.489 -12.086 -7.330) 15.996 34.138 ( 9.748 0.477 -0.719) 9.786 34.176 ( 11.233 -3.230 -1.862) 11.836 35.033 ( -3.021 8.074 3.475) 9.294 35.151 ( 0.017 -2.169 -0.951) 2.368 35.286 ( -1.767 3.738 -2.416) 4.789 35.418 ( 3.987 -8.056 -3.436) 9.623 106.347 ( -0.750 0.877 -0.303) 1.193 106.356 ( -0.120 0.165 -0.255) 0.327 106.379 ( -0.461 0.067 0.177) 0.498 106.388 ( 0.091 -0.714 0.083) 0.725 108.408 ( 0.222 0.650 -0.121) 0.697 108.416 ( 0.562 -0.206 -0.484) 0.770 108.456 ( 0.201 -0.066 0.056) 0.219 108.457 ( 0.109 -0.128 -0.159) 0.231 ======================= Grid point 110 (63/84) ======================= q-point: ( 0.22 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 9.943 4.291 -4.139) 11.594 1.953 ( 10.342 -2.879 -6.109) 12.351 2.138 ( 6.507 7.710 8.925) 13.470 2.206 ( 11.674 10.358 5.495) 16.546 2.362 ( 4.436 -3.608 1.006) 5.806 2.514 ( 10.101 3.541 -1.732) 10.843 2.588 ( 7.503 -7.883 -10.225) 14.933 2.734 ( 7.211 -6.697 -3.242) 10.362 2.789 ( 2.245 1.308 -1.541) 3.021 2.876 ( 3.527 -5.549 -7.814) 10.212 3.010 ( -11.066 6.226 -3.107) 13.072 3.042 ( -2.506 4.507 3.176) 6.056 3.188 ( -5.705 -6.065 5.633) 10.053 3.247 ( -4.739 -12.588 -3.662) 13.940 3.476 ( -2.831 3.903 -8.303) 9.601 3.540 ( -5.989 0.375 -5.774) 8.327 3.664 ( -3.846 1.805 -10.254) 11.100 3.720 ( -4.626 -3.893 -8.648) 10.551 3.740 ( 0.667 0.377 -3.340) 3.427 3.803 ( 0.196 -4.417 1.926) 4.822 3.853 ( -3.005 2.894 6.539) 7.757 3.917 ( 1.989 -2.857 4.941) 6.044 4.066 ( 0.697 4.585 -4.039) 6.150 4.091 ( 0.652 3.227 3.866) 5.078 4.196 ( 2.454 3.135 0.458) 4.007 4.247 ( -1.912 -1.180 8.562) 8.852 4.322 ( 4.309 5.699 -5.957) 9.302 4.396 ( 0.983 -0.153 -3.082) 3.239 4.644 ( 1.419 2.464 0.162) 2.848 4.708 ( -1.795 0.521 5.581) 5.885 4.736 ( 5.212 -5.775 1.611) 7.944 4.766 ( -4.960 -1.771 -2.627) 5.886 4.845 ( -2.613 -0.334 -3.728) 4.565 4.864 ( 0.520 -0.643 -2.774) 2.894 4.930 ( 0.685 7.464 1.011) 7.563 5.039 ( -0.750 -0.978 7.222) 7.326 5.068 ( -1.094 2.962 -0.400) 3.183 5.115 ( -4.139 3.168 0.626) 5.250 5.175 ( -0.946 -0.122 9.094) 9.144 5.225 ( -5.461 -10.038 2.276) 11.652 5.374 ( -1.195 -1.519 0.339) 1.963 5.439 ( -1.481 -5.618 0.215) 5.814 5.503 ( 5.271 10.327 2.461) 11.852 5.654 ( 0.279 -0.336 1.030) 1.118 5.675 ( 2.016 1.164 3.329) 4.063 5.744 ( -5.037 -4.825 3.227) 7.685 5.838 ( 0.654 2.380 -1.016) 2.669 5.876 ( -0.119 -2.056 0.297) 2.080 5.956 ( -0.473 6.122 -2.206) 6.525 6.058 ( 3.449 -1.684 -1.764) 4.224 6.166 ( 1.823 4.202 2.814) 5.376 6.217 ( -3.713 1.983 -0.260) 4.217 6.291 ( -3.144 -2.098 -2.478) 4.520 6.297 ( 2.113 -5.070 0.509) 5.516 6.415 ( -8.980 -0.454 -1.232) 9.076 6.437 ( 0.553 -0.842 -0.408) 1.087 6.499 ( 1.531 -3.332 -1.270) 3.881 6.542 ( 4.718 -5.463 -0.313) 7.226 6.776 ( -0.168 1.997 4.530) 4.953 6.793 ( -1.729 0.663 4.648) 5.003 7.007 ( 2.762 6.092 -1.819) 6.932 7.036 ( 3.066 3.029 -2.922) 5.208 7.087 ( 1.274 0.832 1.015) 1.829 7.120 ( 2.574 -1.408 -6.106) 6.774 7.407 ( -2.120 -0.287 0.248) 2.154 7.438 ( -3.626 -3.682 2.032) 5.552 7.638 ( -4.055 1.998 5.267) 6.940 7.655 ( -3.965 0.343 3.742) 5.463 7.996 ( 0.271 2.028 0.210) 2.056 8.040 ( 2.024 -2.736 -0.851) 3.508 8.137 ( -1.708 3.128 1.806) 3.995 8.191 ( -0.992 -2.341 3.064) 3.982 9.267 ( 0.694 1.808 0.670) 2.049 9.299 ( 1.724 -1.525 -0.158) 2.307 9.560 ( 0.838 1.628 0.233) 1.846 9.586 ( 1.870 -1.063 -0.547) 2.220 9.882 ( -1.042 0.874 -2.121) 2.520 9.904 ( -0.946 -1.471 -1.417) 2.251 10.020 ( 1.226 1.478 -5.630) 5.949 10.043 ( 0.322 -0.741 -4.825) 4.892 10.250 ( -1.352 0.892 -1.420) 2.154 10.261 ( -1.563 -0.105 -0.356) 1.607 10.391 ( 1.037 5.523 5.827) 8.095 10.526 ( 1.250 -8.521 5.701) 10.328 10.752 ( 0.272 0.789 0.050) 0.837 10.764 ( -0.008 -0.474 0.461) 0.661 10.905 ( -1.450 4.774 1.230) 5.139 11.013 ( -0.354 -6.647 -1.925) 6.929 11.603 ( -1.592 -0.500 1.835) 2.480 11.608 ( -1.316 -1.007 0.554) 1.747 12.268 ( 1.692 0.361 -0.953) 1.975 12.278 ( 1.859 -0.705 -2.156) 2.933 12.340 ( 0.010 1.526 1.067) 1.863 12.369 ( 0.240 -1.481 1.855) 2.385 12.586 ( -2.466 1.304 0.902) 2.931 12.605 ( -3.738 -0.279 0.433) 3.773 12.643 ( 4.554 3.514 -2.967) 6.473 12.716 ( 3.645 -3.485 -3.265) 6.007 12.817 ( 2.132 0.819 -2.010) 3.042 12.846 ( 1.300 -1.906 -2.329) 3.278 13.053 ( -0.209 0.851 -0.624) 1.076 13.073 ( -0.486 -1.358 1.528) 2.102 13.148 ( 0.787 0.848 1.993) 2.304 13.169 ( 0.889 -1.357 2.492) 2.973 13.448 ( -3.619 2.209 -0.363) 4.256 13.474 ( -3.423 -0.447 0.515) 3.491 13.497 ( -3.793 1.197 1.893) 4.405 13.543 ( -3.027 -3.099 0.959) 4.437 13.812 ( 3.112 2.018 -0.913) 3.820 13.814 ( 2.762 0.806 -0.370) 2.901 13.852 ( 2.384 0.968 0.700) 2.667 13.900 ( 3.068 -3.111 -0.016) 4.370 17.058 ( -0.903 0.589 0.475) 1.178 17.081 ( -0.531 -1.685 0.854) 1.962 17.148 ( 2.079 1.331 0.118) 2.471 17.177 ( 1.957 -1.618 0.230) 2.549 17.305 ( -0.562 0.647 1.259) 1.523 17.313 ( -0.006 -0.485 1.690) 1.759 17.402 ( -1.299 1.309 -2.304) 2.951 17.420 ( -0.105 -0.675 -3.608) 3.672 17.457 ( -1.334 0.548 -2.584) 2.959 17.472 ( -0.051 -0.828 -0.785) 1.142 17.680 ( 2.371 2.197 0.109) 3.234 17.720 ( 2.011 -1.896 -0.361) 2.787 17.822 ( 0.465 0.477 -0.202) 0.696 17.832 ( 0.653 -0.585 -0.271) 0.918 17.907 ( 2.525 0.481 0.501) 2.619 17.918 ( 2.680 -0.744 0.607) 2.847 18.350 ( -1.242 1.155 1.333) 2.157 18.368 ( -1.293 -0.717 1.203) 1.906 18.449 ( 2.146 0.707 -0.372) 2.289 18.461 ( 1.634 -0.564 -0.473) 1.792 18.624 ( -4.141 1.955 4.597) 6.489 18.655 ( -4.909 -1.447 5.016) 7.166 18.841 ( 3.544 1.177 -3.521) 5.132 18.860 ( 2.763 -0.914 -3.144) 4.284 20.238 ( -2.943 3.217 -2.092) 4.836 20.307 ( -3.253 -4.002 -2.762) 5.850 20.714 ( 4.051 1.502 -2.479) 4.981 20.740 ( 4.004 -1.267 -0.984) 4.314 21.672 ( -0.564 3.555 1.205) 3.796 21.741 ( 0.696 -3.711 0.374) 3.794 22.001 ( 2.547 4.615 0.074) 5.272 22.087 ( 3.229 -4.633 1.424) 5.824 22.161 ( -2.702 2.462 -5.127) 6.297 22.206 ( -2.021 -2.225 -4.036) 5.032 22.470 ( -3.829 3.853 1.246) 5.573 22.552 ( -3.160 -4.754 6.041) 8.311 25.327 ( -1.860 1.793 3.527) 4.372 25.359 ( -0.261 -1.520 0.113) 1.547 25.543 ( -3.730 1.047 -0.649) 3.928 25.587 ( -2.323 -3.542 -3.191) 5.303 29.116 ( 2.455 0.407 0.005) 2.488 29.130 ( 2.872 -1.101 0.042) 3.076 29.242 ( 1.158 1.379 -0.033) 1.801 29.257 ( 1.657 -0.189 -0.101) 1.671 29.530 ( -2.040 0.827 -0.233) 2.213 29.541 ( -1.793 -0.254 -0.248) 1.828 29.617 ( -1.530 0.837 0.097) 1.747 29.631 ( -1.137 -0.692 0.661) 1.487 31.055 ( 0.410 1.810 -2.695) 3.272 31.086 ( 0.394 -1.187 -1.895) 2.270 31.200 ( 2.000 4.200 -0.063) 4.653 31.299 ( 3.387 -6.018 2.272) 7.269 31.769 ( 2.775 1.270 2.552) 3.979 31.786 ( 1.006 -0.763 3.960) 4.156 32.021 ( -3.502 1.427 -3.117) 4.900 32.059 ( -3.622 -1.962 -1.849) 4.516 32.420 ( -0.857 4.724 1.879) 5.156 32.490 ( -0.520 -1.976 -0.957) 2.256 32.581 ( -2.400 7.576 -3.373) 8.633 32.643 ( 2.151 0.459 -1.848) 2.873 32.856 ( 1.155 -0.077 1.913) 2.236 32.879 ( -0.770 -2.312 2.367) 3.397 33.204 ( -4.736 1.740 2.192) 5.501 33.214 ( -3.861 1.052 2.220) 4.577 33.376 ( 1.807 0.673 -0.716) 2.057 33.425 ( -2.335 -3.700 1.724) 4.703 34.254 ( 7.327 -0.722 -2.037) 7.639 34.309 ( 7.876 -6.073 -2.699) 10.305 35.032 ( -2.007 5.185 0.044) 5.560 35.106 ( -0.714 -0.991 -5.083) 5.228 35.297 ( 1.610 5.815 7.300) 9.471 35.439 ( 2.512 -7.643 2.379) 8.390 106.334 ( -0.816 0.915 -0.007) 1.226 106.348 ( -0.572 -0.482 -0.123) 0.758 106.377 ( -0.322 0.608 0.348) 0.771 106.391 ( -0.091 -0.776 0.288) 0.832 108.410 ( 0.420 0.347 -0.136) 0.561 108.416 ( 0.431 -0.181 -0.573) 0.739 108.456 ( 0.255 0.671 0.009) 0.718 108.469 ( 0.413 -0.611 0.566) 0.930 ======================= Grid point 111 (64/84) ======================= q-point: ( 0.33 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 7.569 3.902 -6.702) 10.837 2.012 ( 7.261 -4.655 -6.277) 10.668 2.246 ( 9.581 9.153 -7.922) 15.438 2.369 ( 5.898 -4.537 -6.383) 9.804 2.422 ( 7.486 8.798 -1.001) 11.595 2.559 ( 4.794 1.795 -3.674) 6.301 2.636 ( 4.137 1.819 -2.558) 5.193 2.730 ( -3.245 7.461 -7.441) 11.026 2.806 ( 8.515 -8.618 -5.247) 13.202 2.828 ( -1.756 -2.316 -6.727) 7.329 2.908 ( 4.817 0.537 -0.130) 4.849 3.020 ( 0.784 -8.248 -1.462) 8.413 3.105 ( -5.780 -2.592 1.254) 6.458 3.135 ( -7.196 -7.273 -2.908) 10.636 3.366 ( -0.529 6.094 -1.001) 6.199 3.438 ( -2.567 2.558 -8.225) 8.988 3.473 ( -7.517 -0.351 -4.898) 8.979 3.568 ( -4.134 -8.027 -1.758) 9.198 3.695 ( 0.641 2.400 -7.278) 7.690 3.750 ( 6.091 -1.443 -1.126) 6.360 3.881 ( -4.703 8.088 -5.205) 10.706 3.990 ( -0.080 -1.390 -3.202) 3.492 4.043 ( -1.322 1.988 7.971) 8.321 4.138 ( -2.232 -0.851 4.697) 5.269 4.198 ( 0.221 6.884 -6.821) 9.693 4.230 ( 1.899 -3.472 -2.257) 4.556 4.287 ( -4.370 -0.883 1.749) 4.789 4.339 ( -0.221 -3.996 -4.325) 5.892 4.614 ( -7.270 10.977 -2.772) 13.455 4.719 ( -1.753 1.202 2.165) 3.034 4.757 ( 2.438 0.793 -0.825) 2.693 4.789 ( 0.096 -0.920 0.369) 0.996 4.804 ( 1.430 -1.161 -5.454) 5.757 4.851 ( 5.551 -7.617 1.045) 9.482 4.984 ( 2.942 7.471 0.993) 8.090 5.081 ( 2.332 0.270 0.410) 2.383 5.106 ( 2.472 -2.754 2.097) 4.253 5.141 ( -2.661 -6.817 1.991) 7.584 5.219 ( 0.781 -0.707 9.398) 9.456 5.320 ( 0.687 -7.998 9.059) 12.104 5.381 ( 2.458 2.263 2.550) 4.203 5.442 ( -0.288 -3.615 2.109) 4.195 5.581 ( -2.944 8.994 4.545) 10.498 5.666 ( 0.339 2.193 2.003) 2.989 5.707 ( -10.180 2.683 1.793) 10.679 5.764 ( 0.145 1.788 3.306) 3.762 5.802 ( 1.396 -3.219 5.545) 6.562 5.839 ( -2.444 -5.967 -1.105) 6.542 5.935 ( -3.765 6.117 1.192) 7.281 6.075 ( -6.339 -6.333 -0.951) 9.011 6.130 ( 0.986 3.462 1.565) 3.925 6.212 ( -1.309 -4.125 -0.295) 4.338 6.218 ( 1.141 4.257 2.240) 4.944 6.312 ( -1.154 -4.063 2.141) 4.736 6.394 ( 1.570 5.991 3.459) 7.094 6.519 ( 3.722 -4.964 2.159) 6.569 6.560 ( 7.386 1.975 0.242) 7.649 6.623 ( 1.601 -2.054 1.788) 3.159 6.776 ( -1.642 1.828 -0.663) 2.545 6.808 ( -3.051 -0.197 3.187) 4.417 7.012 ( -0.596 4.507 -2.824) 5.352 7.040 ( 4.216 1.658 -2.772) 5.311 7.071 ( 1.434 1.135 -4.459) 4.819 7.105 ( -0.059 -1.586 0.145) 1.594 7.410 ( -0.722 -0.290 3.017) 3.115 7.434 ( 0.887 -2.205 2.670) 3.575 7.664 ( -4.453 1.844 6.377) 7.993 7.683 ( -3.609 -0.404 8.686) 9.414 7.985 ( -0.549 2.679 -1.087) 2.943 8.055 ( 0.830 -4.580 -0.185) 4.658 8.156 ( -0.863 3.856 4.196) 5.764 8.233 ( -1.298 -3.856 5.720) 7.019 9.285 ( 0.536 2.002 0.605) 2.159 9.320 ( 1.376 -1.784 -0.034) 2.253 9.577 ( 0.859 2.003 0.322) 2.203 9.610 ( 1.798 -1.508 -0.010) 2.347 9.808 ( 0.329 1.256 -7.759) 7.867 9.836 ( 0.679 -1.757 -6.965) 7.215 9.968 ( 0.330 1.076 -3.895) 4.054 9.987 ( -0.305 -0.830 -3.594) 3.701 10.226 ( 0.367 2.265 -2.144) 3.140 10.257 ( 0.780 -0.884 -0.913) 1.491 10.486 ( -0.704 3.500 6.766) 7.650 10.565 ( -2.511 -4.255 1.184) 5.080 10.782 ( 0.643 0.878 3.252) 3.430 10.790 ( 1.199 -0.330 4.976) 5.129 10.941 ( -0.898 0.966 5.432) 5.590 10.988 ( -0.944 -3.912 -0.012) 4.025 11.593 ( -1.420 -0.638 0.628) 1.678 11.600 ( -1.869 -1.296 1.455) 2.700 12.238 ( 0.805 0.412 -5.313) 5.389 12.249 ( 0.605 -0.752 -4.804) 4.900 12.358 ( 0.264 2.420 0.413) 2.469 12.401 ( 1.025 -1.938 0.635) 2.283 12.505 ( -3.669 1.097 -4.169) 5.661 12.533 ( -2.439 -1.759 -4.323) 5.266 12.687 ( 3.220 2.671 -0.624) 4.230 12.715 ( 1.749 -0.088 -3.385) 3.811 12.828 ( 0.626 -0.231 -1.354) 1.510 12.845 ( 3.838 -2.306 0.245) 4.484 13.064 ( 0.138 1.398 1.490) 2.048 13.098 ( -0.356 -2.172 2.370) 3.234 13.170 ( -0.116 1.335 0.221) 1.358 13.194 ( -0.257 -1.259 0.181) 1.297 13.402 ( -2.391 2.515 0.191) 3.476 13.436 ( -2.605 -0.848 0.311) 2.757 13.472 ( -3.338 1.098 2.231) 4.162 13.512 ( -3.034 -2.730 1.132) 4.235 13.854 ( 2.857 1.883 0.879) 3.532 13.858 ( 2.393 0.729 1.297) 2.817 13.903 ( 2.169 0.761 2.139) 3.140 13.947 ( 2.644 -3.123 1.151) 4.251 17.053 ( -0.384 1.178 0.356) 1.289 17.085 ( -0.295 -2.066 0.702) 2.202 17.181 ( 1.940 1.710 0.446) 2.625 17.205 ( 1.097 -0.818 0.742) 1.556 17.325 ( -0.398 0.320 -0.188) 0.544 17.329 ( 0.024 0.438 -0.287) 0.524 17.365 ( -0.240 1.920 -0.339) 1.964 17.407 ( 2.090 -2.100 1.376) 3.267 17.448 ( 1.703 1.115 1.294) 2.412 17.474 ( 0.897 -1.480 0.529) 1.809 17.705 ( 1.395 1.634 0.130) 2.152 17.736 ( 1.329 -1.568 -0.338) 2.083 17.822 ( 0.412 0.611 -0.786) 1.078 17.831 ( 0.265 -0.396 -0.900) 1.019 17.936 ( 1.707 0.898 -0.718) 2.058 17.955 ( 1.745 -1.101 -0.297) 2.084 18.349 ( -1.695 0.888 1.843) 2.657 18.367 ( -1.468 -0.976 1.801) 2.521 18.482 ( 1.981 0.480 0.630) 2.134 18.484 ( 1.160 0.063 0.915) 1.478 18.624 ( -3.696 1.670 3.943) 5.656 18.651 ( -4.551 -1.317 4.726) 6.692 18.839 ( 3.058 1.075 -4.036) 5.176 18.854 ( 2.427 -0.550 -3.445) 4.250 20.195 ( 0.052 2.139 -1.152) 2.430 20.241 ( -1.311 -2.713 -1.769) 3.494 20.698 ( 1.871 2.474 -6.524) 7.224 20.744 ( 1.875 -2.347 -4.871) 5.722 21.670 ( -0.743 3.432 -0.132) 3.514 21.740 ( -0.087 -3.968 -1.095) 4.117 21.997 ( 0.899 2.366 -6.448) 6.927 22.023 ( -2.611 -0.325 -7.146) 7.615 22.156 ( 2.504 1.352 2.392) 3.717 22.205 ( 3.735 -3.242 3.406) 6.005 22.468 ( -3.164 4.947 4.920) 7.661 22.576 ( -4.858 -6.343 6.187) 10.105 25.337 ( -2.110 1.154 2.399) 3.397 25.359 ( 0.156 -1.079 -0.144) 1.099 25.478 ( -3.319 1.060 -1.315) 3.724 25.512 ( -1.737 -2.525 -3.573) 4.708 29.156 ( 2.791 0.911 0.213) 2.944 29.175 ( 2.995 -1.049 0.141) 3.177 29.258 ( 0.944 1.286 0.096) 1.598 29.276 ( 1.018 -0.592 -0.012) 1.177 29.498 ( -2.040 0.769 -0.083) 2.182 29.510 ( -1.862 -0.424 -0.255) 1.927 29.594 ( -1.503 1.360 -0.226) 2.039 29.619 ( -1.329 -1.259 0.143) 1.836 31.031 ( 1.319 2.126 -2.494) 3.532 31.067 ( 0.666 -1.377 -2.081) 2.583 31.210 ( 1.136 4.871 -2.420) 5.556 31.330 ( 0.206 -7.833 -2.555) 8.242 31.807 ( -0.989 1.907 0.019) 2.148 31.843 ( 0.047 -1.924 1.390) 2.374 31.994 ( 2.368 3.024 4.253) 5.731 32.044 ( -0.169 -2.170 4.888) 5.351 32.356 ( -2.986 3.689 -6.332) 7.913 32.388 ( -2.266 1.915 -8.544) 9.044 32.529 ( -3.041 5.143 -0.081) 5.975 32.626 ( -2.160 -4.050 -1.290) 4.768 32.898 ( 1.142 -0.599 2.256) 2.599 32.920 ( 1.349 -2.935 2.199) 3.908 33.171 ( -3.916 4.274 2.624) 6.363 33.242 ( -2.572 -3.291 4.574) 6.194 33.400 ( 2.560 5.602 0.664) 6.195 33.463 ( 0.844 -1.023 3.649) 3.883 34.286 ( 5.294 -1.883 -5.216) 7.667 34.330 ( 5.316 -5.742 -4.693) 9.124 34.929 ( -5.659 4.760 -6.602) 9.913 34.988 ( -4.737 -1.206 -7.528) 8.975 35.531 ( 6.565 2.523 16.724) 18.143 35.603 ( 5.519 -4.339 12.993) 14.769 106.325 ( -0.568 0.807 0.269) 1.023 106.340 ( -0.450 -0.624 -0.009) 0.770 106.377 ( -0.392 0.761 0.396) 0.943 106.392 ( -0.340 -0.759 0.259) 0.871 108.415 ( 0.534 0.129 -0.341) 0.647 108.417 ( 0.527 -0.075 0.032) 0.533 108.462 ( 0.265 1.061 0.211) 1.114 108.480 ( 0.174 -0.908 0.535) 1.069 ======================= Grid point 112 (65/84) ======================= q-point: ( 0.44 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 2.784 3.104 -9.934) 10.774 1.960 ( -0.597 -4.557 -9.960) 10.969 2.292 ( 7.563 5.821 -7.679) 12.249 2.354 ( 2.714 -3.531 -5.093) 6.765 2.361 ( -2.884 11.864 -6.359) 13.766 2.507 ( -0.015 -0.329 -8.427) 8.433 2.612 ( 5.754 0.772 -12.270) 13.574 2.653 ( 2.515 4.214 -1.499) 5.132 2.687 ( 0.108 -4.611 -11.962) 12.821 2.823 ( -3.023 -8.567 -5.344) 10.540 2.925 ( 2.965 3.566 1.535) 4.885 2.994 ( 1.790 -2.808 -0.159) 3.334 3.071 ( -3.397 -0.956 1.387) 3.791 3.153 ( 3.516 -6.767 0.070) 7.626 3.267 ( -5.046 0.731 -4.710) 6.941 3.285 ( -8.563 -0.397 -3.133) 9.127 3.435 ( 6.078 3.765 3.814) 8.104 3.542 ( 1.908 -3.683 -4.272) 5.955 3.674 ( 3.796 12.513 -6.861) 14.766 3.783 ( -0.452 3.562 -1.460) 3.876 3.860 ( 3.161 -3.829 2.325) 5.482 3.873 ( -3.711 -0.552 -2.776) 4.667 4.069 ( -2.753 1.522 2.705) 4.149 4.107 ( -6.504 1.395 1.296) 6.777 4.189 ( -1.634 0.600 5.231) 5.513 4.226 ( -1.555 -2.543 -1.787) 3.475 4.268 ( 3.545 -3.989 -2.804) 6.028 4.288 ( -3.586 -3.092 0.984) 4.836 4.465 ( -3.387 10.719 -4.427) 12.081 4.657 ( -5.803 -7.314 -5.191) 10.683 4.727 ( 0.189 2.371 -3.404) 4.153 4.771 ( 0.175 -1.506 -0.158) 1.524 4.858 ( 6.532 3.322 2.109) 7.626 4.952 ( 5.227 -7.125 2.024) 9.066 5.036 ( 1.085 2.819 1.142) 3.230 5.082 ( -3.903 -1.440 -0.833) 4.243 5.114 ( 1.787 -1.902 -0.911) 2.764 5.165 ( -0.066 -3.987 0.430) 4.010 5.365 ( 4.109 0.189 6.270) 7.499 5.397 ( -0.959 -3.109 4.268) 5.367 5.478 ( -1.962 2.936 3.487) 4.963 5.516 ( 4.055 1.650 3.438) 5.566 5.534 ( -0.156 1.345 1.271) 1.857 5.623 ( -6.174 -4.228 0.738) 7.519 5.663 ( -0.784 11.060 0.825) 11.118 5.794 ( -1.427 0.501 6.818) 6.984 5.824 ( 1.043 -0.976 1.408) 2.006 5.871 ( 1.301 -4.267 0.013) 4.461 5.968 ( -2.500 -0.628 5.320) 5.912 6.036 ( 1.747 -4.270 3.690) 5.908 6.164 ( 1.285 3.411 3.291) 4.911 6.249 ( 0.599 -5.486 3.730) 6.661 6.314 ( 3.649 5.982 4.693) 8.433 6.370 ( 2.018 3.295 5.643) 6.839 6.436 ( 0.665 -0.846 0.774) 1.325 6.522 ( -2.282 -6.367 -1.710) 6.976 6.612 ( -2.338 2.635 -0.135) 3.525 6.638 ( 1.943 0.705 -0.373) 2.100 6.752 ( -2.141 0.594 -2.442) 3.302 6.775 ( -4.223 -0.549 0.179) 4.262 6.970 ( -0.479 4.809 -1.154) 4.968 7.033 ( -1.679 1.988 -2.690) 3.742 7.058 ( 3.555 0.334 -0.716) 3.642 7.105 ( 0.425 -2.191 0.438) 2.274 7.486 ( 4.490 1.721 4.407) 6.523 7.528 ( 4.777 -2.430 4.161) 6.786 7.673 ( -4.755 3.186 4.948) 7.566 7.732 ( -4.483 -3.026 6.589) 8.525 7.972 ( 0.204 4.456 0.056) 4.461 8.059 ( 0.443 -3.404 -0.638) 3.491 8.225 ( 0.147 0.720 7.341) 7.378 8.293 ( -2.333 -5.110 7.382) 9.277 9.298 ( -0.101 2.037 1.103) 2.319 9.334 ( 0.469 -1.770 0.130) 1.836 9.574 ( -0.779 1.704 -1.740) 2.556 9.605 ( -0.069 -1.615 -3.947) 4.265 9.745 ( 2.138 1.662 -3.507) 4.431 9.781 ( 2.669 -2.022 -4.079) 5.277 9.923 ( 0.592 1.027 -4.407) 4.564 9.932 ( -0.692 0.003 -4.544) 4.597 10.198 ( 1.201 2.488 -3.760) 4.666 10.240 ( 1.824 -1.911 -4.387) 5.121 10.506 ( -2.006 1.525 0.135) 2.524 10.532 ( -2.483 -0.927 0.557) 2.708 10.865 ( 0.515 0.799 7.180) 7.242 10.889 ( -0.491 -1.678 8.056) 8.244 10.997 ( -0.537 -0.193 4.830) 4.864 11.005 ( 2.257 -1.148 1.863) 3.144 11.591 ( -1.915 -0.470 2.728) 3.366 11.603 ( -0.547 -1.651 2.425) 2.984 12.173 ( -0.123 0.062 -5.449) 5.451 12.180 ( -0.561 -0.689 -5.484) 5.556 12.338 ( -2.243 3.211 -1.441) 4.174 12.394 ( 0.573 0.103 -3.523) 3.571 12.405 ( -3.149 -0.730 -3.157) 4.519 12.451 ( 0.579 -2.773 -5.762) 6.421 12.689 ( -0.005 1.271 -1.164) 1.724 12.704 ( 1.624 -0.226 -2.389) 2.898 12.855 ( 2.660 2.923 1.577) 4.255 12.908 ( 3.140 -2.287 0.671) 3.942 13.079 ( -0.467 0.964 1.276) 1.666 13.110 ( -1.408 -2.056 1.213) 2.771 13.149 ( -1.107 0.657 -1.694) 2.128 13.163 ( -1.644 -0.895 -2.210) 2.896 13.390 ( -0.125 1.890 0.469) 1.952 13.414 ( -1.105 -0.531 0.239) 1.249 13.468 ( -1.577 0.760 2.613) 3.145 13.496 ( -1.179 -2.100 1.310) 2.741 13.905 ( 1.352 1.312 1.850) 2.640 13.906 ( 1.466 1.362 1.795) 2.689 13.961 ( 1.136 0.171 2.865) 3.087 13.997 ( 1.597 -2.937 1.603) 3.707 17.062 ( 0.491 1.433 0.863) 1.743 17.090 ( -0.276 -1.417 0.665) 1.589 17.212 ( 1.143 1.222 0.962) 1.931 17.226 ( 0.253 -0.270 1.091) 1.152 17.292 ( -1.564 0.064 -0.851) 1.781 17.298 ( -1.518 -0.546 -1.503) 2.205 17.392 ( 1.380 2.976 1.007) 3.432 17.443 ( 0.396 -2.154 0.046) 2.191 17.527 ( 4.188 1.400 4.580) 6.362 17.557 ( 4.070 -1.802 4.878) 6.604 17.727 ( 1.146 1.280 0.553) 1.805 17.752 ( 1.248 -1.358 0.115) 1.848 17.810 ( -0.202 0.386 -1.409) 1.475 17.817 ( -0.316 -0.336 -1.172) 1.260 17.936 ( 0.758 1.166 -1.986) 2.425 17.953 ( 0.259 -0.720 -2.136) 2.269 18.353 ( -2.009 0.850 3.006) 3.714 18.374 ( -1.788 -1.342 2.803) 3.585 18.511 ( 0.421 0.787 1.418) 1.675 18.517 ( 1.082 0.226 1.054) 1.527 18.622 ( -3.080 1.688 3.332) 4.841 18.650 ( -4.028 -1.327 4.563) 6.229 18.822 ( 2.486 1.429 -4.607) 5.426 18.842 ( 2.571 -0.699 -3.775) 4.620 20.204 ( 1.146 1.787 0.806) 2.271 20.244 ( 2.297 -2.546 1.428) 3.714 20.605 ( -0.341 3.414 -9.201) 9.820 20.672 ( -0.068 -3.665 -8.015) 8.813 21.648 ( -1.598 3.069 -0.562) 3.505 21.712 ( -0.884 -3.775 -2.007) 4.366 21.909 ( -0.262 0.980 -6.093) 6.177 21.920 ( -0.359 -0.297 -5.390) 5.410 22.259 ( 4.754 3.164 3.758) 6.836 22.295 ( 0.972 0.225 3.666) 3.799 22.509 ( 0.726 -0.020 4.936) 4.989 22.575 ( -5.021 -6.131 4.711) 9.220 25.324 ( -4.162 0.955 2.074) 4.747 25.345 ( -4.167 -1.268 1.400) 4.575 25.438 ( 2.475 1.220 -3.017) 4.089 25.464 ( 2.156 -1.557 -3.724) 4.576 29.193 ( 1.845 1.147 0.225) 2.184 29.207 ( 1.159 -0.126 -0.040) 1.167 29.272 ( 0.865 0.246 0.296) 0.947 29.284 ( -0.067 -0.723 0.139) 0.740 29.475 ( -1.159 0.974 0.199) 1.527 29.490 ( -0.532 -0.526 -0.049) 0.750 29.572 ( -0.875 1.447 -0.346) 1.726 29.599 ( -1.131 -1.323 -0.438) 1.795 31.029 ( 2.168 1.690 -1.785) 3.278 31.049 ( -0.140 0.133 -1.697) 1.708 31.180 ( 1.120 2.032 -3.582) 4.268 31.252 ( -3.038 -5.190 -4.918) 7.769 31.796 ( -0.998 2.060 1.803) 2.914 31.835 ( -0.602 -2.297 0.413) 2.410 32.130 ( 1.649 1.364 3.471) 4.078 32.136 ( -0.896 0.506 7.360) 7.432 32.225 ( -1.900 2.285 -5.294) 6.071 32.252 ( -0.641 0.022 -6.743) 6.774 32.485 ( -1.295 4.169 -1.326) 4.562 32.561 ( -1.115 -2.814 -3.574) 4.684 32.939 ( 0.249 -0.410 2.335) 2.384 32.969 ( 2.109 -3.634 1.878) 4.602 33.124 ( -3.569 5.046 -0.687) 6.219 33.225 ( -4.569 -5.449 0.025) 7.111 33.469 ( 2.369 5.196 4.157) 7.063 33.516 ( -0.051 0.280 3.636) 3.647 34.311 ( 8.504 1.631 -4.932) 9.965 34.392 ( 9.617 -6.103 -3.933) 12.050 34.746 ( -7.504 4.071 -5.523) 10.168 34.800 ( -8.482 -1.654 -5.833) 10.426 35.825 ( 3.491 0.290 15.779) 16.163 35.855 ( 3.969 -2.577 13.719) 14.512 106.325 ( -0.143 0.666 0.410) 0.795 106.336 ( -0.039 -0.492 0.027) 0.494 106.377 ( -0.284 0.604 0.368) 0.763 106.389 ( -0.366 -0.620 0.078) 0.724 108.419 ( 0.371 0.456 -0.059) 0.591 108.425 ( 0.426 -0.092 -0.005) 0.435 108.469 ( 0.244 0.743 0.435) 0.895 108.486 ( -0.137 -0.970 0.309) 1.027 ======================= Grid point 113 (66/84) ======================= q-point: (-0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -6.280 5.162 -11.700) 14.247 1.802 ( 0.816 0.103 -7.709) 7.753 2.072 ( -18.954 7.233 -2.064) 20.392 2.216 ( -13.431 -6.447 0.821) 14.921 2.421 ( 0.235 3.113 -5.348) 6.192 2.479 ( 9.790 4.063 -5.124) 11.773 2.512 ( -0.230 -4.429 -11.886) 12.686 2.539 ( 6.537 -0.972 -6.899) 9.553 2.678 ( 0.939 -4.065 -0.121) 4.174 2.746 ( 2.137 -7.224 -4.520) 8.786 2.985 ( 0.961 5.507 2.470) 6.112 3.003 ( 1.046 5.478 -2.561) 6.136 3.058 ( 1.831 -2.570 -0.506) 3.196 3.135 ( 2.055 -0.059 -4.159) 4.640 3.247 ( 2.560 1.905 3.291) 4.584 3.268 ( 6.026 -4.965 0.190) 7.810 3.474 ( -1.405 7.802 -7.384) 10.834 3.507 ( 3.186 2.816 -7.032) 8.217 3.654 ( 3.359 3.395 3.969) 6.210 3.717 ( -6.356 -1.252 -2.345) 6.890 3.838 ( -5.251 -2.907 -0.621) 6.034 3.888 ( -2.105 -3.154 3.189) 4.955 3.993 ( -9.026 4.673 2.011) 10.361 4.074 ( -9.242 -2.213 4.815) 10.653 4.153 ( -1.475 2.032 -0.275) 2.526 4.195 ( -2.792 -5.641 -0.804) 6.345 4.268 ( 0.752 3.194 5.351) 6.277 4.369 ( 4.543 -5.916 2.038) 7.733 4.423 ( 2.531 5.846 -2.316) 6.778 4.547 ( 1.032 -5.379 -5.480) 7.748 4.727 ( 3.058 4.965 0.175) 5.833 4.805 ( 1.888 -1.787 2.609) 3.683 4.932 ( 0.497 3.410 -0.556) 3.490 4.963 ( -5.422 -1.233 -1.387) 5.731 5.010 ( -5.260 -1.228 -0.492) 5.423 5.041 ( -1.593 -4.083 0.384) 4.399 5.110 ( 0.898 -2.772 -0.939) 3.062 5.142 ( 0.044 -4.793 -0.321) 4.804 5.423 ( -0.634 3.855 2.588) 4.686 5.464 ( -1.226 -0.159 3.153) 3.386 5.490 ( 5.863 5.601 0.263) 8.112 5.575 ( -1.633 5.030 -0.030) 5.288 5.579 ( 4.382 0.226 0.990) 4.498 5.627 ( 3.342 -2.627 2.240) 4.805 5.723 ( 4.130 -0.629 2.956) 5.118 5.793 ( -0.328 -4.567 -5.877) 7.450 5.849 ( 1.431 0.563 2.044) 2.558 5.894 ( 1.523 -1.504 -0.722) 2.259 6.067 ( 2.048 2.459 7.916) 8.539 6.147 ( 3.471 -4.390 4.919) 7.452 6.219 ( -1.890 3.488 3.685) 5.414 6.266 ( 0.269 -0.381 -0.290) 0.549 6.378 ( -1.742 3.636 0.852) 4.121 6.442 ( 1.283 -2.882 3.803) 4.942 6.466 ( -1.035 -0.639 0.004) 1.216 6.497 ( 0.674 -2.346 0.779) 2.562 6.589 ( 0.061 2.708 1.213) 2.968 6.636 ( -2.050 2.255 1.684) 3.482 6.675 ( -0.978 -3.175 -3.515) 4.837 6.714 ( -0.265 -2.848 -1.005) 3.032 6.956 ( -2.037 4.215 -0.745) 4.740 6.992 ( -0.128 1.635 0.123) 1.645 7.116 ( 2.819 1.139 0.858) 3.160 7.127 ( 3.549 0.345 -0.592) 3.615 7.594 ( 0.780 0.748 1.440) 1.800 7.604 ( 0.291 -0.258 0.859) 0.943 7.694 ( 0.542 0.463 5.105) 5.154 7.726 ( -2.702 -2.584 2.419) 4.453 7.992 ( 0.317 4.508 2.025) 4.952 8.049 ( -0.033 -0.961 -1.194) 1.534 8.334 ( -0.231 -3.133 8.189) 8.771 8.353 ( -1.266 -4.562 6.237) 7.831 9.313 ( -0.762 1.736 2.199) 2.903 9.340 ( -0.272 -1.098 0.804) 1.388 9.511 ( -1.726 0.683 -4.202) 4.594 9.529 ( -0.531 -1.241 -5.606) 5.766 9.751 ( 0.841 2.257 -0.149) 2.413 9.788 ( -0.422 -1.593 -0.383) 1.692 9.848 ( -0.145 2.597 -5.487) 6.073 9.875 ( 1.677 -0.424 -5.193) 5.474 10.167 ( 0.576 1.881 -2.909) 3.512 10.205 ( 1.732 -2.205 -4.602) 5.389 10.495 ( 0.345 0.484 0.727) 0.939 10.505 ( -1.018 -0.452 -0.272) 1.146 10.935 ( -2.451 1.159 5.911) 6.503 10.974 ( -1.200 -2.519 6.820) 7.369 11.064 ( 3.030 0.920 1.522) 3.513 11.080 ( 6.040 -1.031 0.195) 6.131 11.605 ( -2.751 1.327 4.077) 5.094 11.650 ( 0.744 -3.480 4.131) 5.452 12.101 ( -0.684 0.177 -3.848) 3.912 12.110 ( -0.007 -0.736 -4.300) 4.363 12.275 ( -3.484 3.000 -1.113) 4.730 12.335 ( -3.516 -3.306 -0.940) 4.916 12.355 ( 1.950 2.956 -3.904) 5.271 12.406 ( 1.752 -2.353 -3.680) 4.706 12.677 ( -0.526 1.137 -0.469) 1.338 12.696 ( 0.563 -0.885 -1.150) 1.557 12.913 ( 2.356 2.477 0.617) 3.473 12.929 ( 0.243 0.770 -1.037) 1.315 13.086 ( -1.753 -0.024 0.642) 1.867 13.101 ( -0.809 -1.241 0.241) 1.501 13.112 ( 0.303 0.020 -0.469) 0.559 13.126 ( 0.037 -1.322 -0.935) 1.620 13.404 ( 0.948 0.501 0.460) 1.167 13.411 ( 0.592 -0.170 0.004) 0.616 13.493 ( 0.868 0.825 1.948) 2.287 13.515 ( 1.725 -1.490 0.816) 2.421 13.930 ( -0.648 1.230 1.148) 1.803 13.934 ( -0.484 1.378 1.030) 1.787 13.998 ( -0.588 -0.457 2.044) 2.176 14.022 ( -0.420 -2.386 0.566) 2.488 17.081 ( -0.059 1.209 0.897) 1.506 17.092 ( 0.048 0.157 0.304) 0.346 17.222 ( -2.020 0.590 1.316) 2.482 17.238 ( -1.088 -0.795 0.881) 1.610 17.268 ( 0.051 0.114 -0.452) 0.469 17.281 ( 1.022 -1.195 -0.229) 1.589 17.420 ( 0.996 1.769 0.482) 2.087 17.436 ( 0.080 0.141 -1.034) 1.046 17.636 ( 2.595 -0.174 3.199) 4.123 17.651 ( 1.669 -1.654 2.143) 3.180 17.752 ( 0.502 1.112 1.000) 1.578 17.768 ( -0.606 -0.576 -0.767) 1.135 17.781 ( -0.672 0.023 -0.618) 0.913 17.789 ( -1.333 -0.638 -1.374) 2.018 17.911 ( 0.222 1.309 -2.324) 2.676 17.920 ( 0.460 0.333 -2.703) 2.762 18.372 ( -1.941 0.396 4.274) 4.711 18.388 ( -1.968 -1.186 3.342) 4.056 18.523 ( -0.868 0.900 0.880) 1.528 18.533 ( -0.102 -0.032 0.273) 0.293 18.627 ( -2.273 2.087 3.252) 4.482 18.655 ( -3.520 -1.046 4.478) 5.791 18.798 ( 2.810 2.065 -4.513) 5.704 18.831 ( 2.830 -1.424 -3.725) 4.889 20.248 ( 1.270 3.398 2.979) 4.694 20.317 ( 2.863 -3.820 2.325) 5.310 20.476 ( -1.000 3.006 -7.473) 8.117 20.546 ( -1.483 -4.466 -9.269) 10.395 21.620 ( -2.146 2.633 0.611) 3.451 21.672 ( -1.188 -2.888 -1.558) 3.490 21.856 ( 0.792 0.519 -2.948) 3.096 21.864 ( 0.530 -0.389 -3.525) 3.586 22.304 ( -3.928 3.715 1.669) 5.658 22.347 ( 0.913 0.564 1.961) 2.235 22.574 ( -0.963 -2.327 2.651) 3.656 22.617 ( 5.845 -5.476 3.547) 8.759 25.276 ( -6.123 0.666 2.163) 6.528 25.290 ( -5.755 -0.849 1.939) 6.132 25.460 ( 5.259 1.226 -2.729) 6.050 25.483 ( 6.382 -1.246 -3.062) 7.188 29.203 ( -1.226 0.710 0.002) 1.417 29.206 ( -0.612 0.422 -0.036) 0.744 29.280 ( -0.552 -0.059 0.151) 0.575 29.286 ( 0.269 -0.660 0.136) 0.726 29.475 ( 0.582 1.280 0.424) 1.469 29.492 ( 0.923 -0.300 -0.256) 1.003 29.567 ( 0.292 0.555 0.308) 0.699 29.581 ( -0.265 -0.707 -0.555) 0.937 31.011 ( -1.725 2.257 -1.280) 3.116 31.042 ( 1.573 -0.627 -1.565) 2.306 31.161 ( -1.152 -0.695 -2.651) 2.973 31.176 ( 3.038 -1.947 -1.737) 4.005 31.824 ( -1.346 0.957 3.787) 4.131 31.847 ( -0.838 -1.473 2.250) 2.817 32.041 ( -3.054 2.596 -5.121) 6.503 32.069 ( -3.622 -0.213 -5.189) 6.332 32.230 ( -4.609 1.645 3.221) 5.858 32.260 ( -1.919 -1.309 3.234) 3.982 32.489 ( 4.404 5.208 -0.845) 6.873 32.544 ( 4.339 0.059 -3.026) 5.290 32.962 ( -1.292 0.880 2.102) 2.620 33.005 ( -0.690 -2.745 -0.069) 2.831 33.124 ( 3.216 -2.375 1.577) 4.298 33.147 ( -0.490 -4.157 -1.174) 4.347 33.545 ( -0.544 3.655 2.995) 4.756 33.565 ( 2.557 1.462 3.369) 4.475 34.350 ( 1.827 0.928 -5.775) 6.128 34.366 ( -2.260 -0.486 -9.573) 9.848 34.655 ( -2.539 2.250 0.594) 3.444 34.698 ( 5.210 -2.300 1.019) 5.785 35.990 ( -2.985 1.094 9.061) 9.602 36.040 ( 1.305 -4.235 8.227) 9.345 106.331 ( 0.304 0.517 0.329) 0.683 106.338 ( 0.380 -0.234 -0.120) 0.462 106.381 ( 0.155 0.212 0.456) 0.526 106.386 ( -0.023 -0.307 -0.016) 0.309 108.422 ( -0.055 0.739 0.024) 0.742 108.427 ( 0.143 0.216 -0.240) 0.353 108.480 ( 0.264 -0.191 0.553) 0.642 108.484 ( -0.330 -0.668 -0.011) 0.745 ======================= Grid point 114 (67/84) ======================= q-point: (-0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -12.583 13.207 -1.274) 18.286 1.744 ( -3.341 -7.137 0.611) 7.904 1.786 ( -21.815 11.284 3.774) 24.849 2.039 ( -14.986 -11.132 3.899) 19.071 2.319 ( -2.292 3.806 -1.282) 4.624 2.421 ( 1.029 -6.230 -2.550) 6.810 2.531 ( 1.628 3.842 -2.256) 4.744 2.611 ( 6.444 -0.361 0.953) 6.525 2.664 ( -0.275 -1.031 -2.306) 2.541 2.756 ( 2.459 -7.103 -0.039) 7.516 2.972 ( 1.710 3.345 -5.976) 7.059 3.012 ( 3.700 -2.311 -1.263) 4.541 3.097 ( -6.985 10.979 1.392) 13.087 3.158 ( 9.428 9.424 1.972) 13.476 3.271 ( -3.154 -4.380 -3.002) 6.176 3.364 ( 4.127 -0.490 3.084) 5.175 3.380 ( -3.377 6.609 0.253) 7.426 3.506 ( 7.498 1.753 -4.250) 8.796 3.602 ( 1.225 -3.522 -5.393) 6.557 3.695 ( -5.085 -7.178 1.366) 8.902 3.788 ( -8.093 -5.998 0.832) 10.108 3.802 ( -3.438 -6.373 0.461) 7.256 3.927 ( -5.798 7.593 5.908) 11.233 4.086 ( -2.608 -5.483 7.010) 9.274 4.166 ( -0.743 1.127 4.833) 5.018 4.192 ( 2.739 2.905 3.149) 5.085 4.306 ( -2.493 7.550 1.336) 8.062 4.419 ( 2.439 -1.602 -1.264) 3.180 4.454 ( 2.172 -1.723 -1.549) 3.176 4.518 ( 3.838 -5.093 -3.691) 7.368 4.740 ( -1.727 8.435 -2.125) 8.868 4.832 ( -2.654 3.975 0.772) 4.842 4.888 ( -6.385 -3.811 0.138) 7.437 4.899 ( 4.875 -3.924 -1.808) 6.514 4.949 ( -3.143 1.842 0.795) 3.728 5.035 ( -1.187 -4.584 3.873) 6.117 5.093 ( -0.955 -0.078 -0.987) 1.376 5.176 ( 2.023 -7.962 0.491) 8.230 5.438 ( -2.530 1.391 1.370) 3.196 5.451 ( -7.325 -0.218 0.968) 7.392 5.538 ( 2.972 7.447 -5.157) 9.533 5.575 ( 6.920 5.825 -0.339) 9.052 5.624 ( 2.380 -1.746 -3.532) 4.603 5.684 ( 3.824 -3.861 -0.482) 5.456 5.779 ( 5.286 1.501 -1.640) 5.735 5.814 ( 2.082 -1.877 2.367) 3.669 5.878 ( 1.208 1.538 0.134) 1.961 5.899 ( 3.290 -1.828 0.505) 3.797 6.085 ( -2.804 1.216 -1.630) 3.463 6.189 ( -0.688 -6.648 -1.538) 6.858 6.246 ( 1.295 1.064 -0.364) 1.715 6.288 ( 0.173 -2.022 1.053) 2.286 6.355 ( -2.603 7.840 0.540) 8.279 6.463 ( 1.648 2.563 -0.305) 3.063 6.467 ( 0.559 0.413 1.785) 1.915 6.525 ( 0.713 -5.590 -1.475) 5.826 6.561 ( -3.502 -1.419 1.231) 3.974 6.612 ( -2.294 -4.643 -0.514) 5.204 6.714 ( 4.815 3.513 1.064) 6.054 6.763 ( 3.052 -1.496 0.958) 3.531 6.924 ( -1.458 5.061 1.226) 5.408 7.000 ( -0.463 -2.070 0.835) 2.279 7.151 ( 4.255 4.030 -2.219) 6.267 7.185 ( 6.044 1.082 -1.705) 6.373 7.547 ( -1.716 0.545 -2.219) 2.857 7.570 ( -3.381 -2.456 -2.505) 4.872 7.750 ( 1.728 1.421 1.984) 2.990 7.786 ( 2.275 -2.310 3.445) 4.730 8.023 ( 0.402 2.080 1.657) 2.689 8.028 ( 0.245 1.117 -2.219) 2.496 8.371 ( -1.249 -0.428 0.765) 1.526 8.431 ( -0.004 -5.917 3.722) 6.990 9.318 ( -1.673 1.270 0.554) 2.172 9.337 ( -0.884 -0.677 -0.843) 1.396 9.459 ( -1.340 1.384 0.968) 2.156 9.484 ( -0.433 -1.303 0.954) 1.672 9.720 ( -3.023 0.745 -3.063) 4.368 9.724 ( -2.081 0.283 -3.127) 3.767 9.829 ( 0.703 3.303 0.951) 3.509 9.867 ( 0.859 -1.118 0.505) 1.498 10.147 ( 0.151 1.030 -0.658) 1.232 10.177 ( 1.363 -2.165 -2.917) 3.879 10.506 ( 1.283 1.469 0.348) 1.981 10.535 ( 2.522 -1.508 1.486) 3.293 10.972 ( -0.828 3.274 4.000) 5.235 11.021 ( -0.831 -0.987 1.944) 2.333 11.093 ( 2.462 0.933 -4.144) 4.910 11.138 ( 4.859 -4.711 -3.779) 7.751 11.613 ( -1.413 4.000 2.140) 4.751 11.704 ( 1.612 -5.972 0.898) 6.250 12.074 ( 0.344 0.671 -0.003) 0.754 12.091 ( 1.176 -1.098 0.056) 1.610 12.231 ( -3.043 3.194 2.115) 4.893 12.291 ( -2.507 -2.717 1.295) 3.917 12.360 ( 1.776 2.457 0.453) 3.066 12.407 ( 1.418 -2.220 0.152) 2.639 12.659 ( -0.768 1.401 -0.733) 1.757 12.686 ( -0.037 -1.369 -1.133) 1.777 12.895 ( -1.046 2.421 -2.184) 3.424 12.926 ( 0.036 -0.518 -1.629) 1.709 13.066 ( -1.329 1.549 0.776) 2.184 13.097 ( -0.469 -1.326 1.226) 1.866 13.132 ( 1.416 0.657 0.881) 1.792 13.154 ( 2.270 -1.663 0.930) 2.964 13.424 ( 2.328 0.700 -0.311) 2.451 13.439 ( 2.808 -0.872 0.322) 2.958 13.539 ( 3.195 0.779 0.484) 3.324 13.557 ( 3.467 -1.068 -0.148) 3.631 13.913 ( -2.446 1.051 -0.472) 2.704 13.915 ( -2.786 0.973 -0.398) 2.977 13.993 ( -2.308 -1.039 0.325) 2.552 13.997 ( -2.593 -1.321 -1.036) 3.089 17.074 ( -0.589 2.170 -0.256) 2.263 17.106 ( 0.625 -0.905 0.330) 1.148 17.202 ( -2.172 0.383 0.298) 2.225 17.222 ( -1.799 -1.511 0.736) 2.461 17.283 ( 1.027 0.785 0.656) 1.450 17.301 ( 1.408 -1.153 0.240) 1.836 17.411 ( -0.357 2.477 -1.448) 2.891 17.441 ( 0.637 -0.574 -0.031) 0.858 17.622 ( -3.610 0.392 -6.025) 7.035 17.647 ( -1.967 -2.278 -4.189) 5.158 17.716 ( -2.195 0.511 -0.200) 2.263 17.727 ( -2.570 -0.597 -0.068) 2.640 17.775 ( -0.274 0.715 0.934) 1.208 17.787 ( -0.588 -0.538 0.924) 1.220 17.903 ( 0.817 1.427 -0.317) 1.674 17.916 ( 1.137 0.192 -0.242) 1.178 18.401 ( -1.851 -0.129 3.255) 3.747 18.407 ( -1.602 -0.825 4.156) 4.530 18.510 ( -0.882 0.680 -0.863) 1.409 18.521 ( -1.068 -0.517 -0.624) 1.341 18.632 ( -3.175 2.120 3.111) 4.924 18.661 ( -3.722 -0.941 4.165) 5.664 18.792 ( 3.735 2.204 -3.500) 5.573 18.827 ( 3.129 -1.605 -3.332) 4.845 20.258 ( -2.384 1.824 -2.339) 3.805 20.304 ( -1.661 -2.599 -5.581) 6.377 20.437 ( 0.234 1.337 -0.201) 1.372 20.484 ( 2.130 -3.014 3.916) 5.381 21.612 ( -2.197 2.007 2.973) 4.206 21.647 ( -1.003 -1.722 0.161) 1.999 21.845 ( 1.043 0.161 -1.142) 1.555 21.850 ( 1.171 -0.402 -0.098) 1.242 22.246 ( -4.901 3.074 -0.470) 5.804 22.320 ( -5.264 -4.161 -0.553) 6.733 22.621 ( 4.392 4.126 -0.250) 6.031 22.735 ( 6.717 -7.173 0.423) 9.836 25.223 ( -5.718 1.075 3.100) 6.592 25.248 ( -4.860 -1.618 3.591) 6.256 25.508 ( 5.788 2.111 -2.095) 6.508 25.545 ( 7.165 -1.846 -2.538) 7.822 29.173 ( -2.298 0.678 -0.364) 2.423 29.185 ( -2.150 -0.550 -0.110) 2.222 29.270 ( -0.902 0.690 -0.146) 1.145 29.283 ( -0.774 -0.586 -0.061) 0.973 29.497 ( 1.570 0.980 0.235) 1.866 29.505 ( 1.573 0.237 -0.469) 1.659 29.576 ( 0.606 0.596 0.254) 0.887 29.593 ( 1.314 -1.091 0.959) 1.959 30.979 ( -1.152 2.176 -0.251) 2.475 31.024 ( -1.174 -2.625 -0.908) 3.016 31.162 ( 3.401 2.766 -0.388) 4.400 31.221 ( 3.798 -3.642 0.625) 5.299 31.800 ( -3.750 1.297 -0.672) 4.025 31.833 ( -3.695 -2.334 -0.425) 4.391 32.015 ( -1.056 2.378 5.298) 5.903 32.037 ( 0.060 0.554 4.200) 4.237 32.159 ( -7.587 1.988 0.892) 7.893 32.222 ( -4.360 -4.187 -1.416) 6.208 32.555 ( 3.440 3.399 0.019) 4.836 32.567 ( 4.484 2.820 -2.270) 5.763 32.951 ( -2.205 0.115 0.295) 2.228 32.967 ( -2.863 -1.347 -0.223) 3.172 33.164 ( 6.373 5.685 1.837) 8.736 33.293 ( 8.916 -6.770 2.846) 11.551 33.552 ( 0.350 7.000 -0.591) 7.033 33.661 ( 8.310 -4.906 -0.106) 9.650 34.155 ( -7.995 3.328 -6.191) 10.645 34.239 ( -6.498 -5.224 -4.345) 9.402 34.727 ( 6.323 6.906 3.174) 9.887 34.827 ( 7.945 -3.920 1.328) 8.958 35.976 ( -7.508 2.900 0.237) 8.052 36.072 ( -4.119 -7.546 -1.324) 8.698 106.340 ( 0.597 0.324 -0.032) 0.680 106.343 ( 0.657 -0.015 -0.263) 0.708 106.389 ( 0.420 0.181 -0.007) 0.458 106.393 ( 0.669 -0.276 0.435) 0.845 108.417 ( -0.376 0.848 -0.248) 0.961 108.425 ( -0.123 0.061 -0.252) 0.288 108.477 ( -0.344 0.186 -0.320) 0.506 108.489 ( 0.194 -0.906 0.292) 0.972 ======================= Grid point 115 (68/84) ======================= q-point: (-0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -13.655 16.145 13.739) 25.217 1.591 ( -16.401 12.521 8.782) 22.426 1.735 ( -7.658 -7.683 10.717) 15.249 1.940 ( -8.863 -13.841 7.797) 18.191 2.336 ( -4.298 7.570 7.024) 11.186 2.447 ( -8.783 11.409 0.324) 14.402 2.463 ( -0.292 -5.779 6.477) 8.685 2.626 ( 0.798 -0.929 -3.742) 3.938 2.685 ( 1.902 -1.937 0.228) 2.724 2.795 ( 0.529 -8.816 2.576) 9.200 2.917 ( 2.478 6.326 -6.361) 9.307 3.037 ( -3.073 8.990 3.335) 10.069 3.064 ( 3.272 -5.984 -0.445) 6.835 3.185 ( -1.938 -1.931 0.376) 2.762 3.272 ( 0.122 0.726 -0.939) 1.193 3.350 ( 1.749 6.897 0.956) 7.179 3.487 ( 1.192 -8.095 -0.642) 8.207 3.517 ( 0.411 4.378 4.120) 6.026 3.560 ( -1.077 -8.914 1.765) 9.150 3.672 ( 1.533 -9.976 1.174) 10.161 3.750 ( 2.631 1.930 0.160) 3.267 3.809 ( 0.648 -1.914 3.167) 3.757 3.951 ( -3.141 9.045 6.940) 11.825 4.129 ( -2.875 -5.478 5.738) 8.438 4.228 ( -2.038 5.872 0.125) 6.217 4.265 ( 2.277 2.339 2.824) 4.316 4.329 ( 3.380 -0.675 3.577) 4.967 4.404 ( -2.586 -4.803 -1.948) 5.793 4.444 ( 1.115 5.719 4.030) 7.084 4.593 ( 6.412 -8.160 1.640) 10.507 4.689 ( -1.429 8.713 -1.029) 8.889 4.796 ( -2.111 -1.621 -2.041) 3.354 4.830 ( -0.848 4.554 -1.138) 4.770 4.904 ( -0.788 0.387 0.508) 1.014 4.941 ( -2.996 -0.115 0.438) 3.030 5.030 ( -3.302 -2.797 -0.802) 4.401 5.100 ( 3.689 0.237 -0.344) 3.713 5.198 ( 2.684 -7.257 -1.474) 7.876 5.347 ( -4.718 2.673 1.860) 5.733 5.406 ( -4.280 -3.429 3.030) 6.266 5.501 ( 0.147 1.073 -6.675) 6.762 5.546 ( -2.057 -2.226 -7.076) 7.698 5.640 ( 1.399 6.137 -0.662) 6.329 5.737 ( 2.176 -2.937 -2.147) 4.239 5.835 ( 3.873 2.204 1.125) 4.596 5.856 ( 5.244 1.200 0.798) 5.438 5.950 ( 3.824 0.790 0.964) 4.022 5.980 ( 5.951 -1.960 0.463) 6.282 6.022 ( -0.754 5.303 -3.516) 6.407 6.136 ( -2.169 -3.101 -2.440) 4.503 6.227 ( -2.717 -3.222 -5.242) 6.726 6.241 ( -0.069 -1.958 -2.542) 3.209 6.349 ( 0.201 8.365 0.051) 8.367 6.437 ( -2.132 -0.303 -4.674) 5.147 6.483 ( 0.699 -4.259 -5.607) 7.075 6.493 ( 3.204 0.626 -1.907) 3.781 6.522 ( -5.047 -5.196 0.687) 7.276 6.577 ( -0.580 -4.980 -1.079) 5.129 6.778 ( 3.305 2.839 1.847) 4.732 6.803 ( 0.674 0.027 3.030) 3.104 6.922 ( -2.459 2.989 0.569) 3.912 6.977 ( -3.592 -2.722 -0.720) 4.564 7.180 ( 7.216 8.309 -5.271) 12.202 7.243 ( 6.812 1.557 -5.496) 8.890 7.511 ( 0.931 -0.101 -2.946) 3.092 7.531 ( 3.112 -1.426 -1.704) 3.824 7.783 ( 0.594 2.585 0.305) 2.670 7.846 ( 1.775 -4.021 0.896) 4.486 8.000 ( 0.852 3.497 -2.822) 4.573 8.048 ( 1.070 -0.985 0.594) 1.571 8.321 ( -1.649 2.916 -5.154) 6.147 8.412 ( -2.375 -5.618 -4.228) 7.421 9.293 ( -1.628 0.468 -0.099) 1.697 9.302 ( -1.174 -0.395 -1.395) 1.866 9.493 ( -1.680 2.162 6.180) 6.759 9.531 ( -0.960 -1.720 5.104) 5.471 9.662 ( -0.930 0.643 -0.260) 1.160 9.673 ( -0.308 -0.593 0.346) 0.753 9.866 ( -0.422 2.465 3.840) 4.583 9.898 ( -0.447 -1.012 3.932) 4.084 10.164 ( 0.747 -0.255 2.688) 2.801 10.179 ( 2.285 -1.674 -0.218) 2.841 10.540 ( 1.961 2.449 0.885) 3.260 10.586 ( 2.477 -2.382 0.245) 3.445 10.954 ( -2.856 2.181 -7.858) 8.640 11.003 ( -1.726 -2.717 -7.011) 7.714 11.028 ( 2.041 6.196 -0.822) 6.575 11.158 ( 3.296 -7.448 -1.033) 8.210 11.622 ( 1.612 4.656 -1.704) 5.214 11.715 ( 2.714 -5.592 -3.969) 7.375 12.096 ( -0.193 0.704 2.844) 2.936 12.117 ( 0.029 -1.443 2.277) 2.696 12.251 ( -1.893 3.136 5.504) 6.612 12.301 ( -1.504 -1.840 3.982) 4.637 12.408 ( 0.445 1.200 3.960) 4.162 12.442 ( 0.023 -1.965 3.501) 4.014 12.647 ( 0.416 1.194 -0.401) 1.326 12.671 ( 0.582 -1.275 -1.489) 2.045 12.849 ( -0.816 2.531 -2.810) 3.869 12.890 ( -0.528 -1.646 -2.890) 3.367 13.065 ( -1.130 2.269 1.178) 2.795 13.110 ( -0.668 -2.394 1.676) 2.998 13.165 ( 1.326 1.219 0.589) 1.895 13.187 ( 1.252 -1.129 0.207) 1.698 13.466 ( 4.234 1.637 -0.605) 4.579 13.492 ( 4.253 -1.198 -0.167) 4.422 13.587 ( 4.180 0.568 -1.408) 4.447 13.604 ( 4.058 -1.100 -0.918) 4.303 13.852 ( -4.271 0.425 -1.410) 4.517 13.853 ( -3.768 0.335 -1.749) 4.168 13.931 ( -3.586 0.258 -2.040) 4.133 13.947 ( -3.169 -1.381 -1.184) 3.654 17.073 ( 1.114 2.103 -0.067) 2.381 17.116 ( 1.130 -2.339 -0.419) 2.632 17.171 ( -1.897 1.549 -0.671) 2.540 17.203 ( -1.680 -1.687 -0.273) 2.396 17.305 ( 0.665 0.851 0.871) 1.387 17.322 ( 0.663 -0.899 0.603) 1.270 17.387 ( -0.672 3.044 -1.770) 3.585 17.432 ( -1.712 -1.591 -2.417) 3.362 17.474 ( -3.719 1.300 -3.229) 5.094 17.507 ( -5.190 -2.319 -5.535) 7.934 17.691 ( -1.571 0.805 -0.166) 1.773 17.707 ( -1.482 -0.863 0.451) 1.773 17.787 ( -0.089 0.331 1.236) 1.283 17.791 ( -0.744 -0.109 1.198) 1.415 17.908 ( -0.218 1.137 -0.075) 1.160 17.923 ( -0.446 -0.416 0.124) 0.623 18.406 ( -2.222 0.891 1.989) 3.113 18.432 ( -1.947 -2.006 2.640) 3.845 18.483 ( 0.417 0.495 -2.362) 2.449 18.493 ( -0.167 -0.448 -2.151) 2.203 18.620 ( -4.583 1.665 3.950) 6.275 18.656 ( -4.695 -2.121 4.337) 6.735 18.810 ( 4.019 1.776 -2.626) 5.119 18.836 ( 3.439 -1.071 -2.453) 4.358 20.188 ( -2.233 0.229 -2.764) 3.561 20.210 ( -1.346 -2.065 -0.281) 2.481 20.495 ( 0.527 4.497 5.205) 6.899 20.570 ( 0.471 -3.558 5.223) 6.337 21.630 ( -2.551 1.136 4.511) 5.305 21.646 ( -0.857 -0.644 1.527) 1.866 21.867 ( 1.499 1.117 1.800) 2.595 21.891 ( 1.772 -1.309 3.473) 4.113 22.171 ( -3.586 0.989 -1.381) 3.968 22.217 ( -6.108 -4.013 -1.777) 7.521 22.662 ( 4.517 7.120 -3.604) 9.170 22.803 ( 5.270 -7.686 -3.227) 9.861 25.202 ( -4.299 1.999 4.616) 6.617 25.253 ( -3.107 -3.708 5.864) 7.602 25.561 ( 5.067 2.723 -1.711) 6.001 25.611 ( 6.321 -2.511 -2.288) 7.176 29.135 ( -2.152 0.427 -0.583) 2.270 29.148 ( -2.372 -1.082 -0.497) 2.654 29.252 ( -1.005 1.108 -0.448) 1.562 29.265 ( -1.191 -0.312 -0.343) 1.278 29.519 ( 1.469 0.815 -0.034) 1.680 29.525 ( 1.567 0.036 0.121) 1.572 29.597 ( 1.081 1.162 0.890) 1.820 29.624 ( 1.073 -1.603 0.961) 2.155 30.973 ( -0.094 1.448 0.694) 1.608 31.003 ( -1.169 -1.788 0.499) 2.194 31.216 ( 4.174 3.025 -0.428) 5.173 31.284 ( 2.595 -4.563 1.486) 5.455 31.753 ( -3.229 1.294 0.875) 3.587 31.783 ( -3.146 -2.020 1.348) 3.974 32.021 ( -6.549 2.339 2.346) 7.340 32.054 ( -7.854 -1.035 -0.172) 7.924 32.132 ( 0.924 2.733 7.655) 8.181 32.195 ( 0.206 -3.921 4.641) 6.079 32.571 ( 1.475 4.965 -0.730) 5.230 32.625 ( 2.511 -1.075 1.667) 3.199 32.924 ( -2.211 -0.053 0.198) 2.221 32.932 ( -1.107 -1.019 -0.372) 1.550 33.285 ( 3.708 6.452 1.769) 7.649 33.365 ( -0.648 -1.799 -1.217) 2.267 33.575 ( 11.266 12.002 -9.543) 19.027 33.755 ( 10.148 -8.408 -7.967) 15.400 34.086 ( 2.944 0.386 2.750) 4.047 34.147 ( -2.194 -6.500 3.144) 7.546 34.857 ( 5.143 5.706 3.672) 8.514 34.922 ( 3.211 -1.469 0.984) 3.666 35.796 ( -10.406 1.878 -7.675) 13.066 35.876 ( -11.460 -6.923 -11.207) 17.460 106.346 ( 0.733 0.362 -0.416) 0.917 106.351 ( 0.791 -0.128 -0.163) 0.818 106.394 ( 0.488 0.562 -0.250) 0.785 106.405 ( 0.530 -0.551 -0.126) 0.775 108.409 ( -0.199 0.643 -0.289) 0.733 108.417 ( -0.322 -0.270 -0.373) 0.562 108.468 ( -0.265 1.253 -0.485) 1.370 108.491 ( -0.005 -1.179 -0.230) 1.201 ======================= Grid point 116 (69/84) ======================= q-point: (-0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -10.633 16.731 13.028) 23.721 1.563 ( -7.540 11.719 11.977) 18.375 1.804 ( -6.635 -3.584 14.351) 16.212 1.998 ( -4.778 -13.199 15.208) 20.696 2.281 ( -11.404 16.871 10.181) 22.767 2.421 ( -0.303 -0.149 -2.940) 2.960 2.525 ( -2.401 -2.866 4.228) 5.644 2.620 ( 1.196 -2.158 3.912) 4.625 2.725 ( 6.510 -5.111 -1.467) 8.405 2.790 ( -1.291 -9.788 -2.150) 10.104 2.883 ( -0.612 3.472 -1.157) 3.711 3.024 ( -3.386 -6.938 1.827) 7.934 3.127 ( 1.053 7.489 4.489) 8.795 3.233 ( 2.974 1.189 4.407) 5.448 3.266 ( 3.098 -1.187 0.815) 3.416 3.356 ( -2.331 -10.053 0.891) 10.358 3.496 ( 6.449 4.567 3.881) 8.804 3.631 ( -1.617 5.048 8.920) 10.376 3.660 ( 3.879 -8.578 3.908) 10.193 3.690 ( -1.148 1.740 3.535) 4.104 3.835 ( 4.339 0.933 3.620) 5.727 3.910 ( 2.904 -3.211 6.920) 8.163 4.001 ( -2.107 5.115 5.354) 7.698 4.120 ( -4.894 -3.730 2.015) 6.475 4.201 ( 0.437 5.406 -0.405) 5.438 4.259 ( -2.493 -1.553 -4.907) 5.719 4.366 ( 0.407 0.811 -2.161) 2.344 4.392 ( 0.844 -2.339 1.301) 2.806 4.564 ( -2.614 0.584 11.282) 11.595 4.627 ( -2.781 -4.823 -0.481) 5.588 4.698 ( 5.246 6.786 -0.403) 8.587 4.780 ( 0.309 0.760 0.806) 1.150 4.837 ( 5.292 3.036 0.075) 6.102 4.907 ( -1.803 1.253 2.494) 3.323 4.956 ( 0.478 -1.168 4.855) 5.016 4.983 ( 2.581 -0.633 -3.236) 4.187 5.143 ( 3.020 0.137 0.488) 3.062 5.204 ( 1.340 -0.572 -2.359) 2.773 5.309 ( -3.677 1.172 -5.549) 6.759 5.358 ( -8.717 -1.506 -3.299) 9.441 5.437 ( 1.221 -2.180 -3.117) 3.995 5.445 ( 1.329 0.589 1.997) 2.470 5.641 ( 2.322 -1.007 -1.605) 2.997 5.676 ( -3.759 -2.739 -3.274) 5.688 5.891 ( -3.278 5.122 -2.472) 6.565 5.920 ( 0.526 3.666 -7.129) 8.033 5.938 ( 4.194 2.236 -0.016) 4.752 5.952 ( 1.474 2.072 -5.291) 5.871 6.009 ( 0.775 5.843 -7.506) 9.543 6.089 ( -6.130 -1.050 -3.518) 7.146 6.133 ( -1.013 -5.963 1.233) 6.173 6.176 ( -1.085 -5.627 -3.010) 6.473 6.315 ( -1.793 -0.175 0.584) 1.894 6.373 ( -0.104 -2.662 -4.412) 5.154 6.408 ( -0.046 -0.823 -3.792) 3.880 6.464 ( 0.363 -4.454 -3.376) 5.600 6.557 ( 8.247 -0.833 -0.757) 8.324 6.583 ( 4.406 -4.172 -1.674) 6.294 6.850 ( -1.065 1.413 3.377) 3.812 6.857 ( -1.151 0.094 4.597) 4.740 6.881 ( -1.413 2.453 -0.895) 2.969 6.909 ( -1.907 -0.430 -0.931) 2.165 7.196 ( 6.671 7.427 -8.346) 13.012 7.219 ( 3.251 4.124 -8.124) 9.674 7.502 ( 2.260 1.599 -3.088) 4.148 7.553 ( 1.874 -2.946 -2.351) 4.209 7.773 ( 0.135 3.034 -2.306) 3.814 7.837 ( 0.343 -2.660 -4.716) 5.426 7.988 ( 0.500 3.579 -1.002) 3.750 8.066 ( 0.973 -3.468 -0.880) 3.708 8.221 ( -2.317 3.711 -4.441) 6.234 8.290 ( -4.542 -2.792 -4.749) 7.139 9.271 ( -1.637 0.290 0.007) 1.663 9.277 ( -0.400 -0.335 -0.655) 0.837 9.528 ( -2.102 1.353 2.709) 3.686 9.548 ( -0.863 -0.804 1.705) 2.074 9.711 ( 1.818 2.005 5.725) 6.332 9.745 ( 1.424 -1.606 6.791) 7.122 9.913 ( -0.358 2.569 4.664) 5.337 9.956 ( 2.171 -1.934 3.201) 4.324 10.219 ( 1.972 -0.408 2.824) 3.469 10.254 ( 3.317 -4.021 4.295) 6.754 10.570 ( -0.074 -0.098 0.365) 0.385 10.582 ( 0.435 -0.940 -5.191) 5.293 10.805 ( -3.099 0.029 -5.690) 6.479 10.820 ( -5.711 -1.783 -8.555) 10.440 11.075 ( 5.591 5.164 -3.266) 8.282 11.174 ( 3.931 -5.047 -5.899) 8.702 11.602 ( -0.535 3.783 -2.053) 4.337 11.675 ( -0.333 -4.157 -4.358) 6.032 12.137 ( -0.665 0.862 4.339) 4.474 12.159 ( 0.308 -1.323 3.972) 4.198 12.292 ( -2.316 2.480 4.981) 6.027 12.326 ( -1.768 -0.932 3.134) 3.717 12.456 ( -2.309 0.877 5.412) 5.949 12.488 ( -1.958 -1.921 5.269) 5.940 12.667 ( 2.039 0.072 0.745) 2.172 12.672 ( 2.503 -0.374 -1.325) 2.857 12.805 ( 0.057 2.626 -2.676) 3.749 12.848 ( 0.292 -1.711 -3.133) 3.582 13.054 ( -1.379 2.815 -0.081) 3.136 13.112 ( -0.909 -3.160 0.258) 3.299 13.173 ( -0.332 0.923 -0.574) 1.137 13.191 ( -0.390 -0.998 -0.519) 1.191 13.517 ( 4.047 2.036 -0.972) 4.633 13.540 ( 3.233 -0.484 -0.947) 3.404 13.614 ( 2.966 0.476 -2.550) 3.940 13.637 ( 2.301 -1.767 -1.949) 3.495 13.774 ( -3.426 0.572 -1.214) 3.679 13.785 ( -2.231 -0.536 -0.897) 2.463 13.859 ( -2.406 1.326 -2.002) 3.399 13.886 ( -2.601 -1.516 -1.568) 3.394 17.098 ( 1.893 1.191 -0.579) 2.311 17.128 ( 1.141 -1.636 -1.266) 2.362 17.134 ( -1.095 0.675 -0.754) 1.492 17.162 ( -2.698 -1.864 -1.248) 3.509 17.318 ( -1.276 0.912 0.890) 1.803 17.332 ( -1.217 -0.672 1.291) 1.897 17.356 ( 2.143 1.491 -0.240) 2.622 17.380 ( 1.311 -1.177 -1.113) 2.084 17.440 ( 1.616 1.315 0.847) 2.249 17.463 ( 0.207 -1.097 0.183) 1.132 17.664 ( -1.804 1.334 -0.638) 2.333 17.689 ( -1.795 -1.222 0.002) 2.171 17.795 ( -0.617 0.392 1.049) 1.278 17.802 ( -0.029 -0.180 1.058) 1.074 17.893 ( -1.120 0.671 -0.562) 1.421 17.905 ( -1.470 -0.596 -0.559) 1.682 18.391 ( -2.416 0.770 1.100) 2.764 18.408 ( -3.298 -1.131 0.437) 3.514 18.463 ( 1.672 0.832 -3.405) 3.883 18.476 ( 1.831 -0.541 -2.571) 3.203 18.612 ( -4.860 1.137 5.095) 7.132 18.649 ( -4.987 -2.929 5.456) 7.951 18.825 ( 3.370 1.991 -3.129) 5.011 18.854 ( 3.175 -1.133 -2.317) 4.091 20.203 ( 3.820 1.292 3.533) 5.361 20.242 ( 1.822 -2.856 3.791) 5.084 20.554 ( -1.315 4.135 4.723) 6.414 20.618 ( -1.983 -2.670 3.727) 4.995 21.645 ( -3.278 1.243 4.225) 5.490 21.659 ( -0.615 -0.274 2.101) 2.206 21.921 ( 1.058 2.201 3.184) 4.013 21.979 ( 0.605 -3.925 5.688) 6.937 22.119 ( -1.608 0.646 -0.220) 1.747 22.149 ( -0.527 -2.227 0.302) 2.308 22.649 ( 2.339 8.163 -5.908) 10.345 22.795 ( 2.305 -7.494 -6.396) 10.118 25.219 ( -2.889 3.086 5.697) 7.094 25.300 ( -1.700 -5.930 6.002) 8.607 25.601 ( 3.250 2.655 -1.325) 4.401 25.658 ( 4.432 -3.227 -2.227) 5.918 29.102 ( -1.346 0.080 -0.579) 1.468 29.111 ( -1.536 -0.948 -0.781) 1.967 29.233 ( -0.664 1.225 -0.457) 1.467 29.244 ( -0.876 0.030 -0.504) 1.011 29.539 ( 1.062 0.919 0.353) 1.449 29.548 ( 1.016 -0.169 0.497) 1.143 29.621 ( 0.574 1.014 0.840) 1.437 29.643 ( 0.252 -1.272 0.562) 1.414 30.993 ( 0.846 0.544 1.598) 1.889 31.005 ( -0.568 -0.759 1.734) 1.976 31.250 ( 2.599 2.593 -2.057) 4.208 31.309 ( -0.548 -4.076 -0.576) 4.152 31.706 ( -4.862 2.790 1.088) 5.710 31.769 ( -3.881 -4.080 2.158) 6.030 31.973 ( -1.072 2.691 1.516) 3.269 32.010 ( -0.820 -1.383 4.451) 4.733 32.239 ( -1.664 2.509 9.345) 9.818 32.276 ( -1.336 -1.027 7.456) 7.644 32.581 ( 0.735 5.772 -0.353) 5.830 32.659 ( 0.088 -3.404 0.284) 3.417 32.902 ( -1.120 1.274 0.170) 1.705 32.922 ( -0.544 -0.846 -0.176) 1.021 33.281 ( -2.626 4.597 -1.624) 5.538 33.340 ( 0.202 0.102 0.622) 0.662 33.535 ( 7.434 11.205 -14.328) 19.650 33.770 ( 8.576 -13.288 -10.824) 19.164 34.163 ( 1.309 1.717 -0.149) 2.164 34.239 ( 4.822 -5.859 -1.570) 7.748 34.950 ( 0.924 5.146 3.493) 6.288 34.981 ( 3.561 1.377 4.364) 5.798 35.528 ( -8.489 0.058 -10.184) 13.258 35.569 ( -9.252 -3.761 -9.082) 13.499 106.351 ( 0.696 0.560 -0.387) 0.973 106.359 ( 0.704 -0.259 -0.223) 0.783 106.393 ( 0.025 0.542 -0.591) 0.802 106.402 ( -0.230 -0.378 -0.521) 0.684 108.405 ( 0.139 0.399 -0.191) 0.464 108.410 ( 0.008 -0.134 -0.239) 0.274 108.458 ( -0.207 1.459 -0.422) 1.532 108.483 ( -0.258 -1.149 -0.700) 1.370 ======================= Grid point 135 (70/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.596 ( 2.271 0.000 -22.311) 22.427 1.596 ( -2.271 0.000 22.311) 22.427 1.778 ( -0.291 0.000 -25.141) 25.142 1.778 ( 0.291 0.000 25.141) 25.142 2.503 ( -2.376 0.000 -1.459) 2.789 2.503 ( 2.376 0.000 1.459) 2.789 2.815 ( -2.492 0.000 -8.631) 8.983 2.815 ( 2.492 0.000 8.631) 8.983 2.834 ( 12.789 0.000 -7.642) 14.898 2.834 ( -12.789 0.000 7.642) 14.898 3.064 ( -5.872 0.000 0.010) 5.872 3.064 ( 5.872 0.000 -0.010) 5.872 3.396 ( 8.209 0.000 -3.557) 8.946 3.396 ( -8.209 0.000 3.557) 8.946 3.647 ( 5.631 0.000 -7.251) 9.181 3.647 ( -5.631 0.000 7.251) 9.181 3.677 ( 1.519 0.000 -2.825) 3.208 3.677 ( -1.519 0.000 2.825) 3.208 3.807 ( -3.564 0.000 0.093) 3.566 3.807 ( 3.564 0.000 -0.093) 3.566 3.968 ( -0.922 0.000 -9.911) 9.954 3.968 ( 0.922 0.000 9.911) 9.954 4.041 ( -0.510 0.000 -2.605) 2.655 4.041 ( 0.510 0.000 2.605) 2.655 4.177 ( 4.192 0.000 -8.905) 9.842 4.177 ( -4.192 0.000 8.905) 9.842 4.313 ( 2.545 0.000 -4.953) 5.568 4.313 ( -2.545 0.000 4.953) 5.568 4.443 ( -12.400 0.000 -6.776) 14.131 4.443 ( 12.400 0.000 6.776) 14.131 4.761 ( 3.465 0.000 -2.194) 4.101 4.761 ( -3.465 0.000 2.194) 4.101 4.833 ( 0.188 0.000 -2.528) 2.535 4.833 ( -0.188 0.000 2.528) 2.535 4.946 ( -9.523 0.000 -0.250) 9.526 4.946 ( 9.523 0.000 0.250) 9.526 5.128 ( 0.724 0.000 -1.593) 1.750 5.128 ( -0.724 0.000 1.593) 1.750 5.239 ( -5.413 0.000 -7.969) 9.633 5.239 ( 5.413 0.000 7.969) 9.633 5.382 ( -3.941 0.000 -7.692) 8.643 5.382 ( 3.941 0.000 7.692) 8.643 5.498 ( -3.072 0.000 -2.687) 4.082 5.498 ( 3.072 0.000 2.687) 4.082 5.731 ( -0.392 0.000 -0.882) 0.966 5.731 ( 0.392 0.000 0.882) 0.966 5.932 ( 2.444 0.000 -1.321) 2.779 5.932 ( -2.444 0.000 1.321) 2.779 6.049 ( -1.659 0.000 -1.872) 2.501 6.049 ( 1.659 0.000 1.872) 2.501 6.144 ( -5.338 0.000 -4.426) 6.934 6.144 ( 5.338 0.000 4.426) 6.934 6.479 ( 3.224 0.000 -5.182) 6.103 6.479 ( -3.224 0.000 5.182) 6.103 6.543 ( -1.875 0.000 -5.575) 5.882 6.543 ( 1.875 0.000 5.575) 5.882 6.570 ( 1.057 0.000 -3.844) 3.987 6.570 ( -1.057 0.000 3.844) 3.987 6.749 ( -1.609 0.000 0.311) 1.639 6.749 ( 1.609 0.000 -0.311) 1.639 6.817 ( -4.670 0.000 -1.688) 4.965 6.817 ( 4.670 0.000 1.688) 4.965 7.026 ( 0.799 0.000 -1.302) 1.527 7.026 ( -0.799 0.000 1.302) 1.527 7.525 ( -1.804 0.000 -2.581) 3.148 7.525 ( 1.804 0.000 2.581) 3.148 7.657 ( 2.860 0.000 -3.054) 4.184 7.657 ( -2.860 0.000 3.054) 4.184 7.983 ( 4.243 0.000 -5.393) 6.863 7.983 ( -4.243 0.000 5.393) 6.863 8.147 ( -2.262 0.000 0.588) 2.337 8.147 ( 2.262 0.000 -0.588) 2.337 9.252 ( 2.269 0.000 -1.497) 2.718 9.252 ( -2.269 0.000 1.497) 2.718 9.538 ( 1.859 0.000 -2.321) 2.974 9.538 ( -1.859 0.000 2.321) 2.974 9.937 ( -2.598 0.000 -2.194) 3.401 9.937 ( 2.598 0.000 2.194) 3.401 9.977 ( 2.069 0.000 -6.179) 6.516 9.977 ( -2.069 0.000 6.179) 6.516 10.299 ( -0.528 0.000 -3.065) 3.110 10.299 ( 0.528 0.000 3.065) 3.110 10.482 ( -9.773 0.000 -7.214) 12.147 10.482 ( 9.773 0.000 7.214) 12.147 10.757 ( -1.031 0.000 -5.442) 5.539 10.757 ( 1.031 0.000 5.442) 5.539 11.074 ( -9.349 0.000 2.538) 9.687 11.074 ( 9.349 0.000 -2.538) 9.687 11.657 ( 1.058 0.000 -3.293) 3.459 11.657 ( -1.058 0.000 3.293) 3.459 12.256 ( 2.045 0.000 -2.185) 2.993 12.256 ( -2.045 0.000 2.185) 2.993 12.314 ( 0.751 0.000 -0.955) 1.215 12.314 ( -0.751 0.000 0.955) 1.215 12.550 ( 3.528 0.000 -2.021) 4.066 12.550 ( -3.528 0.000 2.021) 4.066 12.704 ( 3.438 0.000 -3.359) 4.807 12.704 ( -3.438 0.000 3.359) 4.807 12.811 ( -2.669 0.000 -0.168) 2.674 12.811 ( 2.669 0.000 0.168) 2.674 13.088 ( -1.114 0.000 -1.782) 2.102 13.088 ( 1.114 0.000 1.782) 2.102 13.163 ( -1.857 0.000 0.027) 1.857 13.163 ( 1.857 0.000 -0.027) 1.857 13.491 ( -2.596 0.000 -1.057) 2.803 13.491 ( 2.596 0.000 1.057) 2.803 13.612 ( -3.462 0.000 0.531) 3.502 13.612 ( 3.462 0.000 -0.531) 3.502 13.707 ( 3.025 0.000 -1.624) 3.433 13.707 ( -3.025 0.000 1.624) 3.433 13.860 ( -3.203 0.000 -0.096) 3.204 13.860 ( 3.203 0.000 0.096) 3.204 17.095 ( -0.047 0.000 -0.308) 0.312 17.095 ( 0.047 0.000 0.308) 0.312 17.197 ( 0.840 0.000 -1.705) 1.901 17.197 ( -0.840 0.000 1.705) 1.901 17.275 ( -1.673 0.000 0.151) 1.680 17.275 ( 1.673 0.000 -0.151) 1.680 17.423 ( -1.120 0.000 -1.619) 1.969 17.423 ( 1.120 0.000 1.619) 1.969 17.512 ( -4.376 0.000 -3.665) 5.708 17.512 ( 4.376 0.000 3.665) 5.708 17.644 ( -6.143 0.000 -1.951) 6.446 17.644 ( 6.143 0.000 1.951) 6.446 17.844 ( -0.503 0.000 -1.348) 1.439 17.844 ( 0.503 0.000 1.348) 1.439 17.853 ( -2.041 0.000 -1.267) 2.402 17.853 ( 2.041 0.000 1.267) 2.402 18.365 ( 2.619 0.000 -1.295) 2.922 18.365 ( -2.619 0.000 1.295) 2.922 18.411 ( 2.796 0.000 -1.990) 3.432 18.411 ( -2.796 0.000 1.990) 3.432 18.678 ( 5.791 0.000 -4.461) 7.311 18.678 ( -5.791 0.000 4.461) 7.311 18.820 ( 4.423 0.000 -3.313) 5.526 18.820 ( -4.423 0.000 3.313) 5.526 20.433 ( -12.359 0.000 2.356) 12.582 20.433 ( 12.359 0.000 -2.356) 12.582 20.583 ( -6.393 0.000 -2.382) 6.823 20.583 ( 6.393 0.000 2.382) 6.823 21.660 ( 4.612 0.000 -2.433) 5.215 21.660 ( -4.612 0.000 2.433) 5.215 22.038 ( -5.603 0.000 -3.109) 6.408 22.038 ( 5.603 0.000 3.109) 6.408 22.191 ( -1.309 0.000 -2.783) 3.075 22.191 ( 1.309 0.000 2.783) 3.075 22.608 ( -3.095 0.000 -11.536) 11.944 22.608 ( 3.095 0.000 11.536) 11.944 25.330 ( 2.532 0.000 -6.227) 6.722 25.330 ( -2.532 0.000 6.227) 6.722 25.734 ( 3.156 0.000 -1.729) 3.599 25.734 ( -3.156 0.000 1.729) 3.599 29.113 ( -1.416 0.000 0.182) 1.428 29.113 ( 1.416 0.000 -0.182) 1.428 29.179 ( -0.017 0.000 -0.829) 0.829 29.179 ( 0.017 0.000 0.829) 0.829 29.544 ( -0.397 0.000 -0.878) 0.963 29.544 ( 0.397 0.000 0.878) 0.963 29.640 ( -0.522 0.000 -1.393) 1.487 29.640 ( 0.522 0.000 1.393) 1.487 31.102 ( 2.718 0.000 -4.376) 5.152 31.102 ( -2.718 0.000 4.376) 5.152 31.147 ( -6.288 0.000 -5.173) 8.142 31.147 ( 6.288 0.000 5.173) 8.142 31.820 ( 4.236 0.000 -3.026) 5.205 31.820 ( -4.236 0.000 3.026) 5.205 32.101 ( 2.560 0.000 -5.027) 5.641 32.101 ( -2.560 0.000 5.027) 5.641 32.264 ( -4.782 0.000 -0.874) 4.861 32.264 ( 4.782 0.000 0.874) 4.861 32.538 ( -1.386 0.000 -11.176) 11.261 32.538 ( 1.386 0.000 11.176) 11.261 32.835 ( 1.701 0.000 -1.154) 2.056 32.835 ( -1.701 0.000 1.154) 2.056 33.074 ( -1.192 0.000 -1.416) 1.851 33.074 ( 1.192 0.000 1.416) 1.851 33.884 ( 2.178 0.000 -12.237) 12.429 33.884 ( -2.178 0.000 12.237) 12.429 34.076 ( -4.282 0.000 -6.358) 7.665 34.076 ( 4.282 0.000 6.358) 7.665 34.877 ( 1.718 0.000 -8.600) 8.770 34.877 ( -1.718 0.000 8.600) 8.770 35.501 ( -7.017 0.000 2.117) 7.329 35.501 ( 7.017 0.000 -2.117) 7.329 106.332 ( -0.545 0.000 0.107) 0.556 106.332 ( 0.545 0.000 -0.107) 0.556 106.398 ( -0.570 0.000 0.132) 0.585 106.398 ( 0.570 0.000 -0.132) 0.585 108.397 ( 0.494 0.000 -0.816) 0.954 108.397 ( -0.494 0.000 0.816) 0.954 108.459 ( -0.527 0.000 -1.087) 1.208 108.459 ( 0.527 0.000 1.087) 1.208 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 17.665 0.000 -21.741) 28.013 1.489 ( 6.621 0.000 -24.505) 25.384 1.878 ( 7.585 0.000 12.531) 14.648 2.094 ( 4.704 0.000 16.479) 17.137 2.463 ( -1.915 0.000 0.812) 2.080 2.517 ( 4.293 0.000 -8.221) 9.275 2.597 ( -6.243 0.000 -10.024) 11.809 2.646 ( -11.880 0.000 0.804) 11.907 2.912 ( 13.074 0.000 -15.950) 20.623 2.982 ( -1.839 0.000 1.197) 2.194 3.063 ( 4.459 0.000 9.588) 10.574 3.105 ( 5.598 0.000 -6.685) 8.719 3.266 ( -8.796 0.000 -4.278) 9.781 3.419 ( 3.832 0.000 -6.052) 7.163 3.501 ( -1.598 0.000 -7.886) 8.046 3.539 ( -4.455 0.000 -7.749) 8.938 3.620 ( -2.308 0.000 -8.613) 8.917 3.648 ( 4.349 0.000 -17.189) 17.731 3.663 ( -1.686 0.000 -4.202) 4.528 3.824 ( -2.256 0.000 5.387) 5.840 3.857 ( -3.448 0.000 -11.671) 12.169 4.038 ( -3.294 0.000 3.781) 5.015 4.063 ( -1.534 0.000 0.275) 1.558 4.089 ( -6.612 0.000 8.509) 10.776 4.118 ( 0.881 0.000 -1.677) 1.894 4.250 ( -2.529 0.000 9.757) 10.079 4.253 ( -8.801 0.000 3.497) 9.471 4.402 ( 10.413 0.000 -0.055) 10.413 4.422 ( 2.605 0.000 9.964) 10.299 4.621 ( 2.967 0.000 -1.328) 3.251 4.709 ( -0.683 0.000 -3.885) 3.945 4.745 ( -5.992 0.000 -3.962) 7.183 4.822 ( 6.813 0.000 0.953) 6.879 4.930 ( -6.979 0.000 -1.635) 7.168 4.963 ( 5.165 0.000 6.431) 8.248 4.998 ( 6.726 0.000 8.159) 10.574 5.023 ( -7.157 0.000 -0.168) 7.159 5.061 ( 4.354 0.000 -3.569) 5.629 5.265 ( 3.261 0.000 1.668) 3.662 5.286 ( -2.280 0.000 3.786) 4.420 5.394 ( 1.859 0.000 -8.518) 8.719 5.493 ( 8.916 0.000 6.790) 11.208 5.573 ( -1.065 0.000 13.782) 13.823 5.620 ( 5.487 0.000 5.127) 7.509 5.702 ( -2.179 0.000 2.662) 3.440 5.740 ( 2.048 0.000 0.280) 2.067 5.837 ( -12.130 0.000 -6.021) 13.542 5.905 ( -4.272 0.000 -1.422) 4.503 5.987 ( -0.445 0.000 1.412) 1.480 5.988 ( -6.173 0.000 7.592) 9.785 6.155 ( 1.292 0.000 1.086) 1.688 6.285 ( 4.898 0.000 4.305) 6.521 6.418 ( -7.221 0.000 -3.933) 8.223 6.472 ( -6.342 0.000 0.782) 6.390 6.490 ( 3.862 0.000 -5.318) 6.572 6.550 ( 3.494 0.000 -3.993) 5.306 6.595 ( -0.875 0.000 3.216) 3.333 6.640 ( 0.272 0.000 5.865) 5.871 6.719 ( -0.583 0.000 -1.188) 1.323 6.761 ( -1.820 0.000 3.771) 4.187 6.776 ( 1.260 0.000 1.463) 1.931 6.869 ( 0.673 0.000 0.469) 0.820 7.005 ( 0.197 0.000 -3.454) 3.459 7.014 ( 2.306 0.000 -3.152) 3.905 7.474 ( -2.223 0.000 -0.152) 2.228 7.584 ( 0.407 0.000 4.395) 4.414 7.645 ( -1.047 0.000 -1.728) 2.020 7.673 ( -1.778 0.000 5.575) 5.852 8.022 ( 4.479 0.000 -0.175) 4.482 8.023 ( -3.260 0.000 6.594) 7.356 8.142 ( 0.564 0.000 2.232) 2.302 8.181 ( 3.296 0.000 0.298) 3.309 9.249 ( -1.220 0.000 1.665) 2.065 9.276 ( 3.128 0.000 -0.792) 3.227 9.543 ( 2.877 0.000 -1.809) 3.398 9.544 ( -1.301 0.000 1.877) 2.284 9.844 ( -1.371 0.000 -8.390) 8.502 9.892 ( 0.605 0.000 -8.389) 8.411 9.965 ( 0.696 0.000 -1.545) 1.694 9.998 ( 0.488 0.000 -0.614) 0.785 10.278 ( -3.012 0.000 2.865) 4.157 10.289 ( -7.607 0.000 -2.678) 8.065 10.384 ( 0.349 0.000 9.041) 9.048 10.689 ( 5.667 0.000 6.024) 8.271 10.719 ( -0.073 0.000 -0.243) 0.254 10.902 ( -3.885 0.000 6.654) 7.705 10.925 ( -5.914 0.000 5.446) 8.040 11.108 ( 3.510 0.000 -5.472) 6.501 11.630 ( 1.408 0.000 -3.676) 3.937 11.689 ( -1.058 0.000 4.245) 4.375 12.247 ( -0.562 0.000 -2.304) 2.372 12.253 ( 1.992 0.000 -3.922) 4.399 12.312 ( 3.082 0.000 -3.425) 4.608 12.320 ( 1.913 0.000 0.344) 1.944 12.534 ( -1.028 0.000 0.763) 1.280 12.573 ( 1.648 0.000 0.099) 1.651 12.688 ( -3.882 0.000 -0.713) 3.948 12.712 ( 1.365 0.000 -1.505) 2.032 12.776 ( 1.483 0.000 -0.417) 1.541 12.811 ( 2.592 0.000 -5.394) 5.985 13.052 ( -0.401 0.000 -1.143) 1.211 13.115 ( 0.602 0.000 0.939) 1.115 13.168 ( -0.924 0.000 3.070) 3.206 13.205 ( 1.549 0.000 1.507) 2.161 13.432 ( -4.265 0.000 -0.090) 4.266 13.513 ( -1.923 0.000 1.206) 2.269 13.581 ( -3.498 0.000 2.282) 4.177 13.647 ( 0.359 0.000 0.553) 0.659 13.714 ( 0.194 0.000 2.763) 2.770 13.750 ( 3.878 0.000 0.542) 3.916 13.828 ( 0.009 0.000 -0.256) 0.256 13.910 ( 3.747 0.000 0.057) 3.747 17.095 ( -0.049 0.000 0.458) 0.461 17.098 ( -0.891 0.000 0.586) 1.067 17.197 ( 0.998 0.000 -0.173) 1.013 17.202 ( -2.268 0.000 1.662) 2.812 17.261 ( -0.976 0.000 0.291) 1.018 17.313 ( 2.900 0.000 0.983) 3.062 17.386 ( -0.167 0.000 -2.672) 2.677 17.416 ( -2.160 0.000 -2.142) 3.042 17.460 ( 1.653 0.000 1.039) 1.952 17.493 ( -7.517 0.000 -4.742) 8.888 17.602 ( 3.017 0.000 1.924) 3.578 17.709 ( 2.775 0.000 -0.513) 2.823 17.817 ( -1.120 0.000 -0.760) 1.354 17.832 ( 0.828 0.000 -1.441) 1.663 17.875 ( 1.580 0.000 0.594) 1.688 17.906 ( 2.865 0.000 1.159) 3.090 18.362 ( -1.641 0.000 2.905) 3.337 18.390 ( 2.362 0.000 -0.572) 2.430 18.412 ( -1.836 0.000 2.873) 3.410 18.448 ( 4.313 0.000 -0.035) 4.313 18.655 ( -5.740 0.000 4.586) 7.347 18.701 ( 5.588 0.000 -4.586) 7.229 18.800 ( -4.621 0.000 3.642) 5.884 18.835 ( 3.050 0.000 -2.683) 4.062 20.263 ( -10.492 0.000 -1.956) 10.673 20.459 ( -5.917 0.000 -3.086) 6.674 20.524 ( 8.578 0.000 -6.483) 10.752 20.686 ( 5.557 0.000 -0.020) 5.558 21.638 ( -2.415 0.000 1.596) 2.895 21.705 ( 7.114 0.000 -3.648) 7.995 21.935 ( -4.167 0.000 -2.140) 4.684 22.114 ( -2.229 0.000 -2.045) 3.025 22.182 ( 5.354 0.000 3.045) 6.160 22.239 ( -0.103 0.000 3.202) 3.203 22.407 ( -4.640 0.000 -9.276) 10.372 22.768 ( -0.648 0.000 10.447) 10.467 25.289 ( 3.194 0.000 -6.053) 6.845 25.371 ( -2.711 0.000 5.712) 6.323 25.688 ( -6.520 0.000 2.091) 6.847 25.718 ( -2.198 0.000 -2.418) 3.268 29.108 ( 0.169 0.000 0.284) 0.330 29.143 ( 2.105 0.000 0.502) 2.164 29.180 ( 2.076 0.000 -0.679) 2.184 29.197 ( 1.008 0.000 0.811) 1.293 29.523 ( -1.003 0.000 -0.779) 1.270 29.553 ( -0.694 0.000 0.625) 0.934 29.611 ( -1.029 0.000 -1.413) 1.748 29.660 ( 0.032 0.000 1.032) 1.032 31.028 ( -3.262 0.000 -2.884) 4.354 31.089 ( 3.234 0.000 -4.396) 5.457 31.115 ( -3.295 0.000 4.026) 5.202 31.359 ( 11.551 0.000 8.743) 14.487 31.779 ( -3.796 0.000 0.439) 3.821 31.794 ( 0.593 0.000 -6.784) 6.810 32.082 ( 3.737 0.000 -5.344) 6.521 32.135 ( -5.944 0.000 -3.565) 6.931 32.147 ( -0.117 0.000 2.492) 2.494 32.288 ( 1.853 0.000 -3.848) 4.271 32.425 ( 1.566 0.000 -6.835) 7.012 32.718 ( 1.879 0.000 11.044) 11.202 32.832 ( -1.599 0.000 1.809) 2.415 32.863 ( 3.600 0.000 0.031) 3.600 33.072 ( 3.184 0.000 -0.956) 3.324 33.133 ( 4.101 0.000 1.737) 4.454 33.549 ( -16.090 0.000 -9.939) 18.912 33.822 ( -17.195 0.000 11.630) 20.759 34.216 ( 15.274 0.000 0.027) 15.274 34.435 ( 15.603 0.000 11.952) 19.654 34.740 ( -0.881 0.000 -13.467) 13.496 34.913 ( -2.689 0.000 2.025) 3.366 35.449 ( -4.078 0.000 5.768) 7.064 35.564 ( 3.873 0.000 0.842) 3.964 106.326 ( -0.695 0.000 0.433) 0.819 106.337 ( 0.258 0.000 0.033) 0.260 106.390 ( -0.684 0.000 0.092) 0.690 106.404 ( 0.479 0.000 -0.059) 0.483 108.394 ( 0.710 0.000 -1.004) 1.230 108.402 ( -0.011 0.000 0.530) 0.531 108.441 ( -0.338 0.000 -0.826) 0.893 108.482 ( 0.547 0.000 1.178) 1.299 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 17.430 0.000 -17.622) 24.786 1.492 ( 22.983 0.000 -19.642) 30.233 2.058 ( 7.981 0.000 -2.548) 8.378 2.305 ( 20.810 0.000 -8.015) 22.301 2.397 ( -4.973 0.000 -6.680) 8.328 2.486 ( 1.841 0.000 -0.058) 1.842 2.490 ( -6.264 0.000 0.326) 6.273 2.560 ( 0.679 0.000 4.258) 4.312 2.780 ( 4.802 0.000 -17.884) 18.517 2.896 ( -2.394 0.000 -7.018) 7.415 3.084 ( 6.310 0.000 -11.918) 13.485 3.111 ( -7.879 0.000 0.555) 7.899 3.234 ( -7.438 0.000 9.111) 11.762 3.286 ( -4.524 0.000 -10.359) 11.304 3.397 ( 1.513 0.000 -5.078) 5.298 3.400 ( -4.542 0.000 -2.682) 5.275 3.484 ( 2.300 0.000 -11.365) 11.596 3.503 ( -4.994 0.000 -5.391) 7.349 3.654 ( 3.666 0.000 -0.138) 3.669 3.777 ( 5.026 0.000 -1.252) 5.180 3.781 ( -9.847 0.000 -0.412) 9.855 3.930 ( -0.413 0.000 -7.889) 7.900 4.031 ( -4.016 0.000 3.515) 5.337 4.079 ( -0.706 0.000 -5.900) 5.942 4.092 ( -5.356 0.000 3.877) 6.612 4.237 ( -3.572 0.000 5.019) 6.161 4.322 ( 1.321 0.000 2.643) 2.955 4.475 ( -5.329 0.000 -7.336) 9.067 4.518 ( 4.414 0.000 -2.936) 5.302 4.579 ( 0.262 0.000 -4.823) 4.830 4.682 ( 3.262 0.000 10.872) 11.351 4.691 ( 3.776 0.000 -1.546) 4.080 4.873 ( -3.325 0.000 1.672) 3.722 4.906 ( -6.235 0.000 3.532) 7.166 5.013 ( 5.745 0.000 7.023) 9.073 5.048 ( 2.890 0.000 -3.572) 4.595 5.138 ( 5.868 0.000 3.919) 7.057 5.172 ( 10.920 0.000 0.256) 10.923 5.268 ( -4.962 0.000 -1.010) 5.064 5.319 ( 2.522 0.000 -7.381) 7.800 5.419 ( 0.575 0.000 10.153) 10.169 5.551 ( -6.323 0.000 -0.337) 6.332 5.566 ( -1.806 0.000 0.220) 1.820 5.694 ( 5.049 0.000 4.652) 6.866 5.785 ( 2.287 0.000 0.914) 2.463 5.813 ( -3.895 0.000 1.577) 4.202 5.858 ( 0.021 0.000 11.182) 11.182 5.894 ( 10.209 0.000 4.831) 11.294 6.008 ( -8.510 0.000 10.059) 13.176 6.033 ( 1.379 0.000 4.308) 4.523 6.139 ( -2.422 0.000 -1.158) 2.685 6.235 ( -8.594 0.000 -2.786) 9.034 6.325 ( -9.221 0.000 0.509) 9.235 6.403 ( 1.090 0.000 3.329) 3.503 6.405 ( -9.141 0.000 0.132) 9.142 6.578 ( 5.619 0.000 -2.034) 5.976 6.605 ( -4.983 0.000 4.187) 6.508 6.731 ( 4.122 0.000 4.158) 5.855 6.747 ( 6.727 0.000 -0.445) 6.742 6.777 ( -1.501 0.000 -2.307) 2.752 6.847 ( 2.132 0.000 3.672) 4.246 6.870 ( -2.048 0.000 1.819) 2.739 6.983 ( 3.774 0.000 -2.548) 4.554 6.996 ( 0.420 0.000 -3.449) 3.475 7.479 ( 0.712 0.000 2.917) 3.003 7.573 ( -5.707 0.000 -1.433) 5.885 7.652 ( -0.164 0.000 5.232) 5.234 7.757 ( 1.138 0.000 7.752) 7.835 8.018 ( -4.789 0.000 1.237) 4.946 8.043 ( 0.903 0.000 -1.751) 1.970 8.258 ( 3.726 0.000 4.118) 5.554 8.262 ( 4.257 0.000 9.736) 10.626 9.256 ( -0.685 0.000 1.426) 1.582 9.313 ( 2.996 0.000 -0.655) 3.067 9.550 ( -0.830 0.000 1.394) 1.623 9.573 ( 4.203 0.000 -2.153) 4.722 9.702 ( -0.047 0.000 -9.492) 9.492 9.810 ( 0.392 0.000 -5.736) 5.749 9.920 ( -0.674 0.000 -5.488) 5.529 9.980 ( -0.122 0.000 -2.441) 2.444 10.196 ( -4.196 0.000 0.277) 4.205 10.267 ( -2.786 0.000 1.033) 2.972 10.518 ( 0.425 0.000 9.270) 9.280 10.635 ( -6.432 0.000 -9.453) 11.434 10.744 ( 1.337 0.000 3.384) 3.639 10.889 ( 0.030 0.000 9.457) 9.457 11.057 ( 0.322 0.000 -5.689) 5.698 11.110 ( -2.700 0.000 14.432) 14.683 11.606 ( 2.390 0.000 -3.716) 4.418 11.730 ( -2.888 0.000 5.862) 6.534 12.192 ( -0.331 0.000 -4.110) 4.123 12.214 ( 1.132 0.000 -4.718) 4.852 12.298 ( 4.209 0.000 -7.224) 8.360 12.346 ( -0.567 0.000 0.044) 0.569 12.535 ( 1.270 0.000 -1.377) 1.873 12.583 ( -4.899 0.000 -2.438) 5.472 12.613 ( 2.189 0.000 -0.045) 2.189 12.679 ( -1.925 0.000 -2.597) 3.233 12.793 ( 2.633 0.000 -2.570) 3.679 12.831 ( 3.900 0.000 1.124) 4.059 13.051 ( 1.218 0.000 -0.198) 1.234 13.130 ( 0.028 0.000 0.517) 0.518 13.193 ( -0.946 0.000 2.151) 2.349 13.223 ( 0.443 0.000 -1.260) 1.336 13.379 ( -3.970 0.000 1.345) 4.192 13.486 ( -3.638 0.000 1.661) 3.999 13.559 ( -4.327 0.000 2.571) 5.033 13.620 ( -3.634 0.000 -0.433) 3.660 13.774 ( 2.107 0.000 3.305) 3.920 13.815 ( 3.184 0.000 1.442) 3.495 13.876 ( 4.276 0.000 2.304) 4.858 13.969 ( 4.040 0.000 0.731) 4.106 17.066 ( -2.239 0.000 -1.650) 2.781 17.100 ( -0.085 0.000 0.220) 0.236 17.192 ( -1.058 0.000 1.754) 2.049 17.216 ( 0.507 0.000 1.018) 1.138 17.256 ( 0.038 0.000 0.307) 0.309 17.325 ( -0.892 0.000 -1.005) 1.344 17.355 ( -0.613 0.000 -1.912) 2.007 17.388 ( 0.650 0.000 -1.428) 1.569 17.455 ( 4.320 0.000 4.818) 6.471 17.486 ( 0.957 0.000 -0.298) 1.002 17.653 ( 2.017 0.000 0.985) 2.244 17.732 ( 2.108 0.000 -0.736) 2.233 17.797 ( -0.313 0.000 -0.805) 0.863 17.826 ( 0.784 0.000 -1.422) 1.624 17.892 ( 0.964 0.000 -0.866) 1.296 17.950 ( 2.163 0.000 -0.452) 2.209 18.386 ( -1.721 0.000 4.064) 4.413 18.416 ( 2.471 0.000 -0.644) 2.553 18.427 ( -1.425 0.000 3.145) 3.453 18.510 ( 2.747 0.000 1.025) 2.932 18.638 ( -5.215 0.000 4.771) 7.068 18.710 ( 4.696 0.000 -5.445) 7.190 18.786 ( -4.317 0.000 3.958) 5.857 18.827 ( 0.639 0.000 -3.003) 3.070 20.153 ( -0.994 0.000 -0.749) 1.245 20.349 ( -4.400 0.000 -2.112) 4.880 20.513 ( 4.680 0.000 -9.417) 10.516 20.725 ( 2.883 0.000 -3.304) 4.385 21.630 ( -1.373 0.000 1.173) 1.806 21.750 ( 7.615 0.000 -6.537) 10.036 21.867 ( -2.438 0.000 -1.245) 2.738 22.020 ( -3.934 0.000 -5.076) 6.422 22.199 ( -2.610 0.000 -2.424) 3.562 22.271 ( -1.273 0.000 3.301) 3.538 22.400 ( 5.847 0.000 6.620) 8.832 22.854 ( -3.990 0.000 8.024) 8.961 25.270 ( 4.666 0.000 -5.371) 7.115 25.395 ( -3.453 0.000 4.626) 5.773 25.608 ( -5.281 0.000 -5.735) 7.797 25.612 ( -8.241 0.000 2.327) 8.564 29.121 ( 1.042 0.000 0.208) 1.062 29.168 ( 0.968 0.000 0.360) 1.033 29.225 ( 3.541 0.000 0.565) 3.586 29.226 ( 1.755 0.000 0.673) 1.880 29.499 ( -1.293 0.000 -0.463) 1.373 29.537 ( -1.916 0.000 -0.181) 1.925 29.578 ( -1.261 0.000 -0.904) 1.551 29.665 ( -0.693 0.000 0.414) 0.807 30.970 ( -0.939 0.000 -1.827) 2.054 31.085 ( 3.414 0.000 -3.336) 4.774 31.106 ( -4.099 0.000 2.549) 4.827 31.609 ( -0.801 0.000 -2.109) 2.256 31.743 ( -1.257 0.000 -0.077) 1.260 31.745 ( 10.809 0.000 6.398) 12.561 31.991 ( -2.772 0.000 -6.331) 6.911 32.060 ( 2.809 0.000 -4.945) 5.687 32.208 ( -0.986 0.000 5.605) 5.691 32.230 ( -0.499 0.000 -6.218) 6.238 32.388 ( 3.015 0.000 -4.469) 5.391 32.798 ( -4.838 0.000 1.644) 5.110 32.851 ( 1.625 0.000 1.908) 2.506 32.935 ( 5.491 0.000 0.611) 5.525 33.126 ( 4.467 0.000 0.456) 4.490 33.195 ( -2.591 0.000 -1.680) 3.088 33.301 ( -1.410 0.000 -0.781) 1.612 33.737 ( -17.758 0.000 12.697) 21.830 34.321 ( 4.501 0.000 -8.104) 9.270 34.551 ( 0.454 0.000 -11.713) 11.722 34.668 ( -0.419 0.000 3.465) 3.490 34.887 ( 1.421 0.000 -2.096) 2.533 35.649 ( 8.243 0.000 20.397) 21.999 35.671 ( 5.338 0.000 7.008) 8.809 106.324 ( -0.762 0.000 0.801) 1.105 106.339 ( -0.028 0.000 -0.047) 0.054 106.382 ( -0.655 0.000 0.171) 0.677 106.409 ( 0.101 0.000 0.188) 0.214 108.392 ( 0.891 0.000 -0.924) 1.283 108.414 ( 0.566 0.000 0.485) 0.746 108.430 ( 0.214 0.000 -0.241) 0.323 108.502 ( 0.323 0.000 0.928) 0.982 ======================= Grid point 139 (73/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 23.823 0.000 -9.189) 25.533 1.511 ( 19.601 0.000 -21.726) 29.261 2.045 ( -1.189 0.000 -9.328) 9.403 2.298 ( 6.275 0.000 -5.169) 8.130 2.330 ( -13.804 0.000 -0.182) 13.805 2.486 ( 5.539 0.000 -6.270) 8.366 2.517 ( 11.341 0.000 -1.330) 11.419 2.645 ( -4.043 0.000 3.200) 5.156 2.692 ( 4.144 0.000 -6.691) 7.870 2.859 ( 14.531 0.000 -6.931) 16.099 2.956 ( 1.946 0.000 -13.312) 13.454 3.039 ( -2.500 0.000 -2.350) 3.431 3.075 ( -8.581 0.000 -2.585) 8.962 3.171 ( -0.393 0.000 -2.639) 2.668 3.283 ( -8.020 0.000 -7.154) 10.747 3.364 ( -3.504 0.000 -0.329) 3.519 3.409 ( -2.508 0.000 7.982) 8.367 3.452 ( -4.987 0.000 -0.390) 5.002 3.653 ( 1.656 0.000 -3.022) 3.446 3.709 ( 2.607 0.000 -1.524) 3.020 3.810 ( 3.590 0.000 -3.788) 5.219 3.919 ( 3.790 0.000 -1.571) 4.102 3.944 ( -11.104 0.000 -1.091) 11.157 4.065 ( -1.956 0.000 0.348) 1.987 4.084 ( 5.254 0.000 3.193) 6.148 4.246 ( -7.273 0.000 -0.243) 7.277 4.262 ( -2.009 0.000 5.384) 5.746 4.395 ( -4.223 0.000 0.634) 4.271 4.475 ( 0.825 0.000 -8.250) 8.291 4.569 ( 9.077 0.000 -3.840) 9.856 4.750 ( 3.796 0.000 -1.491) 4.078 4.812 ( -0.642 0.000 -8.604) 8.628 4.843 ( -6.011 0.000 5.385) 8.070 4.886 ( -3.196 0.000 8.595) 9.170 5.079 ( 3.803 0.000 3.116) 4.917 5.136 ( 4.416 0.000 -6.343) 7.729 5.193 ( 3.249 0.000 4.721) 5.731 5.232 ( 3.564 0.000 0.513) 3.601 5.271 ( 4.731 0.000 -2.838) 5.517 5.361 ( 6.269 0.000 0.913) 6.335 5.488 ( -2.996 0.000 4.455) 5.369 5.545 ( 1.294 0.000 -2.676) 2.973 5.562 ( -2.277 0.000 8.295) 8.602 5.726 ( -5.630 0.000 1.302) 5.779 5.777 ( 1.632 0.000 -2.738) 3.188 5.817 ( 1.368 0.000 0.239) 1.389 5.918 ( -7.748 0.000 -5.110) 9.282 5.960 ( -9.012 0.000 9.679) 13.225 6.051 ( 3.152 0.000 5.431) 6.279 6.051 ( 1.418 0.000 2.140) 2.567 6.125 ( -2.461 0.000 6.242) 6.710 6.239 ( -7.796 0.000 5.461) 9.518 6.271 ( 8.251 0.000 1.465) 8.380 6.374 ( -1.628 0.000 7.078) 7.263 6.443 ( -1.765 0.000 2.590) 3.134 6.589 ( -4.330 0.000 3.591) 5.625 6.632 ( 3.575 0.000 0.213) 3.581 6.682 ( -3.641 0.000 -5.107) 6.272 6.831 ( -0.485 0.000 3.549) 3.582 6.852 ( 2.486 0.000 3.281) 4.116 6.858 ( -0.751 0.000 1.339) 1.535 6.864 ( 2.035 0.000 -2.051) 2.889 6.951 ( 0.107 0.000 -2.220) 2.223 7.010 ( 1.428 0.000 -2.997) 3.319 7.494 ( -1.852 0.000 1.559) 2.421 7.576 ( 3.657 0.000 5.323) 6.458 7.687 ( -3.316 0.000 3.406) 4.754 7.873 ( -0.044 0.000 6.826) 6.826 7.941 ( -3.910 0.000 -1.974) 4.380 8.022 ( 0.871 0.000 -3.170) 3.287 8.391 ( 4.290 0.000 7.708) 8.822 8.464 ( 2.419 0.000 12.716) 12.944 9.270 ( -0.302 0.000 1.963) 1.986 9.332 ( 1.915 0.000 -1.865) 2.673 9.540 ( 2.488 0.000 -8.762) 9.109 9.553 ( -0.936 0.000 0.427) 1.029 9.685 ( 3.720 0.000 1.093) 3.877 9.751 ( 1.827 0.000 -5.829) 6.109 9.809 ( -1.431 0.000 -8.977) 9.090 9.926 ( -1.876 0.000 -3.569) 4.032 10.165 ( -2.465 0.000 1.839) 3.076 10.219 ( 0.300 0.000 -4.800) 4.809 10.486 ( -1.784 0.000 -3.236) 3.696 10.583 ( -1.853 0.000 1.930) 2.675 10.857 ( 3.400 0.000 7.916) 8.615 10.991 ( -0.949 0.000 6.536) 6.605 11.004 ( 1.120 0.000 -2.825) 3.039 11.185 ( -7.784 0.000 8.871) 11.802 11.614 ( 4.798 0.000 -2.468) 5.395 11.756 ( -5.326 0.000 7.414) 9.129 12.144 ( -0.010 0.000 -3.503) 3.503 12.167 ( 0.036 0.000 -4.385) 4.386 12.257 ( 3.426 0.000 -6.572) 7.412 12.290 ( -3.651 0.000 -2.843) 4.628 12.475 ( -2.016 0.000 -5.250) 5.624 12.513 ( -0.158 0.000 -4.390) 4.393 12.636 ( 0.775 0.000 -1.355) 1.561 12.655 ( -0.046 0.000 2.809) 2.809 12.801 ( 0.254 0.000 0.888) 0.924 12.883 ( 2.412 0.000 -0.648) 2.498 13.067 ( 1.538 0.000 -0.642) 1.667 13.130 ( -0.068 0.000 -0.169) 0.182 13.187 ( -0.752 0.000 -3.329) 3.413 13.190 ( -1.589 0.000 0.329) 1.622 13.365 ( -1.701 0.000 2.552) 3.066 13.462 ( -3.281 0.000 1.803) 3.744 13.531 ( -3.986 0.000 2.498) 4.703 13.560 ( -2.643 0.000 -1.221) 2.912 13.845 ( 1.991 0.000 2.890) 3.509 13.872 ( 2.272 0.000 1.214) 2.577 13.974 ( 3.534 0.000 3.526) 4.992 14.034 ( 3.363 0.000 0.755) 3.446 17.030 ( 0.083 0.000 -1.110) 1.113 17.092 ( -0.854 0.000 -0.607) 1.048 17.222 ( -0.088 0.000 3.389) 3.390 17.231 ( -0.499 0.000 1.497) 1.578 17.273 ( 1.858 0.000 -0.069) 1.859 17.313 ( 0.612 0.000 -1.675) 1.783 17.330 ( -0.721 0.000 0.743) 1.036 17.463 ( 6.027 0.000 5.289) 8.018 17.471 ( -0.849 0.000 -2.245) 2.400 17.596 ( 3.976 0.000 6.775) 7.856 17.692 ( 1.706 0.000 1.059) 2.008 17.754 ( 2.087 0.000 -0.393) 2.124 17.787 ( 0.401 0.000 -0.771) 0.869 17.817 ( 0.463 0.000 -1.275) 1.356 17.879 ( -0.278 0.000 -1.995) 2.014 17.942 ( -0.038 0.000 -3.293) 3.293 18.408 ( -2.146 0.000 3.962) 4.506 18.444 ( 2.782 0.000 -0.665) 2.860 18.458 ( -1.138 0.000 4.080) 4.236 18.534 ( -0.040 0.000 -0.657) 0.658 18.631 ( -4.542 0.000 4.733) 6.560 18.692 ( 3.539 0.000 -6.296) 7.223 18.780 ( -4.074 0.000 4.247) 5.885 18.786 ( 1.872 0.000 -4.830) 5.181 20.193 ( 0.383 0.000 3.575) 3.595 20.319 ( 0.955 0.000 3.753) 3.872 20.425 ( 1.821 0.000 -10.674) 10.828 20.686 ( 0.574 0.000 -6.208) 6.234 21.627 ( -1.661 0.000 1.625) 2.324 21.726 ( 4.222 0.000 -9.638) 10.523 21.835 ( -0.801 0.000 -0.356) 0.877 21.912 ( -2.154 0.000 -3.743) 4.319 22.185 ( 0.719 0.000 1.845) 1.980 22.286 ( -2.113 0.000 2.606) 3.355 22.584 ( 5.241 0.000 8.113) 9.659 22.867 ( -5.677 0.000 4.801) 7.435 25.284 ( 6.403 0.000 -4.477) 7.813 25.392 ( -4.353 0.000 3.478) 5.572 25.463 ( -1.564 0.000 -7.615) 7.774 25.521 ( -8.992 0.000 2.612) 9.364 29.142 ( 1.545 0.000 0.279) 1.570 29.184 ( 0.652 0.000 0.232) 0.692 29.261 ( 2.172 0.000 0.378) 2.204 29.274 ( 1.849 0.000 0.830) 2.027 29.475 ( -1.587 0.000 -0.108) 1.591 29.498 ( -2.107 0.000 -1.145) 2.398 29.559 ( -0.650 0.000 0.171) 0.672 29.648 ( -1.640 0.000 -0.673) 1.772 30.952 ( 1.089 0.000 -1.190) 1.613 31.066 ( -4.735 0.000 1.031) 4.846 31.104 ( 3.957 0.000 -1.690) 4.303 31.438 ( -7.033 0.000 -7.397) 10.207 31.749 ( 1.342 0.000 0.957) 1.648 31.915 ( -0.076 0.000 -1.835) 1.837 32.010 ( 0.166 0.000 1.338) 1.348 32.050 ( 6.144 0.000 -4.096) 7.385 32.181 ( 4.490 0.000 4.029) 6.032 32.244 ( -3.092 0.000 4.201) 5.216 32.391 ( 3.544 0.000 -2.423) 4.293 32.598 ( -9.725 0.000 -13.256) 16.441 32.932 ( 4.950 0.000 2.918) 5.746 33.013 ( 5.710 0.000 -0.539) 5.735 33.142 ( 0.379 0.000 2.338) 2.369 33.201 ( 4.057 0.000 1.925) 4.490 33.378 ( 2.688 0.000 2.595) 3.736 33.634 ( -18.081 0.000 9.686) 20.512 34.234 ( 6.180 0.000 -12.202) 13.678 34.497 ( 4.179 0.000 -2.003) 4.634 34.559 ( -6.556 0.000 -7.642) 10.069 34.868 ( -4.386 0.000 -0.257) 4.393 35.881 ( 8.974 0.000 8.308) 12.230 36.031 ( 1.570 0.000 21.471) 21.528 106.325 ( -0.728 0.000 0.877) 1.140 106.336 ( -0.104 0.000 -0.288) 0.306 106.378 ( -0.386 0.000 0.387) 0.547 106.407 ( -0.592 0.000 -0.075) 0.597 108.395 ( 0.952 0.000 -0.662) 1.159 108.414 ( -0.246 0.000 -0.199) 0.317 108.454 ( 1.338 0.000 1.398) 1.935 108.513 ( -0.054 0.000 0.348) 0.353 ======================= Grid point 140 (74/84) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 16.442 0.000 -8.893) 18.693 1.689 ( 5.181 0.000 -6.672) 8.448 1.904 ( 5.416 0.000 -2.025) 5.782 2.111 ( -17.965 0.000 0.887) 17.987 2.405 ( 11.292 0.000 -2.442) 11.553 2.527 ( 9.674 0.000 -6.095) 11.434 2.532 ( -7.693 0.000 -0.457) 7.707 2.563 ( -5.781 0.000 3.217) 6.616 2.702 ( 5.280 0.000 -0.637) 5.319 2.821 ( -8.466 0.000 -4.144) 9.425 2.910 ( 7.780 0.000 -2.285) 8.109 2.977 ( 0.499 0.000 1.713) 1.785 3.113 ( -6.108 0.000 -1.659) 6.329 3.137 ( 0.235 0.000 -5.443) 5.448 3.182 ( 6.884 0.000 -2.182) 7.222 3.289 ( -11.493 0.000 4.276) 12.262 3.358 ( 9.974 0.000 -5.403) 11.344 3.476 ( -6.465 0.000 4.375) 7.806 3.687 ( 0.487 0.000 1.941) 2.001 3.757 ( 13.239 0.000 -3.956) 13.817 3.783 ( -6.351 0.000 -0.355) 6.361 3.872 ( 8.114 0.000 -2.804) 8.585 3.913 ( -7.626 0.000 4.663) 8.938 4.003 ( -4.979 0.000 -2.683) 5.656 4.188 ( 3.907 0.000 0.215) 3.913 4.199 ( -4.598 0.000 4.922) 6.736 4.337 ( 0.697 0.000 5.254) 5.300 4.354 ( -2.288 0.000 1.587) 2.785 4.424 ( 2.428 0.000 -0.760) 2.544 4.563 ( -2.167 0.000 -11.759) 11.957 4.706 ( 6.090 0.000 1.245) 6.216 4.773 ( -3.777 0.000 -0.748) 3.851 4.805 ( 2.953 0.000 -2.889) 4.131 4.879 ( -7.878 0.000 0.949) 7.935 5.136 ( 0.630 0.000 2.160) 2.250 5.153 ( 3.439 0.000 -1.996) 3.977 5.272 ( 1.757 0.000 0.421) 1.807 5.273 ( 1.133 0.000 2.392) 2.647 5.328 ( -0.168 0.000 1.782) 1.790 5.379 ( -0.622 0.000 -3.466) 3.521 5.529 ( 4.563 0.000 3.728) 5.893 5.564 ( 4.213 0.000 -1.308) 4.411 5.600 ( -3.044 0.000 2.853) 4.172 5.658 ( -7.720 0.000 0.073) 7.720 5.776 ( 4.118 0.000 -0.640) 4.167 5.788 ( -1.188 0.000 0.878) 1.478 5.881 ( 2.089 0.000 -0.341) 2.117 5.924 ( -5.304 0.000 0.686) 5.349 6.089 ( -0.018 0.000 3.558) 3.558 6.140 ( 2.771 0.000 -3.208) 4.239 6.202 ( -1.237 0.000 7.823) 7.920 6.210 ( -3.519 0.000 5.113) 6.207 6.369 ( 5.025 0.000 -0.665) 5.069 6.435 ( -2.155 0.000 0.104) 2.158 6.446 ( 3.031 0.000 0.642) 3.098 6.506 ( -5.611 0.000 -3.008) 6.367 6.645 ( -1.596 0.000 3.936) 4.247 6.666 ( 1.434 0.000 -1.302) 1.936 6.824 ( -1.511 0.000 1.889) 2.419 6.837 ( 0.236 0.000 -1.669) 1.685 6.869 ( -1.009 0.000 1.183) 1.555 6.902 ( -3.957 0.000 1.022) 4.087 6.963 ( 2.508 0.000 -2.978) 3.893 6.964 ( 1.557 0.000 -0.063) 1.558 7.553 ( 4.591 0.000 2.607) 5.280 7.646 ( -5.720 0.000 0.451) 5.738 7.705 ( 4.093 0.000 5.593) 6.931 7.825 ( -3.890 0.000 -4.213) 5.735 7.959 ( -1.476 0.000 5.028) 5.240 7.992 ( 1.723 0.000 -4.178) 4.519 8.550 ( 3.863 0.000 6.213) 7.316 8.602 ( -1.209 0.000 5.283) 5.420 9.299 ( -0.376 0.000 2.915) 2.939 9.323 ( 1.065 0.000 -2.478) 2.698 9.483 ( 2.316 0.000 -4.335) 4.915 9.512 ( -1.792 0.000 -3.252) 3.713 9.700 ( 0.796 0.000 -2.897) 3.004 9.703 ( -0.993 0.000 -2.692) 2.869 9.776 ( 5.555 0.000 0.391) 5.569 9.853 ( -3.648 0.000 -1.620) 3.992 10.165 ( -2.184 0.000 3.029) 3.734 10.180 ( 2.106 0.000 -4.046) 4.561 10.479 ( 1.262 0.000 1.550) 1.999 10.539 ( -2.951 0.000 -2.157) 3.655 11.003 ( 6.891 0.000 2.779) 7.430 11.019 ( 1.192 0.000 1.659) 2.043 11.031 ( -1.413 0.000 2.402) 2.786 11.131 ( -8.845 0.000 1.617) 8.992 11.683 ( 7.977 0.000 -1.206) 8.067 11.760 ( -7.692 0.000 5.927) 9.711 12.091 ( -0.099 0.000 -3.179) 3.181 12.104 ( -1.256 0.000 -3.111) 3.355 12.230 ( -1.296 0.000 0.052) 1.297 12.234 ( 1.901 0.000 -3.164) 3.691 12.413 ( 0.601 0.000 -2.133) 2.216 12.440 ( -2.092 0.000 -2.766) 3.468 12.655 ( 2.795 0.000 -0.804) 2.908 12.673 ( -1.691 0.000 1.753) 2.436 12.831 ( 0.629 0.000 2.662) 2.735 12.875 ( -0.340 0.000 -2.474) 2.497 13.083 ( 1.752 0.000 -0.014) 1.752 13.119 ( -1.755 0.000 -1.008) 2.024 13.147 ( 1.424 0.000 -1.556) 2.109 13.166 ( -1.988 0.000 0.161) 1.994 13.390 ( 0.843 0.000 2.027) 2.196 13.431 ( -2.557 0.000 -0.249) 2.569 13.517 ( -2.449 0.000 2.340) 3.388 13.524 ( 0.140 0.000 -1.722) 1.728 13.894 ( 0.857 0.000 1.479) 1.709 13.904 ( 0.759 0.000 0.148) 0.774 14.049 ( 1.227 0.000 2.601) 2.876 14.070 ( 1.357 0.000 -0.716) 1.534 17.036 ( 1.463 0.000 0.060) 1.464 17.064 ( -1.578 0.000 -0.720) 1.735 17.243 ( -0.068 0.000 0.941) 0.944 17.249 ( -0.709 0.000 1.168) 1.366 17.296 ( 2.279 0.000 -1.103) 2.532 17.305 ( -1.405 0.000 1.471) 2.034 17.352 ( 2.080 0.000 1.179) 2.391 17.413 ( -2.181 0.000 -2.911) 3.638 17.653 ( 6.209 0.000 8.555) 10.571 17.710 ( 1.313 0.000 3.594) 3.827 17.722 ( 0.769 0.000 0.576) 0.961 17.775 ( 1.540 0.000 -1.159) 1.927 17.793 ( 0.869 0.000 0.474) 0.990 17.810 ( 0.581 0.000 -0.085) 0.587 17.822 ( -2.841 0.000 -3.824) 4.763 17.870 ( -2.065 0.000 -4.482) 4.935 18.439 ( -0.727 0.000 4.026) 4.091 18.470 ( 1.820 0.000 -1.298) 2.235 18.485 ( -2.162 0.000 3.415) 4.042 18.500 ( 0.344 0.000 -3.614) 3.631 18.633 ( -3.927 0.000 5.079) 6.420 18.656 ( 3.230 0.000 -6.174) 6.968 18.772 ( 4.208 0.000 -4.329) 6.037 18.778 ( -4.199 0.000 4.284) 5.998 20.230 ( -1.361 0.000 5.406) 5.574 20.311 ( 0.766 0.000 -9.120) 9.153 20.449 ( 2.494 0.000 9.244) 9.575 20.588 ( -0.875 0.000 -8.482) 8.527 21.629 ( -2.411 0.000 3.580) 4.317 21.660 ( 2.740 0.000 -7.082) 7.593 21.834 ( 0.338 0.000 0.609) 0.696 21.858 ( -0.912 0.000 -1.842) 2.055 22.235 ( 2.685 0.000 1.132) 2.914 22.275 ( -2.726 0.000 0.948) 2.886 22.734 ( 4.571 0.000 4.206) 6.211 22.824 ( -5.424 0.000 0.787) 5.481 25.329 ( 6.961 0.000 -3.738) 7.901 25.367 ( -5.084 0.000 3.200) 6.007 25.395 ( 4.037 0.000 -5.387) 6.732 25.434 ( -8.466 0.000 3.316) 9.092 29.169 ( 1.527 0.000 0.350) 1.567 29.187 ( -0.502 0.000 -0.086) 0.509 29.291 ( 1.559 0.000 -0.136) 1.565 29.297 ( 0.104 0.000 0.589) 0.598 29.455 ( -1.210 0.000 0.509) 1.313 29.461 ( -0.583 0.000 -1.225) 1.357 29.569 ( 0.732 0.000 1.272) 1.468 29.607 ( -1.805 0.000 -1.535) 2.370 30.968 ( 2.950 0.000 -0.862) 3.074 31.010 ( -4.319 0.000 0.623) 4.363 31.159 ( 5.006 0.000 0.698) 5.054 31.267 ( -6.356 0.000 -4.001) 7.510 31.807 ( 3.400 0.000 2.962) 4.510 31.916 ( -4.174 0.000 -5.215) 6.680 31.945 ( 1.278 0.000 4.727) 4.897 32.029 ( 1.222 0.000 -5.880) 6.005 32.245 ( -2.396 0.000 3.394) 4.155 32.321 ( -5.152 0.000 -5.353) 7.430 32.360 ( 5.017 0.000 0.424) 5.035 32.407 ( 1.359 0.000 -1.530) 2.046 33.033 ( 2.268 0.000 3.560) 4.221 33.065 ( 3.864 0.000 -3.061) 4.930 33.260 ( 8.523 0.000 5.543) 10.167 33.293 ( 4.569 0.000 2.970) 5.449 33.385 ( -2.623 0.000 -1.622) 3.084 33.469 ( -15.901 0.000 1.891) 16.013 34.229 ( 6.541 0.000 -1.877) 6.805 34.361 ( -6.595 0.000 -7.071) 9.669 34.598 ( 10.062 0.000 0.715) 10.087 34.756 ( -10.012 0.000 -0.616) 10.031 36.090 ( 9.591 0.000 2.568) 9.929 36.180 ( -7.059 0.000 8.418) 10.987 106.326 ( -0.474 0.000 0.730) 0.871 106.330 ( 0.126 0.000 -0.522) 0.537 106.382 ( 0.063 0.000 0.562) 0.566 106.394 ( -0.564 0.000 -0.519) 0.766 108.401 ( 0.801 0.000 -0.353) 0.875 108.408 ( -0.510 0.000 0.057) 0.513 108.488 ( 0.912 0.000 1.209) 1.514 108.509 ( -0.460 0.000 -0.432) 0.631 ======================= Grid point 145 (75/84) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.646 ( 0.931 5.181 -18.785) 19.509 1.646 ( -0.931 5.181 18.785) 19.509 1.840 ( -0.318 6.301 -21.155) 22.076 1.840 ( 0.318 6.301 21.155) 22.076 2.474 ( -0.977 -5.212 -4.263) 6.804 2.474 ( 0.977 -5.212 4.263) 6.804 2.732 ( -5.606 -4.732 -0.375) 7.345 2.732 ( 5.606 -4.732 0.375) 7.345 2.792 ( -3.994 -5.647 -3.863) 7.922 2.792 ( 3.994 -5.647 3.863) 7.922 3.067 ( -2.567 2.045 -2.516) 4.135 3.067 ( 2.567 2.045 2.516) 4.135 3.373 ( 2.664 -3.598 -6.449) 7.851 3.373 ( -2.664 -3.598 6.449) 7.851 3.650 ( 4.415 1.571 -2.146) 5.154 3.650 ( -4.415 1.571 2.146) 5.154 3.724 ( 1.762 3.252 -4.191) 5.590 3.724 ( -1.762 3.252 4.191) 5.590 3.794 ( -0.051 -4.242 -7.903) 8.970 3.794 ( 0.051 -4.242 7.903) 8.970 3.923 ( -2.032 0.523 -9.601) 9.828 3.923 ( 2.032 0.523 9.601) 9.828 4.043 ( 0.690 -1.059 -4.911) 5.071 4.043 ( -0.690 -1.059 4.911) 5.071 4.143 ( 1.918 -3.186 -4.095) 5.531 4.143 ( -1.918 -3.186 4.095) 5.531 4.308 ( 3.311 3.388 -6.582) 8.110 4.308 ( -3.311 3.388 6.582) 8.110 4.586 ( -0.305 6.975 -2.948) 7.578 4.586 ( 0.305 6.975 2.948) 7.578 4.759 ( 0.817 -0.676 -6.405) 6.492 4.759 ( -0.817 -0.676 6.405) 6.492 4.832 ( -1.973 2.782 -2.753) 4.383 4.832 ( 1.973 2.782 2.753) 4.383 5.022 ( -7.173 6.043 -4.209) 10.281 5.022 ( 7.173 6.043 4.209) 10.281 5.107 ( -1.482 -1.510 -2.656) 3.396 5.107 ( 1.482 -1.510 2.656) 3.396 5.208 ( -3.308 -1.793 -11.126) 11.745 5.208 ( 3.308 -1.793 11.126) 11.745 5.407 ( -0.371 2.471 -3.235) 4.088 5.407 ( 0.371 2.471 3.235) 4.088 5.525 ( -7.938 2.398 1.940) 8.516 5.525 ( 7.938 2.398 -1.940) 8.516 5.696 ( -2.892 -4.225 -4.670) 6.930 5.696 ( 2.892 -4.225 4.670) 6.930 5.877 ( -5.094 -4.574 -0.753) 6.887 5.877 ( 5.094 -4.574 0.753) 6.887 6.021 ( -5.124 -0.207 -0.684) 5.174 6.021 ( 5.124 -0.207 0.684) 5.174 6.223 ( -2.446 4.358 -3.352) 6.017 6.223 ( 2.446 4.358 3.352) 6.017 6.392 ( -7.133 -9.999 -1.869) 12.424 6.392 ( 7.133 -9.999 1.869) 12.424 6.441 ( -0.627 -2.436 -2.644) 3.649 6.441 ( 0.627 -2.436 2.644) 3.649 6.626 ( -1.833 0.326 0.138) 1.867 6.626 ( 1.833 0.326 -0.138) 1.867 6.770 ( -1.467 1.573 -0.547) 2.219 6.770 ( 1.467 1.573 0.547) 2.219 6.887 ( -1.974 6.350 -3.125) 7.347 6.887 ( 1.974 6.350 3.125) 7.347 7.034 ( 1.405 1.173 -2.932) 3.456 7.034 ( -1.405 1.173 2.932) 3.456 7.504 ( -2.372 -1.627 -2.160) 3.597 7.504 ( 2.372 -1.627 2.160) 3.597 7.677 ( 1.926 1.405 -1.195) 2.667 7.677 ( -1.926 1.405 1.195) 2.667 7.981 ( 2.847 -0.047 -4.676) 5.475 7.981 ( -2.847 -0.047 4.676) 5.475 8.163 ( -1.396 1.424 -0.958) 2.212 8.163 ( 1.396 1.424 0.958) 2.212 9.256 ( 1.870 0.353 -1.293) 2.301 9.256 ( -1.870 0.353 1.293) 2.301 9.543 ( 1.263 0.469 -2.036) 2.441 9.543 ( -1.263 0.469 2.036) 2.441 9.937 ( -0.202 0.194 -2.012) 2.031 9.937 ( 0.202 0.194 2.012) 2.031 9.988 ( 2.816 1.040 -4.897) 5.744 9.988 ( -2.816 1.040 4.897) 5.744 10.302 ( -0.695 0.389 -3.319) 3.414 10.302 ( 0.695 0.389 3.319) 3.414 10.456 ( -8.628 -2.930 -6.663) 11.289 10.456 ( 8.628 -2.930 6.663) 11.289 10.756 ( -0.674 -0.085 -4.260) 4.314 10.756 ( 0.674 -0.085 4.260) 4.314 11.034 ( -4.241 -3.515 -1.104) 5.618 11.034 ( 4.241 -3.515 1.104) 5.618 11.643 ( 0.811 -1.208 -2.583) 2.965 11.643 ( -0.811 -1.208 2.583) 2.965 12.250 ( 1.262 -0.444 -1.867) 2.297 12.250 ( -1.262 -0.444 1.867) 2.297 12.335 ( 1.998 1.785 -1.038) 2.873 12.335 ( -1.998 1.785 1.038) 2.873 12.551 ( 1.873 0.144 -1.758) 2.572 12.551 ( -1.873 0.144 1.758) 2.572 12.706 ( 2.670 0.242 -2.547) 3.698 12.706 ( -2.670 0.242 2.547) 3.698 12.803 ( -1.668 -0.837 -1.340) 2.298 12.803 ( 1.668 -0.837 1.340) 2.298 13.083 ( -0.952 -0.328 -2.858) 3.030 13.083 ( 0.952 -0.328 2.858) 3.030 13.150 ( -1.480 -1.201 -0.700) 2.031 13.150 ( 1.480 -1.201 0.700) 2.031 13.504 ( -2.043 1.316 -0.726) 2.536 13.504 ( 2.043 1.316 0.726) 2.536 13.601 ( -2.083 -1.033 -0.206) 2.334 13.601 ( 2.083 -1.033 0.206) 2.334 13.724 ( 1.042 1.569 -1.397) 2.345 13.724 ( -1.042 1.569 1.397) 2.345 13.848 ( -2.674 -1.171 -0.249) 2.930 13.848 ( 2.674 -1.171 0.249) 2.930 17.092 ( -0.544 -0.161 -0.146) 0.586 17.092 ( 0.544 -0.161 0.146) 0.586 17.159 ( 1.422 -2.928 -1.071) 3.427 17.159 ( -1.422 -2.928 1.071) 3.427 17.299 ( 0.233 1.697 -0.648) 1.831 17.299 ( -0.233 1.697 0.648) 1.831 17.425 ( -0.547 0.151 -1.178) 1.308 17.425 ( 0.547 0.151 1.178) 1.308 17.519 ( -4.103 0.762 -3.239) 5.283 17.519 ( 4.103 0.762 3.239) 5.283 17.634 ( -6.111 -1.056 -2.096) 6.546 17.634 ( 6.111 -1.056 2.096) 6.546 17.826 ( 0.581 -0.996 -0.754) 1.378 17.826 ( -0.581 -0.996 0.754) 1.378 17.864 ( -0.211 0.512 -0.562) 0.789 17.864 ( 0.211 0.512 0.562) 0.789 18.371 ( 2.383 0.736 -1.406) 2.863 18.371 ( -2.383 0.736 1.406) 2.863 18.414 ( 1.189 0.159 -1.866) 2.218 18.414 ( -1.189 0.159 1.866) 2.218 18.692 ( 4.799 1.340 -4.729) 6.870 18.692 ( -4.799 1.340 4.729) 6.870 18.809 ( 3.459 -1.069 -3.876) 5.304 18.809 ( -3.459 -1.069 3.876) 5.304 20.399 ( -6.336 -2.865 0.901) 7.012 20.399 ( 6.336 -2.865 -0.901) 7.012 20.610 ( -3.449 2.188 -1.917) 4.512 20.610 ( 3.449 2.188 1.917) 4.512 21.675 ( 3.743 1.385 -1.932) 4.434 21.675 ( -3.743 1.385 1.932) 4.434 22.021 ( -4.630 -1.493 -2.080) 5.291 22.021 ( 4.630 -1.493 2.080) 5.291 22.211 ( -1.441 1.721 -3.308) 3.998 22.211 ( 1.441 1.721 3.308) 3.998 22.589 ( -2.605 -1.753 -9.931) 10.416 22.589 ( 2.605 -1.753 9.931) 10.416 25.338 ( 2.276 0.812 -5.646) 6.141 25.338 ( -2.276 0.812 5.646) 6.141 25.692 ( 2.759 -3.929 -2.642) 5.480 25.692 ( -2.759 -3.929 2.642) 5.480 29.097 ( -0.234 -1.137 -0.252) 1.188 29.097 ( 0.234 -1.137 0.252) 1.188 29.201 ( -0.172 1.705 -0.549) 1.799 29.201 ( 0.172 1.705 0.549) 1.799 29.552 ( -0.341 0.743 -0.695) 1.073 29.552 ( 0.341 0.743 0.695) 1.073 29.642 ( -0.450 0.168 -1.036) 1.142 29.642 ( 0.450 0.168 1.036) 1.142 31.083 ( 2.486 -1.168 -1.590) 3.174 31.083 ( -2.486 -1.168 1.590) 3.174 31.178 ( -4.767 2.255 -2.467) 5.823 31.178 ( 4.767 2.255 2.467) 5.823 31.772 ( -0.954 -3.598 -3.644) 5.209 31.772 ( 0.954 -3.598 3.644) 5.209 32.107 ( -0.603 0.600 -5.220) 5.289 32.107 ( 0.603 0.600 5.220) 5.289 32.366 ( 3.874 8.246 -4.160) 10.015 32.366 ( -3.874 8.246 4.160) 10.015 32.536 ( -0.347 -0.043 -9.395) 9.402 32.536 ( 0.347 -0.043 9.395) 9.402 32.854 ( 1.575 1.961 -1.276) 2.820 32.854 ( -1.575 1.961 1.276) 2.820 33.107 ( -0.422 4.186 -1.187) 4.371 33.107 ( 0.422 4.186 1.187) 4.371 33.775 ( 0.973 -10.864 -10.430) 15.092 33.775 ( -0.973 -10.864 10.430) 15.092 34.072 ( -2.615 -0.501 -5.046) 5.705 34.072 ( 2.615 -0.501 5.046) 5.705 34.952 ( 2.433 7.191 -6.481) 9.982 34.952 ( -2.433 7.191 6.481) 9.982 35.454 ( -4.076 -4.865 0.477) 6.365 35.454 ( 4.076 -4.865 -0.477) 6.365 106.339 ( -0.522 0.726 -0.039) 0.895 106.339 ( 0.522 0.726 0.039) 0.895 106.394 ( -0.288 -0.376 -0.155) 0.498 106.394 ( 0.288 -0.376 0.155) 0.498 108.401 ( 0.442 0.370 -0.586) 0.822 108.401 ( -0.442 0.370 0.586) 0.822 108.458 ( -0.460 -0.122 -0.926) 1.041 108.458 ( 0.460 -0.122 0.926) 1.041 ======================= Grid point 147 (76/84) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 14.658 6.873 -18.431) 24.532 1.612 ( 7.344 11.614 -19.622) 23.955 1.899 ( 7.890 2.647 9.063) 12.304 2.122 ( 3.721 3.036 15.972) 16.678 2.426 ( -1.753 -5.089 0.188) 5.386 2.496 ( 3.531 -4.187 -9.728) 11.164 2.621 ( -1.300 3.697 -5.627) 6.857 2.646 ( -8.264 -0.260 2.057) 8.520 2.795 ( 9.199 -9.449 -8.429) 15.651 2.920 ( 3.257 -11.123 -0.765) 11.616 3.005 ( 0.654 2.376 -2.612) 3.591 3.088 ( -1.368 -0.589 -0.298) 1.519 3.267 ( 1.241 -2.462 -9.272) 9.673 3.347 ( -2.248 -4.354 -2.745) 5.617 3.487 ( -5.795 -1.043 -14.019) 15.205 3.514 ( -4.560 -3.618 -9.272) 10.948 3.653 ( -3.113 0.134 -3.969) 5.046 3.688 ( 0.252 5.080 -5.577) 7.548 3.736 ( 4.950 4.611 -12.256) 13.999 3.832 ( -0.623 -1.535 5.482) 5.727 3.879 ( 0.078 2.864 -3.900) 4.839 3.974 ( -4.717 -3.063 -1.805) 5.906 4.028 ( -3.809 -3.245 -1.442) 5.207 4.086 ( -5.586 2.046 5.410) 8.041 4.127 ( 1.402 0.983 2.457) 2.995 4.178 ( 3.679 -2.594 5.615) 7.196 4.319 ( 1.949 2.055 2.935) 4.079 4.395 ( -2.679 1.064 9.899) 10.310 4.584 ( 4.467 9.179 -0.694) 10.231 4.609 ( 1.618 0.132 -2.961) 3.377 4.740 ( -3.815 4.007 -6.633) 8.637 4.788 ( 2.299 -0.084 -1.703) 2.863 4.828 ( -0.990 2.774 3.454) 4.539 4.899 ( 3.957 -6.724 3.013) 8.363 4.941 ( -8.061 4.354 -1.548) 9.291 4.968 ( -3.503 -0.568 2.447) 4.310 5.106 ( 4.408 5.791 4.210) 8.408 5.112 ( 0.864 3.898 -3.138) 5.078 5.205 ( 2.551 -5.317 5.729) 8.222 5.276 ( 0.132 1.556 0.600) 1.673 5.400 ( 2.263 -0.795 -2.277) 3.307 5.522 ( -4.099 -5.609 5.227) 8.694 5.565 ( 7.605 5.550 7.767) 12.205 5.622 ( -2.455 -2.476 8.327) 9.028 5.687 ( 9.297 1.691 1.996) 9.658 5.765 ( 0.830 1.328 0.134) 1.572 5.794 ( -5.038 -0.738 1.794) 5.399 5.904 ( -6.376 -0.033 -1.001) 6.454 5.963 ( 0.732 -1.321 2.197) 2.666 6.042 ( -4.053 -0.726 2.832) 4.997 6.142 ( -0.867 2.474 -1.333) 2.942 6.283 ( -1.942 -3.665 0.670) 4.201 6.307 ( -0.974 -5.360 0.025) 5.448 6.403 ( -0.849 -3.925 0.529) 4.050 6.458 ( 0.298 -4.231 -3.366) 5.414 6.527 ( 6.368 -3.359 0.090) 7.201 6.579 ( -6.117 -2.054 1.586) 6.644 6.658 ( -0.850 -4.282 2.452) 5.007 6.756 ( -0.988 3.444 2.978) 4.659 6.798 ( 0.391 4.518 2.454) 5.156 6.822 ( -1.509 5.708 -0.806) 5.959 6.916 ( 0.662 4.936 -0.668) 5.025 7.016 ( 2.400 2.046 -4.759) 5.709 7.052 ( 0.663 2.851 0.501) 2.969 7.456 ( -2.390 -1.273 0.323) 2.727 7.560 ( 0.052 -2.478 2.561) 3.564 7.679 ( -1.467 2.321 1.244) 3.015 7.686 ( -1.821 1.709 5.606) 6.138 7.992 ( 1.204 -1.232 0.315) 1.751 8.048 ( 2.168 -0.172 5.667) 6.070 8.127 ( -1.809 0.759 -0.716) 2.089 8.212 ( 2.649 1.568 2.379) 3.890 9.255 ( -0.873 0.538 1.375) 1.716 9.276 ( 2.714 -0.051 -0.700) 2.803 9.539 ( 0.883 0.203 -0.603) 1.088 9.557 ( 0.729 0.623 0.462) 1.064 9.853 ( -1.468 1.033 -7.917) 8.117 9.894 ( 0.330 0.168 -7.653) 7.662 9.967 ( -0.530 0.283 -1.277) 1.411 10.001 ( 0.951 0.268 -1.766) 2.024 10.265 ( -3.715 -0.668 -0.115) 3.776 10.301 ( -5.060 0.470 -0.129) 5.084 10.389 ( 0.382 0.743 8.963) 9.002 10.663 ( 6.117 -4.365 6.907) 10.206 10.721 ( 0.269 0.551 -1.086) 1.247 10.828 ( -2.483 -5.435 1.971) 6.292 10.933 ( -5.105 0.968 5.496) 7.563 11.086 ( 1.776 -2.536 -0.907) 3.226 11.620 ( 1.049 -0.774 -3.050) 3.317 11.668 ( -0.789 -2.004 3.161) 3.825 12.237 ( 1.694 -0.780 -4.249) 4.640 12.248 ( 0.396 -0.435 -1.856) 1.947 12.316 ( -0.248 1.390 -0.900) 1.674 12.353 ( 3.204 1.805 -1.657) 4.033 12.536 ( 0.337 0.432 -0.882) 1.038 12.581 ( 2.200 0.658 0.004) 2.297 12.674 ( -3.585 -1.003 -1.683) 4.086 12.714 ( -0.489 -0.737 -0.280) 0.928 12.762 ( 1.955 -0.210 -2.170) 2.929 12.821 ( 1.924 0.320 -2.136) 2.892 13.041 ( -0.239 -0.493 -1.399) 1.502 13.123 ( 0.412 0.044 1.965) 2.008 13.149 ( -0.427 -1.346 2.013) 2.459 13.194 ( 1.470 -1.071 1.695) 2.486 13.455 ( -4.026 2.217 0.154) 4.599 13.517 ( -2.026 0.435 1.071) 2.333 13.572 ( -3.430 -0.799 2.009) 4.054 13.630 ( -0.616 -1.591 1.490) 2.265 13.733 ( 1.501 1.714 1.130) 2.543 13.759 ( 3.027 0.908 0.756) 3.249 13.825 ( 0.534 -0.285 -0.043) 0.606 13.896 ( 3.489 -1.467 0.223) 3.791 17.083 ( -1.249 -0.579 0.564) 1.488 17.105 ( 0.457 0.322 0.562) 0.793 17.155 ( -1.198 -2.947 1.240) 3.414 17.182 ( 1.907 -1.929 0.051) 2.713 17.294 ( -0.609 2.196 0.366) 2.307 17.320 ( 1.384 0.612 1.223) 1.946 17.392 ( -0.242 0.380 -3.244) 3.275 17.404 ( -2.094 -0.682 -1.612) 2.729 17.468 ( 0.349 0.445 -0.016) 0.566 17.486 ( -6.252 -0.645 -3.766) 7.327 17.613 ( 3.026 1.217 1.672) 3.665 17.706 ( 2.805 -0.505 -0.173) 2.856 17.815 ( -0.515 -0.184 -0.659) 0.857 17.826 ( 0.874 -0.509 -1.077) 1.477 17.877 ( 1.444 0.248 0.460) 1.535 17.901 ( 2.536 -0.507 1.066) 2.797 18.371 ( -1.761 0.927 2.971) 3.576 18.396 ( 2.201 0.524 -0.694) 2.366 18.407 ( -0.564 -0.271 1.853) 1.956 18.445 ( 2.215 -0.461 0.432) 2.303 18.675 ( -3.356 1.563 2.606) 4.527 18.713 ( 3.416 1.480 -2.078) 4.263 18.786 ( -2.123 -1.491 0.623) 2.668 18.825 ( 1.357 -0.894 -0.841) 1.830 20.262 ( -8.613 0.074 -2.225) 8.896 20.399 ( -1.725 -4.427 -4.065) 6.253 20.578 ( 3.854 3.755 -4.560) 7.053 20.687 ( 4.799 -0.079 -0.419) 4.818 21.652 ( -2.047 1.481 1.069) 2.743 21.713 ( 5.930 0.639 -3.185) 6.761 21.941 ( -3.102 0.818 -1.850) 3.703 22.118 ( 2.819 -1.471 1.217) 3.404 22.138 ( -0.496 -1.584 -2.255) 2.800 22.236 ( -1.127 -1.030 -1.391) 2.066 22.445 ( -3.306 3.825 -3.044) 5.901 22.732 ( -0.900 -3.765 9.789) 10.527 25.299 ( 2.900 1.081 -5.739) 6.521 25.373 ( -2.402 0.082 4.791) 5.360 25.660 ( -4.333 -3.270 0.300) 5.437 25.666 ( -2.938 -4.017 -1.335) 5.153 29.099 ( 0.620 -0.669 0.319) 0.966 29.122 ( 2.245 -1.599 0.367) 2.781 29.199 ( 0.720 1.786 -0.156) 1.932 29.220 ( 1.510 1.467 0.416) 2.146 29.532 ( -1.102 0.894 -0.718) 1.590 29.555 ( -0.784 0.236 0.160) 0.834 29.619 ( -1.021 0.751 -0.863) 1.533 29.657 ( -0.112 -0.351 0.804) 0.885 31.029 ( -2.410 0.151 -2.466) 3.451 31.077 ( 2.193 -1.102 -3.438) 4.224 31.144 ( -2.581 2.780 2.761) 4.692 31.337 ( 8.344 -2.476 5.767) 10.441 31.721 ( 0.885 -1.480 -3.306) 3.729 31.833 ( 0.753 -1.421 3.127) 3.517 32.006 ( -1.342 -0.607 -7.243) 7.391 32.124 ( -2.770 -1.495 -0.433) 3.177 32.313 ( 0.709 9.990 -4.898) 11.149 32.348 ( 0.208 5.376 -4.225) 6.841 32.466 ( 1.451 4.331 -3.906) 6.010 32.676 ( 1.332 -3.456 7.429) 8.301 32.859 ( -0.684 1.808 3.459) 3.962 32.881 ( 2.263 1.642 0.508) 2.841 33.118 ( 2.427 5.856 0.586) 6.366 33.158 ( 3.555 2.756 2.146) 4.984 33.512 ( -13.582 -4.179 -7.483) 16.060 33.749 ( -15.055 -7.920 10.951) 20.231 34.175 ( 12.345 -3.241 0.418) 12.770 34.322 ( 11.398 -8.414 5.569) 15.222 34.881 ( 1.945 11.141 -7.859) 13.772 34.964 ( -2.698 4.829 1.085) 5.637 35.406 ( -3.541 -3.985 5.513) 7.669 35.526 ( 4.252 -4.180 1.974) 6.281 106.332 ( -0.731 0.576 0.304) 0.979 106.346 ( 0.116 0.762 0.212) 0.800 106.386 ( -0.593 -0.357 0.063) 0.694 106.401 ( 0.385 -0.273 0.112) 0.485 108.399 ( 0.451 0.483 -0.638) 0.919 108.404 ( 0.076 0.208 0.320) 0.389 108.443 ( -0.191 0.325 -0.604) 0.712 108.478 ( 0.510 -0.396 1.060) 1.241 ======================= Grid point 148 (77/84) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 16.581 10.356 -16.193) 25.385 1.596 ( 19.486 11.687 -16.547) 28.108 2.030 ( 6.189 -2.205 -4.778) 8.124 2.294 ( 9.462 -1.218 -5.161) 10.846 2.364 ( -0.075 -3.240 -2.434) 4.053 2.491 ( 9.228 0.596 -5.719) 10.872 2.564 ( -0.339 3.788 -0.292) 3.814 2.604 ( -3.657 5.623 0.778) 6.753 2.767 ( 4.681 -2.699 -11.523) 12.727 2.825 ( -0.568 -5.944 -5.580) 8.172 2.984 ( 0.599 -5.450 -4.483) 7.082 3.097 ( -4.664 -4.836 -1.231) 6.830 3.175 ( -5.094 0.199 -0.445) 5.118 3.248 ( -2.277 -1.971 -8.675) 9.183 3.294 ( 0.922 -7.091 -2.468) 7.564 3.395 ( 0.186 -3.662 -4.703) 5.964 3.546 ( -5.091 1.921 -4.764) 7.232 3.590 ( -3.093 6.453 -8.718) 11.279 3.675 ( 0.633 1.797 -1.079) 2.189 3.782 ( -3.745 -0.077 -2.236) 4.363 3.852 ( -2.061 -5.251 -5.132) 7.626 3.896 ( -1.422 6.471 1.356) 6.763 3.953 ( 1.046 -0.177 -3.654) 3.805 4.079 ( 0.987 1.762 -5.323) 5.693 4.162 ( -1.216 2.240 8.055) 8.449 4.287 ( 1.873 -0.734 3.122) 3.714 4.350 ( -2.714 2.148 -1.764) 3.885 4.454 ( -3.476 -3.391 4.636) 6.714 4.498 ( -3.936 3.407 -6.312) 8.182 4.604 ( -0.276 4.326 -8.614) 9.644 4.708 ( 5.928 0.683 3.166) 6.755 4.738 ( 0.737 5.284 0.012) 5.335 4.828 ( -4.233 -4.280 -2.542) 6.534 4.875 ( 1.386 -2.246 2.881) 3.907 5.003 ( 2.161 -4.870 6.066) 8.073 5.015 ( 4.521 -1.794 -1.057) 4.977 5.102 ( 2.404 3.603 2.891) 5.208 5.199 ( 1.347 -4.011 -0.517) 4.263 5.287 ( 3.497 6.120 -1.630) 7.234 5.389 ( 1.700 -1.140 10.905) 11.095 5.414 ( 0.523 2.558 0.966) 2.784 5.507 ( -1.522 -3.407 2.190) 4.327 5.592 ( -4.716 0.599 -1.008) 4.859 5.730 ( 2.359 1.045 3.837) 4.624 5.758 ( -5.486 0.184 0.971) 5.575 5.789 ( -2.151 -0.852 5.787) 6.232 5.879 ( 1.659 1.793 9.055) 9.378 5.901 ( 6.731 0.799 2.163) 7.115 5.977 ( -5.102 -4.057 5.337) 8.425 6.052 ( -2.425 2.371 4.471) 5.612 6.138 ( 0.035 0.682 0.149) 0.699 6.229 ( -3.239 1.130 0.602) 3.483 6.305 ( -3.630 -4.802 -0.466) 6.038 6.367 ( 1.139 0.838 0.818) 1.633 6.409 ( -7.880 -0.871 1.897) 8.152 6.502 ( 1.848 -5.677 1.858) 6.252 6.644 ( -3.092 -2.469 4.035) 5.651 6.664 ( 4.271 -6.539 -0.605) 7.834 6.758 ( -1.885 2.606 -1.236) 3.446 6.822 ( -0.187 3.364 2.579) 4.243 6.866 ( 4.014 5.616 -0.331) 6.911 6.934 ( 1.873 3.493 2.445) 4.657 6.975 ( 1.221 2.125 -5.061) 5.623 7.071 ( 0.493 4.860 1.441) 5.093 7.460 ( 0.377 -1.570 3.014) 3.420 7.540 ( -5.075 -2.572 0.511) 5.713 7.693 ( -1.361 3.112 3.833) 5.121 7.771 ( 0.193 1.284 8.342) 8.442 7.984 ( -1.856 -1.739 -1.042) 2.749 8.088 ( -1.210 2.394 -1.497) 3.072 8.173 ( 2.871 -3.919 7.030) 8.545 8.312 ( 2.891 0.808 7.214) 7.813 9.264 ( -0.290 0.756 1.242) 1.483 9.309 ( 2.698 -0.435 -0.475) 2.774 9.551 ( 0.251 0.323 0.907) 0.995 9.578 ( 3.167 0.312 -1.876) 3.694 9.716 ( -0.373 1.414 -9.017) 9.135 9.805 ( -0.258 -0.610 -6.290) 6.325 9.922 ( -0.437 0.418 -4.426) 4.467 9.978 ( -0.054 -0.347 -2.633) 2.657 10.198 ( -3.152 0.336 -0.825) 3.275 10.268 ( -2.528 -0.237 -0.212) 2.548 10.518 ( -0.046 0.255 8.553) 8.557 10.618 ( -3.604 -1.668 -7.867) 8.812 10.772 ( 0.539 2.230 3.710) 4.362 10.868 ( 0.960 -2.241 9.952) 10.247 10.999 ( 1.444 -3.578 -0.165) 3.862 11.109 ( -4.202 -1.304 9.110) 10.117 11.600 ( 1.643 -0.448 -2.757) 3.241 11.698 ( -2.379 -3.005 4.562) 5.959 12.186 ( 0.221 -0.373 -4.915) 4.934 12.213 ( 1.240 -0.478 -4.643) 4.829 12.304 ( 1.684 1.318 -3.580) 4.170 12.365 ( 1.267 1.284 -2.557) 3.130 12.523 ( 0.518 -1.018 -2.494) 2.743 12.570 ( -3.630 -1.408 -5.059) 6.384 12.619 ( 1.125 0.865 1.902) 2.374 12.680 ( -0.692 -0.125 -2.674) 2.765 12.788 ( 3.225 -0.015 -1.371) 3.504 12.842 ( 1.860 0.352 1.817) 2.624 13.045 ( 1.293 0.031 0.283) 1.324 13.143 ( 0.113 0.883 0.391) 0.972 13.170 ( -0.658 -1.941 1.787) 2.719 13.214 ( 0.279 -0.858 -0.688) 1.134 13.404 ( -3.967 2.370 1.083) 4.747 13.488 ( -3.540 0.174 1.243) 3.756 13.547 ( -4.143 -0.893 2.289) 4.817 13.608 ( -3.880 -1.319 0.534) 4.133 13.788 ( 2.637 1.422 2.467) 3.881 13.819 ( 3.266 0.348 1.378) 3.562 13.875 ( 3.914 0.027 2.295) 4.537 13.953 ( 3.773 -1.617 0.871) 4.196 17.059 ( -1.926 -0.192 -0.637) 2.038 17.117 ( 0.272 1.196 0.338) 1.273 17.155 ( -0.306 -2.483 1.142) 2.750 17.210 ( 1.163 -0.685 0.979) 1.668 17.295 ( -0.055 2.751 0.715) 2.843 17.327 ( -0.749 0.201 -1.049) 1.305 17.355 ( -0.986 -0.056 -1.988) 2.220 17.395 ( 0.792 0.529 -0.806) 1.248 17.432 ( 3.983 -1.594 3.849) 5.764 17.485 ( 0.805 -0.452 -0.045) 0.924 17.662 ( 1.912 0.953 0.838) 2.295 17.730 ( 1.784 -0.385 -0.600) 1.921 17.801 ( -0.075 0.393 -0.834) 0.925 17.822 ( 0.786 -0.330 -1.353) 1.599 17.896 ( 1.127 0.500 -0.587) 1.365 17.943 ( 2.132 -0.692 -0.265) 2.257 18.389 ( -2.017 0.309 3.459) 4.016 18.413 ( 0.374 -0.065 1.638) 1.681 18.439 ( 0.952 0.890 1.423) 1.930 18.483 ( 2.118 -1.924 0.669) 2.939 18.665 ( -3.043 1.800 2.774) 4.494 18.725 ( 3.260 1.788 -3.637) 5.201 18.770 ( -2.525 -1.736 2.070) 3.698 18.819 ( 0.098 -0.692 -1.909) 2.033 20.161 ( -1.119 0.958 -1.157) 1.873 20.311 ( -2.831 -3.417 -3.023) 5.369 20.551 ( 3.069 3.474 -7.794) 9.068 20.714 ( 2.554 -1.242 -3.653) 4.627 21.642 ( -1.091 1.256 0.611) 1.772 21.743 ( 5.354 -0.917 -5.301) 7.590 21.886 ( -0.992 2.148 -2.461) 3.414 22.022 ( -3.959 0.026 -5.848) 7.062 22.168 ( -1.341 -2.448 -1.267) 3.065 22.237 ( 3.840 -3.378 3.332) 6.104 22.448 ( -0.167 4.792 5.321) 7.163 22.809 ( -4.185 -4.713 7.688) 9.941 25.278 ( 4.334 0.913 -5.244) 6.864 25.388 ( -2.682 -1.015 2.951) 4.115 25.568 ( -3.739 -3.044 -4.952) 6.911 25.597 ( -7.685 -1.567 2.370) 8.194 29.119 ( 1.539 -0.041 0.411) 1.594 29.161 ( 2.131 -1.210 0.492) 2.499 29.217 ( 1.662 1.042 0.383) 1.999 29.251 ( 2.015 0.982 0.417) 2.281 29.506 ( -1.423 0.789 -0.439) 1.685 29.535 ( -1.751 -0.134 -0.451) 1.813 29.592 ( -1.488 1.102 -0.599) 1.947 29.658 ( -0.826 -0.836 0.246) 1.201 30.979 ( -0.626 0.924 -1.863) 2.172 31.067 ( 1.992 -1.568 -2.550) 3.596 31.137 ( -2.719 2.875 1.437) 4.210 31.463 ( 1.428 -9.315 -1.400) 9.527 31.746 ( 4.670 1.271 -0.466) 4.862 31.881 ( 1.077 5.300 6.932) 8.792 31.913 ( 0.797 -2.918 -5.817) 6.557 32.082 ( 1.586 -0.706 -2.763) 3.263 32.260 ( -0.642 4.841 -5.250) 7.170 32.279 ( -1.577 4.129 -3.319) 5.528 32.445 ( 0.792 5.824 -2.135) 6.254 32.720 ( -2.073 -4.597 -0.084) 5.043 32.905 ( 0.828 1.443 2.611) 3.096 32.934 ( 3.360 -0.283 0.916) 3.494 33.170 ( -1.749 5.602 3.167) 6.669 33.241 ( 2.397 4.439 0.529) 5.072 33.312 ( -1.956 1.095 -0.359) 2.270 33.685 ( -15.059 -5.544 11.805) 19.922 34.261 ( 3.745 -5.129 -6.657) 9.200 34.394 ( 1.618 -10.063 -5.015) 11.359 34.819 ( -2.481 9.225 -4.050) 10.375 34.931 ( 0.694 3.866 -2.973) 4.926 35.584 ( 7.433 -3.996 15.673) 17.801 35.673 ( 6.884 -1.890 11.149) 13.239 106.327 ( -0.741 0.381 0.610) 1.032 106.346 ( -0.331 0.520 0.064) 0.620 106.380 ( -0.549 -0.056 0.291) 0.624 106.407 ( -0.010 -0.271 0.261) 0.376 108.399 ( 0.572 0.508 -0.568) 0.953 108.413 ( 0.502 -0.049 0.372) 0.626 108.439 ( 0.314 0.871 -0.087) 0.930 108.497 ( 0.297 -0.580 0.840) 1.063 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 16.766 5.838 -17.956) 25.251 1.678 ( 22.226 13.864 -11.535) 28.623 1.985 ( -1.319 -4.750 -8.495) 9.822 2.268 ( 8.097 -3.599 -6.125) 10.772 2.408 ( -7.586 2.831 0.773) 8.134 2.438 ( 3.713 -0.208 -10.267) 10.920 2.563 ( -3.150 -4.951 -2.795) 6.499 2.579 ( 3.109 3.740 0.336) 4.875 2.712 ( 0.439 -0.497 -2.132) 2.232 2.856 ( 8.360 -1.763 -1.960) 8.766 2.947 ( 3.012 3.263 -8.032) 9.178 2.988 ( 5.825 -5.254 -4.338) 8.965 3.078 ( -4.132 1.526 -2.074) 4.868 3.147 ( -3.360 -3.545 -3.930) 6.269 3.315 ( -1.627 -2.131 0.945) 2.843 3.374 ( -7.671 5.528 -7.354) 11.979 3.417 ( -1.431 -1.171 -3.301) 3.784 3.448 ( 0.521 0.290 6.944) 6.970 3.570 ( -8.924 -4.938 -1.874) 10.370 3.765 ( 1.049 4.154 -0.599) 4.326 3.835 ( -1.125 1.912 -3.957) 4.536 3.872 ( 5.219 0.477 -0.656) 5.281 3.963 ( 3.407 -4.272 -1.119) 5.577 4.111 ( 2.743 5.994 -0.488) 6.610 4.157 ( -2.457 4.991 0.504) 5.586 4.282 ( -2.458 2.844 0.692) 3.822 4.292 ( -5.404 2.999 3.405) 7.056 4.358 ( -2.471 -2.859 -6.823) 7.800 4.417 ( -3.991 -3.951 -0.397) 5.630 4.615 ( 7.556 2.263 -2.324) 8.223 4.710 ( -1.619 -2.418 -4.061) 4.997 4.768 ( 1.802 -0.543 0.255) 1.899 4.854 ( 0.778 -1.783 4.483) 4.887 4.924 ( 1.049 3.479 0.099) 3.635 5.049 ( 2.972 -2.539 -0.722) 3.975 5.083 ( 1.980 -8.171 1.588) 8.556 5.178 ( 4.584 0.775 -3.306) 5.705 5.209 ( 3.691 -0.575 3.099) 4.854 5.361 ( 3.803 7.139 0.745) 8.123 5.416 ( 0.124 2.984 0.438) 3.019 5.454 ( -2.989 -3.721 3.304) 5.805 5.534 ( 0.054 -0.595 -0.444) 0.745 5.560 ( -1.777 0.276 5.915) 6.183 5.671 ( -7.946 -3.865 3.206) 9.400 5.763 ( -3.719 -0.897 0.091) 3.826 5.833 ( 1.113 0.369 0.805) 1.423 5.885 ( -6.086 -2.410 -0.436) 6.561 5.941 ( -3.298 -1.225 2.626) 4.390 6.023 ( 3.511 -0.714 5.156) 6.279 6.108 ( -0.808 0.031 6.525) 6.575 6.164 ( 1.440 6.696 4.002) 7.933 6.213 ( -2.919 -1.450 1.944) 3.795 6.324 ( -1.692 4.695 3.403) 6.040 6.349 ( 1.925 -3.437 3.544) 5.299 6.475 ( 2.972 2.071 3.405) 4.971 6.552 ( -0.081 -5.171 3.391) 6.184 6.631 ( -4.126 1.611 1.038) 4.549 6.668 ( -1.128 -5.823 -0.264) 5.937 6.745 ( 1.916 -3.204 -2.508) 4.498 6.789 ( -2.116 2.921 -1.563) 3.931 6.902 ( 0.617 0.975 -3.393) 3.584 6.959 ( 1.534 5.157 0.989) 5.470 6.986 ( 0.555 3.504 2.893) 4.578 7.088 ( -0.975 5.172 0.086) 5.264 7.493 ( -1.724 -0.327 2.282) 2.878 7.546 ( 4.107 -2.671 4.829) 6.879 7.707 ( -3.311 2.027 2.815) 4.795 7.866 ( -1.774 -1.438 4.931) 5.435 7.935 ( -1.291 0.437 -0.440) 1.432 8.048 ( -0.209 1.968 -2.989) 3.585 8.318 ( 3.479 -5.248 8.662) 10.709 8.457 ( 0.922 -2.302 9.756) 10.066 9.281 ( 0.001 1.051 1.916) 2.186 9.331 ( 1.853 -0.285 -1.233) 2.244 9.546 ( 1.967 0.669 -7.586) 7.865 9.558 ( -0.649 0.478 -0.782) 1.123 9.686 ( 2.968 0.137 0.337) 2.990 9.730 ( 1.851 -1.375 -5.815) 6.255 9.846 ( -0.631 2.877 -6.264) 6.922 9.926 ( -1.674 -0.074 -3.429) 3.816 10.162 ( -1.735 -0.144 0.542) 1.824 10.212 ( 0.305 -0.870 -4.939) 5.024 10.496 ( -1.730 1.108 -2.507) 3.241 10.579 ( -1.882 -0.544 1.153) 2.273 10.876 ( 2.359 1.950 7.988) 8.554 10.975 ( 0.582 -0.811 3.407) 3.550 11.002 ( 0.233 -0.837 2.168) 2.336 11.152 ( -6.770 -3.407 7.777) 10.860 11.606 ( 3.443 -0.495 -1.350) 3.731 11.718 ( -4.293 -3.567 6.067) 8.244 12.131 ( 0.442 -0.591 -4.363) 4.425 12.167 ( -0.325 -0.798 -4.193) 4.280 12.267 ( 1.747 1.932 -5.063) 5.694 12.316 ( -1.470 2.115 -3.681) 4.493 12.456 ( -1.274 -1.947 -5.859) 6.304 12.487 ( -1.755 -2.298 -2.834) 4.049 12.640 ( 1.705 0.736 -0.997) 2.108 12.669 ( 0.152 0.895 1.219) 1.519 12.812 ( 0.880 1.160 1.208) 1.892 12.893 ( 1.893 0.454 0.654) 2.053 13.065 ( 1.367 0.113 -0.288) 1.402 13.137 ( -0.550 0.601 -0.631) 1.031 13.165 ( -0.721 -1.738 -1.215) 2.240 13.189 ( -1.549 -0.572 -1.251) 2.072 13.380 ( -1.994 1.532 1.826) 3.108 13.457 ( -3.085 -0.547 0.970) 3.280 13.521 ( -3.302 -0.622 2.047) 3.935 13.558 ( -3.247 -0.478 0.075) 3.283 13.858 ( 2.330 1.356 2.498) 3.675 13.879 ( 2.398 0.638 1.378) 2.838 13.967 ( 3.264 -0.694 3.310) 4.700 14.017 ( 3.218 -1.736 0.893) 3.764 17.037 ( 0.062 0.923 -0.287) 0.969 17.112 ( -0.971 1.219 -0.474) 1.629 17.188 ( 1.526 -1.497 2.136) 3.022 17.238 ( 0.492 -0.384 1.379) 1.514 17.291 ( -0.258 1.097 -0.595) 1.275 17.318 ( -1.402 0.072 -0.820) 1.625 17.335 ( 1.226 1.391 0.850) 2.040 17.463 ( 1.980 -0.530 1.283) 2.418 17.478 ( 3.035 0.957 2.363) 3.964 17.575 ( 4.478 -2.040 6.277) 7.976 17.697 ( 1.627 0.527 0.872) 1.920 17.748 ( 1.847 -0.640 -0.398) 1.995 17.790 ( 0.270 0.320 -1.130) 1.205 17.814 ( 0.399 -0.262 -1.178) 1.271 17.891 ( 0.048 1.162 -1.558) 1.944 17.942 ( 0.103 -0.136 -2.545) 2.550 18.402 ( -1.677 -0.291 2.991) 3.441 18.447 ( -1.146 -0.826 3.676) 3.938 18.465 ( 1.898 1.340 -0.135) 2.327 18.514 ( 1.036 -1.109 0.446) 1.582 18.657 ( -2.999 1.823 2.608) 4.372 18.711 ( 2.178 2.026 -4.612) 5.488 18.765 ( -1.519 -1.424 1.506) 2.570 18.786 ( -0.050 -0.113 -2.164) 2.167 20.191 ( 0.851 -0.114 2.998) 3.119 20.280 ( 1.623 -3.156 1.611) 3.897 20.467 ( 0.666 3.621 -8.699) 9.446 20.667 ( 0.280 -2.067 -6.474) 6.802 21.635 ( -1.329 0.903 1.011) 1.898 21.718 ( 3.031 -1.011 -7.502) 8.154 21.845 ( -0.531 1.102 -1.937) 2.291 21.909 ( -2.074 -0.352 -4.042) 4.556 22.186 ( 2.256 0.476 2.025) 3.069 22.306 ( -0.476 1.008 3.057) 3.254 22.549 ( 3.283 -2.297 6.172) 7.359 22.815 ( -5.999 -5.309 4.655) 9.265 25.289 ( 6.050 0.506 -4.400) 7.497 25.375 ( -1.588 -1.872 -0.096) 2.457 25.460 ( -2.920 0.082 -3.593) 4.631 25.514 ( -8.518 -0.819 2.550) 8.929 29.150 ( 1.898 0.674 0.456) 2.065 29.188 ( 1.180 0.116 0.137) 1.193 29.252 ( 2.043 -0.164 0.654) 2.152 29.281 ( 1.358 0.267 0.389) 1.438 29.482 ( -1.543 0.753 -0.051) 1.718 29.500 ( -1.785 0.213 -0.824) 1.978 29.567 ( -1.095 0.789 -0.072) 1.351 29.638 ( -1.571 -1.021 -0.692) 1.997 30.963 ( 1.149 1.116 -1.230) 2.019 31.061 ( -1.066 -1.093 -0.393) 1.576 31.114 ( 0.151 1.764 -0.748) 1.923 31.373 ( -4.723 -5.764 -5.640) 9.345 31.767 ( 1.340 1.480 0.167) 2.004 31.873 ( 0.709 -3.105 -1.260) 3.425 32.053 ( 2.509 3.426 1.168) 4.404 32.085 ( 4.115 3.036 -4.270) 6.663 32.192 ( 3.883 0.633 0.226) 3.941 32.242 ( -3.157 -0.726 2.233) 3.934 32.433 ( 0.075 4.569 -0.899) 4.657 32.598 ( -6.913 -0.140 -8.245) 10.761 32.953 ( 2.374 0.728 1.888) 3.119 32.989 ( 4.313 -2.079 -0.295) 4.797 33.108 ( -2.807 1.153 -0.028) 3.035 33.317 ( 3.776 7.639 3.917) 9.379 33.375 ( 0.375 -0.286 3.056) 3.092 33.619 ( -13.583 -1.565 8.683) 16.197 34.190 ( 5.480 -3.576 -9.708) 11.707 34.375 ( 4.787 -7.568 -3.553) 9.634 34.685 ( -5.564 7.731 -5.734) 11.118 34.877 ( -5.179 0.618 -1.532) 5.436 35.862 ( 8.771 -1.576 9.793) 13.240 35.983 ( 3.398 -4.505 18.270) 19.122 106.326 ( -0.607 0.244 0.708) 0.964 106.340 ( -0.355 0.285 -0.190) 0.493 106.379 ( -0.388 0.123 0.443) 0.602 106.404 ( -0.598 -0.288 -0.037) 0.665 108.402 ( 0.693 0.576 -0.351) 0.967 108.418 ( -0.017 0.323 -0.109) 0.341 108.456 ( 1.041 0.297 1.083) 1.531 108.506 ( -0.059 -0.683 0.309) 0.752 ======================= Grid point 150 (79/84) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 14.404 3.247 -7.712) 16.658 1.742 ( -6.353 3.077 -7.047) 9.974 1.955 ( 18.828 7.115 -2.913) 20.338 2.204 ( -18.437 7.894 1.676) 20.125 2.376 ( 10.331 -2.427 -4.852) 11.669 2.425 ( 1.528 -5.735 -1.723) 6.180 2.479 ( -0.050 -5.950 0.524) 5.973 2.576 ( -3.885 -0.707 -2.138) 4.491 2.719 ( 2.298 -0.064 2.316) 3.263 2.823 ( -3.271 -0.545 -5.612) 6.519 2.939 ( 1.248 -0.432 3.353) 3.603 3.003 ( 3.019 6.791 -1.262) 7.538 3.042 ( -2.110 -5.660 -2.468) 6.525 3.145 ( 2.411 -4.327 -7.522) 9.006 3.240 ( -0.203 4.041 0.291) 4.057 3.292 ( 0.790 -1.182 5.253) 5.442 3.333 ( -5.946 4.555 -4.708) 8.847 3.405 ( -5.983 -4.156 -1.268) 7.395 3.655 ( 8.036 -3.314 7.048) 11.191 3.786 ( 0.078 0.693 -3.751) 3.815 3.822 ( 7.460 2.822 0.277) 7.981 3.926 ( -1.972 1.733 1.494) 3.021 3.961 ( 2.918 4.683 -5.456) 7.760 4.005 ( -7.956 4.994 0.779) 9.426 4.244 ( 0.903 2.213 3.868) 4.547 4.260 ( -2.812 -0.116 2.535) 3.787 4.266 ( 2.477 -5.387 -5.079) 7.807 4.283 ( -1.998 3.346 0.615) 3.946 4.416 ( 0.740 -1.315 4.785) 5.017 4.530 ( -3.378 -4.096 -7.632) 9.297 4.774 ( 4.303 5.045 3.245) 7.382 4.791 ( 3.167 -0.188 -3.033) 4.389 4.838 ( -0.852 2.817 -0.181) 2.949 4.926 ( -5.739 4.173 -0.734) 7.134 5.070 ( 4.023 -5.185 2.040) 6.872 5.143 ( 0.912 -2.936 -3.122) 4.382 5.198 ( 3.718 -5.611 1.660) 6.933 5.257 ( -0.883 -4.023 0.392) 4.138 5.338 ( -1.952 2.167 0.458) 2.952 5.391 ( -2.543 1.775 -3.352) 4.567 5.497 ( 3.680 0.338 0.782) 3.778 5.574 ( -5.676 -2.243 2.916) 6.764 5.593 ( 5.312 -0.917 -0.658) 5.431 5.621 ( -5.247 0.170 4.349) 6.817 5.745 ( 2.965 -2.840 2.723) 4.926 5.813 ( -1.609 1.174 -0.793) 2.144 5.864 ( 0.992 -1.449 0.553) 1.841 5.923 ( -3.126 -0.998 -0.912) 3.406 6.131 ( 2.046 0.409 3.821) 4.354 6.154 ( -0.793 1.962 3.412) 4.015 6.195 ( -0.247 1.050 2.196) 2.447 6.245 ( -2.796 2.730 -1.513) 4.190 6.328 ( 3.526 -0.545 5.679) 6.707 6.460 ( 2.882 0.832 -0.711) 3.083 6.479 ( 0.679 0.844 -3.642) 3.800 6.547 ( -4.943 3.808 1.051) 6.328 6.603 ( -0.442 -5.557 2.651) 6.172 6.638 ( -2.637 -0.112 -0.275) 2.654 6.738 ( 1.790 -7.424 -0.855) 7.685 6.766 ( -1.049 -2.740 -1.122) 3.141 6.881 ( 1.422 3.398 0.128) 3.685 6.936 ( -3.697 3.451 -1.409) 5.250 7.034 ( 0.872 4.649 2.681) 5.437 7.067 ( -0.214 5.527 -1.257) 5.672 7.556 ( 4.263 0.294 2.939) 5.186 7.637 ( -2.405 -1.267 0.838) 2.845 7.706 ( 1.945 0.414 4.285) 4.724 7.812 ( -3.630 -1.447 -3.602) 5.315 7.968 ( -1.010 1.255 4.589) 4.863 8.008 ( 0.856 1.636 -3.915) 4.329 8.475 ( 3.915 -6.695 6.217) 9.940 8.543 ( -2.180 -5.997 3.398) 7.229 9.313 ( -0.100 1.220 2.809) 3.064 9.333 ( 1.011 0.783 -1.396) 1.893 9.485 ( 1.755 0.208 -4.427) 4.767 9.508 ( -1.668 -0.414 -3.391) 3.801 9.700 ( 0.917 1.278 0.924) 1.824 9.752 ( 0.238 2.792 -5.500) 6.172 9.779 ( 3.957 0.877 1.291) 4.253 9.856 ( -3.230 0.219 -2.037) 3.825 10.159 ( -1.417 -0.571 2.117) 2.610 10.172 ( 1.642 -0.717 -3.479) 3.914 10.484 ( 0.842 0.532 1.103) 1.486 10.533 ( -2.637 -0.586 -1.987) 3.353 10.997 ( 4.955 -0.174 1.363) 5.142 11.016 ( 0.499 -0.097 2.644) 2.692 11.037 ( -0.816 0.137 3.313) 3.415 11.112 ( -6.714 -2.016 1.263) 7.123 11.665 ( 6.212 -1.491 -0.572) 6.414 11.725 ( -5.910 -3.212 4.880) 8.310 12.085 ( 0.276 -0.404 -2.902) 2.943 12.098 ( -1.515 -0.581 -2.889) 3.313 12.245 ( 1.899 1.944 -2.095) 3.432 12.263 ( -1.440 2.468 -1.095) 3.060 12.396 ( 1.109 -1.765 -2.529) 3.277 12.421 ( -2.511 -1.894 -1.792) 3.620 12.663 ( 2.470 0.680 -0.661) 2.646 12.679 ( -1.252 0.457 1.113) 1.736 12.851 ( 1.148 2.030 2.470) 3.397 12.894 ( -0.585 1.753 -1.684) 2.501 13.083 ( 1.795 0.039 0.019) 1.795 13.117 ( -1.562 -0.200 -1.023) 1.878 13.136 ( 0.925 -1.030 -1.270) 1.879 13.154 ( -2.118 -1.219 -0.039) 2.444 13.393 ( 0.395 0.326 1.592) 1.672 13.424 ( -2.028 -0.586 -0.420) 2.153 13.512 ( -1.063 -0.327 1.267) 1.686 13.524 ( -1.340 -0.188 -0.360) 1.400 13.907 ( 1.027 1.300 1.191) 2.041 13.914 ( 0.762 1.051 0.407) 1.360 14.036 ( 1.113 -1.278 2.386) 2.927 14.054 ( 1.350 -1.625 -0.534) 2.178 17.051 ( 1.412 1.472 0.541) 2.110 17.083 ( -1.608 1.536 -0.873) 2.389 17.233 ( 1.324 -0.558 1.303) 1.939 17.253 ( -0.693 0.059 0.704) 0.990 17.283 ( 0.974 -0.887 -0.905) 1.598 17.296 ( -1.482 -1.016 0.340) 1.829 17.372 ( 1.943 1.900 1.423) 3.068 17.424 ( -1.848 0.917 -2.200) 3.016 17.641 ( 4.744 -1.119 6.810) 8.375 17.688 ( 1.452 -2.204 3.111) 4.079 17.727 ( 1.310 0.590 0.794) 1.642 17.768 ( 0.722 -0.521 -1.551) 1.789 17.779 ( 0.767 -0.465 -0.207) 0.920 17.802 ( -0.434 -0.255 -0.838) 0.978 17.862 ( -0.550 2.369 -1.320) 2.767 17.888 ( -1.638 1.415 -3.169) 3.838 18.424 ( -0.386 -0.848 2.691) 2.848 18.452 ( -1.159 -1.658 -0.155) 2.029 18.498 ( 1.731 1.580 0.671) 2.438 18.520 ( -0.342 0.924 -0.329) 1.039 18.653 ( -2.906 1.906 3.607) 5.009 18.674 ( 2.094 2.041 -4.993) 5.786 18.767 ( 1.512 -0.730 -1.233) 2.083 18.773 ( -1.500 -0.494 1.214) 1.992 20.236 ( -0.229 0.724 5.060) 5.116 20.316 ( 0.644 0.210 -6.215) 6.252 20.434 ( 2.065 -1.017 6.029) 6.454 20.563 ( -1.276 -2.633 -8.301) 8.802 21.635 ( -1.946 0.560 2.842) 3.489 21.661 ( 2.166 0.051 -5.928) 6.312 21.832 ( 0.219 -0.097 0.252) 0.348 21.853 ( -0.820 -0.466 -1.923) 2.142 22.254 ( 3.862 2.173 1.011) 4.545 22.305 ( -3.241 2.910 1.206) 4.520 22.672 ( 5.029 -5.734 3.297) 8.309 22.766 ( -6.034 -5.840 0.927) 8.448 25.329 ( 6.471 0.089 -3.493) 7.354 25.357 ( -0.857 -0.855 0.218) 1.230 25.401 ( -0.009 0.547 -2.003) 2.077 25.432 ( -7.830 -0.302 2.973) 8.381 29.180 ( 1.488 1.027 0.386) 1.849 29.196 ( -0.158 0.793 -0.126) 0.819 29.284 ( 1.477 -0.505 0.225) 1.577 29.295 ( -0.053 -0.287 0.199) 0.354 29.465 ( -1.135 0.927 0.578) 1.575 29.470 ( -0.448 0.865 -1.064) 1.443 29.568 ( 0.384 -0.038 1.058) 1.126 29.600 ( -1.579 -0.702 -1.415) 2.234 30.978 ( 2.824 1.073 -0.788) 3.122 31.019 ( -3.829 0.802 0.328) 3.926 31.145 ( 4.201 -1.130 0.456) 4.374 31.238 ( -5.415 -2.871 -3.351) 6.986 31.817 ( 3.228 0.936 2.532) 4.208 31.888 ( -1.099 -1.860 0.444) 2.206 31.984 ( -0.816 3.036 -1.676) 3.562 32.049 ( -0.114 1.692 -6.618) 6.832 32.243 ( 0.914 0.046 2.474) 2.638 32.306 ( -1.000 -1.129 -0.150) 1.516 32.407 ( 0.788 4.368 -0.441) 4.460 32.449 ( -1.364 3.518 -2.293) 4.416 33.013 ( 2.216 -1.973 1.707) 3.423 33.041 ( 2.074 -2.435 -1.361) 3.476 33.143 ( 5.324 -4.974 4.182) 8.401 33.306 ( -8.112 -5.899 -2.394) 10.312 33.439 ( 4.173 7.824 3.381) 9.490 33.533 ( -7.674 4.302 1.617) 8.945 34.223 ( 7.890 -0.024 -0.176) 7.892 34.356 ( -2.712 -1.184 -5.729) 6.448 34.621 ( 5.255 2.498 -0.256) 5.824 34.752 ( -9.545 -0.562 -1.143) 9.630 36.070 ( 8.114 -1.825 3.068) 8.865 36.140 ( -4.679 -3.800 7.443) 9.578 106.328 ( -0.312 0.217 0.606) 0.715 106.333 ( -0.057 0.232 -0.405) 0.470 106.382 ( 0.012 0.014 0.519) 0.520 106.392 ( -0.524 -0.165 -0.453) 0.712 108.408 ( 0.589 0.645 -0.112) 0.881 108.414 ( -0.320 0.615 -0.073) 0.697 108.484 ( 0.803 -0.379 1.024) 1.356 108.502 ( -0.432 -0.651 -0.384) 0.870 ======================= Grid point 155 (80/84) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.755 ( -1.008 4.980 -8.002) 9.479 1.755 ( 1.008 4.980 8.002) 9.479 1.972 ( -0.720 6.139 -9.241) 11.118 1.972 ( 0.720 6.139 9.241) 11.118 2.322 ( 0.960 -7.384 -3.277) 8.135 2.322 ( -0.960 -7.384 3.277) 8.135 2.592 ( 1.042 -8.160 -4.520) 9.386 2.592 ( -1.042 -8.160 4.520) 9.386 2.795 ( 1.616 4.587 -2.752) 5.588 2.795 ( -1.616 4.587 2.752) 5.588 3.100 ( 2.190 -1.526 -5.968) 6.537 3.100 ( -2.190 -1.526 5.968) 6.537 3.313 ( 0.741 0.048 -6.465) 6.507 3.313 ( -0.741 0.048 6.465) 6.507 3.643 ( -1.442 -4.200 -5.018) 6.701 3.643 ( 1.442 -4.200 5.018) 6.701 3.715 ( -0.370 1.664 -2.464) 2.996 3.715 ( 0.370 1.664 2.464) 2.996 3.813 ( -3.401 2.720 -0.952) 4.458 3.813 ( 3.401 2.720 0.952) 4.458 3.924 ( -0.930 -1.961 -2.937) 3.652 3.924 ( 0.930 -1.961 2.937) 3.652 4.024 ( 1.436 0.007 -2.661) 3.024 4.024 ( -1.436 0.007 2.661) 3.024 4.108 ( -2.757 -0.723 -2.631) 3.879 4.108 ( 2.757 -0.723 2.631) 3.879 4.379 ( -0.590 2.538 -3.064) 4.022 4.379 ( 0.590 2.538 3.064) 4.022 4.619 ( 2.562 0.308 -3.417) 4.282 4.619 ( -2.562 0.308 3.417) 4.282 4.794 ( -1.334 2.003 0.243) 2.419 4.794 ( 1.334 2.003 -0.243) 2.419 4.895 ( -1.942 3.352 -4.604) 6.018 4.895 ( 1.942 3.352 4.604) 6.018 4.985 ( -4.398 -5.778 -5.043) 8.841 4.985 ( 4.398 -5.778 5.043) 8.841 5.193 ( 0.627 1.126 -6.124) 6.258 5.193 ( -0.627 1.126 6.124) 6.258 5.240 ( -5.056 10.461 -6.232) 13.185 5.240 ( 5.056 10.461 6.232) 13.185 5.413 ( -2.438 -4.914 -8.087) 9.772 5.413 ( 2.438 -4.914 8.087) 9.772 5.571 ( -3.119 1.433 -6.524) 7.371 5.571 ( 3.119 1.433 6.524) 7.371 5.625 ( -5.440 -0.717 -3.377) 6.443 5.625 ( 5.440 -0.717 3.377) 6.443 5.810 ( -0.451 -1.761 -3.716) 4.137 5.810 ( 0.451 -1.761 3.716) 4.137 6.048 ( 1.708 3.359 -1.812) 4.182 6.048 ( -1.708 3.359 1.812) 4.182 6.173 ( -3.535 -9.764 -1.945) 10.565 6.173 ( 3.535 -9.764 1.945) 10.565 6.291 ( -3.089 0.376 0.138) 3.115 6.291 ( 3.089 0.376 -0.138) 3.115 6.426 ( -2.575 0.234 -0.493) 2.632 6.426 ( 2.575 0.234 0.493) 2.632 6.608 ( 0.460 -1.124 -0.971) 1.555 6.608 ( -0.460 -1.124 0.971) 1.555 6.791 ( -0.661 0.535 -0.852) 1.204 6.791 ( 0.661 0.535 0.852) 1.204 6.983 ( -0.375 3.046 -2.749) 4.120 6.983 ( 0.375 3.046 2.749) 4.120 7.065 ( 1.440 1.497 -2.405) 3.178 7.065 ( -1.440 1.497 2.405) 3.178 7.481 ( -1.235 -0.735 -1.047) 1.778 7.481 ( 1.235 -0.735 1.047) 1.778 7.692 ( -0.346 0.297 -0.353) 0.576 7.692 ( 0.346 0.297 0.353) 0.576 7.984 ( 0.751 0.241 -2.022) 2.170 7.984 ( -0.751 0.241 2.022) 2.170 8.185 ( -0.761 0.747 -0.567) 1.208 8.185 ( 0.761 0.747 0.567) 1.208 9.262 ( 0.735 0.194 -0.545) 0.936 9.262 ( -0.735 0.194 0.545) 0.936 9.551 ( 0.390 0.287 -0.882) 1.006 9.551 ( -0.390 0.287 0.882) 1.006 9.944 ( 1.078 0.371 -1.261) 1.699 9.944 ( -1.078 0.371 1.261) 1.699 10.008 ( 1.718 0.864 -2.070) 2.826 10.008 ( -1.718 0.864 2.070) 2.826 10.319 ( -1.172 1.713 -3.580) 4.138 10.319 ( 1.172 1.713 3.580) 4.138 10.383 ( -4.620 -4.283 -4.196) 7.569 10.383 ( 4.620 -4.283 4.196) 7.569 10.755 ( -0.136 0.018 -1.521) 1.527 10.755 ( 0.136 0.018 1.521) 1.527 10.981 ( -1.946 -1.624 -0.747) 2.643 10.981 ( 1.946 -1.624 0.747) 2.643 11.623 ( 0.307 -0.706 -0.971) 1.239 11.623 ( -0.307 -0.706 0.971) 1.239 12.244 ( 0.378 -0.176 -0.756) 0.863 12.244 ( -0.378 -0.176 0.756) 0.863 12.363 ( 0.894 0.941 -0.448) 1.373 12.363 ( -0.894 0.941 0.448) 1.373 12.553 ( 0.470 0.019 -0.876) 0.995 12.553 ( -0.470 0.019 0.876) 0.995 12.713 ( 0.230 0.372 -1.052) 1.139 12.713 ( -0.230 0.372 1.052) 1.139 12.785 ( -0.801 -0.745 -1.235) 1.650 12.785 ( 0.801 -0.745 1.235) 1.650 13.080 ( -0.415 -0.028 -2.003) 2.046 13.080 ( 0.415 -0.028 2.003) 2.046 13.129 ( -0.561 -0.782 -0.950) 1.353 13.129 ( 0.561 -0.782 0.950) 1.353 13.530 ( -0.777 1.223 -0.226) 1.467 13.530 ( 0.777 1.223 0.226) 1.467 13.580 ( -1.056 -0.983 -0.224) 1.460 13.580 ( 1.056 -0.983 0.224) 1.460 13.754 ( 0.162 1.373 -0.881) 1.640 13.754 ( -0.162 1.373 0.881) 1.640 13.823 ( -1.161 -1.230 -0.400) 1.738 13.823 ( 1.161 -1.230 0.400) 1.738 17.093 ( -1.457 0.374 0.397) 1.556 17.093 ( 1.457 0.374 -0.397) 1.556 17.114 ( 1.567 -1.795 -0.757) 2.500 17.114 ( -1.567 -1.795 0.757) 2.500 17.323 ( 0.222 0.708 -0.364) 0.827 17.323 ( -0.222 0.708 0.364) 0.827 17.426 ( -0.006 -0.028 -0.400) 0.401 17.426 ( 0.006 -0.028 0.400) 0.401 17.537 ( -2.710 0.881 -1.798) 3.369 17.537 ( 2.710 0.881 1.798) 3.369 17.610 ( -3.760 -1.214 -1.454) 4.210 17.610 ( 3.760 -1.214 1.454) 4.210 17.816 ( 0.168 -0.211 -0.362) 0.451 17.816 ( -0.168 -0.211 0.362) 0.451 17.870 ( 0.052 0.138 -0.228) 0.271 17.870 ( -0.052 0.138 0.228) 0.271 18.390 ( 1.900 1.159 -1.659) 2.775 18.390 ( -1.900 1.159 1.659) 2.775 18.409 ( 1.273 -0.716 -1.851) 2.357 18.409 ( -1.273 -0.716 1.851) 2.357 18.719 ( 2.426 1.204 -3.461) 4.394 18.719 ( -2.426 1.204 3.461) 4.394 18.787 ( 1.960 -0.972 -3.178) 3.858 18.787 ( -1.960 -0.972 3.178) 3.858 20.356 ( -1.544 -1.402 0.036) 2.086 20.356 ( 1.544 -1.402 -0.036) 2.086 20.642 ( -0.942 1.021 -0.720) 1.564 20.642 ( 0.942 1.021 0.720) 1.564 21.700 ( 1.204 0.947 -0.665) 1.670 21.700 ( -1.204 0.947 0.665) 1.670 21.997 ( -1.894 -0.819 -0.648) 2.163 21.997 ( 1.894 -0.819 0.648) 2.163 22.239 ( -0.694 0.986 -1.922) 2.269 22.239 ( 0.694 0.986 1.922) 2.269 22.558 ( -1.083 -1.215 -4.298) 4.596 22.558 ( 1.083 -1.215 4.298) 4.596 25.354 ( 1.096 0.709 -2.749) 3.044 25.354 ( -1.096 0.709 2.749) 3.044 25.625 ( 1.299 -2.445 -1.925) 3.372 25.625 ( -1.299 -2.445 1.925) 3.372 29.082 ( 0.018 -0.439 -0.128) 0.458 29.082 ( -0.018 -0.439 0.128) 0.458 29.225 ( -0.095 0.722 -0.171) 0.748 29.225 ( 0.095 0.722 0.171) 0.748 29.565 ( -0.143 0.465 -0.234) 0.540 29.565 ( 0.143 0.465 0.234) 0.540 29.644 ( -0.188 0.039 -0.361) 0.409 29.644 ( 0.188 0.039 0.361) 0.409 31.068 ( 0.933 -0.377 -0.392) 1.080 31.068 ( -0.933 -0.377 0.392) 1.080 31.209 ( -1.819 0.896 -0.831) 2.192 31.209 ( 1.819 0.896 0.831) 2.192 31.725 ( -0.657 -1.305 -1.472) 2.074 31.725 ( 0.657 -1.305 1.472) 2.074 32.117 ( -0.637 0.354 -1.794) 1.936 32.117 ( 0.637 0.354 1.794) 1.936 32.474 ( 2.644 2.641 -1.586) 4.060 32.474 ( -2.644 2.641 1.586) 4.060 32.542 ( 0.614 0.572 -3.464) 3.564 32.542 ( -0.614 0.572 3.464) 3.564 32.892 ( 1.129 1.468 -0.643) 1.960 32.892 ( -1.129 1.468 0.643) 1.960 33.251 ( -0.312 11.337 -1.811) 11.485 33.251 ( 0.312 11.337 1.811) 11.485 33.531 ( -0.093 -14.295 -6.248) 15.601 33.531 ( 0.093 -14.295 6.248) 15.601 34.062 ( -0.582 -0.383 -1.984) 2.103 34.062 ( 0.582 -0.383 1.984) 2.103 35.094 ( 2.794 6.684 -2.838) 7.781 35.094 ( -2.794 6.684 2.838) 7.781 35.346 ( -2.727 -5.615 0.394) 6.255 35.346 ( 2.727 -5.615 -0.394) 6.255 106.354 ( -0.315 0.634 -0.152) 0.724 106.354 ( 0.315 0.634 0.152) 0.724 106.386 ( -0.231 -0.432 -0.184) 0.523 106.386 ( 0.231 -0.432 0.184) 0.523 108.408 ( 0.207 0.251 -0.170) 0.367 108.408 ( -0.207 0.251 0.170) 0.367 108.455 ( -0.206 -0.107 -0.392) 0.456 108.455 ( 0.206 -0.107 0.392) 0.456 ======================= Grid point 157 (81/84) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 8.675 9.072 -10.835) 16.581 1.770 ( 6.287 0.635 -8.381) 10.496 2.022 ( 10.046 12.386 -2.741) 16.182 2.193 ( 5.876 2.732 12.072) 13.701 2.302 ( 1.891 -7.385 -5.042) 9.140 2.342 ( 8.125 -8.843 -4.029) 12.667 2.586 ( -5.094 -3.955 8.290) 10.503 2.657 ( 0.986 -8.062 3.239) 8.744 2.734 ( 2.336 4.835 -7.884) 9.539 2.779 ( 0.454 2.007 -5.525) 5.896 3.013 ( -0.579 -0.569 -7.716) 7.759 3.112 ( 1.269 -8.462 -4.140) 9.505 3.205 ( -0.156 7.123 -6.443) 9.605 3.310 ( -2.433 -2.494 -2.210) 4.126 3.455 ( -6.929 2.488 -11.741) 13.858 3.511 ( -2.866 0.765 -12.717) 13.059 3.627 ( -3.467 -3.679 -6.646) 8.350 3.654 ( -3.234 -7.344 -4.648) 9.274 3.758 ( -1.052 3.073 -1.916) 3.771 3.821 ( 2.722 -2.840 -3.626) 5.350 3.945 ( -2.832 2.871 -0.131) 4.035 3.962 ( -5.123 1.054 5.142) 7.334 4.021 ( 1.085 2.830 1.243) 3.276 4.096 ( 3.994 -4.039 2.365) 6.153 4.167 ( 2.367 4.107 3.742) 6.040 4.187 ( 6.203 2.907 -2.066) 7.155 4.339 ( -0.449 1.094 1.913) 2.249 4.380 ( -1.712 -3.191 -1.178) 3.808 4.650 ( -0.675 2.722 2.469) 3.737 4.660 ( 6.185 2.144 -1.891) 6.814 4.772 ( -1.797 -2.706 0.831) 3.353 4.812 ( 0.695 -1.035 -3.536) 3.749 4.820 ( -4.231 1.503 -1.495) 4.732 4.868 ( -4.260 -1.797 1.686) 4.922 4.938 ( -0.608 5.350 0.872) 5.454 5.059 ( 2.115 -7.039 1.945) 7.603 5.117 ( -2.471 8.760 2.260) 9.378 5.186 ( -3.874 6.563 -3.532) 8.400 5.250 ( 0.702 1.979 2.841) 3.533 5.294 ( -3.180 -3.966 0.659) 5.126 5.394 ( -4.916 0.292 -2.741) 5.636 5.426 ( 5.534 2.688 5.368) 8.165 5.545 ( -4.771 -5.645 8.252) 11.078 5.577 ( 5.908 -4.978 4.686) 9.036 5.748 ( 1.542 3.620 5.843) 7.044 5.780 ( 1.367 0.655 1.164) 1.911 5.823 ( 6.993 2.419 6.833) 10.072 5.869 ( -0.473 -2.951 6.057) 6.754 5.988 ( -3.663 2.958 -2.305) 5.242 6.056 ( 0.155 2.803 -1.044) 2.995 6.115 ( 0.527 -3.140 -0.487) 3.221 6.231 ( 1.304 -0.106 -2.212) 2.569 6.274 ( 0.999 -3.215 3.206) 4.649 6.330 ( -2.269 -4.025 2.434) 5.223 6.386 ( 3.702 -0.532 -3.130) 4.877 6.437 ( 2.082 -4.230 -1.731) 5.023 6.548 ( -8.517 -1.245 0.294) 8.613 6.565 ( -5.497 -3.593 -0.170) 6.569 6.818 ( -0.069 2.914 4.272) 5.172 6.845 ( 0.168 0.391 4.440) 4.460 6.936 ( 2.392 4.691 -4.581) 6.979 6.976 ( 2.590 0.503 -4.513) 5.227 7.081 ( -0.893 3.701 1.604) 4.131 7.099 ( -0.469 1.601 3.636) 4.001 7.451 ( -2.825 1.176 1.251) 3.305 7.500 ( -2.001 -3.625 2.377) 4.775 7.709 ( -0.272 1.491 3.380) 3.704 7.721 ( -1.320 0.726 4.960) 5.184 7.986 ( 1.231 0.865 -0.575) 1.611 8.019 ( 0.860 -2.231 2.564) 3.506 8.172 ( -1.155 3.058 1.056) 3.435 8.215 ( 0.940 -1.300 2.469) 2.945 9.266 ( 0.180 0.536 0.588) 0.815 9.273 ( 1.592 -0.274 -0.259) 1.636 9.549 ( 0.865 0.786 -0.538) 1.286 9.561 ( 0.809 -0.298 0.077) 0.865 9.877 ( -1.618 1.331 -6.892) 7.204 9.894 ( -0.787 -0.383 -6.684) 6.741 9.980 ( -1.220 1.190 -1.566) 2.314 10.000 ( 0.172 -0.603 -2.612) 2.686 10.267 ( -2.221 1.123 -1.433) 2.871 10.295 ( -3.207 -1.218 -0.184) 3.435 10.420 ( 1.845 3.112 7.777) 8.577 10.524 ( 4.754 -8.235 5.305) 10.888 10.741 ( 0.872 1.388 -0.746) 1.801 10.769 ( 0.287 -1.771 0.240) 1.810 10.965 ( -3.504 2.646 5.254) 6.847 11.025 ( -0.913 -3.626 3.951) 5.440 11.612 ( 0.267 0.162 -1.272) 1.309 11.631 ( -0.398 -1.759 1.072) 2.098 12.230 ( 1.386 0.107 -3.685) 3.939 12.238 ( 0.665 -0.587 -2.458) 2.613 12.348 ( -0.496 1.722 -0.411) 1.839 12.369 ( 1.111 -0.266 -0.789) 1.388 12.557 ( 3.368 1.777 -3.293) 5.034 12.584 ( 4.177 -0.675 -2.024) 4.690 12.663 ( -4.457 0.027 -1.049) 4.579 12.681 ( -2.820 -1.950 -0.419) 3.455 12.781 ( 1.356 1.681 -0.604) 2.242 12.811 ( 1.367 -1.310 -0.415) 1.939 13.050 ( 0.006 1.563 -0.549) 1.657 13.091 ( -0.235 -2.547 1.415) 2.923 13.151 ( 0.960 0.921 1.719) 2.174 13.172 ( 1.253 -1.248 1.974) 2.650 13.499 ( -3.484 2.200 0.398) 4.140 13.523 ( -2.529 -0.202 0.654) 2.621 13.564 ( -3.048 0.440 2.048) 3.698 13.594 ( -1.849 -2.228 1.977) 3.506 13.763 ( 2.638 1.304 -0.449) 2.977 13.774 ( 2.137 0.285 0.164) 2.162 13.827 ( 1.680 0.978 0.833) 2.115 13.860 ( 2.748 -2.172 0.717) 3.576 17.082 ( -1.495 0.513 0.901) 1.819 17.102 ( -1.041 -1.414 1.200) 2.126 17.121 ( 1.700 0.322 0.331) 1.761 17.145 ( 2.825 -1.896 0.294) 3.415 17.323 ( -0.250 0.977 0.482) 1.118 17.330 ( -0.119 0.244 1.170) 1.201 17.395 ( -1.636 0.183 -3.131) 3.537 17.399 ( -1.304 -0.153 -2.327) 2.672 17.472 ( -1.564 0.014 -1.253) 2.004 17.475 ( -3.319 -0.421 -1.994) 3.895 17.645 ( 3.142 2.077 1.121) 3.930 17.683 ( 3.097 -1.909 0.469) 3.668 17.814 ( 0.357 0.142 -0.583) 0.698 17.819 ( 0.545 -0.314 -0.503) 0.805 17.883 ( 1.458 0.389 0.468) 1.579 17.891 ( 1.878 -0.483 0.762) 2.083 18.390 ( -1.788 0.943 2.552) 3.255 18.401 ( -0.793 -0.235 0.795) 1.147 18.411 ( 2.363 0.867 0.026) 2.517 18.431 ( 1.310 -1.024 0.539) 1.748 18.702 ( -0.052 1.585 -0.984) 1.866 18.732 ( -0.628 -1.040 1.051) 1.606 18.771 ( 0.939 1.307 -1.685) 2.330 18.803 ( -0.063 -1.544 0.785) 1.733 20.275 ( -5.056 1.560 -2.784) 5.979 20.322 ( -2.314 -3.567 -3.522) 5.521 20.640 ( 2.955 2.819 -2.966) 5.047 20.677 ( 3.538 -1.187 -1.508) 4.025 21.686 ( -0.645 1.981 -0.232) 2.096 21.714 ( 2.435 -0.804 -1.840) 3.156 21.975 ( 0.214 2.978 -1.297) 3.256 22.045 ( 3.525 -4.369 0.098) 5.614 22.161 ( -2.703 2.076 -4.566) 5.697 22.203 ( -2.150 -2.320 -4.432) 5.446 22.534 ( -2.186 5.591 3.795) 7.102 22.641 ( -1.489 -5.774 7.703) 9.742 25.329 ( 1.792 2.035 -4.151) 4.958 25.364 ( -0.599 -1.383 0.503) 1.589 25.598 ( -1.913 -1.517 -1.495) 2.863 25.611 ( -4.217 -2.402 2.035) 5.263 29.092 ( 1.220 -0.048 0.350) 1.270 29.099 ( 1.775 -0.834 0.329) 1.989 29.228 ( 0.719 1.133 0.058) 1.343 29.237 ( 1.141 0.255 0.190) 1.185 29.550 ( -1.163 0.854 -0.530) 1.537 29.558 ( -0.986 -0.054 -0.329) 1.041 29.633 ( -0.821 0.730 -0.306) 1.140 29.647 ( -0.466 -0.717 0.257) 0.893 31.037 ( -0.825 0.739 -2.387) 2.632 31.055 ( 0.798 -1.166 -2.758) 3.099 31.206 ( -0.839 3.733 2.040) 4.336 31.276 ( 2.914 -3.793 2.587) 5.437 31.728 ( 3.231 1.789 -0.728) 3.764 31.776 ( 3.352 -3.330 1.598) 4.988 32.038 ( -3.093 2.737 -4.260) 5.934 32.087 ( -2.634 -2.442 -2.606) 4.438 32.421 ( 0.510 3.372 -5.795) 6.724 32.442 ( 1.945 2.033 -7.992) 8.473 32.560 ( 1.633 4.657 0.778) 4.996 32.619 ( 1.651 -2.548 4.210) 5.191 32.888 ( -1.691 1.485 2.246) 3.179 32.903 ( 0.058 0.258 1.021) 1.055 33.242 ( 0.201 6.768 1.775) 6.999 33.299 ( -0.434 12.787 4.465) 13.551 33.393 ( -7.705 -8.292 -1.758) 11.455 33.548 ( -8.710 -13.115 8.545) 17.914 34.141 ( 7.781 0.242 1.043) 7.854 34.192 ( 7.529 -5.184 2.524) 9.483 35.054 ( -1.859 5.222 -4.496) 7.137 35.057 ( -0.988 4.813 -3.315) 5.927 35.348 ( -0.031 -0.491 6.521) 6.539 35.420 ( 4.297 -6.562 4.171) 8.883 106.345 ( -0.734 0.788 0.109) 1.083 106.355 ( -0.412 -0.062 0.132) 0.437 106.383 ( -0.143 0.256 0.302) 0.421 106.393 ( 0.222 -0.591 0.350) 0.721 108.406 ( 0.012 0.229 -0.122) 0.260 108.408 ( 0.168 0.115 -0.157) 0.258 108.453 ( 0.178 0.735 0.048) 0.757 108.468 ( 0.411 -0.734 0.688) 1.087 ======================= Grid point 158 (82/84) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 13.363 9.775 -11.151) 19.961 1.798 ( 12.574 2.888 -9.133) 15.807 2.028 ( 8.359 5.752 -15.182) 18.261 2.202 ( 5.632 -9.046 -14.875) 18.298 2.373 ( 3.816 5.049 5.730) 8.537 2.477 ( 8.684 -3.482 -1.487) 9.473 2.576 ( -3.493 -0.244 0.421) 3.526 2.650 ( 0.677 -5.977 -8.055) 10.053 2.725 ( 5.914 2.779 0.214) 6.538 2.789 ( 5.713 3.992 0.400) 6.981 2.885 ( -5.637 -2.831 -4.771) 7.910 3.057 ( -3.735 -11.407 -1.354) 12.079 3.196 ( -0.286 1.745 1.638) 2.410 3.202 ( -4.120 4.101 -7.141) 9.208 3.233 ( 0.364 4.174 -8.600) 9.566 3.396 ( 1.072 3.497 -3.321) 4.940 3.498 ( 0.166 -6.752 -6.017) 9.045 3.597 ( -2.548 -7.239 0.017) 7.675 3.688 ( -3.322 0.477 -4.112) 5.308 3.726 ( -5.028 -4.162 -4.755) 8.076 3.829 ( -0.206 7.346 -9.606) 12.095 3.941 ( 0.403 -3.015 -6.703) 7.360 4.071 ( 2.185 6.723 -2.375) 7.457 4.171 ( -0.106 -2.340 1.158) 2.613 4.200 ( 2.650 7.778 1.675) 8.386 4.212 ( -1.729 3.166 5.784) 6.817 4.327 ( -2.955 -5.494 -2.701) 6.798 4.373 ( -2.471 -6.550 3.168) 7.684 4.652 ( -1.518 7.779 -5.251) 9.508 4.686 ( 1.879 3.646 -3.066) 5.121 4.709 ( 3.280 0.077 -7.407) 8.101 4.770 ( -0.591 -1.296 0.534) 1.521 4.785 ( -1.139 0.446 0.694) 1.406 4.853 ( -2.541 -5.756 4.644) 7.820 4.961 ( 1.853 8.042 0.083) 8.253 5.048 ( 1.896 1.754 -4.181) 4.915 5.096 ( -1.392 -3.344 0.667) 3.684 5.173 ( -0.947 -1.471 1.767) 2.486 5.292 ( 0.507 -3.078 6.767) 7.452 5.376 ( 1.979 -5.897 8.852) 10.819 5.383 ( -0.346 3.566 3.525) 5.026 5.471 ( -1.230 -4.170 -0.920) 4.444 5.604 ( 1.095 3.995 4.453) 6.082 5.680 ( 1.056 -3.603 2.047) 4.277 5.824 ( -5.949 4.754 2.634) 8.058 5.834 ( -3.689 3.518 6.004) 7.876 5.873 ( -0.359 -1.060 6.588) 6.682 5.896 ( -4.679 -3.208 3.492) 6.662 5.978 ( -0.105 4.881 2.227) 5.366 6.093 ( 3.197 -3.742 5.657) 7.498 6.150 ( -1.749 3.267 -3.261) 4.936 6.216 ( 0.646 -1.107 -0.954) 1.599 6.281 ( -5.626 1.206 3.818) 6.905 6.354 ( 1.353 -3.685 4.202) 5.750 6.406 ( 4.607 0.568 0.804) 4.712 6.442 ( -3.804 3.651 1.571) 5.502 6.528 ( 2.789 -6.725 2.795) 7.798 6.539 ( 6.906 -6.904 -0.381) 9.773 6.827 ( -4.957 2.946 -1.596) 5.983 6.857 ( -1.449 -0.119 1.126) 1.839 6.949 ( 4.571 2.835 -2.524) 5.942 6.970 ( 4.063 0.572 -2.301) 4.704 7.079 ( -3.202 6.558 2.916) 7.859 7.134 ( -1.844 0.955 4.149) 4.639 7.445 ( -1.594 0.509 3.065) 3.492 7.485 ( -4.078 -3.277 2.527) 5.810 7.747 ( -1.388 2.665 3.765) 4.817 7.782 ( -1.598 -0.677 6.825) 7.042 7.982 ( -0.382 1.958 -1.027) 2.244 8.048 ( -0.067 -4.589 0.655) 4.636 8.200 ( 0.048 4.792 4.842) 6.813 8.284 ( 0.952 -3.604 6.000) 7.063 9.280 ( 0.710 0.953 0.652) 1.355 9.297 ( 1.850 -0.811 -0.021) 2.020 9.564 ( 1.338 0.923 0.133) 1.630 9.578 ( 2.158 -0.422 -0.942) 2.393 9.749 ( -1.012 1.994 -8.395) 8.688 9.784 ( -1.154 -1.688 -7.490) 7.764 9.939 ( -0.200 1.396 -3.004) 3.318 9.965 ( -0.136 -1.118 -2.754) 2.975 10.213 ( -1.383 1.466 -2.762) 3.419 10.248 ( -1.541 -1.896 -2.766) 3.690 10.536 ( 0.007 1.781 5.612) 5.888 10.578 ( -0.291 -2.502 -1.524) 2.944 10.798 ( 1.834 0.658 4.821) 5.200 10.820 ( 2.649 -2.205 7.679) 8.417 10.990 ( -2.100 2.636 3.588) 4.923 11.058 ( -4.300 -3.855 6.870) 8.975 11.603 ( -0.044 1.044 -0.285) 1.083 11.640 ( -1.472 -2.875 2.324) 3.979 12.186 ( 0.757 0.369 -5.186) 5.254 12.198 ( 0.841 -0.912 -4.818) 4.975 12.342 ( 1.149 2.354 -1.900) 3.236 12.373 ( 1.735 -0.682 -2.182) 2.870 12.514 ( -1.134 0.518 -5.266) 5.412 12.539 ( -2.603 -1.780 -5.733) 6.543 12.641 ( 1.348 1.451 0.742) 2.115 12.667 ( 1.517 -1.245 -1.554) 2.503 12.801 ( 1.483 1.381 0.912) 2.223 12.830 ( 0.744 -1.472 2.016) 2.605 13.067 ( 0.959 2.192 1.028) 2.604 13.115 ( 0.257 -2.826 1.547) 3.232 13.172 ( 0.010 1.217 0.152) 1.227 13.195 ( 0.133 -1.209 -0.142) 1.225 13.451 ( -3.995 2.401 0.611) 4.701 13.484 ( -3.685 -1.001 0.430) 3.843 13.543 ( -3.943 0.851 2.423) 4.705 13.574 ( -3.923 -2.109 1.756) 4.787 13.815 ( 3.698 1.164 1.270) 4.080 13.824 ( 3.623 0.073 1.123) 3.794 13.883 ( 3.025 1.075 2.185) 3.884 13.916 ( 3.134 -2.236 1.431) 4.107 17.068 ( -1.447 1.176 0.404) 1.908 17.100 ( -1.080 -2.176 0.947) 2.607 17.155 ( 2.143 1.760 0.629) 2.844 17.189 ( 2.050 -1.629 0.818) 2.743 17.328 ( -0.469 0.539 -0.607) 0.938 17.331 ( -0.675 0.177 0.163) 0.716 17.360 ( 0.643 0.956 -0.781) 1.392 17.383 ( 2.616 -1.371 1.463) 3.296 17.436 ( 0.692 1.587 0.436) 1.785 17.467 ( 0.464 -1.489 0.023) 1.560 17.685 ( 1.708 1.541 0.329) 2.324 17.714 ( 1.559 -1.352 -0.257) 2.080 17.809 ( 0.365 0.466 -0.902) 1.079 17.816 ( 0.623 -0.314 -1.115) 1.315 17.909 ( 1.512 0.901 -0.123) 1.764 17.927 ( 1.920 -0.964 0.003) 2.149 18.397 ( -2.054 0.604 2.702) 3.447 18.409 ( -1.327 -0.495 2.678) 3.029 18.452 ( 2.304 0.500 0.780) 2.484 18.460 ( 2.409 -0.570 0.224) 2.485 18.693 ( -0.344 1.598 -0.029) 1.635 18.730 ( -0.481 -2.320 0.222) 2.380 18.767 ( 0.764 2.314 -1.277) 2.751 18.801 ( -0.279 -1.343 -0.806) 1.591 20.190 ( -1.312 2.288 -2.060) 3.347 20.244 ( -1.682 -3.495 -2.948) 4.872 20.620 ( 1.967 3.683 -6.010) 7.318 20.679 ( 1.996 -2.586 -4.630) 5.667 21.674 ( -0.151 2.138 -0.884) 2.319 21.714 ( 1.857 -2.084 -2.944) 4.057 21.943 ( 0.023 3.737 -4.859) 6.129 22.005 ( -2.464 -2.342 -6.844) 7.641 22.140 ( 1.794 0.046 1.095) 2.102 22.172 ( 3.552 -3.084 1.919) 5.080 22.560 ( -3.633 7.067 5.643) 9.746 22.695 ( -4.363 -7.253 6.773) 10.840 25.305 ( 3.169 2.067 -4.633) 5.982 25.351 ( 0.559 -2.727 -2.140) 3.511 25.539 ( -4.315 0.201 -0.461) 4.344 25.563 ( -6.267 -1.914 2.088) 6.878 29.122 ( 2.247 0.427 0.523) 2.346 29.136 ( 2.662 -1.126 0.524) 2.938 29.244 ( 1.110 1.331 0.239) 1.750 29.258 ( 1.444 -0.204 0.229) 1.477 29.523 ( -1.663 0.866 -0.366) 1.910 29.533 ( -1.709 -0.196 -0.464) 1.782 29.612 ( -1.357 1.168 -0.499) 1.859 29.636 ( -1.084 -1.366 -0.172) 1.752 31.002 ( 0.180 1.551 -2.080) 2.601 31.034 ( 1.143 -1.872 -2.359) 3.221 31.208 ( -1.610 4.868 0.403) 5.143 31.315 ( 0.166 -6.834 -0.833) 6.887 31.777 ( 3.605 2.122 -1.017) 4.305 31.827 ( 2.107 -3.373 -1.441) 4.230 31.992 ( 1.774 4.065 1.959) 4.848 32.050 ( 1.846 -2.412 0.002) 3.038 32.326 ( -0.332 2.520 -9.141) 9.488 32.342 ( -0.959 1.337 -8.270) 8.432 32.566 ( -1.689 6.157 0.046) 6.384 32.650 ( -1.527 -3.430 -0.072) 3.755 32.906 ( 0.409 -0.122 1.919) 1.966 32.919 ( 0.471 -1.203 1.147) 1.727 33.280 ( -4.770 4.248 3.961) 7.516 33.315 ( -2.206 0.429 4.676) 5.188 33.375 ( 1.662 8.597 3.900) 9.586 33.547 ( -7.742 -9.010 9.477) 15.197 34.191 ( 2.096 -1.274 -4.684) 5.287 34.237 ( 2.200 -6.205 -4.277) 7.850 34.949 ( -3.878 4.730 -5.358) 8.132 34.985 ( -1.949 0.962 -4.972) 5.426 35.551 ( 8.160 0.993 14.435) 16.612 35.609 ( 7.866 -4.325 12.079) 15.050 106.337 ( -0.755 0.655 0.342) 1.057 106.348 ( -0.686 -0.375 0.095) 0.788 106.386 ( -0.336 0.647 0.479) 0.873 106.399 ( -0.193 -0.627 0.391) 0.764 108.407 ( 0.344 0.348 -0.139) 0.509 108.411 ( 0.393 -0.167 0.142) 0.449 108.459 ( 0.312 1.272 0.279) 1.339 108.481 ( 0.273 -1.061 0.609) 1.253 ======================= Grid point 159 (83/84) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 10.020 9.566 -14.433) 20.006 1.854 ( 6.862 -6.148 -8.366) 12.445 1.973 ( 15.830 12.365 -13.169) 24.019 2.166 ( 12.969 -7.608 -8.375) 17.211 2.428 ( 0.601 1.005 -4.042) 4.208 2.444 ( -1.214 -0.705 -8.464) 8.579 2.510 ( -3.272 1.587 -3.311) 4.918 2.608 ( 1.369 -5.183 0.588) 5.393 2.707 ( -7.255 4.233 -4.621) 9.586 2.808 ( 1.555 -2.949 -1.176) 3.535 2.893 ( 5.326 -2.379 -1.850) 6.119 2.968 ( -4.647 -6.769 2.273) 8.519 3.132 ( 1.211 4.038 -0.551) 4.251 3.153 ( -2.684 2.824 2.358) 4.554 3.278 ( 0.362 2.837 -3.013) 4.154 3.383 ( -5.009 -3.516 -3.669) 7.135 3.408 ( -1.503 4.407 2.722) 5.393 3.515 ( -1.111 3.288 -5.491) 6.496 3.584 ( -1.121 0.929 -3.408) 3.706 3.752 ( 3.665 -3.371 -3.504) 6.088 3.770 ( 9.177 -5.646 1.799) 10.924 3.842 ( 0.003 -2.326 -5.796) 6.245 4.052 ( 3.474 8.269 -4.524) 10.046 4.170 ( -0.788 -0.236 -0.020) 0.823 4.215 ( -1.284 -3.735 -1.449) 4.206 4.261 ( -0.017 5.206 2.736) 5.882 4.274 ( -3.909 -1.474 2.536) 4.887 4.364 ( -3.568 -2.086 3.145) 5.194 4.486 ( -4.126 8.013 -6.485) 11.104 4.580 ( -1.220 -4.037 -11.495) 12.244 4.724 ( 3.624 3.393 -0.753) 5.021 4.808 ( 0.693 4.420 3.097) 5.442 4.820 ( -1.142 -3.908 3.478) 5.355 4.900 ( 3.923 -5.322 0.649) 6.643 5.024 ( -0.055 2.472 1.694) 2.997 5.037 ( 5.328 3.167 -1.985) 6.509 5.107 ( 1.552 -5.577 -1.336) 5.941 5.164 ( -0.854 -7.810 0.641) 7.882 5.392 ( 0.877 1.705 7.103) 7.357 5.436 ( -0.291 0.681 2.002) 2.134 5.457 ( 4.629 0.674 2.266) 5.197 5.510 ( -0.104 -4.414 5.124) 6.764 5.593 ( -5.607 4.932 -1.916) 7.709 5.671 ( -3.363 -0.990 0.242) 3.514 5.758 ( -7.103 4.180 1.543) 8.385 5.825 ( 0.864 -1.071 1.281) 1.880 5.874 ( -5.640 0.885 2.663) 6.300 5.911 ( -3.637 -2.288 1.297) 4.489 6.025 ( 1.751 1.461 3.621) 4.279 6.089 ( -3.768 -3.493 5.756) 7.715 6.182 ( -0.666 0.891 3.845) 4.003 6.253 ( 2.985 -5.643 3.553) 7.306 6.304 ( 1.363 6.625 4.389) 8.063 6.405 ( -1.465 -1.224 5.579) 5.897 6.449 ( -0.544 0.964 2.373) 2.618 6.526 ( 2.774 -0.995 -1.222) 3.190 6.566 ( 4.703 -0.627 0.156) 4.747 6.628 ( 1.976 -3.280 -0.567) 3.871 6.746 ( -1.931 3.486 -1.855) 4.396 6.811 ( -1.962 -2.116 -3.247) 4.344 6.961 ( 1.099 4.157 -2.048) 4.762 7.012 ( 2.078 -0.847 -0.137) 2.248 7.071 ( -3.215 6.251 3.811) 7.996 7.139 ( -3.594 -0.338 2.522) 4.403 7.484 ( 0.190 -0.198 3.601) 3.612 7.500 ( 2.956 -1.920 3.656) 5.078 7.755 ( -2.866 3.110 1.929) 4.648 7.817 ( -2.529 -3.377 2.133) 4.728 7.975 ( -0.049 3.648 1.465) 3.931 8.047 ( 0.228 -2.990 -0.662) 3.071 8.283 ( 0.137 2.666 7.227) 7.705 8.376 ( -0.777 -5.881 7.032) 9.200 9.302 ( 0.747 1.110 1.201) 1.798 9.320 ( 1.469 -0.828 0.005) 1.687 9.561 ( 0.820 0.673 -5.828) 5.924 9.566 ( -0.273 0.161 -2.940) 2.957 9.692 ( 2.426 0.606 -1.268) 2.803 9.708 ( 2.562 -1.055 -3.352) 4.349 9.893 ( -0.545 2.041 -3.803) 4.350 9.919 ( -1.105 -0.807 -3.209) 3.489 10.167 ( -0.356 0.779 -2.151) 2.316 10.189 ( 0.396 -1.443 -4.340) 4.591 10.525 ( -1.705 1.969 -1.538) 3.025 10.560 ( -1.798 -1.575 -0.449) 2.432 10.916 ( 1.153 2.145 8.506) 8.848 10.957 ( 0.284 -2.152 8.232) 8.513 11.002 ( -0.215 2.536 1.395) 2.902 11.074 ( -4.100 -4.588 4.695) 7.740 11.610 ( 0.506 1.152 1.185) 1.728 11.651 ( -2.192 -3.220 3.646) 5.336 12.130 ( 0.362 0.426 -4.580) 4.614 12.145 ( -0.038 -1.167 -4.461) 4.611 12.318 ( 1.636 3.021 -4.706) 5.827 12.350 ( 0.800 0.656 -3.846) 3.983 12.419 ( -2.296 -1.044 -4.931) 5.538 12.442 ( -3.313 -2.483 -2.459) 4.815 12.659 ( 1.934 1.141 -1.054) 2.480 12.675 ( 1.210 -0.364 -0.422) 1.332 12.843 ( 1.426 2.176 2.370) 3.520 12.882 ( 1.744 -1.655 2.391) 3.391 13.083 ( 0.518 1.849 -0.165) 1.927 13.124 ( -0.107 -2.233 -0.429) 2.276 13.154 ( -1.308 0.871 -1.227) 1.994 13.173 ( -1.666 -1.053 -1.307) 2.365 13.412 ( -2.416 1.778 0.657) 3.071 13.441 ( -2.706 -1.224 0.117) 2.972 13.521 ( -3.186 0.680 2.026) 3.836 13.541 ( -3.419 -1.261 1.325) 3.877 13.886 ( 3.041 1.292 1.840) 3.782 13.891 ( 2.889 0.545 1.662) 3.377 13.957 ( 2.599 0.002 2.635) 3.701 13.979 ( 2.726 -2.114 1.495) 3.760 17.064 ( 0.023 1.846 0.621) 1.948 17.101 ( -0.469 -1.961 0.725) 2.143 17.194 ( 2.073 1.565 0.776) 2.710 17.222 ( 1.375 -1.265 0.718) 2.001 17.303 ( -0.915 0.412 -1.160) 1.534 17.311 ( -1.581 -0.516 -0.824) 1.856 17.384 ( 0.827 3.235 1.149) 3.531 17.437 ( 0.805 -2.257 0.717) 2.501 17.502 ( 4.288 1.556 4.206) 6.204 17.535 ( 4.738 -2.048 5.248) 7.361 17.711 ( 1.551 0.980 0.357) 1.869 17.731 ( 1.596 -1.110 -0.192) 1.954 17.799 ( 0.173 0.587 -1.308) 1.444 17.808 ( 0.311 -0.375 -1.113) 1.215 17.915 ( 0.366 1.299 -1.125) 1.757 17.934 ( 0.328 -0.730 -1.449) 1.655 18.405 ( -1.637 0.617 2.549) 3.091 18.424 ( -1.749 -1.348 2.714) 3.499 18.490 ( 2.388 1.075 0.217) 2.628 18.503 ( 2.106 -0.432 0.772) 2.284 18.690 ( -0.920 1.980 0.984) 2.394 18.730 ( -0.830 -2.207 1.251) 2.669 18.752 ( 0.633 1.997 -2.542) 3.294 18.778 ( 0.018 -0.854 -2.025) 2.198 20.196 ( 1.491 0.863 1.811) 2.500 20.226 ( 1.755 -2.440 1.010) 3.170 20.541 ( -0.266 4.205 -7.771) 8.839 20.614 ( -0.248 -3.585 -7.104) 7.961 21.659 ( -0.410 1.616 -0.779) 1.840 21.691 ( 1.046 -1.762 -3.698) 4.228 21.871 ( -0.790 1.621 -4.088) 4.468 21.897 ( -1.627 -1.033 -4.529) 4.922 22.214 ( 4.763 2.730 2.523) 6.041 22.279 ( 5.020 -3.616 3.180) 6.956 22.570 ( -3.759 4.880 4.247) 7.482 22.692 ( -6.090 -7.465 4.331) 10.562 25.304 ( 4.905 1.231 -4.162) 6.550 25.335 ( 2.574 -2.084 -3.374) 4.728 25.471 ( -5.389 1.045 0.669) 5.530 25.494 ( -7.246 -1.267 2.159) 7.666 29.164 ( 2.513 0.837 0.491) 2.694 29.180 ( 2.493 -0.862 0.323) 2.657 29.263 ( 0.959 1.039 0.391) 1.467 29.279 ( 0.899 -0.550 0.222) 1.077 29.497 ( -1.603 0.741 0.058) 1.766 29.504 ( -1.560 0.043 -0.265) 1.583 29.585 ( -1.320 1.242 -0.545) 1.892 29.613 ( -1.399 -1.600 -0.725) 2.246 30.991 ( 1.323 1.841 -1.325) 2.626 31.028 ( 1.224 -2.125 -1.256) 2.755 31.171 ( -2.373 4.226 -1.250) 5.005 31.263 ( -2.995 -5.713 -3.172) 7.189 31.793 ( 1.688 1.433 -0.464) 2.262 31.824 ( 1.557 -2.084 -0.822) 2.729 32.113 ( 4.961 2.840 2.439) 6.215 32.134 ( 5.771 1.315 2.452) 6.406 32.195 ( 0.613 0.173 -7.789) 7.815 32.217 ( -2.894 -1.697 -6.017) 6.889 32.528 ( -3.806 4.735 0.641) 6.109 32.585 ( -4.627 -1.556 -2.147) 5.333 32.939 ( 1.277 -0.600 1.481) 2.045 32.954 ( 2.119 -1.829 0.979) 2.966 33.198 ( -7.687 6.976 -0.698) 10.403 33.314 ( -6.252 -4.846 1.306) 8.018 33.471 ( 2.000 6.917 5.680) 9.171 33.572 ( -4.040 -3.900 6.608) 8.672 34.160 ( 6.376 1.445 -5.373) 8.462 34.242 ( 7.098 -6.605 -3.474) 10.300 34.807 ( -6.687 5.230 -4.791) 9.748 34.871 ( -6.489 -1.738 -3.469) 7.560 35.849 ( 7.969 0.772 11.825) 14.281 35.897 ( 6.157 -4.175 13.802) 15.680 106.333 ( -0.544 0.455 0.441) 0.835 106.341 ( -0.507 -0.251 0.074) 0.571 106.385 ( -0.477 0.569 0.325) 0.811 106.396 ( -0.571 -0.575 0.095) 0.816 108.413 ( 0.507 0.563 0.083) 0.763 108.420 ( 0.418 -0.186 0.196) 0.498 108.468 ( 0.327 1.011 0.430) 1.146 108.489 ( -0.006 -1.114 0.254) 1.142 ======================= Grid point 160 (84/84) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 7.448 5.817 -5.967) 11.177 1.753 ( -3.634 -2.134 -5.482) 6.914 2.147 ( 21.614 11.619 -6.584) 25.407 2.302 ( 7.249 -3.593 -4.570) 9.292 2.334 ( -2.400 0.592 2.775) 3.716 2.359 ( -0.671 -1.809 -2.166) 2.901 2.415 ( -4.981 3.325 -0.952) 6.064 2.532 ( -8.865 -4.290 -3.656) 10.506 2.662 ( 1.771 -3.724 2.200) 4.674 2.729 ( -3.284 -8.518 -3.176) 9.665 2.955 ( 3.728 1.912 1.699) 4.522 3.004 ( 3.420 -1.074 0.901) 3.697 3.055 ( -5.439 3.396 -2.798) 6.996 3.139 ( -9.939 -1.413 -2.921) 10.455 3.224 ( 4.530 2.117 2.629) 5.649 3.284 ( -3.280 -1.503 2.140) 4.195 3.428 ( -1.014 2.170 -1.859) 3.032 3.441 ( -0.912 3.256 -4.025) 5.257 3.641 ( 4.932 4.537 3.979) 7.794 3.732 ( -0.550 -3.855 -3.081) 4.965 3.854 ( 5.798 0.095 -0.614) 5.832 3.895 ( 1.228 -5.237 0.889) 5.452 4.076 ( 7.840 7.186 -3.810) 11.297 4.143 ( -4.544 5.671 0.972) 7.332 4.178 ( 2.263 -2.382 -4.110) 5.262 4.207 ( -3.216 -1.551 -0.668) 3.632 4.324 ( -0.083 4.281 5.195) 6.732 4.383 ( -0.455 -0.748 4.134) 4.225 4.399 ( -4.225 3.190 -0.738) 5.345 4.443 ( -0.337 -4.414 -6.661) 7.998 4.761 ( 2.677 -1.560 -0.258) 3.109 4.789 ( -5.750 -3.436 3.245) 7.443 4.902 ( 5.215 3.975 2.577) 7.045 4.969 ( 2.021 -2.556 -1.116) 3.445 5.009 ( 4.284 2.894 -2.430) 5.713 5.075 ( -1.603 -3.944 -3.539) 5.536 5.099 ( 0.919 -2.410 1.932) 3.223 5.141 ( -2.333 -6.504 -0.836) 6.960 5.438 ( 0.522 5.104 1.152) 5.259 5.462 ( -3.313 5.671 1.529) 6.744 5.518 ( 2.285 0.182 -0.867) 2.450 5.528 ( -2.753 -2.161 2.843) 4.509 5.583 ( 3.673 0.498 0.864) 3.806 5.627 ( -3.432 -1.699 1.976) 4.309 5.706 ( -1.032 1.292 2.115) 2.684 5.787 ( -3.718 -4.325 -3.285) 6.582 5.862 ( 0.043 1.111 1.579) 1.932 5.887 ( -0.699 -1.883 -0.623) 2.103 6.115 ( 2.798 -0.582 3.884) 4.822 6.138 ( -0.758 -2.698 5.586) 6.249 6.236 ( 1.206 2.948 2.104) 3.817 6.276 ( -2.306 -0.348 -1.127) 2.590 6.391 ( 3.083 5.348 2.908) 6.823 6.450 ( 1.464 -0.132 2.671) 3.049 6.472 ( -1.878 -1.874 -2.596) 3.712 6.502 ( -0.109 -4.079 1.434) 4.325 6.603 ( -1.241 1.302 0.510) 1.869 6.633 ( 3.610 -2.819 0.978) 4.684 6.677 ( -3.018 2.828 -4.131) 5.846 6.726 ( -4.129 -2.130 -3.221) 5.654 6.965 ( 2.301 4.707 -0.223) 5.244 7.001 ( -1.720 1.876 -0.829) 2.676 7.093 ( -0.003 2.147 2.509) 3.302 7.121 ( -1.927 0.170 0.566) 2.015 7.566 ( 3.921 1.004 3.098) 5.097 7.599 ( 2.764 -2.399 2.125) 4.232 7.729 ( -1.745 2.017 0.887) 2.811 7.773 ( -3.120 -2.553 -1.878) 4.447 8.008 ( 0.134 2.715 2.668) 3.809 8.036 ( 0.193 0.449 -1.668) 1.738 8.374 ( 1.358 -2.347 4.648) 5.381 8.419 ( -2.210 -6.149 2.288) 6.923 9.333 ( 0.485 0.788 1.896) 2.110 9.341 ( 0.846 -0.029 0.417) 0.943 9.491 ( 0.301 0.397 -4.232) 4.261 9.499 ( -1.045 -0.505 -3.734) 3.910 9.733 ( 2.490 1.915 2.062) 3.758 9.760 ( 3.647 -0.865 0.439) 3.774 9.827 ( -1.394 2.621 -2.941) 4.179 9.855 ( -2.332 -0.559 -2.735) 3.638 10.151 ( -0.168 -0.088 0.065) 0.201 10.158 ( 0.874 -0.719 -2.113) 2.397 10.498 ( -0.288 1.002 -0.054) 1.044 10.518 ( -1.650 -1.032 -1.296) 2.338 11.006 ( 1.374 1.065 2.259) 2.850 11.023 ( -1.745 0.646 2.962) 3.498 11.029 ( 0.495 -0.498 3.071) 3.150 11.064 ( -2.094 -2.824 0.428) 3.541 11.648 ( 2.233 -0.035 1.074) 2.478 11.669 ( -2.049 -2.315 2.932) 4.260 12.081 ( -0.091 0.059 -2.587) 2.590 12.087 ( -0.907 -0.517 -2.587) 2.790 12.293 ( 2.605 3.007 -2.937) 4.945 12.315 ( -1.891 2.738 -0.587) 3.379 12.353 ( 1.216 -2.499 -2.854) 3.983 12.376 ( -3.134 -2.877 -0.604) 4.297 12.676 ( 1.394 0.643 -0.320) 1.568 12.683 ( -0.040 -0.094 0.196) 0.221 12.894 ( 1.521 2.320 1.910) 3.368 12.918 ( 0.314 0.156 0.230) 0.419 13.089 ( 1.186 0.779 -0.145) 1.427 13.110 ( -0.205 -0.885 -0.960) 1.322 13.120 ( -0.900 -0.367 -0.881) 1.312 13.127 ( -2.405 -1.260 -0.643) 2.790 13.402 ( -0.308 0.656 0.587) 0.933 13.414 ( -1.093 -0.562 -0.234) 1.251 13.509 ( -1.028 0.111 0.851) 1.339 13.516 ( -1.640 -0.561 0.430) 1.786 13.935 ( 1.259 1.357 0.743) 1.995 13.937 ( 0.962 1.110 0.834) 1.688 14.011 ( 0.914 -1.050 1.632) 2.145 14.019 ( 1.175 -1.769 0.154) 2.129 17.081 ( 0.852 1.507 0.772) 1.895 17.099 ( -0.673 -0.175 -0.065) 0.698 17.233 ( 2.031 0.555 0.653) 2.205 17.247 ( 1.032 -0.736 0.486) 1.358 17.273 ( -1.261 -0.170 -0.965) 1.596 17.278 ( -1.810 -0.711 -0.372) 1.980 17.411 ( 0.995 2.039 0.981) 2.471 17.434 ( -0.619 -0.217 -0.619) 0.902 17.626 ( 2.811 -0.060 4.168) 5.027 17.645 ( 1.688 -2.001 2.689) 3.753 17.742 ( 1.857 0.894 0.814) 2.216 17.757 ( 1.810 -0.755 0.245) 1.977 17.782 ( -0.329 0.655 -0.932) 1.186 17.795 ( -0.564 -0.587 -0.897) 1.212 17.897 ( -0.276 1.280 -1.070) 1.691 17.906 ( -0.871 0.326 -1.636) 1.882 18.417 ( -0.558 0.055 1.617) 1.712 18.427 ( -0.841 -0.997 0.561) 1.420 18.521 ( 1.398 0.823 0.193) 1.633 18.528 ( 0.500 0.021 0.170) 0.529 18.696 ( -1.243 2.537 2.421) 3.720 18.718 ( 0.481 2.024 -2.738) 3.439 18.744 ( -0.763 -1.530 1.673) 2.392 18.758 ( 0.883 -1.260 -2.238) 2.715 20.259 ( 1.653 1.825 4.557) 5.179 20.299 ( 2.068 -2.069 2.093) 3.597 20.443 ( -0.610 2.267 -3.499) 4.214 20.502 ( -1.721 -3.681 -7.352) 8.400 21.648 ( -0.750 0.752 0.620) 1.230 21.659 ( 0.781 -0.387 -2.805) 2.937 21.833 ( -0.110 0.308 -0.846) 0.908 21.843 ( -0.533 -0.631 -1.777) 1.959 22.312 ( 4.913 3.758 1.133) 6.288 22.353 ( -0.114 0.750 1.442) 1.629 22.583 ( 1.056 -1.718 1.820) 2.716 22.642 ( -5.731 -6.529 1.224) 8.773 25.333 ( 5.152 0.331 -2.866) 5.904 25.342 ( 2.938 -0.691 -1.856) 3.544 25.412 ( -3.703 0.627 0.719) 3.824 25.423 ( -6.181 -0.557 2.144) 6.566 29.199 ( 1.531 0.854 0.276) 1.774 29.207 ( 0.784 0.120 -0.017) 0.794 29.279 ( 0.696 0.103 0.243) 0.744 29.286 ( -0.120 -0.562 0.087) 0.582 29.483 ( -0.906 0.757 0.491) 1.279 29.485 ( -0.423 0.502 -0.408) 0.773 29.570 ( -0.293 0.377 0.202) 0.518 29.584 ( -0.983 -0.987 -0.919) 1.669 31.004 ( 2.135 1.554 -0.566) 2.701 31.026 ( -0.741 -0.493 -0.224) 0.918 31.138 ( 0.399 0.919 -0.420) 1.087 31.179 ( -3.444 -3.121 -1.928) 5.032 31.836 ( 2.574 1.075 1.943) 3.400 31.858 ( 1.134 -1.371 1.623) 2.408 32.040 ( -2.025 2.618 -4.453) 5.548 32.067 ( -2.415 -0.156 -6.564) 6.996 32.256 ( 5.045 1.375 2.055) 5.618 32.284 ( 3.713 -1.415 1.562) 4.270 32.484 ( -3.493 3.115 1.188) 4.829 32.501 ( -3.138 1.343 -1.194) 3.616 32.979 ( 1.812 -0.952 0.960) 2.261 32.993 ( 1.189 -2.222 0.645) 2.601 33.113 ( -1.458 1.766 0.183) 2.297 33.191 ( -7.409 -5.991 -2.886) 9.956 33.553 ( 1.865 4.251 2.567) 5.304 33.586 ( -2.178 0.820 1.912) 3.012 34.246 ( 8.110 2.686 0.546) 8.561 34.309 ( 4.042 -3.568 -2.092) 5.783 34.679 ( -2.752 3.339 -1.730) 4.660 34.730 ( -7.555 -1.967 -1.873) 8.028 36.045 ( 4.563 -0.324 4.177) 6.195 36.070 ( 0.063 -3.023 5.600) 6.364 106.333 ( -0.200 0.256 0.342) 0.471 106.336 ( -0.165 0.009 -0.091) 0.188 106.383 ( -0.164 0.182 0.233) 0.338 106.388 ( -0.385 -0.274 -0.196) 0.512 108.421 ( 0.357 0.628 0.167) 0.741 108.425 ( 0.038 0.306 -0.027) 0.309 108.479 ( 0.343 0.004 0.449) 0.565 108.488 ( -0.240 -0.804 -0.174) 0.857 =================== 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 3/51840 10.0 656.359 436.252 434.186 0.000 -128.638 0.000 3/51840 20.0 73.742 49.913 53.724 0.000 -5.655 0.000 3/51840 30.0 26.279 17.165 19.566 0.000 -1.775 0.000 3/51840 40.0 13.905 9.072 10.604 0.000 -0.889 0.000 3/51840 50.0 8.975 5.908 7.001 0.000 -0.546 0.000 3/51840 60.0 6.505 4.327 5.170 0.000 -0.378 0.000 3/51840 70.0 5.071 3.407 4.092 0.000 -0.283 0.000 3/51840 80.0 4.148 2.811 3.389 0.000 -0.224 0.000 3/51840 90.0 3.510 2.395 2.897 0.000 -0.184 0.000 3/51840 100.0 3.044 2.088 2.534 0.000 -0.156 0.000 3/51840 110.0 2.689 1.853 2.255 0.000 -0.135 0.000 3/51840 120.0 2.410 1.667 2.034 0.000 -0.119 0.000 3/51840 130.0 2.184 1.515 1.855 0.000 -0.107 0.000 3/51840 140.0 1.998 1.389 1.705 0.000 -0.097 0.000 3/51840 150.0 1.843 1.283 1.580 0.000 -0.088 0.000 3/51840 160.0 1.710 1.192 1.472 0.000 -0.081 0.000 3/51840 170.0 1.596 1.114 1.379 0.000 -0.075 0.000 3/51840 180.0 1.497 1.046 1.297 0.000 -0.070 0.000 3/51840 190.0 1.410 0.985 1.225 0.000 -0.065 0.000 3/51840 200.0 1.334 0.932 1.162 0.000 -0.061 0.000 3/51840 210.0 1.265 0.884 1.105 0.000 -0.058 0.000 3/51840 220.0 1.204 0.842 1.053 0.000 -0.055 0.000 3/51840 230.0 1.149 0.803 1.007 0.000 -0.052 0.000 3/51840 240.0 1.099 0.768 0.965 0.000 -0.049 0.000 3/51840 250.0 1.054 0.736 0.927 0.000 -0.047 0.000 3/51840 260.0 1.012 0.707 0.892 0.000 -0.044 0.000 3/51840 270.0 0.974 0.680 0.860 0.000 -0.042 0.000 3/51840 280.0 0.939 0.656 0.830 0.000 -0.040 0.000 3/51840 290.0 0.907 0.633 0.803 0.000 -0.039 0.000 3/51840 300.0 0.878 0.612 0.777 0.000 -0.037 0.000 3/51840 310.0 0.850 0.593 0.754 0.000 -0.035 0.000 3/51840 320.0 0.824 0.575 0.732 0.000 -0.034 0.000 3/51840 330.0 0.800 0.558 0.711 0.000 -0.032 0.000 3/51840 340.0 0.778 0.542 0.692 0.000 -0.031 0.000 3/51840 350.0 0.757 0.527 0.674 0.000 -0.030 0.000 3/51840 360.0 0.737 0.513 0.657 0.000 -0.029 0.000 3/51840 370.0 0.718 0.500 0.641 0.000 -0.028 0.000 3/51840 380.0 0.701 0.487 0.625 0.000 -0.027 0.000 3/51840 390.0 0.684 0.476 0.611 0.000 -0.026 0.000 3/51840 400.0 0.669 0.465 0.597 0.000 -0.025 0.000 3/51840 410.0 0.654 0.454 0.584 0.000 -0.024 0.000 3/51840 420.0 0.639 0.444 0.572 0.000 -0.023 0.000 3/51840 430.0 0.626 0.434 0.560 0.000 -0.022 0.000 3/51840 440.0 0.613 0.425 0.549 0.000 -0.022 0.000 3/51840 450.0 0.600 0.416 0.538 0.000 -0.021 0.000 3/51840 460.0 0.589 0.408 0.528 0.000 -0.020 0.000 3/51840 470.0 0.577 0.400 0.518 0.000 -0.019 0.000 3/51840 480.0 0.567 0.392 0.508 0.000 -0.019 0.000 3/51840 490.0 0.556 0.385 0.499 0.000 -0.018 0.000 3/51840 500.0 0.546 0.378 0.491 0.000 -0.018 0.000 3/51840 510.0 0.536 0.371 0.482 0.000 -0.017 0.000 3/51840 520.0 0.527 0.365 0.474 0.000 -0.017 0.000 3/51840 530.0 0.518 0.358 0.466 0.000 -0.016 0.000 3/51840 540.0 0.510 0.352 0.459 0.000 -0.016 0.000 3/51840 550.0 0.501 0.347 0.451 0.000 -0.015 0.000 3/51840 560.0 0.493 0.341 0.444 0.000 -0.015 0.000 3/51840 570.0 0.485 0.335 0.437 0.000 -0.015 0.000 3/51840 580.0 0.478 0.330 0.431 0.000 -0.014 0.000 3/51840 590.0 0.471 0.325 0.424 0.000 -0.014 0.000 3/51840 600.0 0.464 0.320 0.418 0.000 -0.013 0.000 3/51840 610.0 0.457 0.315 0.412 0.000 -0.013 0.000 3/51840 620.0 0.450 0.311 0.406 0.000 -0.013 0.000 3/51840 630.0 0.444 0.306 0.400 0.000 -0.012 0.000 3/51840 640.0 0.437 0.302 0.395 0.000 -0.012 0.000 3/51840 650.0 0.431 0.297 0.389 0.000 -0.012 0.000 3/51840 660.0 0.425 0.293 0.384 0.000 -0.012 0.000 3/51840 670.0 0.420 0.289 0.379 0.000 -0.011 0.000 3/51840 680.0 0.414 0.285 0.374 0.000 -0.011 0.000 3/51840 690.0 0.409 0.282 0.369 0.000 -0.011 0.000 3/51840 700.0 0.403 0.278 0.365 0.000 -0.011 0.000 3/51840 710.0 0.398 0.274 0.360 0.000 -0.010 0.000 3/51840 720.0 0.393 0.271 0.355 0.000 -0.010 0.000 3/51840 730.0 0.388 0.267 0.351 0.000 -0.010 0.000 3/51840 740.0 0.383 0.264 0.347 0.000 -0.010 0.000 3/51840 750.0 0.379 0.261 0.343 0.000 -0.010 0.000 3/51840 760.0 0.374 0.258 0.339 0.000 -0.009 0.000 3/51840 770.0 0.370 0.254 0.335 0.000 -0.009 0.000 3/51840 780.0 0.365 0.251 0.331 0.000 -0.009 0.000 3/51840 790.0 0.361 0.249 0.327 0.000 -0.009 0.000 3/51840 800.0 0.357 0.246 0.323 0.000 -0.009 0.000 3/51840 810.0 0.353 0.243 0.320 0.000 -0.008 0.000 3/51840 820.0 0.349 0.240 0.316 0.000 -0.008 0.000 3/51840 830.0 0.345 0.237 0.313 0.000 -0.008 0.000 3/51840 840.0 0.341 0.235 0.309 0.000 -0.008 0.000 3/51840 850.0 0.338 0.232 0.306 0.000 -0.008 0.000 3/51840 860.0 0.334 0.230 0.303 0.000 -0.008 0.000 3/51840 870.0 0.331 0.227 0.299 0.000 -0.008 0.000 3/51840 880.0 0.327 0.225 0.296 0.000 -0.008 0.000 3/51840 890.0 0.324 0.222 0.293 0.000 -0.007 0.000 3/51840 900.0 0.320 0.220 0.290 0.000 -0.007 0.000 3/51840 910.0 0.317 0.218 0.287 0.000 -0.007 0.000 3/51840 920.0 0.314 0.216 0.284 0.000 -0.007 0.000 3/51840 930.0 0.311 0.213 0.282 0.000 -0.007 0.000 3/51840 940.0 0.308 0.211 0.279 0.000 -0.007 0.000 3/51840 950.0 0.305 0.209 0.276 0.000 -0.007 0.000 3/51840 960.0 0.302 0.207 0.274 0.000 -0.007 0.000 3/51840 970.0 0.299 0.205 0.271 0.000 -0.007 0.000 3/51840 980.0 0.296 0.203 0.268 0.000 -0.006 0.000 3/51840 990.0 0.293 0.201 0.266 0.000 -0.006 0.000 3/51840 1000.0 0.290 0.199 0.263 0.000 -0.006 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m956.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:27:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|