----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:06:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.697639999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.237278430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.543576910000001 Atomic positions (fractional): *1 O 0.50000000000000 0.49217010581163 0.25000000000000 15.999 2 O 0.00000000000000 0.00782989418837 0.75000000000000 15.999 3 O 0.50000000000000 0.50782989418837 0.75000000000000 15.999 4 O 0.00000000000000 0.99217010581163 0.25000000000000 15.999 *5 O 0.68188261216144 0.05679128752080 0.27667413322510 15.999 6 O 0.31811738783855 0.05679128752080 0.22332586677490 15.999 7 O 0.18188261216144 0.44320871247920 0.72332586677490 15.999 8 O 0.81811738783856 0.44320871247920 0.77667413322510 15.999 9 O 0.31811738783855 0.94320871247920 0.72332586677490 15.999 10 O 0.68188261216144 0.94320871247920 0.77667413322510 15.999 11 O 0.81811738783856 0.55679128752080 0.27667413322510 15.999 12 O 0.18188261216144 0.55679128752080 0.22332586677490 15.999 *13 O 0.23482785925039 0.06536453518089 0.43237291859876 15.999 14 O 0.76517214074961 0.06536453518089 0.06762708140124 15.999 *15 O 0.49051529630674 0.74074381945515 0.57246342514698 15.999 16 O 0.73482785925039 0.43463546481911 0.56762708140124 15.999 17 O 0.76517214074961 0.93463546481911 0.56762708140124 15.999 18 O 0.23482785925039 0.93463546481911 0.93237291859876 15.999 19 O 0.26517214074961 0.56536453518089 0.43237291859876 15.999 20 O 0.73482785925039 0.56536453518089 0.06762708140124 15.999 21 O 0.50948470369326 0.25925618054485 0.42753657485302 15.999 22 O 0.49051529630674 0.25925618054485 0.07246342514698 15.999 23 O 0.00948470369326 0.24074381945515 0.57246342514698 15.999 24 O 0.99051529630674 0.24074381945515 0.92753657485302 15.999 *25 O 0.83370718750659 0.79894535838328 0.91466915610739 15.999 26 O 0.16629281249341 0.79894535838328 0.58533084389261 15.999 27 O 0.33370718750659 0.70105464161672 0.08533084389261 15.999 28 O 0.66629281249341 0.70105464161672 0.41466915610739 15.999 29 O 0.16629281249341 0.20105464161672 0.08533084389261 15.999 30 O 0.83370718750659 0.20105464161672 0.41466915610739 15.999 31 O 0.66629281249341 0.29894535838328 0.91466915610739 15.999 32 O 0.33370718750659 0.29894535838328 0.58533084389261 15.999 33 O 0.00948470369326 0.75925618054485 0.07246342514698 15.999 34 O 0.99051529630674 0.75925618054485 0.42753657485302 15.999 35 O 0.50948470369326 0.74074381945515 0.92753657485302 15.999 36 O 0.26517214074961 0.43463546481911 0.93237291859876 15.999 *37 Na 0.43749324332944 0.85859942527843 0.34606734645321 22.990 38 Na 0.56250675667056 0.85859942527843 0.15393265354679 22.990 39 Na 0.93749324332944 0.64140057472157 0.65393265354679 22.990 40 Na 0.06250675667056 0.64140057472157 0.84606734645321 22.990 41 Na 0.56250675667056 0.14140057472157 0.65393265354679 22.990 42 Na 0.43749324332944 0.14140057472157 0.84606734645321 22.990 43 Na 0.06250675667056 0.35859942527843 0.34606734645321 22.990 44 Na 0.93749324332944 0.35859942527843 0.15393265354679 22.990 *45 Si 0.34272536471274 0.30098280034107 0.47375522467286 28.085 46 Si 0.65727463528726 0.30098280034107 0.02624477532714 28.085 47 Si 0.84272536471274 0.19901719965893 0.52624477532714 28.085 48 Si 0.15727463528726 0.19901719965893 0.97375522467286 28.085 49 Si 0.65727463528726 0.69901719965893 0.52624477532714 28.085 50 Si 0.34272536471274 0.69901719965893 0.97375522467286 28.085 51 Si 0.15727463528726 0.80098280034107 0.47375522467286 28.085 52 Si 0.84272536471274 0.80098280034107 0.02624477532714 28.085 *53 Ti 0.65189753225095 0.36914578489365 0.33050718461390 47.867 54 Ti 0.34810246774905 0.36914578489365 0.16949281538610 47.867 55 Ti 0.15189753225095 0.13085421510635 0.66949281538610 47.867 56 Ti 0.84810246774905 0.13085421510635 0.83050718461390 47.867 57 Ti 0.34810246774905 0.63085421510635 0.66949281538610 47.867 58 Ti 0.65189753225095 0.63085421510635 0.83050718461390 47.867 59 Ti 0.84810246774905 0.86914578489365 0.33050718461390 47.867 60 Ti 0.15189753225095 0.86914578489365 0.16949281538610 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.697639999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.237278430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.543576910000001 Atomic positions (fractional): *1 O 0.50000000000000 0.49217010581163 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.00782989418837 0.75000000000000 15.999 > 2 3 O 0.50000000000000 0.50782989418837 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.99217010581163 0.25000000000000 15.999 > 4 *5 O 0.68188261216144 0.05679128752080 0.27667413322510 15.999 > 5 6 O 0.31811738783855 0.05679128752080 0.22332586677490 15.999 > 6 7 O 0.18188261216144 0.44320871247920 0.72332586677490 15.999 > 7 8 O 0.81811738783856 0.44320871247920 0.77667413322510 15.999 > 8 9 O 0.31811738783855 0.94320871247920 0.72332586677490 15.999 > 9 10 O 0.68188261216144 0.94320871247920 0.77667413322510 15.999 > 10 11 O 0.81811738783856 0.55679128752080 0.27667413322510 15.999 > 11 12 O 0.18188261216144 0.55679128752080 0.22332586677490 15.999 > 12 *13 O 0.23482785925039 0.06536453518089 0.43237291859876 15.999 > 13 14 O 0.76517214074961 0.06536453518089 0.06762708140124 15.999 > 14 *15 O 0.49051529630674 0.74074381945515 0.57246342514698 15.999 > 15 16 O 0.73482785925039 0.43463546481911 0.56762708140124 15.999 > 16 17 O 0.76517214074961 0.93463546481911 0.56762708140124 15.999 > 17 18 O 0.23482785925039 0.93463546481911 0.93237291859876 15.999 > 18 19 O 0.26517214074961 0.56536453518089 0.43237291859876 15.999 > 19 20 O 0.73482785925039 0.56536453518089 0.06762708140124 15.999 > 20 21 O 0.50948470369326 0.25925618054485 0.42753657485302 15.999 > 21 22 O 0.49051529630674 0.25925618054485 0.07246342514698 15.999 > 22 23 O 0.00948470369326 0.24074381945515 0.57246342514698 15.999 > 23 24 O 0.99051529630674 0.24074381945515 0.92753657485302 15.999 > 24 *25 O 0.83370718750659 0.79894535838328 0.91466915610739 15.999 > 25 26 O 0.16629281249341 0.79894535838328 0.58533084389261 15.999 > 26 27 O 0.33370718750659 0.70105464161672 0.08533084389261 15.999 > 27 28 O 0.66629281249341 0.70105464161672 0.41466915610739 15.999 > 28 29 O 0.16629281249341 0.20105464161672 0.08533084389261 15.999 > 29 30 O 0.83370718750659 0.20105464161672 0.41466915610739 15.999 > 30 31 O 0.66629281249341 0.29894535838328 0.91466915610739 15.999 > 31 32 O 0.33370718750659 0.29894535838328 0.58533084389261 15.999 > 32 33 O 0.00948470369326 0.75925618054485 0.07246342514698 15.999 > 33 34 O 0.99051529630674 0.75925618054485 0.42753657485302 15.999 > 34 35 O 0.50948470369326 0.74074381945515 0.92753657485302 15.999 > 35 36 O 0.26517214074961 0.43463546481911 0.93237291859876 15.999 > 36 *37 Na 0.43749324332944 0.85859942527843 0.34606734645321 22.990 > 37 38 Na 0.56250675667056 0.85859942527843 0.15393265354679 22.990 > 38 39 Na 0.93749324332944 0.64140057472157 0.65393265354679 22.990 > 39 40 Na 0.06250675667056 0.64140057472157 0.84606734645321 22.990 > 40 41 Na 0.56250675667056 0.14140057472157 0.65393265354679 22.990 > 41 42 Na 0.43749324332944 0.14140057472157 0.84606734645321 22.990 > 42 43 Na 0.06250675667056 0.35859942527843 0.34606734645321 22.990 > 43 44 Na 0.93749324332944 0.35859942527843 0.15393265354679 22.990 > 44 *45 Si 0.34272536471274 0.30098280034107 0.47375522467286 28.085 > 45 46 Si 0.65727463528726 0.30098280034107 0.02624477532714 28.085 > 46 47 Si 0.84272536471274 0.19901719965893 0.52624477532714 28.085 > 47 48 Si 0.15727463528726 0.19901719965893 0.97375522467286 28.085 > 48 49 Si 0.65727463528726 0.69901719965893 0.52624477532714 28.085 > 49 50 Si 0.34272536471274 0.69901719965893 0.97375522467286 28.085 > 50 51 Si 0.15727463528726 0.80098280034107 0.47375522467286 28.085 > 51 52 Si 0.84272536471274 0.80098280034107 0.02624477532714 28.085 > 52 *53 Ti 0.65189753225095 0.36914578489365 0.33050718461390 47.867 > 53 54 Ti 0.34810246774905 0.36914578489365 0.16949281538610 47.867 > 54 55 Ti 0.15189753225095 0.13085421510635 0.66949281538610 47.867 > 55 56 Ti 0.84810246774905 0.13085421510635 0.83050718461390 47.867 > 56 57 Ti 0.34810246774905 0.63085421510635 0.66949281538610 47.867 > 57 58 Ti 0.65189753225095 0.63085421510635 0.83050718461390 47.867 > 58 59 Ti 0.84810246774905 0.86914578489365 0.33050718461390 47.867 > 59 60 Ti 0.15189753225095 0.86914578489365 0.16949281538610 47.867 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.697639999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.474556860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.543576910000001 Atomic positions (fractional): *1 O 0.50000000000000 0.24608505290582 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.74608505290582 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.00391494709418 0.75000000000000 15.999 > 2 4 O 0.00000000000000 0.50391494709418 0.75000000000000 15.999 > 2 5 O 0.50000000000000 0.25391494709418 0.75000000000000 15.999 > 3 6 O 0.50000000000000 0.75391494709418 0.75000000000000 15.999 > 3 7 O 0.00000000000000 0.49608505290582 0.25000000000000 15.999 > 4 8 O 0.00000000000000 0.99608505290582 0.25000000000000 15.999 > 4 *9 O 0.68188261216144 0.02839564376040 0.27667413322510 15.999 > 5 10 O 0.68188261216144 0.52839564376040 0.27667413322510 15.999 > 5 11 O 0.31811738783855 0.02839564376040 0.22332586677490 15.999 > 6 12 O 0.31811738783855 0.52839564376040 0.22332586677490 15.999 > 6 13 O 0.18188261216144 0.22160435623960 0.72332586677490 15.999 > 7 14 O 0.18188261216144 0.72160435623960 0.72332586677490 15.999 > 7 15 O 0.81811738783856 0.22160435623960 0.77667413322510 15.999 > 8 16 O 0.81811738783856 0.72160435623960 0.77667413322510 15.999 > 8 17 O 0.31811738783855 0.47160435623960 0.72332586677490 15.999 > 9 18 O 0.31811738783855 0.97160435623960 0.72332586677490 15.999 > 9 19 O 0.68188261216144 0.47160435623960 0.77667413322510 15.999 > 10 20 O 0.68188261216144 0.97160435623960 0.77667413322510 15.999 > 10 21 O 0.81811738783856 0.27839564376040 0.27667413322510 15.999 > 11 22 O 0.81811738783856 0.77839564376040 0.27667413322510 15.999 > 11 23 O 0.18188261216144 0.27839564376040 0.22332586677490 15.999 > 12 24 O 0.18188261216144 0.77839564376040 0.22332586677490 15.999 > 12 *25 O 0.23482785925039 0.03268226759045 0.43237291859876 15.999 > 13 26 O 0.23482785925039 0.53268226759045 0.43237291859876 15.999 > 13 27 O 0.76517214074961 0.03268226759045 0.06762708140124 15.999 > 14 28 O 0.76517214074961 0.53268226759045 0.06762708140124 15.999 > 14 *29 O 0.49051529630674 0.37037190972758 0.57246342514698 15.999 > 15 30 O 0.49051529630674 0.87037190972758 0.57246342514698 15.999 > 15 31 O 0.73482785925039 0.21731773240955 0.56762708140124 15.999 > 16 32 O 0.73482785925039 0.71731773240955 0.56762708140124 15.999 > 16 33 O 0.76517214074961 0.46731773240955 0.56762708140124 15.999 > 17 34 O 0.76517214074961 0.96731773240955 0.56762708140124 15.999 > 17 35 O 0.23482785925039 0.46731773240955 0.93237291859876 15.999 > 18 36 O 0.23482785925039 0.96731773240955 0.93237291859876 15.999 > 18 37 O 0.26517214074961 0.28268226759045 0.43237291859876 15.999 > 19 38 O 0.26517214074961 0.78268226759045 0.43237291859876 15.999 > 19 39 O 0.73482785925039 0.28268226759045 0.06762708140124 15.999 > 20 40 O 0.73482785925039 0.78268226759045 0.06762708140124 15.999 > 20 41 O 0.50948470369326 0.12962809027242 0.42753657485302 15.999 > 21 42 O 0.50948470369326 0.62962809027242 0.42753657485302 15.999 > 21 43 O 0.49051529630674 0.12962809027242 0.07246342514698 15.999 > 22 44 O 0.49051529630674 0.62962809027242 0.07246342514698 15.999 > 22 45 O 0.00948470369326 0.12037190972758 0.57246342514698 15.999 > 23 46 O 0.00948470369326 0.62037190972758 0.57246342514698 15.999 > 23 47 O 0.99051529630674 0.12037190972758 0.92753657485302 15.999 > 24 48 O 0.99051529630674 0.62037190972758 0.92753657485302 15.999 > 24 *49 O 0.83370718750659 0.39947267919164 0.91466915610739 15.999 > 25 50 O 0.83370718750659 0.89947267919164 0.91466915610739 15.999 > 25 51 O 0.16629281249341 0.39947267919164 0.58533084389261 15.999 > 26 52 O 0.16629281249341 0.89947267919164 0.58533084389261 15.999 > 26 53 O 0.33370718750659 0.35052732080836 0.08533084389261 15.999 > 27 54 O 0.33370718750659 0.85052732080836 0.08533084389261 15.999 > 27 55 O 0.66629281249341 0.35052732080836 0.41466915610739 15.999 > 28 56 O 0.66629281249341 0.85052732080836 0.41466915610739 15.999 > 28 57 O 0.16629281249341 0.10052732080836 0.08533084389261 15.999 > 29 58 O 0.16629281249341 0.60052732080836 0.08533084389261 15.999 > 29 59 O 0.83370718750659 0.10052732080836 0.41466915610739 15.999 > 30 60 O 0.83370718750659 0.60052732080836 0.41466915610739 15.999 > 30 61 O 0.66629281249341 0.14947267919164 0.91466915610739 15.999 > 31 62 O 0.66629281249341 0.64947267919164 0.91466915610739 15.999 > 31 63 O 0.33370718750659 0.14947267919164 0.58533084389261 15.999 > 32 64 O 0.33370718750659 0.64947267919164 0.58533084389261 15.999 > 32 65 O 0.00948470369326 0.37962809027242 0.07246342514698 15.999 > 33 66 O 0.00948470369326 0.87962809027242 0.07246342514698 15.999 > 33 67 O 0.99051529630674 0.37962809027242 0.42753657485302 15.999 > 34 68 O 0.99051529630674 0.87962809027242 0.42753657485302 15.999 > 34 69 O 0.50948470369326 0.37037190972758 0.92753657485302 15.999 > 35 70 O 0.50948470369326 0.87037190972758 0.92753657485302 15.999 > 35 71 O 0.26517214074961 0.21731773240955 0.93237291859876 15.999 > 36 72 O 0.26517214074961 0.71731773240955 0.93237291859876 15.999 > 36 *73 Na 0.43749324332944 0.42929971263922 0.34606734645321 22.990 > 37 74 Na 0.43749324332944 0.92929971263922 0.34606734645321 22.990 > 37 75 Na 0.56250675667056 0.42929971263922 0.15393265354679 22.990 > 38 76 Na 0.56250675667056 0.92929971263922 0.15393265354679 22.990 > 38 77 Na 0.93749324332944 0.32070028736078 0.65393265354679 22.990 > 39 78 Na 0.93749324332944 0.82070028736078 0.65393265354679 22.990 > 39 79 Na 0.06250675667056 0.32070028736078 0.84606734645321 22.990 > 40 80 Na 0.06250675667056 0.82070028736078 0.84606734645321 22.990 > 40 81 Na 0.56250675667056 0.07070028736078 0.65393265354679 22.990 > 41 82 Na 0.56250675667056 0.57070028736078 0.65393265354679 22.990 > 41 83 Na 0.43749324332944 0.07070028736078 0.84606734645321 22.990 > 42 84 Na 0.43749324332944 0.57070028736078 0.84606734645321 22.990 > 42 85 Na 0.06250675667056 0.17929971263922 0.34606734645321 22.990 > 43 86 Na 0.06250675667056 0.67929971263922 0.34606734645321 22.990 > 43 87 Na 0.93749324332944 0.17929971263922 0.15393265354679 22.990 > 44 88 Na 0.93749324332944 0.67929971263922 0.15393265354679 22.990 > 44 *89 Si 0.34272536471274 0.15049140017054 0.47375522467286 28.085 > 45 90 Si 0.34272536471274 0.65049140017054 0.47375522467286 28.085 > 45 91 Si 0.65727463528726 0.15049140017054 0.02624477532714 28.085 > 46 92 Si 0.65727463528726 0.65049140017054 0.02624477532714 28.085 > 46 93 Si 0.84272536471274 0.09950859982946 0.52624477532714 28.085 > 47 94 Si 0.84272536471274 0.59950859982946 0.52624477532714 28.085 > 47 95 Si 0.15727463528726 0.09950859982946 0.97375522467286 28.085 > 48 96 Si 0.15727463528726 0.59950859982946 0.97375522467286 28.085 > 48 97 Si 0.65727463528726 0.34950859982946 0.52624477532714 28.085 > 49 98 Si 0.65727463528726 0.84950859982946 0.52624477532714 28.085 > 49 99 Si 0.34272536471274 0.34950859982946 0.97375522467286 28.085 > 50 100 Si 0.34272536471274 0.84950859982946 0.97375522467286 28.085 > 50 101 Si 0.15727463528726 0.40049140017054 0.47375522467286 28.085 > 51 102 Si 0.15727463528726 0.90049140017054 0.47375522467286 28.085 > 51 103 Si 0.84272536471274 0.40049140017054 0.02624477532714 28.085 > 52 104 Si 0.84272536471274 0.90049140017054 0.02624477532714 28.085 > 52 *105 Ti 0.65189753225095 0.18457289244682 0.33050718461390 47.867 > 53 106 Ti 0.65189753225095 0.68457289244682 0.33050718461390 47.867 > 53 107 Ti 0.34810246774905 0.18457289244682 0.16949281538610 47.867 > 54 108 Ti 0.34810246774905 0.68457289244682 0.16949281538610 47.867 > 54 109 Ti 0.15189753225095 0.06542710755318 0.66949281538610 47.867 > 55 110 Ti 0.15189753225095 0.56542710755318 0.66949281538610 47.867 > 55 111 Ti 0.84810246774905 0.06542710755318 0.83050718461390 47.867 > 56 112 Ti 0.84810246774905 0.56542710755318 0.83050718461390 47.867 > 56 113 Ti 0.34810246774905 0.31542710755318 0.66949281538610 47.867 > 57 114 Ti 0.34810246774905 0.81542710755318 0.66949281538610 47.867 > 57 115 Ti 0.65189753225095 0.31542710755318 0.83050718461390 47.867 > 58 116 Ti 0.65189753225095 0.81542710755318 0.83050718461390 47.867 > 58 117 Ti 0.84810246774905 0.43457289244682 0.33050718461390 47.867 > 59 118 Ti 0.84810246774905 0.93457289244682 0.33050718461390 47.867 > 59 119 Ti 0.15189753225095 0.43457289244682 0.16949281538610 47.867 > 60 120 Ti 0.15189753225095 0.93457289244682 0.16949281538610 47.867 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2290519 0.0000000 0.0000000 0.0000000 4.1694994 0.0000000 0.0000000 0.0000000 3.7805467 -------------------------- Born effective charges -------------------------- 1 O -3.8892097 0.0000000 -2.4802070 0.0000000 -1.4549017 -0.0000000 -2.3111232 0.0000000 -2.8861362 2 O -3.8892097 0.0000000 2.4802070 0.0000000 -1.4549017 -0.0000000 2.3111232 0.0000000 -2.8861362 3 O -3.8892097 0.0000000 -2.4802070 0.0000000 -1.4549017 -0.0000000 -2.3111232 0.0000000 -2.8861362 4 O -3.8892097 0.0000000 2.4802070 0.0000000 -1.4549017 -0.0000000 2.3111232 0.0000000 -2.8861362 5 O -2.2456706 1.5485925 -0.1592968 1.4879792 -3.7656044 -0.1879556 -0.1816817 -0.1972507 -1.2745790 6 O -2.2456706 -1.5485925 -0.1592968 -1.4879792 -3.7656044 0.1879556 -0.1816817 0.1972507 -1.2745790 7 O -2.2456706 -1.5485925 0.1592968 -1.4879792 -3.7656044 -0.1879556 0.1816817 -0.1972507 -1.2745790 8 O -2.2456706 1.5485925 0.1592968 1.4879792 -3.7656044 0.1879556 0.1816817 0.1972507 -1.2745790 9 O -2.2456706 1.5485925 -0.1592968 1.4879792 -3.7656044 -0.1879556 -0.1816817 -0.1972507 -1.2745790 10 O -2.2456706 -1.5485925 -0.1592968 -1.4879792 -3.7656044 0.1879556 -0.1816817 0.1972507 -1.2745790 11 O -2.2456706 -1.5485925 0.1592968 -1.4879792 -3.7656044 -0.1879556 0.1816817 -0.1972507 -1.2745790 12 O -2.2456706 1.5485925 0.1592968 1.4879792 -3.7656044 0.1879556 0.1816817 0.1972507 -1.2745790 13 O -1.7963565 -0.7661660 -0.0230021 -0.7772315 -2.3431664 -0.0239099 0.0391634 0.0120092 -1.5178416 14 O -1.7963565 0.7661660 -0.0230021 0.7772315 -2.3431664 0.0239099 0.0391634 -0.0120092 -1.5178416 15 O -2.8023823 -0.1740317 1.2954149 -0.2052226 -1.3124754 0.1975050 1.3332394 0.2219692 -2.4166202 16 O -1.7963565 0.7661660 0.0230021 0.7772315 -2.3431664 -0.0239099 -0.0391634 0.0120092 -1.5178416 17 O -1.7963565 -0.7661660 -0.0230021 -0.7772315 -2.3431664 -0.0239099 0.0391634 0.0120092 -1.5178416 18 O -1.7963565 0.7661660 -0.0230021 0.7772315 -2.3431664 0.0239099 0.0391634 -0.0120092 -1.5178416 19 O -1.7963565 0.7661660 0.0230021 0.7772315 -2.3431664 -0.0239099 -0.0391634 0.0120092 -1.5178416 20 O -1.7963565 -0.7661660 0.0230021 -0.7772315 -2.3431664 0.0239099 -0.0391634 -0.0120092 -1.5178416 21 O -2.8023823 -0.1740317 1.2954149 -0.2052226 -1.3124754 0.1975050 1.3332394 0.2219692 -2.4166202 22 O -2.8023823 0.1740317 1.2954149 0.2052226 -1.3124754 -0.1975050 1.3332394 -0.2219692 -2.4166202 23 O -2.8023823 0.1740317 -1.2954149 0.2052226 -1.3124754 0.1975050 -1.3332394 0.2219692 -2.4166202 24 O -2.8023823 -0.1740317 -1.2954149 -0.2052226 -1.3124754 -0.1975050 -1.3332394 -0.2219692 -2.4166202 25 O -1.6167234 -0.3453455 -0.4393282 -0.3555323 -2.0272717 0.2211333 -0.5005035 0.2550905 -2.5830820 26 O -1.6167234 0.3453455 -0.4393282 0.3555323 -2.0272717 -0.2211333 -0.5005035 -0.2550905 -2.5830820 27 O -1.6167234 0.3453455 0.4393282 0.3555323 -2.0272717 0.2211333 0.5005035 0.2550905 -2.5830820 28 O -1.6167234 -0.3453455 0.4393282 -0.3555323 -2.0272717 -0.2211333 0.5005035 -0.2550905 -2.5830820 29 O -1.6167234 -0.3453455 -0.4393282 -0.3555323 -2.0272717 0.2211333 -0.5005035 0.2550905 -2.5830820 30 O -1.6167234 0.3453455 -0.4393282 0.3555323 -2.0272717 -0.2211333 -0.5005035 -0.2550905 -2.5830820 31 O -1.6167234 0.3453455 0.4393282 0.3555323 -2.0272717 0.2211333 0.5005035 0.2550905 -2.5830820 32 O -1.6167234 -0.3453455 0.4393282 -0.3555323 -2.0272717 -0.2211333 0.5005035 -0.2550905 -2.5830820 33 O -2.8023823 -0.1740317 -1.2954149 -0.2052226 -1.3124754 -0.1975050 -1.3332394 -0.2219692 -2.4166202 34 O -2.8023823 0.1740317 -1.2954149 0.2052226 -1.3124754 0.1975050 -1.3332394 0.2219692 -2.4166202 35 O -2.8023823 0.1740317 1.2954149 0.2052226 -1.3124754 -0.1975050 1.3332394 -0.2219692 -2.4166202 36 O -1.7963565 -0.7661660 0.0230021 -0.7772315 -2.3431664 0.0239099 -0.0391634 -0.0120092 -1.5178416 37 Na 1.1187038 0.0247014 0.0302703 -0.0481075 1.1647085 -0.0268834 -0.0013109 -0.0115184 1.0795917 38 Na 1.1187038 -0.0247014 0.0302703 0.0481075 1.1647085 0.0268834 -0.0013109 0.0115184 1.0795917 39 Na 1.1187038 -0.0247014 -0.0302703 0.0481075 1.1647085 -0.0268834 0.0013109 -0.0115184 1.0795917 40 Na 1.1187038 0.0247014 -0.0302703 -0.0481075 1.1647085 0.0268834 0.0013109 0.0115184 1.0795917 41 Na 1.1187038 0.0247014 0.0302703 -0.0481075 1.1647085 -0.0268834 -0.0013109 -0.0115184 1.0795917 42 Na 1.1187038 -0.0247014 0.0302703 0.0481075 1.1647085 0.0268834 -0.0013109 0.0115184 1.0795917 43 Na 1.1187038 -0.0247014 -0.0302703 0.0481075 1.1647085 -0.0268834 0.0013109 -0.0115184 1.0795917 44 Na 1.1187038 0.0247014 -0.0302703 -0.0481075 1.1647085 0.0268834 0.0013109 0.0115184 1.0795917 45 Si 3.6642933 -0.1307109 -0.5149567 0.1692465 3.3453735 0.1782295 -0.9384040 0.1972099 3.8190256 46 Si 3.6642933 0.1307109 -0.5149567 -0.1692465 3.3453735 -0.1782295 -0.9384040 -0.1972099 3.8190256 47 Si 3.6642933 0.1307109 0.5149567 -0.1692465 3.3453735 0.1782295 0.9384040 0.1972099 3.8190256 48 Si 3.6642933 -0.1307109 0.5149567 0.1692465 3.3453735 -0.1782295 0.9384040 -0.1972099 3.8190256 49 Si 3.6642933 -0.1307109 -0.5149567 0.1692465 3.3453735 0.1782295 -0.9384040 0.1972099 3.8190256 50 Si 3.6642933 0.1307109 -0.5149567 -0.1692465 3.3453735 -0.1782295 -0.9384040 -0.1972099 3.8190256 51 Si 3.6642933 0.1307109 0.5149567 -0.1692465 3.3453735 0.1782295 0.9384040 0.1972099 3.8190256 52 Si 3.6642933 -0.1307109 0.5149567 0.1692465 3.3453735 -0.1782295 0.9384040 -0.1972099 3.8190256 53 Ti 5.6227406 -0.8534591 -0.1814191 0.7707826 5.6658868 -0.1941045 0.7311832 -0.5829850 4.3365737 54 Ti 5.6227406 0.8534591 -0.1814191 -0.7707826 5.6658868 0.1941045 0.7311832 0.5829850 4.3365737 55 Ti 5.6227406 0.8534591 0.1814191 -0.7707826 5.6658868 -0.1941045 -0.7311832 -0.5829850 4.3365737 56 Ti 5.6227406 -0.8534591 0.1814191 0.7707826 5.6658868 0.1941045 -0.7311832 0.5829850 4.3365737 57 Ti 5.6227406 -0.8534591 -0.1814191 0.7707826 5.6658868 -0.1941045 0.7311832 -0.5829850 4.3365737 58 Ti 5.6227406 0.8534591 -0.1814191 -0.7707826 5.6658868 0.1941045 0.7311832 0.5829850 4.3365737 59 Ti 5.6227406 0.8534591 0.1814191 -0.7707826 5.6658868 -0.1941045 -0.7311832 -0.5829850 4.3365737 60 Ti 5.6227406 -0.8534591 0.1814191 0.7707826 5.6658868 0.1941045 -0.7311832 0.5829850 4.3365737 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4187 Number of blocks in projector: 4187 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 904 / 904 (1) 390 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 383 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4119), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 13), data: (896, 27) @ (27, 13) |-- (396, 383), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (904, 888), data: False |-- (904, 14), data: (904, 30) @ (30, 14) |-- (404, 390), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 960 - Time: 1.752 Solver_block: 200 / 960 - Time: 2.158 Solver_block: 300 / 960 - Time: 1.443 Solver_block: 400 / 960 - Time: 2.172 Solver_block: 500 / 960 - Time: 1.782 Solver_block: 600 / 960 - Time: 2.041 Solver_block: 700 / 960 - Time: 2.218 Solver_block: 800 / 960 - Time: 2.352 Solver_block: 900 / 960 - Time: 1.909 Solver_block: 960 / 960 - Time: 1.001 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.499 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xz) 0.00000000 (xz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4187 Number of blocks in projector: 4187 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 904 / 904 (1) 390 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 383 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4119), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 13), data: (896, 27) @ (27, 13) |-- (396, 383), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (904, 888), data: False |-- (904, 14), data: (904, 30) @ (30, 14) |-- (404, 390), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:08:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:08:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.697639999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.237278430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.543576910000001 Atomic positions (fractional): 1 O 0.50000000000000 0.49217010581163 0.25000000000000 15.999 2 O 0.00000000000000 0.00782989418837 0.75000000000000 15.999 3 O 0.50000000000000 0.50782989418837 0.75000000000000 15.999 4 O 0.00000000000000 0.99217010581163 0.25000000000000 15.999 5 O 0.68188261216144 0.05679128752080 0.27667413322510 15.999 6 O 0.31811738783855 0.05679128752080 0.22332586677490 15.999 7 O 0.18188261216144 0.44320871247920 0.72332586677490 15.999 8 O 0.81811738783856 0.44320871247920 0.77667413322510 15.999 9 O 0.31811738783855 0.94320871247920 0.72332586677490 15.999 10 O 0.68188261216144 0.94320871247920 0.77667413322510 15.999 11 O 0.81811738783856 0.55679128752080 0.27667413322510 15.999 12 O 0.18188261216144 0.55679128752080 0.22332586677490 15.999 13 O 0.23482785925039 0.06536453518089 0.43237291859876 15.999 14 O 0.76517214074961 0.06536453518089 0.06762708140124 15.999 15 O 0.49051529630674 0.74074381945515 0.57246342514698 15.999 16 O 0.73482785925039 0.43463546481911 0.56762708140124 15.999 17 O 0.76517214074961 0.93463546481911 0.56762708140124 15.999 18 O 0.23482785925039 0.93463546481911 0.93237291859876 15.999 19 O 0.26517214074961 0.56536453518089 0.43237291859876 15.999 20 O 0.73482785925039 0.56536453518089 0.06762708140124 15.999 21 O 0.50948470369326 0.25925618054485 0.42753657485302 15.999 22 O 0.49051529630674 0.25925618054485 0.07246342514698 15.999 23 O 0.00948470369326 0.24074381945515 0.57246342514698 15.999 24 O 0.99051529630674 0.24074381945515 0.92753657485302 15.999 25 O 0.83370718750659 0.79894535838328 0.91466915610739 15.999 26 O 0.16629281249341 0.79894535838328 0.58533084389261 15.999 27 O 0.33370718750659 0.70105464161672 0.08533084389261 15.999 28 O 0.66629281249341 0.70105464161672 0.41466915610739 15.999 29 O 0.16629281249341 0.20105464161672 0.08533084389261 15.999 30 O 0.83370718750659 0.20105464161672 0.41466915610739 15.999 31 O 0.66629281249341 0.29894535838328 0.91466915610739 15.999 32 O 0.33370718750659 0.29894535838328 0.58533084389261 15.999 33 O 0.00948470369326 0.75925618054485 0.07246342514698 15.999 34 O 0.99051529630674 0.75925618054485 0.42753657485302 15.999 35 O 0.50948470369326 0.74074381945515 0.92753657485302 15.999 36 O 0.26517214074961 0.43463546481911 0.93237291859876 15.999 37 Na 0.43749324332944 0.85859942527843 0.34606734645321 22.990 38 Na 0.56250675667056 0.85859942527843 0.15393265354679 22.990 39 Na 0.93749324332944 0.64140057472157 0.65393265354679 22.990 40 Na 0.06250675667056 0.64140057472157 0.84606734645321 22.990 41 Na 0.56250675667056 0.14140057472157 0.65393265354679 22.990 42 Na 0.43749324332944 0.14140057472157 0.84606734645321 22.990 43 Na 0.06250675667056 0.35859942527843 0.34606734645321 22.990 44 Na 0.93749324332944 0.35859942527843 0.15393265354679 22.990 45 Si 0.34272536471274 0.30098280034107 0.47375522467286 28.085 46 Si 0.65727463528726 0.30098280034107 0.02624477532714 28.085 47 Si 0.84272536471274 0.19901719965893 0.52624477532714 28.085 48 Si 0.15727463528726 0.19901719965893 0.97375522467286 28.085 49 Si 0.65727463528726 0.69901719965893 0.52624477532714 28.085 50 Si 0.34272536471274 0.69901719965893 0.97375522467286 28.085 51 Si 0.15727463528726 0.80098280034107 0.47375522467286 28.085 52 Si 0.84272536471274 0.80098280034107 0.02624477532714 28.085 53 Ti 0.65189753225095 0.36914578489365 0.33050718461390 47.867 54 Ti 0.34810246774905 0.36914578489365 0.16949281538610 47.867 55 Ti 0.15189753225095 0.13085421510635 0.66949281538610 47.867 56 Ti 0.84810246774905 0.13085421510635 0.83050718461390 47.867 57 Ti 0.34810246774905 0.63085421510635 0.66949281538610 47.867 58 Ti 0.65189753225095 0.63085421510635 0.83050718461390 47.867 59 Ti 0.84810246774905 0.86914578489365 0.33050718461390 47.867 60 Ti 0.15189753225095 0.86914578489365 0.16949281538610 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.697639999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.474556860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.543576910000001 Atomic positions (fractional): 1 O 0.50000000000000 0.24608505290582 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.74608505290582 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.00391494709418 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.50391494709418 0.75000000000000 15.999 > 3 5 O 0.50000000000000 0.25391494709418 0.75000000000000 15.999 > 5 6 O 0.50000000000000 0.75391494709418 0.75000000000000 15.999 > 5 7 O 0.00000000000000 0.49608505290582 0.25000000000000 15.999 > 7 8 O 0.00000000000000 0.99608505290582 0.25000000000000 15.999 > 7 9 O 0.68188261216144 0.02839564376040 0.27667413322510 15.999 > 9 10 O 0.68188261216144 0.52839564376040 0.27667413322510 15.999 > 9 11 O 0.31811738783855 0.02839564376040 0.22332586677490 15.999 > 11 12 O 0.31811738783855 0.52839564376040 0.22332586677490 15.999 > 11 13 O 0.18188261216144 0.22160435623960 0.72332586677490 15.999 > 13 14 O 0.18188261216144 0.72160435623960 0.72332586677490 15.999 > 13 15 O 0.81811738783856 0.22160435623960 0.77667413322510 15.999 > 15 16 O 0.81811738783856 0.72160435623960 0.77667413322510 15.999 > 15 17 O 0.31811738783855 0.47160435623960 0.72332586677490 15.999 > 17 18 O 0.31811738783855 0.97160435623960 0.72332586677490 15.999 > 17 19 O 0.68188261216144 0.47160435623960 0.77667413322510 15.999 > 19 20 O 0.68188261216144 0.97160435623960 0.77667413322510 15.999 > 19 21 O 0.81811738783856 0.27839564376040 0.27667413322510 15.999 > 21 22 O 0.81811738783856 0.77839564376040 0.27667413322510 15.999 > 21 23 O 0.18188261216144 0.27839564376040 0.22332586677490 15.999 > 23 24 O 0.18188261216144 0.77839564376040 0.22332586677490 15.999 > 23 25 O 0.23482785925039 0.03268226759045 0.43237291859876 15.999 > 25 26 O 0.23482785925039 0.53268226759045 0.43237291859876 15.999 > 25 27 O 0.76517214074961 0.03268226759045 0.06762708140124 15.999 > 27 28 O 0.76517214074961 0.53268226759045 0.06762708140124 15.999 > 27 29 O 0.49051529630674 0.37037190972758 0.57246342514698 15.999 > 29 30 O 0.49051529630674 0.87037190972758 0.57246342514698 15.999 > 29 31 O 0.73482785925039 0.21731773240955 0.56762708140124 15.999 > 31 32 O 0.73482785925039 0.71731773240955 0.56762708140124 15.999 > 31 33 O 0.76517214074961 0.46731773240955 0.56762708140124 15.999 > 33 34 O 0.76517214074961 0.96731773240955 0.56762708140124 15.999 > 33 35 O 0.23482785925039 0.46731773240955 0.93237291859876 15.999 > 35 36 O 0.23482785925039 0.96731773240955 0.93237291859876 15.999 > 35 37 O 0.26517214074961 0.28268226759045 0.43237291859876 15.999 > 37 38 O 0.26517214074961 0.78268226759045 0.43237291859876 15.999 > 37 39 O 0.73482785925039 0.28268226759045 0.06762708140124 15.999 > 39 40 O 0.73482785925039 0.78268226759045 0.06762708140124 15.999 > 39 41 O 0.50948470369326 0.12962809027242 0.42753657485302 15.999 > 41 42 O 0.50948470369326 0.62962809027242 0.42753657485302 15.999 > 41 43 O 0.49051529630674 0.12962809027242 0.07246342514698 15.999 > 43 44 O 0.49051529630674 0.62962809027242 0.07246342514698 15.999 > 43 45 O 0.00948470369326 0.12037190972758 0.57246342514698 15.999 > 45 46 O 0.00948470369326 0.62037190972758 0.57246342514698 15.999 > 45 47 O 0.99051529630674 0.12037190972758 0.92753657485302 15.999 > 47 48 O 0.99051529630674 0.62037190972758 0.92753657485302 15.999 > 47 49 O 0.83370718750659 0.39947267919164 0.91466915610739 15.999 > 49 50 O 0.83370718750659 0.89947267919164 0.91466915610739 15.999 > 49 51 O 0.16629281249341 0.39947267919164 0.58533084389261 15.999 > 51 52 O 0.16629281249341 0.89947267919164 0.58533084389261 15.999 > 51 53 O 0.33370718750659 0.35052732080836 0.08533084389261 15.999 > 53 54 O 0.33370718750659 0.85052732080836 0.08533084389261 15.999 > 53 55 O 0.66629281249341 0.35052732080836 0.41466915610739 15.999 > 55 56 O 0.66629281249341 0.85052732080836 0.41466915610739 15.999 > 55 57 O 0.16629281249341 0.10052732080836 0.08533084389261 15.999 > 57 58 O 0.16629281249341 0.60052732080836 0.08533084389261 15.999 > 57 59 O 0.83370718750659 0.10052732080836 0.41466915610739 15.999 > 59 60 O 0.83370718750659 0.60052732080836 0.41466915610739 15.999 > 59 61 O 0.66629281249341 0.14947267919164 0.91466915610739 15.999 > 61 62 O 0.66629281249341 0.64947267919164 0.91466915610739 15.999 > 61 63 O 0.33370718750659 0.14947267919164 0.58533084389261 15.999 > 63 64 O 0.33370718750659 0.64947267919164 0.58533084389261 15.999 > 63 65 O 0.00948470369326 0.37962809027242 0.07246342514698 15.999 > 65 66 O 0.00948470369326 0.87962809027242 0.07246342514698 15.999 > 65 67 O 0.99051529630674 0.37962809027242 0.42753657485302 15.999 > 67 68 O 0.99051529630674 0.87962809027242 0.42753657485302 15.999 > 67 69 O 0.50948470369326 0.37037190972758 0.92753657485302 15.999 > 69 70 O 0.50948470369326 0.87037190972758 0.92753657485302 15.999 > 69 71 O 0.26517214074961 0.21731773240955 0.93237291859876 15.999 > 71 72 O 0.26517214074961 0.71731773240955 0.93237291859876 15.999 > 71 73 Na 0.43749324332944 0.42929971263922 0.34606734645321 22.990 > 73 74 Na 0.43749324332944 0.92929971263922 0.34606734645321 22.990 > 73 75 Na 0.56250675667056 0.42929971263922 0.15393265354679 22.990 > 75 76 Na 0.56250675667056 0.92929971263922 0.15393265354679 22.990 > 75 77 Na 0.93749324332944 0.32070028736078 0.65393265354679 22.990 > 77 78 Na 0.93749324332944 0.82070028736078 0.65393265354679 22.990 > 77 79 Na 0.06250675667056 0.32070028736078 0.84606734645321 22.990 > 79 80 Na 0.06250675667056 0.82070028736078 0.84606734645321 22.990 > 79 81 Na 0.56250675667056 0.07070028736078 0.65393265354679 22.990 > 81 82 Na 0.56250675667056 0.57070028736078 0.65393265354679 22.990 > 81 83 Na 0.43749324332944 0.07070028736078 0.84606734645321 22.990 > 83 84 Na 0.43749324332944 0.57070028736078 0.84606734645321 22.990 > 83 85 Na 0.06250675667056 0.17929971263922 0.34606734645321 22.990 > 85 86 Na 0.06250675667056 0.67929971263922 0.34606734645321 22.990 > 85 87 Na 0.93749324332944 0.17929971263922 0.15393265354679 22.990 > 87 88 Na 0.93749324332944 0.67929971263922 0.15393265354679 22.990 > 87 89 Si 0.34272536471274 0.15049140017054 0.47375522467286 28.085 > 89 90 Si 0.34272536471274 0.65049140017054 0.47375522467286 28.085 > 89 91 Si 0.65727463528726 0.15049140017054 0.02624477532714 28.085 > 91 92 Si 0.65727463528726 0.65049140017054 0.02624477532714 28.085 > 91 93 Si 0.84272536471274 0.09950859982946 0.52624477532714 28.085 > 93 94 Si 0.84272536471274 0.59950859982946 0.52624477532714 28.085 > 93 95 Si 0.15727463528726 0.09950859982946 0.97375522467286 28.085 > 95 96 Si 0.15727463528726 0.59950859982946 0.97375522467286 28.085 > 95 97 Si 0.65727463528726 0.34950859982946 0.52624477532714 28.085 > 97 98 Si 0.65727463528726 0.84950859982946 0.52624477532714 28.085 > 97 99 Si 0.34272536471274 0.34950859982946 0.97375522467286 28.085 > 99 100 Si 0.34272536471274 0.84950859982946 0.97375522467286 28.085 > 99 101 Si 0.15727463528726 0.40049140017054 0.47375522467286 28.085 > 101 102 Si 0.15727463528726 0.90049140017054 0.47375522467286 28.085 > 101 103 Si 0.84272536471274 0.40049140017054 0.02624477532714 28.085 > 103 104 Si 0.84272536471274 0.90049140017054 0.02624477532714 28.085 > 103 105 Ti 0.65189753225095 0.18457289244682 0.33050718461390 47.867 > 105 106 Ti 0.65189753225095 0.68457289244682 0.33050718461390 47.867 > 105 107 Ti 0.34810246774905 0.18457289244682 0.16949281538610 47.867 > 107 108 Ti 0.34810246774905 0.68457289244682 0.16949281538610 47.867 > 107 109 Ti 0.15189753225095 0.06542710755318 0.66949281538610 47.867 > 109 110 Ti 0.15189753225095 0.56542710755318 0.66949281538610 47.867 > 109 111 Ti 0.84810246774905 0.06542710755318 0.83050718461390 47.867 > 111 112 Ti 0.84810246774905 0.56542710755318 0.83050718461390 47.867 > 111 113 Ti 0.34810246774905 0.31542710755318 0.66949281538610 47.867 > 113 114 Ti 0.34810246774905 0.81542710755318 0.66949281538610 47.867 > 113 115 Ti 0.65189753225095 0.31542710755318 0.83050718461390 47.867 > 115 116 Ti 0.65189753225095 0.81542710755318 0.83050718461390 47.867 > 115 117 Ti 0.84810246774905 0.43457289244682 0.33050718461390 47.867 > 117 118 Ti 0.84810246774905 0.93457289244682 0.33050718461390 47.867 > 117 119 Ti 0.15189753225095 0.43457289244682 0.16949281538610 47.867 > 119 120 Ti 0.15189753225095 0.93457289244682 0.16949281538610 47.867 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2290519 0.0000000 0.0000000 0.0000000 4.1694994 0.0000000 0.0000000 0.0000000 3.7805467 -------------------------- Born effective charges -------------------------- 1 O -3.8892097 0.0000000 -2.4802070 0.0000000 -1.4549017 -0.0000000 -2.3111232 0.0000000 -2.8861362 2 O -3.8892097 0.0000000 2.4802070 0.0000000 -1.4549017 -0.0000000 2.3111232 0.0000000 -2.8861362 3 O -3.8892097 0.0000000 -2.4802070 0.0000000 -1.4549017 -0.0000000 -2.3111232 0.0000000 -2.8861362 4 O -3.8892097 0.0000000 2.4802070 0.0000000 -1.4549017 -0.0000000 2.3111232 0.0000000 -2.8861362 5 O -2.2456706 1.5485925 -0.1592968 1.4879792 -3.7656044 -0.1879556 -0.1816817 -0.1972507 -1.2745790 6 O -2.2456706 -1.5485925 -0.1592968 -1.4879792 -3.7656044 0.1879556 -0.1816817 0.1972507 -1.2745790 7 O -2.2456706 -1.5485925 0.1592968 -1.4879792 -3.7656044 -0.1879556 0.1816817 -0.1972507 -1.2745790 8 O -2.2456706 1.5485925 0.1592968 1.4879792 -3.7656044 0.1879556 0.1816817 0.1972507 -1.2745790 9 O -2.2456706 1.5485925 -0.1592968 1.4879792 -3.7656044 -0.1879556 -0.1816817 -0.1972507 -1.2745790 10 O -2.2456706 -1.5485925 -0.1592968 -1.4879792 -3.7656044 0.1879556 -0.1816817 0.1972507 -1.2745790 11 O -2.2456706 -1.5485925 0.1592968 -1.4879792 -3.7656044 -0.1879556 0.1816817 -0.1972507 -1.2745790 12 O -2.2456706 1.5485925 0.1592968 1.4879792 -3.7656044 0.1879556 0.1816817 0.1972507 -1.2745790 13 O -1.7963565 -0.7661660 -0.0230021 -0.7772315 -2.3431664 -0.0239099 0.0391634 0.0120092 -1.5178416 14 O -1.7963565 0.7661660 -0.0230021 0.7772315 -2.3431664 0.0239099 0.0391634 -0.0120092 -1.5178416 15 O -2.8023823 -0.1740317 1.2954149 -0.2052226 -1.3124754 0.1975050 1.3332394 0.2219692 -2.4166202 16 O -1.7963565 0.7661660 0.0230021 0.7772315 -2.3431664 -0.0239099 -0.0391634 0.0120092 -1.5178416 17 O -1.7963565 -0.7661660 -0.0230021 -0.7772315 -2.3431664 -0.0239099 0.0391634 0.0120092 -1.5178416 18 O -1.7963565 0.7661660 -0.0230021 0.7772315 -2.3431664 0.0239099 0.0391634 -0.0120092 -1.5178416 19 O -1.7963565 0.7661660 0.0230021 0.7772315 -2.3431664 -0.0239099 -0.0391634 0.0120092 -1.5178416 20 O -1.7963565 -0.7661660 0.0230021 -0.7772315 -2.3431664 0.0239099 -0.0391634 -0.0120092 -1.5178416 21 O -2.8023823 -0.1740317 1.2954149 -0.2052226 -1.3124754 0.1975050 1.3332394 0.2219692 -2.4166202 22 O -2.8023823 0.1740317 1.2954149 0.2052226 -1.3124754 -0.1975050 1.3332394 -0.2219692 -2.4166202 23 O -2.8023823 0.1740317 -1.2954149 0.2052226 -1.3124754 0.1975050 -1.3332394 0.2219692 -2.4166202 24 O -2.8023823 -0.1740317 -1.2954149 -0.2052226 -1.3124754 -0.1975050 -1.3332394 -0.2219692 -2.4166202 25 O -1.6167234 -0.3453455 -0.4393282 -0.3555323 -2.0272717 0.2211333 -0.5005035 0.2550905 -2.5830820 26 O -1.6167234 0.3453455 -0.4393282 0.3555323 -2.0272717 -0.2211333 -0.5005035 -0.2550905 -2.5830820 27 O -1.6167234 0.3453455 0.4393282 0.3555323 -2.0272717 0.2211333 0.5005035 0.2550905 -2.5830820 28 O -1.6167234 -0.3453455 0.4393282 -0.3555323 -2.0272717 -0.2211333 0.5005035 -0.2550905 -2.5830820 29 O -1.6167234 -0.3453455 -0.4393282 -0.3555323 -2.0272717 0.2211333 -0.5005035 0.2550905 -2.5830820 30 O -1.6167234 0.3453455 -0.4393282 0.3555323 -2.0272717 -0.2211333 -0.5005035 -0.2550905 -2.5830820 31 O -1.6167234 0.3453455 0.4393282 0.3555323 -2.0272717 0.2211333 0.5005035 0.2550905 -2.5830820 32 O -1.6167234 -0.3453455 0.4393282 -0.3555323 -2.0272717 -0.2211333 0.5005035 -0.2550905 -2.5830820 33 O -2.8023823 -0.1740317 -1.2954149 -0.2052226 -1.3124754 -0.1975050 -1.3332394 -0.2219692 -2.4166202 34 O -2.8023823 0.1740317 -1.2954149 0.2052226 -1.3124754 0.1975050 -1.3332394 0.2219692 -2.4166202 35 O -2.8023823 0.1740317 1.2954149 0.2052226 -1.3124754 -0.1975050 1.3332394 -0.2219692 -2.4166202 36 O -1.7963565 -0.7661660 0.0230021 -0.7772315 -2.3431664 0.0239099 -0.0391634 -0.0120092 -1.5178416 37 Na 1.1187038 0.0247014 0.0302703 -0.0481075 1.1647085 -0.0268834 -0.0013109 -0.0115184 1.0795917 38 Na 1.1187038 -0.0247014 0.0302703 0.0481075 1.1647085 0.0268834 -0.0013109 0.0115184 1.0795917 39 Na 1.1187038 -0.0247014 -0.0302703 0.0481075 1.1647085 -0.0268834 0.0013109 -0.0115184 1.0795917 40 Na 1.1187038 0.0247014 -0.0302703 -0.0481075 1.1647085 0.0268834 0.0013109 0.0115184 1.0795917 41 Na 1.1187038 0.0247014 0.0302703 -0.0481075 1.1647085 -0.0268834 -0.0013109 -0.0115184 1.0795917 42 Na 1.1187038 -0.0247014 0.0302703 0.0481075 1.1647085 0.0268834 -0.0013109 0.0115184 1.0795917 43 Na 1.1187038 -0.0247014 -0.0302703 0.0481075 1.1647085 -0.0268834 0.0013109 -0.0115184 1.0795917 44 Na 1.1187038 0.0247014 -0.0302703 -0.0481075 1.1647085 0.0268834 0.0013109 0.0115184 1.0795917 45 Si 3.6642933 -0.1307109 -0.5149567 0.1692465 3.3453735 0.1782295 -0.9384040 0.1972099 3.8190256 46 Si 3.6642933 0.1307109 -0.5149567 -0.1692465 3.3453735 -0.1782295 -0.9384040 -0.1972099 3.8190256 47 Si 3.6642933 0.1307109 0.5149567 -0.1692465 3.3453735 0.1782295 0.9384040 0.1972099 3.8190256 48 Si 3.6642933 -0.1307109 0.5149567 0.1692465 3.3453735 -0.1782295 0.9384040 -0.1972099 3.8190256 49 Si 3.6642933 -0.1307109 -0.5149567 0.1692465 3.3453735 0.1782295 -0.9384040 0.1972099 3.8190256 50 Si 3.6642933 0.1307109 -0.5149567 -0.1692465 3.3453735 -0.1782295 -0.9384040 -0.1972099 3.8190256 51 Si 3.6642933 0.1307109 0.5149567 -0.1692465 3.3453735 0.1782295 0.9384040 0.1972099 3.8190256 52 Si 3.6642933 -0.1307109 0.5149567 0.1692465 3.3453735 -0.1782295 0.9384040 -0.1972099 3.8190256 53 Ti 5.6227406 -0.8534591 -0.1814191 0.7707826 5.6658868 -0.1941045 0.7311832 -0.5829850 4.3365737 54 Ti 5.6227406 0.8534591 -0.1814191 -0.7707826 5.6658868 0.1941045 0.7311832 0.5829850 4.3365737 55 Ti 5.6227406 0.8534591 0.1814191 -0.7707826 5.6658868 -0.1941045 -0.7311832 -0.5829850 4.3365737 56 Ti 5.6227406 -0.8534591 0.1814191 0.7707826 5.6658868 0.1941045 -0.7311832 0.5829850 4.3365737 57 Ti 5.6227406 -0.8534591 -0.1814191 0.7707826 5.6658868 -0.1941045 0.7311832 -0.5829850 4.3365737 58 Ti 5.6227406 0.8534591 -0.1814191 -0.7707826 5.6658868 0.1941045 0.7311832 0.5829850 4.3365737 59 Ti 5.6227406 0.8534591 0.1814191 -0.7707826 5.6658868 -0.1941045 -0.7311832 -0.5829850 4.3365737 60 Ti 5.6227406 -0.8534591 0.1814191 0.7707826 5.6658868 0.1941045 -0.7311832 0.5829850 4.3365737 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 2026-01-07 21:08:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:08:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.697639999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.237278430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.543576910000001 Atomic positions (fractional): 1 O 0.50000000000000 0.49217010581163 0.25000000000000 15.999 2 O 0.00000000000000 0.00782989418837 0.75000000000000 15.999 3 O 0.50000000000000 0.50782989418837 0.75000000000000 15.999 4 O 0.00000000000000 0.99217010581163 0.25000000000000 15.999 5 O 0.68188261216144 0.05679128752080 0.27667413322510 15.999 6 O 0.31811738783855 0.05679128752080 0.22332586677490 15.999 7 O 0.18188261216144 0.44320871247920 0.72332586677490 15.999 8 O 0.81811738783856 0.44320871247920 0.77667413322510 15.999 9 O 0.31811738783855 0.94320871247920 0.72332586677490 15.999 10 O 0.68188261216144 0.94320871247920 0.77667413322510 15.999 11 O 0.81811738783856 0.55679128752080 0.27667413322510 15.999 12 O 0.18188261216144 0.55679128752080 0.22332586677490 15.999 13 O 0.23482785925039 0.06536453518089 0.43237291859876 15.999 14 O 0.76517214074961 0.06536453518089 0.06762708140124 15.999 15 O 0.49051529630674 0.74074381945515 0.57246342514698 15.999 16 O 0.73482785925039 0.43463546481911 0.56762708140124 15.999 17 O 0.76517214074961 0.93463546481911 0.56762708140124 15.999 18 O 0.23482785925039 0.93463546481911 0.93237291859876 15.999 19 O 0.26517214074961 0.56536453518089 0.43237291859876 15.999 20 O 0.73482785925039 0.56536453518089 0.06762708140124 15.999 21 O 0.50948470369326 0.25925618054485 0.42753657485302 15.999 22 O 0.49051529630674 0.25925618054485 0.07246342514698 15.999 23 O 0.00948470369326 0.24074381945515 0.57246342514698 15.999 24 O 0.99051529630674 0.24074381945515 0.92753657485302 15.999 25 O 0.83370718750659 0.79894535838328 0.91466915610739 15.999 26 O 0.16629281249341 0.79894535838328 0.58533084389261 15.999 27 O 0.33370718750659 0.70105464161672 0.08533084389261 15.999 28 O 0.66629281249341 0.70105464161672 0.41466915610739 15.999 29 O 0.16629281249341 0.20105464161672 0.08533084389261 15.999 30 O 0.83370718750659 0.20105464161672 0.41466915610739 15.999 31 O 0.66629281249341 0.29894535838328 0.91466915610739 15.999 32 O 0.33370718750659 0.29894535838328 0.58533084389261 15.999 33 O 0.00948470369326 0.75925618054485 0.07246342514698 15.999 34 O 0.99051529630674 0.75925618054485 0.42753657485302 15.999 35 O 0.50948470369326 0.74074381945515 0.92753657485302 15.999 36 O 0.26517214074961 0.43463546481911 0.93237291859876 15.999 37 Na 0.43749324332944 0.85859942527843 0.34606734645321 22.990 38 Na 0.56250675667056 0.85859942527843 0.15393265354679 22.990 39 Na 0.93749324332944 0.64140057472157 0.65393265354679 22.990 40 Na 0.06250675667056 0.64140057472157 0.84606734645321 22.990 41 Na 0.56250675667056 0.14140057472157 0.65393265354679 22.990 42 Na 0.43749324332944 0.14140057472157 0.84606734645321 22.990 43 Na 0.06250675667056 0.35859942527843 0.34606734645321 22.990 44 Na 0.93749324332944 0.35859942527843 0.15393265354679 22.990 45 Si 0.34272536471274 0.30098280034107 0.47375522467286 28.085 46 Si 0.65727463528726 0.30098280034107 0.02624477532714 28.085 47 Si 0.84272536471274 0.19901719965893 0.52624477532714 28.085 48 Si 0.15727463528726 0.19901719965893 0.97375522467286 28.085 49 Si 0.65727463528726 0.69901719965893 0.52624477532714 28.085 50 Si 0.34272536471274 0.69901719965893 0.97375522467286 28.085 51 Si 0.15727463528726 0.80098280034107 0.47375522467286 28.085 52 Si 0.84272536471274 0.80098280034107 0.02624477532714 28.085 53 Ti 0.65189753225095 0.36914578489365 0.33050718461390 47.867 54 Ti 0.34810246774905 0.36914578489365 0.16949281538610 47.867 55 Ti 0.15189753225095 0.13085421510635 0.66949281538610 47.867 56 Ti 0.84810246774905 0.13085421510635 0.83050718461390 47.867 57 Ti 0.34810246774905 0.63085421510635 0.66949281538610 47.867 58 Ti 0.65189753225095 0.63085421510635 0.83050718461390 47.867 59 Ti 0.84810246774905 0.86914578489365 0.33050718461390 47.867 60 Ti 0.15189753225095 0.86914578489365 0.16949281538610 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.697639999999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.474556860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.543576910000001 Atomic positions (fractional): 1 O 0.50000000000000 0.24608505290582 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.74608505290582 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.00391494709418 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.50391494709418 0.75000000000000 15.999 > 3 5 O 0.50000000000000 0.25391494709418 0.75000000000000 15.999 > 5 6 O 0.50000000000000 0.75391494709418 0.75000000000000 15.999 > 5 7 O 0.00000000000000 0.49608505290582 0.25000000000000 15.999 > 7 8 O 0.00000000000000 0.99608505290582 0.25000000000000 15.999 > 7 9 O 0.68188261216144 0.02839564376040 0.27667413322510 15.999 > 9 10 O 0.68188261216144 0.52839564376040 0.27667413322510 15.999 > 9 11 O 0.31811738783855 0.02839564376040 0.22332586677490 15.999 > 11 12 O 0.31811738783855 0.52839564376040 0.22332586677490 15.999 > 11 13 O 0.18188261216144 0.22160435623960 0.72332586677490 15.999 > 13 14 O 0.18188261216144 0.72160435623960 0.72332586677490 15.999 > 13 15 O 0.81811738783856 0.22160435623960 0.77667413322510 15.999 > 15 16 O 0.81811738783856 0.72160435623960 0.77667413322510 15.999 > 15 17 O 0.31811738783855 0.47160435623960 0.72332586677490 15.999 > 17 18 O 0.31811738783855 0.97160435623960 0.72332586677490 15.999 > 17 19 O 0.68188261216144 0.47160435623960 0.77667413322510 15.999 > 19 20 O 0.68188261216144 0.97160435623960 0.77667413322510 15.999 > 19 21 O 0.81811738783856 0.27839564376040 0.27667413322510 15.999 > 21 22 O 0.81811738783856 0.77839564376040 0.27667413322510 15.999 > 21 23 O 0.18188261216144 0.27839564376040 0.22332586677490 15.999 > 23 24 O 0.18188261216144 0.77839564376040 0.22332586677490 15.999 > 23 25 O 0.23482785925039 0.03268226759045 0.43237291859876 15.999 > 25 26 O 0.23482785925039 0.53268226759045 0.43237291859876 15.999 > 25 27 O 0.76517214074961 0.03268226759045 0.06762708140124 15.999 > 27 28 O 0.76517214074961 0.53268226759045 0.06762708140124 15.999 > 27 29 O 0.49051529630674 0.37037190972758 0.57246342514698 15.999 > 29 30 O 0.49051529630674 0.87037190972758 0.57246342514698 15.999 > 29 31 O 0.73482785925039 0.21731773240955 0.56762708140124 15.999 > 31 32 O 0.73482785925039 0.71731773240955 0.56762708140124 15.999 > 31 33 O 0.76517214074961 0.46731773240955 0.56762708140124 15.999 > 33 34 O 0.76517214074961 0.96731773240955 0.56762708140124 15.999 > 33 35 O 0.23482785925039 0.46731773240955 0.93237291859876 15.999 > 35 36 O 0.23482785925039 0.96731773240955 0.93237291859876 15.999 > 35 37 O 0.26517214074961 0.28268226759045 0.43237291859876 15.999 > 37 38 O 0.26517214074961 0.78268226759045 0.43237291859876 15.999 > 37 39 O 0.73482785925039 0.28268226759045 0.06762708140124 15.999 > 39 40 O 0.73482785925039 0.78268226759045 0.06762708140124 15.999 > 39 41 O 0.50948470369326 0.12962809027242 0.42753657485302 15.999 > 41 42 O 0.50948470369326 0.62962809027242 0.42753657485302 15.999 > 41 43 O 0.49051529630674 0.12962809027242 0.07246342514698 15.999 > 43 44 O 0.49051529630674 0.62962809027242 0.07246342514698 15.999 > 43 45 O 0.00948470369326 0.12037190972758 0.57246342514698 15.999 > 45 46 O 0.00948470369326 0.62037190972758 0.57246342514698 15.999 > 45 47 O 0.99051529630674 0.12037190972758 0.92753657485302 15.999 > 47 48 O 0.99051529630674 0.62037190972758 0.92753657485302 15.999 > 47 49 O 0.83370718750659 0.39947267919164 0.91466915610739 15.999 > 49 50 O 0.83370718750659 0.89947267919164 0.91466915610739 15.999 > 49 51 O 0.16629281249341 0.39947267919164 0.58533084389261 15.999 > 51 52 O 0.16629281249341 0.89947267919164 0.58533084389261 15.999 > 51 53 O 0.33370718750659 0.35052732080836 0.08533084389261 15.999 > 53 54 O 0.33370718750659 0.85052732080836 0.08533084389261 15.999 > 53 55 O 0.66629281249341 0.35052732080836 0.41466915610739 15.999 > 55 56 O 0.66629281249341 0.85052732080836 0.41466915610739 15.999 > 55 57 O 0.16629281249341 0.10052732080836 0.08533084389261 15.999 > 57 58 O 0.16629281249341 0.60052732080836 0.08533084389261 15.999 > 57 59 O 0.83370718750659 0.10052732080836 0.41466915610739 15.999 > 59 60 O 0.83370718750659 0.60052732080836 0.41466915610739 15.999 > 59 61 O 0.66629281249341 0.14947267919164 0.91466915610739 15.999 > 61 62 O 0.66629281249341 0.64947267919164 0.91466915610739 15.999 > 61 63 O 0.33370718750659 0.14947267919164 0.58533084389261 15.999 > 63 64 O 0.33370718750659 0.64947267919164 0.58533084389261 15.999 > 63 65 O 0.00948470369326 0.37962809027242 0.07246342514698 15.999 > 65 66 O 0.00948470369326 0.87962809027242 0.07246342514698 15.999 > 65 67 O 0.99051529630674 0.37962809027242 0.42753657485302 15.999 > 67 68 O 0.99051529630674 0.87962809027242 0.42753657485302 15.999 > 67 69 O 0.50948470369326 0.37037190972758 0.92753657485302 15.999 > 69 70 O 0.50948470369326 0.87037190972758 0.92753657485302 15.999 > 69 71 O 0.26517214074961 0.21731773240955 0.93237291859876 15.999 > 71 72 O 0.26517214074961 0.71731773240955 0.93237291859876 15.999 > 71 73 Na 0.43749324332944 0.42929971263922 0.34606734645321 22.990 > 73 74 Na 0.43749324332944 0.92929971263922 0.34606734645321 22.990 > 73 75 Na 0.56250675667056 0.42929971263922 0.15393265354679 22.990 > 75 76 Na 0.56250675667056 0.92929971263922 0.15393265354679 22.990 > 75 77 Na 0.93749324332944 0.32070028736078 0.65393265354679 22.990 > 77 78 Na 0.93749324332944 0.82070028736078 0.65393265354679 22.990 > 77 79 Na 0.06250675667056 0.32070028736078 0.84606734645321 22.990 > 79 80 Na 0.06250675667056 0.82070028736078 0.84606734645321 22.990 > 79 81 Na 0.56250675667056 0.07070028736078 0.65393265354679 22.990 > 81 82 Na 0.56250675667056 0.57070028736078 0.65393265354679 22.990 > 81 83 Na 0.43749324332944 0.07070028736078 0.84606734645321 22.990 > 83 84 Na 0.43749324332944 0.57070028736078 0.84606734645321 22.990 > 83 85 Na 0.06250675667056 0.17929971263922 0.34606734645321 22.990 > 85 86 Na 0.06250675667056 0.67929971263922 0.34606734645321 22.990 > 85 87 Na 0.93749324332944 0.17929971263922 0.15393265354679 22.990 > 87 88 Na 0.93749324332944 0.67929971263922 0.15393265354679 22.990 > 87 89 Si 0.34272536471274 0.15049140017054 0.47375522467286 28.085 > 89 90 Si 0.34272536471274 0.65049140017054 0.47375522467286 28.085 > 89 91 Si 0.65727463528726 0.15049140017054 0.02624477532714 28.085 > 91 92 Si 0.65727463528726 0.65049140017054 0.02624477532714 28.085 > 91 93 Si 0.84272536471274 0.09950859982946 0.52624477532714 28.085 > 93 94 Si 0.84272536471274 0.59950859982946 0.52624477532714 28.085 > 93 95 Si 0.15727463528726 0.09950859982946 0.97375522467286 28.085 > 95 96 Si 0.15727463528726 0.59950859982946 0.97375522467286 28.085 > 95 97 Si 0.65727463528726 0.34950859982946 0.52624477532714 28.085 > 97 98 Si 0.65727463528726 0.84950859982946 0.52624477532714 28.085 > 97 99 Si 0.34272536471274 0.34950859982946 0.97375522467286 28.085 > 99 100 Si 0.34272536471274 0.84950859982946 0.97375522467286 28.085 > 99 101 Si 0.15727463528726 0.40049140017054 0.47375522467286 28.085 > 101 102 Si 0.15727463528726 0.90049140017054 0.47375522467286 28.085 > 101 103 Si 0.84272536471274 0.40049140017054 0.02624477532714 28.085 > 103 104 Si 0.84272536471274 0.90049140017054 0.02624477532714 28.085 > 103 105 Ti 0.65189753225095 0.18457289244682 0.33050718461390 47.867 > 105 106 Ti 0.65189753225095 0.68457289244682 0.33050718461390 47.867 > 105 107 Ti 0.34810246774905 0.18457289244682 0.16949281538610 47.867 > 107 108 Ti 0.34810246774905 0.68457289244682 0.16949281538610 47.867 > 107 109 Ti 0.15189753225095 0.06542710755318 0.66949281538610 47.867 > 109 110 Ti 0.15189753225095 0.56542710755318 0.66949281538610 47.867 > 109 111 Ti 0.84810246774905 0.06542710755318 0.83050718461390 47.867 > 111 112 Ti 0.84810246774905 0.56542710755318 0.83050718461390 47.867 > 111 113 Ti 0.34810246774905 0.31542710755318 0.66949281538610 47.867 > 113 114 Ti 0.34810246774905 0.81542710755318 0.66949281538610 47.867 > 113 115 Ti 0.65189753225095 0.31542710755318 0.83050718461390 47.867 > 115 116 Ti 0.65189753225095 0.81542710755318 0.83050718461390 47.867 > 115 117 Ti 0.84810246774905 0.43457289244682 0.33050718461390 47.867 > 117 118 Ti 0.84810246774905 0.93457289244682 0.33050718461390 47.867 > 117 119 Ti 0.15189753225095 0.43457289244682 0.16949281538610 47.867 > 119 120 Ti 0.15189753225095 0.93457289244682 0.16949281538610 47.867 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2290519 0.0000000 0.0000000 0.0000000 4.1694994 0.0000000 0.0000000 0.0000000 3.7805467 -------------------------- Born effective charges -------------------------- 1 O -3.8892097 0.0000000 -2.4802070 0.0000000 -1.4549017 -0.0000000 -2.3111232 0.0000000 -2.8861362 2 O -3.8892097 0.0000000 2.4802070 0.0000000 -1.4549017 -0.0000000 2.3111232 0.0000000 -2.8861362 3 O -3.8892097 0.0000000 -2.4802070 0.0000000 -1.4549017 -0.0000000 -2.3111232 0.0000000 -2.8861362 4 O -3.8892097 0.0000000 2.4802070 0.0000000 -1.4549017 -0.0000000 2.3111232 0.0000000 -2.8861362 5 O -2.2456706 1.5485925 -0.1592968 1.4879792 -3.7656044 -0.1879556 -0.1816817 -0.1972507 -1.2745790 6 O -2.2456706 -1.5485925 -0.1592968 -1.4879792 -3.7656044 0.1879556 -0.1816817 0.1972507 -1.2745790 7 O -2.2456706 -1.5485925 0.1592968 -1.4879792 -3.7656044 -0.1879556 0.1816817 -0.1972507 -1.2745790 8 O -2.2456706 1.5485925 0.1592968 1.4879792 -3.7656044 0.1879556 0.1816817 0.1972507 -1.2745790 9 O -2.2456706 1.5485925 -0.1592968 1.4879792 -3.7656044 -0.1879556 -0.1816817 -0.1972507 -1.2745790 10 O -2.2456706 -1.5485925 -0.1592968 -1.4879792 -3.7656044 0.1879556 -0.1816817 0.1972507 -1.2745790 11 O -2.2456706 -1.5485925 0.1592968 -1.4879792 -3.7656044 -0.1879556 0.1816817 -0.1972507 -1.2745790 12 O -2.2456706 1.5485925 0.1592968 1.4879792 -3.7656044 0.1879556 0.1816817 0.1972507 -1.2745790 13 O -1.7963565 -0.7661660 -0.0230021 -0.7772315 -2.3431664 -0.0239099 0.0391634 0.0120092 -1.5178416 14 O -1.7963565 0.7661660 -0.0230021 0.7772315 -2.3431664 0.0239099 0.0391634 -0.0120092 -1.5178416 15 O -2.8023823 -0.1740317 1.2954149 -0.2052226 -1.3124754 0.1975050 1.3332394 0.2219692 -2.4166202 16 O -1.7963565 0.7661660 0.0230021 0.7772315 -2.3431664 -0.0239099 -0.0391634 0.0120092 -1.5178416 17 O -1.7963565 -0.7661660 -0.0230021 -0.7772315 -2.3431664 -0.0239099 0.0391634 0.0120092 -1.5178416 18 O -1.7963565 0.7661660 -0.0230021 0.7772315 -2.3431664 0.0239099 0.0391634 -0.0120092 -1.5178416 19 O -1.7963565 0.7661660 0.0230021 0.7772315 -2.3431664 -0.0239099 -0.0391634 0.0120092 -1.5178416 20 O -1.7963565 -0.7661660 0.0230021 -0.7772315 -2.3431664 0.0239099 -0.0391634 -0.0120092 -1.5178416 21 O -2.8023823 -0.1740317 1.2954149 -0.2052226 -1.3124754 0.1975050 1.3332394 0.2219692 -2.4166202 22 O -2.8023823 0.1740317 1.2954149 0.2052226 -1.3124754 -0.1975050 1.3332394 -0.2219692 -2.4166202 23 O -2.8023823 0.1740317 -1.2954149 0.2052226 -1.3124754 0.1975050 -1.3332394 0.2219692 -2.4166202 24 O -2.8023823 -0.1740317 -1.2954149 -0.2052226 -1.3124754 -0.1975050 -1.3332394 -0.2219692 -2.4166202 25 O -1.6167234 -0.3453455 -0.4393282 -0.3555323 -2.0272717 0.2211333 -0.5005035 0.2550905 -2.5830820 26 O -1.6167234 0.3453455 -0.4393282 0.3555323 -2.0272717 -0.2211333 -0.5005035 -0.2550905 -2.5830820 27 O -1.6167234 0.3453455 0.4393282 0.3555323 -2.0272717 0.2211333 0.5005035 0.2550905 -2.5830820 28 O -1.6167234 -0.3453455 0.4393282 -0.3555323 -2.0272717 -0.2211333 0.5005035 -0.2550905 -2.5830820 29 O -1.6167234 -0.3453455 -0.4393282 -0.3555323 -2.0272717 0.2211333 -0.5005035 0.2550905 -2.5830820 30 O -1.6167234 0.3453455 -0.4393282 0.3555323 -2.0272717 -0.2211333 -0.5005035 -0.2550905 -2.5830820 31 O -1.6167234 0.3453455 0.4393282 0.3555323 -2.0272717 0.2211333 0.5005035 0.2550905 -2.5830820 32 O -1.6167234 -0.3453455 0.4393282 -0.3555323 -2.0272717 -0.2211333 0.5005035 -0.2550905 -2.5830820 33 O -2.8023823 -0.1740317 -1.2954149 -0.2052226 -1.3124754 -0.1975050 -1.3332394 -0.2219692 -2.4166202 34 O -2.8023823 0.1740317 -1.2954149 0.2052226 -1.3124754 0.1975050 -1.3332394 0.2219692 -2.4166202 35 O -2.8023823 0.1740317 1.2954149 0.2052226 -1.3124754 -0.1975050 1.3332394 -0.2219692 -2.4166202 36 O -1.7963565 -0.7661660 0.0230021 -0.7772315 -2.3431664 0.0239099 -0.0391634 -0.0120092 -1.5178416 37 Na 1.1187038 0.0247014 0.0302703 -0.0481075 1.1647085 -0.0268834 -0.0013109 -0.0115184 1.0795917 38 Na 1.1187038 -0.0247014 0.0302703 0.0481075 1.1647085 0.0268834 -0.0013109 0.0115184 1.0795917 39 Na 1.1187038 -0.0247014 -0.0302703 0.0481075 1.1647085 -0.0268834 0.0013109 -0.0115184 1.0795917 40 Na 1.1187038 0.0247014 -0.0302703 -0.0481075 1.1647085 0.0268834 0.0013109 0.0115184 1.0795917 41 Na 1.1187038 0.0247014 0.0302703 -0.0481075 1.1647085 -0.0268834 -0.0013109 -0.0115184 1.0795917 42 Na 1.1187038 -0.0247014 0.0302703 0.0481075 1.1647085 0.0268834 -0.0013109 0.0115184 1.0795917 43 Na 1.1187038 -0.0247014 -0.0302703 0.0481075 1.1647085 -0.0268834 0.0013109 -0.0115184 1.0795917 44 Na 1.1187038 0.0247014 -0.0302703 -0.0481075 1.1647085 0.0268834 0.0013109 0.0115184 1.0795917 45 Si 3.6642933 -0.1307109 -0.5149567 0.1692465 3.3453735 0.1782295 -0.9384040 0.1972099 3.8190256 46 Si 3.6642933 0.1307109 -0.5149567 -0.1692465 3.3453735 -0.1782295 -0.9384040 -0.1972099 3.8190256 47 Si 3.6642933 0.1307109 0.5149567 -0.1692465 3.3453735 0.1782295 0.9384040 0.1972099 3.8190256 48 Si 3.6642933 -0.1307109 0.5149567 0.1692465 3.3453735 -0.1782295 0.9384040 -0.1972099 3.8190256 49 Si 3.6642933 -0.1307109 -0.5149567 0.1692465 3.3453735 0.1782295 -0.9384040 0.1972099 3.8190256 50 Si 3.6642933 0.1307109 -0.5149567 -0.1692465 3.3453735 -0.1782295 -0.9384040 -0.1972099 3.8190256 51 Si 3.6642933 0.1307109 0.5149567 -0.1692465 3.3453735 0.1782295 0.9384040 0.1972099 3.8190256 52 Si 3.6642933 -0.1307109 0.5149567 0.1692465 3.3453735 -0.1782295 0.9384040 -0.1972099 3.8190256 53 Ti 5.6227406 -0.8534591 -0.1814191 0.7707826 5.6658868 -0.1941045 0.7311832 -0.5829850 4.3365737 54 Ti 5.6227406 0.8534591 -0.1814191 -0.7707826 5.6658868 0.1941045 0.7311832 0.5829850 4.3365737 55 Ti 5.6227406 0.8534591 0.1814191 -0.7707826 5.6658868 -0.1941045 -0.7311832 -0.5829850 4.3365737 56 Ti 5.6227406 -0.8534591 0.1814191 0.7707826 5.6658868 0.1941045 -0.7311832 0.5829850 4.3365737 57 Ti 5.6227406 -0.8534591 -0.1814191 0.7707826 5.6658868 -0.1941045 0.7311832 -0.5829850 4.3365737 58 Ti 5.6227406 0.8534591 -0.1814191 -0.7707826 5.6658868 0.1941045 0.7311832 0.5829850 4.3365737 59 Ti 5.6227406 0.8534591 0.1814191 -0.7707826 5.6658868 -0.1941045 -0.7311832 -0.5829850 4.3365737 60 Ti 5.6227406 -0.8534591 0.1814191 0.7707826 5.6658868 0.1941045 -0.7311832 0.5829850 4.3365737 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 10 3 ] 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: 0.48, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.640 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.201 ( 0.000 0.000 0.000) 0.000 7.343 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.768 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.167 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.211 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.548 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.894 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 9.052 ( 0.000 0.000 0.000) 0.000 9.080 ( 0.000 0.000 0.000) 0.000 9.170 ( 0.000 0.000 0.000) 0.000 9.205 ( 0.000 0.000 0.000) 0.000 9.215 ( 0.000 0.000 0.000) 0.000 9.377 ( 0.000 0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 9.536 ( 0.000 0.000 0.000) 0.000 9.674 ( 0.000 0.000 0.000) 0.000 9.719 ( 0.000 0.000 0.000) 0.000 9.745 ( 0.000 0.000 0.000) 0.000 9.772 ( 0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 9.951 ( 0.000 0.000 0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 10.347 ( 0.000 0.000 0.000) 0.000 10.413 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 0.000) 0.000 10.700 ( 0.000 0.000 0.000) 0.000 10.829 ( 0.000 0.000 0.000) 0.000 10.860 ( 0.000 0.000 0.000) 0.000 10.918 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.129 ( 0.000 0.000 0.000) 0.000 11.150 ( 0.000 0.000 0.000) 0.000 11.164 ( 0.000 0.000 0.000) 0.000 11.200 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.824 ( 0.000 0.000 0.000) 0.000 11.864 ( 0.000 0.000 0.000) 0.000 12.319 ( 0.000 0.000 0.000) 0.000 12.372 ( 0.000 0.000 0.000) 0.000 12.424 ( 0.000 0.000 0.000) 0.000 12.607 ( 0.000 0.000 0.000) 0.000 12.725 ( 0.000 0.000 0.000) 0.000 12.776 ( 0.000 0.000 0.000) 0.000 13.369 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 13.874 ( 0.000 0.000 0.000) 0.000 14.112 ( 0.000 0.000 0.000) 0.000 14.176 ( 0.000 0.000 0.000) 0.000 14.180 ( 0.000 0.000 0.000) 0.000 14.315 ( 0.000 0.000 0.000) 0.000 14.320 ( 0.000 0.000 0.000) 0.000 14.353 ( 0.000 0.000 0.000) 0.000 14.465 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 14.548 ( 0.000 0.000 0.000) 0.000 14.549 ( 0.000 0.000 0.000) 0.000 14.609 ( 0.000 0.000 0.000) 0.000 14.698 ( 0.000 0.000 0.000) 0.000 14.711 ( 0.000 0.000 0.000) 0.000 14.738 ( 0.000 0.000 0.000) 0.000 14.765 ( 0.000 0.000 0.000) 0.000 15.177 ( 0.000 0.000 0.000) 0.000 15.421 ( 0.000 0.000 0.000) 0.000 15.451 ( 0.000 0.000 0.000) 0.000 15.767 ( 0.000 0.000 0.000) 0.000 16.646 ( 0.000 0.000 0.000) 0.000 16.815 ( 0.000 0.000 0.000) 0.000 17.539 ( 0.000 0.000 0.000) 0.000 17.599 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 0.000 0.000) 0.000 18.492 ( 0.000 0.000 0.000) 0.000 18.512 ( 0.000 0.000 0.000) 0.000 18.522 ( 0.000 0.000 0.000) 0.000 18.692 ( 0.000 0.000 0.000) 0.000 18.918 ( 0.000 0.000 0.000) 0.000 19.443 ( 0.000 0.000 0.000) 0.000 19.619 ( 0.000 0.000 0.000) 0.000 20.101 ( 0.000 0.000 0.000) 0.000 20.114 ( 0.000 0.000 0.000) 0.000 20.296 ( 0.000 0.000 0.000) 0.000 20.884 ( 0.000 0.000 0.000) 0.000 20.949 ( 0.000 0.000 0.000) 0.000 21.447 ( 0.000 0.000 0.000) 0.000 21.561 ( 0.000 0.000 0.000) 0.000 21.678 ( 0.000 0.000 0.000) 0.000 21.900 ( 0.000 0.000 0.000) 0.000 21.992 ( 0.000 0.000 0.000) 0.000 22.147 ( 0.000 0.000 0.000) 0.000 23.288 ( 0.000 0.000 0.000) 0.000 26.292 ( 0.000 0.000 0.000) 0.000 26.325 ( 0.000 0.000 0.000) 0.000 26.344 ( 0.000 0.000 0.000) 0.000 26.396 ( 0.000 0.000 0.000) 0.000 27.738 ( 0.000 0.000 0.000) 0.000 27.741 ( 0.000 0.000 0.000) 0.000 27.757 ( 0.000 0.000 0.000) 0.000 27.772 ( 0.000 0.000 0.000) 0.000 28.411 ( 0.000 0.000 0.000) 0.000 28.480 ( 0.000 0.000 0.000) 0.000 28.768 ( 0.000 0.000 0.000) 0.000 28.864 ( 0.000 0.000 0.000) 0.000 28.949 ( 0.000 0.000 0.000) 0.000 28.981 ( 0.000 0.000 0.000) 0.000 29.019 ( 0.000 0.000 0.000) 0.000 29.064 ( 0.000 0.000 0.000) 0.000 29.267 ( 0.000 0.000 0.000) 0.000 29.578 ( 0.000 0.000 0.000) 0.000 30.195 ( 0.000 0.000 0.000) 0.000 30.195 ( 0.000 0.000 0.000) 0.000 30.595 ( 0.000 0.000 0.000) 0.000 30.660 ( 0.000 0.000 0.000) 0.000 31.261 ( 0.000 0.000 0.000) 0.000 32.987 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 43.957 0.000 0.000) 43.957 0.947 ( 48.019 0.000 0.000) 48.019 1.542 ( 76.821 0.000 0.000) 76.821 2.187 ( 9.201 0.000 0.000) 9.201 2.590 ( 0.020 0.000 0.000) 0.020 2.727 ( 7.500 0.000 0.000) 7.500 3.118 ( -5.285 0.000 0.000) 5.285 3.134 ( -0.729 0.000 0.000) 0.729 3.287 ( 5.362 0.000 0.000) 5.362 3.322 ( 5.318 0.000 0.000) 5.318 3.554 ( -1.502 0.000 0.000) 1.502 3.812 ( 6.864 0.000 0.000) 6.864 4.019 ( 3.049 0.000 0.000) 3.049 4.043 ( -13.488 0.000 0.000) 13.488 4.056 ( 3.157 0.000 0.000) 3.157 4.252 ( -16.568 0.000 0.000) 16.568 4.286 ( -10.025 0.000 0.000) 10.025 4.513 ( 8.999 0.000 0.000) 8.999 4.578 ( -13.993 0.000 0.000) 13.993 4.694 ( 3.299 0.000 0.000) 3.299 4.753 ( 1.514 0.000 0.000) 1.514 4.755 ( 0.199 0.000 0.000) 0.199 4.794 ( -3.595 0.000 0.000) 3.595 4.831 ( -0.539 0.000 0.000) 0.539 5.000 ( 9.231 0.000 0.000) 9.231 5.076 ( -2.469 0.000 0.000) 2.469 5.139 ( 2.792 0.000 0.000) 2.792 5.179 ( 14.789 0.000 0.000) 14.789 5.278 ( 7.474 0.000 0.000) 7.474 5.297 ( 11.783 0.000 0.000) 11.783 5.343 ( -0.862 0.000 0.000) 0.862 5.420 ( 0.389 0.000 0.000) 0.389 5.590 ( 0.954 0.000 0.000) 0.954 5.649 ( -0.324 0.000 0.000) 0.324 5.651 ( -7.624 0.000 0.000) 7.624 5.776 ( 1.374 0.000 0.000) 1.374 5.847 ( 10.042 0.000 0.000) 10.042 5.949 ( -3.878 0.000 0.000) 3.878 5.985 ( -3.304 0.000 0.000) 3.304 6.134 ( -0.537 0.000 0.000) 0.537 6.159 ( -0.217 0.000 0.000) 0.217 6.278 ( 6.806 0.000 0.000) 6.806 6.286 ( -2.224 0.000 0.000) 2.224 6.511 ( -6.063 0.000 0.000) 6.063 6.591 ( 3.230 0.000 0.000) 3.230 6.618 ( 4.326 0.000 0.000) 4.326 6.647 ( -13.677 0.000 0.000) 13.677 6.653 ( -2.261 0.000 0.000) 2.261 6.841 ( 13.057 0.000 0.000) 13.057 6.921 ( 4.986 0.000 0.000) 4.986 7.114 ( -7.860 0.000 0.000) 7.860 7.175 ( -13.962 0.000 0.000) 13.962 7.243 ( -9.899 0.000 0.000) 9.899 7.273 ( 2.319 0.000 0.000) 2.319 7.317 ( -12.308 0.000 0.000) 12.308 7.347 ( -10.273 0.000 0.000) 10.273 7.444 ( -10.623 0.000 0.000) 10.623 7.505 ( 6.171 0.000 0.000) 6.171 7.714 ( 7.006 0.000 0.000) 7.006 7.822 ( 2.513 0.000 0.000) 2.513 7.874 ( -1.249 0.000 0.000) 1.249 7.881 ( -6.149 0.000 0.000) 6.149 7.902 ( 13.084 0.000 0.000) 13.084 7.940 ( -2.941 0.000 0.000) 2.941 8.014 ( -8.069 0.000 0.000) 8.069 8.077 ( -4.169 0.000 0.000) 4.169 8.152 ( -6.295 0.000 0.000) 6.295 8.215 ( 9.176 0.000 0.000) 9.176 8.241 ( 2.530 0.000 0.000) 2.530 8.249 ( -2.951 0.000 0.000) 2.951 8.585 ( -12.457 0.000 0.000) 12.457 8.660 ( 12.088 0.000 0.000) 12.088 8.761 ( -11.175 0.000 0.000) 11.175 9.097 ( 3.399 0.000 0.000) 3.399 9.116 ( 2.283 0.000 0.000) 2.283 9.153 ( 9.473 0.000 0.000) 9.473 9.195 ( -5.118 0.000 0.000) 5.118 9.215 ( 1.056 0.000 0.000) 1.056 9.383 ( 0.450 0.000 0.000) 0.450 9.421 ( -5.610 0.000 0.000) 5.610 9.521 ( 1.851 0.000 0.000) 1.851 9.630 ( -6.727 0.000 0.000) 6.727 9.643 ( -9.165 0.000 0.000) 9.165 9.809 ( 8.592 0.000 0.000) 8.592 9.862 ( 12.811 0.000 0.000) 12.811 9.893 ( -7.462 0.000 0.000) 7.462 9.897 ( -6.241 0.000 0.000) 6.241 10.103 ( 3.775 0.000 0.000) 3.775 10.190 ( 5.868 0.000 0.000) 5.868 10.194 ( -9.006 0.000 0.000) 9.006 10.408 ( -0.077 0.000 0.000) 0.077 10.471 ( -0.437 0.000 0.000) 0.437 10.767 ( -11.714 0.000 0.000) 11.714 10.789 ( 6.296 0.000 0.000) 6.296 10.839 ( -2.536 0.000 0.000) 2.536 10.898 ( -2.469 0.000 0.000) 2.469 11.074 ( -3.380 0.000 0.000) 3.380 11.077 ( -2.423 0.000 0.000) 2.423 11.088 ( -0.030 0.000 0.000) 0.030 11.136 ( -2.383 0.000 0.000) 2.383 11.311 ( 0.297 0.000 0.000) 0.297 11.374 ( -0.234 0.000 0.000) 0.234 11.742 ( -13.038 0.000 0.000) 13.038 11.808 ( -7.739 0.000 0.000) 7.739 12.286 ( 1.563 0.000 0.000) 1.563 12.298 ( 8.492 0.000 0.000) 8.492 12.714 ( 18.567 0.000 0.000) 18.567 12.777 ( 13.563 0.000 0.000) 13.563 12.817 ( 2.822 0.000 0.000) 2.822 13.267 ( -7.962 0.000 0.000) 7.962 13.555 ( 2.483 0.000 0.000) 2.483 13.653 ( -3.232 0.000 0.000) 3.232 13.926 ( 4.932 0.000 0.000) 4.932 14.099 ( -0.961 0.000 0.000) 0.961 14.142 ( -4.166 0.000 0.000) 4.166 14.166 ( -6.721 0.000 0.000) 6.721 14.334 ( 1.112 0.000 0.000) 1.112 14.435 ( 5.552 0.000 0.000) 5.552 14.495 ( 0.788 0.000 0.000) 0.788 14.519 ( 0.656 0.000 0.000) 0.656 14.529 ( -1.317 0.000 0.000) 1.317 14.588 ( -2.549 0.000 0.000) 2.549 14.602 ( -0.665 0.000 0.000) 0.665 14.700 ( 1.465 0.000 0.000) 1.465 14.805 ( 3.034 0.000 0.000) 3.034 14.826 ( 9.593 0.000 0.000) 9.593 14.901 ( 40.279 0.000 0.000) 40.279 15.257 ( 8.950 0.000 0.000) 8.950 15.396 ( -5.586 0.000 0.000) 5.586 15.501 ( 9.206 0.000 0.000) 9.206 15.724 ( -1.151 0.000 0.000) 1.151 16.590 ( -5.924 0.000 0.000) 5.924 16.819 ( 0.494 0.000 0.000) 0.494 17.614 ( 2.558 0.000 0.000) 2.558 17.618 ( 7.845 0.000 0.000) 7.845 17.985 ( -6.788 0.000 0.000) 6.788 18.452 ( -4.537 0.000 0.000) 4.537 18.496 ( 0.411 0.000 0.000) 0.411 18.552 ( 1.099 0.000 0.000) 1.099 18.796 ( 10.350 0.000 0.000) 10.350 18.983 ( 5.693 0.000 0.000) 5.693 19.367 ( -0.083 0.000 0.000) 0.083 19.507 ( 6.460 0.000 0.000) 6.460 19.571 ( -5.098 0.000 0.000) 5.098 19.879 ( -18.111 0.000 0.000) 18.111 20.029 ( -8.320 0.000 0.000) 8.320 20.242 ( -5.467 0.000 0.000) 5.467 20.556 ( -32.196 0.000 0.000) 32.196 21.130 ( 14.392 0.000 0.000) 14.392 21.511 ( 0.885 0.000 0.000) 0.885 21.566 ( 0.905 0.000 0.000) 0.905 21.689 ( 0.680 0.000 0.000) 0.680 21.990 ( 0.015 0.000 0.000) 0.015 22.196 ( 5.244 0.000 0.000) 5.244 22.280 ( -3.109 0.000 0.000) 3.109 23.136 ( -13.329 0.000 0.000) 13.329 26.342 ( 4.385 0.000 0.000) 4.385 26.374 ( 2.817 0.000 0.000) 2.817 26.439 ( 4.223 0.000 0.000) 4.223 26.649 ( 0.923 0.000 0.000) 0.923 27.738 ( 0.098 0.000 0.000) 0.098 27.739 ( -0.144 0.000 0.000) 0.144 27.754 ( -0.341 0.000 0.000) 0.341 27.769 ( -0.349 0.000 0.000) 0.349 28.434 ( -0.598 0.000 0.000) 0.598 28.453 ( 4.174 0.000 0.000) 4.174 28.764 ( -0.452 0.000 0.000) 0.452 28.904 ( -4.193 0.000 0.000) 4.193 28.971 ( -1.084 0.000 0.000) 1.084 29.040 ( 1.756 0.000 0.000) 1.756 29.205 ( -5.775 0.000 0.000) 5.775 29.375 ( 8.383 0.000 0.000) 8.383 29.614 ( 21.590 0.000 0.000) 21.590 30.061 ( 5.598 0.000 0.000) 5.598 30.288 ( 8.058 0.000 0.000) 8.058 30.596 ( 0.072 0.000 0.000) 0.072 30.618 ( -4.261 0.000 0.000) 4.261 31.299 ( 3.910 0.000 0.000) 3.910 31.858 ( -4.830 0.000 0.000) 4.830 32.713 ( -27.070 0.000 0.000) 27.070 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 40.949 0.000 0.000) 40.949 1.804 ( 39.974 0.000 0.000) 39.974 2.414 ( 13.543 0.000 0.000) 13.543 2.541 ( -4.536 0.000 0.000) 4.536 2.690 ( 22.664 0.000 0.000) 22.664 2.794 ( -3.546 0.000 0.000) 3.546 2.970 ( -7.195 0.000 0.000) 7.195 3.220 ( 13.731 0.000 0.000) 13.731 3.299 ( -13.297 0.000 0.000) 13.297 3.462 ( 26.321 0.000 0.000) 26.321 3.554 ( 2.859 0.000 0.000) 2.859 3.813 ( -9.226 0.000 0.000) 9.226 3.893 ( -18.885 0.000 0.000) 18.885 3.913 ( 3.282 0.000 0.000) 3.282 4.069 ( 3.204 0.000 0.000) 3.204 4.143 ( 3.725 0.000 0.000) 3.725 4.310 ( 10.488 0.000 0.000) 10.488 4.407 ( -1.283 0.000 0.000) 1.283 4.725 ( -1.001 0.000 0.000) 1.001 4.752 ( 2.692 0.000 0.000) 2.692 4.759 ( 1.065 0.000 0.000) 1.065 4.773 ( -0.581 0.000 0.000) 0.581 4.835 ( 21.283 0.000 0.000) 21.283 4.857 ( 2.451 0.000 0.000) 2.451 4.925 ( -11.991 0.000 0.000) 11.991 5.055 ( -4.544 0.000 0.000) 4.544 5.211 ( 4.085 0.000 0.000) 4.085 5.356 ( 4.026 0.000 0.000) 4.026 5.389 ( -6.703 0.000 0.000) 6.703 5.426 ( 8.404 0.000 0.000) 8.404 5.447 ( 8.160 0.000 0.000) 8.160 5.472 ( 6.530 0.000 0.000) 6.530 5.545 ( -9.405 0.000 0.000) 9.405 5.642 ( -1.271 0.000 0.000) 1.271 5.665 ( 6.543 0.000 0.000) 6.543 5.821 ( 3.225 0.000 0.000) 3.225 5.853 ( -6.520 0.000 0.000) 6.520 5.901 ( -0.494 0.000 0.000) 0.494 5.992 ( 1.962 0.000 0.000) 1.962 6.114 ( -4.012 0.000 0.000) 4.012 6.157 ( 5.037 0.000 0.000) 5.037 6.158 ( -13.766 0.000 0.000) 13.766 6.177 ( -9.791 0.000 0.000) 9.791 6.343 ( -6.805 0.000 0.000) 6.805 6.580 ( 3.315 0.000 0.000) 3.315 6.600 ( -2.828 0.000 0.000) 2.828 6.657 ( 1.888 0.000 0.000) 1.888 6.721 ( 1.073 0.000 0.000) 1.073 6.886 ( -8.893 0.000 0.000) 8.893 6.894 ( -6.234 0.000 0.000) 6.234 7.014 ( -12.150 0.000 0.000) 12.150 7.081 ( 5.816 0.000 0.000) 5.816 7.085 ( 10.413 0.000 0.000) 10.413 7.103 ( -8.658 0.000 0.000) 8.658 7.155 ( -9.241 0.000 0.000) 9.241 7.329 ( 2.077 0.000 0.000) 2.077 7.477 ( 14.419 0.000 0.000) 14.419 7.635 ( 6.273 0.000 0.000) 6.273 7.687 ( -14.235 0.000 0.000) 14.235 7.806 ( -0.053 0.000 0.000) 0.053 7.844 ( 1.769 0.000 0.000) 1.769 7.859 ( -5.846 0.000 0.000) 5.846 7.896 ( 4.660 0.000 0.000) 4.660 7.919 ( -11.972 0.000 0.000) 11.972 7.970 ( -7.089 0.000 0.000) 7.089 7.980 ( 5.378 0.000 0.000) 5.378 8.132 ( 6.171 0.000 0.000) 6.171 8.196 ( -2.215 0.000 0.000) 2.215 8.294 ( -0.033 0.000 0.000) 0.033 8.300 ( 4.079 0.000 0.000) 4.079 8.314 ( -13.306 0.000 0.000) 13.306 8.638 ( 0.594 0.000 0.000) 0.594 8.928 ( -20.543 0.000 0.000) 20.543 8.940 ( 14.196 0.000 0.000) 14.196 9.102 ( -6.488 0.000 0.000) 6.488 9.159 ( 2.850 0.000 0.000) 2.850 9.258 ( 3.449 0.000 0.000) 3.449 9.288 ( -7.540 0.000 0.000) 7.540 9.325 ( 2.054 0.000 0.000) 2.054 9.388 ( -0.503 0.000 0.000) 0.503 9.472 ( -2.254 0.000 0.000) 2.254 9.514 ( -0.815 0.000 0.000) 0.815 9.570 ( -0.178 0.000 0.000) 0.178 9.714 ( -9.490 0.000 0.000) 9.490 9.813 ( -0.334 0.000 0.000) 0.334 9.966 ( 5.784 0.000 0.000) 5.784 10.014 ( -0.209 0.000 0.000) 0.209 10.065 ( -4.133 0.000 0.000) 4.133 10.215 ( 9.055 0.000 0.000) 9.055 10.323 ( 6.260 0.000 0.000) 6.260 10.464 ( 4.454 0.000 0.000) 4.454 10.530 ( 4.266 0.000 0.000) 4.266 10.581 ( -0.996 0.000 0.000) 0.996 10.770 ( -3.685 0.000 0.000) 3.685 10.812 ( -5.936 0.000 0.000) 5.936 10.872 ( 0.935 0.000 0.000) 0.935 11.037 ( -0.394 0.000 0.000) 0.394 11.050 ( 0.882 0.000 0.000) 0.882 11.099 ( -1.195 0.000 0.000) 1.195 11.139 ( 2.426 0.000 0.000) 2.426 11.262 ( -3.925 0.000 0.000) 3.925 11.319 ( -4.509 0.000 0.000) 4.509 11.469 ( -13.363 0.000 0.000) 13.363 11.527 ( -16.745 0.000 0.000) 16.745 12.478 ( 13.731 0.000 0.000) 13.731 12.556 ( 15.723 0.000 0.000) 15.723 12.829 ( -2.408 0.000 0.000) 2.408 13.052 ( 14.475 0.000 0.000) 14.475 13.062 ( 17.164 0.000 0.000) 17.164 13.088 ( -10.888 0.000 0.000) 10.888 13.535 ( -5.303 0.000 0.000) 5.303 13.541 ( -8.937 0.000 0.000) 8.937 14.028 ( 4.400 0.000 0.000) 4.400 14.071 ( -1.942 0.000 0.000) 1.942 14.085 ( -1.305 0.000 0.000) 1.305 14.090 ( 0.056 0.000 0.000) 0.056 14.354 ( 1.095 0.000 0.000) 1.095 14.472 ( -0.010 0.000 0.000) 0.010 14.479 ( -3.061 0.000 0.000) 3.061 14.495 ( -1.541 0.000 0.000) 1.541 14.544 ( 0.133 0.000 0.000) 0.133 14.585 ( -1.038 0.000 0.000) 1.038 14.593 ( 3.255 0.000 0.000) 3.255 14.675 ( -1.943 0.000 0.000) 1.943 14.891 ( 6.751 0.000 0.000) 6.751 14.991 ( 7.077 0.000 0.000) 7.077 15.248 ( -9.388 0.000 0.000) 9.388 15.289 ( -4.453 0.000 0.000) 4.453 15.544 ( 20.134 0.000 0.000) 20.134 15.773 ( 17.999 0.000 0.000) 17.999 16.014 ( 17.735 0.000 0.000) 17.735 16.418 ( -12.086 0.000 0.000) 12.086 16.963 ( 23.501 0.000 0.000) 23.501 17.756 ( 14.531 0.000 0.000) 14.531 17.811 ( -11.272 0.000 0.000) 11.272 17.820 ( 12.773 0.000 0.000) 12.773 18.321 ( -9.645 0.000 0.000) 9.645 18.510 ( 1.069 0.000 0.000) 1.069 18.556 ( -0.644 0.000 0.000) 0.644 18.999 ( -13.833 0.000 0.000) 13.833 19.056 ( 15.745 0.000 0.000) 15.745 19.366 ( 0.228 0.000 0.000) 0.228 19.446 ( -3.925 0.000 0.000) 3.925 19.556 ( -13.276 0.000 0.000) 13.276 19.675 ( 10.541 0.000 0.000) 10.541 19.823 ( -12.307 0.000 0.000) 12.307 19.848 ( -33.161 0.000 0.000) 33.161 20.096 ( -9.530 0.000 0.000) 9.530 21.382 ( 10.455 0.000 0.000) 10.455 21.527 ( 0.498 0.000 0.000) 0.498 21.599 ( 2.377 0.000 0.000) 2.377 21.686 ( -1.165 0.000 0.000) 1.165 22.006 ( 2.135 0.000 0.000) 2.135 22.194 ( -5.583 0.000 0.000) 5.583 22.350 ( 10.613 0.000 0.000) 10.613 22.859 ( -14.633 0.000 0.000) 14.633 26.425 ( 3.579 0.000 0.000) 3.579 26.433 ( 2.819 0.000 0.000) 2.819 26.539 ( 5.487 0.000 0.000) 5.487 26.659 ( -0.230 0.000 0.000) 0.230 27.737 ( -0.076 0.000 0.000) 0.076 27.742 ( 0.271 0.000 0.000) 0.271 27.746 ( -0.481 0.000 0.000) 0.481 27.760 ( -0.550 0.000 0.000) 0.550 28.494 ( 6.210 0.000 0.000) 6.210 28.559 ( 6.488 0.000 0.000) 6.488 28.746 ( -1.747 0.000 0.000) 1.747 28.795 ( -7.113 0.000 0.000) 7.113 28.949 ( -0.592 0.000 0.000) 0.592 29.079 ( -6.670 0.000 0.000) 6.670 29.085 ( 3.115 0.000 0.000) 3.115 29.289 ( -7.323 0.000 0.000) 7.323 30.194 ( 7.901 0.000 0.000) 7.901 30.355 ( 43.605 0.000 0.000) 43.605 30.446 ( 7.738 0.000 0.000) 7.738 30.505 ( -7.269 0.000 0.000) 7.269 30.591 ( -0.895 0.000 0.000) 0.895 31.407 ( 7.204 0.000 0.000) 7.204 31.731 ( -8.065 0.000 0.000) 8.065 32.037 ( -41.124 0.000 0.000) 41.124 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -16.944 0.000 0.000) 16.944 2.380 ( 16.944 0.000 0.000) 16.944 2.386 ( -31.921 0.000 0.000) 31.921 2.386 ( 31.921 0.000 0.000) 31.921 2.669 ( -12.109 0.000 0.000) 12.109 2.669 ( 12.109 0.000 0.000) 12.109 2.980 ( -11.847 0.000 0.000) 11.847 2.980 ( 11.847 0.000 0.000) 11.847 3.532 ( -18.129 0.000 0.000) 18.129 3.532 ( 18.129 0.000 0.000) 18.129 3.643 ( -6.832 0.000 0.000) 6.832 3.643 ( 6.832 0.000 0.000) 6.832 4.042 ( -5.926 0.000 0.000) 5.926 4.042 ( 5.926 0.000 0.000) 5.926 4.120 ( -13.982 0.000 0.000) 13.982 4.120 ( 13.982 0.000 0.000) 13.982 4.566 ( -14.334 0.000 0.000) 14.334 4.566 ( 14.334 0.000 0.000) 14.334 4.614 ( -23.135 0.000 0.000) 23.135 4.614 ( 23.135 0.000 0.000) 23.135 4.782 ( -2.318 0.000 0.000) 2.318 4.782 ( 2.318 0.000 0.000) 2.318 4.875 ( -15.942 0.000 0.000) 15.942 4.875 ( 15.942 0.000 0.000) 15.942 4.942 ( -8.042 0.000 0.000) 8.042 4.942 ( 8.042 0.000 0.000) 8.042 5.211 ( -8.810 0.000 0.000) 8.810 5.211 ( 8.810 0.000 0.000) 8.810 5.507 ( -0.872 0.000 0.000) 0.872 5.507 ( 0.872 0.000 0.000) 0.872 5.512 ( -12.349 0.000 0.000) 12.349 5.512 ( 12.349 0.000 0.000) 12.349 5.537 ( -0.342 0.000 0.000) 0.342 5.537 ( 0.342 0.000 0.000) 0.342 5.801 ( -4.891 0.000 0.000) 4.891 5.801 ( 4.891 0.000 0.000) 4.891 5.899 ( -4.130 0.000 0.000) 4.130 5.899 ( 4.130 0.000 0.000) 4.130 5.981 ( -2.253 0.000 0.000) 2.253 5.981 ( 2.253 0.000 0.000) 2.253 6.038 ( -1.762 0.000 0.000) 1.762 6.038 ( 1.762 0.000 0.000) 1.762 6.270 ( -4.132 0.000 0.000) 4.132 6.270 ( 4.132 0.000 0.000) 4.132 6.576 ( -1.020 0.000 0.000) 1.020 6.576 ( 1.020 0.000 0.000) 1.020 6.646 ( -0.325 0.000 0.000) 0.325 6.646 ( 0.325 0.000 0.000) 0.325 6.844 ( -4.356 0.000 0.000) 4.356 6.844 ( 4.356 0.000 0.000) 4.356 6.981 ( -7.396 0.000 0.000) 7.396 6.981 ( 7.396 0.000 0.000) 7.396 7.065 ( -2.030 0.000 0.000) 2.030 7.065 ( 2.030 0.000 0.000) 2.030 7.368 ( -17.463 0.000 0.000) 17.463 7.368 ( 17.463 0.000 0.000) 17.463 7.547 ( -16.969 0.000 0.000) 16.969 7.547 ( 16.969 0.000 0.000) 16.969 7.727 ( -8.150 0.000 0.000) 8.150 7.727 ( 8.150 0.000 0.000) 8.150 7.780 ( -11.674 0.000 0.000) 11.674 7.780 ( 11.674 0.000 0.000) 11.674 7.872 ( -0.243 0.000 0.000) 0.243 7.872 ( 0.243 0.000 0.000) 0.243 8.047 ( -10.201 0.000 0.000) 10.201 8.047 ( 10.201 0.000 0.000) 10.201 8.148 ( -5.897 0.000 0.000) 5.897 8.148 ( 5.897 0.000 0.000) 5.897 8.251 ( -3.034 0.000 0.000) 3.034 8.251 ( 3.034 0.000 0.000) 3.034 8.469 ( -16.707 0.000 0.000) 16.707 8.469 ( 16.707 0.000 0.000) 16.707 8.861 ( -14.275 0.000 0.000) 14.275 8.861 ( 14.275 0.000 0.000) 14.275 9.146 ( -7.362 0.000 0.000) 7.362 9.146 ( 7.362 0.000 0.000) 7.362 9.231 ( -4.553 0.000 0.000) 4.553 9.231 ( 4.553 0.000 0.000) 4.553 9.343 ( -4.254 0.000 0.000) 4.254 9.343 ( 4.254 0.000 0.000) 4.254 9.550 ( -3.109 0.000 0.000) 3.109 9.550 ( 3.109 0.000 0.000) 3.109 9.560 ( -5.700 0.000 0.000) 5.700 9.560 ( 5.700 0.000 0.000) 5.700 9.907 ( -8.351 0.000 0.000) 8.351 9.907 ( 8.351 0.000 0.000) 8.351 10.024 ( -1.274 0.000 0.000) 1.274 10.024 ( 1.274 0.000 0.000) 1.274 10.359 ( -3.705 0.000 0.000) 3.705 10.359 ( 3.705 0.000 0.000) 3.705 10.518 ( -0.917 0.000 0.000) 0.917 10.518 ( 0.917 0.000 0.000) 0.917 10.735 ( -0.780 0.000 0.000) 0.780 10.735 ( 0.780 0.000 0.000) 0.780 10.772 ( -10.867 0.000 0.000) 10.867 10.772 ( 10.867 0.000 0.000) 10.867 11.081 ( -1.303 0.000 0.000) 1.303 11.081 ( 1.303 0.000 0.000) 1.303 11.095 ( -5.326 0.000 0.000) 5.326 11.095 ( 5.326 0.000 0.000) 5.326 11.284 ( -7.244 0.000 0.000) 7.244 11.284 ( 7.244 0.000 0.000) 7.244 11.289 ( -3.838 0.000 0.000) 3.838 11.289 ( 3.838 0.000 0.000) 3.838 12.713 ( -9.664 0.000 0.000) 9.664 12.713 ( 9.664 0.000 0.000) 9.664 12.847 ( -14.123 0.000 0.000) 14.123 12.847 ( 14.123 0.000 0.000) 14.123 13.321 ( -13.307 0.000 0.000) 13.307 13.321 ( 13.307 0.000 0.000) 13.307 13.355 ( -12.940 0.000 0.000) 12.940 13.355 ( 12.940 0.000 0.000) 12.940 14.065 ( -0.106 0.000 0.000) 0.106 14.065 ( 0.106 0.000 0.000) 0.106 14.089 ( -0.528 0.000 0.000) 0.528 14.089 ( 0.528 0.000 0.000) 0.528 14.395 ( -3.641 0.000 0.000) 3.641 14.395 ( 3.641 0.000 0.000) 3.641 14.482 ( -0.346 0.000 0.000) 0.346 14.482 ( 0.346 0.000 0.000) 0.346 14.564 ( -1.150 0.000 0.000) 1.150 14.564 ( 1.150 0.000 0.000) 1.150 14.637 ( -1.945 0.000 0.000) 1.945 14.637 ( 1.945 0.000 0.000) 1.945 15.057 ( -9.947 0.000 0.000) 9.947 15.057 ( 9.947 0.000 0.000) 9.947 15.133 ( -8.451 0.000 0.000) 8.451 15.133 ( 8.451 0.000 0.000) 8.451 15.935 ( -17.608 0.000 0.000) 17.608 15.935 ( 17.608 0.000 0.000) 17.608 16.129 ( -17.688 0.000 0.000) 17.688 16.129 ( 17.688 0.000 0.000) 17.688 17.522 ( -21.609 0.000 0.000) 21.609 17.522 ( 21.609 0.000 0.000) 21.609 18.085 ( -14.096 0.000 0.000) 14.096 18.085 ( 14.096 0.000 0.000) 14.096 18.318 ( -43.727 0.000 0.000) 43.727 18.318 ( 43.727 0.000 0.000) 43.727 18.535 ( -1.397 0.000 0.000) 1.397 18.535 ( 1.397 0.000 0.000) 1.397 19.364 ( -15.181 0.000 0.000) 15.181 19.364 ( 15.181 0.000 0.000) 15.181 19.397 ( -3.933 0.000 0.000) 3.933 19.397 ( 3.933 0.000 0.000) 3.933 19.597 ( -9.126 0.000 0.000) 9.126 19.597 ( 9.126 0.000 0.000) 9.126 19.891 ( -11.437 0.000 0.000) 11.437 19.891 ( 11.437 0.000 0.000) 11.437 21.509 ( -3.078 0.000 0.000) 3.078 21.509 ( 3.078 0.000 0.000) 3.078 21.648 ( -2.519 0.000 0.000) 2.519 21.648 ( 2.519 0.000 0.000) 2.519 22.082 ( -5.525 0.000 0.000) 5.525 22.082 ( 5.525 0.000 0.000) 5.525 22.587 ( -13.615 0.000 0.000) 13.615 22.587 ( 13.615 0.000 0.000) 13.615 26.462 ( -0.142 0.000 0.000) 0.142 26.462 ( 0.142 0.000 0.000) 0.142 26.627 ( -3.301 0.000 0.000) 3.301 26.627 ( 3.301 0.000 0.000) 3.301 27.738 ( -0.253 0.000 0.000) 0.253 27.738 ( 0.253 0.000 0.000) 0.253 27.749 ( -0.492 0.000 0.000) 0.492 27.749 ( 0.492 0.000 0.000) 0.492 28.642 ( -8.473 0.000 0.000) 8.473 28.642 ( 8.473 0.000 0.000) 8.473 28.679 ( -5.345 0.000 0.000) 5.345 28.679 ( 5.345 0.000 0.000) 5.345 28.975 ( -3.618 0.000 0.000) 3.618 28.975 ( 3.618 0.000 0.000) 3.618 29.165 ( -5.332 0.000 0.000) 5.332 29.165 ( 5.332 0.000 0.000) 5.332 30.352 ( -8.364 0.000 0.000) 8.364 30.352 ( 8.364 0.000 0.000) 8.364 30.550 ( -3.659 0.000 0.000) 3.659 30.550 ( 3.659 0.000 0.000) 3.659 31.207 ( -44.372 0.000 0.000) 44.372 31.207 ( 44.372 0.000 0.000) 44.372 31.564 ( -8.839 0.000 0.000) 8.839 31.564 ( 8.839 0.000 0.000) 8.839 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.000 36.755 0.000) 36.755 0.855 ( 0.000 44.533 0.000) 44.533 1.497 ( 0.000 75.975 0.000) 75.975 2.569 ( 0.000 41.370 0.000) 41.370 2.668 ( 0.000 9.577 0.000) 9.577 2.784 ( 0.000 13.904 0.000) 13.904 3.076 ( 0.000 -5.064 0.000) 5.064 3.293 ( 0.000 6.497 0.000) 6.497 3.508 ( 0.000 29.891 0.000) 29.891 3.661 ( 0.000 31.662 0.000) 31.662 3.711 ( 0.000 14.345 0.000) 14.345 3.862 ( 0.000 8.922 0.000) 8.922 3.952 ( 0.000 -2.437 0.000) 2.437 4.037 ( 0.000 1.132 0.000) 1.132 4.343 ( 0.000 14.590 0.000) 14.590 4.394 ( 0.000 -2.550 0.000) 2.550 4.610 ( 0.000 -3.325 0.000) 3.325 4.629 ( 0.000 11.019 0.000) 11.019 4.702 ( 0.000 -7.183 0.000) 7.183 4.743 ( 0.000 -0.306 0.000) 0.306 4.766 ( 0.000 -0.306 0.000) 0.306 4.787 ( 0.000 1.878 0.000) 1.878 4.802 ( 0.000 27.792 0.000) 27.792 4.908 ( 0.000 17.502 0.000) 17.502 4.945 ( 0.000 -1.408 0.000) 1.408 5.008 ( 0.000 4.550 0.000) 4.550 5.049 ( 0.000 -2.901 0.000) 2.901 5.122 ( 0.000 -4.122 0.000) 4.122 5.167 ( 0.000 3.153 0.000) 3.153 5.179 ( 0.000 12.505 0.000) 12.505 5.486 ( 0.000 9.314 0.000) 9.314 5.499 ( 0.000 -4.693 0.000) 4.693 5.528 ( 0.000 1.452 0.000) 1.452 5.625 ( 0.000 -4.056 0.000) 4.056 5.644 ( 0.000 3.990 0.000) 3.990 5.744 ( 0.000 -2.216 0.000) 2.216 5.895 ( 0.000 -4.061 0.000) 4.061 5.896 ( 0.000 7.132 0.000) 7.132 5.943 ( 0.000 -6.339 0.000) 6.339 6.069 ( 0.000 -4.349 0.000) 4.349 6.115 ( 0.000 -5.853 0.000) 5.853 6.223 ( 0.000 -6.610 0.000) 6.610 6.373 ( 0.000 3.199 0.000) 3.199 6.527 ( 0.000 -2.561 0.000) 2.561 6.543 ( 0.000 -2.265 0.000) 2.265 6.560 ( 0.000 -7.099 0.000) 7.099 6.562 ( 0.000 -0.810 0.000) 0.810 6.671 ( 0.000 4.219 0.000) 4.219 6.739 ( 0.000 -2.108 0.000) 2.108 6.931 ( 0.000 0.937 0.000) 0.937 7.212 ( 0.000 2.068 0.000) 2.068 7.274 ( 0.000 3.031 0.000) 3.031 7.314 ( 0.000 -3.268 0.000) 3.268 7.395 ( 0.000 -16.374 0.000) 16.374 7.434 ( 0.000 0.607 0.000) 0.607 7.471 ( 0.000 -8.694 0.000) 8.694 7.488 ( 0.000 -1.743 0.000) 1.743 7.507 ( 0.000 2.642 0.000) 2.642 7.617 ( 0.000 1.044 0.000) 1.044 7.677 ( 0.000 -0.254 0.000) 0.254 7.758 ( 0.000 -0.759 0.000) 0.759 7.817 ( 0.000 -3.061 0.000) 3.061 7.844 ( 0.000 -1.798 0.000) 1.798 7.896 ( 0.000 -5.072 0.000) 5.072 8.101 ( 0.000 -3.765 0.000) 3.765 8.104 ( 0.000 8.620 0.000) 8.620 8.163 ( 0.000 -4.295 0.000) 4.295 8.290 ( 0.000 8.767 0.000) 8.767 8.358 ( 0.000 5.549 0.000) 5.549 8.427 ( 0.000 9.447 0.000) 9.447 8.525 ( 0.000 0.904 0.000) 0.904 8.741 ( 0.000 -14.454 0.000) 14.454 8.802 ( 0.000 6.038 0.000) 6.038 8.921 ( 0.000 -10.868 0.000) 10.868 9.078 ( 0.000 -2.106 0.000) 2.106 9.083 ( 0.000 -6.844 0.000) 6.844 9.159 ( 0.000 -10.626 0.000) 10.626 9.199 ( 0.000 -1.668 0.000) 1.668 9.245 ( 0.000 0.663 0.000) 0.663 9.292 ( 0.000 -6.347 0.000) 6.347 9.439 ( 0.000 -4.081 0.000) 4.081 9.583 ( 0.000 2.997 0.000) 2.997 9.759 ( 0.000 0.747 0.000) 0.747 9.764 ( 0.000 6.544 0.000) 6.544 9.772 ( 0.000 4.871 0.000) 4.871 9.839 ( 0.000 5.102 0.000) 5.102 9.992 ( 0.000 4.688 0.000) 4.688 9.996 ( 0.000 4.115 0.000) 4.115 10.136 ( 0.000 -0.861 0.000) 0.861 10.333 ( 0.000 -7.485 0.000) 7.485 10.372 ( 0.000 -3.533 0.000) 3.533 10.443 ( 0.000 -3.971 0.000) 3.971 10.633 ( 0.000 -4.135 0.000) 4.135 10.791 ( 0.000 -16.337 0.000) 16.337 10.832 ( 0.000 -11.874 0.000) 11.874 10.835 ( 0.000 -4.220 0.000) 4.220 10.872 ( 0.000 -3.225 0.000) 3.225 10.928 ( 0.000 5.909 0.000) 5.909 11.151 ( 0.000 0.330 0.000) 0.330 11.214 ( 0.000 -2.447 0.000) 2.447 11.249 ( 0.000 0.728 0.000) 0.728 11.396 ( 0.000 9.082 0.000) 9.082 12.234 ( 0.000 10.072 0.000) 10.072 12.292 ( 0.000 0.112 0.000) 0.112 12.400 ( 0.000 -2.224 0.000) 2.224 12.532 ( 0.000 31.906 0.000) 31.906 12.578 ( 0.000 -2.608 0.000) 2.608 12.706 ( 0.000 -1.896 0.000) 1.896 12.774 ( 0.000 -0.786 0.000) 0.786 13.312 ( 0.000 -2.350 0.000) 2.350 13.619 ( 0.000 12.555 0.000) 12.555 13.693 ( 0.000 2.059 0.000) 2.059 14.081 ( 0.000 3.952 0.000) 3.952 14.088 ( 0.000 -2.417 0.000) 2.417 14.125 ( 0.000 -4.907 0.000) 4.907 14.203 ( 0.000 0.179 0.000) 0.179 14.273 ( 0.000 -7.479 0.000) 7.479 14.296 ( 0.000 -4.320 0.000) 4.320 14.312 ( 0.000 -0.496 0.000) 0.496 14.376 ( 0.000 -4.577 0.000) 4.577 14.428 ( 0.000 -0.668 0.000) 0.668 14.472 ( 0.000 -7.272 0.000) 7.272 14.599 ( 0.000 3.633 0.000) 3.633 14.608 ( 0.000 1.167 0.000) 1.167 14.821 ( 0.000 11.502 0.000) 11.502 14.914 ( 0.000 14.004 0.000) 14.004 14.990 ( 0.000 24.917 0.000) 24.917 15.118 ( 0.000 -3.983 0.000) 3.983 15.392 ( 0.000 0.065 0.000) 0.065 15.577 ( 0.000 10.459 0.000) 10.459 15.586 ( 0.000 15.562 0.000) 15.562 16.420 ( 0.000 -22.571 0.000) 22.571 16.536 ( 0.000 -26.478 0.000) 26.478 17.263 ( 0.000 -4.305 0.000) 4.305 17.531 ( 0.000 1.128 0.000) 1.128 17.694 ( 0.000 6.028 0.000) 6.028 18.069 ( 0.000 1.030 0.000) 1.030 18.418 ( 0.000 -10.478 0.000) 10.478 18.485 ( 0.000 -2.792 0.000) 2.792 18.563 ( 0.000 7.220 0.000) 7.220 18.840 ( 0.000 -7.227 0.000) 7.227 19.424 ( 0.000 -1.175 0.000) 1.175 19.569 ( 0.000 -5.142 0.000) 5.142 19.876 ( 0.000 -7.268 0.000) 7.268 20.274 ( 0.000 15.994 0.000) 15.994 20.329 ( 0.000 5.111 0.000) 5.111 20.782 ( 0.000 -10.934 0.000) 10.934 20.899 ( 0.000 -4.818 0.000) 4.818 21.392 ( 0.000 -11.301 0.000) 11.301 21.533 ( 0.000 -6.462 0.000) 6.462 21.562 ( 0.000 0.161 0.000) 0.161 21.735 ( 0.000 2.910 0.000) 2.910 21.902 ( 0.000 -1.318 0.000) 1.318 21.983 ( 0.000 -0.965 0.000) 0.965 22.204 ( 0.000 4.272 0.000) 4.272 22.946 ( 0.000 -29.498 0.000) 29.498 26.333 ( 0.000 4.740 0.000) 4.740 26.340 ( 0.000 4.227 0.000) 4.227 26.485 ( 0.000 11.401 0.000) 11.401 26.504 ( 0.000 10.105 0.000) 10.105 27.747 ( 0.000 -1.569 0.000) 1.569 27.762 ( 0.000 -1.626 0.000) 1.626 27.969 ( 0.000 18.254 0.000) 18.254 28.405 ( 0.000 -0.728 0.000) 0.728 28.481 ( 0.000 -0.019 0.000) 0.019 28.787 ( 0.000 -4.931 0.000) 4.931 28.822 ( 0.000 5.946 0.000) 5.946 28.895 ( 0.000 -5.484 0.000) 5.484 28.916 ( 0.000 -1.029 0.000) 1.029 29.047 ( 0.000 6.981 0.000) 6.981 29.169 ( 0.000 7.299 0.000) 7.299 29.224 ( 0.000 -2.542 0.000) 2.542 29.608 ( 0.000 4.197 0.000) 4.197 30.235 ( 0.000 4.019 0.000) 4.019 30.238 ( 0.000 4.200 0.000) 4.200 30.295 ( 0.000 4.995 0.000) 4.995 30.572 ( 0.000 -2.035 0.000) 2.035 30.627 ( 0.000 -3.061 0.000) 3.061 31.192 ( 0.000 -6.962 0.000) 6.962 32.739 ( 0.000 -25.128 0.000) 25.128 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 33.480 21.848 0.000) 39.978 1.511 ( 40.330 33.652 0.000) 52.526 1.974 ( 50.490 49.048 0.000) 70.391 2.623 ( 4.944 34.238 0.000) 34.593 2.744 ( 6.356 17.469 0.000) 18.589 2.791 ( 4.096 8.542 0.000) 9.473 3.171 ( 6.740 0.404 0.000) 6.752 3.266 ( -4.444 6.823 0.000) 8.143 3.505 ( 0.737 28.233 0.000) 28.242 3.665 ( -1.756 22.269 0.000) 22.338 3.703 ( 1.979 19.960 0.000) 20.058 3.906 ( 6.164 9.235 0.000) 11.103 3.994 ( 4.020 -2.674 0.000) 4.828 4.044 ( -1.401 0.358 0.000) 1.446 4.166 ( -11.654 13.753 0.000) 18.027 4.402 ( -16.949 11.191 0.000) 20.310 4.464 ( -0.365 1.659 0.000) 1.699 4.547 ( -11.042 1.807 0.000) 11.189 4.563 ( -4.918 12.176 0.000) 13.132 4.673 ( 2.604 0.283 0.000) 2.620 4.705 ( -3.511 1.335 0.000) 3.756 4.720 ( 4.145 -1.971 0.000) 4.590 4.885 ( -1.421 7.986 0.000) 8.111 4.976 ( -1.747 12.308 0.000) 12.431 5.001 ( 7.563 1.520 0.000) 7.714 5.043 ( 0.787 -2.698 0.000) 2.811 5.147 ( 2.105 0.710 0.000) 2.221 5.180 ( 9.662 0.073 0.000) 9.662 5.265 ( 7.801 -1.486 0.000) 7.941 5.325 ( 13.589 9.420 0.000) 16.535 5.434 ( -1.178 5.336 0.000) 5.465 5.445 ( -5.100 4.251 0.000) 6.640 5.556 ( 3.251 -2.383 0.000) 4.031 5.579 ( -3.186 -3.602 0.000) 4.809 5.732 ( 1.192 -3.914 0.000) 4.092 5.799 ( -0.189 10.178 0.000) 10.180 5.856 ( 12.181 1.328 0.000) 12.254 5.886 ( -2.827 -5.105 0.000) 5.836 5.948 ( -4.154 -3.383 0.000) 5.358 6.050 ( -1.488 -3.084 0.000) 3.424 6.201 ( 4.979 -4.893 0.000) 6.982 6.249 ( -4.739 3.415 0.000) 5.841 6.274 ( 4.554 -4.847 0.000) 6.651 6.463 ( -6.816 -5.693 0.000) 8.881 6.553 ( 1.097 -3.321 0.000) 3.498 6.602 ( -1.657 -0.143 0.000) 1.663 6.632 ( 2.613 -1.559 0.000) 3.042 6.665 ( -8.848 2.331 0.000) 9.150 6.743 ( 11.503 -4.554 0.000) 12.371 6.963 ( 0.914 -2.540 0.000) 2.700 7.130 ( -8.893 1.474 0.000) 9.014 7.176 ( -14.545 -8.746 0.000) 16.972 7.203 ( -16.626 4.974 0.000) 17.354 7.247 ( -7.168 -4.681 0.000) 8.561 7.321 ( 4.958 3.572 0.000) 6.111 7.343 ( -10.231 -0.749 0.000) 10.259 7.498 ( -0.795 3.956 0.000) 4.035 7.568 ( 1.562 5.092 0.000) 5.326 7.597 ( 6.506 -11.097 0.000) 12.863 7.758 ( -3.186 -6.129 0.000) 6.908 7.806 ( -5.064 -4.963 0.000) 7.090 7.827 ( 3.385 -3.690 0.000) 5.008 7.837 ( 3.998 2.049 0.000) 4.493 7.989 ( 7.370 -6.507 0.000) 9.832 7.991 ( -0.690 -2.293 0.000) 2.394 8.105 ( -3.444 -2.009 0.000) 3.987 8.152 ( -2.039 5.838 0.000) 6.184 8.196 ( -6.735 11.001 0.000) 12.899 8.377 ( 1.774 10.550 0.000) 10.698 8.431 ( 1.844 7.253 0.000) 7.484 8.615 ( 9.977 -4.195 0.000) 10.823 8.643 ( -14.398 3.190 0.000) 14.747 8.757 ( -8.148 -2.533 0.000) 8.533 9.026 ( 4.164 -7.472 0.000) 8.554 9.043 ( 8.154 -9.348 0.000) 12.404 9.142 ( 5.618 0.898 0.000) 5.690 9.204 ( -0.865 -3.010 0.000) 3.132 9.216 ( 0.198 -2.852 0.000) 2.859 9.311 ( 2.437 -6.448 0.000) 6.893 9.394 ( -4.728 -9.916 0.000) 10.986 9.510 ( 1.968 -2.202 0.000) 2.953 9.532 ( 3.897 -0.562 0.000) 3.938 9.689 ( -5.809 4.684 0.000) 7.462 9.735 ( -4.661 -5.906 0.000) 7.523 9.783 ( 0.788 -2.812 0.000) 2.921 9.946 ( 10.234 7.408 0.000) 12.634 9.948 ( -1.269 6.297 0.000) 6.424 10.049 ( 0.628 0.113 0.000) 0.638 10.165 ( -11.517 -3.833 0.000) 12.138 10.205 ( 6.448 1.894 0.000) 6.721 10.384 ( 4.918 -3.683 0.000) 6.144 10.422 ( -1.164 -4.211 0.000) 4.369 10.696 ( 2.306 -10.453 0.000) 10.704 10.730 ( -5.814 -3.772 0.000) 6.931 10.850 ( -0.092 -4.788 0.000) 4.789 10.861 ( 3.169 -7.472 0.000) 8.116 10.875 ( -4.280 3.781 0.000) 5.711 10.927 ( 4.541 -7.076 0.000) 8.408 11.154 ( -0.127 2.589 0.000) 2.592 11.171 ( -2.770 -1.460 0.000) 3.131 11.244 ( -1.012 -1.690 0.000) 1.970 11.415 ( 0.043 5.170 0.000) 5.170 11.956 ( -17.812 11.113 0.000) 20.994 12.054 ( -20.882 7.447 0.000) 22.170 12.462 ( -4.879 14.327 0.000) 15.135 12.532 ( 2.683 22.484 0.000) 22.644 12.666 ( 16.159 -3.767 0.000) 16.592 12.741 ( 12.194 -2.947 0.000) 12.545 12.830 ( 3.883 0.760 0.000) 3.957 13.268 ( -5.859 -3.424 0.000) 6.786 13.577 ( -3.928 3.484 0.000) 5.250 13.630 ( -5.574 -1.893 0.000) 5.887 13.933 ( -0.884 2.388 0.000) 2.547 14.062 ( -2.128 -3.823 0.000) 4.376 14.096 ( -3.418 -4.347 0.000) 5.530 14.141 ( -6.558 -3.553 0.000) 7.458 14.295 ( 2.449 -5.835 0.000) 6.328 14.376 ( 9.299 -2.125 0.000) 9.538 14.428 ( -0.294 -1.955 0.000) 1.977 14.474 ( 5.565 -2.793 0.000) 6.226 14.568 ( 0.222 -2.501 0.000) 2.510 14.620 ( 6.888 -2.826 0.000) 7.446 14.663 ( 2.553 5.483 0.000) 6.048 14.703 ( 0.135 6.083 0.000) 6.084 14.797 ( 12.602 7.976 0.000) 14.914 14.974 ( 8.708 10.707 0.000) 13.801 15.171 ( 5.019 -4.567 0.000) 6.786 15.187 ( 23.954 22.612 0.000) 32.941 15.404 ( 1.908 -3.338 0.000) 3.845 15.532 ( -4.345 10.376 0.000) 11.249 15.831 ( 11.452 9.781 0.000) 15.061 16.375 ( -4.664 -21.253 0.000) 21.758 16.444 ( 1.097 -28.630 0.000) 28.651 17.589 ( 9.476 -4.002 0.000) 10.287 17.637 ( 7.998 -6.484 0.000) 10.296 17.886 ( 27.822 -17.300 0.000) 32.762 17.997 ( -6.998 0.658 0.000) 7.029 18.388 ( -2.881 -8.996 0.000) 9.446 18.478 ( -1.693 -4.929 0.000) 5.211 18.584 ( 2.279 8.356 0.000) 8.661 18.864 ( 1.413 -10.179 0.000) 10.277 19.449 ( 1.224 -3.980 0.000) 4.164 19.539 ( -1.970 -4.214 0.000) 4.652 19.740 ( -11.964 -3.674 0.000) 12.515 20.065 ( -16.137 15.846 0.000) 22.616 20.262 ( -6.789 4.372 0.000) 8.075 20.551 ( -24.392 -0.923 0.000) 24.409 20.817 ( -36.890 42.355 0.000) 56.168 21.065 ( 14.073 -6.271 0.000) 15.407 21.464 ( 1.222 -8.405 0.000) 8.494 21.559 ( 0.061 -5.376 0.000) 5.377 21.570 ( 0.727 0.062 0.000) 0.730 21.935 ( -2.384 -5.112 0.000) 5.641 22.076 ( 6.570 -7.223 0.000) 9.764 22.330 ( 2.027 -0.017 0.000) 2.027 22.905 ( -4.645 -20.195 0.000) 20.722 26.387 ( 4.943 4.891 0.000) 6.954 26.415 ( 4.065 3.877 0.000) 5.617 26.537 ( 3.149 9.258 0.000) 9.779 26.611 ( 8.201 4.090 0.000) 9.164 27.746 ( -0.083 -1.325 0.000) 1.327 27.759 ( -0.236 -1.494 0.000) 1.513 27.908 ( -5.149 13.710 0.000) 14.645 28.098 ( -22.291 16.624 0.000) 27.808 28.432 ( -0.072 -0.133 0.000) 0.151 28.485 ( 2.896 3.731 0.000) 4.724 28.817 ( -0.382 5.726 0.000) 5.738 28.944 ( -4.701 3.914 0.000) 6.117 28.970 ( 0.876 0.200 0.000) 0.899 29.081 ( 2.859 4.612 0.000) 5.426 29.222 ( -4.671 0.934 0.000) 4.764 29.460 ( 12.097 8.410 0.000) 14.733 29.570 ( 14.029 -3.700 0.000) 14.509 30.112 ( 3.915 5.445 0.000) 6.706 30.322 ( 7.116 3.239 0.000) 7.819 30.560 ( 0.721 -3.813 0.000) 3.880 30.598 ( -3.001 -1.788 0.000) 3.494 31.199 ( 30.135 -37.913 0.000) 48.430 31.219 ( 2.758 -8.056 0.000) 8.515 32.488 ( -24.823 -22.616 0.000) 33.581 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 37.028 10.798 0.000) 38.570 2.188 ( 31.036 29.814 0.000) 43.036 2.706 ( 2.316 20.734 0.000) 20.863 2.820 ( 12.566 12.531 0.000) 17.747 2.868 ( 6.705 32.618 0.000) 33.301 2.961 ( -1.510 14.784 0.000) 14.861 3.187 ( 1.052 11.359 0.000) 11.408 3.252 ( 20.330 17.080 0.000) 26.553 3.527 ( -14.545 17.486 0.000) 22.745 3.673 ( 22.532 18.132 0.000) 28.922 3.789 ( 1.849 25.276 0.000) 25.343 3.912 ( -0.583 0.705 0.000) 0.915 3.958 ( -2.650 9.182 0.000) 9.557 4.047 ( -13.267 11.617 0.000) 17.634 4.078 ( 2.502 -0.508 0.000) 2.553 4.154 ( -0.882 4.023 0.000) 4.118 4.315 ( -4.680 6.820 0.000) 8.271 4.443 ( 3.059 4.939 0.000) 5.809 4.689 ( 4.876 -5.467 0.000) 7.325 4.721 ( 0.304 1.796 0.000) 1.822 4.743 ( -1.850 -2.756 0.000) 3.320 4.813 ( 14.659 2.913 0.000) 14.946 4.865 ( 2.552 4.892 0.000) 5.518 4.916 ( -10.342 -0.675 0.000) 10.364 4.977 ( 2.771 13.661 0.000) 13.939 5.079 ( -1.569 4.291 0.000) 4.569 5.242 ( 5.000 2.648 0.000) 5.658 5.336 ( -5.645 -2.386 0.000) 6.128 5.351 ( 9.319 -3.329 0.000) 9.896 5.438 ( 4.288 -2.989 0.000) 5.227 5.446 ( 2.802 6.361 0.000) 6.951 5.519 ( -1.107 -0.628 0.000) 1.273 5.561 ( 8.637 8.149 0.000) 11.874 5.656 ( 6.043 -1.394 0.000) 6.202 5.745 ( -11.341 7.370 0.000) 13.525 5.757 ( 2.338 -4.631 0.000) 5.187 5.809 ( -6.142 -5.540 0.000) 8.272 5.893 ( 4.161 2.526 0.000) 4.868 6.014 ( -2.310 -0.578 0.000) 2.381 6.077 ( 8.925 1.755 0.000) 9.096 6.155 ( -8.125 0.163 0.000) 8.127 6.173 ( -2.385 -0.791 0.000) 2.512 6.227 ( -14.420 2.119 0.000) 14.575 6.327 ( -2.654 -1.716 0.000) 3.160 6.547 ( -2.705 -4.346 0.000) 5.118 6.559 ( 1.158 -0.254 0.000) 1.185 6.597 ( -0.359 -9.167 0.000) 9.174 6.653 ( 0.196 -0.807 0.000) 0.830 6.878 ( -6.135 -2.060 0.000) 6.472 6.902 ( -12.414 -8.478 0.000) 15.032 6.931 ( -9.984 -2.008 0.000) 10.184 7.021 ( 5.975 0.545 0.000) 6.000 7.059 ( 10.188 -2.143 0.000) 10.411 7.091 ( -8.370 -3.343 0.000) 9.013 7.161 ( -7.414 1.293 0.000) 7.526 7.353 ( 0.708 2.192 0.000) 2.304 7.550 ( 8.387 6.334 0.000) 10.510 7.583 ( -12.550 -10.326 0.000) 16.251 7.665 ( -3.043 -10.453 0.000) 10.887 7.672 ( 6.040 4.172 0.000) 7.341 7.784 ( 6.576 -4.720 0.000) 8.094 7.839 ( -2.437 -0.078 0.000) 2.438 7.901 ( 2.488 1.734 0.000) 3.032 7.982 ( -5.879 3.807 0.000) 7.004 8.014 ( -5.099 3.864 0.000) 6.398 8.072 ( 1.962 -8.260 0.000) 8.490 8.099 ( -4.567 -0.086 0.000) 4.567 8.200 ( 10.041 14.728 0.000) 17.825 8.323 ( -15.715 0.324 0.000) 15.718 8.421 ( 3.503 14.416 0.000) 14.835 8.482 ( 2.405 7.335 0.000) 7.719 8.682 ( 2.940 2.427 0.000) 3.812 8.851 ( 12.451 -7.632 0.000) 14.604 8.964 ( -15.985 0.261 0.000) 15.987 9.062 ( -5.663 -3.978 0.000) 6.921 9.168 ( -3.964 -4.145 0.000) 5.735 9.223 ( -5.590 3.346 0.000) 6.515 9.235 ( 2.416 -7.455 0.000) 7.836 9.270 ( 2.995 -1.642 0.000) 3.415 9.321 ( -0.496 -9.971 0.000) 9.983 9.453 ( -2.917 -4.283 0.000) 5.182 9.586 ( -2.434 -1.691 0.000) 2.964 9.621 ( 0.776 10.720 0.000) 10.748 9.649 ( -0.403 -1.598 0.000) 1.648 9.802 ( 0.720 0.321 0.000) 0.788 9.955 ( -5.211 -3.713 0.000) 6.399 9.980 ( 2.508 1.603 0.000) 2.976 10.016 ( -1.741 -7.581 0.000) 7.779 10.207 ( 9.684 3.578 0.000) 10.324 10.331 ( 4.294 -0.007 0.000) 4.294 10.452 ( 5.444 -6.750 0.000) 8.672 10.492 ( 3.833 -2.168 0.000) 4.404 10.622 ( -3.218 4.004 0.000) 5.137 10.724 ( 1.475 -7.178 0.000) 7.328 10.768 ( -4.909 -3.349 0.000) 5.943 10.826 ( -2.238 0.776 0.000) 2.369 10.962 ( 5.730 -3.201 0.000) 6.563 10.987 ( 1.935 -7.870 0.000) 8.105 11.137 ( -1.733 -2.909 0.000) 3.386 11.141 ( -1.854 3.034 0.000) 3.556 11.227 ( 0.743 -0.042 0.000) 0.744 11.370 ( -2.978 5.761 0.000) 6.485 11.632 ( -15.100 12.689 0.000) 19.723 11.638 ( -20.370 9.705 0.000) 22.564 12.553 ( 9.946 6.098 0.000) 11.667 12.661 ( 9.863 9.264 0.000) 13.532 12.838 ( -0.640 0.870 0.000) 1.080 12.985 ( 12.127 -5.666 0.000) 13.386 12.989 ( 14.381 -6.960 0.000) 15.976 13.114 ( -8.953 0.955 0.000) 9.003 13.460 ( -8.421 -6.265 0.000) 10.496 13.484 ( -9.988 -5.288 0.000) 11.302 13.973 ( 3.090 -3.661 0.000) 4.791 14.017 ( -1.811 -6.820 0.000) 7.056 14.052 ( -0.614 -2.276 0.000) 2.357 14.060 ( -2.032 -3.650 0.000) 4.178 14.362 ( 4.339 -1.178 0.000) 4.496 14.422 ( 0.731 -0.650 0.000) 0.978 14.499 ( 1.286 -0.434 0.000) 1.357 14.562 ( 1.333 2.675 0.000) 2.989 14.570 ( 3.139 0.174 0.000) 3.144 14.586 ( -6.869 5.705 0.000) 8.929 14.657 ( -0.109 3.984 0.000) 3.986 14.676 ( 0.003 6.869 0.000) 6.869 15.035 ( 9.013 12.923 0.000) 15.756 15.149 ( 6.048 14.006 0.000) 15.256 15.296 ( 1.255 -0.093 0.000) 1.259 15.385 ( -4.442 6.558 0.000) 7.920 15.501 ( 9.008 -0.272 0.000) 9.012 15.654 ( 17.867 -7.543 0.000) 19.394 15.985 ( 1.273 -8.125 0.000) 8.224 16.238 ( -9.839 -17.709 0.000) 20.259 16.795 ( 37.140 -9.864 0.000) 38.428 17.755 ( 9.630 0.289 0.000) 9.634 17.816 ( 12.974 -2.444 0.000) 13.203 17.818 ( -11.731 -0.052 0.000) 11.731 18.298 ( -7.242 -5.567 0.000) 9.135 18.373 ( -10.529 -11.518 0.000) 15.605 18.390 ( 21.195 -33.575 0.000) 39.705 18.659 ( 6.038 12.473 0.000) 13.857 18.845 ( -3.822 -17.700 0.000) 18.108 19.325 ( -18.851 -1.519 0.000) 18.912 19.535 ( -7.453 -2.542 0.000) 7.874 19.543 ( -1.347 -8.401 0.000) 8.508 19.773 ( -8.174 13.709 0.000) 15.960 20.083 ( -11.395 4.411 0.000) 12.219 20.130 ( -10.601 19.964 0.000) 22.604 20.355 ( -15.575 34.917 0.000) 38.234 21.307 ( 10.067 -7.120 0.000) 12.330 21.482 ( -0.216 -4.568 0.000) 4.574 21.569 ( 0.862 -8.626 0.000) 8.669 21.584 ( 0.519 -1.838 0.000) 1.910 21.955 ( 4.487 -4.775 0.000) 6.552 22.180 ( 0.157 -3.551 0.000) 3.555 22.350 ( 5.264 -0.939 0.000) 5.347 22.764 ( -9.853 -9.224 0.000) 13.497 26.485 ( 4.282 5.950 0.000) 7.331 26.488 ( 3.313 5.409 0.000) 6.343 26.611 ( 4.322 7.124 0.000) 8.333 26.704 ( 1.615 4.939 0.000) 5.196 27.746 ( 0.176 -0.425 0.000) 0.460 27.755 ( -0.070 -0.658 0.000) 0.661 27.821 ( -3.342 6.654 0.000) 7.446 27.855 ( -6.311 8.366 0.000) 10.479 28.504 ( 6.718 1.185 0.000) 6.822 28.584 ( 6.473 2.513 0.000) 6.944 28.796 ( -2.372 5.250 0.000) 5.761 28.824 ( -7.648 3.070 0.000) 8.241 28.963 ( -0.111 1.721 0.000) 1.725 29.103 ( -6.239 2.516 0.000) 6.727 29.142 ( 3.385 6.094 0.000) 6.971 29.354 ( -7.555 6.700 0.000) 10.098 30.227 ( 7.009 3.310 0.000) 7.752 30.268 ( 39.690 -8.368 0.000) 40.563 30.446 ( 4.740 0.011 0.000) 4.740 30.528 ( -2.505 2.259 0.000) 3.374 30.570 ( 0.094 -2.121 0.000) 2.123 31.296 ( 5.139 -10.933 0.000) 12.081 31.447 ( 1.833 -24.409 0.000) 24.477 31.864 ( -38.224 -17.373 0.000) 41.987 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -22.727 5.358 0.000) 23.350 2.410 ( 22.727 5.358 0.000) 23.350 2.711 ( -0.370 24.100 0.000) 24.102 2.711 ( 0.370 24.100 0.000) 24.102 2.960 ( -1.090 22.744 0.000) 22.770 2.960 ( 1.090 22.744 0.000) 22.770 3.198 ( -11.155 23.792 0.000) 26.277 3.198 ( 11.155 23.792 0.000) 26.277 3.660 ( -14.701 14.085 0.000) 20.360 3.660 ( 14.701 14.085 0.000) 20.360 3.884 ( -1.126 19.301 0.000) 19.334 3.884 ( 1.126 19.301 0.000) 19.334 4.038 ( -6.167 -0.241 0.000) 6.172 4.038 ( 6.167 -0.241 0.000) 6.172 4.143 ( -5.165 3.095 0.000) 6.022 4.143 ( 5.165 3.095 0.000) 6.022 4.502 ( -21.483 1.544 0.000) 21.538 4.502 ( 21.483 1.544 0.000) 21.538 4.673 ( -19.192 0.960 0.000) 19.216 4.673 ( 19.192 0.960 0.000) 19.216 4.760 ( -0.944 -2.259 0.000) 2.448 4.760 ( 0.944 -2.259 0.000) 2.448 4.934 ( -16.678 5.719 0.000) 17.632 4.934 ( 16.678 5.719 0.000) 17.632 4.999 ( -5.051 8.815 0.000) 10.160 4.999 ( 5.051 8.815 0.000) 10.160 5.214 ( -12.479 0.544 0.000) 12.491 5.214 ( 12.479 0.544 0.000) 12.491 5.416 ( -1.153 -3.625 0.000) 3.804 5.416 ( 1.153 -3.625 0.000) 3.804 5.590 ( -4.238 7.120 0.000) 8.286 5.590 ( 4.238 7.120 0.000) 8.286 5.643 ( -1.058 4.194 0.000) 4.326 5.643 ( 1.058 4.194 0.000) 4.326 5.723 ( -2.825 -6.606 0.000) 7.185 5.723 ( 2.825 -6.606 0.000) 7.185 5.881 ( -9.152 1.402 0.000) 9.259 5.881 ( 9.152 1.402 0.000) 9.259 6.007 ( -4.393 -0.732 0.000) 4.454 6.007 ( 4.393 -0.732 0.000) 4.454 6.071 ( -2.852 4.870 0.000) 5.644 6.071 ( 2.852 4.870 0.000) 5.644 6.261 ( -5.326 -1.247 0.000) 5.470 6.261 ( 5.326 -1.247 0.000) 5.470 6.503 ( -1.328 -6.084 0.000) 6.227 6.503 ( 1.328 -6.084 0.000) 6.227 6.631 ( -2.035 -2.367 0.000) 3.121 6.631 ( 2.035 -2.367 0.000) 3.121 6.768 ( -0.536 -3.646 0.000) 3.686 6.768 ( 0.536 -3.646 0.000) 3.686 6.948 ( -5.942 -5.008 0.000) 7.771 6.948 ( 5.942 -5.008 0.000) 7.771 7.084 ( -1.912 1.468 0.000) 2.410 7.084 ( 1.912 1.468 0.000) 2.410 7.309 ( -14.131 -5.258 0.000) 15.077 7.309 ( 14.131 -5.258 0.000) 15.077 7.504 ( -12.442 -5.602 0.000) 13.645 7.504 ( 12.442 -5.602 0.000) 13.645 7.766 ( -10.076 5.047 0.000) 11.269 7.766 ( 10.076 5.047 0.000) 11.269 7.779 ( -7.834 4.002 0.000) 8.796 7.779 ( 7.834 4.002 0.000) 8.796 7.927 ( -5.479 3.376 0.000) 6.436 7.927 ( 5.479 3.376 0.000) 6.436 7.962 ( -6.376 -5.721 0.000) 8.566 7.962 ( 6.376 -5.721 0.000) 8.566 8.131 ( -5.095 -1.838 0.000) 5.417 8.131 ( 5.095 -1.838 0.000) 5.417 8.475 ( -2.227 15.569 0.000) 15.727 8.475 ( 2.227 15.569 0.000) 15.727 8.551 ( -18.425 7.585 0.000) 19.925 8.551 ( 18.425 7.585 0.000) 19.925 8.855 ( -11.685 -1.782 0.000) 11.820 8.855 ( 11.685 -1.782 0.000) 11.820 9.060 ( -7.254 -6.894 0.000) 10.008 9.060 ( 7.254 -6.894 0.000) 10.008 9.211 ( -2.902 -1.265 0.000) 3.166 9.211 ( 2.902 -1.265 0.000) 3.166 9.301 ( -1.950 -6.697 0.000) 6.975 9.301 ( 1.950 -6.697 0.000) 6.975 9.478 ( -4.902 -4.096 0.000) 6.388 9.478 ( 4.902 -4.096 0.000) 6.388 9.678 ( -0.760 8.711 0.000) 8.744 9.678 ( 0.760 8.711 0.000) 8.744 9.850 ( -5.309 -2.907 0.000) 6.053 9.850 ( 5.309 -2.907 0.000) 6.053 10.002 ( -0.175 -3.721 0.000) 3.725 10.002 ( 0.175 -3.721 0.000) 3.725 10.337 ( -3.126 -2.749 0.000) 4.163 10.337 ( 3.126 -2.749 0.000) 4.163 10.529 ( -0.387 -2.045 0.000) 2.081 10.529 ( 0.387 -2.045 0.000) 2.081 10.647 ( -5.382 -2.865 0.000) 6.097 10.647 ( 5.382 -2.865 0.000) 6.097 10.788 ( -2.081 -0.178 0.000) 2.089 10.788 ( 2.081 -0.178 0.000) 2.089 11.054 ( -5.419 -3.213 0.000) 6.300 11.054 ( 5.419 -3.213 0.000) 6.300 11.070 ( -4.783 -2.738 0.000) 5.511 11.070 ( 4.783 -2.738 0.000) 5.511 11.328 ( -10.492 5.606 0.000) 11.896 11.328 ( 10.492 5.606 0.000) 11.896 11.408 ( -7.323 10.873 0.000) 13.109 11.408 ( 7.323 10.873 0.000) 13.109 12.736 ( -7.369 1.551 0.000) 7.530 12.736 ( 7.369 1.551 0.000) 7.530 12.891 ( -11.274 4.045 0.000) 11.978 12.891 ( 11.274 4.045 0.000) 11.978 13.227 ( -0.715 -9.607 0.000) 9.633 13.227 ( 0.715 -9.607 0.000) 9.633 13.281 ( -0.112 -5.689 0.000) 5.690 13.281 ( 0.112 -5.689 0.000) 5.690 14.005 ( -0.133 -7.420 0.000) 7.422 14.005 ( 0.133 -7.420 0.000) 7.422 14.048 ( -0.303 -2.264 0.000) 2.284 14.048 ( 0.303 -2.264 0.000) 2.284 14.450 ( -4.573 3.447 0.000) 5.727 14.450 ( 4.573 3.447 0.000) 5.727 14.467 ( -4.020 1.093 0.000) 4.166 14.467 ( 4.020 1.093 0.000) 4.166 14.600 ( -0.055 1.184 0.000) 1.185 14.600 ( 0.055 1.184 0.000) 1.185 14.667 ( -1.028 5.863 0.000) 5.952 14.667 ( 1.028 5.863 0.000) 5.952 15.188 ( -7.736 11.668 0.000) 13.999 15.188 ( 7.736 11.668 0.000) 13.999 15.258 ( -6.621 10.615 0.000) 12.511 15.258 ( 6.621 10.615 0.000) 12.511 15.796 ( -13.526 -12.434 0.000) 18.373 15.796 ( 13.526 -12.434 0.000) 18.373 16.002 ( -13.397 -12.870 0.000) 18.577 16.002 ( 13.397 -12.870 0.000) 18.577 17.491 ( -26.143 -3.656 0.000) 26.398 17.491 ( 26.143 -3.656 0.000) 26.398 18.051 ( -20.752 -10.917 0.000) 23.448 18.051 ( 20.752 -10.917 0.000) 23.448 18.089 ( -14.244 -2.359 0.000) 14.438 18.089 ( 14.244 -2.359 0.000) 14.438 18.710 ( -11.945 -30.922 0.000) 33.149 18.710 ( 11.945 -30.922 0.000) 33.149 18.858 ( -18.210 16.014 0.000) 24.250 18.858 ( 18.210 16.014 0.000) 24.250 19.482 ( -1.621 -5.519 0.000) 5.753 19.482 ( 1.621 -5.519 0.000) 5.753 19.858 ( -10.789 6.402 0.000) 12.545 19.858 ( 10.789 6.402 0.000) 12.545 20.136 ( -7.480 28.060 0.000) 29.040 20.136 ( 7.480 28.060 0.000) 29.040 21.441 ( -4.243 -5.645 0.000) 7.061 21.441 ( 4.243 -5.645 0.000) 7.061 21.585 ( -0.497 -5.923 0.000) 5.944 21.585 ( 0.497 -5.923 0.000) 5.944 22.080 ( -7.493 -1.572 0.000) 7.656 22.080 ( 7.493 -1.572 0.000) 7.656 22.545 ( -12.174 -4.543 0.000) 12.994 22.545 ( 12.174 -4.543 0.000) 12.994 26.526 ( -0.176 6.246 0.000) 6.248 26.526 ( 0.176 6.246 0.000) 6.248 26.687 ( -2.976 5.821 0.000) 6.538 26.687 ( 2.976 5.821 0.000) 6.538 27.754 ( -0.398 0.893 0.000) 0.978 27.754 ( 0.398 0.893 0.000) 0.978 27.792 ( -0.772 3.344 0.000) 3.432 27.792 ( 0.772 3.344 0.000) 3.432 28.657 ( -8.107 1.742 0.000) 8.292 28.657 ( 8.107 1.742 0.000) 8.292 28.714 ( -5.341 3.636 0.000) 6.461 28.714 ( 5.341 3.636 0.000) 6.461 28.999 ( -3.951 2.764 0.000) 4.822 28.999 ( 3.951 2.764 0.000) 4.822 29.228 ( -5.484 6.569 0.000) 8.557 29.228 ( 5.484 6.569 0.000) 8.557 30.361 ( -6.621 0.871 0.000) 6.678 30.361 ( 6.621 0.871 0.000) 6.678 30.554 ( -1.965 0.447 0.000) 2.016 30.554 ( 1.965 0.447 0.000) 2.016 31.086 ( -41.799 -12.045 0.000) 43.500 31.086 ( 41.799 -12.045 0.000) 43.500 31.400 ( -5.010 -15.627 0.000) 16.410 31.400 ( 5.010 -15.627 0.000) 16.410 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.000 38.507 0.000) 38.507 1.694 ( 0.000 43.087 0.000) 43.087 2.859 ( 0.000 64.921 0.000) 64.921 2.913 ( 0.000 15.252 0.000) 15.252 2.990 ( 0.000 -3.009 0.000) 3.009 3.133 ( 0.000 22.714 0.000) 22.714 3.327 ( 0.000 30.773 0.000) 30.773 3.447 ( 0.000 9.326 0.000) 9.326 3.893 ( 0.000 -2.901 0.000) 2.901 3.928 ( 0.000 11.752 0.000) 11.752 4.049 ( 0.000 -0.012 0.000) 0.012 4.067 ( 0.000 20.475 0.000) 20.475 4.122 ( 0.000 18.172 0.000) 18.172 4.144 ( 0.000 17.581 0.000) 17.581 4.344 ( 0.000 -2.683 0.000) 2.683 4.522 ( 0.000 -4.866 0.000) 4.866 4.537 ( 0.000 -1.234 0.000) 1.234 4.582 ( 0.000 -3.257 0.000) 3.257 4.717 ( 0.000 4.996 0.000) 4.996 4.741 ( 0.000 -2.424 0.000) 2.424 4.786 ( 0.000 5.317 0.000) 5.317 4.919 ( 0.000 -0.693 0.000) 0.693 5.027 ( 0.000 -5.431 0.000) 5.431 5.042 ( 0.000 4.375 0.000) 4.375 5.116 ( 0.000 5.475 0.000) 5.475 5.168 ( 0.000 7.372 0.000) 7.372 5.187 ( 0.000 10.801 0.000) 10.801 5.288 ( 0.000 23.940 0.000) 23.940 5.408 ( 0.000 13.921 0.000) 13.921 5.409 ( 0.000 -3.049 0.000) 3.049 5.465 ( 0.000 -8.073 0.000) 8.073 5.507 ( 0.000 18.753 0.000) 18.753 5.679 ( 0.000 -4.563 0.000) 4.563 5.749 ( 0.000 27.132 0.000) 27.132 5.767 ( 0.000 13.050 0.000) 13.050 5.772 ( 0.000 -9.028 0.000) 9.028 5.774 ( 0.000 14.977 0.000) 14.977 5.836 ( 0.000 -3.123 0.000) 3.123 6.004 ( 0.000 -4.925 0.000) 4.925 6.011 ( 0.000 -1.174 0.000) 1.174 6.076 ( 0.000 8.391 0.000) 8.391 6.206 ( 0.000 12.653 0.000) 12.653 6.447 ( 0.000 -6.354 0.000) 6.354 6.455 ( 0.000 -4.383 0.000) 4.383 6.457 ( 0.000 -6.852 0.000) 6.852 6.504 ( 0.000 13.668 0.000) 13.668 6.547 ( 0.000 -1.000 0.000) 1.000 6.676 ( 0.000 -5.327 0.000) 5.327 6.798 ( 0.000 5.488 0.000) 5.488 6.846 ( 0.000 4.450 0.000) 4.450 7.100 ( 0.000 -12.896 0.000) 12.896 7.182 ( 0.000 -5.998 0.000) 5.998 7.239 ( 0.000 -1.950 0.000) 1.950 7.260 ( 0.000 -3.748 0.000) 3.748 7.357 ( 0.000 -0.570 0.000) 0.570 7.433 ( 0.000 -4.445 0.000) 4.445 7.502 ( 0.000 7.244 0.000) 7.244 7.532 ( 0.000 -1.638 0.000) 1.638 7.636 ( 0.000 2.840 0.000) 2.840 7.655 ( 0.000 -2.339 0.000) 2.339 7.747 ( 0.000 -10.320 0.000) 10.320 7.829 ( 0.000 5.247 0.000) 5.247 7.891 ( 0.000 8.377 0.000) 8.377 7.951 ( 0.000 12.155 0.000) 12.155 7.981 ( 0.000 -13.414 0.000) 13.414 8.082 ( 0.000 2.555 0.000) 2.555 8.157 ( 0.000 -5.850 0.000) 5.850 8.390 ( 0.000 -5.007 0.000) 5.007 8.460 ( 0.000 8.749 0.000) 8.749 8.475 ( 0.000 -9.021 0.000) 9.021 8.497 ( 0.000 7.556 0.000) 7.556 8.670 ( 0.000 -14.571 0.000) 14.571 8.680 ( 0.000 8.121 0.000) 8.121 8.849 ( 0.000 -2.342 0.000) 2.342 8.929 ( 0.000 -8.689 0.000) 8.689 8.954 ( 0.000 -9.122 0.000) 9.122 9.023 ( 0.000 -2.789 0.000) 2.789 9.079 ( 0.000 -10.683 0.000) 10.683 9.164 ( 0.000 -8.646 0.000) 8.646 9.245 ( 0.000 1.404 0.000) 1.404 9.340 ( 0.000 -5.707 0.000) 5.707 9.580 ( 0.000 -3.948 0.000) 3.948 9.742 ( 0.000 -3.236 0.000) 3.236 9.823 ( 0.000 0.593 0.000) 0.593 9.892 ( 0.000 7.065 0.000) 7.065 9.912 ( 0.000 1.856 0.000) 1.856 10.065 ( 0.000 1.649 0.000) 1.649 10.123 ( 0.000 -0.403 0.000) 0.403 10.131 ( 0.000 8.224 0.000) 8.224 10.163 ( 0.000 -9.533 0.000) 9.533 10.308 ( 0.000 -2.722 0.000) 2.722 10.501 ( 0.000 12.073 0.000) 12.073 10.562 ( 0.000 -3.335 0.000) 3.335 10.637 ( 0.000 -2.577 0.000) 2.577 10.679 ( 0.000 -10.951 0.000) 10.951 10.735 ( 0.000 1.349 0.000) 1.349 10.812 ( 0.000 -4.254 0.000) 4.254 10.960 ( 0.000 -3.276 0.000) 3.276 11.145 ( 0.000 -4.683 0.000) 4.683 11.180 ( 0.000 2.505 0.000) 2.505 11.281 ( 0.000 3.790 0.000) 3.790 11.497 ( 0.000 3.716 0.000) 3.716 12.327 ( 0.000 3.629 0.000) 3.629 12.350 ( 0.000 4.714 0.000) 4.714 12.353 ( 0.000 -2.531 0.000) 2.531 12.521 ( 0.000 -3.242 0.000) 3.242 12.660 ( 0.000 -2.604 0.000) 2.604 12.731 ( 0.000 -3.616 0.000) 3.616 13.059 ( 0.000 12.869 0.000) 12.869 13.232 ( 0.000 -6.672 0.000) 6.672 13.779 ( 0.000 4.646 0.000) 4.646 13.871 ( 0.000 18.872 0.000) 18.872 14.016 ( 0.000 -6.462 0.000) 6.462 14.033 ( 0.000 -2.835 0.000) 2.835 14.085 ( 0.000 -9.890 0.000) 9.890 14.090 ( 0.000 -8.793 0.000) 8.793 14.097 ( 0.000 -2.836 0.000) 2.836 14.260 ( 0.000 -2.404 0.000) 2.404 14.312 ( 0.000 -7.950 0.000) 7.950 14.313 ( 0.000 -3.585 0.000) 3.585 14.419 ( 0.000 12.211 0.000) 12.211 14.475 ( 0.000 3.192 0.000) 3.192 14.635 ( 0.000 2.404 0.000) 2.404 14.720 ( 0.000 7.926 0.000) 7.926 15.067 ( 0.000 13.401 0.000) 13.401 15.077 ( 0.000 0.708 0.000) 0.708 15.191 ( 0.000 14.521 0.000) 14.521 15.324 ( 0.000 2.495 0.000) 2.495 15.665 ( 0.000 28.846 0.000) 28.846 15.777 ( 0.000 9.370 0.000) 9.370 15.868 ( 0.000 -31.777 0.000) 31.777 15.922 ( 0.000 -34.397 0.000) 34.397 15.988 ( 0.000 27.805 0.000) 27.805 17.157 ( 0.000 -6.059 0.000) 6.059 17.571 ( 0.000 2.471 0.000) 2.471 17.784 ( 0.000 3.180 0.000) 3.180 18.062 ( 0.000 -2.694 0.000) 2.694 18.172 ( 0.000 -13.694 0.000) 13.694 18.403 ( 0.000 -5.988 0.000) 5.988 18.621 ( 0.000 -16.774 0.000) 16.774 18.760 ( 0.000 13.202 0.000) 13.202 19.417 ( 0.000 -2.980 0.000) 2.980 19.488 ( 0.000 3.015 0.000) 3.015 19.667 ( 0.000 -13.284 0.000) 13.284 20.478 ( 0.000 -19.989 0.000) 19.989 20.514 ( 0.000 13.477 0.000) 13.477 20.628 ( 0.000 19.544 0.000) 19.544 20.776 ( 0.000 -7.955 0.000) 7.955 21.019 ( 0.000 -23.581 0.000) 23.581 21.470 ( 0.000 -4.187 0.000) 4.187 21.568 ( 0.000 0.354 0.000) 0.354 21.788 ( 0.000 2.106 0.000) 2.106 21.849 ( 0.000 -3.927 0.000) 3.927 21.944 ( 0.000 -3.537 0.000) 3.537 22.262 ( 0.000 1.268 0.000) 1.268 22.413 ( 0.000 -22.395 0.000) 22.395 26.467 ( 0.000 8.817 0.000) 8.817 26.473 ( 0.000 9.042 0.000) 9.042 26.743 ( 0.000 14.146 0.000) 14.146 26.748 ( 0.000 15.452 0.000) 15.452 27.674 ( 0.000 -6.425 0.000) 6.425 27.686 ( 0.000 -6.672 0.000) 6.672 28.238 ( 0.000 7.820 0.000) 7.820 28.373 ( 0.000 -3.254 0.000) 3.254 28.464 ( 0.000 -2.227 0.000) 2.227 28.700 ( 0.000 -4.152 0.000) 4.152 28.799 ( 0.000 -4.507 0.000) 4.507 28.815 ( 0.000 -8.963 0.000) 8.963 28.984 ( 0.000 10.033 0.000) 10.033 29.181 ( 0.000 6.778 0.000) 6.778 29.272 ( 0.000 8.101 0.000) 8.101 29.311 ( 0.000 7.445 0.000) 7.445 29.786 ( 0.000 14.705 0.000) 14.705 30.328 ( 0.000 4.862 0.000) 4.862 30.334 ( 0.000 4.808 0.000) 4.808 30.415 ( 0.000 7.133 0.000) 7.133 30.540 ( 0.000 -0.481 0.000) 0.481 30.573 ( 0.000 -1.393 0.000) 1.393 31.013 ( 0.000 -11.267 0.000) 11.267 32.118 ( 0.000 -37.296 0.000) 37.296 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 19.931 32.033 0.000) 37.727 2.118 ( 35.261 32.789 0.000) 48.150 2.981 ( 6.083 12.087 0.000) 13.531 2.992 ( 6.386 16.103 0.000) 17.323 3.039 ( 8.817 37.217 0.000) 38.248 3.239 ( 14.429 25.350 0.000) 29.168 3.366 ( 4.741 28.039 0.000) 28.437 3.496 ( 4.957 14.520 0.000) 15.343 3.860 ( -1.078 0.792 0.000) 1.338 3.986 ( 2.770 7.276 0.000) 7.786 4.014 ( -4.502 7.289 0.000) 8.567 4.044 ( -2.634 15.927 0.000) 16.144 4.109 ( -1.590 14.909 0.000) 14.994 4.176 ( 2.322 17.614 0.000) 17.766 4.372 ( -8.359 -2.986 0.000) 8.876 4.416 ( 5.752 -2.877 0.000) 6.431 4.486 ( -4.584 -3.673 0.000) 5.874 4.530 ( -9.264 6.219 0.000) 11.158 4.684 ( 4.498 2.197 0.000) 5.006 4.719 ( -2.079 0.204 0.000) 2.089 4.835 ( -6.970 7.247 0.000) 10.054 4.880 ( 4.026 5.978 0.000) 7.207 5.002 ( -5.422 3.894 0.000) 6.675 5.027 ( 1.082 0.139 0.000) 1.091 5.056 ( -0.220 3.209 0.000) 3.217 5.208 ( 2.605 3.393 0.000) 4.278 5.213 ( 0.661 4.599 0.000) 4.646 5.275 ( 1.146 6.148 0.000) 6.254 5.432 ( 1.838 10.055 0.000) 10.222 5.488 ( 7.210 1.257 0.000) 7.319 5.531 ( 5.052 5.146 0.000) 7.211 5.586 ( -7.405 3.855 0.000) 8.348 5.593 ( 0.676 20.705 0.000) 20.717 5.673 ( 2.195 2.385 0.000) 3.241 5.730 ( 1.250 23.407 0.000) 23.441 5.798 ( -0.217 -1.895 0.000) 1.907 5.822 ( 4.558 -0.413 0.000) 4.577 5.850 ( -6.165 -3.055 0.000) 6.880 6.002 ( 5.788 0.971 0.000) 5.869 6.116 ( 4.290 8.363 0.000) 9.399 6.149 ( 8.311 2.273 0.000) 8.616 6.206 ( -0.744 5.958 0.000) 6.004 6.324 ( -7.391 6.304 0.000) 9.714 6.376 ( -6.522 -3.334 0.000) 7.325 6.477 ( 1.674 -4.114 0.000) 4.441 6.540 ( -3.564 -4.279 0.000) 5.569 6.619 ( 4.249 2.238 0.000) 4.802 6.698 ( 3.124 -2.008 0.000) 3.714 6.776 ( -1.432 7.476 0.000) 7.612 6.847 ( -0.805 0.143 0.000) 0.818 6.945 ( -12.809 -12.319 0.000) 17.772 7.145 ( -2.300 -1.040 0.000) 2.524 7.240 ( -3.937 6.437 0.000) 7.545 7.286 ( -5.523 -5.381 0.000) 7.711 7.331 ( 5.259 -2.642 0.000) 5.886 7.374 ( -15.410 9.524 0.000) 18.115 7.419 ( 0.511 -5.579 0.000) 5.602 7.545 ( -1.710 2.002 0.000) 2.633 7.611 ( 6.718 0.916 0.000) 6.780 7.630 ( -9.819 -11.759 0.000) 15.320 7.793 ( 6.203 -2.391 0.000) 6.647 7.796 ( -4.292 9.446 0.000) 10.375 7.869 ( 1.818 -10.136 0.000) 10.298 7.905 ( 1.574 -0.630 0.000) 1.696 7.963 ( 1.134 8.328 0.000) 8.405 8.062 ( -0.649 1.645 0.000) 1.768 8.311 ( 0.920 6.811 0.000) 6.873 8.401 ( -2.656 5.636 0.000) 6.231 8.495 ( 6.363 -0.048 0.000) 6.363 8.531 ( 1.960 4.200 0.000) 4.635 8.548 ( 0.259 0.538 0.000) 0.597 8.560 ( 2.372 -12.964 0.000) 13.179 8.692 ( -8.976 -3.116 0.000) 9.501 8.841 ( 7.860 -10.434 0.000) 13.063 8.848 ( 1.311 -8.667 0.000) 8.766 9.006 ( 0.176 -12.506 0.000) 12.508 9.099 ( -2.235 -6.778 0.000) 7.137 9.124 ( 0.730 -8.846 0.000) 8.876 9.136 ( 7.435 -0.804 0.000) 7.478 9.392 ( 10.226 3.649 0.000) 10.858 9.413 ( 0.212 -6.985 0.000) 6.988 9.535 ( -0.822 -2.703 0.000) 2.825 9.681 ( -11.944 -0.888 0.000) 11.977 9.716 ( 2.254 -2.748 0.000) 3.554 9.773 ( -3.357 0.895 0.000) 3.474 10.038 ( -3.891 -0.509 0.000) 3.924 10.062 ( -11.338 -1.944 0.000) 11.504 10.072 ( -2.155 4.182 0.000) 4.705 10.128 ( 10.169 2.945 0.000) 10.587 10.243 ( 6.016 1.928 0.000) 6.318 10.271 ( 2.132 -5.493 0.000) 5.892 10.456 ( -4.145 8.084 0.000) 9.084 10.551 ( -0.414 -5.225 0.000) 5.241 10.661 ( 1.773 -2.387 0.000) 2.973 10.742 ( 5.327 -5.683 0.000) 7.789 10.775 ( 2.504 -1.008 0.000) 2.699 10.829 ( 0.901 -4.821 0.000) 4.904 10.925 ( -3.597 0.214 0.000) 3.603 11.094 ( -3.929 -5.525 0.000) 6.780 11.170 ( -0.715 -1.387 0.000) 1.560 11.276 ( -0.208 5.320 0.000) 5.324 11.511 ( 0.929 5.746 0.000) 5.820 12.105 ( -11.774 5.799 0.000) 13.124 12.180 ( -13.123 7.044 0.000) 14.894 12.587 ( 0.280 -0.828 0.000) 0.874 12.587 ( 12.557 -3.709 0.000) 13.093 12.705 ( 6.346 -0.867 0.000) 6.405 12.742 ( 0.885 -3.104 0.000) 3.227 13.003 ( -5.063 12.521 0.000) 13.506 13.145 ( -4.558 -7.862 0.000) 9.088 13.634 ( -14.682 4.292 0.000) 15.296 13.652 ( -12.004 3.336 0.000) 12.459 13.956 ( -4.855 -6.243 0.000) 7.909 13.959 ( -8.090 -4.548 0.000) 9.281 14.009 ( -1.303 -4.463 0.000) 4.650 14.057 ( -2.675 -0.500 0.000) 2.721 14.178 ( 6.626 -5.068 0.000) 8.342 14.337 ( 2.330 -6.321 0.000) 6.737 14.365 ( 8.393 -1.558 0.000) 8.537 14.508 ( 4.967 -2.518 0.000) 5.568 14.509 ( 10.933 3.843 0.000) 11.589 14.597 ( 7.331 1.859 0.000) 7.564 14.805 ( 12.464 5.040 0.000) 13.444 14.828 ( 9.109 10.985 0.000) 14.270 14.977 ( -3.260 -4.930 0.000) 5.910 15.057 ( 1.554 12.772 0.000) 12.866 15.311 ( 7.688 14.295 0.000) 16.231 15.321 ( 0.367 1.379 0.000) 1.427 15.690 ( -6.699 -1.490 0.000) 6.863 15.706 ( 3.820 21.542 0.000) 21.878 15.810 ( -9.313 -24.750 0.000) 26.444 15.898 ( 0.954 -18.470 0.000) 18.495 16.217 ( 22.673 20.810 0.000) 30.776 17.300 ( 12.584 -14.140 0.000) 18.928 17.639 ( 6.269 1.716 0.000) 6.500 17.856 ( 7.694 2.058 0.000) 7.965 17.973 ( -8.258 -4.300 0.000) 9.311 18.137 ( -3.825 -14.473 0.000) 14.970 18.388 ( -2.305 -5.670 0.000) 6.120 18.607 ( -2.535 -17.290 0.000) 17.475 18.795 ( 3.759 13.439 0.000) 13.955 19.393 ( -2.203 -3.106 0.000) 3.808 19.480 ( -1.034 2.536 0.000) 2.739 19.568 ( -8.751 -11.792 0.000) 14.685 20.352 ( -17.197 11.507 0.000) 20.692 20.433 ( -8.012 12.813 0.000) 15.111 20.468 ( -3.334 -9.655 0.000) 10.214 20.962 ( 10.294 -1.523 0.000) 10.406 21.026 ( -2.351 -15.317 0.000) 15.496 21.420 ( -6.540 0.997 0.000) 6.615 21.564 ( -10.511 7.090 0.000) 12.679 21.568 ( 0.218 0.071 0.000) 0.229 21.814 ( -6.141 -7.462 0.000) 9.664 21.929 ( 5.991 -8.001 0.000) 9.996 22.289 ( 0.494 -3.373 0.000) 3.409 22.527 ( 6.102 -16.792 0.000) 17.866 26.520 ( 5.056 8.553 0.000) 9.936 26.529 ( 4.765 7.910 0.000) 9.235 26.757 ( 1.258 12.988 0.000) 13.049 26.792 ( 3.621 12.712 0.000) 13.218 27.680 ( 0.694 -5.874 0.000) 5.915 27.687 ( 0.270 -6.326 0.000) 6.332 28.106 ( -11.123 4.812 0.000) 12.119 28.204 ( -15.494 -1.932 0.000) 15.614 28.437 ( 2.424 1.079 0.000) 2.653 28.559 ( 0.709 2.890 0.000) 2.975 28.967 ( 6.083 3.683 0.000) 7.111 28.983 ( 0.141 5.980 0.000) 5.981 28.989 ( 1.192 -2.155 0.000) 2.463 29.182 ( 1.804 3.820 0.000) 4.225 29.277 ( -0.076 8.509 0.000) 8.509 29.472 ( 16.953 -3.316 0.000) 17.274 29.724 ( -2.710 16.645 0.000) 16.864 30.261 ( -0.237 9.482 0.000) 9.485 30.388 ( 4.165 2.726 0.000) 4.978 30.462 ( 2.411 -5.152 0.000) 5.688 30.578 ( 0.460 0.744 0.000) 0.875 30.785 ( 16.663 -8.619 0.000) 18.760 31.016 ( 0.497 -12.298 0.000) 12.308 31.925 ( -19.353 -34.052 0.000) 39.167 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 27.617 21.272 0.000) 34.859 2.689 ( 16.626 23.737 0.000) 28.981 3.091 ( 3.836 19.759 0.000) 20.128 3.105 ( 10.939 15.246 0.000) 18.764 3.176 ( 0.252 5.832 0.000) 5.838 3.485 ( 6.981 25.690 0.000) 26.622 3.498 ( 5.915 25.981 0.000) 26.646 3.842 ( 13.588 25.167 0.000) 28.601 3.871 ( -10.824 15.736 0.000) 19.099 3.908 ( 21.637 9.872 0.000) 23.783 3.947 ( -4.944 6.170 0.000) 7.906 4.010 ( 1.156 4.644 0.000) 4.785 4.071 ( -2.754 5.819 0.000) 6.437 4.169 ( 1.573 8.205 0.000) 8.355 4.201 ( -8.776 2.921 0.000) 9.249 4.398 ( -4.631 12.356 0.000) 13.196 4.439 ( -0.577 5.484 0.000) 5.515 4.554 ( 7.060 -5.119 0.000) 8.721 4.661 ( -4.688 6.909 0.000) 8.349 4.692 ( -2.361 -2.618 0.000) 3.526 4.855 ( -8.176 2.643 0.000) 8.592 4.878 ( 14.227 5.745 0.000) 15.343 4.952 ( -4.655 9.808 0.000) 10.856 4.959 ( 0.879 3.614 0.000) 3.719 5.182 ( 8.633 1.971 0.000) 8.855 5.282 ( 1.829 -1.807 0.000) 2.571 5.305 ( 6.680 1.079 0.000) 6.766 5.346 ( 5.128 -3.014 0.000) 5.948 5.417 ( -2.863 12.559 0.000) 12.881 5.490 ( 3.809 20.794 0.000) 21.140 5.533 ( -3.219 3.541 0.000) 4.785 5.621 ( 6.328 2.345 0.000) 6.748 5.623 ( -4.317 5.605 0.000) 7.075 5.677 ( 0.247 11.141 0.000) 11.144 5.720 ( -5.237 5.757 0.000) 7.782 5.782 ( -2.108 -1.268 0.000) 2.460 5.860 ( 7.805 10.453 0.000) 13.045 5.942 ( 7.285 -5.023 0.000) 8.849 6.039 ( -1.107 2.991 0.000) 3.189 6.148 ( -5.265 0.745 0.000) 5.317 6.161 ( -6.160 6.634 0.000) 9.052 6.232 ( 3.829 10.980 0.000) 11.628 6.236 ( -4.875 2.963 0.000) 5.705 6.307 ( 2.490 4.425 0.000) 5.077 6.451 ( -4.170 -5.128 0.000) 6.609 6.475 ( -3.124 -2.209 0.000) 3.826 6.609 ( -6.825 -1.042 0.000) 6.904 6.619 ( -4.098 -3.446 0.000) 5.354 6.720 ( -7.293 -9.507 0.000) 11.982 6.771 ( -1.098 4.283 0.000) 4.421 6.959 ( 8.014 -1.804 0.000) 8.215 7.009 ( -11.755 4.409 0.000) 12.555 7.099 ( -10.159 7.378 0.000) 12.556 7.128 ( -2.641 6.495 0.000) 7.011 7.183 ( -3.399 3.149 0.000) 4.634 7.348 ( -7.907 -12.316 0.000) 14.636 7.411 ( 2.514 3.646 0.000) 4.429 7.520 ( -2.876 -5.158 0.000) 5.906 7.604 ( 6.774 -4.825 0.000) 8.317 7.742 ( 5.572 -0.105 0.000) 5.573 7.749 ( 3.491 8.014 0.000) 8.742 7.823 ( -0.033 -3.707 0.000) 3.708 7.934 ( -0.581 -5.804 0.000) 5.833 7.943 ( 2.969 -1.950 0.000) 3.552 8.022 ( 4.823 8.487 0.000) 9.762 8.053 ( -1.964 4.005 0.000) 4.461 8.249 ( -7.487 9.824 0.000) 12.352 8.303 ( -15.826 -2.337 0.000) 15.998 8.451 ( 8.907 6.223 0.000) 10.866 8.570 ( 2.934 3.175 0.000) 4.324 8.603 ( 2.941 2.232 0.000) 3.692 8.678 ( 2.919 -2.606 0.000) 3.913 8.686 ( 9.463 -8.101 0.000) 12.457 8.883 ( -7.144 -7.598 0.000) 10.429 8.966 ( 4.558 -8.760 0.000) 9.875 8.989 ( 3.327 -17.990 0.000) 18.295 9.071 ( -1.196 -4.853 0.000) 4.998 9.089 ( -3.339 -1.806 0.000) 3.796 9.220 ( -1.990 -2.087 0.000) 2.883 9.356 ( 0.959 -5.317 0.000) 5.402 9.410 ( -8.472 6.358 0.000) 10.592 9.530 ( -4.454 1.218 0.000) 4.617 9.636 ( 8.253 -4.489 0.000) 9.395 9.737 ( 0.467 0.605 0.000) 0.764 9.856 ( 7.549 1.592 0.000) 7.715 9.866 ( -2.319 -5.198 0.000) 5.692 9.921 ( -6.631 -0.645 0.000) 6.662 10.012 ( -4.569 0.926 0.000) 4.662 10.262 ( -1.329 -4.735 0.000) 4.918 10.270 ( -5.304 -2.314 0.000) 5.787 10.360 ( 9.002 -2.293 0.000) 9.290 10.413 ( 2.550 0.893 0.000) 2.702 10.606 ( 5.213 -6.350 0.000) 8.215 10.675 ( -0.806 0.080 0.000) 0.810 10.739 ( -4.880 -0.950 0.000) 4.971 10.815 ( -2.293 -5.391 0.000) 5.858 10.854 ( 6.437 -1.974 0.000) 6.733 10.918 ( 3.069 -1.551 0.000) 3.439 11.042 ( -1.786 -6.484 0.000) 6.726 11.127 ( -4.671 -4.006 0.000) 6.153 11.306 ( 4.745 9.249 0.000) 10.395 11.536 ( 2.616 10.545 0.000) 10.864 11.857 ( -19.358 12.705 0.000) 23.155 11.874 ( -12.365 11.750 0.000) 17.057 12.623 ( 4.657 -0.142 0.000) 4.659 12.749 ( 0.985 -2.591 0.000) 2.772 12.827 ( 11.265 -8.672 0.000) 14.216 12.870 ( 10.359 -5.923 0.000) 11.933 12.929 ( -1.155 8.221 0.000) 8.302 13.078 ( -4.136 -4.642 0.000) 6.218 13.377 ( -15.048 -1.510 0.000) 15.123 13.381 ( -12.488 -4.057 0.000) 13.130 13.872 ( -1.943 -6.008 0.000) 6.315 13.881 ( -2.668 -5.768 0.000) 6.355 13.998 ( 0.392 -3.416 0.000) 3.439 14.025 ( -0.758 0.020 0.000) 0.759 14.312 ( 6.483 -2.985 0.000) 7.137 14.400 ( 4.568 -3.222 0.000) 5.590 14.432 ( -0.264 -4.752 0.000) 4.759 14.577 ( -0.210 -1.734 0.000) 1.747 14.649 ( 5.091 6.780 0.000) 8.479 14.702 ( 4.666 5.363 0.000) 7.109 14.831 ( -3.140 6.101 0.000) 6.862 14.847 ( -4.548 11.895 0.000) 12.735 15.140 ( 11.463 -8.436 0.000) 14.232 15.239 ( 9.691 -12.068 0.000) 15.477 15.356 ( 3.626 12.371 0.000) 12.891 15.430 ( 2.230 7.679 0.000) 7.997 15.593 ( -0.051 5.266 0.000) 5.266 15.651 ( -4.122 -17.646 0.000) 18.121 15.770 ( 1.244 12.482 0.000) 12.544 15.875 ( -3.588 -11.266 0.000) 11.824 16.793 ( 34.490 8.065 0.000) 35.421 17.561 ( 13.642 -19.468 0.000) 23.772 17.766 ( -13.609 -6.293 0.000) 14.993 17.794 ( 10.390 0.822 0.000) 10.422 18.021 ( -8.610 -16.934 0.000) 18.997 18.055 ( 11.802 -4.109 0.000) 12.497 18.277 ( -9.658 -5.037 0.000) 10.893 18.494 ( -9.191 -15.942 0.000) 18.402 18.908 ( 8.206 13.425 0.000) 15.734 19.322 ( -6.981 0.877 0.000) 7.036 19.410 ( -5.998 -7.932 0.000) 9.945 19.434 ( -3.850 -0.756 0.000) 3.923 20.040 ( -10.840 12.433 0.000) 16.495 20.234 ( -11.842 11.330 0.000) 16.389 20.442 ( 2.122 10.301 0.000) 10.518 20.827 ( -15.031 10.318 0.000) 18.232 21.144 ( 9.193 -8.748 0.000) 12.690 21.385 ( 3.484 -6.333 0.000) 7.228 21.448 ( -4.893 -1.373 0.000) 5.082 21.561 ( -1.956 0.319 0.000) 1.981 21.826 ( 6.617 -8.843 0.000) 11.045 22.049 ( 3.581 -8.921 0.000) 9.613 22.286 ( 1.739 -5.473 0.000) 5.743 22.552 ( -3.640 -11.695 0.000) 12.248 26.622 ( 4.365 8.038 0.000) 9.146 26.630 ( 5.350 8.669 0.000) 10.187 26.783 ( 1.476 10.092 0.000) 10.200 26.843 ( 0.963 9.070 0.000) 9.121 27.703 ( 1.486 -5.160 0.000) 5.370 27.703 ( 1.740 -4.411 0.000) 4.742 27.917 ( -7.799 2.058 0.000) 8.066 27.948 ( -10.172 0.475 0.000) 10.183 28.542 ( 7.743 2.759 0.000) 8.220 28.644 ( 6.559 3.367 0.000) 7.373 28.898 ( -7.962 3.688 0.000) 8.774 28.925 ( -5.256 6.656 0.000) 8.481 29.035 ( 2.337 6.617 0.000) 7.018 29.167 ( -3.708 3.764 0.000) 5.284 29.316 ( 4.099 11.688 0.000) 12.386 29.522 ( -6.213 9.170 0.000) 11.077 30.086 ( 31.255 -8.431 0.000) 32.372 30.309 ( 3.930 4.610 0.000) 6.057 30.447 ( 2.148 0.150 0.000) 2.154 30.517 ( 3.131 -2.904 0.000) 4.270 30.586 ( 0.163 3.528 0.000) 3.532 31.013 ( 6.438 -17.509 0.000) 18.655 31.036 ( 1.571 -14.732 0.000) 14.815 31.429 ( -30.839 -26.308 0.000) 40.536 ======================= Grid point 17 (12/48) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -21.763 13.595 0.000) 25.660 2.585 ( 21.763 13.595 0.000) 25.660 3.145 ( -1.257 21.725 0.000) 21.761 3.145 ( 1.257 21.725 0.000) 21.761 3.420 ( -14.588 21.999 0.000) 26.396 3.420 ( 14.588 21.999 0.000) 26.396 3.637 ( -10.354 18.829 0.000) 21.488 3.637 ( 10.354 18.829 0.000) 21.488 3.927 ( -2.876 8.432 0.000) 8.909 3.927 ( 2.876 8.432 0.000) 8.909 4.023 ( -2.510 0.033 0.000) 2.510 4.023 ( 2.510 0.033 0.000) 2.510 4.071 ( -5.001 4.248 0.000) 6.562 4.071 ( 5.001 4.248 0.000) 6.562 4.343 ( -2.059 12.166 0.000) 12.339 4.343 ( 2.059 12.166 0.000) 12.339 4.627 ( -3.559 -0.421 0.000) 3.584 4.627 ( 3.559 -0.421 0.000) 3.584 4.677 ( -10.460 -0.126 0.000) 10.461 4.677 ( 10.460 -0.126 0.000) 10.461 4.791 ( -19.220 12.150 0.000) 22.738 4.791 ( 19.220 12.150 0.000) 22.738 5.041 ( -11.913 2.936 0.000) 12.269 5.041 ( 11.913 2.936 0.000) 12.269 5.190 ( -16.849 8.807 0.000) 19.012 5.190 ( 16.849 8.807 0.000) 19.012 5.367 ( -1.942 6.189 0.000) 6.487 5.367 ( 1.942 6.189 0.000) 6.487 5.447 ( -4.583 5.894 0.000) 7.466 5.447 ( 4.583 5.894 0.000) 7.466 5.587 ( -4.033 11.187 0.000) 11.892 5.587 ( 4.033 11.187 0.000) 11.892 5.671 ( -2.999 -0.773 0.000) 3.097 5.671 ( 2.999 -0.773 0.000) 3.097 5.744 ( -3.714 1.192 0.000) 3.900 5.744 ( 3.714 1.192 0.000) 3.900 5.980 ( -5.700 -0.967 0.000) 5.782 5.980 ( 5.700 -0.967 0.000) 5.782 6.045 ( -4.230 9.081 0.000) 10.018 6.045 ( 4.230 9.081 0.000) 10.018 6.140 ( -4.663 9.661 0.000) 10.728 6.140 ( 4.663 9.661 0.000) 10.728 6.275 ( -1.650 4.854 0.000) 5.127 6.275 ( 1.650 4.854 0.000) 5.127 6.401 ( -1.253 -5.069 0.000) 5.222 6.401 ( 1.253 -5.069 0.000) 5.222 6.572 ( -0.292 -2.591 0.000) 2.607 6.572 ( 0.292 -2.591 0.000) 2.607 6.703 ( -4.902 -4.501 0.000) 6.655 6.703 ( 4.902 -4.501 0.000) 6.655 6.902 ( -7.919 5.431 0.000) 9.603 6.902 ( 7.919 5.431 0.000) 9.603 7.141 ( -3.008 4.769 0.000) 5.638 7.141 ( 3.008 4.769 0.000) 5.638 7.183 ( -8.526 -5.305 0.000) 10.041 7.183 ( 8.526 -5.305 0.000) 10.041 7.452 ( -3.368 0.959 0.000) 3.501 7.452 ( 3.368 0.959 0.000) 3.501 7.783 ( -6.968 -8.207 0.000) 10.766 7.783 ( 6.968 -8.207 0.000) 10.766 7.834 ( -6.519 -1.200 0.000) 6.629 7.834 ( 6.519 -1.200 0.000) 6.629 7.919 ( -12.078 8.701 0.000) 14.886 7.919 ( 12.078 8.701 0.000) 14.886 8.029 ( -6.380 3.920 0.000) 7.488 8.029 ( 6.380 3.920 0.000) 7.488 8.138 ( -7.123 4.159 0.000) 8.249 8.138 ( 7.123 4.159 0.000) 8.249 8.589 ( -3.560 -2.480 0.000) 4.339 8.589 ( 3.560 -2.480 0.000) 4.339 8.667 ( -5.188 -2.025 0.000) 5.569 8.667 ( 5.188 -2.025 0.000) 5.569 8.860 ( -7.703 0.626 0.000) 7.729 8.860 ( 7.703 0.626 0.000) 7.729 8.932 ( -5.519 -2.743 0.000) 6.163 8.932 ( 5.519 -2.743 0.000) 6.163 9.069 ( -1.710 -12.630 0.000) 12.746 9.069 ( 1.710 -12.630 0.000) 12.746 9.242 ( -6.012 3.049 0.000) 6.741 9.242 ( 6.012 3.049 0.000) 6.741 9.421 ( -4.979 -1.635 0.000) 5.240 9.421 ( 4.979 -1.635 0.000) 5.240 9.790 ( -2.471 0.611 0.000) 2.545 9.790 ( 2.471 0.611 0.000) 2.545 9.847 ( -8.243 -2.652 0.000) 8.659 9.847 ( 8.243 -2.652 0.000) 8.659 9.922 ( -3.031 1.428 0.000) 3.351 9.922 ( 3.031 1.428 0.000) 3.351 10.215 ( -1.611 -9.059 0.000) 9.201 10.215 ( 1.611 -9.059 0.000) 9.201 10.462 ( -0.097 -2.501 0.000) 2.503 10.462 ( 0.097 -2.501 0.000) 2.503 10.642 ( -0.959 -0.585 0.000) 1.123 10.642 ( 0.959 -0.585 0.000) 1.123 10.750 ( -4.330 -4.389 0.000) 6.166 10.750 ( 4.330 -4.389 0.000) 6.166 10.974 ( -1.098 -5.354 0.000) 5.465 10.974 ( 1.098 -5.354 0.000) 5.465 11.011 ( -3.086 -2.604 0.000) 4.037 11.011 ( 3.086 -2.604 0.000) 4.037 11.496 ( -14.390 12.013 0.000) 18.745 11.496 ( 14.390 12.013 0.000) 18.745 11.661 ( -8.326 14.595 0.000) 16.803 11.661 ( 8.326 14.595 0.000) 16.803 12.723 ( -4.195 -3.867 0.000) 5.705 12.723 ( 4.195 -3.867 0.000) 5.705 12.970 ( -5.728 -0.024 0.000) 5.728 12.970 ( 5.728 -0.024 0.000) 5.728 13.028 ( -3.115 -5.778 0.000) 6.564 13.028 ( 3.115 -5.778 0.000) 6.564 13.177 ( -2.864 -4.859 0.000) 5.640 13.177 ( 2.864 -4.859 0.000) 5.640 13.856 ( -0.118 -6.274 0.000) 6.275 13.856 ( 0.118 -6.274 0.000) 6.275 14.013 ( -0.748 -1.799 0.000) 1.948 14.013 ( 0.748 -1.799 0.000) 1.948 14.399 ( -2.873 -4.441 0.000) 5.290 14.399 ( 2.873 -4.441 0.000) 5.290 14.508 ( -5.675 -1.222 0.000) 5.805 14.508 ( 5.675 -1.222 0.000) 5.805 14.738 ( -4.153 12.139 0.000) 12.830 14.738 ( 4.153 12.139 0.000) 12.830 14.784 ( -1.783 2.883 0.000) 3.390 14.784 ( 1.783 2.883 0.000) 3.390 15.287 ( -3.510 -10.426 0.000) 11.001 15.287 ( 3.510 -10.426 0.000) 11.001 15.392 ( -1.961 1.431 0.000) 2.428 15.392 ( 1.961 1.431 0.000) 2.428 15.683 ( -2.422 3.541 0.000) 4.290 15.683 ( 2.422 3.541 0.000) 4.290 15.769 ( -4.646 -0.078 0.000) 4.646 15.769 ( 4.646 -0.078 0.000) 4.646 17.402 ( -26.034 -4.787 0.000) 26.471 17.402 ( 26.034 -4.787 0.000) 26.471 17.810 ( -12.479 -17.320 0.000) 21.347 17.810 ( 12.479 -17.320 0.000) 21.347 18.040 ( -14.059 -3.703 0.000) 14.538 18.040 ( 14.059 -3.703 0.000) 14.538 18.282 ( -11.864 -10.313 0.000) 15.719 18.282 ( 11.864 -10.313 0.000) 15.719 19.110 ( -12.507 10.424 0.000) 16.281 19.110 ( 12.507 10.424 0.000) 16.281 19.369 ( -1.534 -4.065 0.000) 4.345 19.369 ( 1.534 -4.065 0.000) 4.345 20.029 ( -7.679 11.272 0.000) 13.639 20.029 ( 7.679 11.272 0.000) 13.639 20.569 ( -10.765 14.705 0.000) 18.224 20.569 ( 10.765 14.705 0.000) 18.224 21.312 ( -7.962 -8.912 0.000) 11.951 21.312 ( 7.962 -8.912 0.000) 11.951 21.490 ( -4.954 -2.164 0.000) 5.406 21.490 ( 4.954 -2.164 0.000) 5.406 21.986 ( -8.041 -7.797 0.000) 11.200 21.986 ( 8.041 -7.797 0.000) 11.200 22.416 ( -9.227 -8.428 0.000) 12.497 22.416 ( 9.227 -8.428 0.000) 12.497 26.678 ( -0.837 9.022 0.000) 9.061 26.678 ( 0.837 9.022 0.000) 9.061 26.823 ( -2.472 7.798 0.000) 8.181 26.823 ( 2.472 7.798 0.000) 8.181 27.733 ( -0.126 -3.609 0.000) 3.612 27.733 ( 0.126 -3.609 0.000) 3.612 27.832 ( -0.620 0.067 0.000) 0.624 27.832 ( 0.620 0.067 0.000) 0.624 28.708 ( -7.885 3.352 0.000) 8.568 28.708 ( 7.885 3.352 0.000) 8.568 28.801 ( -5.961 4.756 0.000) 7.626 28.801 ( 5.961 4.756 0.000) 7.626 29.091 ( -3.642 6.768 0.000) 7.685 29.091 ( 3.642 6.768 0.000) 7.685 29.407 ( -5.374 11.590 0.000) 12.775 29.407 ( 5.374 11.590 0.000) 12.775 30.373 ( -1.623 -0.365 0.000) 1.663 30.373 ( 1.623 -0.365 0.000) 1.663 30.569 ( -1.863 1.083 0.000) 2.155 30.569 ( 1.863 1.083 0.000) 2.155 30.793 ( -33.162 -16.985 0.000) 37.258 30.793 ( 33.162 -16.985 0.000) 37.258 31.063 ( -0.635 -16.801 0.000) 16.813 31.063 ( 0.635 -16.801 0.000) 16.813 ======================= Grid point 21 (13/48) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 37.351 0.000) 37.351 2.476 ( 0.000 37.356 0.000) 37.356 3.008 ( 0.000 6.562 0.000) 6.562 3.210 ( 0.000 14.886 0.000) 14.886 3.572 ( 0.000 25.944 0.000) 25.944 3.619 ( 0.000 7.558 0.000) 7.558 3.630 ( 0.000 3.251 0.000) 3.251 3.890 ( 0.000 3.765 0.000) 3.765 3.905 ( 0.000 21.911 0.000) 21.911 4.050 ( 0.000 0.683 0.000) 0.683 4.074 ( 0.000 19.301 0.000) 19.301 4.238 ( 0.000 -3.883 0.000) 3.883 4.271 ( 0.000 -5.336 0.000) 5.336 4.394 ( 0.000 8.252 0.000) 8.252 4.458 ( 0.000 12.777 0.000) 12.777 4.478 ( 0.000 1.536 0.000) 1.536 4.669 ( 0.000 15.015 0.000) 15.015 4.673 ( 0.000 15.307 0.000) 15.307 4.689 ( 0.000 -2.087 0.000) 2.087 4.785 ( 0.000 3.551 0.000) 3.551 4.902 ( 0.000 -2.366 0.000) 2.366 4.928 ( 0.000 1.482 0.000) 1.482 4.946 ( 0.000 4.758 0.000) 4.758 5.104 ( 0.000 -1.698 0.000) 1.698 5.165 ( 0.000 0.007 0.000) 0.007 5.205 ( 0.000 -4.330 0.000) 4.330 5.257 ( 0.000 4.819 0.000) 4.819 5.259 ( 0.000 0.333 0.000) 0.333 5.444 ( 0.000 5.953 0.000) 5.953 5.494 ( 0.000 -9.212 0.000) 9.212 5.584 ( 0.000 -4.384 0.000) 4.384 5.608 ( 0.000 10.123 0.000) 10.123 5.623 ( 0.000 -5.718 0.000) 5.718 5.648 ( 0.000 -5.495 0.000) 5.495 5.764 ( 0.000 3.210 0.000) 3.210 5.777 ( 0.000 -3.946 0.000) 3.946 5.955 ( 0.000 0.379 0.000) 0.379 5.988 ( 0.000 7.612 0.000) 7.612 6.103 ( 0.000 4.611 0.000) 4.611 6.122 ( 0.000 8.814 0.000) 8.814 6.239 ( 0.000 -11.752 0.000) 11.752 6.246 ( 0.000 -13.442 0.000) 13.442 6.315 ( 0.000 -8.155 0.000) 8.155 6.502 ( 0.000 -11.870 0.000) 11.870 6.517 ( 0.000 11.756 0.000) 11.756 6.528 ( 0.000 -1.988 0.000) 1.988 6.589 ( 0.000 9.158 0.000) 9.158 6.931 ( 0.000 28.957 0.000) 28.957 6.934 ( 0.000 -5.269 0.000) 5.269 6.971 ( 0.000 27.574 0.000) 27.574 7.033 ( 0.000 -8.798 0.000) 8.798 7.133 ( 0.000 -8.535 0.000) 8.535 7.210 ( 0.000 6.105 0.000) 6.105 7.297 ( 0.000 -10.033 0.000) 10.033 7.379 ( 0.000 31.507 0.000) 31.507 7.505 ( 0.000 -1.980 0.000) 1.980 7.539 ( 0.000 -10.140 0.000) 10.140 7.579 ( 0.000 -1.704 0.000) 1.704 7.673 ( 0.000 1.081 0.000) 1.081 7.676 ( 0.000 9.023 0.000) 9.023 7.682 ( 0.000 -8.935 0.000) 8.935 7.771 ( 0.000 32.124 0.000) 32.124 7.919 ( 0.000 -15.195 0.000) 15.195 7.987 ( 0.000 15.610 0.000) 15.610 8.020 ( 0.000 2.476 0.000) 2.476 8.213 ( 0.000 14.119 0.000) 14.119 8.241 ( 0.000 14.325 0.000) 14.325 8.382 ( 0.000 8.121 0.000) 8.121 8.386 ( 0.000 -11.447 0.000) 11.447 8.407 ( 0.000 -1.188 0.000) 1.188 8.551 ( 0.000 -4.485 0.000) 4.485 8.653 ( 0.000 10.296 0.000) 10.296 8.754 ( 0.000 -10.350 0.000) 10.350 8.758 ( 0.000 -5.158 0.000) 5.158 8.776 ( 0.000 1.649 0.000) 1.649 8.866 ( 0.000 1.970 0.000) 1.970 8.867 ( 0.000 -9.647 0.000) 9.647 8.975 ( 0.000 -3.110 0.000) 3.110 9.023 ( 0.000 -2.435 0.000) 2.435 9.244 ( 0.000 -4.051 0.000) 4.051 9.290 ( 0.000 2.630 0.000) 2.630 9.475 ( 0.000 -5.634 0.000) 5.634 9.630 ( 0.000 -7.809 0.000) 7.809 9.862 ( 0.000 3.881 0.000) 3.881 9.909 ( 0.000 -1.506 0.000) 1.506 9.960 ( 0.000 -9.007 0.000) 9.007 10.032 ( 0.000 2.636 0.000) 2.636 10.039 ( 0.000 -3.172 0.000) 3.172 10.095 ( 0.000 -4.105 0.000) 4.105 10.258 ( 0.000 -3.030 0.000) 3.030 10.259 ( 0.000 4.639 0.000) 4.639 10.444 ( 0.000 -12.649 0.000) 12.649 10.514 ( 0.000 -1.437 0.000) 1.437 10.562 ( 0.000 -2.661 0.000) 2.661 10.689 ( 0.000 -9.095 0.000) 9.095 10.815 ( 0.000 13.233 0.000) 13.233 10.819 ( 0.000 -11.263 0.000) 11.263 10.819 ( 0.000 5.622 0.000) 5.622 11.049 ( 0.000 -4.780 0.000) 4.780 11.213 ( 0.000 0.468 0.000) 0.468 11.466 ( 0.000 17.321 0.000) 17.321 11.620 ( 0.000 10.421 0.000) 10.421 12.299 ( 0.000 -3.232 0.000) 3.232 12.394 ( 0.000 3.280 0.000) 3.280 12.431 ( 0.000 3.311 0.000) 3.311 12.455 ( 0.000 -3.622 0.000) 3.622 12.615 ( 0.000 -2.096 0.000) 2.096 12.651 ( 0.000 -4.250 0.000) 4.250 13.066 ( 0.000 -9.714 0.000) 9.714 13.071 ( 0.000 -6.205 0.000) 6.205 13.832 ( 0.000 1.536 0.000) 1.536 13.857 ( 0.000 -11.118 0.000) 11.118 13.909 ( 0.000 -10.705 0.000) 10.705 13.936 ( 0.000 -5.565 0.000) 5.565 13.982 ( 0.000 -1.755 0.000) 1.755 14.036 ( 0.000 -2.939 0.000) 2.939 14.078 ( 0.000 -3.955 0.000) 3.955 14.189 ( 0.000 -4.644 0.000) 4.644 14.214 ( 0.000 -7.475 0.000) 7.475 14.379 ( 0.000 14.843 0.000) 14.843 14.467 ( 0.000 -7.641 0.000) 7.641 14.590 ( 0.000 -9.360 0.000) 9.360 14.636 ( 0.000 7.265 0.000) 7.265 14.776 ( 0.000 -7.179 0.000) 7.179 15.183 ( 0.000 11.065 0.000) 11.065 15.314 ( 0.000 12.040 0.000) 12.040 15.367 ( 0.000 -0.573 0.000) 0.573 15.411 ( 0.000 8.711 0.000) 8.711 15.446 ( 0.000 -8.096 0.000) 8.096 15.519 ( 0.000 7.821 0.000) 7.821 15.907 ( 0.000 3.754 0.000) 3.754 16.056 ( 0.000 11.858 0.000) 11.858 16.599 ( 0.000 30.814 0.000) 30.814 17.084 ( 0.000 1.014 0.000) 1.014 17.610 ( 0.000 1.456 0.000) 1.456 17.814 ( 0.000 0.120 0.000) 0.120 17.936 ( 0.000 -10.380 0.000) 10.380 17.942 ( 0.000 -9.964 0.000) 9.964 18.230 ( 0.000 -21.777 0.000) 21.777 18.250 ( 0.000 -10.187 0.000) 10.187 19.062 ( 0.000 18.170 0.000) 18.170 19.368 ( 0.000 0.299 0.000) 0.299 19.428 ( 0.000 -10.157 0.000) 10.157 19.694 ( 0.000 16.497 0.000) 16.497 20.064 ( 0.000 -22.256 0.000) 22.256 20.549 ( 0.000 -24.989 0.000) 24.989 20.590 ( 0.000 -11.818 0.000) 11.818 20.803 ( 0.000 15.848 0.000) 15.848 20.985 ( 0.000 17.333 0.000) 17.333 21.317 ( 0.000 -12.444 0.000) 12.444 21.566 ( 0.000 -1.045 0.000) 1.045 21.761 ( 0.000 -5.085 0.000) 5.085 21.806 ( 0.000 -0.236 0.000) 0.236 21.848 ( 0.000 -5.879 0.000) 5.879 22.131 ( 0.000 -7.892 0.000) 7.892 22.251 ( 0.000 -2.187 0.000) 2.187 26.652 ( 0.000 10.179 0.000) 10.179 26.662 ( 0.000 10.367 0.000) 10.367 27.024 ( 0.000 14.997 0.000) 14.997 27.057 ( 0.000 16.584 0.000) 16.584 27.506 ( 0.000 -10.725 0.000) 10.725 27.513 ( 0.000 -10.880 0.000) 10.880 28.234 ( 0.000 -8.385 0.000) 8.385 28.236 ( 0.000 -11.947 0.000) 11.947 28.437 ( 0.000 0.972 0.000) 0.972 28.627 ( 0.000 -3.442 0.000) 3.442 28.667 ( 0.000 -4.753 0.000) 4.753 28.724 ( 0.000 -3.308 0.000) 3.308 29.182 ( 0.000 10.262 0.000) 10.262 29.297 ( 0.000 5.201 0.000) 5.201 29.452 ( 0.000 7.450 0.000) 7.450 29.482 ( 0.000 12.260 0.000) 12.260 30.111 ( 0.000 17.165 0.000) 17.165 30.380 ( 0.000 0.203 0.000) 0.203 30.388 ( 0.000 1.477 0.000) 1.477 30.550 ( 0.000 6.501 0.000) 6.501 30.578 ( 0.000 3.906 0.000) 3.906 30.611 ( 0.000 4.865 0.000) 4.865 30.790 ( 0.000 -11.199 0.000) 11.199 31.403 ( 0.000 -35.607 0.000) 35.607 ======================= Grid point 22 (14/48) ======================= q-point: ( 0.17 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 11.960 34.192 0.000) 36.224 2.747 ( 24.718 30.737 0.000) 39.443 3.062 ( 4.861 6.755 0.000) 8.322 3.284 ( 6.923 13.675 0.000) 15.328 3.501 ( -2.947 23.114 0.000) 23.301 3.658 ( 3.194 5.180 0.000) 6.086 3.725 ( 8.162 7.361 0.000) 10.991 3.844 ( -3.056 1.840 0.000) 3.567 4.045 ( -0.891 1.502 0.000) 1.747 4.059 ( 10.342 11.672 0.000) 15.594 4.116 ( 7.396 27.873 0.000) 28.838 4.170 ( -6.143 -4.722 0.000) 7.747 4.305 ( 3.585 -6.714 0.000) 7.612 4.373 ( -7.030 8.217 0.000) 10.814 4.455 ( -3.077 2.422 0.000) 3.916 4.475 ( 0.612 6.931 0.000) 6.958 4.569 ( 1.220 18.905 0.000) 18.945 4.687 ( -6.549 14.821 0.000) 16.203 4.741 ( 2.262 4.612 0.000) 5.137 4.762 ( -3.422 5.167 0.000) 6.198 4.900 ( 8.285 -0.883 0.000) 8.332 4.919 ( 0.556 3.465 0.000) 3.509 4.977 ( -0.995 -1.848 0.000) 2.099 5.043 ( -7.827 1.403 0.000) 7.951 5.131 ( 0.728 0.962 0.000) 1.207 5.229 ( 3.284 -1.680 0.000) 3.689 5.253 ( -0.655 0.984 0.000) 1.183 5.324 ( 3.183 7.676 0.000) 8.310 5.442 ( 1.190 1.831 0.000) 2.184 5.487 ( -5.697 -6.858 0.000) 8.916 5.487 ( -3.749 -6.750 0.000) 7.721 5.610 ( 7.408 -6.695 0.000) 9.985 5.654 ( -0.605 -7.284 0.000) 7.309 5.695 ( 4.234 7.925 0.000) 8.984 5.769 ( 3.780 3.861 0.000) 5.403 5.868 ( -1.449 -0.242 0.000) 1.469 5.924 ( 2.535 -1.672 0.000) 3.036 5.942 ( -3.452 2.076 0.000) 4.028 6.146 ( 2.267 10.879 0.000) 11.112 6.161 ( 3.022 -2.901 0.000) 4.189 6.234 ( -0.417 -8.890 0.000) 8.900 6.286 ( 1.150 -3.463 0.000) 3.649 6.339 ( 3.358 -6.117 0.000) 6.978 6.472 ( -3.390 -1.867 0.000) 3.870 6.520 ( -0.285 4.841 0.000) 4.849 6.557 ( 4.802 1.599 0.000) 5.061 6.632 ( 1.416 2.304 0.000) 2.704 6.744 ( -11.609 -1.522 0.000) 11.709 6.956 ( 0.481 23.625 0.000) 23.630 6.966 ( -9.402 29.486 0.000) 30.949 7.016 ( -1.586 -1.794 0.000) 2.395 7.110 ( 3.609 -10.222 0.000) 10.840 7.217 ( 7.751 -6.055 0.000) 9.836 7.332 ( -4.805 21.044 0.000) 21.586 7.368 ( -9.144 0.782 0.000) 9.178 7.419 ( 2.223 -6.304 0.000) 6.685 7.483 ( -4.475 1.579 0.000) 4.745 7.607 ( 0.591 -15.746 0.000) 15.757 7.612 ( -0.377 3.169 0.000) 3.192 7.696 ( -4.071 8.052 0.000) 9.022 7.713 ( -3.988 36.076 0.000) 36.295 7.757 ( 10.250 -0.640 0.000) 10.270 7.939 ( -3.050 9.244 0.000) 9.734 8.026 ( 0.021 14.262 0.000) 14.262 8.153 ( 2.781 3.871 0.000) 4.766 8.187 ( -0.814 13.008 0.000) 13.034 8.231 ( 9.558 -13.822 0.000) 16.805 8.350 ( 1.671 -0.729 0.000) 1.823 8.415 ( -3.038 3.103 0.000) 4.342 8.465 ( 4.221 -5.998 0.000) 7.335 8.550 ( 2.767 0.052 0.000) 2.768 8.620 ( -7.296 -4.168 0.000) 8.403 8.637 ( 0.224 6.195 0.000) 6.199 8.743 ( -5.391 -3.096 0.000) 6.217 8.754 ( -0.913 2.736 0.000) 2.884 8.796 ( -1.099 -10.215 0.000) 10.274 9.003 ( 2.310 -1.992 0.000) 3.051 9.010 ( 8.753 -1.394 0.000) 8.863 9.123 ( 7.858 -0.841 0.000) 7.903 9.295 ( 1.035 -4.035 0.000) 4.166 9.424 ( -2.206 -6.824 0.000) 7.171 9.455 ( 11.922 1.524 0.000) 12.019 9.588 ( 0.252 -10.194 0.000) 10.197 9.692 ( -15.132 1.413 0.000) 15.198 9.813 ( -3.637 3.755 0.000) 5.228 9.924 ( -7.666 -9.664 0.000) 12.335 9.992 ( -2.915 -4.653 0.000) 5.491 10.096 ( -0.955 -2.185 0.000) 2.384 10.178 ( 7.624 1.362 0.000) 7.745 10.241 ( 1.179 -0.443 0.000) 1.260 10.296 ( 2.674 2.485 0.000) 3.650 10.425 ( -1.841 -9.036 0.000) 9.222 10.460 ( -4.014 -3.447 0.000) 5.291 10.606 ( 3.385 -6.397 0.000) 7.237 10.707 ( 1.053 -7.920 0.000) 7.990 10.787 ( -2.993 7.102 0.000) 7.707 10.803 ( -2.109 -0.133 0.000) 2.113 10.853 ( 2.085 -5.741 0.000) 6.107 10.998 ( -3.664 -3.165 0.000) 4.842 11.132 ( -6.628 -1.710 0.000) 6.845 11.499 ( 3.325 18.851 0.000) 19.142 11.664 ( 3.653 10.603 0.000) 11.215 12.187 ( -6.791 2.523 0.000) 7.244 12.305 ( -7.509 5.435 0.000) 9.270 12.525 ( 8.430 -2.758 0.000) 8.870 12.532 ( 2.011 -3.723 0.000) 4.231 12.652 ( 0.079 -4.873 0.000) 4.874 12.672 ( 4.261 -2.324 0.000) 4.853 12.991 ( -4.194 -7.755 0.000) 8.817 13.042 ( -2.818 -4.961 0.000) 5.705 13.691 ( -13.656 -0.192 0.000) 13.658 13.746 ( -17.393 2.453 0.000) 17.566 13.836 ( -4.301 -5.020 0.000) 6.610 13.846 ( -1.653 -5.900 0.000) 6.127 13.933 ( -4.756 -2.553 0.000) 5.398 14.064 ( 0.194 -0.727 0.000) 0.752 14.107 ( 8.292 -2.544 0.000) 8.674 14.237 ( 3.036 -3.029 0.000) 4.288 14.293 ( 6.851 -5.277 0.000) 8.648 14.471 ( 0.300 -1.525 0.000) 1.554 14.492 ( 7.365 -8.916 0.000) 11.565 14.522 ( 1.195 -18.883 0.000) 18.921 14.780 ( 6.565 -5.372 0.000) 8.483 14.811 ( -1.710 -9.618 0.000) 9.769 15.155 ( 2.620 16.921 0.000) 17.122 15.243 ( -5.266 10.418 0.000) 11.674 15.351 ( -2.658 -4.131 0.000) 4.912 15.446 ( 0.176 -3.524 0.000) 3.528 15.507 ( 7.894 13.799 0.000) 15.898 15.638 ( 9.900 12.429 0.000) 15.890 15.911 ( 0.299 4.051 0.000) 4.062 16.048 ( -0.754 11.336 0.000) 11.361 16.702 ( 10.445 23.902 0.000) 26.085 17.131 ( 5.032 -1.532 0.000) 5.260 17.664 ( 5.266 0.832 0.000) 5.331 17.801 ( -10.951 -12.881 0.000) 16.907 17.878 ( 6.141 -0.031 0.000) 6.141 17.899 ( -5.599 -10.485 0.000) 11.886 18.213 ( -2.245 -15.519 0.000) 15.681 18.280 ( 1.559 -12.110 0.000) 12.210 19.096 ( 3.553 18.036 0.000) 18.382 19.368 ( -4.700 -7.404 0.000) 8.770 19.371 ( 0.775 2.352 0.000) 2.476 19.664 ( -3.340 15.540 0.000) 15.894 20.177 ( 9.225 -18.632 0.000) 20.791 20.447 ( -10.084 -2.273 0.000) 10.337 20.645 ( 7.675 -21.350 0.000) 22.688 20.705 ( -9.056 13.452 0.000) 16.216 21.033 ( 1.091 6.893 0.000) 6.979 21.294 ( -3.133 -12.208 0.000) 12.604 21.586 ( 2.592 1.763 0.000) 3.135 21.656 ( -11.783 -2.125 0.000) 11.974 21.661 ( -10.074 -7.916 0.000) 12.812 21.820 ( 4.668 -1.594 0.000) 4.933 22.229 ( -2.294 -2.478 0.000) 3.377 22.290 ( 8.342 -8.271 0.000) 11.747 26.696 ( 4.382 9.623 0.000) 10.573 26.699 ( 3.487 9.401 0.000) 10.027 27.010 ( -1.449 13.054 0.000) 13.134 27.052 ( -0.673 13.725 0.000) 13.741 27.526 ( 1.377 -9.918 0.000) 10.013 27.529 ( 2.259 -9.337 0.000) 9.606 28.086 ( -11.089 -5.905 0.000) 12.563 28.093 ( -11.286 -9.096 0.000) 14.495 28.474 ( 4.459 2.493 0.000) 5.108 28.600 ( 2.996 1.822 0.000) 3.506 28.863 ( 9.765 -8.563 0.000) 12.988 28.915 ( 12.797 -5.228 0.000) 13.823 29.182 ( -0.012 10.351 0.000) 10.351 29.263 ( -2.935 4.487 0.000) 5.362 29.466 ( 2.694 2.927 0.000) 3.978 29.499 ( 1.881 12.537 0.000) 12.677 30.064 ( -3.312 17.345 0.000) 17.658 30.400 ( -1.874 -0.657 0.000) 1.986 30.407 ( 2.322 -0.245 0.000) 2.335 30.446 ( -0.157 8.172 0.000) 8.173 30.631 ( 1.155 3.238 0.000) 3.438 30.723 ( 7.024 -0.098 0.000) 7.024 30.790 ( 0.316 -9.722 0.000) 9.727 31.271 ( -13.196 -32.381 0.000) 34.967 ======================= Grid point 23 (15/48) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 18.683 27.013 0.000) 32.844 3.101 ( -1.386 15.876 0.000) 15.936 3.278 ( 25.091 13.297 0.000) 28.397 3.432 ( 7.624 14.606 0.000) 16.476 3.523 ( 4.911 22.853 0.000) 23.375 3.743 ( -2.522 3.022 0.000) 3.937 3.758 ( 6.086 4.856 0.000) 7.786 3.944 ( 10.889 2.788 0.000) 11.240 3.997 ( -4.152 4.511 0.000) 6.131 4.019 ( -9.742 -2.101 0.000) 9.966 4.138 ( -2.169 3.392 0.000) 4.026 4.244 ( -5.752 6.318 0.000) 8.543 4.261 ( -3.785 20.471 0.000) 20.818 4.382 ( 6.847 -3.912 0.000) 7.886 4.470 ( 12.728 2.747 0.000) 13.021 4.471 ( -7.281 23.393 0.000) 24.499 4.524 ( -4.486 4.530 0.000) 6.375 4.630 ( 4.117 15.599 0.000) 16.133 4.635 ( -5.711 -2.722 0.000) 6.326 4.729 ( -3.711 1.779 0.000) 4.115 4.831 ( -10.382 -2.333 0.000) 10.641 4.972 ( 1.679 -0.423 0.000) 1.731 5.044 ( -3.684 -1.075 0.000) 3.838 5.105 ( 17.825 17.163 0.000) 24.744 5.181 ( 0.072 -1.945 0.000) 1.946 5.216 ( 4.743 -1.617 0.000) 5.011 5.350 ( 4.736 4.118 0.000) 6.276 5.370 ( 1.802 1.447 0.000) 2.311 5.428 ( 0.989 3.254 0.000) 3.401 5.434 ( 5.850 -6.834 0.000) 8.996 5.553 ( 7.007 -3.825 0.000) 7.983 5.674 ( -1.477 -5.474 0.000) 5.669 5.738 ( 0.126 4.391 0.000) 4.393 5.759 ( 4.977 -10.666 0.000) 11.770 5.801 ( 0.768 5.861 0.000) 5.911 5.866 ( 2.327 0.578 0.000) 2.397 5.894 ( 0.313 1.826 0.000) 1.853 5.948 ( -1.619 -5.000 0.000) 5.256 6.145 ( -1.956 11.798 0.000) 11.959 6.166 ( -2.163 -1.629 0.000) 2.708 6.249 ( 0.729 -6.482 0.000) 6.523 6.350 ( 1.259 -1.526 0.000) 1.979 6.377 ( 1.641 3.111 0.000) 3.517 6.389 ( -3.062 6.051 0.000) 6.781 6.487 ( -6.100 -6.858 0.000) 9.178 6.519 ( -7.426 -3.553 0.000) 8.232 6.551 ( 0.647 0.269 0.000) 0.701 6.708 ( 1.749 15.505 0.000) 15.604 6.764 ( -11.652 21.222 0.000) 24.211 7.006 ( 2.900 10.324 0.000) 10.724 7.041 ( 6.189 9.487 0.000) 11.328 7.131 ( -1.710 -6.735 0.000) 6.948 7.155 ( -16.617 16.959 0.000) 23.743 7.266 ( -1.024 12.188 0.000) 12.231 7.283 ( -5.756 7.808 0.000) 9.700 7.410 ( 8.575 -2.626 0.000) 8.968 7.445 ( -2.037 2.529 0.000) 3.247 7.604 ( -4.071 14.156 0.000) 14.730 7.633 ( 1.059 7.820 0.000) 7.891 7.638 ( -1.045 1.278 0.000) 1.651 7.656 ( 3.379 -5.678 0.000) 6.608 7.880 ( 1.450 -0.434 0.000) 1.513 7.938 ( 2.630 6.025 0.000) 6.574 8.028 ( 1.453 18.758 0.000) 18.815 8.122 ( -2.277 0.495 0.000) 2.331 8.250 ( 5.557 11.155 0.000) 12.463 8.282 ( -6.965 4.991 0.000) 8.569 8.380 ( 1.652 -3.005 0.000) 3.429 8.429 ( -0.253 2.330 0.000) 2.343 8.477 ( -0.859 -5.992 0.000) 6.053 8.540 ( 2.696 -8.835 0.000) 9.237 8.584 ( -7.550 -7.512 0.000) 10.650 8.659 ( 2.569 3.563 0.000) 4.392 8.740 ( 5.682 -4.081 0.000) 6.996 8.746 ( 0.721 -5.591 0.000) 5.638 8.807 ( 5.777 -3.019 0.000) 6.519 9.072 ( 3.468 1.541 0.000) 3.795 9.125 ( -1.124 2.971 0.000) 3.177 9.218 ( -4.930 1.042 0.000) 5.039 9.261 ( 6.640 -2.848 0.000) 7.225 9.422 ( -7.757 -3.995 0.000) 8.725 9.459 ( 6.721 -6.673 0.000) 9.471 9.643 ( -1.516 2.635 0.000) 3.040 9.646 ( 1.695 -11.183 0.000) 11.311 9.758 ( -2.402 -7.137 0.000) 7.531 9.830 ( 6.928 0.706 0.000) 6.964 9.938 ( -1.282 1.611 0.000) 2.059 10.033 ( -6.538 -0.445 0.000) 6.553 10.138 ( -5.873 -2.785 0.000) 6.500 10.276 ( -7.678 0.392 0.000) 7.688 10.376 ( 6.181 -0.565 0.000) 6.207 10.391 ( 0.233 -3.972 0.000) 3.978 10.459 ( 4.370 -8.552 0.000) 9.604 10.621 ( -1.923 -4.907 0.000) 5.271 10.697 ( -1.539 -4.871 0.000) 5.108 10.730 ( -4.493 -0.815 0.000) 4.566 10.775 ( 2.766 -9.274 0.000) 9.678 10.871 ( -0.238 -3.812 0.000) 3.820 10.954 ( -1.090 -1.526 0.000) 1.875 11.016 ( -5.125 -6.662 0.000) 8.405 11.595 ( 6.940 19.873 0.000) 21.050 11.744 ( 4.593 10.934 0.000) 11.859 12.060 ( -6.877 7.480 0.000) 10.161 12.101 ( -13.442 12.129 0.000) 18.105 12.562 ( 1.657 -5.253 0.000) 5.508 12.621 ( -0.344 -8.631 0.000) 8.638 12.703 ( 6.887 -4.693 0.000) 8.334 12.761 ( 5.593 -5.306 0.000) 7.709 12.984 ( 2.696 -3.997 0.000) 4.822 13.003 ( 0.479 -1.177 0.000) 1.271 13.385 ( -16.666 1.706 0.000) 16.753 13.394 ( -17.125 5.670 0.000) 18.039 13.777 ( -1.587 -3.549 0.000) 3.888 13.814 ( -2.049 -1.687 0.000) 2.654 13.912 ( 1.714 -6.296 0.000) 6.525 14.034 ( -2.799 0.631 0.000) 2.870 14.258 ( 3.949 -2.825 0.000) 4.856 14.305 ( 6.712 -6.642 0.000) 9.443 14.333 ( -1.779 -6.009 0.000) 6.267 14.499 ( 1.039 -10.648 0.000) 10.699 14.554 ( 0.719 -18.969 0.000) 18.982 14.649 ( 5.141 -14.136 0.000) 15.042 14.716 ( -1.220 -9.446 0.000) 9.525 14.924 ( 8.376 -12.117 0.000) 14.730 15.119 ( -7.101 12.732 0.000) 14.578 15.254 ( -0.633 11.240 0.000) 11.258 15.291 ( 2.089 0.839 0.000) 2.251 15.434 ( -1.535 3.602 0.000) 3.915 15.686 ( 9.375 13.671 0.000) 16.577 15.819 ( 7.353 12.254 0.000) 14.291 15.912 ( 0.089 6.342 0.000) 6.342 16.027 ( -1.614 10.599 0.000) 10.721 16.969 ( 16.230 6.319 0.000) 17.417 17.282 ( 10.743 -5.044 0.000) 11.868 17.558 ( -13.820 -14.548 0.000) 20.066 17.749 ( -10.007 -10.226 0.000) 14.308 17.794 ( 7.993 -0.779 0.000) 8.031 18.025 ( 8.545 -1.192 0.000) 8.627 18.121 ( -7.153 -10.321 0.000) 12.558 18.278 ( -2.391 -8.168 0.000) 8.511 19.193 ( 6.282 16.990 0.000) 18.114 19.315 ( 0.474 -0.416 0.000) 0.631 19.385 ( -0.605 7.018 0.000) 7.044 19.558 ( -7.593 13.119 0.000) 15.158 20.187 ( -4.711 1.648 0.000) 4.991 20.458 ( -14.135 10.615 0.000) 17.677 20.481 ( 11.344 -5.228 0.000) 12.490 20.783 ( 2.426 -10.753 0.000) 11.023 21.016 ( 0.261 -4.381 0.000) 4.389 21.187 ( -6.407 -13.982 0.000) 15.380 21.454 ( -7.140 -4.108 0.000) 8.237 21.515 ( -5.662 -10.347 0.000) 11.795 21.713 ( 9.087 2.295 0.000) 9.372 21.931 ( 4.488 -1.158 0.000) 4.636 22.181 ( -1.001 -4.218 0.000) 4.335 22.357 ( -1.522 -8.095 0.000) 8.237 26.779 ( 4.473 8.208 0.000) 9.348 26.800 ( 5.570 8.791 0.000) 10.407 26.971 ( -2.250 9.136 0.000) 9.409 27.024 ( -2.392 9.128 0.000) 9.437 27.568 ( 2.972 -8.272 0.000) 8.789 27.585 ( 3.293 -7.353 0.000) 8.057 27.890 ( -9.020 -5.802 0.000) 10.724 27.893 ( -8.349 -3.972 0.000) 9.245 28.601 ( 8.415 3.286 0.000) 9.033 28.709 ( 7.597 3.666 0.000) 8.435 28.927 ( -3.454 -1.071 0.000) 3.616 29.011 ( -3.315 2.459 0.000) 4.127 29.199 ( 1.593 8.569 0.000) 8.716 29.223 ( -0.620 2.008 0.000) 2.102 29.554 ( 3.600 11.876 0.000) 12.410 29.581 ( 6.387 -3.683 0.000) 7.373 30.078 ( 7.697 8.474 0.000) 11.447 30.357 ( -0.894 0.098 0.000) 0.899 30.449 ( 1.753 -0.154 0.000) 1.760 30.508 ( 4.030 2.112 0.000) 4.550 30.628 ( -1.451 -0.940 0.000) 1.729 30.798 ( -1.702 -7.709 0.000) 7.895 30.811 ( 1.734 -6.087 0.000) 6.329 30.948 ( -16.859 -20.214 0.000) 26.322 ======================= Grid point 24 (16/48) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -16.462 19.332 0.000) 25.392 2.911 ( 16.462 19.332 0.000) 25.392 3.550 ( -2.990 18.675 0.000) 18.913 3.550 ( 2.990 18.675 0.000) 18.913 3.697 ( -14.641 8.705 0.000) 17.033 3.697 ( 14.641 8.705 0.000) 17.033 3.813 ( -9.786 2.914 0.000) 10.211 3.813 ( 9.786 2.914 0.000) 10.211 4.014 ( -6.658 1.161 0.000) 6.759 4.014 ( 6.658 1.161 0.000) 6.759 4.127 ( -7.484 4.646 0.000) 8.809 4.127 ( 7.484 4.646 0.000) 8.809 4.290 ( -6.129 23.452 0.000) 24.240 4.290 ( 6.129 23.452 0.000) 24.240 4.479 ( -3.620 -1.374 0.000) 3.872 4.479 ( 3.620 -1.374 0.000) 3.872 4.569 ( -1.971 2.530 0.000) 3.207 4.569 ( 1.971 2.530 0.000) 3.207 4.678 ( -3.527 -0.746 0.000) 3.605 4.678 ( 3.527 -0.746 0.000) 3.605 4.882 ( -12.181 -1.887 0.000) 12.326 4.882 ( 12.181 -1.887 0.000) 12.326 5.067 ( -6.842 0.241 0.000) 6.846 5.067 ( 6.842 0.241 0.000) 6.846 5.301 ( -0.506 -3.056 0.000) 3.098 5.301 ( 0.506 -3.056 0.000) 3.098 5.424 ( -0.675 1.590 0.000) 1.727 5.424 ( 0.675 1.590 0.000) 1.727 5.552 ( -11.245 10.605 0.000) 15.456 5.552 ( 11.245 10.605 0.000) 15.456 5.599 ( -8.950 -4.528 0.000) 10.030 5.599 ( 8.950 -4.528 0.000) 10.030 5.748 ( -10.529 4.593 0.000) 11.487 5.748 ( 10.529 4.593 0.000) 11.487 5.867 ( -5.605 -6.371 0.000) 8.486 5.867 ( 5.605 -6.371 0.000) 8.486 5.901 ( -3.404 4.233 0.000) 5.432 5.901 ( 3.404 4.233 0.000) 5.432 6.124 ( -1.225 3.197 0.000) 3.423 6.124 ( 1.225 3.197 0.000) 3.423 6.265 ( -4.549 -7.025 0.000) 8.369 6.265 ( 4.549 -7.025 0.000) 8.369 6.368 ( -1.411 0.747 0.000) 1.597 6.368 ( 1.411 0.747 0.000) 1.597 6.475 ( -3.197 4.114 0.000) 5.210 6.475 ( 3.197 4.114 0.000) 5.210 6.622 ( -3.945 15.197 0.000) 15.701 6.622 ( 3.945 15.197 0.000) 15.701 6.765 ( -17.495 9.455 0.000) 19.886 6.765 ( 17.495 9.455 0.000) 19.886 7.087 ( -3.619 4.392 0.000) 5.691 7.087 ( 3.619 4.392 0.000) 5.691 7.214 ( -5.660 18.704 0.000) 19.541 7.214 ( 5.660 18.704 0.000) 19.541 7.307 ( -8.345 6.740 0.000) 10.727 7.307 ( 8.345 6.740 0.000) 10.727 7.559 ( -5.001 -7.296 0.000) 8.846 7.559 ( 5.001 -7.296 0.000) 8.846 7.610 ( -1.044 11.768 0.000) 11.814 7.610 ( 1.044 11.768 0.000) 11.814 7.814 ( -8.301 -1.639 0.000) 8.461 7.814 ( 8.301 -1.639 0.000) 8.461 8.026 ( -6.866 -2.328 0.000) 7.250 8.026 ( 6.866 -2.328 0.000) 7.250 8.127 ( -8.130 14.944 0.000) 17.013 8.127 ( 8.130 14.944 0.000) 17.013 8.334 ( -3.611 16.288 0.000) 16.684 8.334 ( 3.611 16.288 0.000) 16.684 8.429 ( -4.179 -9.954 0.000) 10.795 8.429 ( 4.179 -9.954 0.000) 10.795 8.551 ( -1.475 -12.498 0.000) 12.585 8.551 ( 1.475 -12.498 0.000) 12.585 8.728 ( -2.980 -3.987 0.000) 4.978 8.728 ( 2.980 -3.987 0.000) 4.978 8.884 ( -3.159 -3.471 0.000) 4.694 8.884 ( 3.159 -3.471 0.000) 4.694 9.041 ( -1.198 3.605 0.000) 3.799 9.041 ( 1.198 3.605 0.000) 3.799 9.265 ( -6.777 -0.927 0.000) 6.840 9.265 ( 6.777 -0.927 0.000) 6.840 9.435 ( -12.013 1.296 0.000) 12.083 9.435 ( 12.013 1.296 0.000) 12.083 9.665 ( -1.093 -9.365 0.000) 9.429 9.665 ( 1.093 -9.365 0.000) 9.429 9.817 ( -13.068 -1.692 0.000) 13.177 9.817 ( 13.068 -1.692 0.000) 13.177 9.967 ( -4.144 0.650 0.000) 4.195 9.967 ( 4.144 0.650 0.000) 4.195 10.103 ( -6.563 -1.128 0.000) 6.660 10.103 ( 6.563 -1.128 0.000) 6.660 10.411 ( -0.885 -3.569 0.000) 3.677 10.411 ( 0.885 -3.569 0.000) 3.677 10.564 ( -4.512 -8.567 0.000) 9.682 10.564 ( 4.512 -8.567 0.000) 9.682 10.681 ( -0.349 -1.068 0.000) 1.123 10.681 ( 0.349 -1.068 0.000) 1.123 10.840 ( -3.155 -8.418 0.000) 8.989 10.840 ( 3.155 -8.418 0.000) 8.989 10.950 ( -1.152 -4.420 0.000) 4.568 10.950 ( 1.152 -4.420 0.000) 4.568 11.760 ( -7.871 14.184 0.000) 16.221 11.760 ( 7.871 14.184 0.000) 16.221 11.938 ( -2.805 14.139 0.000) 14.415 11.938 ( 2.805 14.139 0.000) 14.415 12.597 ( -1.727 -8.330 0.000) 8.507 12.597 ( 1.727 -8.330 0.000) 8.507 12.809 ( -2.320 -8.480 0.000) 8.792 12.809 ( 2.320 -8.480 0.000) 8.792 13.098 ( -2.130 -2.941 0.000) 3.631 13.098 ( 2.130 -2.941 0.000) 3.631 13.123 ( -2.862 7.908 0.000) 8.409 13.123 ( 2.862 7.908 0.000) 8.409 13.777 ( -1.344 -2.845 0.000) 3.146 13.777 ( 1.344 -2.845 0.000) 3.146 13.970 ( -3.621 -2.975 0.000) 4.686 13.970 ( 3.621 -2.975 0.000) 4.686 14.290 ( -1.712 -7.733 0.000) 7.920 14.290 ( 1.712 -7.733 0.000) 7.920 14.454 ( -6.366 -3.783 0.000) 7.405 14.454 ( 6.366 -3.783 0.000) 7.405 14.583 ( -3.646 -21.771 0.000) 22.074 14.583 ( 3.646 -21.771 0.000) 22.074 14.892 ( -10.401 -5.076 0.000) 11.574 14.892 ( 10.401 -5.076 0.000) 11.574 15.140 ( -7.458 3.757 0.000) 8.351 15.140 ( 7.458 3.757 0.000) 8.351 15.383 ( -3.888 8.212 0.000) 9.086 15.383 ( 3.888 8.212 0.000) 9.086 15.827 ( -4.832 9.071 0.000) 10.278 15.827 ( 4.832 9.071 0.000) 10.278 15.973 ( -4.240 11.180 0.000) 11.957 15.973 ( 4.240 11.180 0.000) 11.957 17.278 ( -15.417 -9.689 0.000) 18.209 17.278 ( 15.417 -9.689 0.000) 18.209 17.522 ( -13.159 -7.752 0.000) 15.273 17.522 ( 13.159 -7.752 0.000) 15.273 17.960 ( -8.995 -4.521 0.000) 10.067 17.960 ( 8.995 -4.521 0.000) 10.067 18.182 ( -7.236 -3.650 0.000) 8.105 18.182 ( 7.236 -3.650 0.000) 8.105 19.316 ( -5.951 12.027 0.000) 13.419 19.316 ( 5.951 12.027 0.000) 13.419 19.401 ( -7.667 8.736 0.000) 11.623 19.401 ( 7.667 8.736 0.000) 11.623 20.222 ( -8.609 7.493 0.000) 11.413 20.222 ( 8.609 7.493 0.000) 11.413 20.692 ( -9.700 -0.412 0.000) 9.709 20.692 ( 9.700 -0.412 0.000) 9.709 21.085 ( -5.382 -14.697 0.000) 15.651 21.085 ( 5.382 -14.697 0.000) 15.651 21.419 ( -3.263 -9.557 0.000) 10.098 21.419 ( 3.263 -9.557 0.000) 10.098 21.889 ( -7.784 1.017 0.000) 7.850 21.889 ( 7.784 1.017 0.000) 7.850 22.259 ( -7.150 -7.058 0.000) 10.047 22.259 ( 7.150 -7.058 0.000) 10.047 26.850 ( -1.817 8.649 0.000) 8.838 26.850 ( 1.817 8.649 0.000) 8.838 26.965 ( -2.753 6.749 0.000) 7.289 26.965 ( 2.753 6.749 0.000) 7.289 27.621 ( -1.064 -7.529 0.000) 7.604 27.621 ( 1.064 -7.529 0.000) 7.604 27.793 ( -0.619 -3.704 0.000) 3.755 27.793 ( 0.619 -3.704 0.000) 3.755 28.774 ( -8.282 3.362 0.000) 8.939 28.774 ( 8.282 3.362 0.000) 8.939 28.884 ( -7.531 4.210 0.000) 8.628 28.884 ( 7.531 4.210 0.000) 8.628 29.218 ( -0.452 5.099 0.000) 5.119 29.218 ( 0.452 5.099 0.000) 5.119 29.614 ( -1.907 7.563 0.000) 7.800 29.614 ( 1.907 7.563 0.000) 7.800 30.312 ( -8.530 -5.515 0.000) 10.157 30.312 ( 8.530 -5.515 0.000) 10.157 30.522 ( -9.476 -9.174 0.000) 13.189 30.522 ( 9.476 -9.174 0.000) 13.189 30.592 ( -0.545 1.002 0.000) 1.140 30.592 ( 0.545 1.002 0.000) 1.140 30.845 ( -1.576 -5.314 0.000) 5.543 30.845 ( 1.576 -5.314 0.000) 5.543 ======================= Grid point 28 (17/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 0.000 30.625 0.000) 30.625 2.978 ( 0.000 14.791 0.000) 14.791 3.357 ( 0.000 28.426 0.000) 28.426 3.464 ( 0.000 11.792 0.000) 11.792 3.573 ( 0.000 -6.562 0.000) 6.562 3.718 ( 0.000 0.945 0.000) 0.945 3.849 ( 0.000 -7.030 0.000) 7.030 3.954 ( 0.000 0.415 0.000) 0.415 4.083 ( 0.000 -10.894 0.000) 10.894 4.086 ( 0.000 22.713 0.000) 22.713 4.087 ( 0.000 3.313 0.000) 3.313 4.248 ( 0.000 8.339 0.000) 8.339 4.282 ( 0.000 -1.129 0.000) 1.129 4.495 ( 0.000 -9.279 0.000) 9.279 4.597 ( 0.000 10.074 0.000) 10.074 4.684 ( 0.000 1.646 0.000) 1.646 4.704 ( 0.000 16.305 0.000) 16.305 4.742 ( 0.000 -8.619 0.000) 8.619 4.766 ( 0.000 -9.194 0.000) 9.194 4.895 ( 0.000 0.147 0.000) 0.147 4.960 ( 0.000 -2.360 0.000) 2.360 4.961 ( 0.000 1.477 0.000) 1.477 5.002 ( 0.000 9.329 0.000) 9.329 5.060 ( 0.000 2.488 0.000) 2.488 5.167 ( 0.000 0.760 0.000) 0.760 5.206 ( 0.000 -0.669 0.000) 0.669 5.257 ( 0.000 -0.765 0.000) 0.765 5.290 ( 0.000 -5.540 0.000) 5.540 5.458 ( 0.000 -4.187 0.000) 4.187 5.495 ( 0.000 18.289 0.000) 18.289 5.570 ( 0.000 -1.349 0.000) 1.349 5.631 ( 0.000 7.301 0.000) 7.301 5.648 ( 0.000 8.342 0.000) 8.342 5.670 ( 0.000 -6.207 0.000) 6.207 5.817 ( 0.000 11.490 0.000) 11.490 5.846 ( 0.000 2.701 0.000) 2.701 5.991 ( 0.000 0.418 0.000) 0.418 5.992 ( 0.000 -11.513 0.000) 11.513 6.026 ( 0.000 -5.979 0.000) 5.979 6.040 ( 0.000 2.152 0.000) 2.152 6.161 ( 0.000 -7.505 0.000) 7.505 6.278 ( 0.000 -5.800 0.000) 5.800 6.284 ( 0.000 6.230 0.000) 6.230 6.291 ( 0.000 15.371 0.000) 15.371 6.496 ( 0.000 -2.000 0.000) 2.000 6.626 ( 0.000 0.375 0.000) 0.375 6.654 ( 0.000 8.244 0.000) 8.244 6.819 ( 0.000 -8.566 0.000) 8.566 6.825 ( 0.000 -14.952 0.000) 14.952 6.857 ( 0.000 -15.411 0.000) 15.411 6.969 ( 0.000 -7.664 0.000) 7.664 7.076 ( 0.000 -13.451 0.000) 13.451 7.326 ( 0.000 6.150 0.000) 6.150 7.382 ( 0.000 -5.384 0.000) 5.384 7.393 ( 0.000 -6.951 0.000) 6.951 7.439 ( 0.000 -4.789 0.000) 4.789 7.529 ( 0.000 0.733 0.000) 0.733 7.650 ( 0.000 -4.560 0.000) 4.560 7.666 ( 0.000 -9.490 0.000) 9.490 7.674 ( 0.000 -4.762 0.000) 4.762 7.912 ( 0.000 20.685 0.000) 20.685 7.962 ( 0.000 31.113 0.000) 31.113 7.993 ( 0.000 0.176 0.000) 0.176 8.294 ( 0.000 -0.179 0.000) 0.179 8.320 ( 0.000 -4.454 0.000) 4.454 8.373 ( 0.000 -3.704 0.000) 3.704 8.395 ( 0.000 18.681 0.000) 18.681 8.403 ( 0.000 14.850 0.000) 14.850 8.467 ( 0.000 6.444 0.000) 6.444 8.547 ( 0.000 -9.143 0.000) 9.143 8.641 ( 0.000 9.588 0.000) 9.588 8.723 ( 0.000 23.633 0.000) 23.633 8.731 ( 0.000 -5.611 0.000) 5.611 8.781 ( 0.000 20.650 0.000) 20.650 8.845 ( 0.000 3.935 0.000) 3.935 8.893 ( 0.000 -0.344 0.000) 0.344 8.986 ( 0.000 31.009 0.000) 31.009 9.038 ( 0.000 15.065 0.000) 15.065 9.093 ( 0.000 7.685 0.000) 7.685 9.130 ( 0.000 -10.215 0.000) 10.215 9.317 ( 0.000 -0.753 0.000) 0.753 9.397 ( 0.000 -0.919 0.000) 0.919 9.502 ( 0.000 -4.482 0.000) 4.482 9.774 ( 0.000 -13.493 0.000) 13.493 9.814 ( 0.000 -13.618 0.000) 13.618 9.891 ( 0.000 1.043 0.000) 1.043 9.894 ( 0.000 -16.986 0.000) 16.986 9.956 ( 0.000 5.729 0.000) 5.729 10.140 ( 0.000 4.229 0.000) 4.229 10.201 ( 0.000 -2.067 0.000) 2.067 10.247 ( 0.000 -8.115 0.000) 8.115 10.293 ( 0.000 -0.895 0.000) 0.895 10.452 ( 0.000 -15.488 0.000) 15.488 10.500 ( 0.000 -0.575 0.000) 0.575 10.511 ( 0.000 -2.086 0.000) 2.086 10.532 ( 0.000 -18.336 0.000) 18.336 10.910 ( 0.000 3.496 0.000) 3.496 10.981 ( 0.000 -2.179 0.000) 2.179 11.006 ( 0.000 7.771 0.000) 7.771 11.197 ( 0.000 -2.172 0.000) 2.172 11.890 ( 0.000 16.325 0.000) 16.325 11.907 ( 0.000 25.794 0.000) 25.794 12.232 ( 0.000 -3.708 0.000) 3.708 12.387 ( 0.000 -3.441 0.000) 3.441 12.452 ( 0.000 2.960 0.000) 2.960 12.476 ( 0.000 1.715 0.000) 1.715 12.577 ( 0.000 -2.018 0.000) 2.018 12.579 ( 0.000 -3.278 0.000) 3.278 12.923 ( 0.000 -2.963 0.000) 2.963 12.951 ( 0.000 -3.754 0.000) 3.754 13.517 ( 0.000 -25.074 0.000) 25.074 13.586 ( 0.000 -26.187 0.000) 26.187 13.849 ( 0.000 0.320 0.000) 0.320 13.866 ( 0.000 -1.935 0.000) 1.935 13.954 ( 0.000 -1.217 0.000) 1.217 13.991 ( 0.000 -1.676 0.000) 1.676 14.015 ( 0.000 -0.863 0.000) 0.863 14.051 ( 0.000 -6.924 0.000) 6.924 14.077 ( 0.000 -8.806 0.000) 8.806 14.139 ( 0.000 -11.021 0.000) 11.021 14.535 ( 0.000 0.315 0.000) 0.315 14.545 ( 0.000 2.924 0.000) 2.924 14.609 ( 0.000 -4.207 0.000) 4.207 14.671 ( 0.000 -2.163 0.000) 2.163 15.440 ( 0.000 12.375 0.000) 12.375 15.503 ( 0.000 7.457 0.000) 7.457 15.535 ( 0.000 14.270 0.000) 14.270 15.551 ( 0.000 12.275 0.000) 12.275 15.624 ( 0.000 10.865 0.000) 10.865 15.722 ( 0.000 9.531 0.000) 9.531 15.912 ( 0.000 -3.283 0.000) 3.283 16.106 ( 0.000 -6.021 0.000) 6.021 17.039 ( 0.000 17.092 0.000) 17.092 17.302 ( 0.000 19.887 0.000) 19.887 17.631 ( 0.000 1.111 0.000) 1.111 17.693 ( 0.000 -15.603 0.000) 15.603 17.786 ( 0.000 -5.597 0.000) 5.597 17.795 ( 0.000 -1.773 0.000) 1.773 17.877 ( 0.000 -13.468 0.000) 13.468 18.009 ( 0.000 -15.046 0.000) 15.046 19.282 ( 0.000 0.373 0.000) 0.373 19.452 ( 0.000 8.718 0.000) 8.718 19.486 ( 0.000 21.238 0.000) 21.238 19.665 ( 0.000 -18.709 0.000) 18.709 20.084 ( 0.000 23.439 0.000) 23.439 20.087 ( 0.000 -22.797 0.000) 22.797 20.311 ( 0.000 -17.665 0.000) 17.665 20.996 ( 0.000 -20.681 0.000) 20.681 21.091 ( 0.000 13.826 0.000) 13.826 21.280 ( 0.000 13.441 0.000) 13.441 21.498 ( 0.000 -6.632 0.000) 6.632 21.652 ( 0.000 -6.640 0.000) 6.640 21.762 ( 0.000 -2.206 0.000) 2.206 21.786 ( 0.000 -1.579 0.000) 1.579 22.068 ( 0.000 0.279 0.000) 0.279 22.189 ( 0.000 -4.039 0.000) 4.039 26.850 ( 0.000 10.597 0.000) 10.597 26.861 ( 0.000 10.527 0.000) 10.527 27.285 ( 0.000 -12.025 0.000) 12.025 27.291 ( 0.000 -11.968 0.000) 11.968 27.314 ( 0.000 15.556 0.000) 15.556 27.375 ( 0.000 16.688 0.000) 16.688 27.947 ( 0.000 -16.911 0.000) 16.911 27.996 ( 0.000 -14.963 0.000) 14.963 28.473 ( 0.000 2.180 0.000) 2.180 28.567 ( 0.000 -2.875 0.000) 2.875 28.628 ( 0.000 -0.181 0.000) 0.181 28.672 ( 0.000 -2.162 0.000) 2.162 29.348 ( 0.000 6.321 0.000) 6.321 29.378 ( 0.000 3.241 0.000) 3.241 29.602 ( 0.000 8.211 0.000) 8.211 29.687 ( 0.000 7.848 0.000) 7.848 30.377 ( 0.000 0.326 0.000) 0.326 30.380 ( 0.000 9.523 0.000) 9.523 30.409 ( 0.000 1.105 0.000) 1.105 30.621 ( 0.000 -5.200 0.000) 5.200 30.624 ( 0.000 -2.238 0.000) 2.238 30.641 ( 0.000 1.663 0.000) 1.663 30.706 ( 0.000 4.017 0.000) 4.017 30.843 ( 0.000 -18.652 0.000) 18.652 ======================= Grid point 29 (18/48) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 7.470 28.931 0.000) 29.880 3.109 ( 11.621 10.243 0.000) 15.491 3.413 ( 5.952 24.204 0.000) 24.925 3.492 ( 3.981 7.688 0.000) 8.658 3.662 ( 7.544 -2.284 0.000) 7.882 3.786 ( 4.844 -1.622 0.000) 5.108 3.842 ( -0.597 -2.523 0.000) 2.593 3.921 ( -0.146 17.765 0.000) 17.766 4.029 ( -4.617 -7.583 0.000) 8.878 4.095 ( 3.008 0.741 0.000) 3.097 4.102 ( 1.127 2.222 0.000) 2.491 4.278 ( 1.184 3.865 0.000) 4.043 4.381 ( 7.662 7.338 0.000) 10.609 4.434 ( -6.326 -4.106 0.000) 7.542 4.543 ( -1.675 2.422 0.000) 2.945 4.658 ( -0.953 8.599 0.000) 8.652 4.709 ( -4.642 -4.730 0.000) 6.627 4.737 ( 0.470 7.980 0.000) 7.993 4.846 ( 4.655 -6.085 0.000) 7.661 4.883 ( -3.235 -4.116 0.000) 5.235 4.908 ( -3.693 3.733 0.000) 5.251 4.966 ( 3.270 1.784 0.000) 3.725 5.008 ( -2.363 1.921 0.000) 3.046 5.138 ( -0.164 3.756 0.000) 3.760 5.166 ( 0.474 -6.574 0.000) 6.591 5.188 ( 5.602 11.510 0.000) 12.801 5.253 ( 2.356 0.565 0.000) 2.423 5.325 ( 1.088 -5.561 0.000) 5.666 5.424 ( 1.592 -2.676 0.000) 3.113 5.492 ( 1.011 6.578 0.000) 6.655 5.546 ( -4.056 1.856 0.000) 4.461 5.629 ( -1.128 7.309 0.000) 7.395 5.633 ( -1.322 11.226 0.000) 11.303 5.677 ( 2.929 -9.786 0.000) 10.215 5.866 ( -0.129 1.607 0.000) 1.612 5.880 ( 2.099 10.778 0.000) 10.980 5.950 ( -0.247 1.876 0.000) 1.892 5.981 ( -0.399 3.130 0.000) 3.156 6.101 ( 3.641 0.845 0.000) 3.738 6.159 ( 5.081 -4.398 0.000) 6.720 6.199 ( -2.729 3.432 0.000) 4.385 6.219 ( 8.873 -3.407 0.000) 9.505 6.285 ( 1.186 -11.092 0.000) 11.156 6.290 ( -0.071 1.454 0.000) 1.455 6.545 ( -8.589 -1.784 0.000) 8.773 6.560 ( 2.680 2.096 0.000) 3.402 6.663 ( 4.477 0.911 0.000) 4.569 6.682 ( -9.875 -2.077 0.000) 10.091 6.900 ( 3.886 -6.909 0.000) 7.927 6.905 ( 5.698 -7.155 0.000) 9.146 7.025 ( 9.099 -12.301 0.000) 15.301 7.146 ( -4.966 -10.521 0.000) 11.634 7.256 ( -0.886 -7.854 0.000) 7.904 7.301 ( -2.857 2.479 0.000) 3.782 7.330 ( -1.724 -4.718 0.000) 5.023 7.380 ( -3.613 -3.339 0.000) 4.920 7.579 ( -2.834 -0.216 0.000) 2.842 7.625 ( 6.122 3.011 0.000) 6.822 7.704 ( -2.397 0.750 0.000) 2.512 7.874 ( 11.941 -12.752 0.000) 17.470 7.895 ( -2.117 16.622 0.000) 16.756 7.979 ( 2.599 20.445 0.000) 20.609 8.034 ( 2.111 -0.088 0.000) 2.113 8.191 ( -9.373 7.016 0.000) 11.708 8.227 ( -7.614 -0.960 0.000) 7.674 8.307 ( 0.511 6.411 0.000) 6.432 8.395 ( -2.647 1.500 0.000) 3.042 8.491 ( -0.276 18.462 0.000) 18.464 8.508 ( 1.559 -7.573 0.000) 7.732 8.539 ( -2.527 11.986 0.000) 12.249 8.575 ( 0.026 3.098 0.000) 3.098 8.625 ( 0.030 0.699 0.000) 0.700 8.760 ( 0.601 19.139 0.000) 19.148 8.823 ( 7.562 15.954 0.000) 17.656 8.835 ( -0.912 2.973 0.000) 3.109 8.932 ( -3.911 27.644 0.000) 27.919 9.053 ( 6.149 9.244 0.000) 11.102 9.070 ( 3.577 8.723 0.000) 9.428 9.134 ( 3.886 2.945 0.000) 4.876 9.243 ( 9.480 -1.817 0.000) 9.653 9.296 ( -7.769 -4.706 0.000) 9.083 9.415 ( -5.862 -4.524 0.000) 7.404 9.450 ( 10.182 -3.028 0.000) 10.623 9.722 ( -10.014 -3.788 0.000) 10.706 9.734 ( -11.561 -4.903 0.000) 12.558 9.827 ( -3.051 -9.395 0.000) 9.878 9.841 ( 5.369 -10.719 0.000) 11.989 10.000 ( 0.067 -1.520 0.000) 1.522 10.194 ( 1.583 0.014 0.000) 1.583 10.211 ( 3.385 -0.909 0.000) 3.505 10.253 ( 1.117 -8.819 0.000) 8.890 10.311 ( 0.435 -0.915 0.000) 1.013 10.388 ( -1.714 -15.385 0.000) 15.480 10.434 ( -6.305 -1.282 0.000) 6.434 10.568 ( 2.830 -15.975 0.000) 16.224 10.579 ( 3.067 -5.377 0.000) 6.190 10.870 ( -9.186 2.831 0.000) 9.612 10.885 ( -2.375 2.492 0.000) 3.443 10.996 ( -2.291 2.165 0.000) 3.152 11.101 ( -8.846 -1.937 0.000) 9.056 11.905 ( 1.358 13.498 0.000) 13.566 11.940 ( 2.849 24.403 0.000) 24.569 12.195 ( -2.950 -1.717 0.000) 3.413 12.374 ( -1.603 1.193 0.000) 1.998 12.465 ( -1.066 -2.587 0.000) 2.798 12.489 ( 2.283 -0.733 0.000) 2.398 12.579 ( 0.713 -2.587 0.000) 2.684 12.630 ( 3.639 -2.174 0.000) 4.239 12.899 ( -0.433 0.310 0.000) 0.532 12.945 ( -0.233 -2.395 0.000) 2.406 13.525 ( 0.463 -22.235 0.000) 22.239 13.544 ( -4.507 -18.439 0.000) 18.981 13.815 ( -2.505 0.592 0.000) 2.574 13.820 ( -3.209 1.998 0.000) 3.780 13.908 ( -5.929 -1.219 0.000) 6.053 13.968 ( 0.486 -12.272 0.000) 12.281 14.077 ( 6.288 -0.415 0.000) 6.302 14.114 ( -1.687 -7.539 0.000) 7.726 14.193 ( 4.695 -5.637 0.000) 7.336 14.197 ( 11.598 -7.168 0.000) 13.634 14.303 ( -13.576 0.871 0.000) 13.604 14.460 ( -3.841 0.317 0.000) 3.855 14.624 ( -5.693 -7.846 0.000) 9.694 14.638 ( -2.300 -9.553 0.000) 9.826 15.429 ( -0.184 12.262 0.000) 12.264 15.451 ( -3.424 10.598 0.000) 11.137 15.538 ( 0.673 15.408 0.000) 15.423 15.582 ( 2.583 11.950 0.000) 12.226 15.732 ( 7.873 7.996 0.000) 11.221 15.833 ( 8.317 6.498 0.000) 10.554 15.931 ( 1.932 -2.118 0.000) 2.867 16.107 ( 0.068 -4.868 0.000) 4.869 17.018 ( -1.345 12.614 0.000) 12.686 17.319 ( 1.835 17.130 0.000) 17.228 17.540 ( -11.869 -13.687 0.000) 18.117 17.677 ( 4.444 1.017 0.000) 4.559 17.730 ( -5.287 -6.993 0.000) 8.766 17.861 ( 6.060 -1.223 0.000) 6.182 17.927 ( 2.365 -12.270 0.000) 12.496 18.061 ( 4.140 -12.155 0.000) 12.841 19.307 ( 3.132 3.586 0.000) 4.762 19.500 ( 1.727 21.781 0.000) 21.849 19.500 ( 4.899 11.226 0.000) 12.248 19.797 ( 11.840 -18.423 0.000) 21.899 20.051 ( -3.242 22.160 0.000) 22.396 20.210 ( 11.565 -22.676 0.000) 25.455 20.287 ( -1.888 -13.669 0.000) 13.799 20.932 ( -11.622 -0.652 0.000) 11.640 20.992 ( -4.475 -9.117 0.000) 10.156 21.145 ( -10.379 3.346 0.000) 10.905 21.508 ( -10.812 -5.849 0.000) 12.293 21.555 ( -11.886 -5.909 0.000) 13.274 21.659 ( 4.688 4.337 0.000) 6.386 21.804 ( 5.133 -1.807 0.000) 5.441 22.195 ( 6.872 -2.215 0.000) 7.220 22.197 ( -0.283 -1.053 0.000) 1.090 26.881 ( 1.949 9.670 0.000) 9.864 26.882 ( 3.216 9.858 0.000) 10.370 27.208 ( -5.311 2.118 0.000) 5.718 27.234 ( -3.992 -1.624 0.000) 4.310 27.372 ( 2.995 -0.220 0.000) 3.003 27.411 ( 2.673 3.986 0.000) 4.799 27.879 ( -6.037 -12.493 0.000) 13.875 27.918 ( -6.658 -10.893 0.000) 12.766 28.526 ( 5.525 2.989 0.000) 6.281 28.632 ( 6.267 0.939 0.000) 6.337 28.723 ( 8.294 -5.016 0.000) 9.693 28.806 ( 11.638 -5.447 0.000) 12.850 29.340 ( -0.890 5.565 0.000) 5.636 29.341 ( -3.670 3.516 0.000) 5.082 29.568 ( -3.158 7.218 0.000) 7.879 29.696 ( 0.802 6.616 0.000) 6.664 30.332 ( -3.715 9.000 0.000) 9.736 30.397 ( -1.574 0.204 0.000) 1.587 30.399 ( 1.737 -0.006 0.000) 1.737 30.537 ( -3.747 -1.762 0.000) 4.140 30.602 ( -1.422 -2.666 0.000) 3.021 30.734 ( 4.484 -0.440 0.000) 4.506 30.746 ( 3.064 2.152 0.000) 3.744 30.779 ( -5.965 -14.253 0.000) 15.450 ======================= Grid point 30 (19/48) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 11.549 23.799 0.000) 26.454 3.299 ( 5.222 7.781 0.000) 9.371 3.585 ( 11.082 13.694 0.000) 17.616 3.623 ( 8.854 6.004 0.000) 10.698 3.768 ( -2.204 0.239 0.000) 2.217 3.798 ( 5.141 0.548 0.000) 5.170 3.913 ( 6.514 10.288 0.000) 12.177 3.928 ( -5.100 -5.348 0.000) 7.390 4.057 ( 11.156 11.699 0.000) 16.165 4.117 ( -4.643 -0.991 0.000) 4.747 4.137 ( 1.685 7.134 0.000) 7.331 4.287 ( 2.526 -1.095 0.000) 2.753 4.296 ( -6.707 -0.578 0.000) 6.732 4.522 ( 6.765 3.155 0.000) 7.465 4.542 ( -1.925 -1.054 0.000) 2.195 4.572 ( -5.595 -2.593 0.000) 6.167 4.660 ( -2.193 12.271 0.000) 12.465 4.719 ( 2.338 4.885 0.000) 5.416 4.787 ( -6.864 -2.956 0.000) 7.474 4.832 ( -5.068 3.676 0.000) 6.261 4.851 ( -3.881 10.064 0.000) 10.786 4.962 ( 1.452 1.673 0.000) 2.216 4.981 ( -6.527 -2.356 0.000) 6.939 5.106 ( 4.068 -7.062 0.000) 8.150 5.228 ( -0.913 0.697 0.000) 1.149 5.256 ( -0.645 -3.907 0.000) 3.960 5.274 ( 2.202 -4.233 0.000) 4.771 5.418 ( 5.771 4.659 0.000) 7.417 5.487 ( 3.179 -1.507 0.000) 3.518 5.541 ( 1.789 4.885 0.000) 5.202 5.577 ( 5.889 -2.907 0.000) 6.567 5.606 ( 0.897 4.954 0.000) 5.034 5.642 ( 4.029 2.396 0.000) 4.687 5.738 ( 3.112 -4.689 0.000) 5.628 5.859 ( 0.730 0.051 0.000) 0.732 5.861 ( -0.370 13.333 0.000) 13.339 5.936 ( -3.268 -0.158 0.000) 3.272 5.954 ( -0.513 3.198 0.000) 3.239 6.105 ( -0.774 -0.842 0.000) 1.144 6.207 ( -5.522 -10.005 0.000) 11.428 6.230 ( 1.002 0.593 0.000) 1.164 6.246 ( 1.341 2.562 0.000) 2.892 6.327 ( 0.581 -8.836 0.000) 8.855 6.347 ( -4.853 -6.275 0.000) 7.932 6.474 ( 8.061 10.241 0.000) 13.032 6.565 ( 0.783 6.853 0.000) 6.898 6.632 ( 7.669 5.436 0.000) 9.400 6.787 ( 6.993 -0.872 0.000) 7.047 6.879 ( -8.708 -4.557 0.000) 9.828 6.999 ( 6.525 -2.650 0.000) 7.042 7.139 ( 9.066 5.695 0.000) 10.707 7.261 ( 3.184 -0.836 0.000) 3.292 7.276 ( -1.291 -15.565 0.000) 15.618 7.282 ( 8.233 -8.256 0.000) 11.660 7.308 ( -4.582 0.045 0.000) 4.582 7.323 ( 0.032 -4.713 0.000) 4.713 7.466 ( -7.914 4.405 0.000) 9.057 7.659 ( 0.274 8.200 0.000) 8.205 7.686 ( -0.580 6.207 0.000) 6.234 7.806 ( -5.468 11.414 0.000) 12.656 7.913 ( -7.041 -4.371 0.000) 8.287 7.983 ( -9.542 9.016 0.000) 13.128 8.030 ( -0.794 -1.475 0.000) 1.675 8.063 ( 1.396 -2.317 0.000) 2.705 8.225 ( 7.218 -4.578 0.000) 8.548 8.232 ( -4.068 -0.920 0.000) 4.171 8.383 ( -11.576 -6.982 0.000) 13.518 8.409 ( 1.708 -1.910 0.000) 2.562 8.493 ( 2.563 25.090 0.000) 25.221 8.611 ( 2.820 8.165 0.000) 8.638 8.627 ( 6.068 2.351 0.000) 6.507 8.667 ( 1.827 2.456 0.000) 3.061 8.769 ( 1.619 25.829 0.000) 25.880 8.821 ( -2.546 13.789 0.000) 14.022 8.870 ( 0.103 17.455 0.000) 17.455 8.908 ( -0.936 20.582 0.000) 20.603 9.096 ( -0.332 2.921 0.000) 2.939 9.142 ( -4.311 -0.747 0.000) 4.375 9.221 ( 3.238 1.881 0.000) 3.745 9.237 ( 8.723 -9.174 0.000) 12.659 9.318 ( 0.427 5.139 0.000) 5.157 9.440 ( 6.840 -4.997 0.000) 8.471 9.448 ( -9.333 -0.478 0.000) 9.345 9.566 ( -3.197 -8.094 0.000) 8.703 9.670 ( 3.869 -1.404 0.000) 4.116 9.845 ( 5.515 -3.606 0.000) 6.590 9.930 ( -7.083 -8.353 0.000) 10.952 9.949 ( 6.571 -2.479 0.000) 7.023 10.143 ( -7.693 1.708 0.000) 7.880 10.255 ( -4.403 -2.293 0.000) 4.964 10.274 ( 1.967 -8.177 0.000) 8.410 10.291 ( -0.374 -4.827 0.000) 4.841 10.350 ( -0.286 -4.255 0.000) 4.265 10.400 ( 1.337 -17.629 0.000) 17.680 10.618 ( 1.438 -4.302 0.000) 4.536 10.620 ( 2.682 -9.315 0.000) 9.693 10.698 ( -6.085 2.554 0.000) 6.599 10.826 ( -4.093 -0.727 0.000) 4.157 10.916 ( -8.593 -3.229 0.000) 9.179 10.931 ( -4.077 -1.411 0.000) 4.314 11.943 ( 2.555 9.547 0.000) 9.883 11.988 ( 1.519 18.660 0.000) 18.721 12.154 ( -0.621 2.325 0.000) 2.406 12.293 ( -6.330 7.478 0.000) 9.798 12.444 ( -1.146 -6.836 0.000) 6.931 12.480 ( -2.641 -5.491 0.000) 6.093 12.632 ( 3.766 -2.338 0.000) 4.433 12.680 ( 1.751 -3.062 0.000) 3.528 12.972 ( 7.738 4.142 0.000) 8.777 12.978 ( 4.590 1.455 0.000) 4.815 13.414 ( -8.830 -0.982 0.000) 8.885 13.485 ( -6.909 -2.783 0.000) 7.449 13.741 ( -4.028 -0.188 0.000) 4.032 13.744 ( -7.494 -5.548 0.000) 9.324 13.811 ( 2.360 -0.023 0.000) 2.360 13.967 ( -2.821 -23.671 0.000) 23.839 14.057 ( -1.341 -0.415 0.000) 1.404 14.104 ( -4.058 -10.950 0.000) 11.678 14.199 ( -2.700 -9.412 0.000) 9.792 14.223 ( 3.425 -5.498 0.000) 6.478 14.394 ( 1.518 -5.293 0.000) 5.506 14.445 ( 0.378 -2.634 0.000) 2.661 14.526 ( 5.083 -7.306 0.000) 8.900 14.667 ( 4.437 -12.900 0.000) 13.641 15.385 ( -3.210 12.972 0.000) 13.363 15.403 ( -2.620 10.839 0.000) 11.152 15.577 ( 2.830 15.375 0.000) 15.634 15.622 ( 1.187 12.467 0.000) 12.523 15.863 ( 5.255 3.862 0.000) 6.521 15.934 ( 1.596 -0.137 0.000) 1.602 16.006 ( 5.378 2.243 0.000) 5.827 16.106 ( -0.370 -2.417 0.000) 2.446 17.025 ( 2.614 4.035 0.000) 4.808 17.309 ( -11.390 -10.297 0.000) 15.354 17.374 ( 3.939 9.020 0.000) 9.843 17.607 ( -7.119 -5.266 0.000) 8.854 17.781 ( 5.847 -0.014 0.000) 5.847 17.938 ( -1.257 -8.198 0.000) 8.294 17.994 ( 7.079 -1.544 0.000) 7.245 18.123 ( 1.603 -8.099 0.000) 8.256 19.420 ( 8.655 11.301 0.000) 14.235 19.560 ( 4.522 20.627 0.000) 21.117 19.604 ( 4.088 15.376 0.000) 15.910 19.890 ( -8.342 18.135 0.000) 19.961 20.071 ( 8.775 -10.631 0.000) 13.785 20.328 ( 9.423 -9.933 0.000) 13.691 20.450 ( 8.442 -17.239 0.000) 19.195 20.651 ( -11.688 1.578 0.000) 11.794 20.870 ( -9.878 -16.574 0.000) 19.294 20.945 ( -9.532 -4.246 0.000) 10.435 21.279 ( -9.877 -10.301 0.000) 14.271 21.304 ( -11.575 -8.425 0.000) 14.316 21.817 ( 9.220 6.020 0.000) 11.012 21.944 ( 8.040 -0.033 0.000) 8.040 22.155 ( -3.797 1.290 0.000) 4.010 22.248 ( -1.524 -3.627 0.000) 3.934 26.932 ( 3.264 7.810 0.000) 8.465 26.962 ( 4.646 8.185 0.000) 9.412 27.107 ( -4.908 3.748 0.000) 6.175 27.154 ( -4.228 2.937 0.000) 5.148 27.426 ( 2.697 -5.002 0.000) 5.683 27.459 ( 2.037 -4.497 0.000) 4.937 27.761 ( -5.258 -6.575 0.000) 8.418 27.790 ( -5.909 -6.133 0.000) 8.516 28.669 ( 8.788 3.970 0.000) 9.644 28.788 ( 9.280 4.311 0.000) 10.233 28.866 ( 4.537 -4.389 0.000) 6.313 29.006 ( 5.789 -3.423 0.000) 6.725 29.262 ( -3.237 2.454 0.000) 4.062 29.311 ( -2.133 2.785 0.000) 3.508 29.524 ( 0.586 0.543 0.000) 0.799 29.699 ( -1.403 1.289 0.000) 1.905 30.273 ( -1.630 8.865 0.000) 9.013 30.349 ( -3.127 -0.509 0.000) 3.168 30.431 ( 0.959 -1.613 0.000) 1.876 30.474 ( -3.444 -5.810 0.000) 6.754 30.582 ( -0.254 -0.723 0.000) 0.766 30.660 ( -4.855 -1.775 0.000) 5.169 30.795 ( 1.811 1.117 0.000) 2.128 30.798 ( 1.972 -1.080 0.000) 2.248 ======================= Grid point 31 (20/48) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( -8.085 15.737 0.000) 17.693 3.264 ( 8.085 15.737 0.000) 17.693 3.752 ( -1.293 5.056 0.000) 5.219 3.752 ( 1.293 5.056 0.000) 5.219 3.772 ( -6.570 0.981 0.000) 6.643 3.772 ( 6.570 0.981 0.000) 6.643 3.941 ( -7.410 2.733 0.000) 7.898 3.941 ( 7.410 2.733 0.000) 7.898 4.074 ( -7.257 8.350 0.000) 11.063 4.074 ( 7.257 8.350 0.000) 11.063 4.222 ( -3.794 1.703 0.000) 4.159 4.222 ( 3.794 1.703 0.000) 4.159 4.398 ( -8.119 3.966 0.000) 9.036 4.398 ( 8.119 3.966 0.000) 9.036 4.585 ( -3.247 -2.179 0.000) 3.910 4.585 ( 3.247 -2.179 0.000) 3.910 4.643 ( -6.689 1.240 0.000) 6.803 4.643 ( 6.689 1.240 0.000) 6.803 4.788 ( -2.638 15.098 0.000) 15.327 4.788 ( 2.638 15.098 0.000) 15.327 4.837 ( -6.480 -0.846 0.000) 6.535 4.837 ( 6.480 -0.846 0.000) 6.535 5.047 ( -6.153 -1.905 0.000) 6.442 5.047 ( 6.153 -1.905 0.000) 6.442 5.249 ( -0.709 -1.979 0.000) 2.103 5.249 ( 0.709 -1.979 0.000) 2.103 5.366 ( -8.558 -7.263 0.000) 11.225 5.366 ( 8.558 -7.263 0.000) 11.225 5.563 ( -3.408 -0.676 0.000) 3.475 5.563 ( 3.408 -0.676 0.000) 3.475 5.611 ( -1.573 4.197 0.000) 4.482 5.611 ( 1.573 4.197 0.000) 4.482 5.756 ( -4.973 -2.636 0.000) 5.628 5.756 ( 4.973 -2.636 0.000) 5.628 5.886 ( -0.452 0.872 0.000) 0.982 5.886 ( 0.452 0.872 0.000) 0.982 5.921 ( -2.749 -1.127 0.000) 2.971 5.921 ( 2.749 -1.127 0.000) 2.971 6.092 ( -1.776 -1.991 0.000) 2.668 6.092 ( 1.776 -1.991 0.000) 2.668 6.234 ( -1.250 1.897 0.000) 2.272 6.234 ( 1.250 1.897 0.000) 2.272 6.306 ( -0.521 -6.349 0.000) 6.370 6.306 ( 0.521 -6.349 0.000) 6.370 6.626 ( -1.615 11.219 0.000) 11.335 6.626 ( 1.616 11.219 0.000) 11.335 6.804 ( -8.627 7.285 0.000) 11.292 6.804 ( 8.627 7.285 0.000) 11.292 6.905 ( -15.122 4.679 0.000) 15.830 6.905 ( 15.122 4.679 0.000) 15.830 7.161 ( -4.871 -1.051 0.000) 4.983 7.161 ( 4.871 -1.051 0.000) 4.983 7.293 ( -0.430 -3.135 0.000) 3.164 7.293 ( 0.430 -3.135 0.000) 3.164 7.395 ( -8.158 2.865 0.000) 8.647 7.395 ( 8.158 2.865 0.000) 8.647 7.549 ( -14.269 -1.157 0.000) 14.316 7.549 ( 14.269 -1.157 0.000) 14.316 7.703 ( -8.552 -3.867 0.000) 9.386 7.703 ( 8.552 -3.867 0.000) 9.386 7.848 ( -7.180 4.149 0.000) 8.293 7.848 ( 7.180 4.149 0.000) 8.293 8.047 ( -2.532 3.537 0.000) 4.350 8.047 ( 2.532 3.537 0.000) 4.350 8.209 ( -2.284 -10.124 0.000) 10.378 8.209 ( 2.284 -10.124 0.000) 10.378 8.371 ( -5.165 -3.351 0.000) 6.156 8.371 ( 5.165 -3.351 0.000) 6.156 8.585 ( -5.754 24.687 0.000) 25.349 8.585 ( 5.754 24.687 0.000) 25.349 8.689 ( -1.504 -1.239 0.000) 1.949 8.689 ( 1.504 -1.239 0.000) 1.949 8.784 ( -1.178 24.011 0.000) 24.040 8.784 ( 1.178 24.011 0.000) 24.040 8.899 ( -0.085 8.215 0.000) 8.216 8.899 ( 0.085 8.215 0.000) 8.216 9.084 ( -0.381 3.709 0.000) 3.728 9.084 ( 0.381 3.709 0.000) 3.728 9.250 ( -3.119 -2.182 0.000) 3.806 9.250 ( 3.119 -2.182 0.000) 3.806 9.361 ( -2.262 -5.428 0.000) 5.880 9.361 ( 2.262 -5.428 0.000) 5.880 9.601 ( -8.656 3.231 0.000) 9.240 9.601 ( 8.656 3.231 0.000) 9.240 9.720 ( -13.774 -7.940 0.000) 15.899 9.720 ( 13.774 -7.940 0.000) 15.899 9.986 ( -7.799 -0.435 0.000) 7.811 9.986 ( 7.799 -0.435 0.000) 7.811 10.113 ( -9.238 1.199 0.000) 9.315 10.113 ( 9.238 1.199 0.000) 9.315 10.279 ( -0.199 -11.728 0.000) 11.729 10.279 ( 0.199 -11.728 0.000) 11.729 10.388 ( -2.764 -7.895 0.000) 8.364 10.388 ( 2.764 -7.895 0.000) 8.364 10.644 ( -1.092 -3.744 0.000) 3.900 10.644 ( 1.092 -3.744 0.000) 3.900 10.708 ( -5.693 -3.570 0.000) 6.720 10.708 ( 5.693 -3.570 0.000) 6.720 10.861 ( -2.113 -3.724 0.000) 4.282 10.861 ( 2.113 -3.724 0.000) 4.282 11.988 ( -1.524 9.108 0.000) 9.234 11.988 ( 1.524 9.108 0.000) 9.234 12.184 ( -3.941 10.480 0.000) 11.196 12.184 ( 3.941 10.480 0.000) 11.196 12.437 ( -0.956 -7.829 0.000) 7.887 12.437 ( 0.956 -7.829 0.000) 7.887 12.686 ( -1.400 -4.211 0.000) 4.438 12.686 ( 1.400 -4.211 0.000) 4.438 13.088 ( -2.160 2.788 0.000) 3.527 13.088 ( 2.160 2.788 0.000) 3.527 13.308 ( -4.676 11.356 0.000) 12.281 13.308 ( 4.676 11.356 0.000) 12.281 13.693 ( -0.709 -7.445 0.000) 7.479 13.693 ( 0.709 -7.445 0.000) 7.479 13.890 ( -4.865 -6.913 0.000) 8.453 13.890 ( 4.865 -6.913 0.000) 8.453 14.045 ( -1.313 -16.093 0.000) 16.146 14.045 ( 1.313 -16.093 0.000) 16.146 14.205 ( -2.924 -12.115 0.000) 12.463 14.205 ( 2.924 -12.115 0.000) 12.463 14.420 ( -2.921 -0.118 0.000) 2.923 14.420 ( 2.921 -0.118 0.000) 2.923 14.684 ( -4.774 -9.817 0.000) 10.916 14.684 ( 4.774 -9.817 0.000) 10.916 15.358 ( -0.975 12.588 0.000) 12.626 15.358 ( 0.975 12.588 0.000) 12.626 15.620 ( -1.355 13.643 0.000) 13.710 15.620 ( 1.355 13.643 0.000) 13.710 15.931 ( -1.831 0.774 0.000) 1.988 15.931 ( 1.831 0.774 0.000) 1.988 16.082 ( -2.432 0.051 0.000) 2.433 16.082 ( 2.432 0.051 0.000) 2.433 17.124 ( -7.627 -4.320 0.000) 8.766 17.124 ( 7.627 -4.320 0.000) 8.766 17.473 ( -6.358 0.176 0.000) 6.360 17.473 ( 6.358 0.176 0.000) 6.360 17.882 ( -4.391 -3.182 0.000) 5.423 17.882 ( 4.391 -3.182 0.000) 5.423 18.104 ( -3.708 -4.185 0.000) 5.592 18.104 ( 3.708 -4.185 0.000) 5.592 19.592 ( -6.141 17.018 0.000) 18.092 19.592 ( 6.141 17.018 0.000) 18.092 19.684 ( -9.753 18.861 0.000) 21.233 19.684 ( 9.753 18.861 0.000) 21.233 20.276 ( -13.640 -3.048 0.000) 13.977 20.276 ( 13.640 -3.048 0.000) 13.977 20.598 ( -14.735 -9.345 0.000) 17.448 20.598 ( 14.735 -9.345 0.000) 17.448 20.773 ( -9.186 -15.757 0.000) 18.239 20.773 ( 9.186 -15.757 0.000) 18.239 21.177 ( -0.573 -11.537 0.000) 11.551 21.177 ( 0.573 -11.537 0.000) 11.551 21.980 ( -6.497 5.813 0.000) 8.718 21.980 ( 6.497 5.813 0.000) 8.718 22.160 ( -6.059 -3.556 0.000) 7.026 22.160 ( 6.059 -3.556 0.000) 7.026 26.999 ( -3.091 6.650 0.000) 7.333 26.999 ( 3.091 6.650 0.000) 7.333 27.074 ( -3.578 4.459 0.000) 5.717 27.074 ( 3.578 4.459 0.000) 5.717 27.470 ( -1.306 -7.618 0.000) 7.729 27.470 ( 1.306 -7.618 0.000) 7.729 27.715 ( -1.134 -3.687 0.000) 3.857 27.715 ( 1.134 -3.687 0.000) 3.857 28.830 ( -6.517 2.271 0.000) 6.901 28.830 ( 6.517 2.271 0.000) 6.901 28.970 ( -7.474 4.579 0.000) 8.766 28.970 ( 7.474 4.579 0.000) 8.766 29.261 ( -2.544 -0.148 0.000) 2.548 29.261 ( 2.544 -0.148 0.000) 2.548 29.617 ( -6.718 -5.893 0.000) 8.936 29.617 ( 6.718 -5.893 0.000) 8.936 30.285 ( -2.781 3.403 0.000) 4.394 30.285 ( 2.781 3.403 0.000) 4.394 30.434 ( -0.270 -1.282 0.000) 1.310 30.434 ( 0.270 -1.282 0.000) 1.310 30.601 ( -1.983 -0.295 0.000) 2.004 30.601 ( 1.983 -0.295 0.000) 2.004 30.814 ( -0.144 0.322 0.000) 0.353 30.814 ( 0.144 0.322 0.000) 0.353 ======================= Grid point 35 (21/48) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 0.000 -0.508 0.000) 0.508 3.154 ( 0.000 0.508 0.000) 0.508 3.546 ( 0.000 -10.054 0.000) 10.054 3.546 ( 0.000 10.054 0.000) 10.054 3.673 ( 0.000 -10.304 0.000) 10.304 3.673 ( 0.000 10.304 0.000) 10.304 3.824 ( 0.000 -17.320 0.000) 17.320 3.824 ( 0.000 17.320 0.000) 17.320 4.165 ( 0.000 -20.205 0.000) 20.205 4.165 ( 0.000 20.205 0.000) 20.205 4.172 ( 0.000 -5.051 0.000) 5.051 4.172 ( 0.000 5.051 0.000) 5.051 4.513 ( 0.000 -14.033 0.000) 14.033 4.513 ( 0.000 -13.806 0.000) 13.806 4.513 ( 0.000 13.805 0.000) 13.805 4.513 ( 0.000 14.032 0.000) 14.032 4.754 ( 0.000 -6.252 0.000) 6.252 4.754 ( 0.000 6.252 0.000) 6.252 4.819 ( 0.000 -8.197 0.000) 8.197 4.819 ( 0.000 8.197 0.000) 8.197 4.968 ( 0.000 -0.761 0.000) 0.761 4.968 ( 0.000 0.761 0.000) 0.761 5.024 ( 0.000 -3.984 0.000) 3.984 5.024 ( 0.000 3.984 0.000) 3.984 5.195 ( 0.000 -1.849 0.000) 1.849 5.195 ( 0.000 1.849 0.000) 1.849 5.353 ( 0.000 -7.197 0.000) 7.197 5.353 ( 0.000 7.197 0.000) 7.197 5.388 ( 0.000 -12.531 0.000) 12.531 5.388 ( 0.000 12.531 0.000) 12.531 5.674 ( 0.000 -0.741 0.000) 0.741 5.674 ( 0.000 0.741 0.000) 0.741 5.722 ( 0.000 -1.011 0.000) 1.011 5.722 ( 0.000 1.011 0.000) 1.011 5.860 ( 0.000 -1.874 0.000) 1.874 5.860 ( 0.000 1.874 0.000) 1.874 5.939 ( 0.000 -2.665 0.000) 2.665 5.939 ( 0.000 2.665 0.000) 2.665 6.042 ( 0.000 -4.873 0.000) 4.873 6.042 ( 0.000 4.873 0.000) 4.873 6.288 ( 0.000 -8.713 0.000) 8.713 6.288 ( 0.000 8.713 0.000) 8.713 6.390 ( 0.000 -11.099 0.000) 11.099 6.390 ( 0.000 11.099 0.000) 11.099 6.576 ( 0.000 -4.247 0.000) 4.247 6.576 ( 0.000 4.247 0.000) 4.247 6.627 ( 0.000 -12.272 0.000) 12.272 6.627 ( 0.000 12.272 0.000) 12.272 6.743 ( 0.000 -17.129 0.000) 17.129 6.743 ( 0.000 17.129 0.000) 17.129 6.838 ( 0.000 -7.241 0.000) 7.241 6.838 ( 0.000 7.241 0.000) 7.241 7.350 ( 0.000 -2.712 0.000) 2.712 7.350 ( 0.000 2.712 0.000) 2.712 7.358 ( 0.000 -0.769 0.000) 0.769 7.358 ( 0.000 0.769 0.000) 0.769 7.562 ( 0.000 -3.186 0.000) 3.186 7.562 ( 0.000 3.186 0.000) 3.186 7.590 ( 0.000 -1.370 0.000) 1.370 7.590 ( 0.000 1.370 0.000) 1.370 8.093 ( 0.000 -8.413 0.000) 8.413 8.093 ( 0.000 8.413 0.000) 8.413 8.211 ( 0.000 -12.297 0.000) 12.297 8.211 ( 0.000 12.297 0.000) 12.297 8.296 ( 0.000 -1.195 0.000) 1.195 8.296 ( 0.000 1.195 0.000) 1.195 8.473 ( 0.000 -0.048 0.000) 0.048 8.473 ( 0.000 0.048 0.000) 0.048 8.621 ( 0.000 -6.680 0.000) 6.680 8.621 ( 0.000 6.680 0.000) 6.680 8.667 ( 0.000 -14.889 0.000) 14.889 8.667 ( 0.000 14.889 0.000) 14.889 8.889 ( 0.000 -12.829 0.000) 12.829 8.889 ( 0.000 12.829 0.000) 12.829 9.020 ( 0.000 -2.048 0.000) 2.048 9.020 ( 0.000 2.048 0.000) 2.048 9.229 ( 0.000 -10.575 0.000) 10.575 9.229 ( 0.000 10.575 0.000) 10.575 9.327 ( 0.000 -27.395 0.000) 27.395 9.327 ( 0.000 27.395 0.000) 27.395 9.343 ( 0.000 -16.015 0.000) 16.015 9.343 ( 0.000 16.015 0.000) 16.015 9.561 ( 0.000 -14.516 0.000) 14.516 9.561 ( 0.000 14.516 0.000) 14.516 9.562 ( 0.000 -20.680 0.000) 20.680 9.562 ( 0.000 20.680 0.000) 20.680 10.034 ( 0.000 -14.431 0.000) 14.431 10.034 ( 0.000 14.431 0.000) 14.431 10.114 ( 0.000 -11.064 0.000) 11.064 10.114 ( 0.000 11.064 0.000) 11.064 10.217 ( 0.000 -5.111 0.000) 5.111 10.217 ( 0.000 5.111 0.000) 5.111 10.265 ( 0.000 -1.026 0.000) 1.026 10.265 ( 0.000 1.026 0.000) 1.026 10.493 ( 0.000 -0.048 0.000) 0.048 10.493 ( 0.000 0.048 0.000) 0.048 10.953 ( 0.000 -1.357 0.000) 1.357 10.953 ( 0.000 1.357 0.000) 1.357 11.128 ( 0.000 -5.035 0.000) 5.035 11.128 ( 0.000 5.035 0.000) 5.035 12.139 ( 0.000 -7.763 0.000) 7.763 12.139 ( 0.000 7.763 0.000) 7.763 12.286 ( 0.000 -10.292 0.000) 10.292 12.286 ( 0.000 10.292 0.000) 10.292 12.520 ( 0.000 -3.039 0.000) 3.039 12.520 ( 0.000 3.039 0.000) 3.039 12.523 ( 0.000 -4.124 0.000) 4.124 12.523 ( 0.000 4.124 0.000) 4.124 13.053 ( 0.000 -18.107 0.000) 18.107 13.053 ( 0.000 18.107 0.000) 18.107 13.070 ( 0.000 -19.865 0.000) 19.865 13.070 ( 0.000 19.865 0.000) 19.865 13.850 ( 0.000 -0.086 0.000) 0.086 13.850 ( 0.000 0.086 0.000) 0.086 13.959 ( 0.000 -2.483 0.000) 2.483 13.959 ( 0.000 2.483 0.000) 2.483 13.981 ( 0.000 -1.035 0.000) 1.035 13.981 ( 0.000 1.035 0.000) 1.035 14.039 ( 0.000 -2.971 0.000) 2.971 14.039 ( 0.000 2.971 0.000) 2.971 14.552 ( 0.000 -0.999 0.000) 0.999 14.552 ( 0.000 0.999 0.000) 0.999 14.611 ( 0.000 -2.864 0.000) 2.864 14.611 ( 0.000 2.864 0.000) 2.864 15.572 ( 0.000 -1.132 0.000) 1.132 15.572 ( 0.000 1.132 0.000) 1.132 15.732 ( 0.000 -1.691 0.000) 1.691 15.732 ( 0.000 1.691 0.000) 1.691 15.780 ( 0.000 -10.286 0.000) 10.286 15.780 ( 0.000 10.286 0.000) 10.286 15.905 ( 0.000 -12.124 0.000) 12.124 15.905 ( 0.000 12.124 0.000) 12.124 17.369 ( 0.000 -17.671 0.000) 17.671 17.369 ( 0.000 17.671 0.000) 17.671 17.677 ( 0.000 -4.559 0.000) 4.559 17.677 ( 0.000 4.559 0.000) 4.559 17.684 ( 0.000 -18.781 0.000) 18.781 17.684 ( 0.000 18.781 0.000) 18.781 17.770 ( 0.000 -0.012 0.000) 0.012 17.770 ( 0.000 0.012 0.000) 0.012 19.379 ( 0.000 -10.450 0.000) 10.450 19.379 ( 0.000 10.450 0.000) 10.450 19.701 ( 0.000 -17.089 0.000) 17.089 19.701 ( 0.000 17.089 0.000) 17.089 19.921 ( 0.000 -22.561 0.000) 22.561 19.921 ( 0.000 22.561 0.000) 22.561 20.554 ( 0.000 -24.824 0.000) 24.824 20.554 ( 0.000 24.824 0.000) 24.824 21.326 ( 0.000 -10.844 0.000) 10.844 21.326 ( 0.000 10.844 0.000) 10.844 21.499 ( 0.000 -9.585 0.000) 9.585 21.499 ( 0.000 9.585 0.000) 9.585 21.757 ( 0.000 -1.100 0.000) 1.100 21.757 ( 0.000 1.100 0.000) 1.100 22.111 ( 0.000 -3.642 0.000) 3.642 22.111 ( 0.000 3.642 0.000) 3.642 27.059 ( 0.000 -11.398 0.000) 11.398 27.059 ( 0.000 11.398 0.000) 11.398 27.068 ( 0.000 -11.231 0.000) 11.231 27.068 ( 0.000 11.231 0.000) 11.231 27.622 ( 0.000 -16.735 0.000) 16.735 27.622 ( 0.000 16.735 0.000) 16.735 27.692 ( 0.000 -16.469 0.000) 16.469 27.692 ( 0.000 16.469 0.000) 16.469 28.517 ( 0.000 -2.450 0.000) 2.450 28.517 ( 0.000 2.450 0.000) 2.450 28.640 ( 0.000 -1.211 0.000) 1.211 28.640 ( 0.000 1.211 0.000) 1.211 29.410 ( 0.000 -0.358 0.000) 0.358 29.410 ( 0.000 0.358 0.000) 0.358 29.732 ( 0.000 -3.536 0.000) 3.536 29.732 ( 0.000 3.536 0.000) 3.536 30.435 ( 0.000 -1.306 0.000) 1.306 30.435 ( 0.000 1.306 0.000) 1.306 30.437 ( 0.000 -7.772 0.000) 7.772 30.437 ( 0.000 7.772 0.000) 7.772 30.626 ( 0.000 -2.884 0.000) 2.884 30.626 ( 0.000 2.884 0.000) 2.884 30.749 ( 0.000 -0.669 0.000) 0.669 30.749 ( 0.000 0.669 0.000) 0.669 ======================= Grid point 37 (22/48) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 6.609 -1.588 0.000) 6.797 3.226 ( 6.609 1.588 0.000) 6.797 3.599 ( 4.072 -8.320 0.000) 9.263 3.599 ( 4.072 8.320 0.000) 9.263 3.685 ( 4.794 -1.824 0.000) 5.129 3.685 ( 4.794 1.824 0.000) 5.129 3.846 ( -0.335 -9.212 0.000) 9.218 3.846 ( -0.335 9.212 0.000) 9.218 4.157 ( 0.279 -0.272 0.000) 0.389 4.157 ( 0.279 0.272 0.000) 0.389 4.216 ( 4.371 -14.439 0.000) 15.087 4.216 ( 4.371 14.440 0.000) 15.087 4.431 ( -3.783 -11.098 0.000) 11.725 4.431 ( -3.783 11.098 0.000) 11.725 4.583 ( 0.941 -7.841 0.000) 7.897 4.583 ( 0.941 7.841 0.000) 7.897 4.739 ( 0.726 -4.024 0.000) 4.089 4.739 ( 0.726 4.024 0.000) 4.089 4.888 ( 0.208 -3.582 0.000) 3.588 4.888 ( 0.208 3.582 0.000) 3.588 4.898 ( -0.623 -5.402 0.000) 5.438 4.898 ( -0.623 5.402 0.000) 5.438 5.071 ( 2.481 -4.409 0.000) 5.059 5.071 ( 2.481 4.409 0.000) 5.059 5.177 ( -4.229 -0.747 0.000) 4.295 5.177 ( -4.229 0.747 0.000) 4.295 5.332 ( 2.430 -4.495 0.000) 5.110 5.332 ( 2.430 4.495 0.000) 5.110 5.452 ( 4.618 -11.135 0.000) 12.055 5.452 ( 4.618 11.135 0.000) 12.055 5.617 ( -6.738 -0.032 0.000) 6.739 5.617 ( -6.738 0.032 0.000) 6.739 5.671 ( 1.203 -1.535 0.000) 1.951 5.671 ( 1.203 1.535 0.000) 1.951 5.932 ( 3.404 -2.202 0.000) 4.054 5.932 ( 3.404 2.202 0.000) 4.054 6.014 ( 3.585 -1.237 0.000) 3.793 6.014 ( 3.585 1.237 0.000) 3.793 6.105 ( 6.294 -0.332 0.000) 6.303 6.105 ( 6.294 0.332 0.000) 6.303 6.238 ( -4.434 -2.841 0.000) 5.266 6.238 ( -4.434 2.841 0.000) 5.266 6.315 ( -7.928 -1.969 0.000) 8.169 6.315 ( -7.928 1.969 0.000) 8.169 6.593 ( 9.051 -16.799 0.000) 19.082 6.593 ( 9.051 16.799 0.000) 19.082 6.652 ( -0.340 -3.083 0.000) 3.101 6.652 ( -0.340 3.083 0.000) 3.101 6.767 ( 1.392 -6.848 0.000) 6.988 6.767 ( 1.392 6.848 0.000) 6.988 6.902 ( 5.128 -0.413 0.000) 5.145 6.902 ( 5.128 0.413 0.000) 5.145 7.257 ( -5.161 -1.690 0.000) 5.430 7.257 ( -5.161 1.690 0.000) 5.430 7.333 ( -1.675 -1.280 0.000) 2.108 7.333 ( -1.675 1.280 0.000) 2.108 7.599 ( 5.489 -1.758 0.000) 5.764 7.599 ( 5.489 1.758 0.000) 5.764 7.711 ( 5.012 -0.498 0.000) 5.037 7.711 ( 5.012 0.498 0.000) 5.037 8.083 ( -2.384 -3.912 0.000) 4.581 8.083 ( -2.384 3.912 0.000) 4.581 8.118 ( -3.397 -6.033 0.000) 6.923 8.118 ( -3.397 6.033 0.000) 6.923 8.343 ( -4.979 -0.041 0.000) 4.979 8.343 ( -4.979 0.041 0.000) 4.979 8.401 ( -3.371 -1.303 0.000) 3.614 8.401 ( -3.371 1.303 0.000) 3.614 8.566 ( 0.368 -0.774 0.000) 0.858 8.566 ( 0.368 0.774 0.000) 0.858 8.737 ( 3.399 -8.832 0.000) 9.464 8.737 ( 3.399 8.832 0.000) 9.464 8.948 ( 0.218 -3.914 0.000) 3.920 8.948 ( 0.218 3.914 0.000) 3.920 8.992 ( 4.628 -1.520 0.000) 4.871 8.992 ( 4.628 1.520 0.000) 4.871 9.285 ( -2.144 -7.688 0.000) 7.981 9.285 ( -2.144 7.688 0.000) 7.981 9.332 ( -1.712 -2.058 0.000) 2.678 9.332 ( -1.712 2.058 0.000) 2.678 9.392 ( 10.328 -2.937 0.000) 10.737 9.392 ( 10.328 2.937 0.000) 10.737 9.445 ( -7.327 -2.652 0.000) 7.792 9.445 ( -7.327 2.652 0.000) 7.792 9.609 ( 2.439 -9.196 0.000) 9.514 9.609 ( 2.439 9.196 0.000) 9.514 9.932 ( -7.882 -17.896 0.000) 19.555 9.932 ( -7.882 17.896 0.000) 19.555 10.127 ( 1.106 -9.439 0.000) 9.504 10.127 ( 1.106 9.439 0.000) 9.504 10.212 ( -0.070 -0.802 0.000) 0.805 10.212 ( -0.070 0.802 0.000) 0.805 10.298 ( 0.960 -1.458 0.000) 1.746 10.298 ( 0.960 1.458 0.000) 1.746 10.495 ( 0.637 -1.529 0.000) 1.657 10.495 ( 0.637 1.529 0.000) 1.657 10.906 ( -4.755 -0.158 0.000) 4.758 10.906 ( -4.755 0.158 0.000) 4.758 11.051 ( -7.270 -2.502 0.000) 7.689 11.051 ( -7.270 2.502 0.000) 7.689 12.114 ( -1.783 -6.758 0.000) 6.990 12.114 ( -1.783 6.758 0.000) 6.990 12.294 ( 0.110 -9.056 0.000) 9.057 12.294 ( 0.110 9.056 0.000) 9.057 12.473 ( -2.768 -0.727 0.000) 2.862 12.473 ( -2.768 0.727 0.000) 2.862 12.581 ( 3.320 -1.542 0.000) 3.660 12.581 ( 3.320 1.542 0.000) 3.660 13.047 ( 0.710 -0.400 0.000) 0.815 13.047 ( 0.710 0.400 0.000) 0.815 13.126 ( 5.242 -0.844 0.000) 5.309 13.126 ( 5.242 0.844 0.000) 5.309 13.832 ( -2.165 -0.200 0.000) 2.174 13.832 ( -2.165 0.200 0.000) 2.174 13.877 ( -3.236 -0.489 0.000) 3.273 13.877 ( -3.236 0.489 0.000) 3.273 14.084 ( 4.741 -0.068 0.000) 4.741 14.084 ( 4.741 0.068 0.000) 4.741 14.112 ( 3.522 -1.148 0.000) 3.705 14.112 ( 3.522 1.148 0.000) 3.705 14.427 ( -7.447 -5.519 0.000) 9.269 14.427 ( -7.447 5.519 0.000) 9.269 14.519 ( -8.248 -0.830 0.000) 8.289 14.519 ( -8.248 0.830 0.000) 8.289 15.573 ( -0.806 -0.085 0.000) 0.810 15.573 ( -0.806 0.085 0.000) 0.810 15.746 ( 2.109 -1.752 0.000) 2.742 15.746 ( 2.109 1.752 0.000) 2.742 15.819 ( 2.662 -5.280 0.000) 5.913 15.819 ( 2.662 5.280 0.000) 5.913 15.951 ( 4.080 -7.540 0.000) 8.573 15.951 ( 4.080 7.540 0.000) 8.573 17.278 ( -7.445 -13.291 0.000) 15.234 17.278 ( -7.445 13.291 0.000) 15.234 17.597 ( -4.582 -7.373 0.000) 8.681 17.597 ( -4.582 7.373 0.000) 8.681 17.745 ( 4.005 -7.282 0.000) 8.310 17.745 ( 4.005 7.282 0.000) 8.310 17.873 ( 7.478 -4.559 0.000) 8.758 17.873 ( 7.478 4.559 0.000) 8.758 19.476 ( 9.552 -13.719 0.000) 16.717 19.476 ( 9.552 13.719 0.000) 16.717 19.784 ( 6.673 -12.944 0.000) 14.563 19.784 ( 6.673 12.944 0.000) 14.563 19.947 ( 4.304 -14.981 0.000) 15.587 19.947 ( 4.304 14.981 0.000) 15.587 20.521 ( -4.112 -24.704 0.000) 25.044 20.521 ( -4.112 24.704 0.000) 25.044 21.122 ( -14.889 -3.757 0.000) 15.356 21.122 ( -14.889 3.757 0.000) 15.356 21.470 ( -11.847 -0.220 0.000) 11.849 21.470 ( -11.847 0.220 0.000) 11.849 21.745 ( 6.228 -0.764 0.000) 6.275 21.745 ( 6.228 0.764 0.000) 6.275 22.183 ( 3.838 -0.023 0.000) 3.838 22.183 ( 3.838 0.023 0.000) 3.838 27.067 ( 0.304 -5.345 0.000) 5.353 27.067 ( 0.304 5.345 0.000) 5.353 27.076 ( 1.258 -5.456 0.000) 5.599 27.076 ( 1.258 5.456 0.000) 5.599 27.518 ( -6.652 -4.626 0.000) 8.103 27.518 ( -6.652 4.626 0.000) 8.103 27.727 ( 0.197 -4.071 0.000) 4.076 27.727 ( 0.197 4.071 0.000) 4.076 28.591 ( 7.313 -3.740 0.000) 8.213 28.591 ( 7.313 3.740 0.000) 8.213 28.721 ( 7.804 -3.255 0.000) 8.456 28.721 ( 7.804 3.255 0.000) 8.456 29.385 ( -2.666 -0.485 0.000) 2.709 29.385 ( -2.666 0.485 0.000) 2.709 29.706 ( -3.009 -5.264 0.000) 6.063 29.706 ( -3.009 5.264 0.000) 6.063 30.394 ( -2.317 -0.621 0.000) 2.399 30.394 ( -2.317 0.621 0.000) 2.399 30.428 ( -1.630 -1.899 0.000) 2.503 30.428 ( -1.630 1.899 0.000) 2.503 30.638 ( 0.384 -2.824 0.000) 2.850 30.638 ( 0.384 2.824 0.000) 2.850 30.765 ( 1.616 -0.068 0.000) 1.618 30.765 ( 1.616 0.068 0.000) 1.618 ======================= Grid point 39 (23/48) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( 6.412 -3.268 0.000) 7.197 3.361 ( 6.412 3.268 0.000) 7.197 3.714 ( 7.992 -2.144 0.000) 8.274 3.714 ( 7.992 2.144 0.000) 8.274 3.806 ( -1.298 -4.709 0.000) 4.884 3.806 ( -1.298 4.709 0.000) 4.884 3.830 ( 6.245 -4.137 0.000) 7.491 3.830 ( 6.245 4.137 0.000) 7.491 4.211 ( 4.319 -0.084 0.000) 4.320 4.211 ( 4.319 0.084 0.000) 4.320 4.239 ( -4.461 -6.520 0.000) 7.900 4.239 ( -4.461 6.520 0.000) 7.900 4.409 ( 3.649 -11.209 0.000) 11.788 4.409 ( 3.649 11.209 0.000) 11.788 4.565 ( -0.547 -0.199 0.000) 0.582 4.565 ( -0.547 0.199 0.000) 0.582 4.715 ( -6.611 -0.288 0.000) 6.617 4.715 ( -6.611 0.288 0.000) 6.617 4.857 ( 3.707 -1.068 0.000) 3.858 4.857 ( 3.707 1.068 0.000) 3.858 4.922 ( -4.427 -6.219 0.000) 7.634 4.922 ( -4.427 6.219 0.000) 7.634 5.039 ( -1.559 -0.012 0.000) 1.559 5.039 ( -1.559 0.012 0.000) 1.559 5.174 ( 3.727 -0.046 0.000) 3.727 5.174 ( 3.727 0.046 0.000) 3.727 5.350 ( -3.395 -6.650 0.000) 7.467 5.350 ( -3.395 6.650 0.000) 7.467 5.541 ( 2.076 -4.404 0.000) 4.869 5.541 ( 2.076 4.404 0.000) 4.869 5.568 ( 5.104 -1.314 0.000) 5.270 5.568 ( 5.104 1.314 0.000) 5.270 5.738 ( 3.888 -2.256 0.000) 4.495 5.738 ( 3.888 2.256 0.000) 4.495 5.907 ( -4.010 -5.904 0.000) 7.137 5.907 ( -4.010 5.904 0.000) 7.137 6.001 ( -6.371 -0.002 0.000) 6.371 6.001 ( -6.371 0.002 0.000) 6.371 6.106 ( -1.858 -0.544 0.000) 1.936 6.106 ( -1.858 0.544 0.000) 1.936 6.207 ( -1.661 -4.945 0.000) 5.216 6.207 ( -1.661 4.945 0.000) 5.216 6.280 ( 1.335 -0.496 0.000) 1.424 6.280 ( 1.335 0.496 0.000) 1.424 6.668 ( 6.670 -0.175 0.000) 6.673 6.668 ( 6.670 0.175 0.000) 6.673 6.785 ( 3.122 -1.186 0.000) 3.340 6.785 ( 3.122 1.186 0.000) 3.340 6.852 ( 11.831 -21.436 0.000) 24.484 6.852 ( 11.831 21.436 0.000) 24.484 7.034 ( 8.284 -2.204 0.000) 8.572 7.034 ( 8.284 2.204 0.000) 8.572 7.226 ( 1.035 -0.702 0.000) 1.250 7.226 ( 1.035 0.702 0.000) 1.250 7.326 ( 3.215 -1.474 0.000) 3.536 7.326 ( 3.215 1.474 0.000) 3.536 7.622 ( -7.636 -6.565 0.000) 10.070 7.622 ( -7.636 6.565 0.000) 10.070 7.760 ( -0.082 -3.564 0.000) 3.565 7.760 ( -0.082 3.564 0.000) 3.565 8.002 ( -1.524 -2.711 0.000) 3.110 8.002 ( -1.524 2.711 0.000) 3.110 8.027 ( -9.684 -4.299 0.000) 10.595 8.027 ( -9.684 4.299 0.000) 10.595 8.218 ( -5.782 -0.182 0.000) 5.785 8.218 ( -5.782 0.182 0.000) 5.785 8.346 ( -0.514 -3.084 0.000) 3.126 8.346 ( -0.514 3.084 0.000) 3.126 8.624 ( 3.521 -0.025 0.000) 3.521 8.624 ( 3.521 0.025 0.000) 3.521 8.790 ( 2.023 -0.308 0.000) 2.046 8.790 ( 2.023 0.308 0.000) 2.046 8.936 ( 0.020 -4.750 0.000) 4.750 8.936 ( 0.020 4.750 0.000) 4.750 9.103 ( 2.404 -4.168 0.000) 4.811 9.103 ( 2.404 4.168 0.000) 4.811 9.211 ( -3.117 -4.666 0.000) 5.611 9.211 ( -3.117 4.666 0.000) 5.611 9.264 ( -3.895 -8.945 0.000) 9.756 9.264 ( -3.895 8.945 0.000) 9.756 9.386 ( 1.997 -8.018 0.000) 8.263 9.386 ( 1.997 8.018 0.000) 8.263 9.558 ( 2.017 -14.320 0.000) 14.461 9.558 ( 2.017 14.320 0.000) 14.461 9.661 ( 4.778 -10.124 0.000) 11.194 9.661 ( 4.778 10.124 0.000) 11.194 9.842 ( 0.139 -1.298 0.000) 1.305 9.842 ( 0.139 1.298 0.000) 1.305 10.136 ( -1.165 -0.492 0.000) 1.265 10.136 ( -1.165 0.492 0.000) 1.265 10.210 ( -1.277 -0.303 0.000) 1.312 10.210 ( -1.277 0.303 0.000) 1.312 10.266 ( -1.825 -0.909 0.000) 2.039 10.266 ( -1.825 0.909 0.000) 2.039 10.547 ( 4.514 -1.590 0.000) 4.786 10.547 ( 4.514 1.590 0.000) 4.786 10.776 ( -8.255 -3.515 0.000) 8.972 10.776 ( -8.255 3.515 0.000) 8.972 10.904 ( -6.691 -0.421 0.000) 6.705 10.904 ( -6.691 0.421 0.000) 6.705 12.091 ( -0.591 -4.515 0.000) 4.554 12.091 ( -0.591 4.515 0.000) 4.554 12.286 ( -0.297 -6.545 0.000) 6.552 12.286 ( -0.297 6.545 0.000) 6.552 12.403 ( -4.490 -1.402 0.000) 4.704 12.403 ( -4.490 1.402 0.000) 4.704 12.633 ( 1.778 -0.804 0.000) 1.951 12.633 ( 1.778 0.804 0.000) 1.951 13.098 ( 4.370 -1.787 0.000) 4.721 13.098 ( 4.370 1.787 0.000) 4.721 13.279 ( 10.791 -1.051 0.000) 10.843 13.279 ( 10.791 1.051 0.000) 10.843 13.751 ( -6.638 -0.428 0.000) 6.652 13.751 ( -6.638 0.428 0.000) 6.652 13.793 ( -7.944 -2.793 0.000) 8.421 13.793 ( -7.944 2.793 0.000) 8.421 14.015 ( -8.542 -4.842 0.000) 9.819 14.015 ( -8.542 4.842 0.000) 9.819 14.108 ( -1.397 -2.539 0.000) 2.898 14.108 ( -1.397 2.539 0.000) 2.898 14.420 ( -0.408 -0.408 0.000) 0.577 14.420 ( -0.408 0.408 0.000) 0.577 14.478 ( 8.573 -3.204 0.000) 9.152 14.478 ( 8.573 3.204 0.000) 9.152 15.535 ( -2.622 -0.041 0.000) 2.623 15.535 ( -2.622 0.041 0.000) 2.623 15.799 ( 2.710 -3.385 0.000) 4.337 15.799 ( 2.710 3.385 0.000) 4.337 15.857 ( 1.106 -3.265 0.000) 3.447 15.857 ( 1.106 3.265 0.000) 3.447 16.025 ( 2.958 -2.457 0.000) 3.845 16.025 ( 2.958 2.457 0.000) 3.845 17.147 ( -5.320 -6.660 0.000) 8.524 17.147 ( -5.320 6.660 0.000) 8.524 17.517 ( -3.402 -3.883 0.000) 5.162 17.517 ( -3.402 3.883 0.000) 5.162 17.818 ( 3.139 -3.879 0.000) 4.990 17.818 ( 3.139 3.879 0.000) 4.990 18.002 ( 5.261 -3.410 0.000) 6.270 18.002 ( 5.261 3.410 0.000) 6.270 19.712 ( 13.806 -17.439 0.000) 22.242 19.712 ( 13.806 17.439 0.000) 22.242 19.859 ( 2.168 -0.003 0.000) 2.168 19.859 ( 2.168 0.003 0.000) 2.168 20.155 ( 15.379 -0.415 0.000) 15.384 20.155 ( 15.379 0.415 0.000) 15.384 20.367 ( -11.840 -22.958 0.000) 25.832 20.367 ( -11.840 22.958 0.000) 25.832 20.838 ( -14.116 -4.072 0.000) 14.692 20.838 ( -14.116 4.072 0.000) 14.692 21.199 ( -12.786 -0.277 0.000) 12.789 21.199 ( -12.786 0.277 0.000) 12.789 21.909 ( 9.267 -1.147 0.000) 9.338 21.909 ( 9.267 1.147 0.000) 9.338 22.196 ( -2.641 -0.991 0.000) 2.821 22.196 ( -2.641 0.991 0.000) 2.821 27.071 ( 0.112 -5.885 0.000) 5.886 27.071 ( 0.112 5.885 0.000) 5.886 27.107 ( 1.595 -6.049 0.000) 6.255 27.107 ( 1.595 6.049 0.000) 6.255 27.415 ( -3.749 -1.920 0.000) 4.212 27.415 ( -3.749 1.920 0.000) 4.212 27.700 ( -2.091 -1.425 0.000) 2.531 27.700 ( -2.091 1.425 0.000) 2.531 28.755 ( 8.457 -4.966 0.000) 9.807 28.755 ( 8.457 4.966 0.000) 9.807 28.904 ( 10.065 -5.998 0.000) 11.717 28.904 ( 10.065 5.998 0.000) 11.717 29.311 ( -4.604 -2.072 0.000) 5.049 29.311 ( -4.604 2.072 0.000) 5.049 29.614 ( -6.125 -7.261 0.000) 9.500 29.614 ( -6.125 7.261 0.000) 9.500 30.357 ( -1.593 -0.024 0.000) 1.593 30.357 ( -1.593 0.024 0.000) 1.593 30.412 ( 0.639 -0.263 0.000) 0.691 30.412 ( 0.639 0.263 0.000) 0.691 30.620 ( -1.995 -1.803 0.000) 2.689 30.620 ( -1.995 1.803 0.000) 2.689 30.802 ( 1.805 -0.082 0.000) 1.807 30.802 ( 1.805 0.082 0.000) 1.807 ======================= Grid point 41 (24/48) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 3.868 ( -0.000 0.000 0.000) 0.000 3.881 ( 0.000 -0.000 0.000) 0.000 3.881 ( 0.000 -0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.461 ( -0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 -0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.225 ( -0.000 -0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.655 ( -0.000 -0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.775 ( 0.000 -0.000 0.000) 0.000 5.775 ( 0.000 -0.000 0.000) 0.000 5.879 ( -0.000 -0.000 0.000) 0.000 5.879 ( -0.000 -0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.767 ( 0.000 -0.000 0.000) 0.000 6.767 ( 0.000 -0.000 0.000) 0.000 6.898 ( -0.000 -0.000 0.000) 0.000 6.898 ( -0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.273 ( -0.000 -0.000 0.000) 0.000 7.273 ( -0.000 0.000 0.000) 0.000 7.313 ( 0.000 -0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 -0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.701 ( -0.000 0.000 0.000) 0.000 7.701 ( -0.000 0.000 0.000) 0.000 7.897 ( 0.000 0.000 0.000) 0.000 7.897 ( -0.000 0.000 0.000) 0.000 8.060 ( 0.000 0.000 0.000) 0.000 8.060 ( 0.000 0.000 0.000) 0.000 8.101 ( -0.000 0.000 0.000) 0.000 8.101 ( -0.000 0.000 0.000) 0.000 8.363 ( -0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 -0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.811 ( 0.000 0.000 0.000) 0.000 8.811 ( 0.000 0.000 0.000) 0.000 8.938 ( 0.000 0.000 0.000) 0.000 8.938 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 -0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.199 ( -0.000 0.000 0.000) 0.000 9.199 ( 0.000 0.000 0.000) 0.000 9.220 ( -0.000 -0.000 0.000) 0.000 9.220 ( 0.000 -0.000 0.000) 0.000 9.448 ( 0.000 0.000 0.000) 0.000 9.448 ( 0.000 -0.000 0.000) 0.000 9.521 ( 0.000 -0.000 0.000) 0.000 9.521 ( -0.000 0.000 0.000) 0.000 9.748 ( 0.000 -0.000 0.000) 0.000 9.748 ( -0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 9.859 ( -0.000 0.000 0.000) 0.000 10.105 ( 0.000 0.000 0.000) 0.000 10.105 ( 0.000 0.000 0.000) 0.000 10.172 ( 0.000 0.000 0.000) 0.000 10.172 ( 0.000 0.000 0.000) 0.000 10.276 ( 0.000 -0.000 0.000) 0.000 10.276 ( 0.000 0.000 0.000) 0.000 10.611 ( -0.000 0.000 0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 10.671 ( 0.000 0.000 0.000) 0.000 10.671 ( 0.000 0.000 0.000) 0.000 10.828 ( 0.000 0.000 0.000) 0.000 10.828 ( 0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.299 ( 0.000 -0.000 0.000) 0.000 12.299 ( 0.000 -0.000 0.000) 0.000 12.335 ( -0.000 0.000 0.000) 0.000 12.335 ( -0.000 0.000 0.000) 0.000 12.649 ( 0.000 0.000 0.000) 0.000 12.649 ( 0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 13.161 ( 0.000 0.000 0.000) 0.000 13.507 ( -0.000 0.000 0.000) 0.000 13.507 ( 0.000 0.000 0.000) 0.000 13.553 ( -0.000 0.000 0.000) 0.000 13.553 ( 0.000 0.000 0.000) 0.000 13.681 ( 0.000 -0.000 0.000) 0.000 13.681 ( 0.000 -0.000 0.000) 0.000 13.935 ( 0.000 0.000 0.000) 0.000 13.935 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 14.432 ( 0.000 0.000 0.000) 0.000 14.432 ( 0.000 0.000 0.000) 0.000 14.581 ( 0.000 0.000 0.000) 0.000 14.581 ( 0.000 0.000 0.000) 0.000 15.503 ( 0.000 0.000 0.000) 0.000 15.503 ( 0.000 0.000 0.000) 0.000 15.830 ( 0.000 -0.000 0.000) 0.000 15.830 ( 0.000 0.000 0.000) 0.000 15.865 ( 0.000 -0.000 0.000) 0.000 15.865 ( 0.000 0.000 0.000) 0.000 16.054 ( 0.000 0.000 0.000) 0.000 16.054 ( 0.000 0.000 0.000) 0.000 17.094 ( 0.000 0.000 0.000) 0.000 17.094 ( 0.000 0.000 0.000) 0.000 17.482 ( 0.000 0.000 0.000) 0.000 17.482 ( 0.000 0.000 0.000) 0.000 17.851 ( 0.000 -0.000 0.000) 0.000 17.851 ( 0.000 0.000 0.000) 0.000 18.055 ( 0.000 0.000 0.000) 0.000 18.055 ( 0.000 0.000 0.000) 0.000 19.845 ( 0.000 -0.000 0.000) 0.000 19.845 ( 0.000 0.000 0.000) 0.000 19.972 ( 0.000 0.000 0.000) 0.000 19.972 ( -0.000 0.000 0.000) 0.000 20.147 ( 0.000 0.000 0.000) 0.000 20.147 ( 0.000 0.000 0.000) 0.000 20.400 ( -0.000 -0.000 0.000) 0.000 20.400 ( -0.000 0.000 0.000) 0.000 20.629 ( 0.000 -0.000 0.000) 0.000 20.629 ( 0.000 0.000 0.000) 0.000 21.065 ( 0.000 0.000 0.000) 0.000 21.065 ( 0.000 0.000 0.000) 0.000 22.051 ( 0.000 0.000 0.000) 0.000 22.051 ( 0.000 0.000 0.000) 0.000 22.117 ( -0.000 0.000 0.000) 0.000 22.117 ( -0.000 0.000 0.000) 0.000 27.072 ( 0.000 0.000 0.000) 0.000 27.072 ( 0.000 0.000 0.000) 0.000 27.125 ( 0.000 0.000 0.000) 0.000 27.125 ( 0.000 0.000 0.000) 0.000 27.379 ( 0.000 0.000 0.000) 0.000 27.379 ( 0.000 0.000 0.000) 0.000 27.676 ( 0.000 0.000 0.000) 0.000 27.676 ( 0.000 0.000 0.000) 0.000 28.853 ( 0.000 0.000 0.000) 0.000 28.853 ( 0.000 0.000 0.000) 0.000 29.026 ( 0.000 0.000 0.000) 0.000 29.026 ( 0.000 0.000 0.000) 0.000 29.251 ( 0.000 0.000 0.000) 0.000 29.251 ( 0.000 0.000 0.000) 0.000 29.532 ( 0.000 0.000 0.000) 0.000 29.532 ( 0.000 0.000 0.000) 0.000 30.340 ( 0.000 0.000 0.000) 0.000 30.340 ( 0.000 0.000 0.000) 0.000 30.430 ( 0.000 0.000 0.000) 0.000 30.430 ( 0.000 0.000 0.000) 0.000 30.591 ( 0.000 0.000 0.000) 0.000 30.591 ( 0.000 0.000 0.000) 0.000 30.821 ( -0.000 0.000 0.000) 0.000 30.821 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 77 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 0.000 0.000 34.398) 34.398 1.067 ( 0.000 0.000 44.721) 44.721 1.471 ( 0.000 0.000 43.117) 43.117 1.591 ( 0.000 0.000 -11.655) 11.655 2.010 ( 0.000 0.000 -36.570) 36.570 2.848 ( 0.000 0.000 -51.016) 51.016 3.050 ( 0.000 0.000 20.659) 20.659 3.195 ( 0.000 0.000 4.497) 4.497 3.270 ( 0.000 0.000 -5.639) 5.639 3.341 ( 0.000 0.000 9.481) 9.481 3.417 ( 0.000 0.000 8.790) 8.790 3.468 ( 0.000 0.000 -12.041) 12.041 3.926 ( 0.000 0.000 -4.761) 4.761 3.953 ( 0.000 0.000 -5.089) 5.089 4.421 ( 0.000 0.000 6.814) 6.814 4.427 ( 0.000 0.000 1.875) 1.875 4.467 ( 0.000 0.000 -1.559) 1.559 4.506 ( 0.000 0.000 8.955) 8.955 4.666 ( 0.000 0.000 -8.695) 8.695 4.675 ( 0.000 0.000 -5.579) 5.579 4.692 ( 0.000 0.000 3.287) 3.287 4.747 ( 0.000 0.000 0.713) 0.713 4.766 ( 0.000 0.000 -1.641) 1.641 4.799 ( 0.000 0.000 -3.533) 3.533 4.827 ( 0.000 0.000 -3.349) 3.349 4.830 ( 0.000 0.000 -5.308) 5.308 5.078 ( 0.000 0.000 4.296) 4.296 5.148 ( 0.000 0.000 -0.795) 0.795 5.191 ( 0.000 0.000 7.187) 7.187 5.374 ( 0.000 0.000 -4.459) 4.459 5.467 ( 0.000 0.000 2.222) 2.222 5.510 ( 0.000 0.000 -5.214) 5.214 5.567 ( 0.000 0.000 18.842) 18.842 5.587 ( 0.000 0.000 3.205) 3.205 5.714 ( 0.000 0.000 -0.956) 0.956 5.715 ( 0.000 0.000 4.820) 4.820 5.847 ( 0.000 0.000 -7.854) 7.854 5.969 ( 0.000 0.000 1.750) 1.750 6.004 ( 0.000 0.000 -0.684) 0.684 6.030 ( 0.000 0.000 -13.141) 13.141 6.309 ( 0.000 0.000 18.502) 18.502 6.380 ( 0.000 0.000 6.033) 6.033 6.418 ( 0.000 0.000 5.210) 5.210 6.555 ( 0.000 0.000 0.399) 0.399 6.561 ( 0.000 0.000 -0.035) 0.035 6.621 ( 0.000 0.000 3.597) 3.597 6.680 ( 0.000 0.000 4.164) 4.164 6.720 ( 0.000 0.000 -3.889) 3.889 6.745 ( 0.000 0.000 3.557) 3.557 6.941 ( 0.000 0.000 -23.104) 23.104 7.141 ( 0.000 0.000 4.581) 4.581 7.208 ( 0.000 0.000 1.901) 1.901 7.238 ( 0.000 0.000 2.601) 2.601 7.334 ( 0.000 0.000 -11.564) 11.564 7.387 ( 0.000 0.000 -3.808) 3.808 7.438 ( 0.000 0.000 -4.618) 4.618 7.530 ( 0.000 0.000 -0.751) 0.751 7.542 ( 0.000 0.000 -3.200) 3.200 7.665 ( 0.000 0.000 5.080) 5.080 7.736 ( 0.000 0.000 7.276) 7.276 7.805 ( 0.000 0.000 -6.285) 6.285 7.885 ( 0.000 0.000 -5.059) 5.059 7.988 ( 0.000 0.000 7.735) 7.735 8.012 ( 0.000 0.000 -1.482) 1.482 8.024 ( 0.000 0.000 4.595) 4.595 8.079 ( 0.000 0.000 -0.801) 0.801 8.130 ( 0.000 0.000 -3.826) 3.826 8.208 ( 0.000 0.000 -5.471) 5.471 8.333 ( 0.000 0.000 5.100) 5.100 8.372 ( 0.000 0.000 3.319) 3.319 8.733 ( 0.000 0.000 3.009) 3.009 8.848 ( 0.000 0.000 -5.081) 5.081 8.920 ( 0.000 0.000 2.163) 2.163 8.996 ( 0.000 0.000 -4.383) 4.383 9.151 ( 0.000 0.000 7.268) 7.268 9.217 ( 0.000 0.000 3.414) 3.414 9.259 ( 0.000 0.000 3.681) 3.681 9.263 ( 0.000 0.000 0.879) 0.879 9.313 ( 0.000 0.000 -5.359) 5.359 9.374 ( 0.000 0.000 -6.196) 6.196 9.483 ( 0.000 0.000 1.861) 1.861 9.586 ( 0.000 0.000 -5.649) 5.649 9.633 ( 0.000 0.000 2.435) 2.435 9.688 ( 0.000 0.000 -2.306) 2.306 9.823 ( 0.000 0.000 4.885) 4.885 9.919 ( 0.000 0.000 -2.923) 2.923 9.950 ( 0.000 0.000 12.750) 12.750 10.219 ( 0.000 0.000 5.523) 5.523 10.231 ( 0.000 0.000 -9.823) 9.823 10.353 ( 0.000 0.000 -5.025) 5.025 10.385 ( 0.000 0.000 3.110) 3.110 10.458 ( 0.000 0.000 -2.582) 2.582 10.718 ( 0.000 0.000 1.885) 1.885 10.783 ( 0.000 0.000 -3.221) 3.221 10.875 ( 0.000 0.000 1.180) 1.180 10.904 ( 0.000 0.000 -1.121) 1.121 11.062 ( 0.000 0.000 -0.726) 0.726 11.092 ( 0.000 0.000 -2.452) 2.452 11.182 ( 0.000 0.000 2.174) 2.174 11.224 ( 0.000 0.000 -1.231) 1.231 11.246 ( 0.000 0.000 1.826) 1.826 11.263 ( 0.000 0.000 0.196) 0.196 11.871 ( 0.000 0.000 3.470) 3.470 11.951 ( 0.000 0.000 -2.981) 2.981 12.429 ( 0.000 0.000 4.578) 4.578 12.460 ( 0.000 0.000 3.032) 3.032 12.549 ( 0.000 0.000 -4.108) 4.108 12.550 ( 0.000 0.000 -5.072) 5.072 12.748 ( 0.000 0.000 1.591) 1.591 12.775 ( 0.000 0.000 -0.513) 0.513 13.475 ( 0.000 0.000 8.195) 8.195 13.667 ( 0.000 0.000 -5.430) 5.430 13.817 ( 0.000 0.000 0.980) 0.980 13.958 ( 0.000 0.000 -9.160) 9.160 14.174 ( 0.000 0.000 -0.058) 0.058 14.176 ( 0.000 0.000 -0.250) 0.250 14.340 ( 0.000 0.000 1.243) 1.243 14.356 ( 0.000 0.000 -0.027) 0.027 14.477 ( 0.000 0.000 0.864) 0.864 14.487 ( 0.000 0.000 7.794) 7.794 14.495 ( 0.000 0.000 -0.547) 0.547 14.566 ( 0.000 0.000 1.419) 1.419 14.580 ( 0.000 0.000 0.078) 0.078 14.597 ( 0.000 0.000 -0.986) 0.986 14.686 ( 0.000 0.000 -0.585) 0.585 14.693 ( 0.000 0.000 -1.090) 1.090 14.741 ( 0.000 0.000 0.508) 0.508 14.758 ( 0.000 0.000 -0.623) 0.623 15.230 ( 0.000 0.000 4.562) 4.562 15.355 ( 0.000 0.000 -5.153) 5.153 15.589 ( 0.000 0.000 4.572) 4.572 15.707 ( 0.000 0.000 -4.738) 4.738 16.685 ( 0.000 0.000 3.130) 3.130 16.769 ( 0.000 0.000 -3.523) 3.523 17.540 ( 0.000 0.000 0.209) 0.209 17.561 ( 0.000 0.000 -1.877) 1.877 18.197 ( 0.000 0.000 10.022) 10.022 18.417 ( 0.000 0.000 -7.792) 7.792 18.520 ( 0.000 0.000 2.623) 2.623 18.613 ( 0.000 0.000 -5.037) 5.037 18.959 ( 0.000 0.000 2.627) 2.627 19.013 ( 0.000 0.000 -1.759) 1.759 19.610 ( 0.000 0.000 1.092) 1.092 19.626 ( 0.000 0.000 0.016) 0.016 20.159 ( 0.000 0.000 3.681) 3.681 20.252 ( 0.000 0.000 -3.588) 3.588 20.900 ( 0.000 0.000 1.282) 1.282 20.933 ( 0.000 0.000 -1.280) 1.280 21.470 ( 0.000 0.000 1.911) 1.911 21.524 ( 0.000 0.000 -2.514) 2.514 21.719 ( 0.000 0.000 3.097) 3.097 21.810 ( 0.000 0.000 -4.752) 4.752 22.069 ( 0.000 0.000 3.759) 3.759 22.131 ( 0.000 0.000 -1.580) 1.580 23.318 ( 0.000 0.000 2.458) 2.458 23.384 ( 0.000 0.000 -2.801) 2.801 26.298 ( 0.000 0.000 0.546) 0.546 26.314 ( 0.000 0.000 -0.757) 0.757 26.358 ( 0.000 0.000 1.090) 1.090 26.384 ( 0.000 0.000 -0.967) 0.967 27.740 ( 0.000 0.000 0.177) 0.177 27.745 ( 0.000 0.000 -0.309) 0.309 27.764 ( 0.000 0.000 0.327) 0.327 27.770 ( 0.000 0.000 -0.195) 0.195 28.430 ( 0.000 0.000 1.414) 1.414 28.464 ( 0.000 0.000 -1.292) 1.292 28.886 ( 0.000 0.000 1.724) 1.724 28.928 ( 0.000 0.000 -1.637) 1.637 29.001 ( 0.000 0.000 1.576) 1.576 29.042 ( 0.000 0.000 -1.682) 1.682 29.044 ( 0.000 0.000 2.107) 2.107 29.111 ( 0.000 0.000 -3.656) 3.656 29.380 ( 0.000 0.000 6.535) 6.535 29.518 ( 0.000 0.000 -4.880) 4.880 30.195 ( 0.000 0.000 0.008) 0.008 30.195 ( 0.000 0.000 -0.018) 0.018 30.612 ( 0.000 0.000 1.357) 1.357 30.645 ( 0.000 0.000 -1.221) 1.221 33.028 ( 0.000 0.000 3.270) 3.270 33.111 ( 0.000 0.000 -3.267) 3.267 ======================= Grid point 78 (26/48) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 34.396 0.000 19.876) 39.726 1.231 ( 22.650 0.000 30.956) 38.357 1.754 ( 19.762 0.000 -23.390) 30.621 2.049 ( 5.660 0.000 -34.497) 34.958 2.160 ( 50.538 0.000 39.574) 64.189 3.064 ( 12.854 0.000 -29.687) 32.350 3.064 ( -1.294 0.000 17.939) 17.986 3.172 ( 1.034 0.000 3.425) 3.578 3.221 ( 1.353 0.000 -4.422) 4.624 3.418 ( 4.922 0.000 11.091) 12.134 3.422 ( 0.557 0.000 -9.647) 9.663 3.672 ( 18.619 0.000 -2.170) 18.745 3.848 ( -10.414 0.000 -1.448) 10.514 4.009 ( 5.032 0.000 -5.917) 7.767 4.237 ( -15.751 0.000 1.627) 15.835 4.253 ( -16.587 0.000 -0.447) 16.593 4.318 ( -4.182 0.000 -0.441) 4.206 4.452 ( -13.618 0.000 -8.435) 16.019 4.501 ( 2.686 0.000 12.852) 13.130 4.706 ( 1.838 0.000 -5.167) 5.484 4.742 ( 1.828 0.000 1.729) 2.516 4.757 ( 1.147 0.000 2.704) 2.938 4.771 ( 0.099 0.000 -1.011) 1.016 4.878 ( -0.344 0.000 1.336) 1.379 4.928 ( 7.893 0.000 -4.500) 9.086 4.987 ( 9.313 0.000 -4.138) 10.191 5.135 ( 0.026 0.000 2.405) 2.405 5.194 ( 12.129 0.000 -4.857) 13.065 5.250 ( 5.463 0.000 2.844) 6.159 5.410 ( -1.265 0.000 2.579) 2.873 5.419 ( -3.003 0.000 -10.380) 10.806 5.438 ( 1.670 0.000 0.269) 1.691 5.556 ( -3.403 0.000 0.115) 3.405 5.559 ( -3.510 0.000 8.619) 9.306 5.703 ( 0.601 0.000 6.078) 6.108 5.804 ( 5.751 0.000 3.925) 6.962 5.874 ( 4.630 0.000 -3.285) 5.677 5.963 ( -2.416 0.000 -4.408) 5.027 6.013 ( 1.292 0.000 3.683) 3.903 6.054 ( 3.902 0.000 -4.383) 5.868 6.233 ( -6.222 0.000 10.637) 12.323 6.389 ( -4.068 0.000 5.615) 6.934 6.401 ( -2.280 0.000 3.938) 4.550 6.518 ( -5.513 0.000 -3.914) 6.761 6.545 ( -12.272 0.000 -2.780) 12.583 6.572 ( 1.523 0.000 -1.655) 2.249 6.641 ( 3.618 0.000 2.537) 4.419 6.697 ( 4.885 0.000 1.928) 5.252 6.891 ( 10.666 0.000 2.460) 10.946 6.904 ( -3.848 0.000 -3.202) 5.006 7.100 ( -11.879 0.000 -0.719) 11.900 7.150 ( -14.563 0.000 -0.395) 14.568 7.180 ( -2.720 0.000 -2.542) 3.723 7.208 ( -8.625 0.000 -7.172) 11.217 7.283 ( -0.898 0.000 1.595) 1.831 7.386 ( 8.981 0.000 -1.790) 9.158 7.505 ( -5.025 0.000 1.990) 5.405 7.527 ( -6.160 0.000 2.821) 6.776 7.714 ( 3.898 0.000 0.978) 4.018 7.805 ( -4.335 0.000 -5.407) 6.930 7.836 ( 5.842 0.000 3.036) 6.584 7.918 ( 1.496 0.000 -2.244) 2.697 7.945 ( -0.666 0.000 -1.069) 1.259 7.948 ( -4.963 0.000 -2.315) 5.477 8.027 ( 3.130 0.000 6.435) 7.156 8.070 ( -0.637 0.000 2.668) 2.743 8.181 ( 0.376 0.000 -0.516) 0.639 8.204 ( -0.827 0.000 -2.999) 3.111 8.306 ( -2.299 0.000 5.781) 6.221 8.398 ( -0.550 0.000 2.415) 2.477 8.599 ( -10.757 0.000 2.860) 11.130 8.697 ( -11.122 0.000 -4.668) 12.062 8.716 ( -10.229 0.000 11.824) 15.635 9.025 ( -6.675 0.000 -9.001) 11.206 9.094 ( 8.199 0.000 0.304) 8.205 9.133 ( 1.675 0.000 -3.811) 4.163 9.264 ( 5.667 0.000 6.271) 8.452 9.273 ( -0.823 0.000 4.005) 4.089 9.380 ( 0.565 0.000 -0.198) 0.599 9.393 ( -4.919 0.000 -2.078) 5.340 9.566 ( -4.800 0.000 -0.755) 4.859 9.578 ( 5.769 0.000 3.926) 6.979 9.690 ( -0.401 0.000 -6.939) 6.950 9.726 ( -1.769 0.000 3.997) 4.371 9.773 ( 6.747 0.000 -8.241) 10.651 9.846 ( -3.600 0.000 -4.329) 5.630 9.988 ( -8.539 0.000 6.274) 10.597 10.116 ( 6.442 0.000 10.517) 12.334 10.144 ( -8.453 0.000 -4.998) 9.820 10.338 ( 3.106 0.000 -6.825) 7.498 10.341 ( 0.949 0.000 4.717) 4.812 10.420 ( -0.659 0.000 -3.190) 3.257 10.790 ( -8.898 0.000 1.762) 9.071 10.804 ( 4.165 0.000 1.659) 4.483 10.822 ( -2.830 0.000 -1.163) 3.060 10.870 ( -1.963 0.000 -2.952) 3.545 11.060 ( -2.559 0.000 0.611) 2.631 11.073 ( -0.808 0.000 -0.002) 0.808 11.131 ( -0.602 0.000 2.810) 2.874 11.174 ( -1.360 0.000 0.578) 1.477 11.292 ( -0.721 0.000 -1.166) 1.371 11.305 ( 1.130 0.000 -3.356) 3.541 11.811 ( -15.275 0.000 3.186) 15.603 11.829 ( -10.436 0.000 1.088) 10.492 12.290 ( 2.157 0.000 0.194) 2.165 12.295 ( 6.486 0.000 -0.255) 6.491 12.691 ( 16.207 0.000 -0.159) 16.208 12.732 ( 14.602 0.000 -2.881) 14.884 12.915 ( 5.287 0.000 8.484) 9.997 13.197 ( 3.128 0.000 -13.311) 13.673 13.475 ( 1.260 0.000 5.105) 5.258 13.635 ( -3.770 0.000 -4.140) 5.600 13.860 ( 4.879 0.000 -1.018) 4.984 13.960 ( 1.011 0.000 -7.748) 7.814 14.159 ( -2.360 0.000 0.865) 2.513 14.169 ( -2.539 0.000 0.085) 2.541 14.444 ( 0.269 0.000 3.732) 3.742 14.478 ( 0.854 0.000 -0.791) 1.164 14.499 ( 1.555 0.000 4.294) 4.567 14.542 ( -2.661 0.000 1.227) 2.930 14.569 ( 1.995 0.000 1.423) 2.451 14.590 ( -0.722 0.000 -0.678) 0.990 14.626 ( -0.823 0.000 3.160) 3.266 14.694 ( -1.249 0.000 -1.407) 1.881 14.793 ( 3.847 0.000 -0.739) 3.917 14.798 ( 7.965 0.000 -1.569) 8.118 15.008 ( 42.066 0.000 10.285) 43.305 15.319 ( 9.378 0.000 -9.866) 13.612 15.330 ( 11.817 0.000 5.952) 13.232 15.461 ( 7.391 0.000 -3.212) 8.059 15.714 ( 7.681 0.000 0.621) 7.706 16.120 ( 69.879 0.000 -52.769) 87.565 16.723 ( 14.886 0.000 -4.579) 15.574 16.771 ( 1.146 0.000 -3.513) 3.695 17.603 ( 4.802 0.000 -0.276) 4.810 17.610 ( 7.239 0.000 -0.602) 7.264 18.109 ( -8.064 0.000 9.072) 12.138 18.326 ( -7.205 0.000 -8.814) 11.384 18.598 ( 5.519 0.000 4.513) 7.129 18.714 ( 9.343 0.000 -5.438) 10.811 19.011 ( 4.319 0.000 1.764) 4.665 19.049 ( 2.852 0.000 -1.640) 3.290 19.576 ( -1.848 0.000 0.251) 1.865 19.579 ( -4.309 0.000 0.196) 4.313 20.089 ( -6.903 0.000 4.537) 8.261 20.193 ( -6.201 0.000 -3.694) 7.218 20.591 ( -31.312 0.000 2.793) 31.437 20.641 ( -32.326 0.000 0.933) 32.340 21.484 ( 1.677 0.000 3.370) 3.764 21.539 ( 1.526 0.000 -2.002) 2.517 21.663 ( -8.646 0.000 5.891) 10.462 21.695 ( -1.428 0.000 0.252) 1.450 22.073 ( 0.965 0.000 5.237) 5.325 22.166 ( 3.883 0.000 -2.678) 4.716 22.782 ( -29.860 0.000 25.860) 39.502 23.090 ( -18.282 0.000 -5.046) 18.965 26.361 ( 4.908 0.000 1.890) 5.259 26.393 ( 3.390 0.000 1.631) 3.762 26.418 ( 3.882 0.000 -1.865) 4.306 26.479 ( 7.467 0.000 -7.565) 10.629 27.739 ( 0.013 0.000 0.076) 0.077 27.741 ( -0.226 0.000 -0.005) 0.226 27.760 ( -0.341 0.000 0.356) 0.493 27.766 ( -0.336 0.000 -0.184) 0.383 28.434 ( 0.635 0.000 0.091) 0.642 28.440 ( 3.260 0.000 -0.480) 3.296 28.839 ( -1.792 0.000 4.263) 4.624 28.897 ( -3.444 0.000 -0.901) 3.560 28.973 ( -0.807 0.000 0.746) 1.099 29.014 ( 0.989 0.000 -2.128) 2.347 29.282 ( -5.319 0.000 4.892) 7.227 29.362 ( 1.736 0.000 -1.603) 2.363 29.623 ( 29.868 0.000 2.388) 29.963 29.831 ( 33.896 0.000 -16.605) 37.745 30.282 ( 7.737 0.000 -0.102) 7.737 30.342 ( 14.082 0.000 -9.211) 16.827 30.626 ( 1.581 0.000 2.263) 2.760 30.691 ( 7.235 0.000 -4.152) 8.342 32.620 ( -37.157 0.000 13.913) 39.676 32.724 ( -29.124 0.000 0.124) 29.124 ======================= Grid point 79 (27/48) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 33.915 0.000 11.019) 35.660 1.881 ( 32.721 0.000 5.630) 33.202 2.210 ( 25.882 0.000 -10.365) 27.880 2.289 ( 19.753 0.000 -16.423) 25.688 2.815 ( -7.243 0.000 4.967) 8.782 2.900 ( -17.166 0.000 -3.089) 17.441 3.021 ( 1.948 0.000 17.288) 17.398 3.329 ( 9.750 0.000 9.287) 13.465 3.361 ( -13.799 0.000 -7.063) 15.501 3.518 ( 21.832 0.000 3.984) 22.192 3.520 ( -3.542 0.000 -1.049) 3.694 3.657 ( 19.199 0.000 -12.911) 23.137 3.858 ( -9.479 0.000 4.343) 10.427 3.918 ( -16.219 0.000 0.667) 16.233 4.112 ( 2.401 0.000 2.763) 3.661 4.148 ( 4.869 0.000 -0.083) 4.870 4.330 ( 6.552 0.000 -4.092) 7.725 4.422 ( 17.699 0.000 -13.987) 22.559 4.570 ( 5.067 0.000 12.862) 13.824 4.735 ( 1.066 0.000 -4.479) 4.604 4.742 ( -1.831 0.000 0.316) 1.858 4.763 ( 1.217 0.000 0.201) 1.234 4.782 ( 1.446 0.000 2.525) 2.910 4.909 ( 2.378 0.000 2.309) 3.314 5.018 ( 1.413 0.000 -3.057) 3.367 5.104 ( 4.453 0.000 -2.341) 5.031 5.151 ( -0.760 0.000 4.338) 4.404 5.296 ( 1.386 0.000 -0.256) 1.410 5.334 ( -1.564 0.000 -8.247) 8.394 5.380 ( 1.816 0.000 -6.225) 6.484 5.458 ( 1.699 0.000 0.065) 1.700 5.471 ( -9.247 0.000 1.041) 9.305 5.543 ( 3.753 0.000 1.733) 4.134 5.547 ( 9.368 0.000 -4.995) 10.617 5.722 ( -0.895 0.000 8.542) 8.588 5.880 ( 4.371 0.000 4.023) 5.941 5.899 ( -0.731 0.000 -2.317) 2.429 5.991 ( 3.032 0.000 -3.808) 4.868 6.018 ( -1.329 0.000 8.392) 8.497 6.114 ( -4.211 0.000 -2.168) 4.736 6.124 ( -11.541 0.000 0.995) 11.584 6.132 ( -4.841 0.000 1.042) 4.952 6.233 ( -11.389 0.000 3.676) 11.967 6.330 ( -8.254 0.000 -2.745) 8.699 6.541 ( 1.517 0.000 0.534) 1.608 6.609 ( 0.342 0.000 -3.769) 3.785 6.682 ( -5.192 0.000 -1.169) 5.322 6.699 ( -11.346 0.000 1.501) 11.444 6.841 ( 3.718 0.000 0.469) 3.747 6.896 ( 0.752 0.000 -0.387) 0.845 6.945 ( 1.758 0.000 -2.234) 2.842 6.999 ( -3.173 0.000 -6.299) 7.053 7.108 ( -3.717 0.000 1.502) 4.009 7.125 ( -4.817 0.000 0.809) 4.885 7.262 ( -2.211 0.000 8.131) 8.427 7.431 ( 0.936 0.000 7.396) 7.455 7.472 ( -1.701 0.000 -8.380) 8.551 7.585 ( 10.126 0.000 -1.421) 10.226 7.680 ( -4.591 0.000 0.372) 4.606 7.768 ( 1.539 0.000 -3.478) 3.803 7.840 ( -1.226 0.000 1.384) 1.849 7.889 ( -1.310 0.000 -1.368) 1.894 7.962 ( -0.011 0.000 7.863) 7.863 7.975 ( -0.971 0.000 3.694) 3.819 8.046 ( -0.199 0.000 3.031) 3.038 8.047 ( -1.047 0.000 3.959) 4.095 8.156 ( -6.122 0.000 -2.023) 6.448 8.167 ( 1.107 0.000 2.454) 2.692 8.259 ( -8.980 0.000 -1.931) 9.185 8.265 ( -0.167 0.000 -3.674) 3.678 8.400 ( -6.991 0.000 8.394) 10.924 8.587 ( -0.053 0.000 -3.243) 3.244 8.796 ( 11.180 0.000 -7.991) 13.742 8.809 ( -12.387 0.000 -10.893) 16.495 9.072 ( -10.684 0.000 3.522) 11.249 9.198 ( -3.435 0.000 -5.009) 6.073 9.257 ( -2.409 0.000 3.666) 4.387 9.292 ( 4.916 0.000 1.744) 5.216 9.416 ( 3.351 0.000 5.337) 6.302 9.422 ( 4.180 0.000 1.435) 4.419 9.458 ( -1.092 0.000 1.160) 1.593 9.572 ( -5.406 0.000 -2.786) 6.082 9.662 ( -2.757 0.000 2.763) 3.903 9.711 ( 2.211 0.000 7.314) 7.641 9.782 ( -5.183 0.000 -2.511) 5.759 9.877 ( 3.888 0.000 -6.589) 7.651 9.926 ( 1.343 0.000 -2.444) 2.789 10.010 ( -4.269 0.000 -5.174) 6.708 10.300 ( 9.180 0.000 6.866) 11.463 10.392 ( 3.330 0.000 3.545) 4.864 10.445 ( 4.783 0.000 -2.146) 5.242 10.464 ( 4.489 0.000 -5.069) 6.771 10.631 ( -2.159 0.000 3.733) 4.312 10.718 ( -4.063 0.000 -3.410) 5.304 10.834 ( -3.765 0.000 0.818) 3.853 10.852 ( -0.562 0.000 -1.113) 1.247 11.028 ( 0.512 0.000 -0.558) 0.758 11.031 ( -0.448 0.000 -0.445) 0.631 11.148 ( -1.798 0.000 3.028) 3.522 11.189 ( 3.238 0.000 3.282) 4.610 11.224 ( -5.245 0.000 -2.353) 5.749 11.281 ( -2.395 0.000 -3.089) 3.908 11.502 ( -14.737 0.000 2.035) 14.877 11.530 ( -16.312 0.000 -0.225) 16.313 12.504 ( 14.916 0.000 2.113) 15.065 12.550 ( 16.093 0.000 -1.130) 16.133 12.908 ( -2.998 0.000 4.418) 5.339 12.944 ( 6.090 0.000 -2.484) 6.577 13.035 ( 13.606 0.000 1.045) 13.646 13.165 ( -0.099 0.000 -3.556) 3.558 13.448 ( -5.036 0.000 -1.007) 5.135 13.509 ( -9.293 0.000 -2.977) 9.758 13.983 ( 6.773 0.000 -1.019) 6.849 14.015 ( 4.765 0.000 -3.367) 5.834 14.120 ( -1.169 0.000 2.067) 2.375 14.136 ( -0.666 0.000 1.063) 1.255 14.430 ( -1.464 0.000 3.844) 4.113 14.472 ( -1.759 0.000 -1.197) 2.127 14.477 ( -3.904 0.000 0.271) 3.913 14.489 ( -1.638 0.000 0.459) 1.701 14.590 ( 0.698 0.000 2.752) 2.839 14.611 ( -0.617 0.000 2.338) 2.418 14.614 ( 1.928 0.000 0.646) 2.033 14.664 ( -1.476 0.000 -1.263) 1.943 14.887 ( 6.784 0.000 0.204) 6.787 14.934 ( 6.986 0.000 -3.684) 7.898 15.248 ( -9.235 0.000 0.134) 9.236 15.264 ( -6.517 0.000 -1.329) 6.651 15.612 ( 19.213 0.000 4.828) 19.810 15.723 ( 18.605 0.000 -4.109) 19.053 16.162 ( 9.323 0.000 11.301) 14.650 16.375 ( -10.279 0.000 -4.865) 11.372 17.044 ( 35.636 0.000 9.890) 36.983 17.614 ( 32.579 0.000 -35.470) 48.161 17.783 ( 16.119 0.000 2.168) 16.264 17.870 ( 27.019 0.000 -10.883) 29.128 17.918 ( -11.431 0.000 8.675) 14.350 18.165 ( -8.762 0.000 -12.152) 14.982 18.673 ( -0.170 0.000 9.207) 9.209 18.885 ( -1.107 0.000 -8.821) 8.890 19.046 ( 2.125 0.000 0.840) 2.285 19.090 ( 2.904 0.000 -3.813) 4.792 19.534 ( 2.635 0.000 4.781) 5.459 19.625 ( 7.904 0.000 -3.233) 8.540 19.858 ( -38.208 0.000 1.612) 38.242 19.868 ( -35.039 0.000 2.764) 35.147 19.915 ( -11.070 0.000 6.614) 12.895 20.068 ( -12.899 0.000 -4.331) 13.607 21.531 ( 2.739 0.000 3.247) 4.248 21.580 ( 2.573 0.000 -1.556) 3.007 21.592 ( -0.854 0.000 5.994) 6.054 21.671 ( -1.493 0.000 -1.521) 2.131 22.122 ( 4.440 0.000 8.114) 9.250 22.287 ( 8.777 0.000 -5.372) 10.291 22.430 ( -11.772 0.000 17.436) 21.038 22.759 ( -15.451 0.000 -9.219) 17.992 26.445 ( 3.629 0.000 1.928) 4.109 26.463 ( 3.015 0.000 2.669) 4.026 26.503 ( 4.479 0.000 -2.618) 5.188 26.566 ( 2.140 0.000 -5.940) 6.314 27.739 ( 0.032 0.000 0.150) 0.154 27.741 ( 0.205 0.000 -0.056) 0.213 27.752 ( -0.515 0.000 0.359) 0.627 27.758 ( -0.535 0.000 -0.170) 0.561 28.511 ( 6.590 0.000 1.342) 6.725 28.544 ( 6.874 0.000 -1.249) 6.987 28.788 ( -4.099 0.000 1.904) 4.520 28.801 ( -6.464 0.000 0.289) 6.471 28.973 ( 1.391 0.000 2.721) 3.056 29.051 ( 2.931 0.000 -2.933) 4.147 29.154 ( -7.005 0.000 5.082) 8.655 29.254 ( -7.207 0.000 -3.066) 7.832 30.211 ( 12.039 0.000 1.727) 12.162 30.283 ( 25.808 0.000 -4.350) 26.172 30.441 ( 7.763 0.000 0.741) 7.798 30.477 ( -0.801 0.000 -1.992) 2.147 30.725 ( 14.170 0.000 9.488) 17.054 31.027 ( 23.098 0.000 -17.713) 29.108 31.969 ( -29.650 0.000 7.758) 30.648 32.042 ( -39.215 0.000 -0.218) 39.215 ======================= Grid point 80 (28/48) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -21.347 0.000 1.988) 21.439 2.408 ( 21.347 0.000 1.988) 21.439 2.427 ( -28.224 0.000 1.421) 28.260 2.427 ( 28.224 0.000 1.421) 28.260 2.703 ( -24.853 0.000 4.595) 25.274 2.703 ( 24.853 0.000 4.595) 25.274 2.876 ( -26.274 0.000 -8.049) 27.479 2.876 ( 26.274 0.000 -8.049) 27.479 3.562 ( -14.871 0.000 2.460) 15.073 3.562 ( 14.871 0.000 2.460) 15.073 3.626 ( -9.913 0.000 -2.200) 10.154 3.626 ( 9.913 0.000 -2.200) 10.154 4.013 ( -12.199 0.000 -0.249) 12.202 4.013 ( 12.199 0.000 -0.249) 12.202 4.058 ( -14.331 0.000 -3.500) 14.752 4.058 ( 14.331 0.000 -3.500) 14.752 4.628 ( -3.206 0.000 3.282) 4.588 4.628 ( 3.206 0.000 3.282) 4.588 4.674 ( -11.619 0.000 0.890) 11.653 4.674 ( 11.619 0.000 0.890) 11.653 4.811 ( -12.757 0.000 -0.284) 12.760 4.811 ( 12.757 0.000 -0.284) 12.760 4.812 ( -0.674 0.000 1.791) 1.914 4.812 ( 0.674 0.000 1.791) 1.914 5.105 ( -13.280 0.000 10.060) 16.660 5.105 ( 13.280 0.000 10.060) 16.660 5.185 ( -5.639 0.000 0.808) 5.697 5.185 ( 5.639 0.000 0.808) 5.697 5.361 ( -3.251 0.000 -10.082) 10.593 5.361 ( 3.251 0.000 -10.082) 10.593 5.380 ( -13.772 0.000 -9.528) 16.746 5.380 ( 13.772 0.000 -9.528) 16.746 5.605 ( -6.747 0.000 7.079) 9.780 5.605 ( 6.747 0.000 7.079) 9.780 5.792 ( -13.785 0.000 -7.152) 15.530 5.792 ( 13.785 0.000 -7.152) 15.530 5.970 ( -5.499 0.000 3.706) 6.631 5.970 ( 5.499 0.000 3.706) 6.631 6.003 ( -6.475 0.000 5.147) 8.271 6.003 ( 6.475 0.000 5.147) 8.271 6.059 ( -6.982 0.000 2.555) 7.435 6.059 ( 6.982 0.000 2.555) 7.435 6.206 ( -5.965 0.000 -5.922) 8.406 6.206 ( 5.965 0.000 -5.922) 8.406 6.566 ( -2.604 0.000 -0.077) 2.605 6.566 ( 2.604 0.000 -0.077) 2.605 6.594 ( -1.074 0.000 -2.715) 2.920 6.594 ( 1.074 0.000 -2.715) 2.920 6.897 ( -4.463 0.000 3.440) 5.635 6.897 ( 4.463 0.000 3.440) 5.635 6.965 ( -2.810 0.000 -2.078) 3.495 6.965 ( 2.810 0.000 -2.078) 3.495 7.124 ( -8.831 0.000 5.040) 10.168 7.124 ( 8.831 0.000 5.040) 10.168 7.269 ( -14.748 0.000 -6.859) 16.265 7.269 ( 14.748 0.000 -6.859) 16.265 7.613 ( -13.592 0.000 4.726) 14.390 7.613 ( 13.592 0.000 4.726) 14.390 7.696 ( -2.140 0.000 -1.840) 2.822 7.696 ( 2.140 0.000 -1.840) 2.822 7.885 ( -3.839 0.000 1.581) 4.152 7.885 ( 3.839 0.000 1.581) 4.152 7.943 ( -8.750 0.000 2.745) 9.170 7.943 ( 8.750 0.000 2.745) 9.170 8.002 ( -3.248 0.000 4.238) 5.339 8.002 ( 3.248 0.000 4.238) 5.339 8.145 ( -4.398 0.000 -1.464) 4.635 8.145 ( 4.398 0.000 -1.464) 4.635 8.270 ( -6.211 0.000 2.059) 6.544 8.270 ( 6.211 0.000 2.059) 6.544 8.401 ( -14.375 0.000 -7.419) 16.176 8.401 ( 14.375 0.000 -7.419) 16.176 8.844 ( -11.768 0.000 3.387) 12.246 8.844 ( 11.768 0.000 3.387) 12.246 9.020 ( -11.159 0.000 -9.179) 14.449 9.020 ( 11.159 0.000 -9.179) 14.449 9.307 ( -5.221 0.000 5.499) 7.583 9.307 ( 5.221 0.000 5.499) 7.583 9.407 ( -6.564 0.000 -0.476) 6.581 9.407 ( 6.564 0.000 -0.476) 6.581 9.564 ( -5.831 0.000 3.500) 6.801 9.564 ( 5.831 0.000 3.500) 6.801 9.618 ( -8.299 0.000 2.918) 8.797 9.618 ( 8.299 0.000 2.918) 8.797 9.861 ( -7.280 0.000 -1.385) 7.411 9.861 ( 7.280 0.000 -1.385) 7.411 9.947 ( -3.405 0.000 -5.952) 6.858 9.947 ( 3.405 0.000 -5.952) 6.858 10.413 ( -2.324 0.000 3.753) 4.414 10.413 ( 2.324 0.000 3.753) 4.414 10.490 ( -0.382 0.000 -2.463) 2.492 10.490 ( 0.382 0.000 -2.463) 2.492 10.737 ( -4.943 0.000 0.346) 4.955 10.737 ( 4.943 0.000 0.346) 4.955 10.754 ( -8.971 0.000 -1.103) 9.038 10.754 ( 8.971 0.000 -1.103) 9.038 11.085 ( -4.391 0.000 0.296) 4.401 11.085 ( 4.391 0.000 0.296) 4.401 11.093 ( -6.219 0.000 -0.288) 6.226 11.093 ( 6.219 0.000 -0.288) 6.226 11.291 ( -7.839 0.000 0.566) 7.860 11.291 ( 7.839 0.000 0.566) 7.860 11.297 ( -5.681 0.000 0.284) 5.688 11.297 ( 5.681 0.000 0.284) 5.688 12.765 ( -11.169 0.000 3.824) 11.806 12.765 ( 11.169 0.000 3.824) 11.806 12.837 ( -12.586 0.000 -1.579) 12.685 12.837 ( 12.586 0.000 -1.579) 12.685 13.293 ( -12.755 0.000 -1.631) 12.859 13.293 ( 12.755 0.000 -1.631) 12.859 13.299 ( -9.546 0.000 -2.690) 9.918 13.299 ( 9.546 0.000 -2.690) 9.918 14.085 ( -3.485 0.000 1.498) 3.793 14.085 ( 3.485 0.000 1.498) 3.793 14.107 ( -3.490 0.000 0.214) 3.496 14.107 ( 3.490 0.000 0.214) 3.496 14.416 ( -1.164 0.000 1.918) 2.243 14.416 ( 1.164 0.000 1.918) 2.243 14.462 ( -1.162 0.000 -1.632) 2.004 14.462 ( 1.162 0.000 -1.632) 2.004 14.600 ( -0.475 0.000 2.555) 2.599 14.600 ( 0.475 0.000 2.555) 2.599 14.640 ( -1.107 0.000 -0.387) 1.173 14.640 ( 1.107 0.000 -0.387) 1.173 15.054 ( -10.117 0.000 0.181) 10.118 15.054 ( 10.117 0.000 0.181) 10.118 15.089 ( -9.389 0.000 -2.739) 9.781 15.089 ( 9.389 0.000 -2.739) 9.781 15.996 ( -18.174 0.000 4.402) 18.699 15.996 ( 18.174 0.000 4.402) 18.699 16.091 ( -18.220 0.000 -3.219) 18.502 16.091 ( 18.220 0.000 -3.219) 18.502 17.642 ( -19.227 0.000 10.316) 21.819 17.642 ( 19.227 0.000 10.316) 21.819 17.934 ( -11.951 0.000 -12.285) 17.139 17.934 ( 11.951 0.000 -12.285) 17.139 18.367 ( -40.559 0.000 3.885) 40.745 18.367 ( 40.559 0.000 3.885) 40.745 18.473 ( -21.896 0.000 -4.660) 22.386 18.473 ( 21.896 0.000 -4.660) 22.386 19.300 ( -20.928 0.000 -3.921) 21.292 19.300 ( 20.928 0.000 -3.921) 21.292 19.301 ( -19.644 0.000 -3.104) 19.887 19.301 ( 19.644 0.000 -3.104) 19.887 19.696 ( -11.329 0.000 6.532) 13.077 19.696 ( 11.329 0.000 6.532) 13.077 19.835 ( -12.394 0.000 -4.795) 13.289 19.835 ( 12.394 0.000 -4.795) 13.289 21.574 ( -1.526 0.000 3.510) 3.827 21.574 ( 1.526 0.000 3.510) 3.827 21.631 ( -2.567 0.000 -1.540) 2.994 21.631 ( 2.567 0.000 -1.540) 2.994 22.244 ( -8.110 0.000 11.852) 14.361 22.244 ( 8.110 0.000 11.852) 14.361 22.493 ( -12.452 0.000 -8.080) 14.844 22.493 ( 12.452 0.000 -8.080) 14.844 26.488 ( -0.579 0.000 2.366) 2.436 26.488 ( 0.579 0.000 2.366) 2.436 26.568 ( -1.865 0.000 -4.068) 4.475 26.568 ( 1.865 0.000 -4.068) 4.475 27.743 ( -0.363 0.000 0.293) 0.467 27.743 ( 0.363 0.000 0.293) 0.467 27.748 ( -0.459 0.000 -0.137) 0.479 27.748 ( 0.459 0.000 -0.137) 0.479 28.658 ( -8.094 0.000 1.200) 8.182 28.658 ( 8.094 0.000 1.200) 8.182 28.680 ( -6.825 0.000 -0.400) 6.837 28.680 ( 6.825 0.000 -0.400) 6.837 29.035 ( -4.989 0.000 4.499) 6.718 29.035 ( 4.989 0.000 4.499) 6.718 29.131 ( -5.390 0.000 -3.043) 6.190 29.131 ( 5.390 0.000 -3.043) 6.190 30.393 ( -7.203 0.000 3.433) 7.980 30.393 ( 7.203 0.000 3.433) 7.980 30.491 ( -2.790 0.000 -4.373) 5.188 30.491 ( 2.790 0.000 -4.373) 5.188 31.293 ( -37.720 0.000 6.725) 38.315 31.293 ( 37.720 0.000 6.725) 38.315 31.468 ( -23.561 0.000 -7.325) 24.674 31.468 ( 23.561 0.000 -7.325) 24.674 ======================= Grid point 84 (29/48) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.000 26.393 33.916) 42.975 1.371 ( 0.000 28.646 33.917) 44.395 1.884 ( 0.000 48.761 28.600) 56.530 2.068 ( 0.000 39.418 -17.808) 43.254 2.147 ( 0.000 13.742 -32.923) 35.676 2.966 ( 0.000 17.164 -37.833) 41.545 3.246 ( 0.000 19.822 8.524) 21.577 3.280 ( 0.000 -4.549 11.701) 12.554 3.453 ( 0.000 1.910 2.825) 3.410 3.479 ( 0.000 21.978 -4.406) 22.415 3.666 ( 0.000 28.387 -0.031) 28.387 3.734 ( 0.000 28.545 -4.477) 28.894 3.897 ( 0.000 -0.572 -0.309) 0.650 4.015 ( 0.000 4.051 -5.366) 6.723 4.410 ( 0.000 -1.000 7.059) 7.129 4.529 ( 0.000 6.921 6.575) 9.546 4.602 ( 0.000 4.261 -1.542) 4.531 4.628 ( 0.000 -4.023 -0.732) 4.089 4.670 ( 0.000 -0.979 -4.779) 4.878 4.704 ( 0.000 5.964 1.971) 6.281 4.716 ( 0.000 -4.412 -7.887) 9.037 4.754 ( 0.000 7.837 -1.869) 8.057 4.773 ( 0.000 17.954 -0.810) 17.972 4.805 ( 0.000 16.637 -4.792) 17.313 4.814 ( 0.000 1.271 2.487) 2.793 4.907 ( 0.000 3.991 -5.846) 7.079 5.112 ( 0.000 1.204 6.089) 6.207 5.201 ( 0.000 3.914 4.916) 6.284 5.287 ( 0.000 8.827 -4.740) 10.019 5.392 ( 0.000 5.434 -10.470) 11.796 5.436 ( 0.000 -9.143 11.673) 14.827 5.539 ( 0.000 7.787 2.551) 8.195 5.558 ( 0.000 4.531 0.501) 4.559 5.600 ( 0.000 -2.977 1.971) 3.570 5.682 ( 0.000 -2.563 4.862) 5.496 5.700 ( 0.000 -1.117 5.400) 5.514 5.805 ( 0.000 -1.407 -5.056) 5.248 5.922 ( 0.000 -4.183 1.065) 4.316 5.940 ( 0.000 -6.404 -1.296) 6.534 6.004 ( 0.000 -1.432 -9.506) 9.613 6.326 ( 0.000 -3.939 5.158) 6.490 6.343 ( 0.000 -5.729 4.866) 7.516 6.390 ( 0.000 6.584 16.254) 17.537 6.520 ( 0.000 -3.355 0.632) 3.414 6.536 ( 0.000 -2.762 -0.487) 2.805 6.630 ( 0.000 0.595 4.199) 4.241 6.632 ( 0.000 -9.050 6.463) 11.121 6.717 ( 0.000 -0.648 -2.473) 2.556 6.733 ( 0.000 3.735 2.241) 4.356 6.945 ( 0.000 0.423 -14.663) 14.669 7.069 ( 0.000 -6.213 -2.969) 6.886 7.225 ( 0.000 -1.086 0.556) 1.220 7.247 ( 0.000 -8.339 -12.894) 15.356 7.257 ( 0.000 1.312 -0.279) 1.341 7.388 ( 0.000 -2.388 -1.231) 2.686 7.433 ( 0.000 -4.802 -2.069) 5.229 7.486 ( 0.000 -0.352 2.490) 2.515 7.547 ( 0.000 -2.056 4.213) 4.688 7.573 ( 0.000 2.157 -4.200) 4.721 7.671 ( 0.000 -7.722 -1.751) 7.918 7.752 ( 0.000 0.471 0.550) 0.724 7.850 ( 0.000 -3.115 -4.172) 5.207 7.941 ( 0.000 -4.508 6.957) 8.290 7.988 ( 0.000 -4.515 4.155) 6.136 8.077 ( 0.000 3.752 0.386) 3.772 8.154 ( 0.000 8.626 3.845) 9.444 8.154 ( 0.000 -2.601 -2.669) 3.727 8.246 ( 0.000 8.599 -3.476) 9.275 8.361 ( 0.000 2.769 1.984) 3.407 8.429 ( 0.000 3.888 -2.847) 4.819 8.734 ( 0.000 -6.807 9.327) 11.547 8.786 ( 0.000 -12.490 3.305) 12.920 8.847 ( 0.000 6.231 -0.156) 6.233 8.881 ( 0.000 -10.471 -4.423) 11.367 9.076 ( 0.000 -7.322 4.946) 8.836 9.160 ( 0.000 -4.831 4.538) 6.628 9.209 ( 0.000 -8.121 -4.387) 9.230 9.230 ( 0.000 -14.034 6.237) 15.357 9.253 ( 0.000 -2.624 -2.353) 3.525 9.274 ( 0.000 -1.926 1.631) 2.524 9.495 ( 0.000 1.173 6.048) 6.161 9.597 ( 0.000 2.658 3.638) 4.505 9.662 ( 0.000 5.323 -6.863) 8.685 9.732 ( 0.000 5.106 -4.751) 6.974 9.839 ( 0.000 1.359 4.839) 5.026 9.884 ( 0.000 -0.555 6.336) 6.361 9.943 ( 0.000 2.023 -3.680) 4.199 10.123 ( 0.000 -11.887 -5.278) 13.006 10.196 ( 0.000 1.288 1.930) 2.320 10.205 ( 0.000 -1.224 4.343) 4.512 10.296 ( 0.000 -5.255 -3.098) 6.100 10.379 ( 0.000 -1.173 -6.138) 6.249 10.673 ( 0.000 -3.635 3.451) 5.012 10.778 ( 0.000 -3.208 -4.977) 5.921 10.839 ( 0.000 -11.544 2.510) 11.813 10.864 ( 0.000 -13.583 1.113) 13.629 10.869 ( 0.000 -0.814 1.257) 1.497 10.909 ( 0.000 0.820 -1.763) 1.944 11.179 ( 0.000 -0.202 1.880) 1.891 11.211 ( 0.000 -1.380 -0.653) 1.526 11.261 ( 0.000 2.710 1.297) 3.004 11.327 ( 0.000 8.015 -4.330) 9.110 12.232 ( 0.000 9.479 0.408) 9.488 12.261 ( 0.000 5.488 -1.911) 5.811 12.438 ( 0.000 -1.967 3.182) 3.741 12.526 ( 0.000 -2.104 -3.843) 4.382 12.678 ( 0.000 29.680 11.702) 31.904 12.728 ( 0.000 -2.087 1.619) 2.641 12.763 ( 0.000 -1.573 -1.079) 1.908 13.041 ( 0.000 19.647 -18.682) 27.111 13.632 ( 0.000 10.840 4.402) 11.700 13.798 ( 0.000 4.816 -3.982) 6.249 13.839 ( 0.000 2.821 1.848) 3.372 14.056 ( 0.000 9.184 -9.865) 13.478 14.136 ( 0.000 -3.831 0.992) 3.957 14.170 ( 0.000 -1.458 -1.910) 2.403 14.292 ( 0.000 -8.626 1.220) 8.712 14.310 ( 0.000 -6.787 0.031) 6.787 14.397 ( 0.000 -0.112 1.985) 1.988 14.417 ( 0.000 -7.083 6.868) 9.867 14.433 ( 0.000 0.384 -0.379) 0.540 14.499 ( 0.000 -7.438 0.037) 7.439 14.585 ( 0.000 2.316 -0.236) 2.328 14.600 ( 0.000 0.982 -0.916) 1.343 14.838 ( 0.000 12.404 1.531) 12.498 14.885 ( 0.000 13.587 -2.147) 13.755 15.027 ( 0.000 27.498 3.928) 27.777 15.153 ( 0.000 3.865 -0.069) 3.866 15.299 ( 0.000 24.741 -9.019) 26.333 15.343 ( 0.000 4.544 -6.689) 8.086 15.738 ( 0.000 14.284 8.923) 16.842 16.127 ( 0.000 35.847 -33.291) 48.921 16.448 ( 0.000 -23.412 2.228) 23.518 16.506 ( 0.000 -25.355 -2.374) 25.466 17.555 ( 0.000 2.274 2.117) 3.107 17.627 ( 0.000 4.596 -3.986) 6.083 18.202 ( 0.000 0.107 9.143) 9.143 18.401 ( 0.000 -1.885 -6.967) 7.217 18.573 ( 0.000 1.265 2.806) 3.078 18.604 ( 0.000 -2.415 1.568) 2.879 18.881 ( 0.000 -5.635 4.026) 6.925 19.067 ( 0.000 6.099 -14.414) 15.651 19.583 ( 0.000 -3.617 2.439) 4.362 19.646 ( 0.000 0.768 -3.163) 3.255 20.206 ( 0.000 6.143 2.764) 6.736 20.288 ( 0.000 5.438 -3.379) 6.402 20.808 ( 0.000 -9.877 2.134) 10.104 20.866 ( 0.000 -6.969 -2.466) 7.393 21.428 ( 0.000 -7.673 2.740) 8.148 21.496 ( 0.000 -3.285 -2.745) 4.281 21.619 ( 0.000 -4.844 4.601) 6.681 21.760 ( 0.000 -3.971 -7.257) 8.273 22.098 ( 0.000 1.661 5.088) 5.352 22.181 ( 0.000 3.622 -2.160) 4.218 22.679 ( 0.000 -43.195 24.029) 49.429 22.922 ( 0.000 -32.743 -3.118) 32.891 26.335 ( 0.000 4.588 0.195) 4.592 26.340 ( 0.000 4.328 -0.100) 4.330 26.488 ( 0.000 11.091 0.279) 11.094 26.498 ( 0.000 10.449 -0.471) 10.459 27.751 ( 0.000 -1.529 0.300) 1.558 27.758 ( 0.000 -1.555 -0.282) 1.580 28.021 ( 0.000 20.803 5.004) 21.397 28.268 ( 0.000 25.875 -19.561) 32.437 28.424 ( 0.000 -0.559 1.441) 1.546 28.462 ( 0.000 -0.296 -1.513) 1.542 28.810 ( 0.000 -4.939 1.910) 5.296 28.862 ( 0.000 -5.041 -2.299) 5.540 29.083 ( 0.000 6.781 2.577) 7.254 29.113 ( 0.000 7.698 6.798) 10.270 29.142 ( 0.000 7.117 -2.180) 7.443 29.305 ( 0.000 3.277 -4.243) 5.362 29.425 ( 0.000 19.666 -5.792) 20.501 29.542 ( 0.000 4.184 -5.598) 6.989 30.236 ( 0.000 4.063 0.046) 4.064 30.237 ( 0.000 4.154 -0.056) 4.155 30.587 ( 0.000 -2.313 1.135) 2.576 30.614 ( 0.000 -2.825 -1.020) 3.003 32.438 ( 0.000 -48.469 28.388) 56.170 32.715 ( 0.000 -30.057 -3.218) 30.228 ======================= Grid point 85 (30/48) ======================= q-point: ( 0.17 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 19.177 20.198 27.746) 39.313 1.767 ( 25.302 38.783 16.674) 49.217 2.126 ( 13.212 23.990 -22.825) 35.652 2.259 ( 13.628 26.201 -21.711) 36.655 2.406 ( 39.361 30.194 23.354) 54.830 3.072 ( 5.210 11.433 -7.397) 14.580 3.264 ( 5.923 8.602 -2.143) 10.662 3.352 ( 1.110 6.114 5.381) 8.220 3.485 ( 4.758 16.639 0.406) 17.310 3.565 ( 1.680 21.020 2.450) 21.229 3.659 ( -0.445 24.907 -3.273) 25.125 3.739 ( 8.160 6.622 -12.120) 16.042 3.911 ( 0.761 10.415 4.408) 11.335 4.057 ( 3.550 5.624 -4.018) 7.770 4.311 ( -9.877 1.540 2.001) 10.195 4.360 ( -12.441 1.833 -1.111) 12.624 4.397 ( -15.102 10.664 1.174) 18.525 4.487 ( -12.350 10.944 -4.460) 17.093 4.597 ( -0.710 6.608 5.772) 8.803 4.651 ( -0.540 -2.815 -0.815) 2.979 4.696 ( 0.679 1.838 2.118) 2.885 4.781 ( 3.526 4.233 -0.949) 5.590 4.814 ( 2.179 1.853 -2.051) 3.520 4.887 ( 3.714 4.011 -5.530) 7.776 4.983 ( 6.040 6.161 1.054) 8.692 5.044 ( 6.717 5.056 -2.458) 8.759 5.150 ( 2.147 -0.911 3.936) 4.575 5.213 ( 3.290 2.124 -0.220) 3.922 5.259 ( 3.319 1.373 -1.668) 3.960 5.393 ( -0.693 2.961 -8.504) 9.032 5.477 ( -3.728 2.673 2.060) 5.029 5.485 ( -3.885 4.616 1.990) 6.353 5.508 ( 3.293 1.432 2.596) 4.431 5.621 ( 1.689 4.241 -3.301) 5.633 5.694 ( 1.539 -1.514 6.180) 6.546 5.794 ( 6.511 -0.248 7.839) 10.193 5.832 ( 2.007 -3.367 -3.340) 5.150 5.944 ( -0.129 -2.968 0.659) 3.043 5.961 ( 1.909 -4.507 1.778) 5.208 6.014 ( 4.199 -1.444 -6.496) 7.869 6.273 ( -6.101 2.123 8.138) 10.390 6.317 ( -3.200 -6.219 3.526) 7.832 6.366 ( -0.946 -3.026 4.187) 5.252 6.485 ( -7.049 -3.829 2.817) 8.502 6.533 ( -3.882 -0.304 -2.809) 4.801 6.577 ( -0.110 -1.307 -0.152) 1.321 6.598 ( -3.591 -1.757 -1.705) 4.346 6.727 ( 2.521 2.314 -2.072) 4.000 6.809 ( 4.827 -4.582 5.523) 8.649 6.899 ( -1.991 -1.762 -1.143) 2.894 7.069 ( -6.304 -8.115 -4.716) 11.306 7.125 ( -3.334 -4.178 -7.215) 8.979 7.180 ( -7.596 3.079 3.752) 9.014 7.250 ( -14.252 4.260 0.353) 14.879 7.305 ( -2.003 2.883 -0.275) 3.521 7.379 ( 8.121 -0.014 -4.516) 9.292 7.486 ( -4.214 -5.814 5.354) 8.957 7.585 ( 2.065 2.373 0.813) 3.249 7.622 ( 2.228 -2.711 0.143) 3.512 7.635 ( -4.151 -10.115 -6.953) 12.957 7.764 ( 4.129 -2.782 1.395) 5.170 7.832 ( -1.864 -2.757 -2.260) 4.023 7.916 ( -1.073 -3.384 3.661) 5.100 8.011 ( -3.912 -2.035 -2.910) 5.283 8.050 ( -2.134 -1.079 3.204) 3.997 8.128 ( -1.168 -2.632 2.608) 3.885 8.157 ( -0.339 5.309 0.121) 5.321 8.216 ( 4.154 2.821 -1.374) 5.207 8.394 ( 0.647 8.666 3.601) 9.407 8.457 ( 2.029 5.034 0.065) 5.428 8.624 ( -2.712 -3.250 4.722) 6.341 8.687 ( -12.107 3.936 1.170) 12.785 8.789 ( -11.329 3.197 4.646) 12.655 8.989 ( 7.373 -9.275 -0.033) 11.849 9.028 ( 3.335 -2.176 -8.612) 9.488 9.038 ( -2.945 -7.948 -5.795) 10.268 9.205 ( 2.759 -5.699 3.696) 7.332 9.269 ( 3.186 -4.617 -1.350) 5.770 9.379 ( 2.707 -0.940 4.141) 5.036 9.412 ( 3.053 -12.613 5.425) 14.066 9.471 ( -5.114 6.381 -0.599) 8.199 9.554 ( 0.846 -2.955 1.092) 3.262 9.693 ( -2.781 1.366 -1.573) 3.475 9.750 ( -0.013 0.958 -0.910) 1.321 9.778 ( 0.143 1.911 -3.457) 3.952 9.845 ( -3.976 -0.818 -5.692) 6.991 9.961 ( 0.738 1.657 5.134) 5.445 10.083 ( -0.751 -2.300 -2.383) 3.396 10.149 ( -2.002 1.989 6.720) 7.288 10.295 ( 3.279 -2.659 1.008) 4.340 10.354 ( 5.845 0.144 -2.023) 6.187 10.392 ( 3.224 -3.025 -2.638) 5.148 10.674 ( -0.404 -10.575 1.157) 10.646 10.740 ( -3.727 -7.661 -2.487) 8.875 10.804 ( -1.260 -0.510 0.474) 1.440 10.847 ( -2.937 1.371 -2.068) 3.845 10.915 ( 1.674 -7.258 2.157) 7.755 10.940 ( 3.819 -7.419 0.169) 8.345 11.162 ( -1.683 1.043 1.500) 2.484 11.198 ( -0.889 -3.346 -0.138) 3.465 11.245 ( -1.251 3.025 2.001) 3.837 11.344 ( 0.804 4.279 -5.093) 6.700 11.990 ( -18.425 9.938 2.376) 21.069 12.038 ( -19.822 8.063 -1.477) 21.450 12.489 ( -3.467 13.960 2.090) 14.535 12.534 ( -0.290 18.209 -1.003) 18.239 12.661 ( 13.825 -0.691 0.976) 13.877 12.710 ( 13.090 -0.870 -2.350) 13.328 12.917 ( 4.927 0.591 7.648) 9.117 13.154 ( 1.514 -3.599 -10.642) 11.335 13.557 ( -6.326 6.696 3.820) 9.972 13.671 ( -8.613 2.718 -1.983) 9.247 13.849 ( 2.796 -0.583 -0.615) 2.922 13.962 ( -1.886 -0.887 -7.145) 7.443 14.120 ( -2.532 -4.317 1.690) 5.282 14.149 ( -3.586 -3.639 -0.474) 5.130 14.353 ( 2.235 -3.655 2.649) 5.038 14.404 ( 2.004 -1.921 -1.958) 3.397 14.441 ( 4.990 -4.264 4.759) 8.108 14.496 ( 3.146 -4.163 0.966) 5.307 14.563 ( 1.267 -4.262 -0.340) 4.460 14.590 ( 3.571 -4.263 -1.761) 5.833 14.696 ( 5.030 4.018 1.299) 6.568 14.708 ( 4.589 4.433 0.150) 6.382 14.841 ( 9.031 10.974 3.685) 14.682 14.933 ( 8.191 12.013 -3.437) 14.940 15.194 ( 7.015 3.638 4.123) 8.913 15.304 ( 15.909 0.654 1.109) 15.961 15.358 ( 9.157 11.207 3.139) 14.809 15.524 ( 3.499 10.234 -3.100) 11.251 15.853 ( 13.479 11.564 4.591) 18.343 16.194 ( 6.742 -6.813 -20.005) 22.183 16.483 ( 6.444 -19.469 4.858) 21.075 16.795 ( 35.114 3.933 -33.213) 48.493 17.615 ( 5.967 1.854 1.204) 6.363 17.659 ( 3.722 3.681 -2.707) 5.894 18.122 ( -7.568 0.529 8.530) 11.416 18.329 ( -6.432 -0.622 -8.387) 10.587 18.630 ( 4.540 -3.206 4.195) 6.963 18.652 ( 3.392 -3.980 2.698) 5.884 18.914 ( 2.513 -6.688 4.729) 8.568 19.126 ( 5.447 6.435 -15.449) 17.600 19.542 ( -3.529 -3.257 2.133) 5.255 19.592 ( -4.317 -0.365 -2.138) 4.831 20.125 ( -8.112 5.081 3.903) 10.337 20.219 ( -7.052 4.893 -3.634) 9.321 20.590 ( -24.242 -0.310 3.704) 24.525 20.688 ( -19.056 3.080 -4.290) 19.774 21.418 ( -0.615 -10.196 4.207) 11.047 21.482 ( -0.838 -8.281 -1.615) 8.478 21.593 ( -1.969 -4.982 2.316) 5.837 21.642 ( -7.341 0.047 0.077) 7.341 22.056 ( -1.815 -1.911 6.968) 7.450 22.135 ( 1.333 -3.358 0.281) 3.624 22.564 ( -7.538 -15.763 18.501) 25.447 22.847 ( -6.993 -20.642 -5.986) 22.601 26.395 ( 5.298 4.347 0.789) 6.898 26.415 ( 5.259 3.389 -0.434) 6.271 26.529 ( 2.939 9.754 -0.202) 10.189 26.556 ( 5.397 8.519 -2.778) 10.461 27.750 ( -0.062 -1.281 0.300) 1.317 27.757 ( -0.128 -1.359 -0.224) 1.383 27.931 ( -6.854 14.728 2.168) 16.388 28.013 ( -13.860 17.155 -4.952) 22.604 28.434 ( 1.357 0.113 0.282) 1.391 28.451 ( 4.003 1.532 -1.398) 4.509 28.860 ( 0.452 1.803 2.800) 3.360 28.920 ( -0.893 1.473 -2.238) 2.824 29.004 ( -1.978 4.586 3.051) 5.852 29.069 ( 0.104 5.899 -1.842) 6.181 29.322 ( -5.777 2.887 6.806) 9.382 29.450 ( -4.241 8.402 -2.877) 9.842 29.583 ( 31.969 -2.877 4.366) 32.394 29.855 ( 29.567 3.723 -18.773) 35.221 30.314 ( 6.695 3.107 -0.167) 7.382 30.358 ( 11.220 1.834 -6.424) 13.058 30.602 ( 1.408 -2.172 1.779) 3.141 30.654 ( 5.935 -3.281 -3.210) 7.503 32.189 ( -21.817 -35.352 23.915) 47.934 32.456 ( -25.117 -25.896 -3.888) 36.285 ======================= Grid point 86 (31/48) ======================= q-point: ( 0.33 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 30.731 13.118 14.111) 36.271 2.249 ( 22.647 26.730 -1.352) 35.060 2.474 ( 23.650 19.485 -9.342) 32.036 2.592 ( 20.584 32.134 -11.212) 39.774 2.985 ( -9.037 12.290 5.517) 16.222 3.025 ( -7.874 17.080 1.648) 18.879 3.318 ( -1.710 11.656 7.170) 13.791 3.368 ( 13.034 17.757 11.206) 24.713 3.539 ( -14.982 17.967 -5.184) 23.962 3.643 ( 11.490 2.524 -13.214) 17.692 3.731 ( 16.655 17.858 4.295) 24.794 3.790 ( 5.363 21.641 -0.417) 22.300 4.012 ( -5.722 12.267 3.511) 13.984 4.062 ( -13.904 9.525 0.244) 16.856 4.137 ( -4.327 4.344 1.673) 6.356 4.150 ( 3.120 2.176 -0.970) 3.925 4.300 ( 5.053 2.077 -0.339) 5.473 4.445 ( 14.741 3.996 -12.760) 19.902 4.610 ( 2.303 3.596 7.098) 8.283 4.677 ( 2.199 -3.455 -1.006) 4.217 4.718 ( 1.578 0.926 4.437) 4.799 4.821 ( 0.014 3.290 0.071) 3.291 4.826 ( 0.489 3.958 -2.334) 4.621 4.938 ( 2.090 4.543 -0.842) 5.071 5.049 ( -0.094 2.145 -0.392) 2.183 5.120 ( 5.184 1.365 -2.858) 6.075 5.192 ( 0.001 6.256 5.353) 8.234 5.285 ( -1.443 -3.805 -1.650) 4.391 5.327 ( 2.038 -0.398 -3.315) 3.912 5.384 ( 2.762 5.837 -2.973) 7.109 5.417 ( 0.274 1.705 -1.744) 2.455 5.521 ( 8.651 0.325 -6.202) 10.649 5.577 ( 2.024 4.476 2.560) 5.540 5.668 ( -0.269 9.032 -0.805) 9.072 5.738 ( -0.081 2.215 4.685) 5.183 5.809 ( -0.342 -5.096 1.462) 5.312 5.892 ( 1.315 -3.971 5.508) 6.916 5.928 ( -0.481 -2.266 4.399) 4.972 6.015 ( -0.048 -2.490 -3.282) 4.121 6.076 ( 0.877 -2.489 -4.095) 4.872 6.131 ( -6.756 1.788 6.086) 9.267 6.194 ( -8.201 -0.131 1.752) 8.387 6.230 ( -15.032 1.469 -0.741) 15.122 6.287 ( -5.607 -0.852 -5.231) 7.715 6.506 ( 1.398 -3.499 0.330) 3.782 6.553 ( -1.253 -5.068 -3.146) 6.095 6.643 ( 0.628 -1.602 2.722) 3.221 6.686 ( -7.762 -1.618 4.132) 8.941 6.784 ( -5.265 -3.235 -4.179) 7.460 6.869 ( 0.162 -8.099 -7.347) 10.936 6.936 ( -8.721 -2.117 1.087) 9.040 6.969 ( -5.519 -0.213 -0.986) 5.610 7.089 ( 2.333 0.915 4.917) 5.519 7.150 ( -0.184 -0.130 0.971) 0.996 7.254 ( -3.342 0.480 6.606) 7.419 7.401 ( -2.189 -2.051 -2.036) 3.625 7.520 ( -2.987 0.238 -1.404) 3.309 7.577 ( 8.550 -1.332 -1.556) 8.792 7.627 ( 2.865 -0.389 1.947) 3.485 7.677 ( 0.877 -7.222 -1.263) 7.384 7.781 ( -0.640 -2.590 0.865) 2.804 7.826 ( 1.680 -4.889 -1.951) 5.526 7.934 ( 2.094 -0.819 2.626) 3.457 7.971 ( -0.507 -2.153 -0.760) 2.339 8.007 ( -3.449 -0.141 1.218) 3.660 8.070 ( -2.375 -2.430 -1.880) 3.883 8.133 ( -7.028 2.455 3.103) 8.065 8.223 ( -8.554 0.064 -3.289) 9.165 8.377 ( 1.872 14.429 6.830) 16.073 8.441 ( 1.655 14.739 1.438) 14.901 8.549 ( -0.094 6.624 5.740) 8.765 8.649 ( 0.738 3.720 -0.622) 3.843 8.736 ( 7.924 -3.353 -7.131) 11.175 8.838 ( -9.547 -0.181 -11.426) 14.890 9.045 ( -7.491 -3.870 1.480) 8.560 9.093 ( -3.524 -6.962 -2.784) 8.284 9.288 ( -0.215 -0.651 4.929) 4.977 9.320 ( 1.231 -3.062 4.109) 5.270 9.344 ( 1.602 -3.437 4.009) 5.518 9.390 ( 2.565 -2.539 -3.491) 5.021 9.457 ( 0.450 -3.546 5.108) 6.234 9.516 ( -3.142 -0.704 -2.772) 4.248 9.660 ( -1.862 1.484 1.977) 3.094 9.708 ( -0.800 -1.400 3.918) 4.237 9.785 ( -1.126 1.081 -5.290) 5.515 9.845 ( 2.798 -3.431 -6.417) 7.796 9.929 ( -2.173 0.871 2.005) 3.082 10.013 ( -4.043 0.026 -2.568) 4.790 10.261 ( 8.618 0.066 4.625) 9.781 10.347 ( 2.816 -3.555 -1.021) 4.648 10.470 ( 4.842 0.240 -0.011) 4.847 10.474 ( 2.361 -2.837 -0.898) 3.799 10.626 ( -1.843 -2.836 1.785) 3.824 10.694 ( 0.844 -5.257 -2.541) 5.900 10.763 ( -3.270 -2.392 0.468) 4.078 10.800 ( -2.032 0.338 -2.213) 3.023 10.971 ( 4.072 -4.624 1.423) 6.324 10.999 ( 2.987 -6.058 -0.295) 6.760 11.134 ( -1.621 1.117 0.735) 2.101 11.158 ( -3.501 -3.066 -0.371) 4.669 11.243 ( 1.718 3.094 2.720) 4.464 11.331 ( -1.161 3.998 -3.431) 5.394 11.636 ( -16.983 11.401 0.393) 20.459 11.642 ( -19.056 10.289 0.039) 21.657 12.593 ( 10.419 6.674 3.080) 12.751 12.657 ( 10.555 8.674 -1.398) 13.733 12.882 ( 4.444 -1.847 1.583) 5.066 12.908 ( 4.642 -3.568 -1.214) 5.980 13.003 ( 9.794 -3.576 1.936) 10.604 13.123 ( -1.945 -4.111 -4.206) 6.194 13.402 ( -9.616 -3.295 1.463) 10.269 13.484 ( -11.289 -2.453 -2.891) 11.909 13.933 ( 4.896 -3.725 -0.208) 6.155 13.979 ( 2.801 -4.302 -3.258) 6.080 14.072 ( -2.147 -4.655 1.528) 5.349 14.092 ( -2.123 -4.752 0.559) 5.234 14.397 ( 3.149 -0.981 1.841) 3.777 14.421 ( 1.233 0.276 -0.186) 1.277 14.517 ( 0.453 -1.802 1.632) 2.473 14.560 ( -0.692 1.975 -0.819) 2.247 14.573 ( 2.353 -0.570 1.093) 2.656 14.601 ( 0.490 -0.699 -0.476) 0.977 14.674 ( -2.283 7.683 1.561) 8.166 14.689 ( -2.214 7.778 0.487) 8.101 15.044 ( 8.101 13.849 1.202) 16.089 15.100 ( 6.390 14.455 -3.250) 16.135 15.307 ( -0.638 1.927 1.190) 2.353 15.349 ( -4.245 5.208 -2.179) 7.064 15.564 ( 10.376 -1.752 4.056) 11.277 15.642 ( 14.629 -4.952 -1.970) 15.569 16.048 ( -0.868 -13.196 5.385) 14.278 16.181 ( -7.567 -18.431 -4.820) 20.498 16.962 ( 41.371 -4.493 15.976) 44.575 17.577 ( 34.589 -7.351 -35.706) 50.253 17.768 ( 10.665 -0.938 1.165) 10.769 17.798 ( 11.103 -1.838 -1.211) 11.319 17.945 ( -8.866 0.393 7.736) 11.773 18.179 ( -8.651 0.737 -10.565) 13.675 18.616 ( -10.343 -18.860 3.524) 21.797 18.652 ( -7.163 -7.480 -0.463) 10.367 18.980 ( 6.745 -1.220 9.592) 11.790 19.235 ( 5.620 4.514 -11.349) 13.445 19.482 ( -3.332 -3.024 2.878) 5.341 19.541 ( -2.112 -5.707 -1.626) 6.299 19.901 ( -14.501 7.809 7.225) 17.985 20.017 ( -12.351 12.738 -4.599) 18.329 20.097 ( -16.975 10.550 3.110) 20.227 20.263 ( -19.910 19.998 -8.148) 29.372 21.441 ( 2.891 -10.956 4.964) 12.371 21.492 ( 1.273 -9.707 -0.019) 9.790 21.563 ( -1.106 -5.460 -0.012) 5.571 21.577 ( -1.346 -1.506 -0.907) 2.214 22.097 ( 5.563 -2.567 8.931) 10.830 22.243 ( 8.515 -4.212 -2.169) 9.744 22.420 ( -7.630 -2.729 11.336) 13.935 22.677 ( -10.399 -8.130 -7.872) 15.369 26.497 ( 4.521 5.243 1.359) 7.055 26.512 ( 4.579 5.048 1.163) 6.914 26.585 ( 2.609 7.827 -1.145) 8.330 26.633 ( 1.999 6.786 -4.455) 8.360 27.751 ( 0.338 -0.313 0.367) 0.589 27.757 ( 0.263 -0.447 -0.022) 0.519 27.824 ( -3.946 6.697 0.413) 7.784 27.841 ( -5.243 7.505 -0.937) 9.203 28.522 ( 6.994 1.330 1.472) 7.270 28.561 ( 7.046 1.921 -1.641) 7.486 28.816 ( -5.060 2.728 1.141) 5.861 28.833 ( -6.423 3.425 -0.006) 7.279 29.006 ( 1.908 3.830 4.101) 5.927 29.105 ( 3.199 5.732 -3.340) 7.365 29.192 ( -6.964 3.941 6.034) 10.022 29.312 ( -7.383 5.942 -3.696) 10.173 30.221 ( 15.289 -0.129 0.226) 15.291 30.250 ( 25.616 -2.863 -1.714) 25.832 30.434 ( 4.026 -0.220 1.010) 4.156 30.490 ( 1.602 1.337 -2.862) 3.542 30.677 ( 10.342 -4.270 7.639) 13.548 30.927 ( 19.966 -9.286 -15.130) 26.716 31.740 ( -23.278 -21.120 9.624) 32.872 31.853 ( -35.431 -18.545 -1.554) 40.021 ======================= Grid point 87 (32/48) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -22.099 7.997 7.617) 24.705 2.511 ( 22.099 7.997 7.617) 24.705 2.672 ( -16.517 16.984 -4.599) 24.133 2.672 ( 16.517 16.984 -4.599) 24.133 2.978 ( -7.825 25.589 3.269) 26.958 2.978 ( 7.825 25.589 3.269) 26.958 3.113 ( -14.227 25.944 -6.634) 30.324 3.113 ( 14.227 25.944 -6.634) 30.324 3.714 ( -10.973 13.773 4.625) 18.207 3.714 ( 10.973 13.773 4.625) 18.207 3.841 ( -4.649 17.297 -4.871) 18.562 3.841 ( 4.649 17.297 -4.871) 18.562 4.018 ( -10.124 1.717 0.583) 10.286 4.018 ( 10.124 1.717 0.583) 10.286 4.073 ( -9.016 3.006 -3.695) 10.198 4.073 ( 9.016 3.006 -3.695) 10.198 4.583 ( -7.168 0.885 4.888) 8.722 4.583 ( 7.168 0.885 4.888) 8.722 4.686 ( -3.143 -0.503 -3.916) 5.046 4.686 ( 3.143 -0.503 -3.916) 5.046 4.790 ( -7.395 0.377 6.085) 9.584 4.790 ( 7.395 0.377 6.085) 9.584 4.883 ( -8.440 4.959 -2.097) 10.011 4.883 ( 8.440 4.959 -2.097) 10.011 5.090 ( -7.981 1.869 4.768) 9.483 5.090 ( 7.981 1.869 4.768) 9.483 5.241 ( -4.940 0.546 -5.990) 7.783 5.241 ( 4.940 0.546 -5.990) 7.783 5.343 ( -6.867 7.163 5.468) 11.329 5.343 ( 6.867 7.163 5.468) 11.329 5.550 ( -10.909 10.399 -8.192) 17.154 5.550 ( 10.909 10.399 -8.192) 17.154 5.623 ( -6.449 1.927 3.994) 7.826 5.623 ( 6.449 1.927 3.994) 7.826 5.754 ( -12.626 -3.925 -4.858) 14.086 5.754 ( 12.626 -3.925 -4.858) 14.086 5.895 ( -2.457 -4.085 5.840) 7.539 5.895 ( 2.457 -4.085 5.840) 7.539 5.997 ( -4.268 -2.107 -1.222) 4.914 5.997 ( 4.268 -2.107 -1.222) 4.914 6.089 ( -3.450 2.580 2.077) 4.782 6.089 ( 3.450 2.580 2.077) 4.782 6.191 ( -5.930 -1.051 -5.535) 8.179 6.191 ( 5.930 -1.051 -5.535) 8.179 6.521 ( -1.712 -3.401 2.255) 4.425 6.521 ( 1.712 -3.401 2.255) 4.425 6.591 ( -1.526 -1.228 -3.144) 3.705 6.591 ( 1.526 -1.228 -3.144) 3.705 6.802 ( -4.695 -6.577 3.347) 8.746 6.802 ( 4.695 -6.577 3.347) 8.746 6.898 ( -1.529 -5.655 -4.047) 7.120 6.898 ( 1.529 -5.655 -4.047) 7.120 7.169 ( -4.875 2.863 5.195) 7.678 7.169 ( 4.875 2.863 5.195) 7.678 7.267 ( -9.805 -1.884 -2.970) 10.417 7.267 ( 9.805 -1.884 -2.970) 10.417 7.575 ( -6.478 -2.691 5.225) 8.747 7.575 ( 6.478 -2.691 5.225) 8.747 7.709 ( -2.934 -0.272 -5.191) 5.969 7.709 ( 2.934 -0.272 -5.191) 5.969 7.839 ( -9.258 -0.992 4.390) 10.294 7.839 ( 9.258 -0.992 4.390) 10.294 7.921 ( -8.585 -3.721 -2.374) 9.653 7.921 ( 8.585 -3.721 -2.374) 9.653 7.976 ( -1.952 1.986 3.852) 4.753 7.976 ( 1.952 1.986 3.852) 4.753 8.089 ( -3.594 -1.870 -3.994) 5.689 8.089 ( 3.594 -1.870 -3.994) 5.689 8.493 ( -0.651 14.968 2.418) 15.176 8.493 ( 0.651 14.968 2.418) 15.176 8.569 ( -9.395 12.159 -1.653) 15.454 8.569 ( 9.395 12.159 -1.653) 15.454 8.820 ( -11.542 -2.462 1.642) 11.915 8.820 ( 11.542 -2.462 1.642) 11.915 8.953 ( -9.424 -6.353 -7.027) 13.362 8.953 ( 9.424 -6.353 -7.027) 13.362 9.290 ( -2.942 -1.847 5.531) 6.531 9.290 ( 2.942 -1.847 5.531) 6.531 9.387 ( -4.470 -4.229 -0.569) 6.180 9.387 ( 4.470 -4.229 -0.569) 6.180 9.509 ( -4.482 -3.360 6.315) 8.441 9.509 ( 4.482 -3.360 6.315) 8.441 9.651 ( -4.239 3.000 -3.540) 6.285 9.651 ( 4.239 3.000 -3.540) 6.285 9.844 ( -5.589 -0.268 1.132) 5.709 9.844 ( 5.589 -0.268 1.132) 5.709 9.930 ( -4.435 -2.592 -5.024) 7.185 9.930 ( 4.435 -2.592 -5.024) 7.185 10.379 ( -1.602 -3.352 3.488) 5.096 10.379 ( 1.602 -3.352 3.488) 5.096 10.477 ( -0.966 -2.164 -4.153) 4.782 10.477 ( 0.966 -2.164 -4.153) 4.782 10.686 ( -4.737 -2.840 2.818) 6.201 10.686 ( 4.737 -2.840 2.818) 6.201 10.752 ( -3.053 -1.180 -2.585) 4.171 10.752 ( 3.053 -1.180 -2.585) 4.171 11.063 ( -4.925 -2.625 0.781) 5.635 11.063 ( 4.925 -2.625 0.781) 5.635 11.076 ( -4.150 -2.375 -0.021) 4.782 11.076 ( 4.150 -2.375 -0.021) 4.782 11.348 ( -10.072 6.661 1.607) 12.181 11.348 ( 10.072 6.661 1.607) 12.181 11.388 ( -8.121 9.218 -1.569) 12.385 11.388 ( 8.121 9.218 -1.569) 12.385 12.787 ( -7.747 1.361 3.902) 8.780 12.787 ( 7.747 1.361 3.902) 8.780 12.871 ( -8.269 2.702 -2.361) 9.014 12.871 ( 8.269 2.702 -2.361) 9.014 13.205 ( -9.960 -7.453 0.001) 12.439 13.205 ( 9.960 -7.453 0.001) 12.439 13.250 ( -12.172 -4.858 -2.724) 13.386 13.250 ( 12.172 -4.858 -2.724) 13.386 14.009 ( -2.440 -6.507 1.458) 7.101 14.009 ( 2.440 -6.507 1.458) 7.101 14.052 ( -1.983 -4.780 -1.184) 5.308 14.052 ( 1.983 -4.780 -1.184) 5.308 14.462 ( -1.058 1.826 1.786) 2.764 14.462 ( 1.058 1.826 1.786) 2.764 14.489 ( -1.784 2.352 0.193) 2.959 14.489 ( 1.784 2.352 0.193) 2.959 14.620 ( -0.956 2.406 1.547) 3.016 14.620 ( 0.956 2.406 1.547) 3.016 14.655 ( -1.155 4.538 -1.055) 4.800 14.655 ( 1.155 4.538 -1.055) 4.800 15.189 ( -7.759 11.792 0.380) 14.120 15.189 ( 7.759 11.792 0.380) 14.120 15.221 ( -7.142 11.183 -2.311) 13.469 15.221 ( 7.142 11.183 -2.311) 13.469 15.857 ( -13.563 -12.608 4.477) 19.052 15.857 ( 13.563 -12.608 4.477) 19.052 15.958 ( -13.498 -12.981 -3.625) 19.075 15.958 ( 13.498 -12.981 -3.625) 19.075 17.625 ( -21.977 -2.905 11.162) 24.820 17.625 ( 21.977 -2.905 11.162) 24.820 17.917 ( -7.121 -3.015 -10.802) 13.284 17.917 ( 7.121 -3.015 -10.802) 13.284 18.165 ( -9.381 -10.246 4.827) 14.707 18.165 ( 9.381 -10.246 4.827) 14.707 18.355 ( -12.300 -15.483 -13.710) 24.062 18.355 ( 12.300 -15.483 -13.710) 24.062 19.197 ( -14.088 2.396 14.648) 20.464 19.197 ( 14.088 2.396 14.648) 20.464 19.434 ( -6.858 -2.684 -5.408) 9.137 19.434 ( 6.858 -2.684 -5.408) 9.137 19.864 ( -8.348 10.573 1.675) 13.575 19.864 ( 8.348 10.573 1.675) 13.575 19.989 ( -8.425 21.083 -8.870) 24.375 19.989 ( 8.425 21.083 -8.870) 24.375 21.493 ( -1.764 -7.064 3.215) 7.959 21.493 ( 1.764 -7.064 3.215) 7.959 21.557 ( -0.678 -6.873 -2.174) 7.240 21.557 ( 0.678 -6.873 -2.174) 7.240 22.239 ( -8.318 -1.727 11.021) 13.915 22.239 ( 8.318 -1.727 11.021) 13.915 22.463 ( -11.224 -3.627 -7.154) 13.795 22.463 ( 11.224 -3.627 -7.154) 13.795 26.552 ( -0.806 6.304 2.405) 6.795 26.552 ( 0.806 6.304 2.405) 6.795 26.631 ( -1.904 6.132 -3.914) 7.520 26.631 ( 1.904 6.132 -3.914) 7.520 27.765 ( -0.482 1.478 0.796) 1.747 27.765 ( 0.482 1.478 0.796) 1.747 27.783 ( -0.626 2.673 -0.699) 2.833 27.783 ( 0.626 2.673 -0.699) 2.833 28.675 ( -7.912 1.846 1.322) 8.231 28.675 ( 7.912 1.846 1.322) 8.231 28.705 ( -6.850 2.582 -0.967) 7.384 28.705 ( 6.850 2.582 -0.967) 7.384 29.074 ( -5.063 4.221 5.456) 8.557 29.074 ( 5.063 4.221 5.456) 8.557 29.188 ( -5.447 5.967 -3.580) 8.837 29.188 ( 5.447 5.967 -3.580) 8.837 30.399 ( -6.228 0.555 3.203) 7.025 30.399 ( 6.228 0.555 3.203) 7.025 30.493 ( -2.726 0.236 -4.360) 5.147 30.493 ( 2.726 0.236 -4.360) 5.147 31.165 ( -34.779 -12.456 6.094) 37.442 31.165 ( 34.779 -12.456 6.094) 37.442 31.319 ( -20.838 -14.297 -6.225) 26.026 31.319 ( 20.838 -14.297 -6.225) 26.026 ======================= Grid point 91 (33/48) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.000 28.478 33.241) 43.772 1.954 ( 0.000 34.707 20.348) 40.232 2.496 ( 0.000 21.508 -24.327) 32.472 2.623 ( 0.000 26.335 -28.696) 38.948 3.068 ( 0.000 59.366 15.699) 61.407 3.207 ( 0.000 -2.127 12.413) 12.594 3.467 ( 0.000 0.004 -6.333) 6.333 3.563 ( 0.000 35.854 -10.736) 37.427 3.672 ( 0.000 24.431 -5.047) 24.947 3.846 ( 0.000 13.963 -6.767) 15.516 3.925 ( 0.000 3.236 6.479) 7.242 4.078 ( 0.000 2.050 -2.890) 3.543 4.114 ( 0.000 18.344 2.859) 18.565 4.175 ( 0.000 14.744 -1.841) 14.858 4.382 ( 0.000 -2.299 7.068) 7.432 4.539 ( 0.000 -2.591 -0.087) 2.592 4.549 ( 0.000 -3.045 1.897) 3.588 4.553 ( 0.000 -4.632 -1.424) 4.846 4.640 ( 0.000 -2.362 -8.674) 8.990 4.677 ( 0.000 1.333 -9.444) 9.538 4.831 ( 0.000 0.417 4.713) 4.732 4.831 ( 0.000 5.734 6.411) 8.601 4.967 ( 0.000 4.175 -5.381) 6.811 4.976 ( 0.000 3.135 -7.188) 7.842 5.141 ( 0.000 6.817 4.819) 8.348 5.265 ( 0.000 -7.586 9.435) 12.106 5.281 ( 0.000 15.427 7.690) 17.238 5.302 ( 0.000 5.428 -3.101) 6.251 5.374 ( 0.000 18.784 -1.558) 18.848 5.447 ( 0.000 19.833 -3.095) 20.073 5.486 ( 0.000 -7.427 -8.186) 11.053 5.548 ( 0.000 7.430 -10.147) 12.577 5.636 ( 0.000 -1.966 10.996) 11.171 5.697 ( 0.000 14.649 -0.378) 14.654 5.761 ( 0.000 12.406 -4.407) 13.166 5.795 ( 0.000 -7.129 -1.165) 7.224 5.847 ( 0.000 20.875 11.183) 23.682 5.865 ( 0.000 -1.968 2.853) 3.466 5.943 ( 0.000 13.942 2.710) 14.203 5.982 ( 0.000 -0.816 -4.879) 4.947 6.241 ( 0.000 1.046 6.356) 6.441 6.306 ( 0.000 6.227 1.201) 6.342 6.421 ( 0.000 -7.159 0.157) 7.161 6.443 ( 0.000 -7.425 -1.006) 7.493 6.470 ( 0.000 -6.625 5.346) 8.513 6.582 ( 0.000 10.144 8.598) 13.298 6.625 ( 0.000 -1.785 4.052) 4.428 6.678 ( 0.000 -4.187 -0.426) 4.208 6.743 ( 0.000 -2.654 -3.826) 4.657 6.938 ( 0.000 10.705 7.178) 12.889 7.072 ( 0.000 1.237 -18.923) 18.964 7.142 ( 0.000 -7.799 2.564) 8.210 7.147 ( 0.000 7.073 -8.212) 10.838 7.187 ( 0.000 -10.985 1.206) 11.051 7.233 ( 0.000 -4.404 -1.218) 4.570 7.336 ( 0.000 -5.613 -6.673) 8.720 7.549 ( 0.000 -5.409 1.594) 5.639 7.552 ( 0.000 5.653 3.327) 6.560 7.601 ( 0.000 0.776 -2.491) 2.609 7.619 ( 0.000 1.262 -2.400) 2.711 7.770 ( 0.000 -1.824 2.018) 2.720 7.836 ( 0.000 4.506 -3.389) 5.638 7.843 ( 0.000 -3.445 1.892) 3.930 7.904 ( 0.000 -4.345 -2.596) 5.061 8.118 ( 0.000 0.664 7.248) 7.279 8.203 ( 0.000 7.110 4.286) 8.302 8.246 ( 0.000 -1.054 6.027) 6.118 8.375 ( 0.000 2.476 -4.618) 5.240 8.425 ( 0.000 3.893 -3.103) 4.978 8.464 ( 0.000 -2.413 -0.354) 2.439 8.567 ( 0.000 -5.416 4.458) 7.015 8.607 ( 0.000 -3.491 6.169) 7.089 8.663 ( 0.000 -10.617 -2.574) 10.925 8.846 ( 0.000 -8.701 -9.019) 12.532 8.909 ( 0.000 -9.025 1.137) 9.096 9.010 ( 0.000 -10.837 -4.108) 11.589 9.058 ( 0.000 -6.420 3.738) 7.429 9.068 ( 0.000 -1.326 9.308) 9.402 9.166 ( 0.000 -7.491 -0.519) 7.509 9.179 ( 0.000 -4.907 -4.801) 6.865 9.522 ( 0.000 1.342 10.847) 10.930 9.633 ( 0.000 -0.344 6.494) 6.503 9.722 ( 0.000 -0.585 -4.740) 4.776 9.825 ( 0.000 2.542 -2.702) 3.710 9.880 ( 0.000 3.767 1.682) 4.125 9.911 ( 0.000 0.894 -0.266) 0.932 9.972 ( 0.000 0.203 -4.957) 4.961 9.987 ( 0.000 -1.338 -10.886) 10.968 10.168 ( 0.000 -4.106 2.004) 4.569 10.192 ( 0.000 -3.688 0.644) 3.744 10.292 ( 0.000 7.048 5.662) 9.040 10.452 ( 0.000 7.204 -5.886) 9.303 10.585 ( 0.000 -5.465 2.510) 6.014 10.656 ( 0.000 -8.751 -2.469) 9.092 10.711 ( 0.000 -1.534 3.348) 3.683 10.743 ( 0.000 0.525 0.126) 0.540 10.826 ( 0.000 -4.055 1.517) 4.330 10.892 ( 0.000 -3.717 -4.081) 5.520 11.170 ( 0.000 -2.601 1.186) 2.859 11.183 ( 0.000 0.146 -0.004) 0.146 11.330 ( 0.000 5.354 4.242) 6.831 11.443 ( 0.000 5.485 -4.445) 7.059 12.322 ( 0.000 3.469 0.360) 3.487 12.344 ( 0.000 3.868 -0.954) 3.984 12.396 ( 0.000 -2.420 3.335) 4.120 12.479 ( 0.000 -2.763 -3.291) 4.297 12.674 ( 0.000 -3.222 1.231) 3.449 12.710 ( 0.000 -3.715 -1.598) 4.044 13.108 ( 0.000 8.859 3.554) 9.545 13.189 ( 0.000 -0.965 -3.116) 3.263 13.747 ( 0.000 2.351 0.007) 2.351 13.834 ( 0.000 0.464 -7.343) 7.357 14.018 ( 0.000 15.593 9.400) 18.208 14.035 ( 0.000 -6.835 1.488) 6.995 14.070 ( 0.000 -8.596 -1.248) 8.686 14.116 ( 0.000 -8.412 2.013) 8.649 14.179 ( 0.000 -5.847 -3.548) 6.840 14.233 ( 0.000 4.666 -7.533) 8.861 14.289 ( 0.000 -3.370 7.545) 8.263 14.395 ( 0.000 1.657 -2.004) 2.601 14.405 ( 0.000 -1.321 4.222) 4.424 14.468 ( 0.000 1.368 -1.117) 1.766 14.645 ( 0.000 4.659 1.263) 4.827 14.692 ( 0.000 7.391 -2.202) 7.712 15.094 ( 0.000 13.794 2.253) 13.977 15.146 ( 0.000 0.943 5.286) 5.369 15.156 ( 0.000 14.350 -2.654) 14.593 15.270 ( 0.000 1.441 -4.511) 4.736 15.696 ( 0.000 25.813 2.691) 25.953 15.764 ( 0.000 16.765 -2.200) 16.909 15.882 ( 0.000 -32.452 1.061) 32.469 15.908 ( 0.000 -33.744 -1.052) 33.760 16.125 ( 0.000 27.333 14.048) 30.731 16.661 ( 0.000 17.905 -30.521) 35.385 17.607 ( 0.000 2.693 3.075) 4.088 17.703 ( 0.000 2.980 -4.925) 5.756 18.175 ( 0.000 -3.579 7.496) 8.307 18.335 ( 0.000 -5.287 -5.560) 7.672 18.347 ( 0.000 -16.728 9.792) 19.384 18.528 ( 0.000 -14.081 -6.010) 15.310 18.908 ( 0.000 10.688 10.585) 15.042 19.241 ( 0.000 11.545 -17.333) 20.826 19.472 ( 0.000 -6.687 3.416) 7.509 19.572 ( 0.000 -7.992 -4.963) 9.408 20.444 ( 0.000 17.131 -1.463) 17.193 20.498 ( 0.000 16.241 -4.240) 16.785 20.528 ( 0.000 -18.828 4.204) 19.292 20.659 ( 0.000 -14.978 -6.772) 16.438 21.176 ( 0.000 -15.187 10.102) 18.240 21.400 ( 0.000 -7.208 -7.873) 10.674 21.577 ( 0.000 -1.611 3.212) 3.593 21.698 ( 0.000 -2.857 -6.777) 7.355 22.103 ( 0.000 -1.391 7.244) 7.376 22.136 ( 0.000 -15.809 16.460) 22.822 22.225 ( 0.000 0.595 -3.349) 3.401 22.368 ( 0.000 -21.774 -4.778) 22.292 26.469 ( 0.000 8.886 0.150) 8.887 26.472 ( 0.000 8.957 -0.089) 8.958 26.742 ( 0.000 14.602 0.039) 14.602 26.746 ( 0.000 15.002 -0.213) 15.003 27.678 ( 0.000 -6.449 0.304) 6.456 27.684 ( 0.000 -6.542 -0.168) 6.545 28.297 ( 0.000 6.452 5.315) 8.359 28.390 ( 0.000 -3.505 0.988) 3.642 28.442 ( 0.000 -1.758 -1.604) 2.380 28.521 ( 0.000 4.365 -12.273) 13.026 28.722 ( 0.000 -4.202 1.835) 4.585 28.771 ( 0.000 -4.358 -2.063) 4.822 29.217 ( 0.000 6.918 2.713) 7.431 29.247 ( 0.000 3.832 10.082) 10.785 29.282 ( 0.000 7.274 -2.412) 7.664 29.319 ( 0.000 5.300 2.583) 5.896 29.752 ( 0.000 17.899 -1.271) 17.944 29.915 ( 0.000 23.289 -18.626) 29.822 30.330 ( 0.000 4.855 0.102) 4.856 30.332 ( 0.000 4.828 -0.109) 4.829 30.549 ( 0.000 -0.744 0.682) 1.009 30.565 ( 0.000 -1.199 -0.625) 1.352 31.640 ( 0.000 -34.516 27.108) 43.888 32.031 ( 0.000 -38.402 -8.663) 39.367 ======================= Grid point 92 (34/48) ======================= q-point: ( 0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 12.403 29.364 23.529) 39.620 2.346 ( 25.721 26.958 14.142) 39.854 2.542 ( 10.133 23.009 -20.706) 32.570 2.839 ( 17.172 24.656 -18.701) 35.391 3.166 ( 9.447 24.515 11.201) 28.560 3.349 ( 12.124 25.168 12.315) 30.530 3.465 ( 2.076 17.368 -6.177) 18.550 3.540 ( -3.821 11.447 1.459) 12.156 3.757 ( -3.338 9.204 -2.621) 10.136 3.847 ( 15.161 18.927 -15.993) 29.049 3.966 ( 0.409 15.324 2.972) 15.615 4.067 ( -2.445 12.685 -2.528) 13.163 4.132 ( 2.929 6.955 4.373) 8.722 4.198 ( 2.848 9.430 0.096) 9.851 4.338 ( -5.478 1.007 1.807) 5.855 4.401 ( -6.325 1.318 -2.143) 6.807 4.505 ( -1.386 -3.810 3.414) 5.300 4.561 ( -8.645 4.959 3.542) 10.577 4.639 ( -3.183 5.014 -3.092) 6.695 4.668 ( -0.442 0.096 -5.978) 5.995 4.790 ( 5.661 -0.467 0.949) 5.759 4.849 ( -3.225 3.121 -3.647) 5.783 4.951 ( 3.286 5.512 -0.440) 6.432 5.040 ( 1.858 1.383 -3.756) 4.412 5.089 ( -3.825 0.248 3.529) 5.210 5.206 ( 0.368 3.482 2.308) 4.193 5.233 ( -2.183 4.660 0.876) 5.220 5.305 ( -2.809 13.303 2.640) 13.850 5.415 ( 1.373 14.838 -5.383) 15.844 5.454 ( 1.847 1.057 -4.733) 5.189 5.515 ( 5.200 11.893 1.177) 13.033 5.598 ( -1.798 -1.983 3.189) 4.164 5.690 ( 1.914 6.360 -4.341) 7.935 5.711 ( 0.520 9.938 -0.189) 9.954 5.731 ( 1.212 11.018 3.689) 11.682 5.814 ( 2.593 4.849 2.081) 5.879 5.849 ( 3.140 -4.332 1.658) 5.601 5.897 ( -1.110 11.429 0.874) 11.516 5.932 ( 1.658 6.601 5.867) 8.986 6.067 ( 8.115 4.726 -1.633) 9.532 6.206 ( -3.635 -0.086 0.726) 3.708 6.232 ( -5.458 0.542 -1.608) 5.716 6.398 ( -3.861 -2.936 4.978) 6.950 6.416 ( -6.279 -0.469 4.643) 7.823 6.476 ( 1.678 -3.248 0.705) 3.723 6.540 ( -3.609 -2.606 -3.384) 5.592 6.584 ( -1.883 1.750 0.551) 2.629 6.711 ( 3.911 -1.632 -3.107) 5.255 6.809 ( 1.446 -0.216 4.615) 4.841 6.890 ( -3.392 7.707 5.792) 10.220 6.940 ( -9.420 -4.517 -2.129) 10.662 7.097 ( -1.485 5.454 -10.472) 11.900 7.174 ( -2.290 -2.565 1.797) 3.880 7.258 ( -2.436 -3.588 -3.377) 5.496 7.290 ( 4.443 -7.068 -1.608) 8.502 7.326 ( -2.209 -1.400 -0.934) 2.777 7.428 ( -1.788 -3.556 0.319) 3.993 7.495 ( -1.022 3.011 -3.741) 4.910 7.617 ( -1.528 0.760 4.138) 4.476 7.677 ( 0.100 0.628 -0.957) 1.149 7.774 ( -0.218 0.357 0.861) 0.958 7.822 ( 3.595 -0.581 -2.876) 4.640 7.850 ( -3.880 1.646 3.536) 5.502 7.929 ( -0.003 -1.757 -1.623) 2.392 8.028 ( -3.235 0.087 5.230) 6.150 8.102 ( -7.214 0.375 1.472) 7.373 8.255 ( 0.668 4.052 -3.498) 5.394 8.261 ( 1.527 1.045 -6.457) 6.717 8.508 ( -0.262 -3.547 1.013) 3.698 8.524 ( 4.388 2.201 -0.921) 4.995 8.552 ( 1.872 -0.602 7.626) 7.876 8.683 ( -1.503 -7.467 1.975) 7.869 8.764 ( 1.626 -6.341 0.434) 6.560 8.791 ( -0.560 -6.750 1.882) 7.030 8.921 ( -0.999 -3.555 -3.590) 5.150 8.992 ( 4.784 -1.208 -7.513) 8.989 9.048 ( 1.008 -9.310 3.384) 9.957 9.117 ( 2.558 -6.668 2.668) 7.624 9.176 ( 7.182 -8.967 5.182) 12.603 9.331 ( 8.692 -7.355 -4.079) 12.095 9.516 ( -5.932 1.168 6.053) 8.556 9.571 ( -4.357 2.540 2.208) 5.505 9.665 ( -6.204 -2.739 1.058) 6.864 9.774 ( -2.077 -2.009 1.375) 3.200 9.812 ( -0.194 0.616 -0.063) 0.649 9.856 ( -5.692 1.504 -10.199) 11.776 9.992 ( -1.824 -0.603 0.421) 1.967 10.076 ( 6.268 0.767 -4.008) 7.479 10.192 ( 1.479 0.198 5.026) 5.243 10.256 ( 4.382 -2.587 -0.712) 5.138 10.307 ( 3.101 1.855 3.472) 5.011 10.419 ( -2.648 3.225 -4.978) 6.495 10.541 ( -2.514 -2.692 3.120) 4.827 10.647 ( -0.990 -3.459 -4.441) 5.716 10.760 ( 4.073 -3.446 2.710) 5.984 10.784 ( 3.220 -3.570 0.390) 4.824 10.834 ( -0.203 -4.270 0.356) 4.290 10.873 ( -1.912 -1.044 -3.029) 3.731 11.129 ( -3.448 -4.212 1.755) 5.719 11.157 ( -1.806 -2.274 -0.905) 3.042 11.328 ( 0.148 7.052 4.471) 8.351 11.449 ( 0.655 7.206 -4.904) 8.741 12.131 ( -12.160 5.845 1.797) 13.611 12.167 ( -12.979 6.391 -1.124) 14.511 12.556 ( 6.196 -2.555 -0.381) 6.713 12.578 ( 5.438 -3.150 -1.545) 6.472 12.720 ( 5.960 -1.568 1.496) 6.342 12.751 ( 3.975 -1.400 -0.422) 4.236 13.030 ( -6.029 7.497 2.233) 9.876 13.096 ( -5.764 -2.840 -3.252) 7.201 13.673 ( -11.611 4.238 2.196) 12.554 13.698 ( -14.112 1.150 2.652) 14.405 13.857 ( -1.185 0.863 -2.911) 3.259 13.911 ( -6.488 -3.565 -4.214) 8.518 14.021 ( -2.159 -5.273 1.139) 5.811 14.049 ( -2.544 -4.913 -0.974) 5.617 14.281 ( 3.203 -4.694 4.547) 7.278 14.329 ( 2.905 -6.550 -0.510) 7.184 14.398 ( 7.171 -2.523 2.897) 8.135 14.476 ( 3.729 -3.473 -2.851) 5.839 14.513 ( 8.346 4.874 0.659) 9.687 14.554 ( 6.351 2.864 -2.654) 7.455 14.813 ( 13.239 5.895 0.646) 14.506 14.827 ( 11.930 8.256 -0.401) 14.514 15.048 ( -2.917 -0.469 4.357) 5.264 15.087 ( 0.802 8.154 1.357) 8.305 15.278 ( 4.886 10.360 -1.350) 11.534 15.298 ( 4.325 7.088 -2.149) 8.577 15.721 ( -7.081 -3.763 2.286) 8.338 15.744 ( 3.380 19.298 2.484) 19.748 15.788 ( -8.955 -25.474 -1.200) 27.029 15.845 ( 1.340 -9.522 -3.774) 10.330 16.387 ( 23.826 17.002 15.134) 32.952 16.899 ( 21.411 4.756 -26.888) 34.699 17.655 ( 4.747 1.952 1.785) 5.434 17.725 ( 2.335 2.568 -4.552) 5.724 18.092 ( -7.922 -4.543 7.337) 11.714 18.248 ( -6.087 -10.395 -2.900) 12.390 18.383 ( 0.132 -12.027 5.531) 13.239 18.526 ( -1.686 -14.948 -5.048) 15.867 18.950 ( 4.229 10.417 10.892) 15.654 19.263 ( 1.503 8.344 -14.923) 17.164 19.441 ( -2.315 -5.684 2.469) 6.615 19.512 ( -4.836 -6.896 -3.174) 9.001 20.318 ( -10.366 12.393 1.464) 16.223 20.406 ( -6.989 10.088 -4.139) 12.952 20.542 ( -4.177 -3.957 5.407) 7.896 20.706 ( 1.601 -0.258 -10.053) 10.183 21.123 ( -2.302 -16.633 6.739) 18.094 21.307 ( -8.749 -7.726 -7.985) 14.142 21.534 ( -2.956 -3.527 3.417) 5.732 21.643 ( -4.202 -2.112 -5.340) 7.116 22.006 ( -3.665 -2.671 9.981) 10.963 22.040 ( -0.189 -5.775 4.787) 7.503 22.331 ( 2.882 -8.505 5.214) 10.384 22.478 ( 5.044 -15.750 -4.730) 17.201 26.522 ( 4.987 8.364 0.253) 9.741 26.529 ( 5.131 8.040 -0.198) 9.540 26.756 ( 1.150 13.332 0.206) 13.383 26.774 ( 2.301 13.317 -1.177) 13.566 27.684 ( 0.725 -5.900 0.303) 5.952 27.689 ( 0.573 -6.045 -0.005) 6.072 28.123 ( -12.932 3.464 1.547) 13.477 28.172 ( -15.575 0.127 -2.334) 15.749 28.451 ( 3.658 1.924 1.329) 4.342 28.505 ( 3.558 3.478 -3.320) 5.982 28.890 ( 5.775 0.314 0.060) 5.784 28.933 ( 6.291 -0.496 -2.685) 6.858 29.140 ( -3.565 8.428 5.007) 10.431 29.226 ( -0.238 9.501 -1.728) 9.659 29.342 ( 0.673 -0.111 7.931) 7.960 29.474 ( 9.499 -2.707 -1.715) 10.025 29.746 ( 5.854 17.247 4.625) 18.791 30.014 ( 10.745 12.153 -17.055) 23.538 30.381 ( 4.193 3.290 0.321) 5.340 30.408 ( 6.732 2.674 -2.096) 7.540 30.569 ( 1.329 -0.188 0.497) 1.431 30.600 ( 4.298 -1.491 -2.254) 5.077 31.537 ( -10.037 -30.592 21.421) 38.671 31.852 ( -17.708 -34.461 -7.152) 39.399 ======================= Grid point 93 (35/48) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 23.008 21.977 15.989) 35.609 2.685 ( 14.665 22.235 -12.608) 29.469 2.904 ( 14.157 22.261 4.036) 26.689 3.123 ( 5.944 20.585 -8.385) 23.008 3.269 ( 1.708 4.908 9.151) 10.524 3.383 ( -0.797 24.530 0.644) 24.552 3.564 ( 8.778 19.452 -3.451) 21.618 3.638 ( 9.510 2.410 -11.955) 15.465 3.877 ( -7.642 23.299 4.905) 25.006 3.932 ( 11.858 15.632 1.084) 19.650 3.997 ( -0.303 9.093 2.253) 9.373 4.052 ( 3.641 4.742 -1.905) 6.275 4.130 ( -3.476 6.372 2.964) 7.840 4.152 ( -9.286 8.688 0.680) 12.735 4.275 ( -4.813 5.607 3.326) 8.103 4.355 ( -5.298 10.611 -4.145) 12.564 4.450 ( 11.488 8.650 2.564) 14.607 4.584 ( 6.988 4.989 -5.963) 10.454 4.595 ( 4.431 -1.316 1.891) 4.994 4.667 ( 0.748 0.786 -1.305) 1.697 4.819 ( -0.422 2.734 6.003) 6.610 4.869 ( -0.182 1.902 -0.497) 1.974 4.937 ( -3.753 6.028 -3.357) 7.854 5.055 ( 2.127 1.320 -4.202) 4.891 5.113 ( 5.010 5.126 4.021) 8.218 5.248 ( 3.713 6.253 -5.957) 9.400 5.308 ( 4.492 4.942 2.702) 7.205 5.331 ( 7.202 5.236 2.574) 9.269 5.439 ( 3.435 12.044 -4.213) 13.214 5.453 ( -2.051 8.648 1.846) 9.077 5.544 ( 3.005 7.486 -2.438) 8.427 5.619 ( 0.482 9.715 -0.503) 9.740 5.681 ( -0.354 -4.501 -1.630) 4.801 5.715 ( -1.671 4.208 1.785) 4.867 5.729 ( -0.347 1.933 6.050) 6.361 5.836 ( -3.786 0.785 3.863) 5.466 5.897 ( 1.989 7.178 -0.393) 7.459 5.935 ( 2.762 -1.070 -3.470) 4.562 5.992 ( 2.015 11.355 5.712) 12.869 6.101 ( -5.694 6.086 -3.081) 8.886 6.113 ( -4.354 2.530 -0.774) 5.095 6.194 ( 0.801 4.475 -4.778) 6.595 6.279 ( -5.930 4.898 2.660) 8.139 6.335 ( -7.214 1.977 -0.213) 7.483 6.411 ( -2.849 -6.347 -1.267) 7.071 6.463 ( -0.166 -3.253 -3.699) 4.929 6.619 ( 1.697 -0.787 4.326) 4.714 6.671 ( -12.024 -5.585 2.188) 13.437 6.714 ( -8.035 2.300 0.667) 8.384 6.807 ( 1.160 4.932 -4.699) 6.910 6.866 ( -5.577 -2.034 0.936) 6.009 6.980 ( -10.268 3.102 -5.083) 11.870 7.104 ( 1.662 0.588 5.053) 5.352 7.169 ( -0.787 3.810 0.154) 3.893 7.260 ( -3.173 0.595 4.490) 5.530 7.324 ( -2.942 -5.026 -1.382) 5.986 7.489 ( 2.443 -2.694 3.693) 5.183 7.557 ( 5.739 0.740 1.925) 6.098 7.597 ( 2.114 -0.832 -0.235) 2.284 7.693 ( 2.083 1.823 -4.339) 5.147 7.730 ( -2.655 -1.780 -1.220) 3.421 7.768 ( -0.337 0.711 -1.638) 1.817 7.904 ( 1.139 -3.105 -0.528) 3.349 7.928 ( 3.718 -1.523 -3.199) 5.136 8.028 ( 0.984 4.443 2.186) 5.048 8.073 ( -0.637 2.849 0.705) 3.004 8.206 ( -6.772 0.683 -2.455) 7.235 8.232 ( -8.224 3.551 -2.277) 9.242 8.535 ( 4.954 -5.946 3.069) 8.326 8.576 ( 1.665 -1.093 -0.507) 2.055 8.645 ( 4.003 0.218 2.235) 4.590 8.660 ( 3.209 4.882 0.238) 5.847 8.712 ( 4.931 -0.288 0.997) 5.039 8.781 ( -3.355 -6.326 -4.541) 8.479 8.958 ( -1.705 -2.555 -0.272) 3.084 9.002 ( -4.339 -2.461 -2.083) 5.406 9.093 ( 5.232 -11.123 6.391) 13.854 9.216 ( 3.052 -4.747 1.287) 5.789 9.308 ( -0.796 -7.048 4.935) 8.641 9.350 ( -2.374 -3.844 1.999) 4.940 9.418 ( -3.368 2.853 1.967) 4.833 9.507 ( 2.204 0.381 -1.297) 2.585 9.655 ( 3.495 -3.032 1.037) 4.742 9.714 ( -0.187 -3.212 -1.108) 3.403 9.745 ( -3.805 -2.338 -7.042) 8.339 9.804 ( -1.882 -2.245 -6.143) 6.806 9.988 ( -0.789 4.266 6.073) 7.463 10.045 ( -6.883 3.894 1.424) 8.035 10.265 ( -2.216 -3.384 0.690) 4.103 10.311 ( 6.418 2.862 -0.716) 7.064 10.325 ( 0.301 -8.651 1.977) 8.879 10.441 ( 2.539 -3.488 -2.368) 4.921 10.550 ( 3.571 -2.165 0.261) 4.184 10.630 ( 0.761 -2.809 -4.041) 4.980 10.746 ( -4.452 -2.274 1.271) 5.158 10.792 ( -3.812 -4.486 -2.116) 6.256 10.876 ( 6.311 -2.824 1.583) 7.093 10.906 ( 4.629 -2.289 -0.849) 5.233 11.071 ( -2.887 -5.975 1.827) 6.883 11.108 ( -3.924 -4.649 -1.395) 6.242 11.364 ( 4.670 10.602 4.636) 12.478 11.481 ( 3.509 11.118 -4.496) 12.495 11.858 ( -17.573 11.898 0.426) 21.227 11.872 ( -14.933 11.901 -0.471) 19.101 12.647 ( 6.224 -1.720 2.278) 6.847 12.723 ( 7.987 -3.443 -3.761) 9.476 12.812 ( 2.912 -5.769 2.789) 7.038 12.879 ( 7.078 -4.092 -1.750) 8.361 12.956 ( 0.177 3.284 2.407) 4.076 13.032 ( -0.931 -4.050 -3.673) 5.546 13.368 ( -15.911 -0.098 2.752) 16.147 13.428 ( -15.008 -2.758 -0.654) 15.273 13.868 ( 1.577 -2.662 0.548) 3.142 13.883 ( 0.419 -4.616 0.300) 4.645 13.978 ( -1.921 -4.550 -0.595) 4.974 14.011 ( -1.566 -2.718 -2.062) 3.754 14.359 ( 4.511 -3.121 3.009) 6.256 14.396 ( 4.267 -3.736 0.371) 5.683 14.446 ( 0.201 -5.013 1.010) 5.118 14.522 ( 0.390 -3.862 -4.172) 5.699 14.646 ( 6.045 6.214 0.523) 8.685 14.676 ( 6.174 4.937 -1.638) 8.073 14.878 ( -4.625 10.701 2.307) 11.884 14.883 ( -4.139 12.506 1.781) 13.293 15.166 ( 10.178 -10.132 2.297) 14.544 15.223 ( 8.193 -13.948 -1.857) 16.282 15.359 ( 4.364 13.942 0.977) 14.642 15.401 ( 2.492 9.007 -2.136) 9.586 15.605 ( -0.744 -0.656 0.955) 1.377 15.634 ( -2.865 -11.931 -1.337) 12.343 15.800 ( 0.027 6.092 2.177) 6.469 15.849 ( -2.387 -5.539 -1.899) 6.323 16.955 ( 32.553 3.364 13.819) 35.524 17.359 ( 24.105 -12.058 -17.731) 32.263 17.759 ( 2.428 -2.179 0.174) 3.267 17.792 ( 4.426 -1.186 -3.810) 5.959 17.914 ( -7.215 -3.495 7.372) 10.891 18.119 ( -6.410 -9.199 -7.310) 13.385 18.298 ( -9.928 -10.920 4.568) 15.449 18.405 ( -11.516 -13.469 -4.563) 18.299 19.069 ( 8.200 8.356 10.256) 15.564 19.278 ( 0.786 2.183 -6.385) 6.794 19.399 ( -3.088 -3.709 1.344) 5.010 19.432 ( -3.837 -4.025 -0.806) 5.619 20.117 ( -7.739 12.480 6.176) 15.931 20.291 ( -4.654 14.139 -3.361) 15.260 20.352 ( -10.528 12.427 2.644) 16.500 20.603 ( -11.438 13.906 -13.411) 22.452 21.187 ( 7.183 -13.801 2.072) 15.696 21.253 ( 5.257 -13.049 -4.835) 14.876 21.464 ( -5.010 -5.967 3.042) 8.364 21.555 ( -5.697 -2.511 -4.029) 7.416 22.030 ( 5.158 -3.720 9.912) 11.777 22.127 ( 7.460 -7.603 2.124) 10.861 22.317 ( -3.300 -7.067 5.189) 9.368 22.484 ( -4.164 -10.899 -6.003) 13.122 26.629 ( 5.394 7.983 0.794) 9.667 26.641 ( 5.969 7.968 0.215) 9.958 26.770 ( -0.010 10.720 -0.217) 10.723 26.803 ( 0.155 10.273 -2.610) 10.601 27.710 ( 2.135 -4.450 0.533) 4.964 27.713 ( 2.083 -4.376 0.381) 4.861 27.913 ( -8.586 1.330 0.017) 8.689 27.929 ( -9.686 0.569 -1.215) 9.778 28.564 ( 7.730 2.942 1.793) 8.463 28.614 ( 7.289 3.334 -2.195) 8.310 28.882 ( -5.505 3.624 0.527) 6.612 28.913 ( -6.014 4.238 -1.577) 7.524 29.129 ( 2.196 8.606 6.450) 10.976 29.265 ( 3.625 10.434 -4.474) 11.917 29.289 ( -4.771 5.240 8.290) 10.906 29.458 ( -5.698 7.881 -5.470) 11.158 30.132 ( 25.709 -5.144 4.134) 26.542 30.251 ( 11.698 0.619 -4.939) 12.713 30.448 ( 1.679 1.932 1.891) 3.182 30.524 ( 3.497 1.500 -3.306) 5.041 30.602 ( 3.826 -2.377 4.140) 6.118 30.746 ( 11.190 -7.824 -9.083) 16.399 31.292 ( -14.620 -23.161 8.466) 28.667 31.408 ( -27.055 -25.802 -2.282) 37.456 ======================= Grid point 94 (36/48) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -19.569 14.815 10.787) 26.810 2.722 ( 19.569 14.815 10.787) 26.810 2.996 ( -11.933 18.487 -11.129) 24.658 2.996 ( 11.933 18.487 -11.129) 24.658 3.480 ( -10.169 21.161 4.736) 23.951 3.480 ( 10.169 21.161 4.736) 23.951 3.607 ( -9.403 19.849 -4.485) 22.417 3.607 ( 9.403 19.849 -4.485) 22.417 3.914 ( -8.163 7.038 1.870) 10.939 3.914 ( 8.163 7.038 1.870) 10.939 3.998 ( -2.798 4.499 -2.210) 5.741 3.998 ( 2.798 4.499 -2.210) 5.741 4.118 ( -3.926 5.761 3.271) 7.701 4.118 ( 3.926 5.761 3.271) 7.701 4.242 ( -4.694 10.592 -6.491) 13.280 4.242 ( 4.694 10.592 -6.491) 13.280 4.647 ( -1.248 -1.992 1.864) 3.000 4.647 ( 1.248 -1.992 1.864) 3.000 4.720 ( -1.829 4.213 -3.602) 5.837 4.720 ( 1.829 4.213 -3.602) 5.837 4.820 ( -5.073 3.303 8.483) 10.422 4.820 ( 5.073 3.303 8.483) 10.422 4.991 ( -11.229 4.830 -3.277) 12.656 4.991 ( 11.229 4.830 -3.277) 12.656 5.269 ( -8.079 13.811 1.215) 16.046 5.269 ( 8.079 13.811 1.215) 16.046 5.320 ( -1.568 9.526 -0.913) 9.698 5.320 ( 1.568 9.526 -0.913) 9.698 5.540 ( -4.208 6.115 5.396) 9.177 5.540 ( 4.208 6.115 5.396) 9.177 5.613 ( -2.142 0.743 0.956) 2.461 5.613 ( 2.142 0.743 0.956) 2.461 5.683 ( -6.673 1.973 1.025) 7.034 5.683 ( 6.673 1.973 1.025) 7.034 5.713 ( -6.656 1.749 -1.050) 6.961 5.713 ( 6.656 1.749 -1.050) 6.961 5.938 ( -1.483 1.617 -2.463) 3.298 5.938 ( 1.483 1.617 -2.463) 3.298 5.974 ( -3.452 9.624 -5.005) 11.384 5.974 ( 3.452 9.624 -5.005) 11.384 6.145 ( -3.688 6.615 1.855) 7.797 6.145 ( 3.688 6.615 1.855) 7.797 6.224 ( -0.641 5.546 -3.909) 6.816 6.224 ( 0.641 5.546 -3.909) 6.816 6.449 ( -6.039 -4.727 3.234) 8.323 6.449 ( 6.039 -4.727 3.234) 8.323 6.529 ( -4.567 -4.231 -3.405) 7.096 6.529 ( 4.567 -4.231 -3.405) 7.096 6.734 ( -5.265 0.483 3.903) 6.572 6.734 ( 5.265 0.483 3.903) 6.572 6.849 ( -3.855 3.787 -4.709) 7.168 6.849 ( 3.855 3.787 -4.709) 7.168 7.191 ( -1.501 -1.698 3.349) 4.044 7.191 ( 1.501 -1.698 3.349) 4.044 7.225 ( -5.325 1.187 1.598) 5.685 7.225 ( 5.325 1.187 1.598) 5.685 7.529 ( -2.829 -1.122 6.141) 6.854 7.529 ( 2.829 -1.122 6.141) 6.854 7.701 ( -1.620 -1.628 -7.266) 7.620 7.701 ( 1.620 -1.628 -7.266) 7.620 7.821 ( -9.509 -3.588 1.216) 10.235 7.821 ( 9.509 -3.588 1.216) 10.235 7.887 ( -9.866 3.068 -3.354) 10.863 7.887 ( 9.866 3.068 -3.354) 10.863 8.048 ( -0.963 3.890 2.222) 4.582 8.048 ( 0.963 3.890 2.222) 4.582 8.105 ( -3.152 3.709 -2.316) 5.391 8.105 ( 3.152 3.709 -2.316) 5.391 8.597 ( -1.416 -5.322 2.349) 5.987 8.597 ( 1.416 -5.322 2.349) 5.987 8.710 ( -2.962 -3.000 -5.049) 6.577 8.710 ( 2.962 -3.000 -5.049) 6.577 8.804 ( -6.443 1.285 4.182) 7.788 8.804 ( 6.443 1.285 4.182) 7.788 8.902 ( -4.984 6.257 -2.000) 8.245 8.902 ( 4.984 6.257 -2.000) 8.245 9.179 ( -3.898 -11.236 5.504) 13.105 9.179 ( 3.898 -11.236 5.504) 13.105 9.268 ( -2.431 -3.993 -1.128) 4.809 9.268 ( 2.431 -3.993 -1.128) 4.809 9.484 ( -4.078 -0.060 7.585) 8.612 9.484 ( 4.078 -0.060 7.585) 8.612 9.701 ( -1.273 -0.423 -8.457) 8.563 9.701 ( 1.273 -0.423 -8.457) 8.563 9.853 ( -8.132 -2.084 0.623) 8.418 9.853 ( 8.132 -2.084 0.623) 8.418 9.879 ( -4.678 1.638 -1.699) 5.239 9.879 ( 4.678 1.638 -1.699) 5.239 10.283 ( -2.919 -5.806 5.551) 8.546 10.283 ( 2.919 -5.806 5.551) 8.546 10.422 ( -3.841 -2.723 -4.807) 6.729 10.422 ( 3.841 -2.723 -4.807) 6.729 10.643 ( -5.402 -2.405 1.593) 6.124 10.643 ( 5.402 -2.405 1.593) 6.124 10.708 ( -4.742 -3.566 -3.064) 6.678 10.708 ( 4.742 -3.566 -3.064) 6.678 10.989 ( -1.064 -5.156 1.206) 5.401 10.989 ( 1.064 -5.156 1.206) 5.401 11.012 ( -2.075 -3.868 -0.413) 4.409 11.012 ( 2.075 -3.868 -0.413) 4.409 11.538 ( -12.931 12.741 3.276) 18.447 11.538 ( 12.931 12.741 3.276) 18.447 11.620 ( -9.964 13.990 -3.249) 17.480 11.620 ( 9.964 13.990 -3.249) 17.480 12.769 ( -4.950 -4.034 3.708) 7.384 12.769 ( 4.950 -4.034 3.708) 7.384 12.876 ( -5.015 -4.015 -5.301) 8.329 12.876 ( 5.015 -4.015 -5.301) 8.329 13.088 ( -10.141 -2.278 3.455) 10.953 13.088 ( 10.141 -2.278 3.455) 10.953 13.160 ( -11.015 -3.654 -2.112) 11.796 13.160 ( 11.015 -3.654 -2.112) 11.796 13.887 ( -0.739 -5.049 3.113) 5.977 13.887 ( 0.739 -5.049 3.113) 5.977 13.976 ( -1.691 -2.962 -3.469) 4.865 13.976 ( 1.691 -2.962 -3.469) 4.865 14.423 ( -1.846 -4.481 2.551) 5.476 14.423 ( 1.846 -4.481 2.551) 5.476 14.490 ( -3.535 -2.935 -2.203) 5.095 14.490 ( 3.535 -2.935 -2.203) 5.095 14.762 ( -5.154 10.158 1.675) 11.513 14.762 ( 5.154 10.158 1.675) 11.513 14.788 ( -4.023 6.492 -0.168) 7.639 14.788 ( 4.023 6.492 -0.168) 7.639 15.300 ( -2.558 -8.062 1.588) 8.606 15.300 ( 2.558 -8.062 1.588) 8.606 15.357 ( -1.635 -2.007 -2.673) 3.721 15.357 ( 1.635 -2.007 -2.673) 3.721 15.710 ( -2.803 2.846 1.865) 4.409 15.710 ( 2.803 2.846 1.865) 4.409 15.750 ( -3.752 1.504 -1.454) 4.296 15.750 ( 3.752 1.504 -1.454) 4.296 17.513 ( -22.988 -7.935 9.090) 25.963 17.513 ( 22.988 -7.935 9.090) 25.963 17.738 ( -12.683 -15.629 -7.598) 21.514 17.738 ( 12.683 -15.629 -7.598) 21.514 18.047 ( -13.056 -3.676 1.437) 13.639 18.047 ( 13.056 -3.676 1.437) 13.639 18.141 ( -11.063 -3.950 -7.214) 13.786 18.141 ( 11.063 -3.950 -7.214) 13.786 19.246 ( -8.609 3.167 7.633) 11.933 19.246 ( 8.609 3.167 7.633) 11.933 19.354 ( -3.258 -2.734 -1.906) 4.661 19.354 ( 3.258 -2.734 -1.906) 4.661 20.116 ( -7.242 14.228 8.163) 17.930 20.116 ( 7.242 14.228 8.163) 17.930 20.387 ( -8.935 16.701 -13.210) 23.093 20.387 ( 8.935 16.701 -13.210) 23.093 21.337 ( -7.562 -9.487 2.286) 12.345 21.337 ( 7.562 -9.487 2.286) 12.345 21.414 ( -8.645 -7.399 -4.254) 12.148 21.414 ( 8.645 -7.399 -4.254) 12.148 22.156 ( -6.257 -6.388 10.470) 13.769 22.156 ( 6.257 -6.388 10.470) 13.769 22.350 ( -8.215 -7.608 -5.790) 12.605 22.350 ( 8.215 -7.608 -5.790) 12.605 26.705 ( -1.376 8.927 2.322) 9.326 26.705 ( 1.376 8.927 2.322) 9.326 26.776 ( -2.078 8.354 -3.400) 9.256 26.776 ( 2.078 8.354 -3.400) 9.256 27.759 ( -0.102 -2.681 1.967) 3.327 27.759 ( 0.102 -2.681 1.967) 3.327 27.807 ( -0.389 -0.872 -1.915) 2.140 27.807 ( 0.389 -0.872 -1.915) 2.140 28.728 ( -7.799 3.482 1.604) 8.690 28.728 ( 7.799 3.482 1.604) 8.690 28.772 ( -7.046 4.079 -2.005) 8.385 28.772 ( 7.046 4.079 -2.005) 8.385 29.196 ( -4.441 7.996 7.379) 11.752 29.196 ( 4.441 7.996 7.379) 11.752 29.350 ( -5.153 10.373 -5.003) 12.617 29.350 ( 5.153 10.373 -5.003) 12.617 30.404 ( -4.941 -0.676 2.708) 5.675 30.404 ( 4.941 -0.676 2.708) 5.675 30.493 ( -6.646 -0.819 -4.693) 8.177 30.493 ( 6.646 -0.819 -4.693) 8.177 30.879 ( -24.973 -15.200 5.708) 29.787 30.879 ( 24.973 -15.200 5.708) 29.787 31.005 ( -14.436 -15.937 -4.638) 21.998 31.005 ( 14.436 -15.937 -4.638) 21.998 ======================= Grid point 98 (37/48) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 0.000 32.058 25.478) 40.949 2.613 ( 0.000 32.536 11.111) 34.381 2.912 ( 0.000 20.492 -12.142) 23.819 3.110 ( 0.000 25.365 -27.314) 37.275 3.247 ( 0.000 7.747 9.005) 11.879 3.495 ( 0.000 4.282 -9.813) 10.707 3.810 ( 0.000 0.704 5.574) 5.619 3.901 ( 0.000 2.827 -1.963) 3.441 3.994 ( 0.000 3.404 6.656) 7.475 4.095 ( 0.000 31.277 4.315) 31.573 4.098 ( 0.000 0.916 -0.486) 1.037 4.246 ( 0.000 8.426 -4.637) 9.617 4.300 ( 0.000 -6.471 6.325) 9.049 4.346 ( 0.000 12.674 1.520) 12.764 4.470 ( 0.000 16.982 -8.456) 18.970 4.553 ( 0.000 1.422 -2.781) 3.123 4.564 ( 0.000 12.718 5.546) 13.875 4.592 ( 0.000 -0.810 -5.256) 5.318 4.664 ( 0.000 16.352 -2.726) 16.578 4.742 ( 0.000 3.843 -3.404) 5.134 4.846 ( 0.000 2.300 1.753) 2.892 4.866 ( 0.000 0.453 5.216) 5.236 5.014 ( 0.000 0.527 -6.248) 6.270 5.015 ( 0.000 3.983 -7.172) 8.204 5.159 ( 0.000 -8.102 0.035) 8.102 5.176 ( 0.000 -6.303 -1.485) 6.476 5.183 ( 0.000 -0.607 5.865) 5.897 5.368 ( 0.000 -4.052 -8.902) 9.781 5.439 ( 0.000 5.132 7.414) 9.017 5.520 ( 0.000 2.890 3.311) 4.395 5.593 ( 0.000 -1.525 -4.007) 4.287 5.628 ( 0.000 1.454 6.949) 7.099 5.679 ( 0.000 6.054 -2.135) 6.420 5.683 ( 0.000 -4.306 1.157) 4.459 5.842 ( 0.000 -1.008 5.847) 5.933 5.918 ( 0.000 -3.903 9.878) 10.621 5.965 ( 0.000 7.403 0.483) 7.419 5.981 ( 0.000 1.090 -2.047) 2.319 6.028 ( 0.000 2.389 -3.633) 4.348 6.091 ( 0.000 1.997 -4.792) 5.191 6.245 ( 0.000 -12.639 -0.236) 12.641 6.257 ( 0.000 -9.958 -2.559) 10.282 6.305 ( 0.000 -6.054 8.152) 10.154 6.508 ( 0.000 3.068 -5.051) 5.909 6.527 ( 0.000 -10.842 1.907) 11.009 6.548 ( 0.000 -6.745 0.731) 6.785 6.705 ( 0.000 11.123 11.194) 15.780 6.903 ( 0.000 26.720 -2.814) 26.868 6.939 ( 0.000 33.036 -1.234) 33.059 6.983 ( 0.000 -9.143 1.262) 9.230 7.009 ( 0.000 -7.696 -0.578) 7.718 7.073 ( 0.000 10.562 -10.438) 14.849 7.114 ( 0.000 -5.563 2.170) 5.971 7.280 ( 0.000 -0.933 -8.778) 8.828 7.398 ( 0.000 -10.365 4.725) 11.392 7.427 ( 0.000 23.028 3.425) 23.281 7.512 ( 0.000 4.681 -4.122) 6.237 7.544 ( 0.000 -5.364 -6.615) 8.517 7.665 ( 0.000 6.714 1.471) 6.874 7.722 ( 0.000 -4.301 6.429) 7.735 7.723 ( 0.000 24.453 -2.726) 24.605 7.797 ( 0.000 9.928 7.018) 12.158 7.853 ( 0.000 -5.676 -4.763) 7.410 7.980 ( 0.000 13.571 -7.340) 15.429 8.156 ( 0.000 -4.103 8.263) 9.225 8.199 ( 0.000 9.716 7.459) 12.249 8.314 ( 0.000 -6.749 -4.909) 8.346 8.352 ( 0.000 7.439 -0.389) 7.449 8.393 ( 0.000 2.570 4.387) 5.085 8.484 ( 0.000 -5.836 5.132) 7.771 8.540 ( 0.000 9.467 -1.378) 9.566 8.553 ( 0.000 -5.748 -2.480) 6.260 8.613 ( 0.000 0.432 -4.593) 4.613 8.740 ( 0.000 2.347 -9.490) 9.776 8.762 ( 0.000 -4.528 1.954) 4.932 8.852 ( 0.000 -3.586 -4.175) 5.504 8.959 ( 0.000 -3.381 3.624) 4.956 9.022 ( 0.000 -4.353 5.964) 7.384 9.052 ( 0.000 -3.917 1.555) 4.214 9.089 ( 0.000 -3.476 -6.257) 7.157 9.523 ( 0.000 -2.308 9.698) 9.969 9.613 ( 0.000 -1.279 12.691) 12.756 9.634 ( 0.000 -7.490 -0.597) 7.514 9.865 ( 0.000 2.566 0.190) 2.573 9.896 ( 0.000 -1.049 -1.124) 1.537 9.926 ( 0.000 -4.497 -1.149) 4.641 9.973 ( 0.000 4.792 -4.268) 6.417 9.981 ( 0.000 -0.878 -15.509) 15.534 10.066 ( 0.000 -7.245 2.468) 7.654 10.110 ( 0.000 -7.129 -0.484) 7.145 10.405 ( 0.000 3.466 6.179) 7.085 10.457 ( 0.000 -8.450 1.763) 8.632 10.504 ( 0.000 -4.523 -1.415) 4.739 10.530 ( 0.000 -0.212 -3.678) 3.684 10.701 ( 0.000 -9.360 1.257) 9.444 10.757 ( 0.000 -10.464 -3.559) 11.053 10.803 ( 0.000 8.465 0.575) 8.485 10.828 ( 0.000 7.227 -0.722) 7.263 11.108 ( 0.000 -3.408 3.621) 4.972 11.181 ( 0.000 -0.720 -2.541) 2.641 11.520 ( 0.000 15.773 4.040) 16.282 11.601 ( 0.000 12.231 -2.164) 12.421 12.341 ( 0.000 -3.365 3.224) 4.660 12.389 ( 0.000 3.438 0.085) 3.439 12.410 ( 0.000 3.072 -1.440) 3.393 12.419 ( 0.000 -3.572 -2.912) 4.609 12.617 ( 0.000 -2.593 0.400) 2.624 12.637 ( 0.000 -3.628 -1.064) 3.781 13.072 ( 0.000 -8.830 0.603) 8.851 13.081 ( 0.000 -7.663 0.182) 7.665 13.770 ( 0.000 0.465 -1.478) 1.549 13.827 ( 0.000 -1.020 -6.285) 6.367 13.876 ( 0.000 -10.101 1.488) 10.210 13.913 ( 0.000 -7.201 -1.410) 7.338 13.945 ( 0.000 -11.056 2.862) 11.420 14.048 ( 0.000 -8.474 -5.909) 10.331 14.132 ( 0.000 -1.833 5.947) 6.223 14.205 ( 0.000 -3.935 1.224) 4.121 14.348 ( 0.000 -5.190 5.680) 7.694 14.427 ( 0.000 13.015 5.423) 14.100 14.449 ( 0.000 -4.187 -2.629) 4.944 14.571 ( 0.000 8.261 -5.361) 9.848 14.638 ( 0.000 -9.850 4.099) 10.669 14.734 ( 0.000 -7.844 -3.450) 8.569 15.244 ( 0.000 10.192 4.680) 11.215 15.344 ( 0.000 11.242 2.061) 11.429 15.357 ( 0.000 8.982 -4.321) 9.967 15.370 ( 0.000 2.386 -0.065) 2.387 15.445 ( 0.000 -6.536 0.310) 6.544 15.482 ( 0.000 4.139 -2.565) 4.870 15.961 ( 0.000 5.248 3.849) 6.508 16.035 ( 0.000 9.437 -2.050) 9.657 16.678 ( 0.000 26.812 7.240) 27.773 16.915 ( 0.000 12.226 -11.758) 16.962 17.644 ( 0.000 0.980 2.836) 3.000 17.731 ( 0.000 -0.221 -4.547) 4.553 18.037 ( 0.000 -14.415 6.906) 15.983 18.051 ( 0.000 -9.414 6.558) 11.473 18.178 ( 0.000 -19.443 -4.524) 19.962 18.190 ( 0.000 -10.060 -4.910) 11.194 19.171 ( 0.000 13.319 8.535) 15.819 19.356 ( 0.000 -4.819 -5.397) 7.235 19.414 ( 0.000 3.589 3.551) 5.049 19.575 ( 0.000 16.240 -9.095) 18.614 20.129 ( 0.000 -21.826 5.558) 22.522 20.308 ( 0.000 -20.802 -9.768) 22.981 20.777 ( 0.000 17.057 -0.491) 17.064 20.847 ( 0.000 18.105 -6.561) 19.257 20.891 ( 0.000 -15.158 14.802) 21.186 21.211 ( 0.000 -13.055 -11.147) 17.167 21.529 ( 0.000 -3.413 1.316) 3.658 21.624 ( 0.000 -5.288 -5.525) 7.648 21.961 ( 0.000 -4.645 8.751) 9.907 22.051 ( 0.000 -3.587 9.076) 9.759 22.102 ( 0.000 -7.362 -3.233) 8.041 22.205 ( 0.000 -2.488 -4.217) 4.896 26.655 ( 0.000 10.237 0.235) 10.240 26.660 ( 0.000 10.319 -0.175) 10.321 27.030 ( 0.000 15.407 0.573) 15.417 27.047 ( 0.000 16.185 -0.743) 16.202 27.509 ( 0.000 -10.768 0.256) 10.771 27.514 ( 0.000 -10.834 -0.065) 10.834 28.237 ( 0.000 -11.010 0.544) 11.024 28.245 ( 0.000 -11.525 0.121) 11.526 28.454 ( 0.000 2.391 2.048) 3.148 28.552 ( 0.000 0.754 -6.336) 6.380 28.650 ( 0.000 -3.424 1.801) 3.869 28.698 ( 0.000 -3.358 -2.003) 3.911 29.339 ( 0.000 5.793 3.231) 6.633 29.346 ( 0.000 7.078 9.408) 11.773 29.416 ( 0.000 6.915 -2.904) 7.500 29.477 ( 0.000 9.676 -1.665) 9.818 30.114 ( 0.000 17.645 1.813) 17.737 30.271 ( 0.000 14.223 -12.159) 18.712 30.382 ( 0.000 0.521 0.168) 0.548 30.386 ( 0.000 1.161 -0.157) 1.172 30.586 ( 0.000 4.138 0.659) 4.191 30.603 ( 0.000 4.620 -0.658) 4.666 31.096 ( 0.000 -22.796 14.460) 26.995 31.335 ( 0.000 -32.873 -6.309) 33.473 ======================= Grid point 99 (38/48) ======================= q-point: ( 0.17 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 8.079 31.628 20.090) 38.330 2.868 ( 19.823 26.346 7.788) 33.878 2.989 ( 9.487 21.496 -11.203) 26.031 3.208 ( 8.139 15.705 -10.091) 20.365 3.336 ( 8.932 12.415 1.472) 15.365 3.572 ( 6.753 4.958 -11.242) 14.020 3.725 ( -6.604 3.613 4.483) 8.761 3.818 ( -6.264 1.638 -2.824) 7.063 4.095 ( 3.549 3.870 1.154) 5.376 4.109 ( 3.352 9.844 3.019) 10.829 4.154 ( -2.413 3.834 1.352) 4.728 4.225 ( 8.581 12.608 6.440) 16.555 4.302 ( -9.218 7.181 -4.963) 12.696 4.374 ( 2.451 -1.973 5.714) 6.523 4.412 ( 8.365 13.853 -6.854) 17.575 4.491 ( -3.038 8.953 2.405) 9.755 4.527 ( -4.488 14.947 -1.900) 15.722 4.634 ( -2.875 2.717 -8.221) 9.123 4.715 ( -2.952 3.808 2.921) 5.634 4.785 ( 0.734 9.544 2.521) 9.898 4.812 ( 8.545 7.749 1.877) 11.687 4.905 ( -2.859 2.807 -3.764) 5.498 4.960 ( 2.977 -0.116 -2.831) 4.110 5.053 ( 0.874 1.722 -3.702) 4.176 5.103 ( -2.172 2.605 1.788) 3.834 5.187 ( -1.383 -2.467 -2.206) 3.587 5.237 ( 4.350 -2.785 2.138) 5.590 5.346 ( 3.054 -5.724 -6.308) 9.049 5.483 ( 2.551 3.052 5.780) 7.017 5.517 ( -0.827 -2.784 0.082) 2.905 5.543 ( -4.360 3.106 3.102) 6.187 5.586 ( -0.392 0.675 -2.473) 2.593 5.685 ( 0.752 -3.149 6.851) 7.577 5.748 ( 1.790 -1.648 -0.830) 2.571 5.811 ( -3.593 -0.885 4.424) 5.767 5.928 ( -2.309 2.790 -0.444) 3.649 5.963 ( 2.437 -1.280 6.637) 7.185 6.004 ( 0.424 -0.977 2.460) 2.681 6.048 ( 2.494 8.940 -5.221) 10.649 6.122 ( 2.945 0.384 -4.418) 5.324 6.245 ( -0.282 -6.093 -0.591) 6.128 6.264 ( -0.768 -4.938 1.022) 5.100 6.291 ( 2.488 -10.320 -0.172) 10.617 6.424 ( -4.663 -3.454 -5.674) 8.116 6.539 ( -0.758 -1.850 4.735) 5.140 6.632 ( 5.017 -0.259 -0.102) 5.025 6.736 ( 1.496 3.816 8.734) 9.647 6.803 ( -9.081 7.756 3.903) 12.564 6.872 ( -5.734 30.330 -3.669) 31.085 6.988 ( -3.217 11.951 -4.401) 13.136 7.025 ( 1.653 -2.131 1.904) 3.301 7.077 ( 4.721 3.206 -1.538) 5.910 7.178 ( 2.108 -7.267 -2.423) 7.945 7.212 ( -5.822 4.050 -6.860) 9.867 7.314 ( -2.090 -0.149 -0.532) 2.161 7.391 ( -0.433 2.281 -3.697) 4.366 7.521 ( -4.658 7.824 4.914) 10.347 7.605 ( 1.115 9.280 -0.432) 9.357 7.641 ( 0.393 -5.046 0.959) 5.151 7.677 ( 0.261 18.384 -2.230) 18.521 7.787 ( -1.610 11.820 4.992) 12.932 7.812 ( 5.030 1.712 3.248) 6.227 7.943 ( 2.131 0.544 -3.188) 3.873 7.967 ( -0.889 8.504 -4.929) 9.869 8.111 ( 0.237 7.883 2.803) 8.369 8.177 ( -6.081 6.396 -1.186) 8.904 8.241 ( 1.283 0.800 1.525) 2.147 8.340 ( -1.583 6.106 -3.722) 7.324 8.424 ( -0.498 -2.788 3.672) 4.637 8.491 ( 0.552 1.353 2.239) 2.673 8.521 ( -0.175 -5.583 -2.286) 6.035 8.558 ( 5.506 1.187 -1.240) 5.767 8.637 ( -2.774 -7.058 -1.575) 7.746 8.683 ( -1.276 -3.901 -3.318) 5.278 8.874 ( 6.841 -1.151 4.970) 8.534 8.930 ( -1.434 -4.391 5.882) 7.479 8.997 ( 0.721 -0.401 -1.290) 1.532 9.036 ( 7.026 -1.849 4.855) 8.738 9.065 ( 8.917 -1.094 -3.377) 9.597 9.187 ( 7.483 -5.600 -6.554) 11.415 9.513 ( -2.934 -4.616 5.922) 8.061 9.569 ( -4.704 -2.817 4.001) 6.787 9.628 ( -2.288 -1.745 4.253) 5.135 9.706 ( -9.983 -0.925 1.748) 10.177 9.798 ( -2.505 -1.323 -2.467) 3.757 9.849 ( -10.349 -3.597 -7.359) 13.198 9.967 ( 1.219 -0.843 1.579) 2.166 10.054 ( 2.239 -2.703 -3.194) 4.745 10.165 ( 8.780 -1.784 -1.220) 9.042 10.179 ( 5.914 -6.336 -2.432) 9.002 10.391 ( -1.844 0.201 4.378) 4.755 10.420 ( -4.794 -0.165 0.699) 4.848 10.477 ( -0.857 -6.138 1.707) 6.428 10.571 ( 2.170 -2.903 -3.716) 5.191 10.713 ( 0.336 -8.730 0.768) 8.770 10.755 ( -1.707 -6.373 -2.964) 7.233 10.788 ( -1.422 5.108 0.822) 5.366 10.825 ( 1.134 1.074 -1.762) 2.355 11.048 ( -5.002 -3.596 2.901) 6.809 11.105 ( -6.258 -2.302 -2.040) 6.973 11.552 ( 3.109 16.837 4.007) 17.584 11.637 ( 3.231 12.706 -2.584) 13.362 12.219 ( -7.093 3.072 2.345) 8.078 12.275 ( -7.671 4.399 -2.234) 9.120 12.504 ( 5.375 -2.367 -0.832) 5.932 12.514 ( 3.490 -3.285 -1.301) 4.966 12.648 ( 2.521 -4.316 1.313) 5.167 12.685 ( 4.657 -3.934 -0.927) 6.166 13.002 ( -4.885 -6.337 1.328) 8.111 13.036 ( -3.822 -5.378 -1.041) 6.679 13.685 ( -10.134 -0.958 0.523) 10.192 13.721 ( -12.798 -2.061 -2.045) 13.123 13.849 ( -3.548 -1.880 0.648) 4.067 13.855 ( -2.345 -4.435 0.306) 5.026 13.938 ( -3.062 -2.754 1.251) 4.304 13.992 ( -0.324 -1.367 -3.163) 3.461 14.183 ( 5.083 -5.582 2.137) 7.846 14.218 ( 2.051 -4.395 -0.946) 4.942 14.324 ( 2.198 -4.180 3.136) 5.669 14.407 ( -0.160 -3.645 -3.224) 4.869 14.542 ( 1.134 -12.655 1.253) 12.767 14.547 ( 3.057 -6.172 1.408) 7.030 14.782 ( 7.634 -7.369 0.621) 10.628 14.805 ( 4.862 -10.348 -0.911) 11.470 15.189 ( -1.177 15.061 2.581) 15.325 15.237 ( -4.893 11.650 -1.025) 12.677 15.373 ( -2.129 -3.586 1.837) 4.557 15.423 ( -1.169 -3.810 -2.029) 4.472 15.519 ( 9.711 13.630 1.904) 16.843 15.592 ( 10.048 12.524 -3.508) 16.436 15.960 ( -0.232 5.374 3.512) 6.424 16.029 ( -0.675 9.101 -1.921) 9.326 16.781 ( 10.266 19.753 6.930) 23.315 16.993 ( 7.901 7.122 -9.998) 14.598 17.676 ( 2.838 -0.124 1.417) 3.175 17.732 ( -0.910 -2.800 -3.369) 4.474 17.936 ( -8.319 -10.724 4.541) 14.312 17.983 ( -3.969 -12.704 2.394) 13.523 18.201 ( -0.095 -11.884 -0.901) 11.919 18.224 ( 1.780 -12.433 -3.078) 12.931 19.192 ( 2.357 11.989 6.794) 13.980 19.322 ( -2.587 -3.057 -3.858) 5.561 19.413 ( 0.578 6.173 4.143) 7.457 19.569 ( -0.897 15.512 -7.670) 17.328 20.237 ( 8.816 -17.746 4.752) 20.377 20.355 ( 1.610 -11.606 -4.875) 12.691 20.695 ( -5.172 10.031 1.047) 11.334 20.812 ( 0.134 7.005 -3.216) 7.709 20.871 ( -4.894 -4.621 5.477) 8.677 21.175 ( -5.493 -8.193 -12.754) 16.123 21.435 ( -7.616 -5.739 1.157) 9.607 21.530 ( -6.481 -8.757 -5.688) 12.290 21.923 ( -0.818 -5.121 9.635) 10.942 22.000 ( -0.082 0.663 5.523) 5.563 22.203 ( 1.044 -6.009 -0.057) 6.099 22.267 ( 5.834 -6.135 -2.701) 8.887 26.696 ( 3.906 9.537 0.113) 10.307 26.700 ( 3.960 9.442 -0.091) 10.239 27.016 ( -1.557 13.378 0.625) 13.483 27.037 ( -1.109 13.700 -1.060) 13.786 27.531 ( 2.115 -9.464 0.401) 9.706 27.535 ( 2.320 -9.378 0.199) 9.663 28.079 ( -11.735 -7.067 -0.298) 13.702 28.083 ( -11.978 -8.336 -0.605) 14.605 28.499 ( 4.648 2.791 2.144) 5.830 28.563 ( 3.791 2.669 -2.917) 5.478 28.836 ( 10.881 -5.543 0.265) 12.214 28.879 ( 11.983 -4.991 -2.546) 13.228 29.298 ( -2.655 7.168 4.696) 8.971 29.355 ( 0.159 4.817 6.992) 8.492 29.410 ( 0.090 5.905 -2.219) 6.309 29.504 ( 2.577 6.926 -1.978) 7.650 30.086 ( -1.443 16.602 3.199) 16.969 30.246 ( -1.072 10.216 -9.683) 14.116 30.427 ( 4.127 0.467 0.432) 4.176 30.437 ( 4.531 2.389 -0.530) 5.150 30.604 ( 1.205 1.626 -1.010) 2.262 30.617 ( 0.670 3.643 -1.235) 3.905 31.050 ( -4.595 -19.938 10.991) 23.226 31.226 ( -10.914 -29.367 -4.401) 31.637 ======================= Grid point 100 (39/48) ======================= q-point: ( 0.33 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 15.511 26.053 15.733) 34.159 3.128 ( 9.334 22.531 -8.942) 25.976 3.298 ( -0.674 12.828 1.711) 12.959 3.350 ( 19.387 14.185 2.956) 24.204 3.498 ( 1.719 15.118 -0.995) 15.248 3.632 ( 7.123 6.328 -9.960) 13.783 3.733 ( 1.465 2.010 -1.898) 3.129 3.761 ( 6.070 5.351 -5.034) 9.530 4.047 ( -6.399 -0.997 2.037) 6.789 4.074 ( -3.470 1.249 0.300) 3.700 4.159 ( -1.894 6.356 1.646) 6.834 4.198 ( -1.772 10.400 -1.684) 10.684 4.342 ( -5.551 13.003 4.465) 14.827 4.409 ( -1.583 -0.033 1.590) 2.244 4.445 ( 0.076 7.074 -3.346) 7.826 4.481 ( 3.922 7.663 4.135) 9.550 4.554 ( 0.617 1.713 -5.006) 5.327 4.592 ( 3.877 11.579 4.183) 12.907 4.682 ( -0.899 3.597 -3.239) 4.923 4.725 ( -1.380 8.298 -2.679) 8.829 4.858 ( -2.772 3.952 5.363) 7.216 4.942 ( 5.998 5.287 1.946) 8.229 4.971 ( -5.268 0.364 3.152) 6.150 5.114 ( 3.496 7.778 -8.996) 12.395 5.172 ( 9.205 1.966 2.007) 9.624 5.246 ( 11.051 -0.927 -3.028) 11.496 5.343 ( 6.194 -1.165 4.584) 7.794 5.439 ( 1.139 -4.091 4.000) 5.834 5.499 ( 2.619 1.147 0.102) 2.861 5.515 ( 6.178 1.834 -1.601) 6.640 5.552 ( -2.411 -3.400 1.626) 4.474 5.619 ( 6.487 2.144 -1.194) 6.936 5.686 ( -3.990 -5.491 2.496) 7.232 5.695 ( -1.064 -0.455 -2.327) 2.599 5.740 ( -3.816 -3.405 0.239) 5.120 5.866 ( -6.031 -5.191 -6.339) 10.173 5.941 ( -0.132 3.558 3.831) 5.230 6.051 ( 0.909 1.200 5.295) 5.504 6.067 ( 0.652 4.956 -3.937) 6.363 6.157 ( -0.827 -1.602 -1.776) 2.530 6.256 ( -0.525 -3.604 2.065) 4.187 6.315 ( 5.614 5.653 -1.109) 8.044 6.337 ( -0.549 -3.271 -4.575) 5.650 6.347 ( 0.737 0.371 -3.359) 3.459 6.501 ( -3.328 -0.230 6.157) 7.003 6.571 ( -11.056 -0.469 4.397) 11.908 6.661 ( -6.528 6.961 -0.070) 9.544 6.712 ( -7.470 21.143 -3.723) 22.731 6.782 ( 3.022 1.752 5.628) 6.624 6.963 ( -3.095 17.185 -6.293) 18.561 7.009 ( -4.716 4.495 -2.703) 7.053 7.038 ( -4.952 10.075 -1.791) 11.368 7.154 ( 5.810 5.098 4.705) 9.050 7.292 ( 2.969 -0.649 -3.802) 4.867 7.323 ( 1.341 6.683 3.286) 7.567 7.381 ( -0.814 10.705 0.695) 10.759 7.496 ( 3.106 -2.238 0.454) 3.855 7.560 ( -1.672 9.771 -2.309) 10.179 7.643 ( -1.807 1.308 1.287) 2.575 7.667 ( -3.706 -4.203 3.169) 6.438 7.726 ( -0.557 9.719 2.921) 10.164 7.859 ( -1.518 6.456 -6.208) 9.085 7.891 ( -0.713 2.510 1.197) 2.871 7.951 ( -0.872 6.292 -4.956) 8.056 8.144 ( 0.917 9.592 3.605) 10.288 8.218 ( 5.121 10.403 -0.900) 11.630 8.231 ( -3.568 6.666 -1.752) 7.761 8.322 ( -0.670 5.889 -7.033) 9.198 8.402 ( 1.403 -3.342 2.530) 4.420 8.473 ( -2.097 -4.853 -2.205) 5.728 8.560 ( -0.928 -6.143 0.186) 6.216 8.595 ( 1.228 -7.179 1.606) 7.458 8.668 ( 4.596 -3.279 0.631) 5.681 8.738 ( 10.143 0.229 -0.609) 10.164 8.891 ( -1.660 -3.737 6.311) 7.520 8.927 ( -0.470 -7.730 4.962) 9.198 9.020 ( 2.131 2.001 2.972) 4.169 9.182 ( -0.727 -1.799 -0.234) 1.954 9.223 ( 4.631 -0.054 -1.007) 4.740 9.275 ( -0.022 -1.236 0.352) 1.285 9.461 ( -5.767 -0.850 4.489) 7.357 9.509 ( 6.249 -4.989 2.262) 8.309 9.559 ( -0.212 0.455 -0.773) 0.922 9.613 ( -0.424 -7.661 -0.939) 7.730 9.681 ( -4.024 -5.617 -6.222) 9.299 9.735 ( -2.184 -2.021 -8.829) 9.316 10.040 ( 3.624 1.040 7.234) 8.158 10.086 ( -2.093 -1.721 2.030) 3.386 10.183 ( -5.712 -3.242 3.911) 7.644 10.285 ( -5.007 -0.322 -1.267) 5.175 10.338 ( 4.008 -0.740 -2.019) 4.549 10.364 ( 1.062 -3.495 -2.646) 4.511 10.487 ( 2.503 -4.982 3.323) 6.491 10.580 ( -0.511 -2.254 -3.493) 4.189 10.672 ( -3.387 -6.247 -0.921) 7.166 10.693 ( -3.913 -3.390 -2.370) 5.694 10.804 ( 2.802 -6.602 2.488) 7.591 10.860 ( 1.831 -3.678 -1.561) 4.395 10.962 ( -3.674 -4.183 0.967) 5.651 10.995 ( -4.902 -5.805 -1.550) 7.754 11.641 ( 6.455 17.448 3.523) 18.934 11.719 ( 5.539 13.118 -2.458) 14.450 12.061 ( -10.219 8.321 0.231) 13.181 12.080 ( -12.165 9.938 -1.277) 15.760 12.573 ( 4.179 -5.028 1.255) 6.658 12.625 ( 6.863 -5.493 -3.022) 9.295 12.681 ( 0.243 -6.462 3.485) 7.346 12.762 ( 2.584 -6.424 -2.183) 7.260 12.977 ( 3.029 -2.188 0.191) 3.741 12.993 ( 1.012 -0.943 -0.892) 1.646 13.396 ( -17.350 2.151 1.039) 17.514 13.411 ( -16.518 2.053 0.298) 16.648 13.811 ( -0.522 -1.998 2.753) 3.442 13.854 ( 0.035 -0.045 2.488) 2.488 13.895 ( -0.286 -4.831 -0.824) 4.910 13.978 ( -1.826 -1.274 -4.442) 4.969 14.272 ( 2.077 -7.182 0.975) 7.539 14.293 ( 4.803 -7.465 0.509) 8.891 14.336 ( -0.854 -6.493 0.236) 6.554 14.419 ( -0.410 -6.866 -5.577) 8.855 14.571 ( 4.116 -18.304 3.211) 19.034 14.644 ( 8.056 -10.190 -2.582) 13.244 14.809 ( -3.621 -14.605 6.284) 16.306 14.913 ( 3.418 -15.109 -2.174) 15.642 15.153 ( -2.392 15.021 3.220) 15.548 15.238 ( 4.635 14.540 -3.054) 15.563 15.305 ( -4.528 0.327 2.860) 5.366 15.389 ( -2.489 3.437 -3.531) 5.520 15.719 ( 9.997 13.110 2.766) 16.717 15.791 ( 9.530 12.881 -2.734) 16.255 15.944 ( -1.717 6.449 2.805) 7.239 16.006 ( -1.905 8.939 -1.959) 9.347 17.041 ( 15.755 3.723 5.927) 17.239 17.201 ( 13.166 -2.349 -6.564) 14.898 17.609 ( -11.325 -12.736 3.356) 17.370 17.683 ( -6.647 -8.972 -3.295) 11.642 17.857 ( 3.192 -2.003 4.206) 5.647 17.974 ( 4.112 -3.076 -4.448) 6.794 18.141 ( -6.083 -8.100 1.877) 10.302 18.214 ( -3.360 -7.436 -3.900) 9.044 19.264 ( 5.047 11.310 3.901) 12.985 19.309 ( 2.110 2.483 -0.528) 3.300 19.425 ( -0.458 8.900 3.439) 9.552 19.520 ( -4.623 12.921 -3.467) 14.154 20.273 ( -2.347 1.525 6.762) 7.318 20.431 ( 6.395 -2.455 -5.059) 8.516 20.551 ( -11.304 10.058 8.272) 17.244 20.756 ( -6.043 0.101 -4.446) 7.503 20.951 ( 10.245 -9.281 -3.255) 14.202 21.042 ( -0.599 -8.603 -11.625) 14.475 21.302 ( -7.245 -11.103 2.397) 13.472 21.420 ( -6.341 -11.962 -6.493) 15.016 21.981 ( 5.421 -4.199 9.075) 11.374 22.015 ( 2.347 0.315 4.374) 4.974 22.192 ( -1.647 -5.224 2.237) 5.916 22.304 ( -2.250 -7.049 -4.647) 8.738 26.785 ( 5.109 8.185 0.605) 9.668 26.799 ( 5.826 8.282 -0.306) 10.130 26.970 ( -3.158 9.681 0.403) 10.191 26.999 ( -3.003 9.578 -1.744) 10.189 27.590 ( 3.991 -7.395 1.333) 8.508 27.599 ( 4.211 -6.890 0.623) 8.099 27.870 ( -9.573 -5.890 -0.958) 11.280 27.874 ( -9.228 -4.999 -1.154) 10.558 28.626 ( 8.306 3.465 2.039) 9.228 28.681 ( 7.954 3.710 -2.278) 9.067 28.927 ( -2.306 0.446 1.134) 2.609 28.976 ( -2.731 1.853 -2.475) 4.125 29.282 ( 1.677 5.190 6.305) 8.337 29.365 ( -0.257 3.571 9.321) 9.985 29.446 ( 4.191 5.075 -6.599) 9.320 29.552 ( 1.179 3.685 -5.015) 6.334 30.137 ( 8.289 6.221 5.032) 11.521 30.274 ( 4.310 2.375 -5.806) 7.611 30.489 ( -1.413 0.445 2.355) 2.783 30.527 ( 4.954 0.393 0.647) 5.012 30.595 ( -2.524 -1.041 -1.370) 3.055 30.649 ( 4.843 -2.364 -5.168) 7.467 30.933 ( -7.872 -13.062 3.341) 15.612 30.960 ( -14.467 -17.992 0.409) 23.090 ======================= Grid point 101 (40/48) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( -14.107 18.773 11.617) 26.199 3.056 ( 14.107 18.773 11.617) 26.199 3.367 ( -6.854 18.626 -13.403) 23.948 3.367 ( 6.854 18.626 -13.403) 23.948 3.716 ( -10.828 6.912 1.899) 12.986 3.716 ( 10.828 6.912 1.899) 12.986 3.782 ( -4.576 3.073 -3.224) 6.386 3.782 ( 4.576 3.073 -3.224) 6.386 4.021 ( -7.837 2.618 3.105) 8.827 4.021 ( 7.837 2.618 3.105) 8.827 4.107 ( -6.176 3.166 -2.930) 7.533 4.107 ( 6.176 3.166 -2.930) 7.533 4.342 ( -3.986 17.532 4.138) 18.449 4.342 ( 3.986 17.532 4.138) 18.449 4.457 ( -2.188 10.544 -4.853) 11.811 4.457 ( 2.188 10.544 -4.853) 11.811 4.579 ( -2.577 -2.393 4.308) 5.561 4.579 ( 2.577 -2.393 4.308) 5.561 4.741 ( -2.308 0.686 -6.995) 7.398 4.741 ( 2.308 0.686 -6.995) 7.398 4.847 ( -5.379 0.777 10.716) 12.015 4.847 ( 5.379 0.777 10.716) 12.015 5.085 ( -5.327 5.010 -4.763) 8.728 5.085 ( 5.327 5.010 -4.763) 8.728 5.365 ( -6.967 -0.756 5.138) 8.689 5.365 ( 6.967 -0.756 5.138) 8.689 5.434 ( -4.782 -2.170 3.296) 6.200 5.434 ( 4.782 -2.170 3.296) 6.200 5.521 ( -6.880 -4.099 -2.293) 8.330 5.521 ( 6.880 -4.099 -2.293) 8.330 5.610 ( -6.501 2.692 1.167) 7.132 5.610 ( 6.501 2.692 1.167) 7.132 5.716 ( -8.925 -3.480 -6.705) 11.693 5.716 ( 8.925 -3.480 -6.705) 11.693 5.743 ( -1.711 1.018 -4.105) 4.562 5.743 ( 1.711 1.018 -4.105) 4.562 5.993 ( -5.301 1.692 5.816) 8.050 5.993 ( 5.301 1.692 5.816) 8.050 6.095 ( -3.438 1.637 -2.780) 4.715 6.095 ( 3.438 1.637 -2.780) 4.715 6.285 ( -6.026 -3.133 2.359) 7.190 6.285 ( 6.026 -3.133 2.359) 7.190 6.364 ( -4.162 5.086 -2.701) 7.105 6.364 ( 4.162 5.086 -2.701) 7.105 6.474 ( -4.992 5.438 2.891) 7.928 6.474 ( 4.992 5.438 2.891) 7.928 6.582 ( -8.261 15.229 -4.828) 17.985 6.582 ( 8.261 15.229 -4.828) 17.985 6.832 ( -5.846 7.553 6.628) 11.625 6.832 ( 5.846 7.553 6.628) 11.625 7.002 ( -2.487 5.216 -6.868) 8.976 7.002 ( 2.487 5.216 -6.868) 8.976 7.280 ( -4.963 15.143 4.620) 16.591 7.280 ( 4.963 15.143 4.620) 16.591 7.333 ( -0.986 8.397 1.073) 8.522 7.333 ( 0.986 8.397 1.073) 8.522 7.551 ( -2.631 1.311 1.014) 3.109 7.551 ( 2.631 1.311 1.014) 3.109 7.631 ( -1.722 -0.590 -2.518) 3.107 7.631 ( 1.722 -0.590 -2.518) 3.107 7.788 ( -7.170 -0.368 1.674) 7.372 7.788 ( 7.170 -0.368 1.674) 7.372 7.912 ( -5.072 -1.236 -7.340) 9.007 7.912 ( 5.072 -1.236 -7.340) 9.007 8.170 ( -2.648 13.135 3.876) 13.949 8.170 ( 2.648 13.135 3.876) 13.949 8.265 ( -1.668 14.116 -3.901) 14.740 8.265 ( 1.668 14.116 -3.901) 14.740 8.458 ( -1.936 -6.376 2.977) 7.298 8.458 ( 1.936 -6.376 2.977) 7.298 8.568 ( -1.658 -7.768 -4.931) 9.349 8.568 ( 1.658 -7.768 -4.931) 9.349 8.804 ( -5.586 -4.267 8.743) 11.218 8.804 ( 5.586 -4.267 8.743) 11.218 8.915 ( -3.774 -6.283 -0.109) 7.330 8.915 ( 3.774 -6.283 -0.109) 7.330 9.083 ( -5.406 3.450 4.434) 7.796 9.083 ( 5.406 3.450 4.434) 7.796 9.225 ( -4.084 -0.563 -5.227) 6.657 9.225 ( 4.084 -0.563 -5.227) 6.657 9.470 ( -5.875 -2.105 4.262) 7.557 9.470 ( 5.875 -2.105 4.262) 7.557 9.597 ( -0.474 -8.108 -5.353) 9.727 9.597 ( 0.474 -8.108 -5.353) 9.727 9.839 ( -15.673 -0.491 2.140) 15.826 9.839 ( 15.673 -0.491 2.140) 15.826 9.910 ( -12.545 0.715 -3.616) 13.075 9.910 ( 12.545 0.715 -3.616) 13.075 10.213 ( -3.712 -1.205 7.739) 8.667 10.213 ( 3.712 -1.205 7.739) 8.667 10.373 ( -0.303 -2.918 -4.542) 5.407 10.373 ( 0.303 -2.918 -4.542) 5.407 10.565 ( -3.525 -6.331 1.362) 7.373 10.565 ( 3.525 -6.331 1.362) 7.373 10.634 ( -1.428 -3.421 -3.642) 5.197 10.634 ( 1.428 -3.421 -3.642) 5.197 10.867 ( -2.831 -7.203 2.361) 8.092 10.867 ( 2.831 -7.203 2.361) 8.092 10.924 ( -1.694 -5.404 -2.093) 6.038 10.924 ( 1.694 -5.404 -2.093) 6.038 11.801 ( -7.185 13.642 3.276) 15.763 11.801 ( 7.185 13.642 3.276) 15.763 11.888 ( -4.978 13.460 -3.730) 14.828 11.888 ( 4.978 13.460 -3.730) 14.828 12.650 ( -2.985 -7.367 3.932) 8.868 12.650 ( 2.985 -7.367 3.932) 8.868 12.749 ( -4.141 -7.365 -4.217) 9.444 12.749 ( 4.141 -7.365 -4.217) 9.444 13.106 ( -8.054 0.699 0.981) 8.144 13.106 ( 8.054 0.699 0.981) 8.144 13.130 ( -8.934 2.850 -0.467) 9.389 13.130 ( 8.934 2.850 -0.467) 9.389 13.824 ( -1.690 -2.295 4.142) 5.028 13.824 ( 1.690 -2.295 4.142) 5.028 13.932 ( -2.673 -2.091 -3.925) 5.189 13.932 ( 2.673 -2.091 -3.925) 5.189 14.294 ( -1.024 -9.643 2.095) 9.921 14.294 ( 1.024 -9.643 2.095) 9.921 14.383 ( -2.821 -8.887 -4.559) 10.379 14.383 ( 2.821 -8.887 -4.559) 10.379 14.693 ( -7.374 -14.807 6.801) 17.885 14.693 ( 7.374 -14.807 6.801) 17.885 14.834 ( -9.471 -9.312 -4.854) 14.141 14.834 ( 9.471 -9.312 -4.854) 14.141 15.204 ( -5.566 6.856 5.011) 10.153 15.204 ( 5.566 6.856 5.011) 10.153 15.326 ( -4.044 8.405 -4.656) 10.425 15.326 ( 4.044 8.405 -4.656) 10.425 15.869 ( -5.147 9.274 3.195) 11.077 15.869 ( 5.147 9.274 3.195) 11.077 15.943 ( -4.826 10.394 -2.576) 11.745 15.943 ( 4.826 10.394 -2.576) 11.745 17.343 ( -14.693 -9.756 5.215) 18.392 17.343 ( 14.693 -9.756 5.215) 18.392 17.472 ( -13.139 -9.117 -4.626) 16.648 17.472 ( 13.139 -9.117 -4.626) 16.648 17.989 ( -8.483 -2.932 3.178) 9.522 17.989 ( 8.483 -2.932 3.178) 9.522 18.101 ( -7.432 -2.031 -5.613) 9.532 18.101 ( 7.432 -2.031 -5.613) 9.532 19.366 ( -5.002 9.985 2.906) 11.540 19.366 ( 5.002 9.985 2.906) 11.540 19.403 ( -6.562 8.918 -0.294) 11.076 19.403 ( 6.562 8.918 -0.294) 11.076 20.331 ( -8.760 7.286 9.293) 14.703 20.331 ( 8.760 7.286 9.293) 14.703 20.580 ( -9.783 3.716 -9.715) 14.279 20.580 ( 9.783 3.716 -9.715) 14.279 21.114 ( -8.988 -14.072 3.124) 16.987 21.114 ( 8.988 -14.072 3.124) 16.987 21.250 ( -10.629 -11.036 -8.824) 17.681 21.250 ( 10.629 -11.036 -8.824) 17.681 22.054 ( -1.892 -2.652 9.187) 9.748 22.054 ( 1.892 -2.652 9.187) 9.748 22.212 ( -5.385 -5.875 -4.330) 9.070 22.212 ( 5.385 -5.875 -4.330) 9.070 26.872 ( -2.247 8.300 1.926) 8.811 26.872 ( 2.247 8.300 1.926) 8.811 26.929 ( -2.713 7.356 -2.622) 8.268 26.929 ( 2.713 7.356 -2.622) 8.268 27.666 ( -0.972 -6.515 3.403) 7.415 27.666 ( 0.972 -6.515 3.403) 7.415 27.750 ( -0.765 -4.621 -3.322) 5.743 27.750 ( 0.765 -4.621 -3.322) 5.743 28.798 ( -8.261 3.647 1.901) 9.228 28.798 ( 8.261 3.647 1.901) 9.228 28.851 ( -7.970 4.156 -2.379) 9.298 28.851 ( 7.970 4.156 -2.379) 9.298 29.333 ( -2.661 4.826 8.455) 10.093 29.333 ( 2.661 4.826 8.455) 10.093 29.527 ( -3.338 6.043 -7.094) 9.899 29.527 ( 3.338 6.043 -7.094) 9.899 30.347 ( -6.632 -4.527 2.930) 8.547 30.347 ( 6.632 -4.527 2.930) 8.547 30.435 ( -5.720 -4.500 -4.468) 8.540 30.435 ( 5.720 -4.500 -4.468) 8.540 30.689 ( -8.164 -3.741 5.308) 10.431 30.689 ( 8.164 -3.741 5.308) 10.431 30.799 ( -6.225 -4.966 -3.815) 8.830 30.799 ( 6.225 -4.966 -3.815) 8.830 ======================= Grid point 105 (41/48) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 0.000 27.627 20.073) 34.150 3.086 ( 0.000 16.152 8.223) 18.124 3.282 ( 0.000 17.950 -7.312) 19.383 3.510 ( 0.000 9.865 -11.516) 15.163 3.515 ( 0.000 19.287 5.640) 20.095 3.662 ( 0.000 11.375 -5.488) 12.630 3.776 ( 0.000 -3.380 -4.617) 5.722 3.808 ( 0.000 -1.331 -10.058) 10.146 4.011 ( 0.000 -4.134 6.640) 7.821 4.160 ( 0.000 -7.860 4.060) 8.847 4.165 ( 0.000 7.478 -0.752) 7.515 4.190 ( 0.000 -1.212 2.555) 2.828 4.236 ( 0.000 -5.904 -2.518) 6.418 4.458 ( 0.000 -6.927 -16.595) 17.983 4.633 ( 0.000 -4.227 6.845) 8.045 4.724 ( 0.000 9.210 7.231) 11.709 4.728 ( 0.000 12.627 2.515) 12.875 4.746 ( 0.000 -4.397 -1.496) 4.645 4.782 ( 0.000 1.991 8.010) 8.254 4.836 ( 0.000 -0.552 -4.792) 4.823 4.927 ( 0.000 3.863 -7.161) 8.136 4.955 ( 0.000 2.908 0.516) 2.953 5.002 ( 0.000 -0.918 -4.150) 4.251 5.012 ( 0.000 -2.640 -1.800) 3.195 5.108 ( 0.000 11.894 0.603) 11.909 5.184 ( 0.000 5.684 -3.640) 6.750 5.212 ( 0.000 1.986 3.261) 3.818 5.339 ( 0.000 0.209 -7.062) 7.065 5.467 ( 0.000 -4.687 6.276) 7.833 5.524 ( 0.000 3.699 0.608) 3.749 5.623 ( 0.000 -2.244 3.365) 4.044 5.672 ( 0.000 0.287 -0.368) 0.467 5.741 ( 0.000 12.228 4.467) 13.019 5.796 ( 0.000 9.257 -1.375) 9.359 5.804 ( 0.000 -3.052 12.206) 12.582 5.939 ( 0.000 4.326 6.073) 7.456 5.973 ( 0.000 1.996 2.021) 2.841 5.992 ( 0.000 -7.858 2.144) 8.146 6.043 ( 0.000 1.878 -1.718) 2.545 6.076 ( 0.000 -7.877 -7.430) 10.829 6.132 ( 0.000 1.894 -2.763) 3.350 6.172 ( 0.000 14.276 -7.297) 16.033 6.228 ( 0.000 -0.342 4.278) 4.291 6.302 ( 0.000 -10.195 3.485) 10.774 6.410 ( 0.000 -7.399 -4.670) 8.749 6.465 ( 0.000 -4.943 -10.623) 11.717 6.790 ( 0.000 -11.180 0.276) 11.184 6.806 ( 0.000 4.370 8.721) 9.755 6.846 ( 0.000 -10.273 -2.808) 10.650 6.914 ( 0.000 -5.268 0.904) 5.345 7.022 ( 0.000 -6.777 6.604) 9.463 7.139 ( 0.000 -14.986 0.360) 14.990 7.290 ( 0.000 1.410 0.438) 1.477 7.310 ( 0.000 2.506 0.067) 2.506 7.396 ( 0.000 2.772 -8.049) 8.513 7.425 ( 0.000 -5.984 -5.460) 8.100 7.516 ( 0.000 -0.412 6.890) 6.903 7.624 ( 0.000 -4.247 1.911) 4.657 7.653 ( 0.000 3.002 -3.892) 4.915 7.673 ( 0.000 -10.188 -1.328) 10.274 7.944 ( 0.000 15.708 3.439) 16.080 7.997 ( 0.000 17.729 1.584) 17.800 8.087 ( 0.000 -3.061 6.128) 6.849 8.175 ( 0.000 10.666 -5.570) 12.033 8.209 ( 0.000 -3.558 -4.700) 5.894 8.247 ( 0.000 -2.878 -6.505) 7.113 8.403 ( 0.000 -4.295 1.854) 4.678 8.484 ( 0.000 21.387 5.676) 22.128 8.486 ( 0.000 -7.915 -4.760) 9.236 8.604 ( 0.000 24.263 -3.854) 24.568 8.634 ( 0.000 14.928 7.479) 16.696 8.758 ( 0.000 -1.622 2.893) 3.317 8.781 ( 0.000 23.013 4.771) 23.502 8.825 ( 0.000 -1.656 -2.306) 2.839 8.837 ( 0.000 9.494 -0.704) 9.520 8.902 ( 0.000 27.362 -5.234) 27.858 8.955 ( 0.000 4.175 4.554) 6.179 9.017 ( 0.000 11.561 -0.682) 11.581 9.045 ( 0.000 6.380 -2.444) 6.832 9.064 ( 0.000 -1.202 -4.463) 4.622 9.394 ( 0.000 -9.581 4.832) 10.730 9.489 ( 0.000 -7.653 -2.440) 8.032 9.592 ( 0.000 0.510 14.491) 14.500 9.812 ( 0.000 -12.976 3.099) 13.341 9.821 ( 0.000 -17.723 0.739) 17.739 9.880 ( 0.000 0.349 -3.244) 3.262 9.893 ( 0.000 -10.732 1.666) 10.860 9.934 ( 0.000 4.711 -1.425) 4.922 9.992 ( 0.000 2.943 -10.499) 10.904 10.041 ( 0.000 1.274 -7.594) 7.701 10.333 ( 0.000 -5.599 5.651) 7.955 10.413 ( 0.000 -1.968 5.315) 5.667 10.439 ( 0.000 -10.502 -2.273) 10.745 10.478 ( 0.000 -7.836 -1.047) 7.905 10.493 ( 0.000 -14.930 -1.770) 15.035 10.495 ( 0.000 -2.320 -1.746) 2.904 10.932 ( 0.000 5.183 1.634) 5.434 10.978 ( 0.000 7.145 -2.077) 7.440 11.051 ( 0.000 -2.448 4.748) 5.342 11.153 ( 0.000 -2.277 -3.568) 4.233 11.903 ( 0.000 19.005 0.930) 19.027 11.915 ( 0.000 21.988 0.152) 21.988 12.271 ( 0.000 -3.752 3.121) 4.881 12.349 ( 0.000 -3.569 -3.033) 4.684 12.449 ( 0.000 3.015 0.023) 3.015 12.461 ( 0.000 2.407 -0.921) 2.577 12.572 ( 0.000 -2.416 -0.069) 2.417 12.577 ( 0.000 -2.731 -0.342) 2.752 12.930 ( 0.000 -3.344 0.619) 3.401 12.946 ( 0.000 -3.805 -0.545) 3.844 13.545 ( 0.000 -26.139 2.021) 26.217 13.582 ( 0.000 -27.346 -0.739) 27.356 13.775 ( 0.000 0.140 -2.156) 2.160 13.808 ( 0.000 -0.597 -5.104) 5.138 13.819 ( 0.000 -3.355 -0.905) 3.475 13.887 ( 0.000 -6.175 -6.640) 9.067 14.105 ( 0.000 -0.697 5.749) 5.791 14.148 ( 0.000 -1.590 3.035) 3.426 14.193 ( 0.000 -8.214 6.647) 10.567 14.264 ( 0.000 -9.167 2.489) 9.499 14.524 ( 0.000 -0.409 0.287) 0.500 14.557 ( 0.000 1.589 1.672) 2.306 14.573 ( 0.000 -3.399 -2.765) 4.382 14.626 ( 0.000 -1.259 -3.442) 3.665 15.484 ( 0.000 11.816 3.496) 12.323 15.517 ( 0.000 10.742 0.902) 10.780 15.538 ( 0.000 11.780 -0.750) 11.803 15.574 ( 0.000 10.953 -3.735) 11.573 15.580 ( 0.000 11.491 3.548) 12.026 15.674 ( 0.000 9.841 -3.784) 10.543 15.971 ( 0.000 -4.025 4.248) 5.852 16.066 ( 0.000 -5.554 -3.367) 6.495 17.093 ( 0.000 17.909 4.468) 18.458 17.221 ( 0.000 19.154 -5.844) 20.025 17.644 ( 0.000 -1.118 1.158) 1.610 17.676 ( 0.000 -6.877 -1.328) 7.004 17.826 ( 0.000 -7.492 2.549) 7.914 17.849 ( 0.000 -9.397 4.201) 10.293 17.868 ( 0.000 -11.603 -0.976) 11.644 17.955 ( 0.000 -14.006 -4.215) 14.626 19.293 ( 0.000 2.292 1.177) 2.577 19.346 ( 0.000 7.002 -3.552) 7.852 19.701 ( 0.000 22.309 12.376) 25.511 19.730 ( 0.000 -19.165 5.522) 19.945 19.905 ( 0.000 -20.431 -9.356) 22.471 19.977 ( 0.000 23.966 -9.504) 25.782 20.567 ( 0.000 -19.328 15.360) 24.688 20.890 ( 0.000 -20.420 -10.463) 22.945 21.075 ( 0.000 13.811 -0.020) 13.811 21.149 ( 0.000 13.180 -6.601) 14.740 21.448 ( 0.000 -5.438 -1.454) 5.629 21.499 ( 0.000 -7.418 -4.833) 8.854 21.916 ( 0.000 -0.615 7.392) 7.418 21.981 ( 0.000 -3.464 9.645) 10.248 22.039 ( 0.000 -0.143 -3.035) 3.039 22.141 ( 0.000 -3.831 -4.327) 5.779 26.854 ( 0.000 10.590 0.264) 10.593 26.859 ( 0.000 10.556 -0.187) 10.558 27.287 ( 0.000 -12.020 0.218) 12.022 27.291 ( 0.000 -12.023 -0.058) 12.024 27.328 ( 0.000 15.864 1.131) 15.904 27.358 ( 0.000 16.424 -1.274) 16.473 27.959 ( 0.000 -16.443 0.935) 16.469 27.983 ( 0.000 -15.506 -0.998) 15.538 28.499 ( 0.000 2.238 2.293) 3.204 28.572 ( 0.000 1.335 -3.717) 3.949 28.591 ( 0.000 -2.782 1.909) 3.374 28.642 ( 0.000 -2.446 -2.214) 3.299 29.439 ( 0.000 4.592 4.636) 6.525 29.471 ( 0.000 4.744 8.591) 9.814 29.550 ( 0.000 7.053 -4.211) 8.215 29.639 ( 0.000 5.883 -4.731) 7.549 30.373 ( 0.000 8.307 0.620) 8.330 30.385 ( 0.000 0.357 0.601) 0.699 30.401 ( 0.000 0.810 -0.664) 1.048 30.452 ( 0.000 3.970 -6.190) 7.354 30.658 ( 0.000 2.419 1.338) 2.764 30.690 ( 0.000 3.582 -1.228) 3.786 30.773 ( 0.000 -11.231 4.905) 12.255 30.838 ( 0.000 -16.366 -0.983) 16.396 ======================= Grid point 106 (42/48) ======================= q-point: ( 0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 4.925 24.352 15.247) 29.150 3.235 ( 11.716 13.841 10.414) 20.912 3.345 ( 6.192 15.743 -6.311) 18.056 3.552 ( 5.606 15.996 1.138) 16.988 3.605 ( 7.053 10.741 -6.986) 14.626 3.722 ( 5.838 9.922 -6.494) 13.218 3.755 ( -3.161 4.580 -5.218) 7.629 3.785 ( -1.781 -3.012 -4.008) 5.321 4.015 ( 0.671 -7.803 2.962) 8.373 4.107 ( -1.524 -3.444 -2.149) 4.336 4.204 ( 1.218 -2.052 5.981) 6.439 4.225 ( 4.182 -1.332 2.277) 4.944 4.319 ( 6.114 2.913 -3.892) 7.811 4.407 ( -3.632 -4.203 -9.120) 10.679 4.565 ( -5.621 -2.274 1.940) 6.366 4.610 ( -6.291 -1.368 -0.728) 6.479 4.710 ( -1.691 9.651 1.927) 9.986 4.779 ( 0.534 3.109 -3.005) 4.357 4.794 ( 1.830 4.716 4.275) 6.623 4.838 ( -3.084 -0.117 -1.404) 3.390 4.955 ( 0.985 4.209 2.880) 5.194 5.029 ( 5.755 3.353 -0.500) 6.679 5.060 ( 3.865 -6.592 -2.828) 8.148 5.078 ( 6.041 5.337 0.793) 8.100 5.146 ( 5.705 5.568 1.152) 8.054 5.182 ( -2.218 7.338 2.770) 8.151 5.222 ( 4.954 3.062 -2.669) 6.406 5.315 ( -0.356 2.055 -6.371) 6.704 5.485 ( -2.591 -3.877 3.795) 6.012 5.497 ( 0.410 0.723 5.382) 5.446 5.570 ( -4.213 -2.160 -1.959) 5.124 5.627 ( 0.417 6.376 -0.779) 6.437 5.688 ( -3.931 -2.725 3.131) 5.716 5.792 ( -5.279 7.812 7.100) 11.802 5.831 ( -4.047 6.454 -1.436) 7.753 5.939 ( -3.190 -1.060 1.507) 3.683 5.973 ( 0.606 3.530 4.968) 6.125 6.019 ( 2.410 0.508 1.327) 2.798 6.069 ( 4.623 -7.601 0.875) 8.939 6.096 ( 2.705 -2.750 -4.106) 5.634 6.141 ( 3.168 1.133 -5.392) 6.355 6.184 ( 2.551 1.058 -4.130) 4.968 6.255 ( 4.685 6.925 1.331) 8.466 6.359 ( 0.524 0.403 -4.686) 4.733 6.405 ( 4.166 -8.772 3.433) 10.300 6.550 ( 5.613 -6.798 -4.726) 10.003 6.725 ( -4.303 -1.158 6.194) 7.630 6.827 ( -5.552 -3.079 4.275) 7.654 6.887 ( 4.962 -9.043 0.029) 10.315 6.894 ( 3.827 -5.444 -0.652) 6.686 7.009 ( -3.411 -6.192 0.428) 7.083 7.130 ( -2.027 -4.881 -7.903) 9.507 7.172 ( -2.351 -4.075 3.078) 5.622 7.278 ( -0.682 -3.202 -4.068) 5.222 7.368 ( -3.379 -1.339 3.655) 5.155 7.455 ( -1.109 -2.273 -4.696) 5.334 7.507 ( 1.174 -1.023 5.732) 5.940 7.594 ( 1.040 1.730 -1.346) 2.426 7.770 ( 5.915 -4.886 1.133) 7.755 7.829 ( 6.785 0.295 -3.902) 7.833 7.882 ( -1.672 7.570 1.313) 7.863 7.951 ( -2.322 13.308 -3.404) 13.931 8.103 ( -1.071 0.733 1.844) 2.255 8.148 ( -3.130 7.150 2.239) 8.120 8.187 ( -2.225 1.082 -1.375) 2.831 8.283 ( 0.293 5.553 -4.857) 7.383 8.402 ( 1.325 7.974 3.781) 8.924 8.463 ( -1.964 2.246 0.672) 3.058 8.493 ( -0.681 -4.961 -0.063) 5.008 8.569 ( 0.440 14.906 4.333) 15.529 8.637 ( -0.856 7.022 -7.278) 10.150 8.699 ( -0.161 16.121 -2.305) 16.286 8.739 ( -3.449 14.076 6.123) 15.733 8.812 ( -1.790 10.523 2.827) 11.042 8.883 ( 3.720 15.326 2.234) 15.928 8.937 ( -1.014 17.679 0.318) 17.711 9.019 ( 1.958 4.575 -1.847) 5.308 9.050 ( 5.116 1.627 -2.606) 5.967 9.102 ( 8.078 6.268 -0.056) 10.225 9.160 ( 9.525 1.888 -4.042) 10.518 9.396 ( -2.333 -5.548 3.592) 7.009 9.421 ( -4.031 -7.568 1.177) 8.655 9.600 ( -0.799 -3.894 8.455) 9.343 9.719 ( -9.374 -10.542 -1.514) 14.188 9.743 ( -10.593 2.825 1.372) 11.049 9.793 ( -4.370 0.402 -2.715) 5.161 9.850 ( 3.324 -12.496 2.823) 13.235 10.019 ( 4.677 -7.575 -5.123) 10.272 10.028 ( 3.159 0.471 -1.527) 3.540 10.139 ( 5.789 -1.504 -5.303) 7.994 10.300 ( -0.909 -6.645 1.570) 6.888 10.336 ( -3.450 -8.604 -0.816) 9.306 10.448 ( -1.879 -2.193 4.046) 4.971 10.456 ( -0.785 -9.039 2.419) 9.390 10.515 ( 2.495 -14.570 -2.304) 14.960 10.565 ( 2.510 -3.557 -2.061) 4.817 10.885 ( -5.950 3.830 0.714) 7.112 10.901 ( -5.999 4.799 -0.080) 7.682 11.005 ( -4.203 -1.119 2.006) 4.790 11.069 ( -7.503 -1.785 -2.576) 8.131 11.917 ( 1.158 15.475 0.904) 15.544 11.935 ( 1.804 20.539 -0.495) 20.624 12.238 ( -2.757 -1.166 3.296) 4.452 12.321 ( -2.665 0.392 -3.575) 4.476 12.461 ( 0.065 -1.757 0.288) 1.781 12.487 ( 2.463 0.512 -1.570) 2.965 12.582 ( 1.013 -2.434 1.801) 3.193 12.625 ( 3.682 -2.156 -1.152) 4.419 12.912 ( -0.358 -0.499 1.079) 1.242 12.938 ( -0.189 -2.050 -0.839) 2.223 13.537 ( -2.775 -20.272 1.276) 20.501 13.558 ( -2.181 -20.205 0.254) 20.324 13.738 ( -0.583 -2.396 -2.093) 3.235 13.763 ( -1.250 -5.123 -4.240) 6.766 13.896 ( 2.275 -1.531 0.677) 2.825 13.953 ( 4.443 -3.160 -4.292) 6.940 14.082 ( -2.824 -2.620 4.958) 6.279 14.185 ( 2.010 0.315 -1.647) 2.618 14.235 ( 1.164 -8.354 6.133) 10.429 14.273 ( -11.016 -0.620 2.642) 11.346 14.298 ( 1.224 -7.616 0.986) 7.777 14.403 ( -6.936 -2.659 -4.975) 8.941 14.628 ( -1.287 -7.670 0.960) 7.836 14.647 ( -2.001 -7.034 -0.179) 7.316 15.458 ( -1.139 12.430 2.245) 12.683 15.478 ( -1.757 12.550 1.136) 12.723 15.535 ( 0.130 13.655 0.065) 13.656 15.559 ( 1.567 11.894 -1.740) 12.122 15.733 ( 8.782 7.365 1.021) 11.507 15.791 ( 8.919 6.894 -3.165) 11.709 15.982 ( 0.967 -3.019 3.771) 4.926 16.069 ( 0.223 -4.489 -3.175) 5.502 17.079 ( -0.709 13.194 5.109) 14.167 17.227 ( 0.871 15.073 -6.733) 16.531 17.584 ( -8.859 -10.514 3.054) 14.084 17.644 ( -2.467 -3.800 -1.843) 4.891 17.779 ( -0.548 -3.880 2.869) 4.857 17.841 ( 3.316 -3.017 -1.804) 4.833 17.958 ( 3.824 -11.295 2.010) 12.093 18.014 ( 4.228 -11.255 -2.989) 12.389 19.324 ( 3.738 5.587 1.612) 6.913 19.384 ( 4.281 10.183 -3.634) 11.629 19.709 ( 1.289 19.839 10.431) 22.451 19.857 ( 9.137 -11.960 3.932) 15.556 19.950 ( 3.298 7.272 -6.342) 10.197 20.050 ( 8.863 -9.049 -7.288) 14.614 20.554 ( -0.602 -16.454 14.420) 21.887 20.863 ( -2.834 -16.588 -10.686) 19.934 20.960 ( -11.086 9.172 2.380) 14.583 21.069 ( -7.201 5.170 -5.452) 10.407 21.342 ( -12.400 -7.218 -3.780) 14.838 21.385 ( -9.040 -2.441 -8.204) 12.449 21.841 ( -0.334 -3.225 11.373) 11.826 22.019 ( 3.001 1.132 2.166) 3.870 22.102 ( 2.307 -4.011 0.672) 4.675 22.212 ( 4.241 -0.995 -2.510) 5.028 26.880 ( 2.356 9.728 0.054) 10.010 26.883 ( 2.602 9.706 -0.093) 10.049 27.209 ( -5.220 1.153 0.225) 5.350 27.221 ( -4.623 -0.805 -0.766) 4.755 27.398 ( 4.068 1.611 1.592) 4.656 27.417 ( 4.013 3.809 0.063) 5.533 27.872 ( -7.389 -12.815 0.010) 14.793 27.894 ( -7.509 -11.829 -1.587) 14.101 28.554 ( 5.608 3.070 2.289) 6.791 28.614 ( 5.445 2.758 -2.184) 6.483 28.721 ( 10.079 -5.673 1.188) 11.627 28.772 ( 11.135 -5.447 -2.507) 12.647 29.402 ( -3.590 4.603 4.635) 7.454 29.460 ( -1.393 4.237 7.806) 8.990 29.519 ( -2.848 6.025 -3.354) 7.461 29.641 ( 0.036 4.585 -5.240) 6.963 30.324 ( -3.212 6.923 0.229) 7.635 30.358 ( -2.608 2.233 -2.141) 4.046 30.432 ( 2.930 0.552 1.861) 3.515 30.492 ( 2.480 0.631 -3.223) 4.115 30.611 ( -3.710 -0.870 1.592) 4.130 30.667 ( -2.341 0.950 -3.134) 4.025 30.798 ( 0.817 -8.580 2.567) 8.993 30.821 ( -0.907 -8.009 0.925) 8.114 ======================= Grid point 107 (43/48) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 8.741 19.661 12.312) 24.790 3.420 ( 3.697 9.435 9.528) 13.910 3.498 ( 9.187 10.285 -7.953) 15.919 3.669 ( 1.150 8.042 -0.164) 8.125 3.708 ( 1.514 6.548 -8.709) 11.001 3.752 ( 3.990 4.297 -1.725) 6.112 3.770 ( 8.688 8.426 -1.288) 12.171 3.867 ( 7.508 8.637 -8.398) 14.195 4.010 ( -1.561 -2.503 2.902) 4.138 4.085 ( -1.699 -0.617 -3.124) 3.609 4.221 ( -1.020 -3.149 4.180) 5.332 4.284 ( -4.441 1.926 -0.057) 4.841 4.334 ( 3.116 1.383 3.254) 4.713 4.447 ( 2.822 -3.229 -6.307) 7.626 4.492 ( -1.129 -4.516 -2.385) 5.230 4.503 ( -2.495 0.243 -2.486) 3.530 4.699 ( 1.284 12.677 0.826) 12.768 4.759 ( -2.355 3.387 2.151) 4.652 4.775 ( -1.265 0.646 -0.414) 1.480 4.828 ( 0.471 6.260 0.099) 6.279 4.948 ( -1.654 2.220 7.888) 8.360 5.031 ( -3.830 6.382 9.103) 11.758 5.116 ( 0.202 5.067 -1.582) 5.312 5.188 ( 6.419 0.348 1.470) 6.594 5.221 ( 8.247 -0.530 4.790) 9.552 5.258 ( -3.157 1.833 -0.557) 3.693 5.342 ( 8.731 2.298 -2.048) 9.258 5.355 ( 3.016 -0.060 -4.716) 5.599 5.448 ( -0.773 -2.400 1.547) 2.958 5.509 ( 3.419 -1.950 3.522) 5.281 5.559 ( -3.544 -6.734 -2.058) 7.883 5.615 ( -2.961 6.409 3.517) 7.888 5.634 ( -0.444 -3.909 -1.307) 4.145 5.657 ( -0.656 -1.202 -3.991) 4.219 5.728 ( -3.877 2.152 -8.602) 9.678 5.817 ( -6.760 2.176 -6.816) 9.843 5.989 ( 0.522 1.127 7.404) 7.508 6.048 ( -0.156 1.048 4.364) 4.491 6.099 ( -0.956 -0.965 -0.871) 1.614 6.161 ( -3.457 -0.700 -5.589) 6.609 6.177 ( 3.347 -2.550 0.362) 4.223 6.251 ( 7.405 -0.656 -2.795) 7.942 6.382 ( -0.228 1.903 4.145) 4.567 6.432 ( 4.515 1.045 6.770) 8.205 6.489 ( 6.874 7.904 -0.496) 10.486 6.587 ( -0.399 -1.066 -3.110) 3.312 6.661 ( -3.119 -3.005 5.689) 7.150 6.780 ( 5.977 2.686 1.272) 6.675 6.812 ( -7.439 -4.414 -4.084) 9.565 6.963 ( -1.164 -3.309 -12.416) 12.902 7.042 ( 6.342 -1.891 4.504) 8.005 7.196 ( 4.832 -4.950 -6.628) 9.580 7.215 ( 5.425 0.090 4.371) 6.968 7.310 ( 2.677 -4.807 -2.319) 5.971 7.348 ( 3.999 -5.472 4.525) 8.149 7.427 ( 1.630 -5.088 -1.926) 5.680 7.518 ( -2.500 0.544 7.194) 7.636 7.640 ( 3.330 8.422 -1.503) 9.181 7.722 ( -7.779 9.320 -1.154) 12.195 7.763 ( -3.939 8.427 -2.131) 9.543 7.865 ( -8.379 -2.966 0.272) 8.892 7.944 ( -4.235 -0.238 -4.661) 6.302 7.998 ( -8.892 7.670 1.951) 11.904 8.064 ( -8.033 4.502 -3.381) 9.810 8.191 ( 6.990 -6.178 5.126) 10.645 8.303 ( 6.358 2.284 -0.472) 6.773 8.424 ( -0.605 1.328 0.681) 1.610 8.483 ( 0.139 -2.126 -0.337) 2.157 8.534 ( 5.558 6.279 3.990) 9.287 8.572 ( 0.033 12.403 6.094) 13.819 8.630 ( -0.710 14.294 -4.477) 14.995 8.692 ( 1.904 13.610 1.444) 13.818 8.738 ( 1.107 7.955 -2.373) 8.375 8.791 ( -0.371 9.278 -5.994) 11.051 8.876 ( -5.353 14.566 3.378) 15.882 8.901 ( -0.604 16.779 1.129) 16.828 9.058 ( 2.672 1.869 1.219) 3.481 9.139 ( 1.947 -0.408 -2.346) 3.076 9.273 ( 5.249 -0.917 1.793) 5.622 9.303 ( -0.726 5.175 -0.820) 5.290 9.345 ( 0.724 -2.712 5.764) 6.411 9.408 ( 2.680 -4.833 -1.011) 5.618 9.495 ( -6.525 -3.952 1.997) 7.886 9.585 ( -0.420 -3.598 0.421) 3.647 9.597 ( -2.193 1.063 -1.731) 2.990 9.748 ( 1.193 2.372 -7.807) 8.247 9.940 ( 2.016 -10.546 3.957) 11.443 10.048 ( -2.622 -6.919 -5.163) 9.022 10.093 ( 3.703 -3.713 7.246) 8.945 10.204 ( 1.635 -7.866 -2.268) 8.348 10.296 ( -0.943 -2.470 -0.412) 2.676 10.311 ( -1.656 -4.136 -1.732) 4.780 10.414 ( 0.043 -3.468 6.040) 6.965 10.440 ( -0.363 -11.076 2.684) 11.402 10.555 ( 1.242 -9.376 -3.928) 10.241 10.570 ( -0.986 -4.355 -3.640) 5.761 10.740 ( -5.013 0.955 3.013) 5.926 10.817 ( -2.930 0.371 -2.556) 3.906 10.892 ( -7.643 -3.377 0.763) 8.390 10.927 ( -6.184 -1.889 -1.214) 6.579 11.952 ( 2.833 11.061 0.903) 11.454 11.978 ( 2.942 15.311 -0.996) 15.622 12.167 ( -4.895 2.551 1.515) 5.724 12.228 ( -6.801 5.073 -3.684) 9.250 12.475 ( 1.631 -4.714 2.674) 5.660 12.540 ( 2.437 -2.643 -0.818) 3.687 12.587 ( -0.249 -3.724 1.763) 4.127 12.665 ( -0.010 -3.344 -2.448) 4.144 12.982 ( 7.699 4.297 0.560) 8.835 12.986 ( 6.599 3.005 0.284) 7.257 13.415 ( -9.563 -1.993 0.998) 9.820 13.462 ( -9.240 -1.011 -2.166) 9.544 13.735 ( -0.243 -10.348 1.314) 10.434 13.791 ( 3.322 -9.477 -2.346) 10.312 13.824 ( -6.588 1.123 4.863) 8.265 13.941 ( -6.939 -3.220 -3.992) 8.629 14.038 ( 1.062 -11.452 1.548) 11.605 14.089 ( -0.857 -7.570 -0.546) 7.638 14.198 ( -4.879 -7.506 1.115) 9.021 14.261 ( -5.527 -8.123 -2.111) 10.049 14.352 ( 6.825 -2.369 1.578) 7.395 14.430 ( 9.515 -7.434 -3.152) 12.479 14.572 ( -2.613 -8.599 3.901) 9.798 14.648 ( 1.361 -11.812 -2.109) 12.076 15.433 ( -0.949 13.209 3.980) 13.828 15.463 ( -1.101 12.684 3.723) 13.264 15.546 ( 0.923 14.545 -2.463) 14.781 15.580 ( 0.260 12.580 -3.474) 13.053 15.881 ( 6.275 2.949 2.114) 7.249 15.945 ( 6.086 2.553 -1.823) 6.846 15.999 ( 0.743 -0.909 1.987) 2.308 16.070 ( -0.318 -2.243 -2.908) 3.686 17.097 ( 3.171 4.298 6.072) 8.087 17.268 ( 3.671 6.213 -7.377) 10.320 17.389 ( -10.256 -8.780 5.598) 14.615 17.532 ( -7.881 -5.807 -5.602) 11.279 17.837 ( 5.099 -0.103 4.272) 6.653 17.938 ( 5.457 -1.538 -2.895) 6.366 17.994 ( 0.099 -6.624 2.324) 7.020 18.073 ( 1.242 -7.302 -3.519) 8.201 19.448 ( 9.013 12.325 2.206) 15.427 19.506 ( 7.936 14.993 -2.547) 17.154 19.724 ( -1.003 19.732 6.904) 20.929 19.854 ( -6.577 19.494 -3.610) 20.888 20.142 ( 11.032 -12.911 5.345) 17.803 20.257 ( 13.029 -14.053 -4.052) 19.587 20.590 ( 1.899 -12.868 8.973) 15.802 20.702 ( -11.520 3.895 5.434) 13.320 20.794 ( -5.510 -15.074 -6.576) 17.344 20.912 ( -6.437 -1.718 -6.932) 9.615 21.092 ( -11.726 -10.411 -4.068) 16.200 21.187 ( -9.995 -8.117 -8.275) 15.306 21.929 ( 7.621 -0.872 7.482) 10.715 22.058 ( 1.178 2.301 0.201) 2.593 22.124 ( 0.096 -2.052 2.752) 3.434 22.228 ( -2.741 -1.383 -2.630) 4.042 26.937 ( 3.612 7.696 0.495) 8.516 26.953 ( 4.330 7.726 -0.704) 8.885 27.110 ( -5.009 3.587 0.465) 6.178 27.132 ( -4.592 2.882 -1.361) 5.589 27.473 ( 3.866 -3.050 2.995) 5.764 27.494 ( 3.838 -2.491 1.691) 4.878 27.728 ( -6.803 -8.118 -1.543) 10.703 27.749 ( -6.904 -7.452 -2.754) 10.525 28.699 ( 8.887 4.243 2.367) 10.129 28.760 ( 9.145 4.722 -2.447) 10.579 28.888 ( 5.087 -4.215 2.451) 7.047 28.962 ( 5.615 -3.538 -3.259) 7.394 29.331 ( -2.297 2.340 5.234) 6.176 29.420 ( -2.145 1.275 6.121) 6.610 29.469 ( -1.230 1.135 -2.473) 2.986 29.622 ( -2.624 0.058 -6.593) 7.096 30.282 ( -0.417 6.397 1.275) 6.536 30.327 ( -0.083 2.544 -2.010) 3.243 30.441 ( -4.134 -3.679 1.386) 5.705 30.478 ( -4.174 -4.466 -1.064) 6.205 30.585 ( 2.668 1.352 2.183) 3.703 30.660 ( 2.771 2.930 -2.736) 4.873 30.771 ( -2.413 -3.579 1.716) 4.645 30.815 ( -1.195 -1.948 -0.886) 2.451 ======================= Grid point 108 (44/48) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( -6.756 12.904 9.003) 17.124 3.375 ( 6.756 12.904 9.003) 17.124 3.613 ( -4.124 6.250 -9.798) 12.331 3.613 ( 4.124 6.250 -9.798) 12.331 3.809 ( -4.877 3.794 2.364) 6.616 3.809 ( 4.877 3.794 2.364) 6.616 3.911 ( -1.119 9.327 -6.709) 11.543 3.911 ( 1.119 9.327 -6.709) 11.543 4.041 ( -9.403 1.514 5.167) 10.835 4.041 ( 9.403 1.514 5.167) 10.835 4.173 ( -7.195 3.079 -4.728) 9.143 4.173 ( 7.195 3.079 -4.728) 9.143 4.411 ( -3.766 -2.320 2.605) 5.133 4.411 ( 3.766 -2.320 2.605) 5.133 4.508 ( -0.493 -4.307 -4.983) 6.605 4.508 ( 0.493 -4.307 -4.983) 6.605 4.741 ( -1.362 8.323 2.452) 8.783 4.741 ( 1.362 8.323 2.452) 8.783 4.787 ( -3.575 3.910 -1.677) 5.557 4.787 ( 3.575 3.910 -1.677) 5.557 4.953 ( -3.109 10.774 13.105) 17.248 4.953 ( 3.109 10.774 13.105) 17.248 5.159 ( -4.563 1.415 0.487) 4.802 5.159 ( 4.563 1.415 0.487) 4.802 5.303 ( -4.886 -2.925 3.978) 6.946 5.303 ( 4.886 -2.925 3.978) 6.946 5.384 ( -9.041 -6.476 2.920) 11.498 5.384 ( 9.041 -6.476 2.920) 11.498 5.459 ( -2.429 0.668 -3.749) 4.517 5.459 ( 2.429 0.668 -3.749) 4.517 5.600 ( -3.647 -1.234 0.835) 3.940 5.600 ( 3.647 -1.234 0.835) 3.940 5.651 ( -3.385 -1.488 -8.127) 8.928 5.651 ( 3.385 -1.488 -8.127) 8.928 5.730 ( -5.651 -2.924 -9.471) 11.410 5.730 ( 5.651 -2.924 -9.471) 11.410 6.014 ( -2.584 0.902 5.018) 5.716 6.014 ( 2.584 0.902 5.018) 5.716 6.091 ( -2.256 -0.618 -1.172) 2.616 6.091 ( 2.256 -0.618 -1.172) 2.616 6.264 ( -5.793 1.182 5.412) 8.016 6.264 ( 5.793 1.182 5.412) 8.016 6.406 ( -5.891 1.473 -1.762) 6.323 6.406 ( 5.891 1.473 -1.762) 6.323 6.567 ( -3.906 2.298 1.774) 4.867 6.567 ( 3.907 2.298 1.774) 4.867 6.713 ( -5.859 -1.180 -6.960) 9.174 6.713 ( 5.859 -1.180 -6.960) 9.174 6.955 ( -5.696 5.064 4.990) 9.110 6.955 ( 5.696 5.064 4.990) 9.110 7.091 ( -7.401 5.676 -5.255) 10.706 7.091 ( 7.401 5.676 -5.255) 10.706 7.364 ( -2.286 -3.723 3.139) 5.379 7.364 ( 2.286 -3.723 3.139) 5.379 7.408 ( -8.246 0.290 0.034) 8.251 7.408 ( 8.246 0.290 0.034) 8.251 7.598 ( -13.354 -1.001 4.277) 14.058 7.598 ( 13.354 -1.001 4.277) 14.058 7.684 ( -3.312 3.915 -0.828) 5.195 7.684 ( 3.312 3.915 -0.828) 5.195 7.817 ( -7.575 1.489 -0.980) 7.782 7.817 ( 7.575 1.489 -0.980) 7.782 7.907 ( -3.856 0.934 -7.444) 8.436 7.907 ( 3.856 0.934 -7.444) 8.436 8.340 ( -6.363 -4.021 6.412) 9.888 8.340 ( 6.363 -4.021 6.412) 9.888 8.443 ( -4.314 -1.543 1.454) 4.807 8.443 ( 4.314 -1.543 1.454) 4.807 8.579 ( -1.014 13.494 1.987) 13.678 8.579 ( 1.014 13.494 1.987) 13.678 8.680 ( -4.912 16.595 -1.999) 17.422 8.680 ( 4.912 16.595 -1.999) 17.422 8.772 ( -3.279 10.032 0.907) 10.593 8.772 ( 3.279 10.032 0.907) 10.593 8.846 ( -5.046 6.117 -3.906) 8.839 8.846 ( 5.046 6.117 -3.906) 8.839 9.147 ( -4.574 3.059 4.329) 7.001 9.147 ( 4.574 3.059 4.329) 7.001 9.229 ( -2.757 -0.143 -2.214) 3.538 9.229 ( 2.757 -0.143 -2.214) 3.538 9.395 ( -2.873 -3.159 3.373) 5.442 9.395 ( 2.873 -3.159 3.373) 5.442 9.513 ( -5.423 1.079 -5.945) 8.119 9.513 ( 5.423 1.079 -5.945) 8.119 9.789 ( -12.492 -4.934 4.756) 14.248 9.789 ( 12.492 -4.934 4.756) 14.248 9.908 ( -9.134 -2.161 -5.146) 10.704 9.908 ( 9.134 -2.161 -5.146) 10.704 10.197 ( -4.314 -1.532 4.829) 6.654 10.197 ( 4.314 -1.532 4.829) 6.654 10.270 ( -1.225 -8.515 -1.327) 8.705 10.270 ( 1.225 -8.515 -1.327) 8.705 10.430 ( -1.637 -6.703 4.132) 8.042 10.430 ( 1.637 -6.703 4.132) 8.042 10.565 ( -0.815 -3.801 -6.105) 7.237 10.565 ( 0.815 -3.801 -6.105) 7.237 10.752 ( -5.254 -3.773 3.289) 7.256 10.752 ( 5.254 -3.773 3.289) 7.256 10.828 ( -3.611 -3.700 -2.736) 5.849 10.828 ( 3.611 -3.700 -2.736) 5.849 12.020 ( -2.354 8.612 2.700) 9.328 12.020 ( 2.354 8.612 2.700) 9.328 12.107 ( -3.253 8.426 -4.644) 10.156 12.107 ( 3.253 8.426 -4.644) 10.156 12.520 ( -2.693 -5.546 5.229) 8.084 12.520 ( 2.693 -5.546 5.229) 8.084 12.631 ( -3.067 -4.493 -4.136) 6.834 12.631 ( 3.067 -4.493 -4.136) 6.834 13.142 ( -3.295 4.668 4.261) 7.128 13.142 ( 3.295 4.668 4.261) 7.128 13.252 ( -4.724 8.808 -4.422) 10.929 13.252 ( 4.724 8.808 -4.422) 10.929 13.747 ( -1.912 -7.542 4.207) 8.845 13.747 ( 1.912 -7.542 4.207) 8.845 13.854 ( -3.140 -8.752 -4.050) 10.142 13.854 ( 3.140 -8.752 -4.050) 10.142 14.062 ( -2.296 -10.777 3.416) 11.536 14.062 ( 2.296 -10.777 3.416) 11.536 14.164 ( -2.820 -10.247 -3.935) 11.333 14.164 ( 2.820 -10.247 -3.935) 11.333 14.484 ( -5.589 -5.249 5.187) 9.257 14.484 ( 5.589 -5.249 5.187) 9.257 14.616 ( -5.728 -9.147 -5.295) 12.021 14.616 ( 5.728 -9.147 -5.295) 12.021 15.435 ( -1.184 12.991 5.832) 14.290 15.435 ( 1.184 12.991 5.832) 14.290 15.568 ( -1.212 13.789 -4.620) 14.593 15.568 ( 1.212 13.789 -4.620) 14.593 15.966 ( -2.529 0.169 3.055) 3.970 15.966 ( 2.529 0.169 3.055) 3.970 16.045 ( -2.574 0.059 -3.038) 3.982 16.045 ( 2.574 0.059 -3.038) 3.982 17.205 ( -7.807 -3.627 6.601) 10.848 17.205 ( 7.807 -3.627 6.601) 10.848 17.381 ( -7.179 -1.659 -7.287) 10.363 17.381 ( 7.179 -1.659 -7.287) 10.363 17.934 ( -4.304 -2.554 4.415) 6.674 17.934 ( 4.304 -2.554 4.415) 6.674 18.049 ( -3.663 -3.065 -4.476) 6.545 18.049 ( 3.663 -3.065 -4.476) 6.545 19.632 ( -7.650 17.293 2.652) 19.095 19.632 ( 7.650 17.293 2.652) 19.095 19.678 ( -9.298 18.287 -0.983) 20.538 19.678 ( 9.298 18.287 -0.983) 20.538 20.366 ( -13.755 -4.807 7.346) 16.318 20.366 ( 13.755 -4.807 7.346) 16.318 20.539 ( -14.704 -8.429 -5.707) 17.884 20.539 ( 14.704 -8.429 -5.707) 17.884 20.825 ( -9.019 -13.625 5.175) 17.140 20.825 ( 9.019 -13.625 5.175) 17.140 21.016 ( -6.497 -10.620 -10.552) 16.320 21.016 ( 6.497 -10.620 -10.552) 16.320 22.059 ( -2.938 2.018 4.776) 5.959 22.059 ( 2.938 2.018 4.776) 5.959 22.140 ( -3.852 -2.062 -2.041) 4.822 22.140 ( 3.852 -2.062 -2.041) 4.822 27.012 ( -3.181 5.963 1.116) 6.850 27.012 ( 3.181 5.963 1.116) 6.850 27.047 ( -3.393 4.783 -1.789) 6.131 27.047 ( 3.393 4.783 -1.789) 6.131 27.536 ( -1.253 -6.316 4.987) 8.144 27.536 ( 1.254 -6.316 4.987) 8.144 27.656 ( -1.240 -4.445 -4.662) 6.559 27.656 ( 1.240 -4.445 -4.662) 6.559 28.862 ( -6.711 2.881 2.606) 7.754 28.862 ( 6.711 2.881 2.606) 7.754 28.931 ( -7.193 4.063 -2.929) 8.765 28.931 ( 7.193 4.063 -2.929) 8.765 29.356 ( -3.991 -1.609 7.245) 8.427 29.356 ( 3.991 -1.609 7.245) 8.427 29.532 ( -6.106 -4.348 -6.784) 10.110 29.532 ( 6.106 -4.348 -6.784) 10.110 30.319 ( -3.448 2.007 2.648) 4.788 30.319 ( 3.448 2.007 2.648) 4.788 30.388 ( -3.034 -0.159 -3.039) 4.297 30.388 ( 3.034 -0.159 -3.039) 4.297 30.666 ( -3.887 -0.234 4.538) 5.980 30.666 ( 3.887 -0.234 4.538) 5.980 30.768 ( -2.982 0.157 -3.708) 4.761 30.768 ( 2.982 0.157 -3.708) 4.761 ======================= Grid point 112 (45/48) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 0.000 -5.750 11.470) 12.831 3.316 ( 0.000 5.750 11.470) 12.831 3.536 ( 0.000 -5.688 -6.542) 8.669 3.536 ( 0.000 5.688 -6.542) 8.669 3.654 ( 0.000 -6.474 7.241) 9.713 3.654 ( 0.000 6.474 7.241) 9.713 3.862 ( 0.000 -10.790 -2.159) 11.004 3.862 ( 0.000 10.790 -2.159) 11.004 4.052 ( 0.000 -9.254 -3.435) 9.871 4.052 ( 0.000 9.254 -3.435) 9.871 4.143 ( 0.000 -6.951 -11.565) 13.493 4.143 ( 0.000 6.951 -11.565) 13.493 4.373 ( 0.000 -14.703 4.347) 15.332 4.373 ( 0.000 14.703 4.347) 15.332 4.497 ( 0.000 -14.033 -4.645) 14.781 4.497 ( 0.000 14.033 -4.645) 14.781 4.790 ( 0.000 -1.449 4.030) 4.282 4.790 ( 0.000 1.449 4.030) 4.282 4.887 ( 0.000 -3.077 0.699) 3.155 4.887 ( 0.000 3.077 0.699) 3.155 4.949 ( 0.000 -6.479 -0.373) 6.490 4.949 ( 0.000 6.479 -0.373) 6.490 5.021 ( 0.000 -0.017 -1.420) 1.420 5.021 ( 0.000 0.017 -1.420) 1.420 5.219 ( 0.000 -1.484 2.086) 2.559 5.219 ( 0.000 1.484 2.086) 2.559 5.298 ( 0.000 -5.056 -3.365) 6.074 5.298 ( 0.000 5.056 -3.365) 6.074 5.517 ( 0.000 -9.800 5.946) 11.463 5.517 ( 0.000 9.800 5.946) 11.463 5.591 ( 0.000 -1.705 -2.320) 2.879 5.591 ( 0.000 1.705 -2.320) 2.879 5.800 ( 0.000 -0.139 4.627) 4.629 5.800 ( 0.000 0.139 4.627) 4.629 5.927 ( 0.000 -2.667 -3.634) 4.508 5.927 ( 0.000 2.667 -3.634) 4.508 5.980 ( 0.000 -0.211 5.433) 5.437 5.980 ( 0.000 0.211 5.433) 5.437 6.058 ( 0.000 -2.653 7.879) 8.314 6.058 ( 0.000 2.653 7.879) 8.314 6.242 ( 0.000 -0.694 -5.707) 5.749 6.242 ( 0.000 0.694 -5.707) 5.749 6.274 ( 0.000 -4.925 -10.665) 11.747 6.274 ( 0.000 4.925 -10.665) 11.747 6.487 ( 0.000 -18.835 1.810) 18.922 6.487 ( 0.000 18.835 1.810) 18.922 6.576 ( 0.000 -18.621 -4.411) 19.137 6.576 ( 0.000 18.621 -4.411) 19.137 6.882 ( 0.000 -5.788 5.227) 7.799 6.882 ( 0.000 5.788 5.227) 7.799 6.899 ( 0.000 -5.221 3.446) 6.256 6.899 ( 0.000 5.221 3.446) 6.256 7.327 ( 0.000 -3.558 0.419) 3.583 7.327 ( 0.000 3.558 0.419) 3.583 7.382 ( 0.000 -2.058 -2.369) 3.138 7.382 ( 0.000 2.058 -2.369) 3.138 7.535 ( 0.000 -2.342 2.218) 3.225 7.535 ( 0.000 2.342 2.218) 3.225 7.610 ( 0.000 -1.537 -1.271) 1.994 7.610 ( 0.000 1.537 -1.271) 1.994 8.080 ( 0.000 -0.521 0.177) 0.551 8.080 ( 0.000 0.521 0.177) 0.551 8.144 ( 0.000 -3.158 -4.307) 5.341 8.144 ( 0.000 3.158 -4.307) 5.341 8.276 ( 0.000 -7.457 1.123) 7.541 8.276 ( 0.000 7.457 1.123) 7.541 8.363 ( 0.000 -7.088 -5.795) 9.155 8.363 ( 0.000 7.088 -5.795) 9.155 8.706 ( 0.000 -3.341 6.024) 6.888 8.706 ( 0.000 3.341 6.024) 6.888 8.773 ( 0.000 -1.243 2.051) 2.398 8.773 ( 0.000 1.243 2.051) 2.398 8.940 ( 0.000 -10.421 3.343) 10.944 8.940 ( 0.000 10.421 3.343) 10.944 9.003 ( 0.000 -2.979 -1.629) 3.395 9.003 ( 0.000 2.979 -1.629) 3.395 9.220 ( 0.000 -13.962 0.724) 13.980 9.220 ( 0.000 13.962 0.724) 13.980 9.279 ( 0.000 -16.893 -2.972) 17.152 9.279 ( 0.000 16.893 -2.972) 17.152 9.369 ( 0.000 -24.975 1.522) 25.022 9.369 ( 0.000 24.975 1.522) 25.022 9.444 ( 0.000 -19.603 -4.941) 20.216 9.444 ( 0.000 19.603 -4.941) 20.216 9.736 ( 0.000 -11.398 10.751) 15.669 9.736 ( 0.000 11.398 10.751) 15.669 9.995 ( 0.000 -8.850 -8.532) 12.293 9.995 ( 0.000 8.850 -8.532) 12.293 10.090 ( 0.000 -11.092 -1.158) 11.152 10.090 ( 0.000 11.092 -1.158) 11.152 10.107 ( 0.000 -15.400 -1.416) 15.465 10.107 ( 0.000 15.400 -1.416) 15.465 10.371 ( 0.000 -0.537 5.150) 5.178 10.371 ( 0.000 0.537 5.150) 5.178 10.465 ( 0.000 -0.159 -2.615) 2.619 10.465 ( 0.000 0.159 -2.615) 2.619 11.006 ( 0.000 -2.682 3.697) 4.567 11.006 ( 0.000 2.682 3.697) 4.567 11.089 ( 0.000 -4.453 -3.112) 5.433 11.089 ( 0.000 4.453 -3.112) 5.433 12.177 ( 0.000 -8.108 2.986) 8.640 12.177 ( 0.000 8.108 2.986) 8.640 12.251 ( 0.000 -9.332 -2.838) 9.754 12.251 ( 0.000 9.332 -2.838) 9.754 12.516 ( 0.000 -3.130 -0.160) 3.134 12.516 ( 0.000 3.130 -0.160) 3.134 12.518 ( 0.000 -3.540 -0.301) 3.553 12.518 ( 0.000 3.540 -0.301) 3.553 13.059 ( 0.000 -18.892 0.498) 18.899 13.059 ( 0.000 18.892 0.498) 18.899 13.069 ( 0.000 -19.429 -0.208) 19.430 13.069 ( 0.000 19.429 -0.208) 19.430 13.782 ( 0.000 -0.280 -1.930) 1.950 13.782 ( 0.000 0.280 -1.930) 1.950 13.817 ( 0.000 -1.020 -5.092) 5.193 13.817 ( 0.000 1.020 -5.092) 5.193 14.109 ( 0.000 -0.961 6.157) 6.232 14.109 ( 0.000 0.961 6.157) 6.232 14.158 ( 0.000 -2.636 2.909) 3.926 14.158 ( 0.000 2.636 2.909) 3.926 14.545 ( 0.000 -0.750 0.080) 0.754 14.545 ( 0.000 0.750 0.080) 0.754 14.578 ( 0.000 -1.687 -2.296) 2.849 14.578 ( 0.000 1.687 -2.296) 2.849 15.612 ( 0.000 -0.922 3.050) 3.187 15.612 ( 0.000 0.922 3.050) 3.187 15.687 ( 0.000 -0.596 -3.020) 3.078 15.687 ( 0.000 0.596 -3.020) 3.078 15.820 ( 0.000 -11.144 2.448) 11.409 15.820 ( 0.000 11.144 2.448) 11.409 15.877 ( 0.000 -12.326 -2.226) 12.526 15.877 ( 0.000 12.326 -2.226) 12.526 17.425 ( 0.000 -16.469 4.577) 17.093 17.425 ( 0.000 16.469 4.577) 17.093 17.557 ( 0.000 -12.787 -6.253) 14.234 17.557 ( 0.000 12.787 -6.253) 14.234 17.744 ( 0.000 -1.136 1.883) 2.200 17.744 ( 0.000 1.136 1.883) 2.200 17.771 ( 0.000 -0.367 -0.354) 0.510 17.771 ( 0.000 0.367 -0.354) 0.510 19.427 ( 0.000 -11.896 4.065) 12.572 19.427 ( 0.000 11.896 4.065) 12.572 19.559 ( 0.000 -15.086 -7.258) 16.741 19.559 ( 0.000 15.086 -7.258) 16.741 20.152 ( 0.000 -23.554 14.334) 27.573 20.152 ( 0.000 23.554 14.334) 27.573 20.451 ( 0.000 -24.799 -9.567) 26.580 20.451 ( 0.000 24.799 -9.567) 26.580 21.301 ( 0.000 -9.371 -0.903) 9.414 21.301 ( 0.000 9.371 -0.903) 9.414 21.352 ( 0.000 -8.108 -5.895) 10.024 21.352 ( 0.000 8.108 -5.895) 10.024 21.928 ( 0.000 -0.749 8.649) 8.681 21.928 ( 0.000 0.749 8.649) 8.681 22.072 ( 0.000 -2.175 -3.741) 4.328 22.072 ( 0.000 2.175 -3.741) 4.328 27.062 ( 0.000 -11.365 0.230) 11.368 27.062 ( 0.000 11.365 0.230) 11.368 27.067 ( 0.000 -11.302 -0.122) 11.303 27.067 ( 0.000 11.302 -0.122) 11.303 27.639 ( 0.000 -16.690 1.340) 16.743 27.639 ( 0.000 16.690 1.340) 16.743 27.674 ( 0.000 -16.550 -1.435) 16.612 27.674 ( 0.000 16.550 -1.435) 16.612 28.542 ( 0.000 -2.356 2.112) 3.164 28.542 ( 0.000 2.356 2.112) 3.164 28.602 ( 0.000 -1.804 -2.722) 3.266 28.602 ( 0.000 1.804 -2.722) 3.266 29.502 ( 0.000 -1.419 6.917) 7.061 29.502 ( 0.000 1.419 6.917) 7.061 29.662 ( 0.000 -3.419 -5.805) 6.737 29.662 ( 0.000 3.419 -5.805) 6.737 30.413 ( 0.000 -2.067 -0.312) 2.090 30.413 ( 0.000 2.067 -0.312) 2.090 30.428 ( 0.000 -2.435 -1.139) 2.688 30.428 ( 0.000 2.435 -1.139) 2.688 30.671 ( 0.000 -0.002 3.008) 3.008 30.671 ( 0.000 0.002 3.008) 3.008 30.730 ( 0.000 -0.618 -1.754) 1.860 30.730 ( 0.000 0.618 -1.754) 1.860 ======================= Grid point 114 (46/48) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( 3.426 0.000 9.284) 9.896 3.445 ( 7.787 0.000 12.634) 14.841 3.515 ( 2.649 0.000 -6.183) 6.727 3.645 ( 5.734 0.000 -4.898) 7.541 3.691 ( 4.021 -0.000 3.767) 5.510 3.713 ( 4.987 0.000 8.744) 10.066 3.830 ( -3.966 0.000 -4.476) 5.980 3.883 ( 2.441 0.000 2.587) 3.557 4.045 ( 1.112 -0.000 -6.557) 6.650 4.052 ( 0.582 0.000 -1.775) 1.867 4.127 ( 3.553 -0.000 -10.011) 10.623 4.170 ( -0.283 0.000 -15.169) 15.172 4.383 ( 0.049 0.000 2.198) 2.199 4.394 ( 1.115 -0.000 6.134) 6.234 4.451 ( -1.495 0.000 -2.477) 2.894 4.545 ( 0.989 0.000 -6.055) 6.136 4.773 ( 0.385 0.000 4.168) 4.186 4.775 ( -1.826 0.000 5.468) 5.765 4.879 ( -3.538 0.000 -2.270) 4.204 4.923 ( 2.710 0.000 2.962) 4.015 4.930 ( 2.815 -0.000 -5.548) 6.221 5.011 ( -1.313 -0.000 -2.220) 2.579 5.042 ( 3.427 0.000 6.175) 7.062 5.095 ( 9.420 0.000 2.934) 9.867 5.232 ( 0.697 0.000 -0.379) 0.794 5.255 ( 5.032 -0.000 -2.877) 5.796 5.256 ( 0.026 0.000 6.275) 6.275 5.357 ( 0.741 -0.000 -0.734) 1.043 5.445 ( -3.185 0.000 -1.471) 3.508 5.537 ( -2.010 -0.327 -7.082) 7.369 5.537 ( -0.560 0.327 7.684) 7.711 5.600 ( -7.223 -0.000 7.935) 10.730 5.689 ( 3.167 0.000 -3.136) 4.457 5.826 ( -4.544 0.000 -6.174) 7.665 5.869 ( -9.706 0.000 11.782) 15.265 5.984 ( 4.821 0.000 -1.762) 5.133 6.003 ( 3.399 0.000 1.055) 3.559 6.026 ( 3.835 0.000 1.847) 4.256 6.093 ( -5.692 0.000 -8.618) 10.328 6.104 ( -3.072 0.000 -5.931) 6.680 6.131 ( 1.177 -0.000 5.686) 5.806 6.226 ( 7.532 0.000 4.774) 8.917 6.244 ( -0.497 -0.000 -4.256) 4.285 6.399 ( 4.893 0.000 1.145) 5.025 6.489 ( 5.008 0.000 -7.432) 8.961 6.539 ( 5.409 -0.000 -4.320) 6.922 6.618 ( 5.526 -0.000 1.487) 5.722 6.661 ( 1.813 0.000 -0.373) 1.851 6.820 ( -4.555 0.000 7.224) 8.540 6.871 ( 2.649 0.000 3.806) 4.637 6.925 ( 3.770 0.000 1.878) 4.212 6.952 ( -0.299 0.000 -2.222) 2.242 7.202 ( -5.068 0.000 0.795) 5.130 7.264 ( -3.570 0.000 -2.654) 4.449 7.308 ( -4.650 0.000 1.745) 4.966 7.391 ( -5.082 0.000 -4.967) 7.106 7.511 ( 4.464 0.000 4.364) 6.243 7.618 ( 5.369 0.000 -3.203) 6.252 7.697 ( 8.741 0.000 3.473) 9.405 7.773 ( 6.082 0.000 -1.479) 6.260 8.026 ( -0.945 -0.000 0.448) 1.046 8.034 ( -5.347 0.000 -1.667) 5.601 8.093 ( -6.310 0.000 -4.767) 7.908 8.114 ( -0.411 0.000 -3.744) 3.767 8.319 ( 3.508 0.000 3.727) 5.118 8.342 ( 3.830 0.000 2.314) 4.475 8.402 ( 6.185 -0.000 -1.662) 6.405 8.430 ( -6.396 -0.000 -1.193) 6.506 8.495 ( -7.229 0.000 3.817) 8.175 8.645 ( -1.733 0.000 -8.519) 8.693 8.745 ( -3.222 0.000 6.602) 7.346 8.835 ( -4.233 0.000 4.147) 5.926 8.915 ( 2.088 -0.000 -0.976) 2.305 8.990 ( -4.104 0.000 8.502) 9.441 9.003 ( 8.618 -0.000 -2.221) 8.900 9.086 ( 5.873 0.000 3.901) 7.051 9.193 ( 0.151 -0.000 -4.726) 4.728 9.213 ( -4.393 0.000 -6.846) 8.134 9.271 ( -1.226 0.000 1.131) 1.668 9.349 ( 4.477 0.000 -3.182) 5.493 9.378 ( 3.657 -0.000 -0.281) 3.668 9.390 ( -0.130 0.000 -1.370) 1.376 9.436 ( 1.961 -0.000 1.326) 2.367 9.477 ( -0.158 0.000 -1.689) 1.697 9.695 ( 0.727 -0.000 11.940) 11.963 9.756 ( -0.677 0.000 7.846) 7.875 9.899 ( -6.946 0.000 -3.257) 7.672 9.965 ( -5.002 -0.000 -4.752) 6.900 10.002 ( -3.928 0.000 -3.296) 5.128 10.072 ( -2.978 0.000 -3.692) 4.743 10.130 ( 3.148 -0.000 0.319) 3.164 10.184 ( 6.487 0.000 -4.543) 7.920 10.324 ( -1.303 0.000 2.419) 2.748 10.407 ( 0.339 0.000 -4.294) 4.307 10.435 ( 1.312 0.000 7.162) 7.282 10.532 ( 1.114 0.000 -0.770) 1.354 10.923 ( -6.870 0.000 2.006) 7.157 10.970 ( -4.608 -0.000 3.769) 5.953 10.986 ( -8.435 0.000 -3.388) 9.090 11.044 ( -5.638 0.000 -2.127) 6.026 12.114 ( -3.278 0.000 1.846) 3.762 12.190 ( -2.992 -0.000 -4.478) 5.386 12.196 ( -0.351 0.000 4.792) 4.805 12.303 ( 1.314 0.000 -3.463) 3.704 12.447 ( -2.883 -0.000 1.445) 3.224 12.504 ( 0.493 -0.000 -3.282) 3.318 12.555 ( 1.255 0.000 3.299) 3.529 12.606 ( 3.904 0.000 -0.750) 3.975 13.039 ( 0.672 0.000 0.578) 0.887 13.070 ( 2.749 -0.000 -2.119) 3.471 13.103 ( 3.330 0.000 3.019) 4.495 13.152 ( 5.943 -0.000 -0.524) 5.966 13.708 ( -2.778 0.000 -2.472) 3.719 13.741 ( -3.041 0.000 -5.096) 5.935 13.881 ( 4.209 0.000 -0.230) 4.215 13.919 ( 4.613 0.000 -3.196) 5.612 14.073 ( -1.448 0.000 7.899) 8.030 14.180 ( 2.037 0.000 4.084) 4.564 14.192 ( 4.630 0.000 3.097) 5.571 14.211 ( 1.821 0.000 2.215) 2.867 14.299 ( -15.460 0.000 -3.664) 15.889 14.389 ( -10.956 0.000 -6.593) 12.787 14.530 ( -4.820 0.000 3.300) 5.841 14.569 ( -5.445 0.000 0.119) 5.447 15.608 ( -0.768 0.000 3.688) 3.767 15.632 ( 1.287 -0.000 3.353) 3.592 15.699 ( 1.708 0.000 -2.621) 3.128 15.705 ( 1.300 -0.000 -3.767) 3.985 15.813 ( 1.810 0.000 1.773) 2.533 15.889 ( 3.579 -0.000 3.078) 4.721 15.891 ( 2.971 0.000 -3.966) 4.955 15.942 ( 4.260 -0.000 -1.467) 4.505 17.283 ( -7.759 0.000 3.636) 8.569 17.411 ( -5.382 -0.000 7.675) 9.374 17.426 ( -5.903 0.000 -8.035) 9.970 17.581 ( -4.099 0.000 -5.734) 7.048 17.787 ( 3.047 0.000 2.806) 4.142 17.791 ( 5.892 -0.000 3.082) 6.649 17.845 ( 7.333 0.000 -1.630) 7.512 17.852 ( 5.365 -0.000 -2.326) 5.847 19.510 ( 8.269 -0.000 3.270) 8.892 19.536 ( 10.801 0.000 4.761) 11.803 19.618 ( 6.386 0.000 -6.111) 8.838 19.685 ( 11.574 -0.000 -7.843) 13.981 20.115 ( -2.299 0.000 14.039) 14.226 20.218 ( 5.341 -0.000 13.338) 14.368 20.403 ( -4.396 -0.000 -9.098) 10.104 20.478 ( 1.308 0.000 -7.183) 7.301 21.053 ( -15.717 0.000 0.529) 15.726 21.183 ( -12.790 0.000 -9.994) 16.232 21.209 ( -12.057 -0.000 4.031) 12.713 21.376 ( -8.021 0.000 -11.651) 14.145 21.809 ( 0.573 0.000 11.965) 11.979 22.041 ( 1.735 -0.000 -8.173) 8.355 22.054 ( 4.730 0.000 10.525) 11.539 22.205 ( 4.842 0.000 -2.584) 5.488 27.062 ( 0.311 -0.000 -0.160) 0.350 27.064 ( 0.240 -0.000 -0.332) 0.410 27.073 ( 0.481 0.000 0.350) 0.595 27.081 ( 1.043 0.000 -0.193) 1.060 27.565 ( -4.828 -0.000 3.744) 6.110 27.575 ( -4.681 0.000 4.467) 6.470 27.664 ( -1.606 0.000 -4.250) 4.543 27.684 ( -1.216 -0.000 -4.053) 4.232 28.618 ( 7.523 0.000 2.282) 7.861 28.623 ( 7.579 -0.000 2.454) 7.966 28.681 ( 7.818 0.000 -2.802) 8.305 28.687 ( 7.831 -0.000 -2.677) 8.276 29.469 ( -3.031 0.000 6.559) 7.225 29.480 ( -2.782 -0.000 7.021) 7.552 29.627 ( -3.304 0.000 -5.969) 6.822 29.642 ( -2.885 -0.000 -5.769) 6.450 30.368 ( -2.483 0.000 -0.460) 2.525 30.381 ( -1.921 0.000 -1.474) 2.421 30.427 ( -0.104 0.000 1.682) 1.686 30.460 ( -0.204 0.000 -0.418) 0.465 30.616 ( -1.723 0.000 1.673) 2.402 30.688 ( -0.582 0.000 -3.817) 3.861 30.724 ( 1.517 0.000 3.707) 4.006 30.782 ( 2.108 0.000 -0.989) 2.328 ======================= Grid point 116 (47/48) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( 5.325 0.000 6.902) 8.717 3.539 ( 1.005 0.000 9.983) 10.034 3.607 ( 4.371 0.000 -8.284) 9.367 3.713 ( 0.259 0.000 -4.819) 4.826 3.753 ( 2.864 0.000 1.545) 3.254 3.829 ( 6.654 -0.000 -3.275) 7.417 3.835 ( 6.712 0.000 7.038) 9.725 3.942 ( 3.934 0.000 6.713) 7.780 4.082 ( 0.110 0.000 -8.486) 8.486 4.119 ( 4.947 0.000 0.918) 5.032 4.154 ( 1.088 -0.000 -14.109) 14.151 4.224 ( 3.108 0.000 -6.902) 7.569 4.367 ( -2.098 0.000 4.612) 5.067 4.393 ( 0.618 0.000 0.889) 1.083 4.438 ( -0.264 0.000 -3.027) 3.039 4.517 ( -3.812 -0.000 -6.992) 7.963 4.742 ( -0.395 0.000 9.679) 9.687 4.799 ( -0.305 0.000 2.456) 2.475 4.839 ( 1.114 0.000 0.626) 1.278 4.943 ( -2.291 0.000 -5.160) 5.646 4.995 ( 2.536 -0.000 1.402) 2.898 5.002 ( 4.513 0.000 3.540) 5.736 5.127 ( 3.834 0.000 11.248) 11.884 5.215 ( 0.228 0.000 7.391) 7.394 5.246 ( 1.441 0.000 11.204) 11.296 5.273 ( 1.854 0.000 3.053) 3.572 5.329 ( -4.524 0.000 -2.069) 4.974 5.360 ( 2.737 -0.000 -2.589) 3.767 5.433 ( 2.823 0.000 -6.168) 6.784 5.492 ( -2.749 -0.000 5.075) 5.771 5.498 ( -0.261 0.000 -9.020) 9.024 5.567 ( 3.342 0.000 -2.363) 4.093 5.661 ( -5.935 -0.000 -0.899) 6.003 5.710 ( -4.811 -0.000 0.020) 4.811 5.716 ( -5.564 0.000 -11.801) 13.047 5.891 ( -7.848 0.000 -8.032) 11.229 6.012 ( -1.040 0.000 3.736) 3.878 6.050 ( -1.703 0.000 3.058) 3.500 6.090 ( 0.708 -0.000 -2.851) 2.937 6.109 ( 0.177 0.000 0.793) 0.812 6.185 ( 5.477 0.000 4.628) 7.171 6.317 ( 8.600 0.000 -4.447) 9.682 6.358 ( 4.132 -0.000 11.648) 12.359 6.422 ( -5.161 0.000 9.234) 10.578 6.553 ( 1.706 0.000 -10.052) 10.196 6.582 ( -4.449 0.000 1.610) 4.731 6.699 ( -1.194 -0.000 -7.004) 7.105 6.737 ( 6.673 0.000 -9.963) 11.992 6.840 ( 9.145 0.000 4.474) 10.181 6.926 ( 3.790 0.000 -4.644) 5.994 6.974 ( 6.432 -0.000 7.552) 9.920 7.099 ( 13.111 0.000 0.634) 13.126 7.227 ( 8.746 0.000 0.523) 8.762 7.258 ( 2.217 -0.000 -1.759) 2.830 7.259 ( 0.380 0.000 1.254) 1.310 7.345 ( 1.758 0.000 -6.100) 6.348 7.558 ( -0.679 0.000 7.353) 7.384 7.712 ( 3.792 0.000 -3.090) 4.891 7.765 ( -3.783 0.000 3.190) 4.948 7.796 ( -3.487 0.000 0.099) 3.488 7.902 ( -10.324 0.000 -3.981) 11.065 7.930 ( -6.918 0.000 -4.586) 8.300 8.059 ( -4.794 0.000 1.294) 4.966 8.087 ( -5.689 0.000 -0.960) 5.770 8.149 ( -6.970 0.000 7.690) 10.379 8.404 ( 4.007 -0.000 -11.106) 11.806 8.407 ( 4.070 0.000 6.162) 7.385 8.431 ( -4.123 -0.000 6.209) 7.453 8.469 ( 2.867 0.000 8.786) 9.242 8.709 ( 4.220 0.000 -10.684) 11.487 8.714 ( -1.776 -0.000 -1.599) 2.390 8.732 ( -3.101 0.000 -2.613) 4.055 8.932 ( -0.788 -0.000 6.699) 6.745 8.960 ( 1.211 0.000 5.261) 5.399 9.096 ( -2.980 0.000 -6.565) 7.209 9.125 ( 2.245 -0.000 -6.416) 6.797 9.149 ( 0.431 -0.000 2.816) 2.849 9.212 ( -0.208 0.000 -2.675) 2.683 9.238 ( -2.562 0.000 5.324) 5.908 9.310 ( -7.033 -0.000 -0.358) 7.042 9.423 ( 4.067 -0.000 2.917) 5.005 9.437 ( 3.597 0.000 4.152) 5.493 9.492 ( 5.359 0.000 -2.687) 5.995 9.554 ( 3.778 0.000 -5.278) 6.491 9.695 ( -1.706 -0.000 7.524) 7.715 9.740 ( -0.667 0.000 3.032) 3.105 9.797 ( -2.792 0.000 -2.006) 3.438 9.862 ( -4.198 0.000 -3.960) 5.771 10.004 ( 4.872 -0.000 -1.974) 5.257 10.063 ( 2.665 0.000 -4.643) 5.353 10.202 ( 2.362 0.000 3.590) 4.297 10.287 ( 1.542 -0.000 -2.118) 2.620 10.312 ( 0.639 0.000 5.383) 5.420 10.402 ( -4.030 0.000 7.314) 8.350 10.462 ( 4.275 0.000 -6.261) 7.582 10.518 ( -0.790 0.000 -2.760) 2.871 10.768 ( -7.753 0.000 1.404) 7.879 10.833 ( -5.835 0.000 -3.673) 6.895 10.847 ( -7.696 -0.000 3.484) 8.448 10.908 ( -7.495 0.000 -1.495) 7.643 12.079 ( -0.035 0.000 1.236) 1.237 12.150 ( -0.539 0.000 -4.905) 4.934 12.166 ( -2.627 0.000 4.219) 4.970 12.274 ( -4.181 0.000 -5.115) 6.606 12.420 ( 0.533 0.000 5.045) 5.073 12.532 ( 2.342 -0.000 -5.008) 5.529 12.536 ( -3.149 0.000 5.474) 6.315 12.635 ( -1.015 0.000 -2.622) 2.812 13.111 ( 6.622 0.000 2.528) 7.088 13.190 ( 9.743 -0.000 -3.995) 10.531 13.191 ( 5.398 0.000 5.786) 7.913 13.302 ( 9.627 0.000 -2.183) 9.872 13.652 ( -4.274 0.000 -2.146) 4.783 13.673 ( -4.488 0.000 -4.092) 6.073 13.860 ( -9.863 -0.000 2.363) 10.142 13.895 ( -15.363 0.000 2.969) 15.647 13.971 ( -0.161 0.000 0.690) 0.709 14.048 ( -2.632 0.000 -2.237) 3.454 14.101 ( -8.314 0.000 4.160) 9.297 14.157 ( -6.077 0.000 0.033) 6.077 14.342 ( 5.480 0.000 -1.904) 5.801 14.377 ( 9.984 0.000 -4.287) 10.865 14.488 ( -1.646 0.000 2.193) 2.742 14.518 ( 2.641 0.000 -0.081) 2.642 15.588 ( -0.931 0.000 5.381) 5.461 15.623 ( -1.852 0.000 5.452) 5.758 15.730 ( 1.252 0.000 -5.685) 5.821 15.743 ( 1.729 -0.000 -4.340) 4.672 15.866 ( 3.275 0.000 2.979) 4.427 15.934 ( 0.842 -0.000 3.943) 4.032 15.965 ( 3.837 0.000 -4.346) 5.798 16.007 ( 2.038 0.000 -2.136) 2.952 17.175 ( -2.909 0.000 5.093) 5.865 17.283 ( -6.838 -0.000 8.302) 10.756 17.351 ( -1.538 0.000 -9.169) 9.297 17.472 ( -6.194 0.000 -6.605) 9.055 17.853 ( 3.605 0.000 3.863) 5.284 17.890 ( 3.336 0.000 4.131) 5.310 17.954 ( 4.770 -0.000 -3.933) 6.182 17.973 ( 4.885 0.000 -2.589) 5.528 19.707 ( 11.282 -0.000 1.646) 11.401 19.767 ( 8.769 0.000 -3.247) 9.351 19.810 ( 16.436 0.000 5.662) 17.383 19.950 ( 10.626 -0.000 -4.971) 11.731 20.070 ( 1.443 0.000 7.871) 8.003 20.264 ( -9.302 -0.000 -6.310) 11.240 20.363 ( 8.674 -0.000 8.856) 12.396 20.457 ( -6.192 0.000 2.185) 6.566 20.759 ( -13.159 0.000 -0.246) 13.161 20.935 ( -9.890 0.000 -13.217) 16.508 20.943 ( -14.093 -0.000 5.627) 15.175 21.127 ( -13.980 0.000 -9.372) 16.831 21.925 ( 8.871 0.000 6.240) 10.845 22.081 ( 1.870 0.000 -6.287) 6.559 22.106 ( 0.894 0.000 7.952) 8.002 22.220 ( -3.103 0.000 -1.766) 3.570 27.067 ( 0.388 -0.000 0.062) 0.393 27.079 ( 0.066 -0.000 0.557) 0.560 27.080 ( 1.089 0.000 -1.121) 1.563 27.098 ( 0.535 0.000 -1.001) 1.135 27.489 ( -2.711 -0.000 5.507) 6.138 27.496 ( -3.101 0.000 6.157) 6.894 27.624 ( -1.892 0.000 -5.422) 5.743 27.641 ( -2.582 -0.000 -5.309) 5.903 28.788 ( 8.902 0.000 2.745) 9.316 28.792 ( 8.762 -0.000 2.840) 9.211 28.862 ( 9.729 0.000 -3.129) 10.220 28.866 ( 9.566 -0.000 -3.029) 10.034 29.390 ( -4.875 0.000 6.071) 7.786 29.398 ( -5.231 -0.000 6.522) 8.360 29.537 ( -5.575 0.000 -5.702) 7.974 29.551 ( -6.037 -0.000 -5.555) 8.204 30.340 ( -0.317 0.000 0.155) 0.353 30.363 ( 0.392 0.000 -1.739) 1.782 30.400 ( -2.542 0.000 2.021) 3.247 30.438 ( -1.640 0.000 -0.721) 1.792 30.610 ( 1.331 0.000 3.033) 3.312 30.716 ( 2.875 -0.000 -4.960) 5.733 30.720 ( -1.916 0.000 4.559) 4.945 30.801 ( -0.269 0.000 -2.066) 2.084 ======================= Grid point 118 (48/48) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( -4.053 0.000 5.752) 7.036 3.502 ( 4.053 0.000 5.752) 7.036 3.663 ( -3.436 0.000 -7.326) 8.092 3.663 ( 3.436 0.000 -7.326) 8.092 3.867 ( -5.001 0.000 3.509) 6.109 3.867 ( 5.001 0.000 3.509) 6.109 3.969 ( -5.396 0.000 -1.605) 5.630 3.969 ( 5.396 0.000 -1.605) 5.630 4.103 ( -7.035 0.000 1.852) 7.275 4.103 ( 7.035 0.000 1.852) 7.275 4.211 ( -1.195 0.000 -3.737) 3.923 4.211 ( 1.195 0.000 -3.737) 3.923 4.394 ( -0.710 0.000 -2.986) 3.070 4.394 ( 0.710 0.000 -2.986) 3.070 4.437 ( -1.604 0.000 -5.913) 6.127 4.437 ( 1.604 -0.000 -5.913) 6.127 4.770 ( -2.141 0.000 7.564) 7.862 4.770 ( 2.141 0.000 7.564) 7.862 4.879 ( -2.778 0.000 -1.120) 2.995 4.879 ( 2.778 -0.000 -1.120) 2.995 5.082 ( -6.513 0.000 9.689) 11.674 5.082 ( 6.513 0.000 9.689) 11.674 5.145 ( -8.558 0.000 5.501) 10.174 5.145 ( 8.558 0.000 5.501) 10.174 5.269 ( -2.035 0.000 3.405) 3.967 5.269 ( 2.035 0.000 3.405) 3.967 5.309 ( -4.120 0.000 2.562) 4.851 5.309 ( 4.120 0.000 2.562) 4.851 5.480 ( -1.095 0.000 -3.655) 3.815 5.480 ( 1.095 -0.000 -3.655) 3.815 5.572 ( -4.738 0.000 -2.664) 5.436 5.572 ( 4.738 0.000 -2.664) 5.436 5.648 ( -0.219 0.000 -8.229) 8.232 5.648 ( 0.219 0.000 -8.229) 8.232 5.716 ( -10.464 0.000 -10.250) 14.648 5.716 ( 10.464 0.000 -10.250) 14.648 6.017 ( -1.324 0.000 6.001) 6.146 6.017 ( 1.324 0.000 6.001) 6.146 6.086 ( -0.836 0.000 -0.140) 0.847 6.086 ( 0.836 0.000 -0.140) 0.847 6.293 ( -5.569 -0.000 9.268) 10.812 6.293 ( 5.569 0.000 9.268) 10.812 6.414 ( -0.786 0.000 7.865) 7.904 6.414 ( 0.786 0.000 7.865) 7.904 6.569 ( -0.633 -0.000 -11.857) 11.874 6.569 ( 0.633 0.000 -11.857) 11.874 6.687 ( -3.983 0.000 -11.958) 12.603 6.687 ( 3.983 0.000 -11.958) 12.603 6.997 ( -4.091 0.000 5.165) 6.589 6.997 ( 4.091 0.000 5.165) 6.589 7.155 ( -10.157 0.000 -7.330) 12.525 7.155 ( 10.157 0.000 -7.330) 12.525 7.330 ( -5.421 0.000 5.987) 8.077 7.330 ( 5.421 -0.000 5.987) 8.077 7.426 ( -2.541 0.000 -1.649) 3.029 7.426 ( 2.541 0.000 -1.649) 3.029 7.543 ( -5.725 0.000 10.748) 12.177 7.543 ( 5.725 0.000 10.748) 12.177 7.750 ( -1.773 0.000 1.967) 2.648 7.750 ( 1.773 -0.000 1.967) 2.648 7.799 ( -9.182 0.000 -5.418) 10.661 7.799 ( 9.182 0.000 -5.418) 10.661 7.919 ( -5.374 0.000 -7.278) 9.047 7.919 ( 5.374 0.000 -7.278) 9.047 8.288 ( -9.189 0.000 10.264) 13.776 8.288 ( 9.189 0.000 10.264) 13.776 8.455 ( -0.538 0.000 2.863) 2.913 8.455 ( 0.538 0.000 2.863) 2.913 8.589 ( -8.229 0.000 -2.009) 8.471 8.589 ( 8.229 0.000 -2.009) 8.471 8.744 ( -0.271 0.000 -8.202) 8.207 8.744 ( 0.271 0.000 -8.202) 8.207 8.955 ( -1.822 -0.000 6.087) 6.353 8.955 ( 1.822 0.000 6.086) 6.353 9.114 ( -2.521 -0.000 -6.112) 6.611 9.114 ( 2.521 0.000 -6.112) 6.611 9.164 ( -3.254 0.000 3.118) 4.507 9.164 ( 3.254 0.000 3.118) 4.507 9.215 ( -1.548 -0.000 -1.264) 1.999 9.215 ( 1.548 -0.000 -1.264) 1.999 9.502 ( -1.519 0.000 3.605) 3.912 9.502 ( 1.519 0.000 3.605) 3.912 9.538 ( -0.842 0.000 0.671) 1.077 9.538 ( 0.842 -0.000 0.671) 1.077 9.728 ( -2.219 -0.000 -0.390) 2.253 9.728 ( 2.219 0.000 -0.390) 2.253 9.788 ( -2.417 0.000 -4.837) 5.407 9.788 ( 2.417 0.000 -4.837) 5.407 10.139 ( -7.296 0.000 2.479) 7.705 10.139 ( 7.296 0.000 2.479) 7.705 10.186 ( -9.212 0.000 -0.907) 9.257 10.186 ( 9.212 0.000 -0.907) 9.257 10.348 ( -2.160 0.000 7.036) 7.360 10.348 ( 2.160 0.000 7.036) 7.360 10.526 ( -0.985 0.000 -6.810) 6.881 10.526 ( 0.985 0.000 -6.810) 6.881 10.720 ( -3.542 0.000 3.480) 4.966 10.720 ( 3.542 0.000 3.480) 4.966 10.796 ( -2.767 0.000 -2.643) 3.827 10.796 ( 2.767 0.000 -2.643) 3.827 12.109 ( -2.795 0.000 2.044) 3.463 12.109 ( 2.796 0.000 2.044) 3.463 12.184 ( -3.988 0.000 -4.607) 6.093 12.184 ( 3.988 0.000 -4.607) 6.093 12.463 ( -3.626 0.000 5.967) 6.982 12.463 ( 3.626 0.000 5.967) 6.982 12.588 ( -3.189 0.000 -4.655) 5.642 12.588 ( 3.189 0.000 -4.655) 5.642 13.235 ( -3.406 0.000 6.030) 6.925 13.235 ( 3.406 0.000 6.030) 6.925 13.397 ( -7.903 0.000 -7.021) 10.571 13.397 ( 7.903 0.000 -7.021) 10.571 13.611 ( -9.731 0.000 2.680) 10.094 13.611 ( 9.731 0.000 2.680) 10.094 13.662 ( -6.090 -0.000 -1.637) 6.306 13.662 ( 6.090 0.000 -1.637) 6.306 13.989 ( -2.789 0.000 4.063) 4.928 13.989 ( 2.789 0.000 4.063) 4.928 14.070 ( -2.596 0.000 -2.239) 3.429 14.070 ( 2.596 0.000 -2.239) 3.429 14.446 ( -3.983 0.000 1.797) 4.370 14.446 ( 3.983 0.000 1.797) 4.370 14.523 ( -3.694 0.000 -4.136) 5.546 14.523 ( 3.694 0.000 -4.136) 5.546 15.588 ( -1.162 0.000 6.616) 6.717 15.588 ( 1.162 0.000 6.616) 6.717 15.750 ( -0.672 0.000 -6.285) 6.321 15.750 ( 0.672 0.000 -6.285) 6.321 15.921 ( -2.038 0.000 4.201) 4.670 15.921 ( 2.038 -0.000 4.201) 4.670 16.015 ( -1.174 -0.000 -3.280) 3.484 16.015 ( 1.174 0.000 -3.280) 3.484 17.180 ( -3.291 0.000 7.045) 7.776 17.180 ( 3.291 0.000 7.045) 7.776 17.372 ( -3.572 0.000 -8.275) 9.013 17.372 ( 3.572 0.000 -8.275) 9.013 17.907 ( -1.406 0.000 4.477) 4.693 17.907 ( 1.406 0.000 4.477) 4.693 18.013 ( -0.790 0.000 -3.746) 3.828 18.013 ( 0.790 0.000 -3.746) 3.828 19.893 ( -7.854 0.000 3.303) 8.521 19.893 ( 7.854 0.000 3.303) 8.521 19.959 ( -8.972 0.000 -1.856) 9.162 19.959 ( 8.972 0.000 -1.856) 9.162 20.210 ( -14.369 -0.000 5.786) 15.490 20.210 ( 14.369 0.000 5.786) 15.490 20.350 ( -14.187 0.000 -4.718) 14.951 20.350 ( 14.187 0.000 -4.718) 14.951 20.701 ( -9.743 -0.000 6.652) 11.798 20.701 ( 9.743 0.000 6.652) 11.798 20.916 ( -6.770 0.000 -10.535) 12.522 20.916 ( 6.770 0.000 -10.535) 12.522 22.089 ( -5.259 0.000 2.159) 5.685 22.089 ( 5.259 0.000 2.159) 5.685 22.117 ( -4.015 0.000 -0.302) 4.027 22.117 ( 4.015 0.000 -0.302) 4.027 27.076 ( -0.396 0.000 0.443) 0.594 27.076 ( 0.396 0.000 0.443) 0.594 27.098 ( -0.584 0.000 -1.500) 1.609 27.098 ( 0.584 0.000 -1.500) 1.609 27.465 ( -0.160 0.000 6.190) 6.192 27.465 ( 0.160 0.000 6.190) 6.192 27.608 ( -0.452 0.000 -5.391) 5.410 27.608 ( 0.452 0.000 -5.391) 5.410 28.893 ( -0.105 0.000 3.230) 3.231 28.893 ( 0.105 0.000 3.230) 3.231 28.979 ( -0.103 0.000 -3.581) 3.582 28.979 ( 0.103 0.000 -3.581) 3.582 29.329 ( -0.250 0.000 5.863) 5.869 29.329 ( 0.250 0.000 5.863) 5.869 29.468 ( -0.467 0.000 -5.213) 5.234 29.468 ( 0.467 -0.000 -5.213) 5.234 30.355 ( -1.777 0.000 1.254) 2.175 30.355 ( 1.777 0.000 1.254) 2.175 30.395 ( -2.470 0.000 -2.087) 3.233 30.395 ( 2.470 0.000 -2.087) 3.233 30.663 ( -3.518 0.000 4.942) 6.066 30.663 ( 3.518 0.000 4.942) 6.066 30.772 ( -2.557 0.000 -3.934) 4.692 30.772 ( 2.557 0.000 -3.934) 4.692 =================== 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 3/32400 10.0 1816.887 3703.425 911.749 0.000 0.000 -0.000 3/32400 20.0 689.517 643.032 363.917 0.000 0.000 -0.000 3/32400 30.0 193.272 201.357 111.938 0.000 0.000 -0.000 3/32400 40.0 78.071 93.853 47.388 0.000 0.000 -0.000 3/32400 50.0 41.523 54.125 25.655 0.000 0.000 -0.000 3/32400 60.0 26.257 35.773 16.337 0.000 0.000 -0.000 3/32400 70.0 18.561 25.948 11.582 0.000 0.000 -0.000 3/32400 80.0 14.139 20.090 8.831 0.000 0.000 -0.000 3/32400 90.0 11.349 16.302 7.086 0.000 0.000 -0.000 3/32400 100.0 9.460 13.694 5.900 0.000 0.000 -0.000 3/32400 110.0 8.110 11.807 5.050 0.000 0.000 -0.000 3/32400 120.0 7.104 10.387 4.414 0.000 0.000 -0.000 3/32400 130.0 6.329 9.283 3.923 0.000 0.000 -0.000 3/32400 140.0 5.715 8.403 3.534 0.000 0.000 -0.000 3/32400 150.0 5.218 7.686 3.217 0.000 0.000 -0.000 3/32400 160.0 4.807 7.091 2.955 0.000 0.000 -0.000 3/32400 170.0 4.462 6.588 2.736 0.000 0.000 -0.000 3/32400 180.0 4.168 6.159 2.548 0.000 0.000 -0.000 3/32400 190.0 3.915 5.788 2.387 0.000 0.000 -0.000 3/32400 200.0 3.695 5.464 2.246 0.000 0.000 -0.000 3/32400 210.0 3.501 5.178 2.122 0.000 0.000 -0.000 3/32400 220.0 3.330 4.924 2.013 0.000 0.000 -0.000 3/32400 230.0 3.177 4.697 1.915 0.000 0.000 -0.000 3/32400 240.0 3.039 4.492 1.827 0.000 0.000 -0.000 3/32400 250.0 2.915 4.306 1.747 0.000 0.000 -0.000 3/32400 260.0 2.801 4.137 1.675 0.000 0.000 -0.000 3/32400 270.0 2.698 3.983 1.609 0.000 0.000 -0.000 3/32400 280.0 2.603 3.840 1.548 0.000 0.000 -0.000 3/32400 290.0 2.515 3.709 1.493 0.000 0.000 -0.000 3/32400 300.0 2.434 3.587 1.441 0.000 0.000 -0.000 3/32400 310.0 2.359 3.474 1.393 0.000 0.000 -0.000 3/32400 320.0 2.289 3.369 1.349 0.000 0.000 -0.000 3/32400 330.0 2.224 3.270 1.307 0.000 0.000 -0.000 3/32400 340.0 2.162 3.178 1.268 0.000 0.000 -0.000 3/32400 350.0 2.105 3.091 1.232 0.000 0.000 -0.000 3/32400 360.0 2.050 3.009 1.198 0.000 0.000 -0.000 3/32400 370.0 1.999 2.931 1.165 0.000 0.000 -0.000 3/32400 380.0 1.950 2.858 1.135 0.000 0.000 -0.000 3/32400 390.0 1.904 2.789 1.106 0.000 0.000 -0.000 3/32400 400.0 1.861 2.723 1.079 0.000 0.000 -0.000 3/32400 410.0 1.819 2.660 1.053 0.000 0.000 -0.000 3/32400 420.0 1.780 2.601 1.028 0.000 0.000 -0.000 3/32400 430.0 1.742 2.544 1.005 0.000 0.000 -0.000 3/32400 440.0 1.706 2.490 0.982 0.000 0.000 -0.000 3/32400 450.0 1.671 2.438 0.961 0.000 0.000 -0.000 3/32400 460.0 1.638 2.388 0.940 0.000 0.000 -0.000 3/32400 470.0 1.606 2.340 0.921 0.000 0.000 -0.000 3/32400 480.0 1.576 2.294 0.902 0.000 0.000 -0.000 3/32400 490.0 1.547 2.251 0.884 0.000 0.000 -0.000 3/32400 500.0 1.518 2.208 0.867 0.000 0.000 -0.000 3/32400 510.0 1.491 2.168 0.850 0.000 0.000 -0.000 3/32400 520.0 1.465 2.129 0.834 0.000 0.000 -0.000 3/32400 530.0 1.440 2.091 0.819 0.000 0.000 -0.000 3/32400 540.0 1.415 2.054 0.804 0.000 0.000 -0.000 3/32400 550.0 1.392 2.019 0.790 0.000 0.000 -0.000 3/32400 560.0 1.369 1.985 0.776 0.000 0.000 -0.000 3/32400 570.0 1.347 1.953 0.763 0.000 0.000 -0.000 3/32400 580.0 1.326 1.921 0.750 0.000 0.000 -0.000 3/32400 590.0 1.305 1.890 0.738 0.000 0.000 -0.000 3/32400 600.0 1.285 1.860 0.726 0.000 0.000 -0.000 3/32400 610.0 1.266 1.832 0.714 0.000 0.000 -0.000 3/32400 620.0 1.247 1.804 0.703 0.000 0.000 -0.000 3/32400 630.0 1.229 1.777 0.692 0.000 0.000 -0.000 3/32400 640.0 1.211 1.750 0.682 0.000 0.000 -0.000 3/32400 650.0 1.194 1.725 0.671 0.000 0.000 -0.000 3/32400 660.0 1.177 1.700 0.662 0.000 0.000 -0.000 3/32400 670.0 1.161 1.676 0.652 0.000 0.000 -0.000 3/32400 680.0 1.145 1.653 0.643 0.000 0.000 -0.000 3/32400 690.0 1.130 1.630 0.634 0.000 0.000 -0.000 3/32400 700.0 1.115 1.608 0.625 0.000 0.000 -0.000 3/32400 710.0 1.100 1.586 0.616 0.000 0.000 -0.000 3/32400 720.0 1.086 1.565 0.608 0.000 0.000 -0.000 3/32400 730.0 1.072 1.545 0.600 0.000 0.000 -0.000 3/32400 740.0 1.058 1.525 0.592 0.000 0.000 -0.000 3/32400 750.0 1.045 1.506 0.584 0.000 0.000 -0.000 3/32400 760.0 1.032 1.487 0.577 0.000 0.000 -0.000 3/32400 770.0 1.020 1.468 0.569 0.000 0.000 -0.000 3/32400 780.0 1.008 1.450 0.562 0.000 0.000 -0.000 3/32400 790.0 0.996 1.433 0.555 0.000 0.000 -0.000 3/32400 800.0 0.984 1.416 0.548 0.000 0.000 -0.000 3/32400 810.0 0.973 1.399 0.542 0.000 0.000 -0.000 3/32400 820.0 0.961 1.382 0.535 0.000 0.000 -0.000 3/32400 830.0 0.950 1.367 0.529 0.000 0.000 -0.000 3/32400 840.0 0.940 1.351 0.523 0.000 0.000 -0.000 3/32400 850.0 0.929 1.336 0.517 0.000 0.000 -0.000 3/32400 860.0 0.919 1.321 0.511 0.000 0.000 -0.000 3/32400 870.0 0.909 1.306 0.505 0.000 0.000 -0.000 3/32400 880.0 0.899 1.292 0.500 0.000 0.000 -0.000 3/32400 890.0 0.890 1.278 0.494 0.000 0.000 -0.000 3/32400 900.0 0.880 1.264 0.489 0.000 0.000 -0.000 3/32400 910.0 0.871 1.251 0.483 0.000 0.000 -0.000 3/32400 920.0 0.862 1.238 0.478 0.000 0.000 -0.000 3/32400 930.0 0.853 1.225 0.473 0.000 0.000 -0.000 3/32400 940.0 0.845 1.212 0.468 0.000 0.000 -0.000 3/32400 950.0 0.836 1.200 0.463 0.000 0.000 -0.000 3/32400 960.0 0.828 1.188 0.459 0.000 0.000 -0.000 3/32400 970.0 0.820 1.176 0.454 0.000 0.000 -0.000 3/32400 980.0 0.812 1.164 0.449 0.000 0.000 -0.000 3/32400 990.0 0.804 1.153 0.445 0.000 0.000 -0.000 3/32400 1000.0 0.796 1.142 0.441 0.000 0.000 -0.000 3/32400 Thermal conductivity related properties were written into "kappa-m6103.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:39:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|