----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:40:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pccn (56) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.334403630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.804880109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.005908789999999 Atomic positions (fractional): *1 B 0.74543618479095 0.45097411851296 0.37185276733512 10.811 2 B 0.75456381520905 0.04902588148704 0.37185276733512 10.811 3 B 0.24543618479095 0.54902588148704 0.12814723266488 10.811 4 B 0.25456381520904 0.95097411851296 0.12814723266488 10.811 5 B 0.25456381520904 0.54902588148704 0.62814723266488 10.811 6 B 0.24543618479095 0.95097411851296 0.62814723266488 10.811 7 B 0.75456381520905 0.45097411851296 0.87185276733512 10.811 8 B 0.74543618479095 0.04902588148704 0.87185276733512 10.811 *9 B 0.53544585808872 0.13697767317715 0.12632271165240 10.811 10 B 0.96455414191128 0.36302232682285 0.12632271165240 10.811 11 B 0.03544585808871 0.86302232682285 0.37367728834760 10.811 12 B 0.46455414191129 0.63697767317715 0.37367728834760 10.811 13 B 0.46455414191129 0.86302232682285 0.87367728834759 10.811 14 B 0.03544585808871 0.63697767317715 0.87367728834759 10.811 15 B 0.96455414191128 0.13697767317715 0.62632271165241 10.811 16 B 0.53544585808872 0.36302232682285 0.62632271165241 10.811 *17 O 0.88954631404482 0.11261925815947 0.86085078255100 15.999 18 O 0.61045368595518 0.38738074184053 0.86085078255100 15.999 19 O 0.38954631404482 0.88738074184053 0.63914921744900 15.999 20 O 0.11045368595518 0.61261925815947 0.63914921744900 15.999 21 O 0.11045368595518 0.88738074184053 0.13914921744900 15.999 22 O 0.38954631404482 0.61261925815947 0.13914921744900 15.999 23 O 0.61045368595518 0.11261925815947 0.36085078255100 15.999 24 O 0.88954631404482 0.38738074184053 0.36085078255100 15.999 *25 O 0.39324891804283 0.18667509996938 0.13046784779525 15.999 26 O 0.10675108195717 0.31332490003062 0.13046784779525 15.999 27 O 0.89324891804283 0.81332490003062 0.36953215220475 15.999 28 O 0.60675108195717 0.68667509996938 0.36953215220475 15.999 29 O 0.60675108195717 0.81332490003062 0.86953215220475 15.999 30 O 0.89324891804283 0.68667509996938 0.86953215220475 15.999 31 O 0.10675108195717 0.18667509996938 0.63046784779525 15.999 32 O 0.39324891804283 0.31332490003062 0.63046784779525 15.999 *33 O 0.74197563771115 0.98942355776883 0.62203915714972 15.999 34 O 0.75802436228885 0.51057644223117 0.62203915714972 15.999 35 O 0.24197563771115 0.01057644223117 0.87796084285028 15.999 36 O 0.25802436228885 0.48942355776884 0.87796084285028 15.999 37 O 0.25802436228885 0.01057644223117 0.37796084285028 15.999 38 O 0.24197563771115 0.48942355776884 0.37796084285028 15.999 39 O 0.75802436228885 0.98942355776883 0.12203915714972 15.999 40 O 0.74197563771115 0.51057644223117 0.12203915714972 15.999 *41 O 0.59967349456982 0.10863339910871 0.88632602405995 15.999 42 O 0.90032650543018 0.39136660089129 0.88632602405995 15.999 43 O 0.09967349456982 0.89136660089129 0.61367397594005 15.999 44 O 0.40032650543018 0.60863339910871 0.61367397594005 15.999 45 O 0.40032650543018 0.89136660089129 0.11367397594005 15.999 46 O 0.09967349456982 0.60863339910871 0.11367397594005 15.999 47 O 0.90032650543018 0.10863339910871 0.38632602405995 15.999 48 O 0.59967349456982 0.39136660089129 0.38632602405995 15.999 *49 Ca 0.38414275110963 0.35590539072279 0.12157145333370 40.078 50 Ca 0.11585724889037 0.14409460927721 0.12157145333370 40.078 51 Ca 0.88414275110963 0.64409460927721 0.37842854666630 40.078 52 Ca 0.61585724889037 0.85590539072279 0.37842854666630 40.078 53 Ca 0.61585724889037 0.64409460927721 0.87842854666630 40.078 54 Ca 0.88414275110963 0.85590539072279 0.87842854666630 40.078 55 Ca 0.11585724889037 0.35590539072279 0.62157145333370 40.078 56 Ca 0.38414275110963 0.14409460927721 0.62157145333370 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.334403630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.804880109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.005908789999999 Atomic positions (fractional): *1 B 0.74543618479095 0.45097411851296 0.37185276733512 10.811 > 1 2 B 0.75456381520905 0.04902588148704 0.37185276733512 10.811 > 2 3 B 0.24543618479095 0.54902588148704 0.12814723266488 10.811 > 3 4 B 0.25456381520904 0.95097411851296 0.12814723266488 10.811 > 4 5 B 0.25456381520904 0.54902588148704 0.62814723266488 10.811 > 5 6 B 0.24543618479095 0.95097411851296 0.62814723266488 10.811 > 6 7 B 0.75456381520905 0.45097411851296 0.87185276733512 10.811 > 7 8 B 0.74543618479095 0.04902588148704 0.87185276733512 10.811 > 8 *9 B 0.53544585808872 0.13697767317715 0.12632271165240 10.811 > 9 10 B 0.96455414191128 0.36302232682285 0.12632271165240 10.811 > 10 11 B 0.03544585808871 0.86302232682285 0.37367728834760 10.811 > 11 12 B 0.46455414191129 0.63697767317715 0.37367728834760 10.811 > 12 13 B 0.46455414191129 0.86302232682285 0.87367728834759 10.811 > 13 14 B 0.03544585808871 0.63697767317715 0.87367728834759 10.811 > 14 15 B 0.96455414191128 0.13697767317715 0.62632271165241 10.811 > 15 16 B 0.53544585808872 0.36302232682285 0.62632271165241 10.811 > 16 *17 O 0.88954631404482 0.11261925815947 0.86085078255100 15.999 > 17 18 O 0.61045368595518 0.38738074184053 0.86085078255100 15.999 > 18 19 O 0.38954631404482 0.88738074184053 0.63914921744900 15.999 > 19 20 O 0.11045368595518 0.61261925815947 0.63914921744900 15.999 > 20 21 O 0.11045368595518 0.88738074184053 0.13914921744900 15.999 > 21 22 O 0.38954631404482 0.61261925815947 0.13914921744900 15.999 > 22 23 O 0.61045368595518 0.11261925815947 0.36085078255100 15.999 > 23 24 O 0.88954631404482 0.38738074184053 0.36085078255100 15.999 > 24 *25 O 0.39324891804283 0.18667509996938 0.13046784779525 15.999 > 25 26 O 0.10675108195717 0.31332490003062 0.13046784779525 15.999 > 26 27 O 0.89324891804283 0.81332490003062 0.36953215220475 15.999 > 27 28 O 0.60675108195717 0.68667509996938 0.36953215220475 15.999 > 28 29 O 0.60675108195717 0.81332490003062 0.86953215220475 15.999 > 29 30 O 0.89324891804283 0.68667509996938 0.86953215220475 15.999 > 30 31 O 0.10675108195717 0.18667509996938 0.63046784779525 15.999 > 31 32 O 0.39324891804283 0.31332490003062 0.63046784779525 15.999 > 32 *33 O 0.74197563771115 0.98942355776883 0.62203915714972 15.999 > 33 34 O 0.75802436228885 0.51057644223117 0.62203915714972 15.999 > 34 35 O 0.24197563771115 0.01057644223117 0.87796084285028 15.999 > 35 36 O 0.25802436228885 0.48942355776884 0.87796084285028 15.999 > 36 37 O 0.25802436228885 0.01057644223117 0.37796084285028 15.999 > 37 38 O 0.24197563771115 0.48942355776884 0.37796084285028 15.999 > 38 39 O 0.75802436228885 0.98942355776883 0.12203915714972 15.999 > 39 40 O 0.74197563771115 0.51057644223117 0.12203915714972 15.999 > 40 *41 O 0.59967349456982 0.10863339910871 0.88632602405995 15.999 > 41 42 O 0.90032650543018 0.39136660089129 0.88632602405995 15.999 > 42 43 O 0.09967349456982 0.89136660089129 0.61367397594005 15.999 > 43 44 O 0.40032650543018 0.60863339910871 0.61367397594005 15.999 > 44 45 O 0.40032650543018 0.89136660089129 0.11367397594005 15.999 > 45 46 O 0.09967349456982 0.60863339910871 0.11367397594005 15.999 > 46 47 O 0.90032650543018 0.10863339910871 0.38632602405995 15.999 > 47 48 O 0.59967349456982 0.39136660089129 0.38632602405995 15.999 > 48 *49 Ca 0.38414275110963 0.35590539072279 0.12157145333370 40.078 > 49 50 Ca 0.11585724889037 0.14409460927721 0.12157145333370 40.078 > 50 51 Ca 0.88414275110963 0.64409460927721 0.37842854666630 40.078 > 51 52 Ca 0.61585724889037 0.85590539072279 0.37842854666630 40.078 > 52 53 Ca 0.61585724889037 0.64409460927721 0.87842854666630 40.078 > 53 54 Ca 0.88414275110963 0.85590539072279 0.87842854666630 40.078 > 54 55 Ca 0.11585724889037 0.35590539072279 0.62157145333370 40.078 > 55 56 Ca 0.38414275110963 0.14409460927721 0.62157145333370 40.078 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.334403630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.804880109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.011817579999999 Atomic positions (fractional): *1 B 0.74543618479095 0.45097411851296 0.18592638366756 10.811 > 1 2 B 0.74543618479095 0.45097411851296 0.68592638366756 10.811 > 1 3 B 0.75456381520905 0.04902588148704 0.18592638366756 10.811 > 2 4 B 0.75456381520905 0.04902588148704 0.68592638366756 10.811 > 2 5 B 0.24543618479095 0.54902588148704 0.06407361633244 10.811 > 3 6 B 0.24543618479095 0.54902588148704 0.56407361633244 10.811 > 3 7 B 0.25456381520904 0.95097411851296 0.06407361633244 10.811 > 4 8 B 0.25456381520904 0.95097411851296 0.56407361633244 10.811 > 4 9 B 0.25456381520904 0.54902588148704 0.31407361633244 10.811 > 5 10 B 0.25456381520904 0.54902588148704 0.81407361633244 10.811 > 5 11 B 0.24543618479095 0.95097411851296 0.31407361633244 10.811 > 6 12 B 0.24543618479095 0.95097411851296 0.81407361633244 10.811 > 6 13 B 0.75456381520905 0.45097411851296 0.43592638366756 10.811 > 7 14 B 0.75456381520905 0.45097411851296 0.93592638366756 10.811 > 7 15 B 0.74543618479095 0.04902588148704 0.43592638366756 10.811 > 8 16 B 0.74543618479095 0.04902588148704 0.93592638366756 10.811 > 8 *17 B 0.53544585808872 0.13697767317715 0.06316135582620 10.811 > 9 18 B 0.53544585808872 0.13697767317715 0.56316135582620 10.811 > 9 19 B 0.96455414191128 0.36302232682285 0.06316135582620 10.811 > 10 20 B 0.96455414191128 0.36302232682285 0.56316135582620 10.811 > 10 21 B 0.03544585808871 0.86302232682285 0.18683864417380 10.811 > 11 22 B 0.03544585808871 0.86302232682285 0.68683864417380 10.811 > 11 23 B 0.46455414191129 0.63697767317715 0.18683864417380 10.811 > 12 24 B 0.46455414191129 0.63697767317715 0.68683864417380 10.811 > 12 25 B 0.46455414191129 0.86302232682285 0.43683864417380 10.811 > 13 26 B 0.46455414191129 0.86302232682285 0.93683864417380 10.811 > 13 27 B 0.03544585808871 0.63697767317715 0.43683864417380 10.811 > 14 28 B 0.03544585808871 0.63697767317715 0.93683864417380 10.811 > 14 29 B 0.96455414191128 0.13697767317715 0.31316135582620 10.811 > 15 30 B 0.96455414191128 0.13697767317715 0.81316135582620 10.811 > 15 31 B 0.53544585808872 0.36302232682285 0.31316135582620 10.811 > 16 32 B 0.53544585808872 0.36302232682285 0.81316135582620 10.811 > 16 *33 O 0.88954631404482 0.11261925815947 0.43042539127550 15.999 > 17 34 O 0.88954631404482 0.11261925815947 0.93042539127550 15.999 > 17 35 O 0.61045368595518 0.38738074184053 0.43042539127550 15.999 > 18 36 O 0.61045368595518 0.38738074184053 0.93042539127550 15.999 > 18 37 O 0.38954631404482 0.88738074184053 0.31957460872450 15.999 > 19 38 O 0.38954631404482 0.88738074184053 0.81957460872450 15.999 > 19 39 O 0.11045368595518 0.61261925815947 0.31957460872450 15.999 > 20 40 O 0.11045368595518 0.61261925815947 0.81957460872450 15.999 > 20 41 O 0.11045368595518 0.88738074184053 0.06957460872450 15.999 > 21 42 O 0.11045368595518 0.88738074184053 0.56957460872450 15.999 > 21 43 O 0.38954631404482 0.61261925815947 0.06957460872450 15.999 > 22 44 O 0.38954631404482 0.61261925815947 0.56957460872450 15.999 > 22 45 O 0.61045368595518 0.11261925815947 0.18042539127550 15.999 > 23 46 O 0.61045368595518 0.11261925815947 0.68042539127550 15.999 > 23 47 O 0.88954631404482 0.38738074184053 0.18042539127550 15.999 > 24 48 O 0.88954631404482 0.38738074184053 0.68042539127550 15.999 > 24 *49 O 0.39324891804283 0.18667509996938 0.06523392389763 15.999 > 25 50 O 0.39324891804283 0.18667509996938 0.56523392389763 15.999 > 25 51 O 0.10675108195717 0.31332490003062 0.06523392389763 15.999 > 26 52 O 0.10675108195717 0.31332490003062 0.56523392389763 15.999 > 26 53 O 0.89324891804283 0.81332490003062 0.18476607610237 15.999 > 27 54 O 0.89324891804283 0.81332490003062 0.68476607610237 15.999 > 27 55 O 0.60675108195717 0.68667509996938 0.18476607610237 15.999 > 28 56 O 0.60675108195717 0.68667509996938 0.68476607610237 15.999 > 28 57 O 0.60675108195717 0.81332490003062 0.43476607610237 15.999 > 29 58 O 0.60675108195717 0.81332490003062 0.93476607610237 15.999 > 29 59 O 0.89324891804283 0.68667509996938 0.43476607610237 15.999 > 30 60 O 0.89324891804283 0.68667509996938 0.93476607610237 15.999 > 30 61 O 0.10675108195717 0.18667509996938 0.31523392389763 15.999 > 31 62 O 0.10675108195717 0.18667509996938 0.81523392389763 15.999 > 31 63 O 0.39324891804283 0.31332490003062 0.31523392389763 15.999 > 32 64 O 0.39324891804283 0.31332490003062 0.81523392389763 15.999 > 32 *65 O 0.74197563771115 0.98942355776883 0.31101957857486 15.999 > 33 66 O 0.74197563771115 0.98942355776883 0.81101957857486 15.999 > 33 67 O 0.75802436228885 0.51057644223117 0.31101957857486 15.999 > 34 68 O 0.75802436228885 0.51057644223117 0.81101957857486 15.999 > 34 69 O 0.24197563771115 0.01057644223117 0.43898042142514 15.999 > 35 70 O 0.24197563771115 0.01057644223117 0.93898042142514 15.999 > 35 71 O 0.25802436228885 0.48942355776884 0.43898042142514 15.999 > 36 72 O 0.25802436228885 0.48942355776884 0.93898042142514 15.999 > 36 73 O 0.25802436228885 0.01057644223117 0.18898042142514 15.999 > 37 74 O 0.25802436228885 0.01057644223117 0.68898042142514 15.999 > 37 75 O 0.24197563771115 0.48942355776884 0.18898042142514 15.999 > 38 76 O 0.24197563771115 0.48942355776884 0.68898042142514 15.999 > 38 77 O 0.75802436228885 0.98942355776883 0.06101957857486 15.999 > 39 78 O 0.75802436228885 0.98942355776883 0.56101957857486 15.999 > 39 79 O 0.74197563771115 0.51057644223117 0.06101957857486 15.999 > 40 80 O 0.74197563771115 0.51057644223117 0.56101957857486 15.999 > 40 *81 O 0.59967349456982 0.10863339910871 0.44316301202998 15.999 > 41 82 O 0.59967349456982 0.10863339910871 0.94316301202998 15.999 > 41 83 O 0.90032650543018 0.39136660089129 0.44316301202998 15.999 > 42 84 O 0.90032650543018 0.39136660089129 0.94316301202998 15.999 > 42 85 O 0.09967349456982 0.89136660089129 0.30683698797002 15.999 > 43 86 O 0.09967349456982 0.89136660089129 0.80683698797002 15.999 > 43 87 O 0.40032650543018 0.60863339910871 0.30683698797002 15.999 > 44 88 O 0.40032650543018 0.60863339910871 0.80683698797002 15.999 > 44 89 O 0.40032650543018 0.89136660089129 0.05683698797002 15.999 > 45 90 O 0.40032650543018 0.89136660089129 0.55683698797002 15.999 > 45 91 O 0.09967349456982 0.60863339910871 0.05683698797002 15.999 > 46 92 O 0.09967349456982 0.60863339910871 0.55683698797002 15.999 > 46 93 O 0.90032650543018 0.10863339910871 0.19316301202998 15.999 > 47 94 O 0.90032650543018 0.10863339910871 0.69316301202998 15.999 > 47 95 O 0.59967349456982 0.39136660089129 0.19316301202998 15.999 > 48 96 O 0.59967349456982 0.39136660089129 0.69316301202998 15.999 > 48 *97 Ca 0.38414275110963 0.35590539072279 0.06078572666685 40.078 > 49 98 Ca 0.38414275110963 0.35590539072279 0.56078572666685 40.078 > 49 99 Ca 0.11585724889037 0.14409460927721 0.06078572666685 40.078 > 50 100 Ca 0.11585724889037 0.14409460927721 0.56078572666685 40.078 > 50 101 Ca 0.88414275110963 0.64409460927721 0.18921427333315 40.078 > 51 102 Ca 0.88414275110963 0.64409460927721 0.68921427333315 40.078 > 51 103 Ca 0.61585724889037 0.85590539072279 0.18921427333315 40.078 > 52 104 Ca 0.61585724889037 0.85590539072279 0.68921427333315 40.078 > 52 105 Ca 0.61585724889037 0.64409460927721 0.43921427333315 40.078 > 53 106 Ca 0.61585724889037 0.64409460927721 0.93921427333315 40.078 > 53 107 Ca 0.88414275110963 0.85590539072279 0.43921427333315 40.078 > 54 108 Ca 0.88414275110963 0.85590539072279 0.93921427333315 40.078 > 54 109 Ca 0.11585724889037 0.35590539072279 0.31078572666685 40.078 > 55 110 Ca 0.11585724889037 0.35590539072279 0.81078572666685 40.078 > 55 111 Ca 0.38414275110963 0.14409460927721 0.31078572666685 40.078 > 56 112 Ca 0.38414275110963 0.14409460927721 0.81078572666685 40.078 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9891152 0.0000000 0.0000000 0.0000000 2.7473028 0.0000000 0.0000000 0.0000000 3.0627580 -------------------------- Born effective charges -------------------------- 1 B 2.6441311 -0.0292253 -0.1569897 0.0263621 1.9910785 -0.0058431 -0.4297237 -0.0031951 2.6729961 2 B 2.6441311 -0.0292253 0.1569897 0.0263621 1.9910785 0.0058431 0.4297237 0.0031951 2.6729961 3 B 2.6441311 0.0292253 0.1569897 -0.0263621 1.9910785 -0.0058431 0.4297237 -0.0031951 2.6729961 4 B 2.6441311 0.0292253 -0.1569897 -0.0263621 1.9910785 0.0058431 -0.4297237 0.0031951 2.6729961 5 B 2.6441311 -0.0292253 -0.1569897 0.0263621 1.9910785 -0.0058431 -0.4297237 -0.0031951 2.6729961 6 B 2.6441311 -0.0292253 0.1569897 0.0263621 1.9910785 0.0058431 0.4297237 0.0031951 2.6729961 7 B 2.6441311 0.0292253 0.1569897 -0.0263621 1.9910785 -0.0058431 0.4297237 -0.0031951 2.6729961 8 B 2.6441311 0.0292253 -0.1569897 -0.0263621 1.9910785 0.0058431 -0.4297237 0.0031951 2.6729961 9 B 2.2426088 -0.9614749 0.0304648 -1.0037363 1.2896861 0.0317242 0.0227579 0.0652045 2.4846661 10 B 2.2426088 -0.9614749 -0.0304648 -1.0037363 1.2896861 -0.0317242 -0.0227579 -0.0652045 2.4846661 11 B 2.2426088 0.9614749 -0.0304648 1.0037363 1.2896861 0.0317242 -0.0227579 0.0652045 2.4846661 12 B 2.2426088 0.9614749 0.0304648 1.0037363 1.2896861 -0.0317242 0.0227579 -0.0652045 2.4846661 13 B 2.2426088 -0.9614749 0.0304648 -1.0037363 1.2896861 0.0317242 0.0227579 0.0652045 2.4846661 14 B 2.2426088 -0.9614749 -0.0304648 -1.0037363 1.2896861 -0.0317242 -0.0227579 -0.0652045 2.4846661 15 B 2.2426088 0.9614749 -0.0304648 1.0037363 1.2896861 0.0317242 -0.0227579 0.0652045 2.4846661 16 B 2.2426088 0.9614749 0.0304648 1.0037363 1.2896861 -0.0317242 0.0227579 -0.0652045 2.4846661 17 O -1.9940262 -0.7601140 0.3313773 -0.6454701 -1.1520099 0.2091832 0.3754595 0.2505417 -1.7986866 18 O -1.9940262 -0.7601140 -0.3313773 -0.6454701 -1.1520099 -0.2091832 -0.3754595 -0.2505417 -1.7986866 19 O -1.9940262 0.7601140 -0.3313773 0.6454701 -1.1520099 0.2091832 -0.3754595 0.2505417 -1.7986866 20 O -1.9940262 0.7601140 0.3313773 0.6454701 -1.1520099 -0.2091832 0.3754595 -0.2505417 -1.7986866 21 O -1.9940262 -0.7601140 0.3313773 -0.6454701 -1.1520099 0.2091832 0.3754595 0.2505417 -1.7986866 22 O -1.9940262 -0.7601140 -0.3313773 -0.6454701 -1.1520099 -0.2091832 -0.3754595 -0.2505417 -1.7986866 23 O -1.9940262 0.7601140 -0.3313773 0.6454701 -1.1520099 0.2091832 -0.3754595 0.2505417 -1.7986866 24 O -1.9940262 0.7601140 0.3313773 0.6454701 -1.1520099 -0.2091832 0.3754595 -0.2505417 -1.7986866 25 O -2.1466028 0.4963595 0.0013045 0.5024025 -1.7756136 0.0079555 0.0110872 0.0047235 -1.5770698 26 O -2.1466028 0.4963595 -0.0013045 0.5024025 -1.7756136 -0.0079555 -0.0110872 -0.0047235 -1.5770698 27 O -2.1466028 -0.4963595 -0.0013045 -0.5024025 -1.7756136 0.0079555 -0.0110872 0.0047235 -1.5770698 28 O -2.1466028 -0.4963595 0.0013045 -0.5024025 -1.7756136 -0.0079555 0.0110872 -0.0047235 -1.5770698 29 O -2.1466028 0.4963595 0.0013045 0.5024025 -1.7756136 0.0079555 0.0110872 0.0047235 -1.5770698 30 O -2.1466028 0.4963595 -0.0013045 0.5024025 -1.7756136 -0.0079555 -0.0110872 -0.0047235 -1.5770698 31 O -2.1466028 -0.4963595 -0.0013045 -0.5024025 -1.7756136 0.0079555 -0.0110872 0.0047235 -1.5770698 32 O -2.1466028 -0.4963595 0.0013045 -0.5024025 -1.7756136 -0.0079555 0.0110872 -0.0047235 -1.5770698 33 O -1.2191307 -0.0964955 -0.0676155 -0.0948949 -1.6167168 -0.0198492 -0.0626490 -0.0152301 -2.3952505 34 O -1.2191307 -0.0964955 0.0676155 -0.0948949 -1.6167168 0.0198492 0.0626490 0.0152301 -2.3952505 35 O -1.2191307 0.0964955 0.0676155 0.0948949 -1.6167168 -0.0198492 0.0626490 -0.0152301 -2.3952505 36 O -1.2191307 0.0964955 -0.0676155 0.0948949 -1.6167168 0.0198492 -0.0626490 0.0152301 -2.3952505 37 O -1.2191307 -0.0964955 -0.0676155 -0.0948949 -1.6167168 -0.0198492 -0.0626490 -0.0152301 -2.3952505 38 O -1.2191307 -0.0964955 0.0676155 -0.0948949 -1.6167168 0.0198492 0.0626490 0.0152301 -2.3952505 39 O -1.2191307 0.0964955 0.0676155 0.0948949 -1.6167168 -0.0198492 0.0626490 -0.0152301 -2.3952505 40 O -1.2191307 0.0964955 -0.0676155 0.0948949 -1.6167168 0.0198492 -0.0626490 0.0152301 -2.3952505 41 O -1.9680560 0.7467127 0.2797483 0.6402387 -1.1314850 -0.2316089 0.3303287 -0.2882692 -1.8427356 42 O -1.9680560 0.7467127 -0.2797483 0.6402387 -1.1314850 0.2316089 -0.3303287 0.2882692 -1.8427356 43 O -1.9680560 -0.7467127 -0.2797483 -0.6402387 -1.1314850 -0.2316089 -0.3303287 -0.2882692 -1.8427356 44 O -1.9680560 -0.7467127 0.2797483 -0.6402387 -1.1314850 0.2316089 0.3303287 0.2882692 -1.8427356 45 O -1.9680560 0.7467127 0.2797483 0.6402387 -1.1314850 -0.2316089 0.3303287 -0.2882692 -1.8427356 46 O -1.9680560 0.7467127 -0.2797483 0.6402387 -1.1314850 0.2316089 -0.3303287 0.2882692 -1.8427356 47 O -1.9680560 -0.7467127 -0.2797483 -0.6402387 -1.1314850 -0.2316089 -0.3303287 -0.2882692 -1.8427356 48 O -1.9680560 -0.7467127 0.2797483 -0.6402387 -1.1314850 0.2316089 0.3303287 0.2882692 -1.8427356 49 Ca 2.4410757 -0.0316067 0.0168225 -0.0418314 2.3950607 -0.0113851 0.0064592 0.0031354 2.4560804 50 Ca 2.4410757 -0.0316067 -0.0168225 -0.0418314 2.3950607 0.0113851 -0.0064592 -0.0031354 2.4560804 51 Ca 2.4410757 0.0316067 -0.0168225 0.0418314 2.3950607 -0.0113851 -0.0064592 0.0031354 2.4560804 52 Ca 2.4410757 0.0316067 0.0168225 0.0418314 2.3950607 0.0113851 0.0064592 -0.0031354 2.4560804 53 Ca 2.4410757 -0.0316067 0.0168225 -0.0418314 2.3950607 -0.0113851 0.0064592 0.0031354 2.4560804 54 Ca 2.4410757 -0.0316067 -0.0168225 -0.0418314 2.3950607 0.0113851 -0.0064592 -0.0031354 2.4560804 55 Ca 2.4410757 0.0316067 -0.0168225 0.0418314 2.3950607 -0.0113851 -0.0064592 0.0031354 2.4560804 56 Ca 2.4410757 0.0316067 0.0168225 0.0418314 2.3950607 0.0113851 0.0064592 -0.0031354 2.4560804 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3591), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 880 - Time: 1.394 Solver_block: 200 / 880 - Time: 1.290 Solver_block: 300 / 880 - Time: 1.306 Solver_block: 400 / 880 - Time: 1.321 Solver_block: 500 / 880 - Time: 1.300 Solver_block: 600 / 880 - Time: 1.288 Solver_block: 700 / 880 - Time: 1.287 Solver_block: 800 / 880 - Time: 1.286 Solver_block: 880 / 880 - Time: 1.137 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.810 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3591), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:41:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:41:13]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pccn (56) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.334403630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.804880109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.005908789999999 Atomic positions (fractional): 1 B 0.74543618479095 0.45097411851296 0.37185276733512 10.811 2 B 0.75456381520905 0.04902588148704 0.37185276733512 10.811 3 B 0.24543618479095 0.54902588148704 0.12814723266488 10.811 4 B 0.25456381520904 0.95097411851296 0.12814723266488 10.811 5 B 0.25456381520904 0.54902588148704 0.62814723266488 10.811 6 B 0.24543618479095 0.95097411851296 0.62814723266488 10.811 7 B 0.75456381520905 0.45097411851296 0.87185276733512 10.811 8 B 0.74543618479095 0.04902588148704 0.87185276733512 10.811 9 B 0.53544585808872 0.13697767317715 0.12632271165240 10.811 10 B 0.96455414191128 0.36302232682285 0.12632271165240 10.811 11 B 0.03544585808871 0.86302232682285 0.37367728834760 10.811 12 B 0.46455414191129 0.63697767317715 0.37367728834760 10.811 13 B 0.46455414191129 0.86302232682285 0.87367728834759 10.811 14 B 0.03544585808871 0.63697767317715 0.87367728834759 10.811 15 B 0.96455414191128 0.13697767317715 0.62632271165241 10.811 16 B 0.53544585808872 0.36302232682285 0.62632271165241 10.811 17 O 0.88954631404482 0.11261925815947 0.86085078255100 15.999 18 O 0.61045368595518 0.38738074184053 0.86085078255100 15.999 19 O 0.38954631404482 0.88738074184053 0.63914921744900 15.999 20 O 0.11045368595518 0.61261925815947 0.63914921744900 15.999 21 O 0.11045368595518 0.88738074184053 0.13914921744900 15.999 22 O 0.38954631404482 0.61261925815947 0.13914921744900 15.999 23 O 0.61045368595518 0.11261925815947 0.36085078255100 15.999 24 O 0.88954631404482 0.38738074184053 0.36085078255100 15.999 25 O 0.39324891804283 0.18667509996938 0.13046784779525 15.999 26 O 0.10675108195717 0.31332490003062 0.13046784779525 15.999 27 O 0.89324891804283 0.81332490003062 0.36953215220475 15.999 28 O 0.60675108195717 0.68667509996938 0.36953215220475 15.999 29 O 0.60675108195717 0.81332490003062 0.86953215220475 15.999 30 O 0.89324891804283 0.68667509996938 0.86953215220475 15.999 31 O 0.10675108195717 0.18667509996938 0.63046784779525 15.999 32 O 0.39324891804283 0.31332490003062 0.63046784779525 15.999 33 O 0.74197563771115 0.98942355776883 0.62203915714972 15.999 34 O 0.75802436228885 0.51057644223117 0.62203915714972 15.999 35 O 0.24197563771115 0.01057644223117 0.87796084285028 15.999 36 O 0.25802436228885 0.48942355776884 0.87796084285028 15.999 37 O 0.25802436228885 0.01057644223117 0.37796084285028 15.999 38 O 0.24197563771115 0.48942355776884 0.37796084285028 15.999 39 O 0.75802436228885 0.98942355776883 0.12203915714972 15.999 40 O 0.74197563771115 0.51057644223117 0.12203915714972 15.999 41 O 0.59967349456982 0.10863339910871 0.88632602405995 15.999 42 O 0.90032650543018 0.39136660089129 0.88632602405995 15.999 43 O 0.09967349456982 0.89136660089129 0.61367397594005 15.999 44 O 0.40032650543018 0.60863339910871 0.61367397594005 15.999 45 O 0.40032650543018 0.89136660089129 0.11367397594005 15.999 46 O 0.09967349456982 0.60863339910871 0.11367397594005 15.999 47 O 0.90032650543018 0.10863339910871 0.38632602405995 15.999 48 O 0.59967349456982 0.39136660089129 0.38632602405995 15.999 49 Ca 0.38414275110963 0.35590539072279 0.12157145333370 40.078 50 Ca 0.11585724889037 0.14409460927721 0.12157145333370 40.078 51 Ca 0.88414275110963 0.64409460927721 0.37842854666630 40.078 52 Ca 0.61585724889037 0.85590539072279 0.37842854666630 40.078 53 Ca 0.61585724889037 0.64409460927721 0.87842854666630 40.078 54 Ca 0.88414275110963 0.85590539072279 0.87842854666630 40.078 55 Ca 0.11585724889037 0.35590539072279 0.62157145333370 40.078 56 Ca 0.38414275110963 0.14409460927721 0.62157145333370 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.334403630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.804880109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.011817579999999 Atomic positions (fractional): 1 B 0.74543618479095 0.45097411851296 0.18592638366756 10.811 > 1 2 B 0.74543618479095 0.45097411851296 0.68592638366756 10.811 > 1 3 B 0.75456381520905 0.04902588148704 0.18592638366756 10.811 > 3 4 B 0.75456381520905 0.04902588148704 0.68592638366756 10.811 > 3 5 B 0.24543618479095 0.54902588148704 0.06407361633244 10.811 > 5 6 B 0.24543618479095 0.54902588148704 0.56407361633244 10.811 > 5 7 B 0.25456381520904 0.95097411851296 0.06407361633244 10.811 > 7 8 B 0.25456381520904 0.95097411851296 0.56407361633244 10.811 > 7 9 B 0.25456381520904 0.54902588148704 0.31407361633244 10.811 > 9 10 B 0.25456381520904 0.54902588148704 0.81407361633244 10.811 > 9 11 B 0.24543618479095 0.95097411851296 0.31407361633244 10.811 > 11 12 B 0.24543618479095 0.95097411851296 0.81407361633244 10.811 > 11 13 B 0.75456381520905 0.45097411851296 0.43592638366756 10.811 > 13 14 B 0.75456381520905 0.45097411851296 0.93592638366756 10.811 > 13 15 B 0.74543618479095 0.04902588148704 0.43592638366756 10.811 > 15 16 B 0.74543618479095 0.04902588148704 0.93592638366756 10.811 > 15 17 B 0.53544585808872 0.13697767317715 0.06316135582620 10.811 > 17 18 B 0.53544585808872 0.13697767317715 0.56316135582620 10.811 > 17 19 B 0.96455414191128 0.36302232682285 0.06316135582620 10.811 > 19 20 B 0.96455414191128 0.36302232682285 0.56316135582620 10.811 > 19 21 B 0.03544585808871 0.86302232682285 0.18683864417380 10.811 > 21 22 B 0.03544585808871 0.86302232682285 0.68683864417380 10.811 > 21 23 B 0.46455414191129 0.63697767317715 0.18683864417380 10.811 > 23 24 B 0.46455414191129 0.63697767317715 0.68683864417380 10.811 > 23 25 B 0.46455414191129 0.86302232682285 0.43683864417380 10.811 > 25 26 B 0.46455414191129 0.86302232682285 0.93683864417380 10.811 > 25 27 B 0.03544585808871 0.63697767317715 0.43683864417380 10.811 > 27 28 B 0.03544585808871 0.63697767317715 0.93683864417380 10.811 > 27 29 B 0.96455414191128 0.13697767317715 0.31316135582620 10.811 > 29 30 B 0.96455414191128 0.13697767317715 0.81316135582620 10.811 > 29 31 B 0.53544585808872 0.36302232682285 0.31316135582620 10.811 > 31 32 B 0.53544585808872 0.36302232682285 0.81316135582620 10.811 > 31 33 O 0.88954631404482 0.11261925815947 0.43042539127550 15.999 > 33 34 O 0.88954631404482 0.11261925815947 0.93042539127550 15.999 > 33 35 O 0.61045368595518 0.38738074184053 0.43042539127550 15.999 > 35 36 O 0.61045368595518 0.38738074184053 0.93042539127550 15.999 > 35 37 O 0.38954631404482 0.88738074184053 0.31957460872450 15.999 > 37 38 O 0.38954631404482 0.88738074184053 0.81957460872450 15.999 > 37 39 O 0.11045368595518 0.61261925815947 0.31957460872450 15.999 > 39 40 O 0.11045368595518 0.61261925815947 0.81957460872450 15.999 > 39 41 O 0.11045368595518 0.88738074184053 0.06957460872450 15.999 > 41 42 O 0.11045368595518 0.88738074184053 0.56957460872450 15.999 > 41 43 O 0.38954631404482 0.61261925815947 0.06957460872450 15.999 > 43 44 O 0.38954631404482 0.61261925815947 0.56957460872450 15.999 > 43 45 O 0.61045368595518 0.11261925815947 0.18042539127550 15.999 > 45 46 O 0.61045368595518 0.11261925815947 0.68042539127550 15.999 > 45 47 O 0.88954631404482 0.38738074184053 0.18042539127550 15.999 > 47 48 O 0.88954631404482 0.38738074184053 0.68042539127550 15.999 > 47 49 O 0.39324891804283 0.18667509996938 0.06523392389763 15.999 > 49 50 O 0.39324891804283 0.18667509996938 0.56523392389763 15.999 > 49 51 O 0.10675108195717 0.31332490003062 0.06523392389763 15.999 > 51 52 O 0.10675108195717 0.31332490003062 0.56523392389763 15.999 > 51 53 O 0.89324891804283 0.81332490003062 0.18476607610237 15.999 > 53 54 O 0.89324891804283 0.81332490003062 0.68476607610237 15.999 > 53 55 O 0.60675108195717 0.68667509996938 0.18476607610237 15.999 > 55 56 O 0.60675108195717 0.68667509996938 0.68476607610237 15.999 > 55 57 O 0.60675108195717 0.81332490003062 0.43476607610237 15.999 > 57 58 O 0.60675108195717 0.81332490003062 0.93476607610237 15.999 > 57 59 O 0.89324891804283 0.68667509996938 0.43476607610237 15.999 > 59 60 O 0.89324891804283 0.68667509996938 0.93476607610237 15.999 > 59 61 O 0.10675108195717 0.18667509996938 0.31523392389763 15.999 > 61 62 O 0.10675108195717 0.18667509996938 0.81523392389763 15.999 > 61 63 O 0.39324891804283 0.31332490003062 0.31523392389763 15.999 > 63 64 O 0.39324891804283 0.31332490003062 0.81523392389763 15.999 > 63 65 O 0.74197563771115 0.98942355776883 0.31101957857486 15.999 > 65 66 O 0.74197563771115 0.98942355776883 0.81101957857486 15.999 > 65 67 O 0.75802436228885 0.51057644223117 0.31101957857486 15.999 > 67 68 O 0.75802436228885 0.51057644223117 0.81101957857486 15.999 > 67 69 O 0.24197563771115 0.01057644223117 0.43898042142514 15.999 > 69 70 O 0.24197563771115 0.01057644223117 0.93898042142514 15.999 > 69 71 O 0.25802436228885 0.48942355776884 0.43898042142514 15.999 > 71 72 O 0.25802436228885 0.48942355776884 0.93898042142514 15.999 > 71 73 O 0.25802436228885 0.01057644223117 0.18898042142514 15.999 > 73 74 O 0.25802436228885 0.01057644223117 0.68898042142514 15.999 > 73 75 O 0.24197563771115 0.48942355776884 0.18898042142514 15.999 > 75 76 O 0.24197563771115 0.48942355776884 0.68898042142514 15.999 > 75 77 O 0.75802436228885 0.98942355776883 0.06101957857486 15.999 > 77 78 O 0.75802436228885 0.98942355776883 0.56101957857486 15.999 > 77 79 O 0.74197563771115 0.51057644223117 0.06101957857486 15.999 > 79 80 O 0.74197563771115 0.51057644223117 0.56101957857486 15.999 > 79 81 O 0.59967349456982 0.10863339910871 0.44316301202998 15.999 > 81 82 O 0.59967349456982 0.10863339910871 0.94316301202998 15.999 > 81 83 O 0.90032650543018 0.39136660089129 0.44316301202998 15.999 > 83 84 O 0.90032650543018 0.39136660089129 0.94316301202998 15.999 > 83 85 O 0.09967349456982 0.89136660089129 0.30683698797002 15.999 > 85 86 O 0.09967349456982 0.89136660089129 0.80683698797002 15.999 > 85 87 O 0.40032650543018 0.60863339910871 0.30683698797002 15.999 > 87 88 O 0.40032650543018 0.60863339910871 0.80683698797002 15.999 > 87 89 O 0.40032650543018 0.89136660089129 0.05683698797002 15.999 > 89 90 O 0.40032650543018 0.89136660089129 0.55683698797002 15.999 > 89 91 O 0.09967349456982 0.60863339910871 0.05683698797002 15.999 > 91 92 O 0.09967349456982 0.60863339910871 0.55683698797002 15.999 > 91 93 O 0.90032650543018 0.10863339910871 0.19316301202998 15.999 > 93 94 O 0.90032650543018 0.10863339910871 0.69316301202998 15.999 > 93 95 O 0.59967349456982 0.39136660089129 0.19316301202998 15.999 > 95 96 O 0.59967349456982 0.39136660089129 0.69316301202998 15.999 > 95 97 Ca 0.38414275110963 0.35590539072279 0.06078572666685 40.078 > 97 98 Ca 0.38414275110963 0.35590539072279 0.56078572666685 40.078 > 97 99 Ca 0.11585724889037 0.14409460927721 0.06078572666685 40.078 > 99 100 Ca 0.11585724889037 0.14409460927721 0.56078572666685 40.078 > 99 101 Ca 0.88414275110963 0.64409460927721 0.18921427333315 40.078 > 101 102 Ca 0.88414275110963 0.64409460927721 0.68921427333315 40.078 > 101 103 Ca 0.61585724889037 0.85590539072279 0.18921427333315 40.078 > 103 104 Ca 0.61585724889037 0.85590539072279 0.68921427333315 40.078 > 103 105 Ca 0.61585724889037 0.64409460927721 0.43921427333315 40.078 > 105 106 Ca 0.61585724889037 0.64409460927721 0.93921427333315 40.078 > 105 107 Ca 0.88414275110963 0.85590539072279 0.43921427333315 40.078 > 107 108 Ca 0.88414275110963 0.85590539072279 0.93921427333315 40.078 > 107 109 Ca 0.11585724889037 0.35590539072279 0.31078572666685 40.078 > 109 110 Ca 0.11585724889037 0.35590539072279 0.81078572666685 40.078 > 109 111 Ca 0.38414275110963 0.14409460927721 0.31078572666685 40.078 > 111 112 Ca 0.38414275110963 0.14409460927721 0.81078572666685 40.078 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9891152 0.0000000 0.0000000 0.0000000 2.7473028 0.0000000 0.0000000 0.0000000 3.0627580 -------------------------- Born effective charges -------------------------- 1 B 2.6441311 -0.0292253 -0.1569897 0.0263621 1.9910785 -0.0058431 -0.4297237 -0.0031951 2.6729961 2 B 2.6441311 -0.0292253 0.1569897 0.0263621 1.9910785 0.0058431 0.4297237 0.0031951 2.6729961 3 B 2.6441311 0.0292253 0.1569897 -0.0263621 1.9910785 -0.0058431 0.4297237 -0.0031951 2.6729961 4 B 2.6441311 0.0292253 -0.1569897 -0.0263621 1.9910785 0.0058431 -0.4297237 0.0031951 2.6729961 5 B 2.6441311 -0.0292253 -0.1569897 0.0263621 1.9910785 -0.0058431 -0.4297237 -0.0031951 2.6729961 6 B 2.6441311 -0.0292253 0.1569897 0.0263621 1.9910785 0.0058431 0.4297237 0.0031951 2.6729961 7 B 2.6441311 0.0292253 0.1569897 -0.0263621 1.9910785 -0.0058431 0.4297237 -0.0031951 2.6729961 8 B 2.6441311 0.0292253 -0.1569897 -0.0263621 1.9910785 0.0058431 -0.4297237 0.0031951 2.6729961 9 B 2.2426088 -0.9614749 0.0304648 -1.0037363 1.2896861 0.0317242 0.0227579 0.0652045 2.4846661 10 B 2.2426088 -0.9614749 -0.0304648 -1.0037363 1.2896861 -0.0317242 -0.0227579 -0.0652045 2.4846661 11 B 2.2426088 0.9614749 -0.0304648 1.0037363 1.2896861 0.0317242 -0.0227579 0.0652045 2.4846661 12 B 2.2426088 0.9614749 0.0304648 1.0037363 1.2896861 -0.0317242 0.0227579 -0.0652045 2.4846661 13 B 2.2426088 -0.9614749 0.0304648 -1.0037363 1.2896861 0.0317242 0.0227579 0.0652045 2.4846661 14 B 2.2426088 -0.9614749 -0.0304648 -1.0037363 1.2896861 -0.0317242 -0.0227579 -0.0652045 2.4846661 15 B 2.2426088 0.9614749 -0.0304648 1.0037363 1.2896861 0.0317242 -0.0227579 0.0652045 2.4846661 16 B 2.2426088 0.9614749 0.0304648 1.0037363 1.2896861 -0.0317242 0.0227579 -0.0652045 2.4846661 17 O -1.9940262 -0.7601140 0.3313773 -0.6454701 -1.1520099 0.2091832 0.3754595 0.2505417 -1.7986866 18 O -1.9940262 -0.7601140 -0.3313773 -0.6454701 -1.1520099 -0.2091832 -0.3754595 -0.2505417 -1.7986866 19 O -1.9940262 0.7601140 -0.3313773 0.6454701 -1.1520099 0.2091832 -0.3754595 0.2505417 -1.7986866 20 O -1.9940262 0.7601140 0.3313773 0.6454701 -1.1520099 -0.2091832 0.3754595 -0.2505417 -1.7986866 21 O -1.9940262 -0.7601140 0.3313773 -0.6454701 -1.1520099 0.2091832 0.3754595 0.2505417 -1.7986866 22 O -1.9940262 -0.7601140 -0.3313773 -0.6454701 -1.1520099 -0.2091832 -0.3754595 -0.2505417 -1.7986866 23 O -1.9940262 0.7601140 -0.3313773 0.6454701 -1.1520099 0.2091832 -0.3754595 0.2505417 -1.7986866 24 O -1.9940262 0.7601140 0.3313773 0.6454701 -1.1520099 -0.2091832 0.3754595 -0.2505417 -1.7986866 25 O -2.1466028 0.4963595 0.0013045 0.5024025 -1.7756136 0.0079555 0.0110872 0.0047235 -1.5770698 26 O -2.1466028 0.4963595 -0.0013045 0.5024025 -1.7756136 -0.0079555 -0.0110872 -0.0047235 -1.5770698 27 O -2.1466028 -0.4963595 -0.0013045 -0.5024025 -1.7756136 0.0079555 -0.0110872 0.0047235 -1.5770698 28 O -2.1466028 -0.4963595 0.0013045 -0.5024025 -1.7756136 -0.0079555 0.0110872 -0.0047235 -1.5770698 29 O -2.1466028 0.4963595 0.0013045 0.5024025 -1.7756136 0.0079555 0.0110872 0.0047235 -1.5770698 30 O -2.1466028 0.4963595 -0.0013045 0.5024025 -1.7756136 -0.0079555 -0.0110872 -0.0047235 -1.5770698 31 O -2.1466028 -0.4963595 -0.0013045 -0.5024025 -1.7756136 0.0079555 -0.0110872 0.0047235 -1.5770698 32 O -2.1466028 -0.4963595 0.0013045 -0.5024025 -1.7756136 -0.0079555 0.0110872 -0.0047235 -1.5770698 33 O -1.2191307 -0.0964955 -0.0676155 -0.0948949 -1.6167168 -0.0198492 -0.0626490 -0.0152301 -2.3952505 34 O -1.2191307 -0.0964955 0.0676155 -0.0948949 -1.6167168 0.0198492 0.0626490 0.0152301 -2.3952505 35 O -1.2191307 0.0964955 0.0676155 0.0948949 -1.6167168 -0.0198492 0.0626490 -0.0152301 -2.3952505 36 O -1.2191307 0.0964955 -0.0676155 0.0948949 -1.6167168 0.0198492 -0.0626490 0.0152301 -2.3952505 37 O -1.2191307 -0.0964955 -0.0676155 -0.0948949 -1.6167168 -0.0198492 -0.0626490 -0.0152301 -2.3952505 38 O -1.2191307 -0.0964955 0.0676155 -0.0948949 -1.6167168 0.0198492 0.0626490 0.0152301 -2.3952505 39 O -1.2191307 0.0964955 0.0676155 0.0948949 -1.6167168 -0.0198492 0.0626490 -0.0152301 -2.3952505 40 O -1.2191307 0.0964955 -0.0676155 0.0948949 -1.6167168 0.0198492 -0.0626490 0.0152301 -2.3952505 41 O -1.9680560 0.7467127 0.2797483 0.6402387 -1.1314850 -0.2316089 0.3303287 -0.2882692 -1.8427356 42 O -1.9680560 0.7467127 -0.2797483 0.6402387 -1.1314850 0.2316089 -0.3303287 0.2882692 -1.8427356 43 O -1.9680560 -0.7467127 -0.2797483 -0.6402387 -1.1314850 -0.2316089 -0.3303287 -0.2882692 -1.8427356 44 O -1.9680560 -0.7467127 0.2797483 -0.6402387 -1.1314850 0.2316089 0.3303287 0.2882692 -1.8427356 45 O -1.9680560 0.7467127 0.2797483 0.6402387 -1.1314850 -0.2316089 0.3303287 -0.2882692 -1.8427356 46 O -1.9680560 0.7467127 -0.2797483 0.6402387 -1.1314850 0.2316089 -0.3303287 0.2882692 -1.8427356 47 O -1.9680560 -0.7467127 -0.2797483 -0.6402387 -1.1314850 -0.2316089 -0.3303287 -0.2882692 -1.8427356 48 O -1.9680560 -0.7467127 0.2797483 -0.6402387 -1.1314850 0.2316089 0.3303287 0.2882692 -1.8427356 49 Ca 2.4410757 -0.0316067 0.0168225 -0.0418314 2.3950607 -0.0113851 0.0064592 0.0031354 2.4560804 50 Ca 2.4410757 -0.0316067 -0.0168225 -0.0418314 2.3950607 0.0113851 -0.0064592 -0.0031354 2.4560804 51 Ca 2.4410757 0.0316067 -0.0168225 0.0418314 2.3950607 -0.0113851 -0.0064592 0.0031354 2.4560804 52 Ca 2.4410757 0.0316067 0.0168225 0.0418314 2.3950607 0.0113851 0.0064592 -0.0031354 2.4560804 53 Ca 2.4410757 -0.0316067 0.0168225 -0.0418314 2.3950607 -0.0113851 0.0064592 0.0031354 2.4560804 54 Ca 2.4410757 -0.0316067 -0.0168225 -0.0418314 2.3950607 0.0113851 -0.0064592 -0.0031354 2.4560804 55 Ca 2.4410757 0.0316067 -0.0168225 0.0418314 2.3950607 -0.0113851 -0.0064592 0.0031354 2.4560804 56 Ca 2.4410757 0.0316067 0.0168225 0.0418314 2.3950607 0.0113851 0.0064592 -0.0031354 2.4560804 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:41:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:41:58]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pccn (56) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.334403630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.804880109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.005908789999999 Atomic positions (fractional): 1 B 0.74543618479095 0.45097411851296 0.37185276733512 10.811 2 B 0.75456381520905 0.04902588148704 0.37185276733512 10.811 3 B 0.24543618479095 0.54902588148704 0.12814723266488 10.811 4 B 0.25456381520904 0.95097411851296 0.12814723266488 10.811 5 B 0.25456381520904 0.54902588148704 0.62814723266488 10.811 6 B 0.24543618479095 0.95097411851296 0.62814723266488 10.811 7 B 0.75456381520905 0.45097411851296 0.87185276733512 10.811 8 B 0.74543618479095 0.04902588148704 0.87185276733512 10.811 9 B 0.53544585808872 0.13697767317715 0.12632271165240 10.811 10 B 0.96455414191128 0.36302232682285 0.12632271165240 10.811 11 B 0.03544585808871 0.86302232682285 0.37367728834760 10.811 12 B 0.46455414191129 0.63697767317715 0.37367728834760 10.811 13 B 0.46455414191129 0.86302232682285 0.87367728834759 10.811 14 B 0.03544585808871 0.63697767317715 0.87367728834759 10.811 15 B 0.96455414191128 0.13697767317715 0.62632271165241 10.811 16 B 0.53544585808872 0.36302232682285 0.62632271165241 10.811 17 O 0.88954631404482 0.11261925815947 0.86085078255100 15.999 18 O 0.61045368595518 0.38738074184053 0.86085078255100 15.999 19 O 0.38954631404482 0.88738074184053 0.63914921744900 15.999 20 O 0.11045368595518 0.61261925815947 0.63914921744900 15.999 21 O 0.11045368595518 0.88738074184053 0.13914921744900 15.999 22 O 0.38954631404482 0.61261925815947 0.13914921744900 15.999 23 O 0.61045368595518 0.11261925815947 0.36085078255100 15.999 24 O 0.88954631404482 0.38738074184053 0.36085078255100 15.999 25 O 0.39324891804283 0.18667509996938 0.13046784779525 15.999 26 O 0.10675108195717 0.31332490003062 0.13046784779525 15.999 27 O 0.89324891804283 0.81332490003062 0.36953215220475 15.999 28 O 0.60675108195717 0.68667509996938 0.36953215220475 15.999 29 O 0.60675108195717 0.81332490003062 0.86953215220475 15.999 30 O 0.89324891804283 0.68667509996938 0.86953215220475 15.999 31 O 0.10675108195717 0.18667509996938 0.63046784779525 15.999 32 O 0.39324891804283 0.31332490003062 0.63046784779525 15.999 33 O 0.74197563771115 0.98942355776883 0.62203915714972 15.999 34 O 0.75802436228885 0.51057644223117 0.62203915714972 15.999 35 O 0.24197563771115 0.01057644223117 0.87796084285028 15.999 36 O 0.25802436228885 0.48942355776884 0.87796084285028 15.999 37 O 0.25802436228885 0.01057644223117 0.37796084285028 15.999 38 O 0.24197563771115 0.48942355776884 0.37796084285028 15.999 39 O 0.75802436228885 0.98942355776883 0.12203915714972 15.999 40 O 0.74197563771115 0.51057644223117 0.12203915714972 15.999 41 O 0.59967349456982 0.10863339910871 0.88632602405995 15.999 42 O 0.90032650543018 0.39136660089129 0.88632602405995 15.999 43 O 0.09967349456982 0.89136660089129 0.61367397594005 15.999 44 O 0.40032650543018 0.60863339910871 0.61367397594005 15.999 45 O 0.40032650543018 0.89136660089129 0.11367397594005 15.999 46 O 0.09967349456982 0.60863339910871 0.11367397594005 15.999 47 O 0.90032650543018 0.10863339910871 0.38632602405995 15.999 48 O 0.59967349456982 0.39136660089129 0.38632602405995 15.999 49 Ca 0.38414275110963 0.35590539072279 0.12157145333370 40.078 50 Ca 0.11585724889037 0.14409460927721 0.12157145333370 40.078 51 Ca 0.88414275110963 0.64409460927721 0.37842854666630 40.078 52 Ca 0.61585724889037 0.85590539072279 0.37842854666630 40.078 53 Ca 0.61585724889037 0.64409460927721 0.87842854666630 40.078 54 Ca 0.88414275110963 0.85590539072279 0.87842854666630 40.078 55 Ca 0.11585724889037 0.35590539072279 0.62157145333370 40.078 56 Ca 0.38414275110963 0.14409460927721 0.62157145333370 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.334403630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.804880109999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.011817579999999 Atomic positions (fractional): 1 B 0.74543618479095 0.45097411851296 0.18592638366756 10.811 > 1 2 B 0.74543618479095 0.45097411851296 0.68592638366756 10.811 > 1 3 B 0.75456381520905 0.04902588148704 0.18592638366756 10.811 > 3 4 B 0.75456381520905 0.04902588148704 0.68592638366756 10.811 > 3 5 B 0.24543618479095 0.54902588148704 0.06407361633244 10.811 > 5 6 B 0.24543618479095 0.54902588148704 0.56407361633244 10.811 > 5 7 B 0.25456381520904 0.95097411851296 0.06407361633244 10.811 > 7 8 B 0.25456381520904 0.95097411851296 0.56407361633244 10.811 > 7 9 B 0.25456381520904 0.54902588148704 0.31407361633244 10.811 > 9 10 B 0.25456381520904 0.54902588148704 0.81407361633244 10.811 > 9 11 B 0.24543618479095 0.95097411851296 0.31407361633244 10.811 > 11 12 B 0.24543618479095 0.95097411851296 0.81407361633244 10.811 > 11 13 B 0.75456381520905 0.45097411851296 0.43592638366756 10.811 > 13 14 B 0.75456381520905 0.45097411851296 0.93592638366756 10.811 > 13 15 B 0.74543618479095 0.04902588148704 0.43592638366756 10.811 > 15 16 B 0.74543618479095 0.04902588148704 0.93592638366756 10.811 > 15 17 B 0.53544585808872 0.13697767317715 0.06316135582620 10.811 > 17 18 B 0.53544585808872 0.13697767317715 0.56316135582620 10.811 > 17 19 B 0.96455414191128 0.36302232682285 0.06316135582620 10.811 > 19 20 B 0.96455414191128 0.36302232682285 0.56316135582620 10.811 > 19 21 B 0.03544585808871 0.86302232682285 0.18683864417380 10.811 > 21 22 B 0.03544585808871 0.86302232682285 0.68683864417380 10.811 > 21 23 B 0.46455414191129 0.63697767317715 0.18683864417380 10.811 > 23 24 B 0.46455414191129 0.63697767317715 0.68683864417380 10.811 > 23 25 B 0.46455414191129 0.86302232682285 0.43683864417380 10.811 > 25 26 B 0.46455414191129 0.86302232682285 0.93683864417380 10.811 > 25 27 B 0.03544585808871 0.63697767317715 0.43683864417380 10.811 > 27 28 B 0.03544585808871 0.63697767317715 0.93683864417380 10.811 > 27 29 B 0.96455414191128 0.13697767317715 0.31316135582620 10.811 > 29 30 B 0.96455414191128 0.13697767317715 0.81316135582620 10.811 > 29 31 B 0.53544585808872 0.36302232682285 0.31316135582620 10.811 > 31 32 B 0.53544585808872 0.36302232682285 0.81316135582620 10.811 > 31 33 O 0.88954631404482 0.11261925815947 0.43042539127550 15.999 > 33 34 O 0.88954631404482 0.11261925815947 0.93042539127550 15.999 > 33 35 O 0.61045368595518 0.38738074184053 0.43042539127550 15.999 > 35 36 O 0.61045368595518 0.38738074184053 0.93042539127550 15.999 > 35 37 O 0.38954631404482 0.88738074184053 0.31957460872450 15.999 > 37 38 O 0.38954631404482 0.88738074184053 0.81957460872450 15.999 > 37 39 O 0.11045368595518 0.61261925815947 0.31957460872450 15.999 > 39 40 O 0.11045368595518 0.61261925815947 0.81957460872450 15.999 > 39 41 O 0.11045368595518 0.88738074184053 0.06957460872450 15.999 > 41 42 O 0.11045368595518 0.88738074184053 0.56957460872450 15.999 > 41 43 O 0.38954631404482 0.61261925815947 0.06957460872450 15.999 > 43 44 O 0.38954631404482 0.61261925815947 0.56957460872450 15.999 > 43 45 O 0.61045368595518 0.11261925815947 0.18042539127550 15.999 > 45 46 O 0.61045368595518 0.11261925815947 0.68042539127550 15.999 > 45 47 O 0.88954631404482 0.38738074184053 0.18042539127550 15.999 > 47 48 O 0.88954631404482 0.38738074184053 0.68042539127550 15.999 > 47 49 O 0.39324891804283 0.18667509996938 0.06523392389763 15.999 > 49 50 O 0.39324891804283 0.18667509996938 0.56523392389763 15.999 > 49 51 O 0.10675108195717 0.31332490003062 0.06523392389763 15.999 > 51 52 O 0.10675108195717 0.31332490003062 0.56523392389763 15.999 > 51 53 O 0.89324891804283 0.81332490003062 0.18476607610237 15.999 > 53 54 O 0.89324891804283 0.81332490003062 0.68476607610237 15.999 > 53 55 O 0.60675108195717 0.68667509996938 0.18476607610237 15.999 > 55 56 O 0.60675108195717 0.68667509996938 0.68476607610237 15.999 > 55 57 O 0.60675108195717 0.81332490003062 0.43476607610237 15.999 > 57 58 O 0.60675108195717 0.81332490003062 0.93476607610237 15.999 > 57 59 O 0.89324891804283 0.68667509996938 0.43476607610237 15.999 > 59 60 O 0.89324891804283 0.68667509996938 0.93476607610237 15.999 > 59 61 O 0.10675108195717 0.18667509996938 0.31523392389763 15.999 > 61 62 O 0.10675108195717 0.18667509996938 0.81523392389763 15.999 > 61 63 O 0.39324891804283 0.31332490003062 0.31523392389763 15.999 > 63 64 O 0.39324891804283 0.31332490003062 0.81523392389763 15.999 > 63 65 O 0.74197563771115 0.98942355776883 0.31101957857486 15.999 > 65 66 O 0.74197563771115 0.98942355776883 0.81101957857486 15.999 > 65 67 O 0.75802436228885 0.51057644223117 0.31101957857486 15.999 > 67 68 O 0.75802436228885 0.51057644223117 0.81101957857486 15.999 > 67 69 O 0.24197563771115 0.01057644223117 0.43898042142514 15.999 > 69 70 O 0.24197563771115 0.01057644223117 0.93898042142514 15.999 > 69 71 O 0.25802436228885 0.48942355776884 0.43898042142514 15.999 > 71 72 O 0.25802436228885 0.48942355776884 0.93898042142514 15.999 > 71 73 O 0.25802436228885 0.01057644223117 0.18898042142514 15.999 > 73 74 O 0.25802436228885 0.01057644223117 0.68898042142514 15.999 > 73 75 O 0.24197563771115 0.48942355776884 0.18898042142514 15.999 > 75 76 O 0.24197563771115 0.48942355776884 0.68898042142514 15.999 > 75 77 O 0.75802436228885 0.98942355776883 0.06101957857486 15.999 > 77 78 O 0.75802436228885 0.98942355776883 0.56101957857486 15.999 > 77 79 O 0.74197563771115 0.51057644223117 0.06101957857486 15.999 > 79 80 O 0.74197563771115 0.51057644223117 0.56101957857486 15.999 > 79 81 O 0.59967349456982 0.10863339910871 0.44316301202998 15.999 > 81 82 O 0.59967349456982 0.10863339910871 0.94316301202998 15.999 > 81 83 O 0.90032650543018 0.39136660089129 0.44316301202998 15.999 > 83 84 O 0.90032650543018 0.39136660089129 0.94316301202998 15.999 > 83 85 O 0.09967349456982 0.89136660089129 0.30683698797002 15.999 > 85 86 O 0.09967349456982 0.89136660089129 0.80683698797002 15.999 > 85 87 O 0.40032650543018 0.60863339910871 0.30683698797002 15.999 > 87 88 O 0.40032650543018 0.60863339910871 0.80683698797002 15.999 > 87 89 O 0.40032650543018 0.89136660089129 0.05683698797002 15.999 > 89 90 O 0.40032650543018 0.89136660089129 0.55683698797002 15.999 > 89 91 O 0.09967349456982 0.60863339910871 0.05683698797002 15.999 > 91 92 O 0.09967349456982 0.60863339910871 0.55683698797002 15.999 > 91 93 O 0.90032650543018 0.10863339910871 0.19316301202998 15.999 > 93 94 O 0.90032650543018 0.10863339910871 0.69316301202998 15.999 > 93 95 O 0.59967349456982 0.39136660089129 0.19316301202998 15.999 > 95 96 O 0.59967349456982 0.39136660089129 0.69316301202998 15.999 > 95 97 Ca 0.38414275110963 0.35590539072279 0.06078572666685 40.078 > 97 98 Ca 0.38414275110963 0.35590539072279 0.56078572666685 40.078 > 97 99 Ca 0.11585724889037 0.14409460927721 0.06078572666685 40.078 > 99 100 Ca 0.11585724889037 0.14409460927721 0.56078572666685 40.078 > 99 101 Ca 0.88414275110963 0.64409460927721 0.18921427333315 40.078 > 101 102 Ca 0.88414275110963 0.64409460927721 0.68921427333315 40.078 > 101 103 Ca 0.61585724889037 0.85590539072279 0.18921427333315 40.078 > 103 104 Ca 0.61585724889037 0.85590539072279 0.68921427333315 40.078 > 103 105 Ca 0.61585724889037 0.64409460927721 0.43921427333315 40.078 > 105 106 Ca 0.61585724889037 0.64409460927721 0.93921427333315 40.078 > 105 107 Ca 0.88414275110963 0.85590539072279 0.43921427333315 40.078 > 107 108 Ca 0.88414275110963 0.85590539072279 0.93921427333315 40.078 > 107 109 Ca 0.11585724889037 0.35590539072279 0.31078572666685 40.078 > 109 110 Ca 0.11585724889037 0.35590539072279 0.81078572666685 40.078 > 109 111 Ca 0.38414275110963 0.14409460927721 0.31078572666685 40.078 > 111 112 Ca 0.38414275110963 0.14409460927721 0.81078572666685 40.078 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9891152 0.0000000 0.0000000 0.0000000 2.7473028 0.0000000 0.0000000 0.0000000 3.0627580 -------------------------- Born effective charges -------------------------- 1 B 2.6441311 -0.0292253 -0.1569897 0.0263621 1.9910785 -0.0058431 -0.4297237 -0.0031951 2.6729961 2 B 2.6441311 -0.0292253 0.1569897 0.0263621 1.9910785 0.0058431 0.4297237 0.0031951 2.6729961 3 B 2.6441311 0.0292253 0.1569897 -0.0263621 1.9910785 -0.0058431 0.4297237 -0.0031951 2.6729961 4 B 2.6441311 0.0292253 -0.1569897 -0.0263621 1.9910785 0.0058431 -0.4297237 0.0031951 2.6729961 5 B 2.6441311 -0.0292253 -0.1569897 0.0263621 1.9910785 -0.0058431 -0.4297237 -0.0031951 2.6729961 6 B 2.6441311 -0.0292253 0.1569897 0.0263621 1.9910785 0.0058431 0.4297237 0.0031951 2.6729961 7 B 2.6441311 0.0292253 0.1569897 -0.0263621 1.9910785 -0.0058431 0.4297237 -0.0031951 2.6729961 8 B 2.6441311 0.0292253 -0.1569897 -0.0263621 1.9910785 0.0058431 -0.4297237 0.0031951 2.6729961 9 B 2.2426088 -0.9614749 0.0304648 -1.0037363 1.2896861 0.0317242 0.0227579 0.0652045 2.4846661 10 B 2.2426088 -0.9614749 -0.0304648 -1.0037363 1.2896861 -0.0317242 -0.0227579 -0.0652045 2.4846661 11 B 2.2426088 0.9614749 -0.0304648 1.0037363 1.2896861 0.0317242 -0.0227579 0.0652045 2.4846661 12 B 2.2426088 0.9614749 0.0304648 1.0037363 1.2896861 -0.0317242 0.0227579 -0.0652045 2.4846661 13 B 2.2426088 -0.9614749 0.0304648 -1.0037363 1.2896861 0.0317242 0.0227579 0.0652045 2.4846661 14 B 2.2426088 -0.9614749 -0.0304648 -1.0037363 1.2896861 -0.0317242 -0.0227579 -0.0652045 2.4846661 15 B 2.2426088 0.9614749 -0.0304648 1.0037363 1.2896861 0.0317242 -0.0227579 0.0652045 2.4846661 16 B 2.2426088 0.9614749 0.0304648 1.0037363 1.2896861 -0.0317242 0.0227579 -0.0652045 2.4846661 17 O -1.9940262 -0.7601140 0.3313773 -0.6454701 -1.1520099 0.2091832 0.3754595 0.2505417 -1.7986866 18 O -1.9940262 -0.7601140 -0.3313773 -0.6454701 -1.1520099 -0.2091832 -0.3754595 -0.2505417 -1.7986866 19 O -1.9940262 0.7601140 -0.3313773 0.6454701 -1.1520099 0.2091832 -0.3754595 0.2505417 -1.7986866 20 O -1.9940262 0.7601140 0.3313773 0.6454701 -1.1520099 -0.2091832 0.3754595 -0.2505417 -1.7986866 21 O -1.9940262 -0.7601140 0.3313773 -0.6454701 -1.1520099 0.2091832 0.3754595 0.2505417 -1.7986866 22 O -1.9940262 -0.7601140 -0.3313773 -0.6454701 -1.1520099 -0.2091832 -0.3754595 -0.2505417 -1.7986866 23 O -1.9940262 0.7601140 -0.3313773 0.6454701 -1.1520099 0.2091832 -0.3754595 0.2505417 -1.7986866 24 O -1.9940262 0.7601140 0.3313773 0.6454701 -1.1520099 -0.2091832 0.3754595 -0.2505417 -1.7986866 25 O -2.1466028 0.4963595 0.0013045 0.5024025 -1.7756136 0.0079555 0.0110872 0.0047235 -1.5770698 26 O -2.1466028 0.4963595 -0.0013045 0.5024025 -1.7756136 -0.0079555 -0.0110872 -0.0047235 -1.5770698 27 O -2.1466028 -0.4963595 -0.0013045 -0.5024025 -1.7756136 0.0079555 -0.0110872 0.0047235 -1.5770698 28 O -2.1466028 -0.4963595 0.0013045 -0.5024025 -1.7756136 -0.0079555 0.0110872 -0.0047235 -1.5770698 29 O -2.1466028 0.4963595 0.0013045 0.5024025 -1.7756136 0.0079555 0.0110872 0.0047235 -1.5770698 30 O -2.1466028 0.4963595 -0.0013045 0.5024025 -1.7756136 -0.0079555 -0.0110872 -0.0047235 -1.5770698 31 O -2.1466028 -0.4963595 -0.0013045 -0.5024025 -1.7756136 0.0079555 -0.0110872 0.0047235 -1.5770698 32 O -2.1466028 -0.4963595 0.0013045 -0.5024025 -1.7756136 -0.0079555 0.0110872 -0.0047235 -1.5770698 33 O -1.2191307 -0.0964955 -0.0676155 -0.0948949 -1.6167168 -0.0198492 -0.0626490 -0.0152301 -2.3952505 34 O -1.2191307 -0.0964955 0.0676155 -0.0948949 -1.6167168 0.0198492 0.0626490 0.0152301 -2.3952505 35 O -1.2191307 0.0964955 0.0676155 0.0948949 -1.6167168 -0.0198492 0.0626490 -0.0152301 -2.3952505 36 O -1.2191307 0.0964955 -0.0676155 0.0948949 -1.6167168 0.0198492 -0.0626490 0.0152301 -2.3952505 37 O -1.2191307 -0.0964955 -0.0676155 -0.0948949 -1.6167168 -0.0198492 -0.0626490 -0.0152301 -2.3952505 38 O -1.2191307 -0.0964955 0.0676155 -0.0948949 -1.6167168 0.0198492 0.0626490 0.0152301 -2.3952505 39 O -1.2191307 0.0964955 0.0676155 0.0948949 -1.6167168 -0.0198492 0.0626490 -0.0152301 -2.3952505 40 O -1.2191307 0.0964955 -0.0676155 0.0948949 -1.6167168 0.0198492 -0.0626490 0.0152301 -2.3952505 41 O -1.9680560 0.7467127 0.2797483 0.6402387 -1.1314850 -0.2316089 0.3303287 -0.2882692 -1.8427356 42 O -1.9680560 0.7467127 -0.2797483 0.6402387 -1.1314850 0.2316089 -0.3303287 0.2882692 -1.8427356 43 O -1.9680560 -0.7467127 -0.2797483 -0.6402387 -1.1314850 -0.2316089 -0.3303287 -0.2882692 -1.8427356 44 O -1.9680560 -0.7467127 0.2797483 -0.6402387 -1.1314850 0.2316089 0.3303287 0.2882692 -1.8427356 45 O -1.9680560 0.7467127 0.2797483 0.6402387 -1.1314850 -0.2316089 0.3303287 -0.2882692 -1.8427356 46 O -1.9680560 0.7467127 -0.2797483 0.6402387 -1.1314850 0.2316089 -0.3303287 0.2882692 -1.8427356 47 O -1.9680560 -0.7467127 -0.2797483 -0.6402387 -1.1314850 -0.2316089 -0.3303287 -0.2882692 -1.8427356 48 O -1.9680560 -0.7467127 0.2797483 -0.6402387 -1.1314850 0.2316089 0.3303287 0.2882692 -1.8427356 49 Ca 2.4410757 -0.0316067 0.0168225 -0.0418314 2.3950607 -0.0113851 0.0064592 0.0031354 2.4560804 50 Ca 2.4410757 -0.0316067 -0.0168225 -0.0418314 2.3950607 0.0113851 -0.0064592 -0.0031354 2.4560804 51 Ca 2.4410757 0.0316067 -0.0168225 0.0418314 2.3950607 -0.0113851 -0.0064592 0.0031354 2.4560804 52 Ca 2.4410757 0.0316067 0.0168225 0.0418314 2.3950607 0.0113851 0.0064592 -0.0031354 2.4560804 53 Ca 2.4410757 -0.0316067 0.0168225 -0.0418314 2.3950607 -0.0113851 0.0064592 0.0031354 2.4560804 54 Ca 2.4410757 -0.0316067 -0.0168225 -0.0418314 2.3950607 0.0113851 -0.0064592 -0.0031354 2.4560804 55 Ca 2.4410757 0.0316067 -0.0168225 0.0418314 2.3950607 -0.0113851 -0.0064592 0.0031354 2.4560804 56 Ca 2.4410757 0.0316067 0.0168225 0.0418314 2.3950607 0.0113851 0.0064592 -0.0031354 2.4560804 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 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 2.114 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.223 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.920 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.548 ( 0.000 0.000 0.000) 0.000 6.566 ( 0.000 0.000 0.000) 0.000 6.644 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.893 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.148 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.332 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 0.000 0.000) 0.000 8.433 ( 0.000 0.000 0.000) 0.000 8.790 ( 0.000 0.000 0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 8.817 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 9.253 ( 0.000 0.000 0.000) 0.000 9.288 ( 0.000 0.000 0.000) 0.000 9.412 ( 0.000 0.000 0.000) 0.000 9.536 ( 0.000 0.000 0.000) 0.000 9.767 ( 0.000 0.000 0.000) 0.000 9.861 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 10.234 ( 0.000 0.000 0.000) 0.000 11.912 ( 0.000 0.000 0.000) 0.000 11.980 ( 0.000 0.000 0.000) 0.000 12.063 ( 0.000 0.000 0.000) 0.000 12.091 ( 0.000 0.000 0.000) 0.000 12.573 ( 0.000 0.000 0.000) 0.000 12.576 ( 0.000 0.000 0.000) 0.000 12.868 ( 0.000 0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 13.081 ( 0.000 0.000 0.000) 0.000 13.148 ( 0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 0.000) 0.000 13.321 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.526 ( 0.000 0.000 0.000) 0.000 14.765 ( 0.000 0.000 0.000) 0.000 14.808 ( 0.000 0.000 0.000) 0.000 15.110 ( 0.000 0.000 0.000) 0.000 15.167 ( 0.000 0.000 0.000) 0.000 15.264 ( 0.000 0.000 0.000) 0.000 15.339 ( 0.000 0.000 0.000) 0.000 16.128 ( 0.000 0.000 0.000) 0.000 16.136 ( 0.000 0.000 0.000) 0.000 16.184 ( 0.000 0.000 0.000) 0.000 16.212 ( 0.000 0.000 0.000) 0.000 16.600 ( 0.000 0.000 0.000) 0.000 16.611 ( 0.000 0.000 0.000) 0.000 16.766 ( 0.000 0.000 0.000) 0.000 16.908 ( 0.000 0.000 0.000) 0.000 17.412 ( 0.000 0.000 0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 17.559 ( 0.000 0.000 0.000) 0.000 17.591 ( 0.000 0.000 0.000) 0.000 18.518 ( 0.000 0.000 0.000) 0.000 18.586 ( 0.000 0.000 0.000) 0.000 18.596 ( 0.000 0.000 0.000) 0.000 18.634 ( 0.000 0.000 0.000) 0.000 19.798 ( 0.000 0.000 0.000) 0.000 19.862 ( 0.000 0.000 0.000) 0.000 19.960 ( 0.000 0.000 0.000) 0.000 19.995 ( 0.000 0.000 0.000) 0.000 20.057 ( 0.000 0.000 0.000) 0.000 20.423 ( 0.000 0.000 0.000) 0.000 20.430 ( 0.000 0.000 0.000) 0.000 20.636 ( 0.000 0.000 0.000) 0.000 21.580 ( 0.000 0.000 0.000) 0.000 21.623 ( 0.000 0.000 0.000) 0.000 21.645 ( 0.000 0.000 0.000) 0.000 21.666 ( 0.000 0.000 0.000) 0.000 22.925 ( 0.000 0.000 0.000) 0.000 22.933 ( 0.000 0.000 0.000) 0.000 22.961 ( 0.000 0.000 0.000) 0.000 22.962 ( 0.000 0.000 0.000) 0.000 24.159 ( 0.000 0.000 0.000) 0.000 24.160 ( 0.000 0.000 0.000) 0.000 24.161 ( 0.000 0.000 0.000) 0.000 24.163 ( 0.000 0.000 0.000) 0.000 24.388 ( 0.000 0.000 0.000) 0.000 24.408 ( 0.000 0.000 0.000) 0.000 24.431 ( 0.000 0.000 0.000) 0.000 24.462 ( 0.000 0.000 0.000) 0.000 25.207 ( 0.000 0.000 0.000) 0.000 25.344 ( 0.000 0.000 0.000) 0.000 25.484 ( 0.000 0.000 0.000) 0.000 25.521 ( 0.000 0.000 0.000) 0.000 26.439 ( 0.000 0.000 0.000) 0.000 26.504 ( 0.000 0.000 0.000) 0.000 26.650 ( 0.000 0.000 0.000) 0.000 26.652 ( 0.000 0.000 0.000) 0.000 27.734 ( 0.000 0.000 0.000) 0.000 27.802 ( 0.000 0.000 0.000) 0.000 27.852 ( 0.000 0.000 0.000) 0.000 27.863 ( 0.000 0.000 0.000) 0.000 28.652 ( 0.000 0.000 0.000) 0.000 28.682 ( 0.000 0.000 0.000) 0.000 28.709 ( 0.000 0.000 0.000) 0.000 29.285 ( 0.000 0.000 0.000) 0.000 30.427 ( 0.000 0.000 0.000) 0.000 30.600 ( 0.000 0.000 0.000) 0.000 30.691 ( 0.000 0.000 0.000) 0.000 30.866 ( 0.000 0.000 0.000) 0.000 32.340 ( 0.000 0.000 0.000) 0.000 32.513 ( 0.000 0.000 0.000) 0.000 32.575 ( 0.000 0.000 0.000) 0.000 32.675 ( 0.000 0.000 0.000) 0.000 32.746 ( 0.000 0.000 0.000) 0.000 33.176 ( 0.000 0.000 0.000) 0.000 33.638 ( 0.000 0.000 0.000) 0.000 34.913 ( 0.000 0.000 0.000) 0.000 39.419 ( 0.000 0.000 0.000) 0.000 39.419 ( 0.000 0.000 0.000) 0.000 39.545 ( 0.000 0.000 0.000) 0.000 39.546 ( 0.000 0.000 0.000) 0.000 39.925 ( 0.000 0.000 0.000) 0.000 39.957 ( 0.000 0.000 0.000) 0.000 40.094 ( 0.000 0.000 0.000) 0.000 40.133 ( 0.000 0.000 0.000) 0.000 40.705 ( 0.000 0.000 0.000) 0.000 40.716 ( 0.000 0.000 0.000) 0.000 40.908 ( 0.000 0.000 0.000) 0.000 40.919 ( 0.000 0.000 0.000) 0.000 40.931 ( 0.000 0.000 0.000) 0.000 41.421 ( 0.000 0.000 0.000) 0.000 41.933 ( 0.000 0.000 0.000) 0.000 42.870 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 35.538 0.000 0.000) 35.538 1.056 ( 52.124 0.000 0.000) 52.124 1.603 ( 76.677 0.000 0.000) 76.677 2.335 ( 21.011 0.000 0.000) 21.011 2.432 ( 20.219 0.000 0.000) 20.219 2.652 ( 15.237 0.000 0.000) 15.237 2.652 ( 20.654 0.000 0.000) 20.654 2.938 ( 15.667 0.000 0.000) 15.667 3.175 ( 8.992 0.000 0.000) 8.992 3.430 ( 5.468 0.000 0.000) 5.468 3.453 ( 3.524 0.000 0.000) 3.524 3.653 ( -3.912 0.000 0.000) 3.912 3.747 ( 0.230 0.000 0.000) 0.230 3.817 ( -24.026 0.000 0.000) 24.026 3.857 ( 5.361 0.000 0.000) 5.361 4.178 ( 6.601 0.000 0.000) 6.601 4.193 ( 3.005 0.000 0.000) 3.005 4.262 ( -2.260 0.000 0.000) 2.260 4.323 ( 15.127 0.000 0.000) 15.127 4.530 ( -9.223 0.000 0.000) 9.223 5.080 ( 7.048 0.000 0.000) 7.048 5.287 ( -32.956 0.000 0.000) 32.956 5.406 ( -2.793 0.000 0.000) 2.793 5.496 ( 17.570 0.000 0.000) 17.570 5.504 ( -26.214 0.000 0.000) 26.214 5.824 ( -6.441 0.000 0.000) 6.441 5.833 ( 0.211 0.000 0.000) 0.211 5.941 ( -35.094 0.000 0.000) 35.094 6.141 ( -28.477 0.000 0.000) 28.477 6.305 ( 4.828 0.000 0.000) 4.828 6.619 ( 4.914 0.000 0.000) 4.914 6.651 ( -2.305 0.000 0.000) 2.305 6.897 ( 9.114 0.000 0.000) 9.114 6.898 ( 10.040 0.000 0.000) 10.040 7.060 ( 16.344 0.000 0.000) 16.344 7.124 ( -4.324 0.000 0.000) 4.324 7.151 ( 13.122 0.000 0.000) 13.122 7.429 ( -31.976 0.000 0.000) 31.976 7.484 ( -0.036 0.000 0.000) 0.036 7.502 ( -0.027 0.000 0.000) 0.027 7.571 ( 0.079 0.000 0.000) 0.079 7.781 ( -10.335 0.000 0.000) 10.335 7.821 ( -11.122 0.000 0.000) 11.122 8.037 ( -12.117 0.000 0.000) 12.117 8.268 ( -2.703 0.000 0.000) 2.703 8.296 ( -0.902 0.000 0.000) 0.902 8.350 ( -2.257 0.000 0.000) 2.257 8.361 ( 2.503 0.000 0.000) 2.503 8.547 ( 10.389 0.000 0.000) 10.389 8.703 ( 15.965 0.000 0.000) 15.965 8.729 ( -5.896 0.000 0.000) 5.896 8.828 ( -10.113 0.000 0.000) 10.113 8.858 ( 2.715 0.000 0.000) 2.715 8.883 ( 6.707 0.000 0.000) 6.707 8.947 ( -3.215 0.000 0.000) 3.215 9.143 ( -9.602 0.000 0.000) 9.602 9.375 ( 9.160 0.000 0.000) 9.160 9.490 ( 4.498 0.000 0.000) 4.498 9.542 ( 11.722 0.000 0.000) 11.722 9.770 ( 15.772 0.000 0.000) 15.772 9.882 ( 11.327 0.000 0.000) 11.327 9.939 ( 7.213 0.000 0.000) 7.213 10.277 ( 3.984 0.000 0.000) 3.984 10.955 ( -11.229 0.000 0.000) 11.229 11.910 ( -0.112 0.000 0.000) 0.112 11.974 ( -0.362 0.000 0.000) 0.362 12.051 ( -1.211 0.000 0.000) 1.211 12.089 ( -0.404 0.000 0.000) 0.404 12.503 ( -6.354 0.000 0.000) 6.354 12.511 ( -6.048 0.000 0.000) 6.048 12.847 ( -1.774 0.000 0.000) 1.774 12.976 ( -8.588 0.000 0.000) 8.588 12.995 ( -8.078 0.000 0.000) 8.078 13.063 ( -6.601 0.000 0.000) 6.601 13.225 ( -2.677 0.000 0.000) 2.677 13.233 ( -8.013 0.000 0.000) 8.013 14.474 ( 0.865 0.000 0.000) 0.865 14.506 ( -1.761 0.000 0.000) 1.761 14.731 ( -6.723 0.000 0.000) 6.723 14.793 ( 1.438 0.000 0.000) 1.438 15.137 ( 2.441 0.000 0.000) 2.441 15.198 ( 2.717 0.000 0.000) 2.717 15.268 ( 0.293 0.000 0.000) 0.293 15.342 ( 0.173 0.000 0.000) 0.173 16.146 ( 0.965 0.000 0.000) 0.965 16.171 ( 1.120 0.000 0.000) 1.120 16.203 ( 1.523 0.000 0.000) 1.523 16.211 ( -0.107 0.000 0.000) 0.107 16.639 ( 3.490 0.000 0.000) 3.490 16.667 ( 4.570 0.000 0.000) 4.570 16.792 ( 2.018 0.000 0.000) 2.018 16.888 ( -1.770 0.000 0.000) 1.770 17.441 ( 3.074 0.000 0.000) 3.074 17.533 ( 3.365 0.000 0.000) 3.365 17.573 ( 1.530 0.000 0.000) 1.530 17.608 ( 1.650 0.000 0.000) 1.650 18.540 ( 1.983 0.000 0.000) 1.983 18.610 ( 0.691 0.000 0.000) 0.691 18.614 ( 1.575 0.000 0.000) 1.575 18.648 ( 1.214 0.000 0.000) 1.214 19.810 ( 1.193 0.000 0.000) 1.193 19.866 ( 0.429 0.000 0.000) 0.429 19.958 ( -0.158 0.000 0.000) 0.158 20.052 ( -0.486 0.000 0.000) 0.486 20.113 ( -2.450 0.000 0.000) 2.450 20.341 ( -7.808 0.000 0.000) 7.808 20.464 ( 3.438 0.000 0.000) 3.438 20.630 ( -0.582 0.000 0.000) 0.582 21.603 ( -1.899 0.000 0.000) 1.899 21.619 ( -2.403 0.000 0.000) 2.403 21.622 ( -0.272 0.000 0.000) 0.272 21.657 ( -0.816 0.000 0.000) 0.816 22.925 ( 0.028 0.000 0.000) 0.028 22.937 ( 0.340 0.000 0.000) 0.340 22.958 ( -0.289 0.000 0.000) 0.289 22.963 ( 0.066 0.000 0.000) 0.066 24.159 ( -0.016 0.000 0.000) 0.016 24.159 ( -0.050 0.000 0.000) 0.050 24.160 ( -0.058 0.000 0.000) 0.058 24.162 ( -0.089 0.000 0.000) 0.089 24.421 ( 1.076 0.000 0.000) 1.076 24.435 ( 0.314 0.000 0.000) 0.314 24.466 ( 0.284 0.000 0.000) 0.284 24.478 ( 0.026 0.000 0.000) 0.026 25.257 ( 4.122 0.000 0.000) 4.122 25.464 ( -1.839 0.000 0.000) 1.839 25.558 ( 3.340 0.000 0.000) 3.340 25.865 ( -1.753 0.000 0.000) 1.753 26.539 ( 3.245 0.000 0.000) 3.245 26.662 ( 1.112 0.000 0.000) 1.112 26.716 ( 6.091 0.000 0.000) 6.091 27.176 ( -1.741 0.000 0.000) 1.741 27.746 ( 1.070 0.000 0.000) 1.070 27.806 ( 0.368 0.000 0.000) 0.368 27.853 ( 0.000 0.000 0.000) 0.000 27.855 ( -0.773 0.000 0.000) 0.773 28.637 ( -1.103 0.000 0.000) 1.103 28.681 ( 0.064 0.000 0.000) 0.064 28.717 ( 0.700 0.000 0.000) 0.700 29.170 ( -10.553 0.000 0.000) 10.553 30.473 ( 4.120 0.000 0.000) 4.120 30.689 ( -0.271 0.000 0.000) 0.271 30.875 ( 0.807 0.000 0.000) 0.807 30.948 ( -0.491 0.000 0.000) 0.491 32.247 ( -2.150 0.000 0.000) 2.150 32.562 ( -1.517 0.000 0.000) 1.517 32.767 ( 8.777 0.000 0.000) 8.777 32.814 ( 21.013 0.000 0.000) 21.013 33.214 ( 3.407 0.000 0.000) 3.407 33.622 ( -1.515 0.000 0.000) 1.515 34.218 ( -2.271 0.000 0.000) 2.271 34.728 ( -16.262 0.000 0.000) 16.262 39.424 ( 0.475 0.000 0.000) 0.475 39.424 ( 0.463 0.000 0.000) 0.463 39.550 ( 0.503 0.000 0.000) 0.503 39.551 ( 0.458 0.000 0.000) 0.458 39.956 ( 2.929 0.000 0.000) 2.929 40.136 ( 0.141 0.000 0.000) 0.141 40.329 ( 21.014 0.000 0.000) 21.014 40.698 ( -0.341 0.000 0.000) 0.341 40.713 ( -0.110 0.000 0.000) 0.110 40.913 ( -0.501 0.000 0.000) 0.501 40.921 ( -0.209 0.000 0.000) 0.209 40.942 ( 2.690 0.000 0.000) 2.690 41.387 ( -3.327 0.000 0.000) 3.327 41.867 ( -6.605 0.000 0.000) 6.605 42.756 ( -1.581 0.000 0.000) 1.581 42.839 ( -2.852 0.000 0.000) 2.852 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 37.114 0.000 0.000) 37.114 2.060 ( 47.174 0.000 0.000) 47.174 2.681 ( -8.604 0.000 0.000) 8.604 2.819 ( 31.437 0.000 0.000) 31.437 2.847 ( 25.490 0.000 0.000) 25.490 3.031 ( 22.797 0.000 0.000) 22.797 3.231 ( 10.714 0.000 0.000) 10.714 3.297 ( 43.960 0.000 0.000) 43.960 3.307 ( 3.016 0.000 0.000) 3.016 3.472 ( -1.008 0.000 0.000) 1.008 3.522 ( 5.317 0.000 0.000) 5.317 3.579 ( 9.543 0.000 0.000) 9.543 3.638 ( 7.041 0.000 0.000) 7.041 3.806 ( 5.372 0.000 0.000) 5.372 3.992 ( 6.010 0.000 0.000) 6.010 4.153 ( -11.896 0.000 0.000) 11.896 4.165 ( -8.187 0.000 0.000) 8.187 4.310 ( 6.588 0.000 0.000) 6.588 4.488 ( 10.510 0.000 0.000) 10.510 4.605 ( -29.810 0.000 0.000) 29.810 4.619 ( 7.988 0.000 0.000) 7.988 4.914 ( -28.890 0.000 0.000) 28.890 5.195 ( -9.851 0.000 0.000) 9.851 5.278 ( -16.049 0.000 0.000) 16.049 5.351 ( -2.338 0.000 0.000) 2.338 5.537 ( -29.984 0.000 0.000) 29.984 5.678 ( -7.478 0.000 0.000) 7.478 5.769 ( -9.586 0.000 0.000) 9.586 5.863 ( 18.902 0.000 0.000) 18.902 6.393 ( 0.693 0.000 0.000) 0.693 6.540 ( -7.753 0.000 0.000) 7.753 6.634 ( -2.469 0.000 0.000) 2.469 6.912 ( -7.711 0.000 0.000) 7.711 6.992 ( -5.791 0.000 0.000) 5.791 7.066 ( 3.741 0.000 0.000) 3.741 7.100 ( 1.399 0.000 0.000) 1.399 7.243 ( 2.620 0.000 0.000) 2.620 7.260 ( -2.662 0.000 0.000) 2.662 7.495 ( 1.135 0.000 0.000) 1.135 7.506 ( 0.225 0.000 0.000) 0.225 7.588 ( 1.373 0.000 0.000) 1.373 7.601 ( -3.686 0.000 0.000) 3.686 7.621 ( -6.473 0.000 0.000) 6.473 7.783 ( -12.002 0.000 0.000) 12.002 8.227 ( -0.506 0.000 0.000) 0.506 8.264 ( -1.484 0.000 0.000) 1.484 8.296 ( -2.735 0.000 0.000) 2.735 8.395 ( -1.268 0.000 0.000) 1.268 8.584 ( -6.330 0.000 0.000) 6.330 8.667 ( -6.014 0.000 0.000) 6.014 8.796 ( 12.861 0.000 0.000) 12.861 8.846 ( 2.831 0.000 0.000) 2.831 8.886 ( -2.532 0.000 0.000) 2.532 8.905 ( 1.379 0.000 0.000) 1.379 8.951 ( -7.543 0.000 0.000) 7.543 9.021 ( 4.423 0.000 0.000) 4.423 9.571 ( 7.364 0.000 0.000) 7.364 9.589 ( 4.528 0.000 0.000) 4.528 9.822 ( 14.463 0.000 0.000) 14.463 10.012 ( 7.870 0.000 0.000) 7.870 10.145 ( 12.440 0.000 0.000) 12.440 10.165 ( 13.700 0.000 0.000) 13.700 10.363 ( 3.381 0.000 0.000) 3.381 10.681 ( -14.715 0.000 0.000) 14.715 11.917 ( 1.131 0.000 0.000) 1.131 11.980 ( 1.269 0.000 0.000) 1.269 12.014 ( -2.449 0.000 0.000) 2.449 12.068 ( -1.794 0.000 0.000) 1.794 12.363 ( -6.351 0.000 0.000) 6.351 12.373 ( -6.533 0.000 0.000) 6.533 12.781 ( -8.763 0.000 0.000) 8.763 12.803 ( -9.445 0.000 0.000) 9.445 12.825 ( -0.045 0.000 0.000) 0.045 12.966 ( -1.769 0.000 0.000) 1.769 13.043 ( -9.879 0.000 0.000) 9.879 13.133 ( -6.260 0.000 0.000) 6.260 14.473 ( -0.991 0.000 0.000) 0.991 14.529 ( 4.895 0.000 0.000) 4.895 14.586 ( -6.740 0.000 0.000) 6.740 14.774 ( -3.806 0.000 0.000) 3.806 15.194 ( 2.909 0.000 0.000) 2.909 15.259 ( 3.024 0.000 0.000) 3.024 15.268 ( -0.479 0.000 0.000) 0.479 15.338 ( -0.735 0.000 0.000) 0.735 16.171 ( 1.309 0.000 0.000) 1.309 16.199 ( 1.497 0.000 0.000) 1.497 16.207 ( -0.362 0.000 0.000) 0.362 16.227 ( 0.589 0.000 0.000) 0.589 16.717 ( 3.640 0.000 0.000) 3.640 16.748 ( 2.797 0.000 0.000) 2.797 16.824 ( 0.892 0.000 0.000) 0.892 16.853 ( -1.443 0.000 0.000) 1.443 17.531 ( 5.304 0.000 0.000) 5.304 17.605 ( 2.859 0.000 0.000) 2.859 17.618 ( 2.688 0.000 0.000) 2.688 17.648 ( 1.850 0.000 0.000) 1.850 18.583 ( 1.993 0.000 0.000) 1.993 18.621 ( 0.191 0.000 0.000) 0.191 18.648 ( 1.655 0.000 0.000) 1.655 18.671 ( 0.755 0.000 0.000) 0.755 19.840 ( 1.656 0.000 0.000) 1.656 19.877 ( 0.447 0.000 0.000) 0.447 19.963 ( 1.210 0.000 0.000) 1.210 20.042 ( -0.383 0.000 0.000) 0.383 20.067 ( -1.893 0.000 0.000) 1.893 20.169 ( -8.436 0.000 0.000) 8.436 20.535 ( 3.274 0.000 0.000) 3.274 20.614 ( -0.977 0.000 0.000) 0.977 21.559 ( -2.061 0.000 0.000) 2.061 21.565 ( -2.474 0.000 0.000) 2.474 21.616 ( -0.142 0.000 0.000) 0.142 21.637 ( -1.077 0.000 0.000) 1.077 22.928 ( 0.342 0.000 0.000) 0.342 22.946 ( 0.573 0.000 0.000) 0.573 22.950 ( -0.546 0.000 0.000) 0.546 22.963 ( -0.127 0.000 0.000) 0.127 24.158 ( -0.039 0.000 0.000) 0.039 24.159 ( -0.001 0.000 0.000) 0.001 24.159 ( -0.068 0.000 0.000) 0.068 24.160 ( -0.095 0.000 0.000) 0.095 24.440 ( 0.632 0.000 0.000) 0.632 24.442 ( 0.341 0.000 0.000) 0.341 24.472 ( 0.297 0.000 0.000) 0.297 24.478 ( -0.022 0.000 0.000) 0.022 25.335 ( 3.210 0.000 0.000) 3.210 25.422 ( -2.077 0.000 0.000) 2.077 25.638 ( 4.351 0.000 0.000) 4.351 25.810 ( -3.634 0.000 0.000) 3.634 26.615 ( 3.842 0.000 0.000) 3.842 26.683 ( 0.608 0.000 0.000) 0.608 26.871 ( 8.650 0.000 0.000) 8.650 27.126 ( -3.402 0.000 0.000) 3.402 27.773 ( 1.525 0.000 0.000) 1.525 27.816 ( 0.569 0.000 0.000) 0.569 27.833 ( -1.331 0.000 0.000) 1.331 27.846 ( -0.665 0.000 0.000) 0.665 28.631 ( 1.245 0.000 0.000) 1.245 28.691 ( 0.972 0.000 0.000) 0.972 28.727 ( 0.037 0.000 0.000) 0.037 28.922 ( -12.638 0.000 0.000) 12.638 30.565 ( 4.477 0.000 0.000) 4.477 30.676 ( -1.127 0.000 0.000) 1.127 30.895 ( 1.093 0.000 0.000) 1.093 30.935 ( -0.813 0.000 0.000) 0.813 32.279 ( 4.642 0.000 0.000) 4.642 32.506 ( -4.217 0.000 0.000) 4.217 32.996 ( 12.994 0.000 0.000) 12.994 33.215 ( 17.189 0.000 0.000) 17.189 33.279 ( 1.811 0.000 0.000) 1.811 33.577 ( -3.255 0.000 0.000) 3.255 34.163 ( -2.629 0.000 0.000) 2.629 34.376 ( -16.229 0.000 0.000) 16.229 39.435 ( 0.479 0.000 0.000) 0.479 39.435 ( 0.479 0.000 0.000) 0.479 39.561 ( 0.494 0.000 0.000) 0.494 39.561 ( 0.494 0.000 0.000) 0.494 40.028 ( 3.851 0.000 0.000) 3.851 40.131 ( -0.871 0.000 0.000) 0.871 40.682 ( 1.909 0.000 0.000) 1.909 40.691 ( -0.335 0.000 0.000) 0.335 40.849 ( 23.608 0.000 0.000) 23.608 40.903 ( -0.427 0.000 0.000) 0.427 40.909 ( -0.666 0.000 0.000) 0.666 41.030 ( 5.724 0.000 0.000) 5.724 41.293 ( -5.967 0.000 0.000) 5.967 41.665 ( -13.751 0.000 0.000) 13.751 42.725 ( -1.102 0.000 0.000) 1.102 42.773 ( -3.269 0.000 0.000) 3.269 ======================= Grid point 3 (4/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -34.884 0.000 0.000) 34.884 2.154 ( 34.884 0.000 0.000) 34.884 2.839 ( -25.246 0.000 0.000) 25.246 2.839 ( 25.246 0.000 0.000) 25.246 3.226 ( -12.515 0.000 0.000) 12.515 3.226 ( 12.515 0.000 0.000) 12.515 3.386 ( -6.308 0.000 0.000) 6.308 3.386 ( 6.308 0.000 0.000) 6.308 3.474 ( -13.226 0.000 0.000) 13.226 3.474 ( 13.226 0.000 0.000) 13.226 3.741 ( -3.205 0.000 0.000) 3.205 3.741 ( 3.205 0.000 0.000) 3.205 3.960 ( -9.459 0.000 0.000) 9.459 3.960 ( 9.459 0.000 0.000) 9.459 4.008 ( -1.558 0.000 0.000) 1.558 4.008 ( 1.558 0.000 0.000) 1.558 4.264 ( -27.930 0.000 0.000) 27.930 4.264 ( 27.930 0.000 0.000) 27.930 4.514 ( -25.458 0.000 0.000) 25.458 4.514 ( 25.458 0.000 0.000) 25.458 4.515 ( -13.534 0.000 0.000) 13.534 4.515 ( 13.534 0.000 0.000) 13.534 5.025 ( -16.970 0.000 0.000) 16.970 5.025 ( 16.970 0.000 0.000) 16.970 5.309 ( -2.328 0.000 0.000) 2.328 5.309 ( 2.328 0.000 0.000) 2.328 5.581 ( -0.984 0.000 0.000) 0.984 5.581 ( 0.984 0.000 0.000) 0.984 6.230 ( -16.046 0.000 0.000) 16.046 6.230 ( 16.046 0.000 0.000) 16.046 6.535 ( -5.920 0.000 0.000) 5.920 6.535 ( 5.920 0.000 0.000) 5.920 6.882 ( -3.110 0.000 0.000) 3.110 6.882 ( 3.110 0.000 0.000) 3.110 7.113 ( -0.807 0.000 0.000) 0.807 7.113 ( 0.807 0.000 0.000) 0.807 7.230 ( -1.645 0.000 0.000) 1.645 7.230 ( 1.645 0.000 0.000) 1.645 7.504 ( -0.181 0.000 0.000) 0.181 7.504 ( 0.181 0.000 0.000) 0.181 7.600 ( -0.591 0.000 0.000) 0.591 7.600 ( 0.591 0.000 0.000) 0.591 7.606 ( -4.734 0.000 0.000) 4.734 7.606 ( 4.734 0.000 0.000) 4.734 8.256 ( -0.907 0.000 0.000) 0.907 8.256 ( 0.907 0.000 0.000) 0.907 8.280 ( -6.135 0.000 0.000) 6.135 8.280 ( 6.135 0.000 0.000) 6.135 8.574 ( -3.290 0.000 0.000) 3.290 8.574 ( 3.290 0.000 0.000) 3.290 8.867 ( -1.187 0.000 0.000) 1.187 8.867 ( 1.187 0.000 0.000) 1.187 8.888 ( -1.461 0.000 0.000) 1.461 8.888 ( 1.461 0.000 0.000) 1.461 9.011 ( -5.866 0.000 0.000) 5.866 9.011 ( 5.866 0.000 0.000) 5.866 9.640 ( -0.024 0.000 0.000) 0.024 9.640 ( 0.024 0.000 0.000) 0.024 10.041 ( -5.591 0.000 0.000) 5.591 10.041 ( 5.591 0.000 0.000) 5.591 10.358 ( -4.876 0.000 0.000) 4.876 10.358 ( 4.876 0.000 0.000) 4.876 10.401 ( -13.144 0.000 0.000) 13.144 10.401 ( 13.144 0.000 0.000) 13.144 11.959 ( -2.814 0.000 0.000) 2.814 11.959 ( 2.814 0.000 0.000) 2.814 12.022 ( -2.541 0.000 0.000) 2.541 12.022 ( 2.541 0.000 0.000) 2.541 12.296 ( -0.328 0.000 0.000) 0.328 12.296 ( 0.328 0.000 0.000) 0.328 12.688 ( -0.740 0.000 0.000) 0.740 12.688 ( 0.740 0.000 0.000) 0.740 12.879 ( -5.703 0.000 0.000) 5.703 12.879 ( 5.703 0.000 0.000) 5.703 13.006 ( -5.246 0.000 0.000) 5.246 13.006 ( 5.246 0.000 0.000) 5.246 14.488 ( -2.808 0.000 0.000) 2.808 14.488 ( 2.808 0.000 0.000) 2.808 14.656 ( -7.068 0.000 0.000) 7.068 14.656 ( 7.068 0.000 0.000) 7.068 15.244 ( -1.938 0.000 0.000) 1.938 15.244 ( 1.938 0.000 0.000) 1.938 15.311 ( -2.044 0.000 0.000) 2.044 15.311 ( 2.044 0.000 0.000) 2.044 16.194 ( -0.929 0.000 0.000) 0.929 16.194 ( 0.929 0.000 0.000) 0.929 16.224 ( -0.849 0.000 0.000) 0.849 16.224 ( 0.849 0.000 0.000) 0.849 16.766 ( -0.991 0.000 0.000) 0.991 16.766 ( 0.991 0.000 0.000) 0.991 16.834 ( -0.490 0.000 0.000) 0.490 16.834 ( 0.490 0.000 0.000) 0.490 17.615 ( -2.221 0.000 0.000) 2.221 17.615 ( 2.221 0.000 0.000) 2.221 17.660 ( -0.915 0.000 0.000) 0.915 17.660 ( 0.915 0.000 0.000) 0.915 18.614 ( -0.984 0.000 0.000) 0.984 18.614 ( 0.984 0.000 0.000) 0.984 18.672 ( -0.620 0.000 0.000) 0.620 18.672 ( 0.620 0.000 0.000) 0.620 19.870 ( -1.126 0.000 0.000) 1.126 19.870 ( 1.126 0.000 0.000) 1.126 20.028 ( -5.352 0.000 0.000) 5.352 20.028 ( 5.352 0.000 0.000) 5.352 20.042 ( -0.551 0.000 0.000) 0.551 20.042 ( 0.551 0.000 0.000) 0.551 20.587 ( -1.892 0.000 0.000) 1.892 20.587 ( 1.892 0.000 0.000) 1.892 21.537 ( -0.130 0.000 0.000) 0.130 21.537 ( 0.130 0.000 0.000) 0.130 21.620 ( -0.532 0.000 0.000) 0.532 21.620 ( 0.532 0.000 0.000) 0.532 22.938 ( -0.598 0.000 0.000) 0.598 22.938 ( 0.598 0.000 0.000) 0.598 22.957 ( -0.465 0.000 0.000) 0.465 22.957 ( 0.465 0.000 0.000) 0.465 24.158 ( -0.021 0.000 0.000) 0.021 24.158 ( 0.021 0.000 0.000) 0.021 24.159 ( -0.046 0.000 0.000) 0.046 24.159 ( 0.046 0.000 0.000) 0.046 24.446 ( -0.006 0.000 0.000) 0.006 24.446 ( 0.006 0.000 0.000) 0.006 24.476 ( -0.155 0.000 0.000) 0.155 24.476 ( 0.155 0.000 0.000) 0.155 25.384 ( -1.917 0.000 0.000) 1.917 25.384 ( 1.917 0.000 0.000) 1.917 25.727 ( -4.465 0.000 0.000) 4.465 25.727 ( 4.465 0.000 0.000) 4.465 26.674 ( -1.735 0.000 0.000) 1.735 26.674 ( 1.735 0.000 0.000) 1.735 27.029 ( -6.542 0.000 0.000) 6.542 27.029 ( 6.542 0.000 0.000) 6.542 27.804 ( -1.562 0.000 0.000) 1.562 27.804 ( 1.562 0.000 0.000) 1.562 27.830 ( -0.851 0.000 0.000) 0.851 27.830 ( 0.851 0.000 0.000) 0.851 28.714 ( -7.412 0.000 0.000) 7.412 28.714 ( 7.412 0.000 0.000) 7.412 28.715 ( -1.154 0.000 0.000) 1.154 28.715 ( 1.154 0.000 0.000) 1.154 30.639 ( -2.741 0.000 0.000) 2.741 30.639 ( 2.741 0.000 0.000) 2.741 30.916 ( -1.020 0.000 0.000) 1.020 30.916 ( 1.020 0.000 0.000) 1.020 32.397 ( -6.298 0.000 0.000) 6.298 32.397 ( 6.298 0.000 0.000) 6.298 33.225 ( -8.047 0.000 0.000) 8.047 33.225 ( 8.047 0.000 0.000) 8.047 33.469 ( -8.366 0.000 0.000) 8.366 33.469 ( 8.366 0.000 0.000) 8.366 34.162 ( -4.344 0.000 0.000) 4.344 34.162 ( 4.344 0.000 0.000) 4.344 39.440 ( -0.000 0.000 0.000) 0.000 39.440 ( 0.000 0.000 0.000) 0.000 39.567 ( -0.006 0.000 0.000) 0.006 39.567 ( 0.006 0.000 0.000) 0.006 40.096 ( -2.682 0.000 0.000) 2.682 40.096 ( 2.682 0.000 0.000) 2.682 40.687 ( -0.020 0.000 0.000) 0.020 40.687 ( 0.020 0.000 0.000) 0.020 40.900 ( -0.185 0.000 0.000) 0.185 40.900 ( 0.185 0.000 0.000) 0.185 41.160 ( -6.938 0.000 0.000) 6.938 41.160 ( 6.938 0.000 0.000) 6.938 41.316 ( -20.978 0.000 0.000) 20.978 41.316 ( 20.978 0.000 0.000) 20.978 42.725 ( -1.263 0.000 0.000) 1.263 42.725 ( 1.263 0.000 0.000) 1.263 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.000 34.382 0.000) 34.382 0.640 ( 0.000 36.294 0.000) 36.294 1.213 ( 0.000 65.724 0.000) 65.724 1.779 ( 0.000 -26.316 0.000) 26.316 1.898 ( 0.000 -27.823 0.000) 27.823 2.582 ( 0.000 9.738 0.000) 9.738 2.669 ( 0.000 15.466 0.000) 15.466 2.813 ( 0.000 2.081 0.000) 2.081 3.018 ( 0.000 -6.052 0.000) 6.052 3.382 ( 0.000 -14.096 0.000) 14.096 3.385 ( 0.000 1.387 0.000) 1.387 3.521 ( 0.000 -38.770 0.000) 38.770 3.752 ( 0.000 -0.799 0.000) 0.799 3.764 ( 0.000 6.841 0.000) 6.841 3.786 ( 0.000 -1.864 0.000) 1.864 4.002 ( 0.000 -3.347 0.000) 3.347 4.125 ( 0.000 2.699 0.000) 2.699 4.308 ( 0.000 3.857 0.000) 3.857 4.315 ( 0.000 -5.143 0.000) 5.143 4.481 ( 0.000 -3.476 0.000) 3.476 5.131 ( 0.000 4.488 0.000) 4.488 5.369 ( 0.000 -6.432 0.000) 6.432 5.712 ( 0.000 3.224 0.000) 3.224 5.723 ( 0.000 39.024 0.000) 39.024 5.789 ( 0.000 -0.637 0.000) 0.637 5.867 ( 0.000 1.818 0.000) 1.818 5.918 ( 0.000 -0.389 0.000) 0.389 6.493 ( 0.000 1.521 0.000) 1.521 6.550 ( 0.000 0.220 0.000) 0.220 6.563 ( 0.000 -0.322 0.000) 0.322 6.592 ( 0.000 -3.589 0.000) 3.589 6.751 ( 0.000 3.019 0.000) 3.019 6.753 ( 0.000 3.945 0.000) 3.945 6.812 ( 0.000 0.751 0.000) 0.751 6.857 ( 0.000 -5.534 0.000) 5.534 6.905 ( 0.000 -17.246 0.000) 17.246 7.273 ( 0.000 4.698 0.000) 4.698 7.441 ( 0.000 -3.686 0.000) 3.686 7.456 ( 0.000 -4.041 0.000) 4.041 7.493 ( 0.000 -7.201 0.000) 7.201 7.933 ( 0.000 2.483 0.000) 2.483 8.010 ( 0.000 -2.883 0.000) 2.883 8.167 ( 0.000 2.066 0.000) 2.066 8.169 ( 0.000 3.430 0.000) 3.430 8.206 ( 0.000 1.460 0.000) 1.460 8.253 ( 0.000 -1.505 0.000) 1.505 8.299 ( 0.000 -0.114 0.000) 0.114 8.344 ( 0.000 -1.104 0.000) 1.104 8.401 ( 0.000 5.203 0.000) 5.203 8.483 ( 0.000 5.221 0.000) 5.221 8.699 ( 0.000 -8.133 0.000) 8.133 8.747 ( 0.000 -6.840 0.000) 6.840 8.816 ( 0.000 2.433 0.000) 2.433 8.911 ( 0.000 8.086 0.000) 8.086 8.931 ( 0.000 -2.581 0.000) 2.581 9.081 ( 0.000 5.126 0.000) 5.126 9.222 ( 0.000 -6.531 0.000) 6.531 9.231 ( 0.000 -2.359 0.000) 2.359 9.486 ( 0.000 6.756 0.000) 6.756 9.716 ( 0.000 -3.943 0.000) 3.943 9.863 ( 0.000 0.193 0.000) 0.193 9.867 ( 0.000 0.021 0.000) 0.021 10.296 ( 0.000 6.060 0.000) 6.060 10.522 ( 0.000 -4.038 0.000) 4.038 11.979 ( 0.000 -0.086 0.000) 0.086 11.986 ( 0.000 -0.349 0.000) 0.349 12.070 ( 0.000 0.600 0.000) 0.600 12.089 ( 0.000 -0.277 0.000) 0.277 12.574 ( 0.000 0.044 0.000) 0.044 12.576 ( 0.000 -0.054 0.000) 0.054 13.072 ( 0.000 0.192 0.000) 0.192 13.080 ( 0.000 -0.165 0.000) 0.165 13.158 ( 0.000 1.151 0.000) 1.151 13.228 ( 0.000 -1.960 0.000) 1.960 13.342 ( 0.000 2.243 0.000) 2.243 13.433 ( 0.000 -1.641 0.000) 1.641 14.443 ( 0.000 0.994 0.000) 0.994 14.506 ( 0.000 -1.892 0.000) 1.892 14.778 ( 0.000 1.140 0.000) 1.140 14.807 ( 0.000 -0.230 0.000) 0.230 15.116 ( 0.000 0.634 0.000) 0.634 15.156 ( 0.000 -1.247 0.000) 1.247 15.280 ( 0.000 1.489 0.000) 1.489 15.331 ( 0.000 -0.887 0.000) 0.887 16.129 ( 0.000 0.071 0.000) 0.071 16.134 ( 0.000 -0.179 0.000) 0.179 16.189 ( 0.000 0.491 0.000) 0.491 16.208 ( 0.000 -0.356 0.000) 0.356 16.601 ( 0.000 0.066 0.000) 0.066 16.611 ( 0.000 -0.482 0.000) 0.482 16.793 ( 0.000 2.619 0.000) 2.619 16.892 ( 0.000 -1.782 0.000) 1.782 17.419 ( 0.000 0.853 0.000) 0.853 17.475 ( 0.000 -1.861 0.000) 1.861 17.573 ( 0.000 1.089 0.000) 1.089 17.599 ( 0.000 -0.324 0.000) 0.324 18.524 ( 0.000 0.637 0.000) 0.637 18.565 ( 0.000 -1.424 0.000) 1.424 18.613 ( 0.000 0.956 0.000) 0.956 18.633 ( 0.000 -0.186 0.000) 0.186 19.805 ( 0.000 0.770 0.000) 0.770 19.849 ( 0.000 -1.236 0.000) 1.236 20.008 ( 0.000 1.205 0.000) 1.205 20.050 ( 0.000 -0.739 0.000) 0.739 20.424 ( 0.000 0.118 0.000) 0.118 20.429 ( 0.000 -0.101 0.000) 0.101 20.635 ( 0.000 0.015 0.000) 0.015 20.636 ( 0.000 -0.030 0.000) 0.030 21.585 ( 0.000 0.578 0.000) 0.578 21.616 ( 0.000 -0.761 0.000) 0.761 21.649 ( 0.000 0.387 0.000) 0.387 21.664 ( 0.000 -0.234 0.000) 0.234 22.926 ( 0.000 0.145 0.000) 0.145 22.933 ( 0.000 -0.149 0.000) 0.149 22.962 ( 0.000 0.020 0.000) 0.020 22.962 ( 0.000 -0.013 0.000) 0.013 24.159 ( 0.000 0.017 0.000) 0.017 24.160 ( 0.000 0.067 0.000) 0.067 24.160 ( 0.000 -0.033 0.000) 0.033 24.163 ( 0.000 -0.051 0.000) 0.051 24.388 ( 0.000 0.092 0.000) 0.092 24.402 ( 0.000 -0.506 0.000) 0.506 24.438 ( 0.000 0.677 0.000) 0.677 24.460 ( 0.000 -0.284 0.000) 0.284 25.225 ( 0.000 1.899 0.000) 1.899 25.320 ( 0.000 -2.379 0.000) 2.379 25.495 ( 0.000 0.905 0.000) 0.905 25.519 ( 0.000 -0.284 0.000) 0.284 26.447 ( 0.000 0.895 0.000) 0.895 26.493 ( 0.000 -1.102 0.000) 1.102 26.651 ( 0.000 0.133 0.000) 0.133 26.653 ( 0.000 0.083 0.000) 0.083 27.741 ( 0.000 0.706 0.000) 0.706 27.785 ( 0.000 -1.460 0.000) 1.460 27.880 ( 0.000 1.497 0.000) 1.497 27.927 ( 0.000 -0.748 0.000) 0.748 28.657 ( 0.000 0.507 0.000) 0.507 28.678 ( 0.000 -0.414 0.000) 0.414 29.215 ( 0.000 1.168 0.000) 1.168 29.272 ( 0.000 -1.319 0.000) 1.319 30.443 ( 0.000 1.751 0.000) 1.751 30.552 ( 0.000 -3.702 0.000) 3.702 30.739 ( 0.000 3.783 0.000) 3.783 30.850 ( 0.000 -1.755 0.000) 1.755 32.360 ( 0.000 2.185 0.000) 2.185 32.506 ( 0.000 -5.321 0.000) 5.321 32.537 ( 0.000 2.484 0.000) 2.484 32.651 ( 0.000 -2.497 0.000) 2.497 32.842 ( 0.000 8.112 0.000) 8.112 33.125 ( 0.000 -5.346 0.000) 5.346 34.869 ( 0.000 0.813 0.000) 0.813 34.905 ( 0.000 -0.749 0.000) 0.749 39.419 ( 0.000 0.003 0.000) 0.003 39.419 ( 0.000 -0.007 0.000) 0.007 39.546 ( 0.000 0.005 0.000) 0.005 39.546 ( 0.000 -0.006 0.000) 0.006 39.932 ( 0.000 0.718 0.000) 0.718 39.955 ( 0.000 -0.290 0.000) 0.290 40.098 ( 0.000 0.459 0.000) 0.459 40.126 ( 0.000 -0.733 0.000) 0.733 40.706 ( 0.000 0.171 0.000) 0.171 40.714 ( 0.000 -0.183 0.000) 0.183 40.921 ( 0.000 0.197 0.000) 0.197 40.929 ( 0.000 -0.187 0.000) 0.187 41.462 ( 0.000 4.539 0.000) 4.539 41.772 ( 0.000 -11.577 0.000) 11.577 42.367 ( 0.000 14.305 0.000) 14.305 42.802 ( 0.000 -7.280 0.000) 7.280 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 21.903 27.135 0.000) 34.872 1.227 ( 44.430 17.252 0.000) 47.662 1.911 ( 54.217 26.384 0.000) 60.296 2.065 ( 28.872 -17.214 0.000) 33.614 2.131 ( 17.998 -27.748 0.000) 33.074 2.746 ( 12.597 10.289 0.000) 16.265 2.871 ( 21.249 14.916 0.000) 25.962 2.952 ( 12.362 -4.717 0.000) 13.231 3.120 ( 8.377 -6.037 0.000) 10.325 3.437 ( 4.806 0.643 0.000) 4.849 3.438 ( 3.700 -2.639 0.000) 4.545 3.597 ( 5.509 -25.453 0.000) 26.043 3.679 ( -4.523 1.584 0.000) 4.793 3.703 ( -4.352 -2.546 0.000) 5.042 3.891 ( 7.570 4.227 0.000) 8.670 4.071 ( 9.138 -4.691 0.000) 10.272 4.184 ( 4.403 0.952 0.000) 4.505 4.251 ( 3.956 -2.233 0.000) 4.543 4.310 ( -0.135 5.097 0.000) 5.099 4.549 ( -1.926 -3.558 0.000) 4.046 5.124 ( 0.793 3.600 0.000) 3.686 5.282 ( -21.851 -1.624 0.000) 21.912 5.382 ( -13.447 -1.061 0.000) 13.489 5.472 ( -27.387 -3.067 0.000) 27.558 5.690 ( -1.833 11.784 0.000) 11.926 5.820 ( -7.386 -0.428 0.000) 7.399 5.946 ( 2.646 14.546 0.000) 14.785 5.982 ( -28.387 5.588 0.000) 28.932 6.119 ( -29.521 -2.674 0.000) 29.641 6.490 ( -12.015 6.447 0.000) 13.635 6.655 ( 4.366 2.278 0.000) 4.925 6.678 ( -0.506 2.111 0.000) 2.171 6.889 ( 9.888 -0.595 0.000) 9.906 6.899 ( 8.566 0.057 0.000) 8.566 7.076 ( 15.429 1.514 0.000) 15.503 7.120 ( 2.988 0.342 0.000) 3.007 7.155 ( 5.335 1.821 0.000) 5.637 7.328 ( -17.335 -5.841 0.000) 18.292 7.447 ( -1.049 -3.993 0.000) 4.129 7.482 ( -1.317 -6.015 0.000) 6.158 7.638 ( -13.945 7.269 0.000) 15.726 7.788 ( -12.445 0.557 0.000) 12.457 7.820 ( -9.920 -0.185 0.000) 9.922 7.925 ( -11.526 -8.919 0.000) 14.574 8.271 ( -2.187 1.354 0.000) 2.572 8.337 ( -2.276 -1.273 0.000) 2.608 8.343 ( -0.336 1.970 0.000) 1.998 8.363 ( 2.639 -0.078 0.000) 2.641 8.587 ( 9.545 4.404 0.000) 10.512 8.713 ( 3.645 1.744 0.000) 4.041 8.781 ( 5.485 4.244 0.000) 6.935 8.808 ( -7.213 -1.913 0.000) 7.463 8.821 ( 6.275 -5.705 0.000) 8.481 8.908 ( -0.813 1.876 0.000) 2.045 8.954 ( 1.257 3.765 0.000) 3.970 9.143 ( -8.010 -0.419 0.000) 8.021 9.319 ( 10.534 -5.479 0.000) 11.874 9.348 ( 16.365 -9.748 0.000) 19.048 9.598 ( 10.392 5.307 0.000) 11.669 9.768 ( 7.267 -1.606 0.000) 7.442 9.873 ( 8.321 -0.565 0.000) 8.340 9.906 ( 4.544 -2.440 0.000) 5.158 10.368 ( 6.283 8.573 0.000) 10.629 10.753 ( 5.072 -13.414 0.000) 14.341 11.941 ( -2.522 1.424 0.000) 2.896 11.967 ( -0.839 -0.615 0.000) 1.041 12.060 ( -0.974 0.792 0.000) 1.256 12.084 ( -0.494 -0.431 0.000) 0.656 12.504 ( -6.320 0.098 0.000) 6.320 12.509 ( -6.101 -0.124 0.000) 6.102 12.979 ( -8.517 0.303 0.000) 8.522 12.991 ( -14.405 7.426 0.000) 16.207 12.992 ( -8.150 -0.277 0.000) 8.154 13.062 ( -7.761 -0.111 0.000) 7.762 13.242 ( -4.787 1.636 0.000) 5.059 13.245 ( -8.114 1.052 0.000) 8.182 14.465 ( 1.177 -0.281 0.000) 1.210 14.493 ( -1.122 -1.259 0.000) 1.686 14.786 ( -5.111 3.400 0.000) 6.139 14.805 ( 0.930 1.005 0.000) 1.369 15.143 ( 2.430 0.655 0.000) 2.517 15.184 ( 2.436 -1.273 0.000) 2.748 15.286 ( 0.437 1.547 0.000) 1.608 15.335 ( 0.234 -0.823 0.000) 0.856 16.147 ( 1.109 0.039 0.000) 1.109 16.158 ( 1.638 -0.791 0.000) 1.819 16.207 ( 1.363 0.346 0.000) 1.406 16.216 ( 0.247 0.158 0.000) 0.293 16.643 ( 3.709 0.366 0.000) 3.727 16.662 ( 4.347 -0.496 0.000) 4.376 16.813 ( 1.589 1.920 0.000) 2.493 16.878 ( -1.218 -1.093 0.000) 1.636 17.448 ( 3.052 0.878 0.000) 3.176 17.508 ( 3.033 -2.026 0.000) 3.648 17.592 ( 1.944 1.283 0.000) 2.329 17.614 ( 1.605 0.241 0.000) 1.623 18.545 ( 1.866 0.509 0.000) 1.934 18.582 ( 1.382 -1.539 0.000) 2.068 18.632 ( 1.407 0.793 0.000) 1.615 18.647 ( 1.268 -0.123 0.000) 1.274 19.819 ( 1.335 0.938 0.000) 1.632 19.869 ( 1.570 -0.969 0.000) 1.845 19.983 ( -1.974 2.220 0.000) 2.971 20.044 ( -0.620 -0.902 0.000) 1.094 20.220 ( -11.755 7.588 0.000) 13.992 20.334 ( -8.394 -0.796 0.000) 8.431 20.501 ( 1.470 3.935 0.000) 4.201 20.618 ( -0.966 -1.348 0.000) 1.658 21.602 ( -1.453 -0.040 0.000) 1.454 21.612 ( 0.184 -0.732 0.000) 0.755 21.624 ( -2.143 0.544 0.000) 2.211 21.651 ( -1.055 -0.626 0.000) 1.226 22.926 ( 0.022 0.163 0.000) 0.165 22.935 ( 0.199 -0.204 0.000) 0.285 22.959 ( -0.178 0.096 0.000) 0.203 22.963 ( 0.044 -0.058 0.000) 0.072 24.159 ( -0.032 0.012 0.000) 0.034 24.160 ( -0.050 0.015 0.000) 0.052 24.160 ( -0.050 0.016 0.000) 0.053 24.162 ( -0.082 -0.044 0.000) 0.093 24.421 ( 1.357 0.075 0.000) 1.359 24.437 ( 0.492 0.029 0.000) 0.492 24.462 ( 1.332 -1.089 0.000) 1.720 24.464 ( 0.351 -0.194 0.000) 0.401 25.293 ( 5.014 4.029 0.000) 6.432 25.461 ( -1.029 -0.856 0.000) 1.339 25.557 ( 3.533 -0.032 0.000) 3.533 25.722 ( 8.615 -12.483 0.000) 15.167 26.543 ( 4.301 0.637 0.000) 4.348 26.655 ( 2.063 -1.685 0.000) 2.664 26.711 ( 5.791 -0.438 0.000) 5.808 26.809 ( 18.316 -18.024 0.000) 25.697 27.751 ( 0.964 0.605 0.000) 1.138 27.790 ( 0.476 -1.336 0.000) 1.418 27.871 ( -0.932 1.279 0.000) 1.583 27.893 ( -2.244 1.024 0.000) 2.466 28.641 ( -0.961 0.711 0.000) 1.195 28.674 ( -0.140 -0.700 0.000) 0.713 28.922 ( -12.058 12.737 0.000) 17.539 29.149 ( -10.881 -2.292 0.000) 11.119 30.504 ( 5.020 3.363 0.000) 6.042 30.696 ( 1.443 -1.273 0.000) 1.924 30.830 ( 5.879 -7.085 0.000) 9.206 30.858 ( 0.722 -1.796 0.000) 1.936 32.280 ( -1.201 3.777 0.000) 3.963 32.600 ( 8.051 -12.764 0.000) 15.091 32.625 ( -1.354 4.452 0.000) 4.653 32.799 ( 16.123 -1.949 0.000) 16.240 33.196 ( 7.634 -1.477 0.000) 7.776 33.294 ( 22.357 -12.848 0.000) 25.785 34.518 ( -19.096 13.795 0.000) 23.558 34.715 ( -16.463 -1.538 0.000) 16.535 39.423 ( 0.456 -0.044 0.000) 0.458 39.424 ( 0.441 -0.038 0.000) 0.442 39.551 ( 0.508 0.050 0.000) 0.510 39.551 ( 0.486 0.023 0.000) 0.486 39.977 ( 3.174 2.244 0.000) 3.887 40.105 ( 1.035 -3.259 0.000) 3.419 40.347 ( 22.226 2.109 0.000) 22.326 40.653 ( 25.874 -19.142 0.000) 32.185 40.702 ( -0.303 -0.183 0.000) 0.354 40.711 ( -0.172 -0.235 0.000) 0.291 40.915 ( -0.488 0.209 0.000) 0.531 40.925 ( -0.356 -0.236 0.000) 0.427 41.439 ( -2.255 5.695 0.000) 6.125 41.825 ( -0.214 -10.343 0.000) 10.345 42.476 ( 7.358 -5.146 0.000) 8.980 42.768 ( -3.143 -7.496 0.000) 8.128 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 27.443 8.582 0.000) 28.753 2.136 ( 42.007 6.320 0.000) 42.480 2.345 ( -0.109 -27.014 0.000) 27.014 2.643 ( 30.659 -13.997 0.000) 33.703 2.953 ( 28.954 -0.781 0.000) 28.964 2.973 ( 12.603 6.774 0.000) 14.308 3.136 ( -7.168 -6.891 0.000) 9.943 3.281 ( 16.656 -9.830 0.000) 19.341 3.507 ( 5.305 5.955 0.000) 7.975 3.511 ( 20.519 12.544 0.000) 24.050 3.565 ( 25.773 7.644 0.000) 26.883 3.618 ( 8.558 3.701 0.000) 9.324 3.683 ( 10.758 3.317 0.000) 11.258 3.889 ( 11.195 3.474 0.000) 11.722 4.060 ( 7.143 7.535 0.000) 10.382 4.181 ( -5.941 2.417 0.000) 6.414 4.206 ( -5.311 5.117 0.000) 7.375 4.342 ( 2.764 3.298 0.000) 4.303 4.456 ( 6.281 -2.863 0.000) 6.903 4.521 ( 11.709 -10.713 0.000) 15.871 4.648 ( -27.507 4.360 0.000) 27.851 4.847 ( -27.131 -5.751 0.000) 27.734 5.184 ( 1.246 -3.194 0.000) 3.428 5.281 ( -3.529 -6.866 0.000) 7.719 5.312 ( -30.792 5.326 0.000) 31.249 5.505 ( -30.163 -3.344 0.000) 30.347 5.656 ( -7.856 -1.887 0.000) 8.079 5.662 ( -2.965 -4.382 0.000) 5.290 6.074 ( 3.272 15.237 0.000) 15.584 6.415 ( -2.556 0.529 0.000) 2.610 6.614 ( -5.626 7.100 0.000) 9.059 6.676 ( -1.821 2.933 0.000) 3.452 6.885 ( -8.577 -2.000 0.000) 8.807 6.981 ( -5.849 -0.331 0.000) 5.858 7.069 ( 1.091 0.366 0.000) 1.151 7.092 ( 1.394 -0.713 0.000) 1.566 7.231 ( -4.820 -3.607 0.000) 6.020 7.259 ( 2.288 1.450 0.000) 2.709 7.406 ( 0.267 -8.787 0.000) 8.791 7.410 ( -4.052 -10.881 0.000) 11.611 7.541 ( -0.568 2.040 0.000) 2.118 7.569 ( -4.128 0.242 0.000) 4.135 7.718 ( -0.141 4.251 0.000) 4.253 7.806 ( -3.495 -0.039 0.000) 3.495 8.230 ( -1.243 1.317 0.000) 1.811 8.284 ( -2.538 -0.955 0.000) 2.712 8.292 ( -2.970 2.092 0.000) 3.633 8.379 ( -2.497 -1.926 0.000) 3.153 8.605 ( -5.360 2.106 0.000) 5.758 8.665 ( -5.557 -0.356 0.000) 5.568 8.814 ( 10.148 1.843 0.000) 10.314 8.876 ( 2.062 2.164 0.000) 2.989 8.882 ( 0.059 0.589 0.000) 0.592 8.927 ( -1.992 -2.393 0.000) 3.114 8.950 ( -1.280 3.550 0.000) 3.774 9.010 ( 0.183 -0.753 0.000) 0.775 9.553 ( 9.158 -1.817 0.000) 9.336 9.566 ( 7.104 -2.368 0.000) 7.488 9.849 ( 12.950 2.560 0.000) 13.201 9.981 ( 9.945 -3.895 0.000) 10.680 10.040 ( 7.609 -6.257 0.000) 9.851 10.061 ( 7.777 -6.897 0.000) 10.394 10.498 ( 5.672 9.904 0.000) 11.413 10.702 ( -6.395 0.176 0.000) 6.398 11.924 ( 0.763 0.654 0.000) 1.005 11.962 ( 0.549 -1.374 0.000) 1.479 12.032 ( -1.696 1.262 0.000) 2.114 12.063 ( -1.663 -0.461 0.000) 1.726 12.364 ( -6.398 0.111 0.000) 6.399 12.371 ( -6.519 -0.175 0.000) 6.521 12.785 ( -9.035 0.393 0.000) 9.043 12.801 ( -9.378 -0.312 0.000) 9.383 12.848 ( -1.739 2.287 0.000) 2.873 12.940 ( -3.104 -2.250 0.000) 3.834 13.067 ( -8.606 2.075 0.000) 8.852 13.126 ( -6.861 -0.769 0.000) 6.904 14.479 ( 0.330 0.696 0.000) 0.771 14.517 ( 4.435 -1.014 0.000) 4.549 14.646 ( -7.392 5.199 0.000) 9.037 14.767 ( -4.754 -0.926 0.000) 4.844 15.199 ( 2.811 0.541 0.000) 2.863 15.235 ( 2.189 -1.393 0.000) 2.595 15.292 ( 0.275 1.479 0.000) 1.504 15.333 ( -0.601 -0.625 0.000) 0.868 16.173 ( 1.366 0.241 0.000) 1.387 16.189 ( 1.330 -0.634 0.000) 1.473 16.217 ( -0.103 0.584 0.000) 0.593 16.227 ( 0.413 -0.073 0.000) 0.419 16.723 ( 3.671 0.609 0.000) 3.721 16.745 ( 3.133 -0.385 0.000) 3.156 16.834 ( 0.357 0.930 0.000) 0.996 16.853 ( -1.138 -0.056 0.000) 1.139 17.535 ( 5.002 0.542 0.000) 5.031 17.578 ( 3.395 -1.693 0.000) 3.793 17.642 ( 2.405 1.266 0.000) 2.718 17.654 ( 1.850 0.461 0.000) 1.907 18.584 ( 1.793 0.189 0.000) 1.803 18.607 ( 0.826 -1.041 0.000) 1.329 18.660 ( 1.228 0.772 0.000) 1.451 18.671 ( 0.871 0.032 0.000) 0.871 19.853 ( 1.898 1.320 0.000) 2.311 19.902 ( 1.239 1.274 0.000) 1.777 19.951 ( -0.520 -0.029 0.000) 0.521 20.029 ( -0.826 -1.442 0.000) 1.662 20.089 ( -3.306 2.056 0.000) 3.893 20.158 ( -7.955 -1.156 0.000) 8.039 20.548 ( 2.442 1.366 0.000) 2.798 20.605 ( -0.585 -1.053 0.000) 1.205 21.563 ( -1.981 0.442 0.000) 2.030 21.570 ( -2.437 0.377 0.000) 2.466 21.613 ( -0.148 -0.254 0.000) 0.294 21.630 ( -0.999 -0.744 0.000) 1.246 22.929 ( 0.222 0.061 0.000) 0.231 22.938 ( 0.053 -0.481 0.000) 0.484 22.956 ( -0.023 0.360 0.000) 0.360 22.963 ( -0.060 -0.036 0.000) 0.070 24.158 ( -0.034 0.006 0.000) 0.034 24.159 ( -0.061 -0.016 0.000) 0.063 24.159 ( -0.025 0.034 0.000) 0.042 24.160 ( -0.084 -0.025 0.000) 0.087 24.442 ( 0.673 0.273 0.000) 0.727 24.445 ( 0.345 0.290 0.000) 0.451 24.471 ( 0.319 -0.058 0.000) 0.325 24.474 ( 0.223 -0.331 0.000) 0.399 25.373 ( 2.710 3.711 0.000) 4.595 25.434 ( -1.331 0.957 0.000) 1.639 25.636 ( 3.854 0.106 0.000) 3.856 25.762 ( -1.603 -4.939 0.000) 5.192 26.630 ( 3.852 1.693 0.000) 4.208 26.685 ( 0.997 0.042 0.000) 0.998 26.862 ( 8.201 -0.644 0.000) 8.226 27.009 ( 3.326 -9.910 0.000) 10.453 27.776 ( 1.406 0.348 0.000) 1.448 27.802 ( 0.595 -0.996 0.000) 1.160 27.847 ( -1.300 0.916 0.000) 1.590 27.857 ( -1.472 0.624 0.000) 1.598 28.639 ( 1.213 0.861 0.000) 1.488 28.681 ( 0.954 -0.960 0.000) 1.353 28.778 ( -4.097 4.580 0.000) 6.145 28.907 ( -11.827 -1.726 0.000) 11.952 30.604 ( 4.409 4.068 0.000) 5.999 30.699 ( -0.616 1.907 0.000) 2.004 30.875 ( 0.827 -2.077 0.000) 2.235 30.886 ( 0.846 -4.569 0.000) 4.646 32.333 ( 5.591 6.085 0.000) 8.263 32.574 ( -3.982 7.156 0.000) 8.189 32.802 ( 10.972 -16.927 0.000) 20.172 33.007 ( 4.141 -13.876 0.000) 14.481 33.425 ( 12.625 7.274 0.000) 14.570 33.561 ( 6.449 -1.478 0.000) 6.616 34.251 ( -8.388 6.730 0.000) 10.755 34.371 ( -15.265 -0.676 0.000) 15.280 39.434 ( 0.472 -0.074 0.000) 0.477 39.434 ( 0.463 -0.069 0.000) 0.469 39.562 ( 0.507 0.069 0.000) 0.512 39.562 ( 0.513 0.071 0.000) 0.518 40.045 ( 3.379 1.741 0.000) 3.801 40.118 ( 0.042 -1.420 0.000) 1.421 40.685 ( 1.103 0.304 0.000) 1.144 40.692 ( -0.435 0.053 0.000) 0.439 40.842 ( 19.582 -0.223 0.000) 19.584 40.902 ( 0.699 -0.987 0.000) 1.209 40.906 ( 0.036 0.326 0.000) 0.328 40.966 ( 7.534 -5.046 0.000) 9.068 41.388 ( -1.739 9.870 0.000) 10.022 41.714 ( -9.913 1.560 0.000) 10.035 42.574 ( 2.916 -10.664 0.000) 11.055 42.693 ( -3.897 -8.058 0.000) 8.951 ======================= Grid point 10 (8/72) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -24.592 -11.261 0.000) 27.048 2.019 ( 24.592 -11.261 0.000) 27.048 2.869 ( -20.737 2.730 0.000) 20.916 2.869 ( 20.737 2.730 0.000) 20.916 3.027 ( -4.414 -10.256 0.000) 11.165 3.027 ( 4.414 -10.256 0.000) 11.165 3.367 ( -10.401 -6.093 0.000) 12.054 3.367 ( 10.401 -6.093 0.000) 12.054 3.605 ( -0.164 7.041 0.000) 7.043 3.605 ( 0.164 7.041 0.000) 7.043 3.809 ( -2.332 6.124 0.000) 6.553 3.809 ( 2.332 6.124 0.000) 6.553 4.008 ( -0.064 0.596 0.000) 0.599 4.008 ( 0.064 0.596 0.000) 0.599 4.086 ( -4.899 12.173 0.000) 13.122 4.086 ( 4.899 12.173 0.000) 13.122 4.255 ( -13.790 -2.071 0.000) 13.944 4.255 ( 13.790 -2.071 0.000) 13.944 4.452 ( -20.061 1.114 0.000) 20.092 4.452 ( 20.061 1.114 0.000) 20.092 4.674 ( -17.530 8.733 0.000) 19.585 4.674 ( 17.530 8.733 0.000) 19.585 5.003 ( -14.432 -2.197 0.000) 14.599 5.003 ( 14.432 -2.197 0.000) 14.599 5.224 ( -2.220 -7.969 0.000) 8.272 5.224 ( 2.220 -7.969 0.000) 8.272 5.562 ( -0.901 -1.709 0.000) 1.932 5.562 ( 0.901 -1.709 0.000) 1.932 6.213 ( -13.888 -1.669 0.000) 13.988 6.213 ( 13.888 -1.669 0.000) 13.988 6.606 ( -3.845 6.795 0.000) 7.807 6.606 ( 3.845 6.795 0.000) 7.807 6.854 ( -3.595 -2.511 0.000) 4.385 6.854 ( 3.595 -2.511 0.000) 4.385 7.089 ( -1.645 -2.842 0.000) 3.283 7.089 ( 1.645 -2.842 0.000) 3.283 7.226 ( -2.973 -1.043 0.000) 3.150 7.226 ( 2.973 -1.043 0.000) 3.150 7.397 ( -1.442 -7.885 0.000) 8.016 7.397 ( 1.442 -7.885 0.000) 8.016 7.541 ( -0.267 1.334 0.000) 1.361 7.541 ( 0.267 1.334 0.000) 1.361 7.750 ( -2.332 5.389 0.000) 5.872 7.750 ( 2.332 5.389 0.000) 5.872 8.244 ( -1.856 -0.455 0.000) 1.911 8.244 ( 1.856 -0.455 0.000) 1.911 8.281 ( -3.357 -0.384 0.000) 3.379 8.281 ( 3.357 -0.384 0.000) 3.379 8.586 ( -2.319 0.975 0.000) 2.516 8.586 ( 2.319 0.975 0.000) 2.516 8.860 ( -1.525 -0.199 0.000) 1.538 8.860 ( 1.525 -0.199 0.000) 1.538 8.913 ( -1.842 1.966 0.000) 2.694 8.913 ( 1.842 1.966 0.000) 2.694 9.007 ( -4.351 -0.412 0.000) 4.370 9.007 ( 4.351 -0.412 0.000) 4.370 9.641 ( -0.049 0.066 0.000) 0.082 9.641 ( 0.049 0.066 0.000) 0.082 10.042 ( -4.593 -0.008 0.000) 4.593 10.042 ( 4.593 -0.008 0.000) 4.593 10.140 ( -0.681 -10.937 0.000) 10.958 10.140 ( 0.681 -10.937 0.000) 10.958 10.589 ( -4.323 8.349 0.000) 9.402 10.589 ( 4.323 8.349 0.000) 9.402 11.957 ( -1.867 -0.108 0.000) 1.870 11.957 ( 1.867 -0.108 0.000) 1.870 12.024 ( -1.663 0.210 0.000) 1.676 12.024 ( 1.663 0.210 0.000) 1.676 12.295 ( -0.244 -0.057 0.000) 0.250 12.295 ( 0.244 -0.057 0.000) 0.250 12.688 ( -0.524 0.014 0.000) 0.524 12.688 ( 0.524 0.014 0.000) 0.524 12.883 ( -4.310 0.352 0.000) 4.324 12.883 ( 4.310 0.352 0.000) 4.324 13.002 ( -3.967 -0.386 0.000) 3.985 13.002 ( 3.967 -0.386 0.000) 3.985 14.523 ( -4.201 3.416 0.000) 5.415 14.523 ( 4.201 3.416 0.000) 5.415 14.640 ( -7.009 -1.797 0.000) 7.235 14.640 ( 7.009 -1.797 0.000) 7.235 15.244 ( -1.370 -0.005 0.000) 1.370 15.244 ( 1.370 -0.005 0.000) 1.370 15.310 ( -1.443 -0.009 0.000) 1.443 15.310 ( 1.443 -0.009 0.000) 1.443 16.195 ( -0.718 0.143 0.000) 0.733 16.195 ( 0.719 0.143 0.000) 0.733 16.223 ( -0.658 -0.111 0.000) 0.667 16.223 ( 0.658 -0.111 0.000) 0.667 16.771 ( -0.729 0.398 0.000) 0.831 16.771 ( 0.729 0.398 0.000) 0.831 16.837 ( -0.332 0.224 0.000) 0.400 16.837 ( 0.332 0.224 0.000) 0.400 17.609 ( -1.303 -0.450 0.000) 1.378 17.609 ( 1.303 -0.450 0.000) 1.378 17.669 ( -0.390 0.693 0.000) 0.795 17.669 ( 0.390 0.693 0.000) 0.795 18.610 ( -0.617 -0.326 0.000) 0.698 18.610 ( 0.617 -0.326 0.000) 0.698 18.677 ( -0.359 0.350 0.000) 0.501 18.677 ( 0.359 0.350 0.000) 0.501 19.890 ( -1.688 2.079 0.000) 2.678 19.890 ( 1.688 2.079 0.000) 2.678 19.992 ( -3.416 -2.670 0.000) 4.336 19.992 ( 3.416 -2.670 0.000) 4.336 20.061 ( -0.851 0.891 0.000) 1.233 20.061 ( 0.851 0.891 0.000) 1.233 20.587 ( -1.342 -0.003 0.000) 1.342 20.587 ( 1.342 -0.003 0.000) 1.342 21.542 ( -0.127 0.450 0.000) 0.467 21.542 ( 0.127 0.450 0.000) 0.467 21.615 ( -0.412 -0.468 0.000) 0.624 21.615 ( 0.412 -0.468 0.000) 0.624 22.935 ( -0.340 -0.260 0.000) 0.428 22.935 ( 0.340 -0.260 0.000) 0.428 22.960 ( -0.245 0.187 0.000) 0.308 22.960 ( 0.245 0.187 0.000) 0.308 24.158 ( -0.016 -0.001 0.000) 0.016 24.158 ( 0.016 -0.001 0.000) 0.016 24.159 ( -0.032 0.001 0.000) 0.032 24.159 ( 0.032 0.001 0.000) 0.032 24.449 ( -0.030 0.286 0.000) 0.288 24.449 ( 0.030 0.286 0.000) 0.288 24.476 ( -0.086 -0.085 0.000) 0.121 24.476 ( 0.086 -0.085 0.000) 0.121 25.409 ( -1.267 2.409 0.000) 2.722 25.409 ( 1.267 2.409 0.000) 2.722 25.707 ( -3.338 -1.868 0.000) 3.825 25.707 ( 3.338 -1.868 0.000) 3.825 26.684 ( -1.352 0.988 0.000) 1.674 26.684 ( 1.352 0.988 0.000) 1.674 26.994 ( -4.193 -3.090 0.000) 5.208 26.994 ( 4.193 -3.090 0.000) 5.208 27.802 ( -0.978 -0.137 0.000) 0.988 27.802 ( 0.978 -0.137 0.000) 0.988 27.834 ( -0.541 0.347 0.000) 0.642 27.834 ( 0.541 0.347 0.000) 0.642 28.698 ( -2.234 -0.681 0.000) 2.335 28.698 ( 2.234 -0.681 0.000) 2.335 28.734 ( -2.119 0.880 0.000) 2.294 28.734 ( 2.119 0.880 0.000) 2.294 30.671 ( -2.286 3.185 0.000) 3.921 30.671 ( 2.286 3.185 0.000) 3.921 30.888 ( -0.406 -2.849 0.000) 2.878 30.888 ( 0.406 -2.849 0.000) 2.878 32.464 ( -6.635 7.442 0.000) 9.970 32.464 ( 6.635 7.442 0.000) 9.970 32.985 ( -5.965 -18.221 0.000) 19.172 32.985 ( 5.965 -18.221 0.000) 19.172 33.595 ( -3.278 6.746 0.000) 7.500 33.595 ( 3.278 6.746 0.000) 7.500 34.183 ( -2.566 1.763 0.000) 3.113 34.183 ( 2.566 1.763 0.000) 3.113 39.439 ( -0.002 -0.081 0.000) 0.081 39.439 ( 0.002 -0.081 0.000) 0.081 39.568 ( -0.006 0.085 0.000) 0.085 39.568 ( 0.006 0.085 0.000) 0.085 40.100 ( -1.898 0.359 0.000) 1.932 40.100 ( 1.898 0.359 0.000) 1.932 40.687 ( -0.026 -0.033 0.000) 0.042 40.687 ( 0.026 -0.033 0.000) 0.042 40.900 ( -0.092 0.051 0.000) 0.105 40.900 ( 0.092 0.051 0.000) 0.105 41.066 ( -0.107 -5.300 0.000) 5.301 41.066 ( 0.107 -5.300 0.000) 5.301 41.476 ( -11.562 11.459 0.000) 16.279 41.476 ( 11.562 11.459 0.000) 16.279 42.625 ( -2.782 -9.125 0.000) 9.540 42.625 ( 2.782 -9.125 0.000) 9.540 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 -31.753 0.000) 31.753 1.235 ( 0.000 31.753 0.000) 31.753 1.303 ( 0.000 -36.066 0.000) 36.066 1.303 ( 0.000 36.066 0.000) 36.066 2.386 ( 0.000 -61.456 0.000) 61.456 2.386 ( 0.000 61.456 0.000) 61.456 2.759 ( 0.000 -7.743 0.000) 7.743 2.759 ( 0.000 7.743 0.000) 7.743 2.909 ( 0.000 -11.170 0.000) 11.170 2.909 ( 0.000 11.170 0.000) 11.170 3.409 ( 0.000 -1.234 0.000) 1.234 3.409 ( 0.000 1.234 0.000) 1.234 3.754 ( 0.000 -1.171 0.000) 1.171 3.754 ( 0.000 1.171 0.000) 1.171 3.906 ( 0.000 -7.330 0.000) 7.330 3.906 ( 0.000 7.330 0.000) 7.330 4.203 ( 0.000 -5.912 0.000) 5.912 4.203 ( 0.000 5.912 0.000) 5.912 4.396 ( 0.000 -5.363 0.000) 5.363 4.396 ( 0.000 5.363 0.000) 5.363 5.241 ( 0.000 -7.136 0.000) 7.136 5.241 ( 0.000 7.136 0.000) 7.136 5.764 ( 0.000 -2.176 0.000) 2.176 5.764 ( 0.000 2.176 0.000) 2.176 5.901 ( 0.000 -1.539 0.000) 1.539 5.901 ( 0.000 1.539 0.000) 1.539 6.397 ( 0.000 -33.380 0.000) 33.380 6.397 ( 0.000 33.380 0.000) 33.380 6.533 ( 0.000 -2.807 0.000) 2.807 6.533 ( 0.000 2.807 0.000) 2.807 6.556 ( 0.000 -0.396 0.000) 0.396 6.556 ( 0.000 0.396 0.000) 0.396 6.804 ( 0.000 -2.001 0.000) 2.001 6.804 ( 0.000 2.001 0.000) 2.001 6.820 ( 0.000 -3.335 0.000) 3.335 6.820 ( 0.000 3.335 0.000) 3.335 7.366 ( 0.000 -6.092 0.000) 6.092 7.366 ( 0.000 6.092 0.000) 6.092 7.404 ( 0.000 -0.591 0.000) 0.591 7.404 ( 0.000 0.591 0.000) 0.591 7.968 ( 0.000 -1.755 0.000) 1.755 7.968 ( 0.000 1.755 0.000) 1.755 8.214 ( 0.000 -2.698 0.000) 2.698 8.214 ( 0.000 2.698 0.000) 2.698 8.217 ( 0.000 -0.916 0.000) 0.916 8.217 ( 0.000 0.916 0.000) 0.916 8.310 ( 0.000 -1.680 0.000) 1.680 8.310 ( 0.000 1.680 0.000) 1.680 8.538 ( 0.000 -8.941 0.000) 8.941 8.538 ( 0.000 8.941 0.000) 8.941 8.606 ( 0.000 -7.906 0.000) 7.906 8.606 ( 0.000 7.906 0.000) 7.906 8.873 ( 0.000 -3.550 0.000) 3.550 8.873 ( 0.000 3.550 0.000) 3.550 9.075 ( 0.000 -9.181 0.000) 9.181 9.075 ( 0.000 9.181 0.000) 9.181 9.170 ( 0.000 -4.296 0.000) 4.296 9.170 ( 0.000 4.296 0.000) 4.296 9.616 ( 0.000 -6.848 0.000) 6.848 9.616 ( 0.000 6.848 0.000) 6.848 9.867 ( 0.000 -0.119 0.000) 0.119 9.867 ( 0.000 0.119 0.000) 0.119 10.420 ( 0.000 -6.845 0.000) 6.845 10.420 ( 0.000 6.845 0.000) 6.845 11.980 ( 0.000 -0.233 0.000) 0.233 11.980 ( 0.000 0.233 0.000) 0.233 12.081 ( 0.000 -0.573 0.000) 0.573 12.081 ( 0.000 0.573 0.000) 0.573 12.575 ( 0.000 -0.069 0.000) 0.069 12.575 ( 0.000 0.069 0.000) 0.069 13.076 ( 0.000 -0.252 0.000) 0.252 13.076 ( 0.000 0.252 0.000) 0.252 13.189 ( 0.000 -2.146 0.000) 2.146 13.189 ( 0.000 2.146 0.000) 2.146 13.391 ( 0.000 -2.793 0.000) 2.793 13.391 ( 0.000 2.793 0.000) 2.793 14.470 ( 0.000 -1.910 0.000) 1.910 14.470 ( 0.000 1.910 0.000) 1.910 14.797 ( 0.000 -0.839 0.000) 0.839 14.797 ( 0.000 0.839 0.000) 0.839 15.133 ( 0.000 -1.165 0.000) 1.165 15.133 ( 0.000 1.165 0.000) 1.165 15.309 ( 0.000 -1.515 0.000) 1.515 15.309 ( 0.000 1.515 0.000) 1.515 16.131 ( 0.000 -0.156 0.000) 0.156 16.131 ( 0.000 0.156 0.000) 0.156 16.200 ( 0.000 -0.579 0.000) 0.579 16.200 ( 0.000 0.579 0.000) 0.579 16.604 ( 0.000 -0.261 0.000) 0.261 16.604 ( 0.000 0.261 0.000) 0.261 16.847 ( 0.000 -2.997 0.000) 2.997 16.847 ( 0.000 2.997 0.000) 2.997 17.442 ( 0.000 -1.637 0.000) 1.637 17.442 ( 0.000 1.637 0.000) 1.637 17.590 ( 0.000 -0.731 0.000) 0.731 17.590 ( 0.000 0.731 0.000) 0.731 18.540 ( 0.000 -1.180 0.000) 1.180 18.540 ( 0.000 1.180 0.000) 1.180 18.626 ( 0.000 -0.531 0.000) 0.531 18.626 ( 0.000 0.531 0.000) 0.531 19.824 ( 0.000 -1.319 0.000) 1.319 19.824 ( 0.000 1.319 0.000) 1.319 20.032 ( 0.000 -1.274 0.000) 1.274 20.032 ( 0.000 1.274 0.000) 1.274 20.427 ( 0.000 -0.155 0.000) 0.155 20.427 ( 0.000 0.155 0.000) 0.155 20.635 ( 0.000 -0.032 0.000) 0.032 20.635 ( 0.000 0.032 0.000) 0.032 21.599 ( 0.000 -0.938 0.000) 0.938 21.599 ( 0.000 0.938 0.000) 0.938 21.657 ( 0.000 -0.449 0.000) 0.449 21.657 ( 0.000 0.449 0.000) 0.449 22.930 ( 0.000 -0.207 0.000) 0.207 22.930 ( 0.000 0.207 0.000) 0.207 22.962 ( 0.000 -0.023 0.000) 0.023 22.962 ( 0.000 0.023 0.000) 0.023 24.160 ( 0.000 -0.041 0.000) 0.041 24.160 ( 0.000 0.041 0.000) 0.041 24.162 ( 0.000 -0.078 0.000) 0.078 24.162 ( 0.000 0.078 0.000) 0.078 24.393 ( 0.000 -0.439 0.000) 0.439 24.393 ( 0.000 0.439 0.000) 0.439 24.451 ( 0.000 -0.661 0.000) 0.661 24.451 ( 0.000 0.661 0.000) 0.661 25.270 ( 0.000 -2.875 0.000) 2.875 25.270 ( 0.000 2.875 0.000) 2.875 25.510 ( 0.000 -0.692 0.000) 0.692 25.510 ( 0.000 0.692 0.000) 0.692 26.469 ( 0.000 -1.386 0.000) 1.386 26.469 ( 0.000 1.386 0.000) 1.386 26.653 ( 0.000 -0.063 0.000) 0.063 26.653 ( 0.000 0.063 0.000) 0.063 27.759 ( 0.000 -1.290 0.000) 1.290 27.759 ( 0.000 1.290 0.000) 1.290 27.907 ( 0.000 -1.345 0.000) 1.345 27.907 ( 0.000 1.345 0.000) 1.345 28.668 ( 0.000 -0.648 0.000) 0.648 28.668 ( 0.000 0.648 0.000) 0.648 29.242 ( 0.000 -1.761 0.000) 1.761 29.242 ( 0.000 1.761 0.000) 1.761 30.488 ( 0.000 -3.134 0.000) 3.134 30.488 ( 0.000 3.134 0.000) 3.134 30.805 ( 0.000 -3.194 0.000) 3.194 30.805 ( 0.000 3.194 0.000) 3.194 32.418 ( 0.000 -4.146 0.000) 4.146 32.418 ( 0.000 4.146 0.000) 4.146 32.594 ( 0.000 -3.519 0.000) 3.519 32.594 ( 0.000 3.519 0.000) 3.519 32.997 ( 0.000 -8.351 0.000) 8.351 32.997 ( 0.000 8.351 0.000) 8.351 34.888 ( 0.000 -1.102 0.000) 1.102 34.888 ( 0.000 1.102 0.000) 1.102 39.419 ( 0.000 -0.007 0.000) 0.007 39.419 ( 0.000 0.007 0.000) 0.007 39.546 ( 0.000 -0.008 0.000) 0.008 39.546 ( 0.000 0.008 0.000) 0.008 39.946 ( 0.000 -0.688 0.000) 0.688 39.946 ( 0.000 0.688 0.000) 0.688 40.111 ( 0.000 -0.863 0.000) 0.863 40.111 ( 0.000 0.863 0.000) 0.863 40.710 ( 0.000 -0.249 0.000) 0.249 40.710 ( 0.000 0.249 0.000) 0.249 40.925 ( 0.000 -0.271 0.000) 0.271 40.925 ( 0.000 0.271 0.000) 0.271 41.584 ( 0.000 -8.745 0.000) 8.745 41.584 ( 0.000 8.745 0.000) 8.745 42.618 ( 0.000 -12.612 0.000) 12.612 42.618 ( 0.000 12.612 0.000) 12.612 ======================= Grid point 16 (10/72) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 18.270 -22.368 0.000) 28.881 1.531 ( 18.270 22.368 0.000) 28.881 1.637 ( 31.260 -12.376 0.000) 33.620 1.637 ( 31.260 12.376 0.000) 33.620 2.582 ( 21.063 -34.918 0.000) 40.779 2.582 ( 21.063 34.918 0.000) 40.779 2.960 ( 9.815 -11.517 0.000) 15.132 2.960 ( 9.815 11.517 0.000) 15.132 3.139 ( 27.945 -16.402 0.000) 32.403 3.139 ( 27.945 16.402 0.000) 32.403 3.448 ( 3.905 -0.669 0.000) 3.961 3.448 ( 3.905 0.669 0.000) 3.961 3.686 ( -5.178 -0.179 0.000) 5.181 3.686 ( -5.178 0.179 0.000) 5.181 3.994 ( 8.794 -5.599 0.000) 10.425 3.994 ( 8.794 5.599 0.000) 10.425 4.213 ( 2.413 -2.064 0.000) 3.175 4.213 ( 2.413 2.064 0.000) 3.175 4.432 ( 1.098 -7.725 0.000) 7.803 4.432 ( 1.098 7.725 0.000) 7.803 5.207 ( -4.892 -5.331 0.000) 7.235 5.207 ( -4.892 5.331 0.000) 7.235 5.409 ( -28.251 -3.295 0.000) 28.443 5.409 ( -28.251 3.295 0.000) 28.443 5.796 ( -8.187 -2.563 0.000) 8.578 5.796 ( -8.187 2.563 0.000) 8.578 6.053 ( -30.690 -4.334 0.000) 30.994 6.053 ( -30.690 4.334 0.000) 30.994 6.345 ( -1.987 -19.929 0.000) 20.028 6.345 ( -1.987 19.929 0.000) 20.028 6.687 ( 3.147 -1.482 0.000) 3.478 6.687 ( 3.147 1.482 0.000) 3.478 6.893 ( 8.554 -0.779 0.000) 8.590 6.893 ( 8.554 0.779 0.000) 8.590 7.106 ( 13.290 -1.535 0.000) 13.378 7.106 ( 13.290 1.535 0.000) 13.378 7.243 ( -7.971 -4.996 0.000) 9.407 7.243 ( -7.971 4.996 0.000) 9.407 7.392 ( -4.407 -0.884 0.000) 4.495 7.392 ( -4.407 0.884 0.000) 4.495 7.763 ( -19.086 -5.730 0.000) 19.928 7.763 ( -19.086 5.730 0.000) 19.928 7.817 ( -6.774 -0.733 0.000) 6.814 7.817 ( -6.774 0.733 0.000) 6.814 8.305 ( -1.866 -2.093 0.000) 2.804 8.305 ( -1.866 2.093 0.000) 2.804 8.359 ( 1.606 -0.349 0.000) 1.644 8.359 ( 1.606 0.349 0.000) 1.644 8.694 ( 8.096 -6.840 0.000) 10.599 8.694 ( 8.096 6.840 0.000) 10.599 8.761 ( -2.117 -2.914 0.000) 3.602 8.761 ( -2.117 2.914 0.000) 3.602 8.869 ( 3.809 -4.188 0.000) 5.661 8.869 ( 3.809 4.188 0.000) 5.661 9.090 ( -2.047 -6.933 0.000) 7.229 9.090 ( -2.047 6.933 0.000) 7.229 9.247 ( 12.720 -0.503 0.000) 12.730 9.247 ( 12.720 0.503 0.000) 12.730 9.702 ( 8.034 -5.346 0.000) 9.650 9.702 ( 8.034 5.346 0.000) 9.650 9.875 ( 3.844 -0.923 0.000) 3.953 9.875 ( 3.844 0.923 0.000) 3.953 10.544 ( 8.015 -10.373 0.000) 13.109 10.544 ( 8.015 10.373 0.000) 13.109 11.956 ( -1.754 -0.580 0.000) 1.847 11.956 ( -1.754 0.580 0.000) 1.847 12.074 ( -0.706 -0.700 0.000) 0.994 12.074 ( -0.706 0.700 0.000) 0.994 12.507 ( -6.218 -0.159 0.000) 6.220 12.507 ( -6.218 0.159 0.000) 6.220 12.986 ( -8.334 -0.409 0.000) 8.344 12.986 ( -8.334 0.409 0.000) 8.344 13.054 ( -11.231 -1.085 0.000) 11.283 13.054 ( -11.231 1.085 0.000) 11.283 13.259 ( -7.843 -0.135 0.000) 7.844 13.259 ( -7.843 0.135 0.000) 7.844 14.471 ( 0.209 -0.904 0.000) 0.928 14.471 ( 0.209 0.904 0.000) 0.928 14.816 ( -0.979 -0.151 0.000) 0.990 14.816 ( -0.979 0.151 0.000) 0.990 15.160 ( 2.395 -1.185 0.000) 2.672 15.160 ( 2.395 1.185 0.000) 2.672 15.314 ( 0.375 -1.444 0.000) 1.492 15.314 ( 0.375 1.444 0.000) 1.492 16.149 ( 1.428 -0.252 0.000) 1.450 16.149 ( 1.428 0.252 0.000) 1.450 16.214 ( 0.940 -0.346 0.000) 1.002 16.214 ( 0.940 0.346 0.000) 1.002 16.652 ( 4.124 -0.596 0.000) 4.167 16.652 ( 4.124 0.596 0.000) 4.167 16.850 ( 0.205 -1.929 0.000) 1.940 16.850 ( 0.205 1.929 0.000) 1.940 17.472 ( 3.013 -1.743 0.000) 3.481 17.472 ( 3.013 1.743 0.000) 3.481 17.610 ( 1.968 -0.657 0.000) 2.075 17.610 ( 1.968 0.657 0.000) 2.075 18.559 ( 1.608 -1.043 0.000) 1.917 18.559 ( 1.608 1.043 0.000) 1.917 18.643 ( 1.387 -0.406 0.000) 1.446 18.643 ( 1.387 0.406 0.000) 1.446 19.843 ( 1.662 -1.570 0.000) 2.286 19.843 ( 1.662 1.570 0.000) 2.286 20.020 ( -1.116 -1.716 0.000) 2.047 20.020 ( -1.116 1.716 0.000) 2.047 20.307 ( -10.566 -2.523 0.000) 10.863 20.307 ( -10.566 2.523 0.000) 10.863 20.576 ( -1.370 -3.443 0.000) 3.706 20.576 ( -1.370 3.443 0.000) 3.706 21.603 ( -0.382 -0.205 0.000) 0.433 21.603 ( -0.382 0.205 0.000) 0.433 21.637 ( -1.632 -0.820 0.000) 1.826 21.637 ( -1.632 0.820 0.000) 1.826 22.930 ( 0.053 -0.256 0.000) 0.261 22.930 ( 0.053 0.256 0.000) 0.261 22.961 ( -0.032 -0.098 0.000) 0.103 22.961 ( -0.032 0.098 0.000) 0.103 24.159 ( -0.044 -0.036 0.000) 0.057 24.159 ( -0.044 0.036 0.000) 0.057 24.161 ( -0.064 -0.066 0.000) 0.092 24.161 ( -0.064 0.066 0.000) 0.092 24.428 ( 1.704 -0.668 0.000) 1.830 24.428 ( 1.704 0.668 0.000) 1.830 24.458 ( 0.649 -0.354 0.000) 0.740 24.458 ( 0.649 0.354 0.000) 0.740 25.395 ( 4.873 -6.357 0.000) 8.010 25.395 ( 4.873 6.357 0.000) 8.010 25.572 ( 6.461 -2.830 0.000) 7.053 25.572 ( 6.461 2.830 0.000) 7.053 26.576 ( 7.496 -3.650 0.000) 8.337 26.576 ( 7.496 3.650 0.000) 8.337 26.705 ( 6.213 -0.090 0.000) 6.213 26.705 ( 6.213 0.090 0.000) 6.213 27.767 ( 0.736 -1.142 0.000) 1.359 27.767 ( 0.736 1.142 0.000) 1.359 27.891 ( -1.418 -0.849 0.000) 1.652 27.891 ( -1.418 0.849 0.000) 1.652 28.658 ( -0.602 -1.046 0.000) 1.207 28.658 ( -0.602 1.046 0.000) 1.207 29.081 ( -12.182 -5.605 0.000) 13.409 29.081 ( -12.182 5.605 0.000) 13.409 30.595 ( 6.847 -6.611 0.000) 9.518 30.595 ( 6.847 6.611 0.000) 9.518 30.816 ( 1.031 -2.424 0.000) 2.634 30.816 ( 1.031 2.424 0.000) 2.634 32.389 ( 2.308 -8.598 0.000) 8.902 32.389 ( 2.308 8.598 0.000) 8.902 32.733 ( 5.061 -5.351 0.000) 7.365 32.733 ( 5.061 5.351 0.000) 7.365 33.188 ( 17.479 -1.480 0.000) 17.542 33.188 ( 17.479 1.480 0.000) 17.542 34.665 ( -17.551 -4.388 0.000) 18.091 34.665 ( -17.551 4.388 0.000) 18.091 39.423 ( 0.421 -0.018 0.000) 0.421 39.423 ( 0.421 0.018 0.000) 0.421 39.552 ( 0.518 -0.001 0.000) 0.518 39.552 ( 0.518 0.001 0.000) 0.518 40.034 ( 3.014 -3.955 0.000) 4.972 40.034 ( 3.014 3.955 0.000) 4.972 40.421 ( 26.529 -7.042 0.000) 27.448 40.421 ( 26.529 7.042 0.000) 27.448 40.706 ( -0.313 -0.317 0.000) 0.446 40.706 ( -0.313 0.317 0.000) 0.446 40.920 ( -0.450 -0.297 0.000) 0.539 40.920 ( -0.450 0.297 0.000) 0.539 41.595 ( 0.871 -11.491 0.000) 11.524 41.595 ( 0.871 11.491 0.000) 11.524 42.590 ( -2.474 -10.997 0.000) 11.271 42.590 ( -2.474 10.997 0.000) 11.271 ======================= Grid point 18 (11/72) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 9.112 -25.396 0.000) 26.981 1.792 ( 9.112 25.396 0.000) 26.981 2.376 ( 37.918 -14.138 0.000) 40.468 2.376 ( 37.918 14.138 0.000) 40.468 2.993 ( 1.952 -6.647 0.000) 6.928 2.993 ( 1.952 6.647 0.000) 6.928 3.125 ( 17.471 -7.956 0.000) 19.197 3.125 ( 17.471 7.956 0.000) 19.197 3.552 ( 6.516 -0.292 0.000) 6.522 3.552 ( 6.516 0.292 0.000) 6.522 3.685 ( 8.650 -2.059 0.000) 8.892 3.685 ( 8.650 2.059 0.000) 8.892 3.838 ( 30.042 -9.999 0.000) 31.662 3.838 ( 30.042 9.999 0.000) 31.662 4.215 ( 10.499 -6.332 0.000) 12.261 4.215 ( 10.499 6.332 0.000) 12.261 4.290 ( 4.432 -10.896 0.000) 11.763 4.290 ( 4.432 10.896 0.000) 11.763 4.409 ( -1.744 -3.117 0.000) 3.572 4.409 ( -1.744 3.117 0.000) 3.572 4.743 ( -25.614 -5.605 0.000) 26.220 4.743 ( -25.614 5.605 0.000) 26.220 5.166 ( -4.225 -3.415 0.000) 5.433 5.166 ( -4.225 3.415 0.000) 5.433 5.421 ( -30.560 -5.764 0.000) 31.099 5.421 ( -30.560 5.764 0.000) 31.099 5.631 ( -7.124 -0.378 0.000) 7.134 5.631 ( -7.124 0.378 0.000) 7.134 6.329 ( -3.641 -10.828 0.000) 11.423 6.329 ( -3.641 10.828 0.000) 11.423 6.703 ( -0.172 -0.450 0.000) 0.481 6.703 ( -0.172 0.450 0.000) 0.481 6.922 ( -10.630 -6.937 0.000) 12.693 6.922 ( -10.630 6.937 0.000) 12.693 7.080 ( -2.281 -0.621 0.000) 2.364 7.080 ( -2.281 0.621 0.000) 2.364 7.218 ( -4.918 -6.109 0.000) 7.843 7.218 ( -4.918 6.109 0.000) 7.843 7.307 ( 3.980 -2.331 0.000) 4.613 7.307 ( 3.980 2.331 0.000) 4.613 7.573 ( -2.198 -0.738 0.000) 2.319 7.573 ( -2.198 0.738 0.000) 2.319 7.776 ( 0.982 -2.561 0.000) 2.743 7.776 ( 0.982 2.561 0.000) 2.743 8.263 ( -1.802 -1.615 0.000) 2.420 8.263 ( -1.802 1.615 0.000) 2.420 8.333 ( -3.846 -2.590 0.000) 4.636 8.333 ( -3.846 2.590 0.000) 4.636 8.645 ( -5.156 -1.913 0.000) 5.499 8.645 ( -5.156 1.913 0.000) 5.499 8.861 ( 3.272 -3.082 0.000) 4.495 8.861 ( 3.272 3.082 0.000) 4.495 8.901 ( 4.144 -0.902 0.000) 4.241 8.901 ( 4.144 0.902 0.000) 4.241 8.999 ( -4.235 -1.244 0.000) 4.414 8.999 ( -4.235 1.244 0.000) 4.414 9.531 ( 11.003 -0.381 0.000) 11.009 9.531 ( 11.003 0.381 0.000) 11.009 9.901 ( 10.123 -3.411 0.000) 10.682 9.901 ( 10.123 3.411 0.000) 10.682 9.994 ( 5.742 -1.072 0.000) 5.842 9.994 ( 5.742 1.072 0.000) 5.842 10.649 ( 2.399 -6.028 0.000) 6.488 10.649 ( 2.399 6.028 0.000) 6.488 11.939 ( 0.461 -1.083 0.000) 1.177 11.939 ( 0.461 1.083 0.000) 1.177 12.051 ( -1.549 -0.873 0.000) 1.778 12.051 ( -1.549 0.873 0.000) 1.778 12.367 ( -6.475 -0.220 0.000) 6.479 12.367 ( -6.475 0.220 0.000) 6.479 12.793 ( -9.218 -0.476 0.000) 9.230 12.793 ( -9.218 0.476 0.000) 9.230 12.895 ( -3.398 -2.652 0.000) 4.311 12.895 ( -3.398 2.652 0.000) 4.311 13.104 ( -7.773 -1.745 0.000) 7.966 13.104 ( -7.773 1.745 0.000) 7.966 14.497 ( 2.817 -1.132 0.000) 3.036 14.497 ( 2.817 1.132 0.000) 3.036 14.730 ( -6.686 -3.418 0.000) 7.509 14.730 ( -6.686 3.418 0.000) 7.509 15.213 ( 2.541 -1.028 0.000) 2.741 15.213 ( 2.541 1.028 0.000) 2.741 15.316 ( -0.225 -1.143 0.000) 1.165 15.316 ( -0.225 1.143 0.000) 1.165 16.179 ( 1.434 -0.435 0.000) 1.498 16.179 ( 1.434 0.435 0.000) 1.498 16.224 ( 0.059 -0.263 0.000) 0.269 16.224 ( 0.059 0.263 0.000) 0.269 16.735 ( 3.560 -0.659 0.000) 3.620 16.735 ( 3.560 0.659 0.000) 3.620 16.848 ( -0.445 -0.488 0.000) 0.660 16.848 ( -0.445 0.488 0.000) 0.660 17.551 ( 4.240 -1.240 0.000) 4.418 17.551 ( 4.240 1.240 0.000) 4.418 17.656 ( 2.084 -0.309 0.000) 2.106 17.656 ( 2.084 0.309 0.000) 2.106 18.592 ( 1.357 -0.628 0.000) 1.496 18.592 ( 1.357 0.628 0.000) 1.496 18.670 ( 1.058 -0.292 0.000) 1.098 18.670 ( 1.058 0.292 0.000) 1.098 19.884 ( 2.423 -1.959 0.000) 3.116 19.884 ( 2.423 1.959 0.000) 3.116 19.990 ( -1.941 -2.802 0.000) 3.409 19.990 ( -1.941 2.802 0.000) 3.409 20.128 ( -6.128 -2.059 0.000) 6.465 20.128 ( -6.128 2.059 0.000) 6.465 20.578 ( 0.695 -1.732 0.000) 1.866 20.578 ( 0.695 1.732 0.000) 1.866 21.572 ( -2.089 -0.298 0.000) 2.110 21.572 ( -2.089 0.298 0.000) 2.110 21.615 ( -0.603 -0.614 0.000) 0.861 21.615 ( -0.603 0.614 0.000) 0.861 22.931 ( 0.049 -0.274 0.000) 0.278 22.931 ( 0.049 0.274 0.000) 0.278 22.961 ( 0.023 -0.170 0.000) 0.171 22.961 ( 0.023 0.170 0.000) 0.171 24.158 ( -0.045 -0.019 0.000) 0.049 24.158 ( -0.045 0.019 0.000) 0.049 24.160 ( -0.056 -0.037 0.000) 0.068 24.160 ( -0.056 0.037 0.000) 0.068 24.447 ( 0.520 -0.155 0.000) 0.543 24.447 ( 0.520 0.155 0.000) 0.543 24.470 ( 0.416 -0.031 0.000) 0.417 24.470 ( 0.416 0.031 0.000) 0.417 25.434 ( 0.654 -1.799 0.000) 1.914 25.434 ( 0.654 1.799 0.000) 1.914 25.667 ( 2.186 -4.053 0.000) 4.605 25.667 ( 2.186 4.053 0.000) 4.605 26.670 ( 2.671 -2.029 0.000) 3.354 26.670 ( 2.671 2.029 0.000) 3.354 26.876 ( 7.788 -3.419 0.000) 8.505 26.876 ( 7.788 3.419 0.000) 8.505 27.786 ( 1.041 -0.744 0.000) 1.280 27.786 ( 1.041 0.744 0.000) 1.280 27.859 ( -1.602 -0.351 0.000) 1.640 27.859 ( -1.602 0.351 0.000) 1.640 28.660 ( 1.031 -1.291 0.000) 1.653 28.660 ( 1.031 1.291 0.000) 1.653 28.858 ( -9.209 -3.715 0.000) 9.930 28.858 ( -9.209 3.715 0.000) 9.930 30.691 ( 2.760 -4.070 0.000) 4.918 30.691 ( 2.760 4.070 0.000) 4.918 30.837 ( 0.857 -0.840 0.000) 1.200 30.837 ( 0.857 0.840 0.000) 1.200 32.507 ( 8.013 -13.099 0.000) 15.355 32.507 ( 8.013 13.099 0.000) 15.355 32.762 ( -1.434 -12.298 0.000) 12.381 32.762 ( -1.434 12.298 0.000) 12.381 33.519 ( 12.857 -3.432 0.000) 13.308 33.519 ( 12.857 3.432 0.000) 13.308 34.341 ( -12.828 -3.022 0.000) 13.180 34.341 ( -12.828 3.022 0.000) 13.180 39.433 ( 0.456 -0.007 0.000) 0.456 39.433 ( 0.456 0.007 0.000) 0.456 39.563 ( 0.526 -0.006 0.000) 0.526 39.563 ( 0.526 0.006 0.000) 0.526 40.083 ( 1.931 -2.231 0.000) 2.951 40.083 ( 1.931 2.231 0.000) 2.951 40.690 ( -0.249 -0.213 0.000) 0.327 40.690 ( -0.249 0.213 0.000) 0.327 40.861 ( 12.853 -2.527 0.000) 13.099 40.861 ( 12.853 2.527 0.000) 13.099 40.915 ( 1.335 -0.878 0.000) 1.598 40.915 ( 1.335 0.878 0.000) 1.598 41.607 ( 0.153 -12.135 0.000) 12.136 41.607 ( 0.153 12.135 0.000) 12.136 42.537 ( -2.355 -6.476 0.000) 6.891 42.537 ( -2.355 6.476 0.000) 6.891 ======================= Grid point 20 (12/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 2.908 ( -0.000 -0.000 0.000) 0.000 2.908 ( -0.000 0.000 0.000) 0.000 2.924 ( 0.000 -0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.869 ( -0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 -0.000 0.000) 0.000 4.470 ( 0.000 -0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 -0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 -0.000 0.000) 0.000 6.820 ( 0.000 -0.000 0.000) 0.000 7.038 ( -0.000 -0.000 0.000) 0.000 7.038 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 -0.000 0.000) 0.000 7.205 ( 0.000 -0.000 0.000) 0.000 7.335 ( 0.000 -0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 -0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.271 ( 0.000 0.000 0.000) 0.000 8.271 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 8.937 ( -0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.642 ( 0.000 0.000 0.000) 0.000 9.642 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.051 ( 0.000 0.000 0.000) 0.000 10.051 ( 0.000 0.000 0.000) 0.000 10.666 ( 0.000 0.000 0.000) 0.000 10.666 ( 0.000 0.000 0.000) 0.000 11.956 ( 0.000 0.000 0.000) 0.000 11.956 ( 0.000 0.000 0.000) 0.000 12.027 ( -0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 -0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 12.888 ( -0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 12.997 ( 0.000 0.000 0.000) 0.000 12.997 ( 0.000 0.000 0.000) 0.000 14.583 ( -0.000 0.000 0.000) 0.000 14.583 ( 0.000 0.000 0.000) 0.000 14.599 ( -0.000 -0.000 0.000) 0.000 14.599 ( 0.000 -0.000 0.000) 0.000 15.244 ( -0.000 0.000 0.000) 0.000 15.244 ( 0.000 0.000 0.000) 0.000 15.310 ( -0.000 0.000 0.000) 0.000 15.310 ( 0.000 0.000 0.000) 0.000 16.197 ( 0.000 0.000 0.000) 0.000 16.197 ( 0.000 0.000 0.000) 0.000 16.222 ( 0.000 0.000 0.000) 0.000 16.222 ( 0.000 0.000 0.000) 0.000 16.775 ( 0.000 0.000 0.000) 0.000 16.775 ( 0.000 0.000 0.000) 0.000 16.839 ( 0.000 0.000 0.000) 0.000 16.839 ( 0.000 0.000 0.000) 0.000 17.604 ( 0.000 0.000 0.000) 0.000 17.604 ( 0.000 0.000 0.000) 0.000 17.676 ( 0.000 0.000 0.000) 0.000 17.676 ( 0.000 0.000 0.000) 0.000 18.606 ( 0.000 0.000 0.000) 0.000 18.606 ( 0.000 0.000 0.000) 0.000 18.680 ( 0.000 0.000 0.000) 0.000 18.680 ( 0.000 0.000 0.000) 0.000 19.933 ( 0.000 -0.000 0.000) 0.000 19.933 ( 0.000 0.000 0.000) 0.000 19.945 ( -0.000 -0.000 0.000) 0.000 19.945 ( -0.000 0.000 0.000) 0.000 20.069 ( 0.000 0.000 0.000) 0.000 20.069 ( 0.000 0.000 0.000) 0.000 20.587 ( 0.000 0.000 0.000) 0.000 20.587 ( 0.000 0.000 0.000) 0.000 21.547 ( 0.000 0.000 0.000) 0.000 21.547 ( 0.000 0.000 0.000) 0.000 21.609 ( 0.000 -0.000 0.000) 0.000 21.609 ( 0.000 0.000 0.000) 0.000 22.932 ( 0.000 0.000 0.000) 0.000 22.932 ( 0.000 0.000 0.000) 0.000 22.962 ( 0.000 0.000 0.000) 0.000 22.962 ( 0.000 0.000 0.000) 0.000 24.158 ( 0.000 0.000 0.000) 0.000 24.158 ( 0.000 0.000 0.000) 0.000 24.159 ( 0.000 0.000 0.000) 0.000 24.159 ( 0.000 0.000 0.000) 0.000 24.452 ( 0.000 0.000 0.000) 0.000 24.452 ( 0.000 0.000 0.000) 0.000 24.474 ( 0.000 0.000 0.000) 0.000 24.474 ( 0.000 0.000 0.000) 0.000 25.440 ( 0.000 0.000 0.000) 0.000 25.440 ( 0.000 0.000 0.000) 0.000 25.683 ( 0.000 -0.000 0.000) 0.000 25.683 ( 0.000 0.000 0.000) 0.000 26.697 ( 0.000 0.000 0.000) 0.000 26.697 ( 0.000 0.000 0.000) 0.000 26.957 ( 0.000 -0.000 0.000) 0.000 26.957 ( 0.000 0.000 0.000) 0.000 27.801 ( 0.000 0.000 0.000) 0.000 27.801 ( 0.000 0.000 0.000) 0.000 27.838 ( 0.000 0.000 0.000) 0.000 27.838 ( 0.000 -0.000 0.000) 0.000 28.691 ( -0.000 0.000 0.000) 0.000 28.691 ( 0.000 0.000 0.000) 0.000 28.742 ( 0.000 0.000 0.000) 0.000 28.742 ( -0.000 0.000 0.000) 0.000 30.717 ( 0.000 0.000 0.000) 0.000 30.717 ( 0.000 0.000 0.000) 0.000 30.846 ( 0.000 0.000 0.000) 0.000 30.846 ( 0.000 0.000 0.000) 0.000 32.637 ( -0.000 -0.000 0.000) 0.000 32.637 ( 0.000 0.000 0.000) 0.000 32.706 ( 0.000 -0.000 0.000) 0.000 32.706 ( 0.000 0.000 0.000) 0.000 33.655 ( 0.000 0.000 0.000) 0.000 33.655 ( 0.000 0.000 0.000) 0.000 34.203 ( 0.000 0.000 0.000) 0.000 34.203 ( 0.000 0.000 0.000) 0.000 39.438 ( 0.000 0.000 0.000) 0.000 39.438 ( 0.000 0.000 0.000) 0.000 39.569 ( 0.000 0.000 0.000) 0.000 39.569 ( 0.000 0.000 0.000) 0.000 40.104 ( 0.000 0.000 0.000) 0.000 40.104 ( 0.000 0.000 0.000) 0.000 40.686 ( 0.000 0.000 0.000) 0.000 40.686 ( 0.000 0.000 0.000) 0.000 40.901 ( 0.000 0.000 0.000) 0.000 40.901 ( 0.000 0.000 0.000) 0.000 41.016 ( 0.000 0.000 0.000) 0.000 41.016 ( 0.000 0.000 0.000) 0.000 41.605 ( 0.000 0.000 0.000) 0.000 41.605 ( 0.000 0.000 0.000) 0.000 42.512 ( 0.000 0.000 0.000) 0.000 42.512 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.000 0.000 36.747) 36.747 1.044 ( 0.000 0.000 51.402) 51.402 1.969 ( 0.000 0.000 93.568) 93.568 2.421 ( 0.000 0.000 20.149) 20.149 2.523 ( 0.000 0.000 4.405) 4.405 2.681 ( 0.000 0.000 40.151) 40.151 2.795 ( 0.000 0.000 3.142) 3.142 3.078 ( 0.000 0.000 42.959) 42.959 3.403 ( 0.000 0.000 3.721) 3.721 3.428 ( 0.000 0.000 22.122) 22.122 3.711 ( 0.000 0.000 7.214) 7.214 3.780 ( 0.000 0.000 3.627) 3.627 3.845 ( 0.000 0.000 7.535) 7.535 3.998 ( 0.000 0.000 18.808) 18.808 4.140 ( 0.000 0.000 11.448) 11.448 4.149 ( 0.000 0.000 7.470) 7.470 4.154 ( 0.000 0.000 7.703) 7.703 4.274 ( 0.000 0.000 0.981) 0.981 4.461 ( 0.000 0.000 19.923) 19.923 4.608 ( 0.000 0.000 10.086) 10.086 5.124 ( 0.000 0.000 3.566) 3.566 5.337 ( 0.000 0.000 13.123) 13.123 5.472 ( 0.000 0.000 3.457) 3.457 5.594 ( 0.000 0.000 -7.055) 7.055 5.768 ( 0.000 0.000 -2.901) 2.901 5.812 ( 0.000 0.000 -2.888) 2.888 5.893 ( 0.000 0.000 -3.081) 3.081 6.201 ( 0.000 0.000 -1.501) 1.501 6.424 ( 0.000 0.000 -10.417) 10.417 6.474 ( 0.000 0.000 -8.537) 8.537 6.518 ( 0.000 0.000 2.026) 2.026 6.676 ( 0.000 0.000 1.497) 1.497 6.683 ( 0.000 0.000 -3.577) 3.577 6.853 ( 0.000 0.000 -5.345) 5.345 6.855 ( 0.000 0.000 4.587) 4.587 7.115 ( 0.000 0.000 -5.095) 5.095 7.301 ( 0.000 0.000 -14.824) 14.824 7.465 ( 0.000 0.000 -6.383) 6.383 7.664 ( 0.000 0.000 -15.611) 15.611 7.714 ( 0.000 0.000 12.716) 12.716 7.915 ( 0.000 0.000 -17.237) 17.237 7.951 ( 0.000 0.000 4.797) 4.797 8.069 ( 0.000 0.000 -0.876) 0.876 8.316 ( 0.000 0.000 0.911) 0.911 8.323 ( 0.000 0.000 13.713) 13.713 8.361 ( 0.000 0.000 3.769) 3.769 8.390 ( 0.000 0.000 2.724) 2.724 8.530 ( 0.000 0.000 20.773) 20.773 8.689 ( 0.000 0.000 14.184) 14.184 8.785 ( 0.000 0.000 7.407) 7.407 8.908 ( 0.000 0.000 7.050) 7.050 8.912 ( 0.000 0.000 12.184) 12.184 8.984 ( 0.000 0.000 1.037) 1.037 8.989 ( 0.000 0.000 3.359) 3.359 9.050 ( 0.000 0.000 26.158) 26.158 9.170 ( 0.000 0.000 18.777) 18.777 9.184 ( 0.000 0.000 -9.854) 9.854 9.313 ( 0.000 0.000 1.115) 1.115 9.378 ( 0.000 0.000 13.762) 13.762 9.670 ( 0.000 0.000 1.001) 1.001 9.826 ( 0.000 0.000 -1.950) 1.950 9.845 ( 0.000 0.000 10.990) 10.990 9.889 ( 0.000 0.000 1.476) 1.476 10.191 ( 0.000 0.000 -5.065) 5.065 11.906 ( 0.000 0.000 -0.616) 0.616 11.909 ( 0.000 0.000 -5.621) 5.621 12.108 ( 0.000 0.000 5.197) 5.197 12.151 ( 0.000 0.000 3.107) 3.107 12.593 ( 0.000 0.000 3.046) 3.046 12.655 ( 0.000 0.000 6.058) 6.058 12.776 ( 0.000 0.000 -8.561) 8.561 13.001 ( 0.000 0.000 -12.658) 12.658 13.057 ( 0.000 0.000 -0.379) 0.379 13.115 ( 0.000 0.000 2.131) 2.131 13.153 ( 0.000 0.000 -8.505) 8.505 13.204 ( 0.000 0.000 -10.740) 10.740 14.399 ( 0.000 0.000 -3.674) 3.674 14.500 ( 0.000 0.000 -2.754) 2.754 14.721 ( 0.000 0.000 -4.523) 4.523 14.783 ( 0.000 0.000 -2.608) 2.608 15.324 ( 0.000 0.000 20.809) 20.809 15.367 ( 0.000 0.000 19.427) 19.427 15.468 ( 0.000 0.000 19.768) 19.768 15.524 ( 0.000 0.000 18.111) 18.111 15.971 ( 0.000 0.000 -13.671) 13.671 15.982 ( 0.000 0.000 -13.663) 13.663 16.057 ( 0.000 0.000 -11.721) 11.721 16.079 ( 0.000 0.000 -12.074) 12.074 16.413 ( 0.000 0.000 -14.361) 14.361 16.470 ( 0.000 0.000 -11.391) 11.391 16.552 ( 0.000 0.000 -15.991) 15.991 16.774 ( 0.000 0.000 -11.875) 11.875 17.736 ( 0.000 0.000 26.275) 26.275 17.799 ( 0.000 0.000 20.897) 20.897 17.860 ( 0.000 0.000 22.700) 22.700 17.978 ( 0.000 0.000 26.313) 26.313 18.590 ( 0.000 0.000 5.189) 5.189 18.649 ( 0.000 0.000 5.737) 5.737 18.663 ( 0.000 0.000 5.152) 5.152 18.713 ( 0.000 0.000 6.894) 6.894 19.786 ( 0.000 0.000 0.359) 0.359 19.944 ( 0.000 0.000 6.160) 6.160 19.959 ( 0.000 0.000 -1.052) 1.052 19.964 ( 0.000 0.000 0.444) 0.444 20.157 ( 0.000 0.000 6.692) 6.692 20.326 ( 0.000 0.000 -7.757) 7.757 20.405 ( 0.000 0.000 -1.748) 1.748 20.573 ( 0.000 0.000 -5.671) 5.671 21.649 ( 0.000 0.000 7.313) 7.313 21.690 ( 0.000 0.000 7.417) 7.417 21.731 ( 0.000 0.000 6.510) 6.510 21.733 ( 0.000 0.000 8.111) 8.111 22.787 ( 0.000 0.000 -10.576) 10.576 22.789 ( 0.000 0.000 -11.238) 11.238 22.838 ( 0.000 0.000 -8.719) 8.719 22.909 ( 0.000 0.000 -5.265) 5.265 24.132 ( 0.000 0.000 -25.835) 25.835 24.150 ( 0.000 0.000 -25.745) 25.745 24.186 ( 0.000 0.000 -24.638) 24.638 24.197 ( 0.000 0.000 -26.329) 26.329 24.534 ( 0.000 0.000 33.347) 33.347 24.589 ( 0.000 0.000 37.976) 37.976 24.806 ( 0.000 0.000 52.723) 52.723 25.095 ( 0.000 0.000 -8.244) 8.244 25.157 ( 0.000 0.000 -13.586) 13.586 25.319 ( 0.000 0.000 -13.825) 13.825 25.320 ( 0.000 0.000 -11.373) 11.373 26.684 ( 0.000 0.000 18.650) 18.650 26.686 ( 0.000 0.000 14.174) 14.174 26.816 ( 0.000 0.000 13.580) 13.580 26.870 ( 0.000 0.000 16.873) 16.873 27.150 ( 0.000 0.000 3.515) 3.515 27.672 ( 0.000 0.000 -7.178) 7.178 27.688 ( 0.000 0.000 -9.219) 9.219 27.838 ( 0.000 0.000 -5.254) 5.254 28.265 ( 0.000 0.000 -19.866) 19.866 28.710 ( 0.000 0.000 0.958) 0.958 28.729 ( 0.000 0.000 6.447) 6.447 29.037 ( 0.000 0.000 11.955) 11.955 29.221 ( 0.000 0.000 -1.464) 1.464 30.441 ( 0.000 0.000 1.142) 1.142 30.579 ( 0.000 0.000 -1.937) 1.937 30.664 ( 0.000 0.000 -2.150) 2.150 30.791 ( 0.000 0.000 -6.613) 6.613 32.263 ( 0.000 0.000 -7.555) 7.555 32.409 ( 0.000 0.000 -10.066) 10.066 32.506 ( 0.000 0.000 -6.859) 6.859 32.580 ( 0.000 0.000 -9.279) 9.279 32.663 ( 0.000 0.000 -8.251) 8.251 33.073 ( 0.000 0.000 -10.096) 10.096 33.496 ( 0.000 0.000 -13.820) 13.820 34.576 ( 0.000 0.000 -30.934) 30.934 39.581 ( 0.000 0.000 3.483) 3.483 39.611 ( 0.000 0.000 5.110) 5.110 39.718 ( 0.000 0.000 26.241) 26.241 39.913 ( 0.000 0.000 -4.037) 4.037 39.932 ( 0.000 0.000 0.771) 0.771 40.062 ( 0.000 0.000 -3.243) 3.243 40.138 ( 0.000 0.000 0.609) 0.609 40.753 ( 0.000 0.000 7.749) 7.749 40.909 ( 0.000 0.000 15.023) 15.023 40.919 ( 0.000 0.000 1.475) 1.475 40.940 ( 0.000 0.000 4.804) 4.804 41.094 ( 0.000 0.000 12.747) 12.747 41.473 ( 0.000 0.000 5.255) 5.255 41.752 ( 0.000 0.000 -14.842) 14.842 42.351 ( 0.000 0.000 5.773) 5.773 42.681 ( 0.000 0.000 -17.810) 17.810 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 26.758 0.000 26.974) 37.995 1.446 ( 35.696 0.000 31.160) 47.383 2.476 ( 38.836 0.000 62.612) 73.678 2.477 ( 10.172 0.000 13.866) 17.197 2.692 ( 16.229 0.000 4.319) 16.794 2.939 ( 16.619 0.000 34.256) 38.074 2.941 ( 17.201 0.000 11.168) 20.509 3.251 ( 15.926 0.000 31.778) 35.545 3.417 ( 1.579 0.000 16.382) 16.458 3.459 ( 3.827 0.000 3.150) 4.957 3.605 ( -9.741 0.000 8.884) 13.184 3.672 ( -3.532 0.000 6.975) 7.818 3.761 ( -0.701 0.000 3.706) 3.772 3.845 ( -24.726 0.000 6.842) 25.655 4.023 ( 0.531 0.000 13.364) 13.375 4.203 ( 4.072 0.000 4.478) 6.052 4.260 ( -1.325 0.000 1.410) 1.935 4.321 ( 8.900 0.000 10.311) 13.621 4.434 ( -3.463 0.000 17.714) 18.049 4.654 ( 5.155 0.000 21.167) 21.785 5.139 ( 4.950 0.000 6.846) 8.448 5.378 ( -19.533 0.000 5.927) 20.413 5.432 ( -3.126 0.000 3.057) 4.373 5.594 ( 16.782 0.000 11.766) 20.496 5.648 ( -17.768 0.000 1.767) 17.856 5.767 ( -0.997 0.000 -5.473) 5.563 5.824 ( -1.744 0.000 -0.881) 1.954 5.939 ( -28.800 0.000 1.012) 28.818 6.164 ( -19.525 0.000 0.079) 19.526 6.296 ( 6.660 0.000 -0.508) 6.679 6.620 ( 3.328 0.000 0.158) 3.331 6.760 ( 3.532 0.000 0.752) 3.612 6.924 ( 7.523 0.000 2.942) 8.078 7.024 ( 16.873 0.000 -4.312) 17.415 7.067 ( -4.616 0.000 -5.102) 6.881 7.090 ( 14.644 0.000 -6.843) 16.164 7.314 ( 1.138 0.000 -12.692) 12.743 7.315 ( -26.210 0.000 25.676) 36.691 7.454 ( -1.050 0.000 -6.874) 6.953 7.508 ( -19.463 0.000 -0.148) 19.463 7.668 ( -4.047 0.000 9.958) 10.749 7.769 ( -21.080 0.000 7.127) 22.253 7.860 ( -8.447 0.000 6.423) 10.612 8.025 ( -9.340 0.000 3.019) 9.816 8.231 ( -4.484 0.000 -2.909) 5.345 8.260 ( -5.531 0.000 -0.693) 5.574 8.384 ( -0.229 0.000 1.237) 1.258 8.387 ( -2.609 0.000 1.639) 3.081 8.751 ( 4.967 0.000 10.888) 11.967 8.787 ( -9.419 0.000 2.212) 9.675 8.816 ( -9.574 0.000 0.532) 9.588 8.821 ( 3.751 0.000 8.798) 9.564 8.875 ( 8.693 0.000 10.502) 13.633 9.081 ( 6.011 0.000 17.125) 18.150 9.110 ( -4.278 0.000 16.519) 17.064 9.282 ( -8.239 0.000 13.998) 16.242 9.400 ( 12.335 0.000 3.456) 12.810 9.441 ( 17.421 0.000 -4.534) 18.002 9.620 ( 6.620 0.000 12.648) 14.275 9.796 ( 10.862 0.000 0.750) 10.888 9.926 ( 6.176 0.000 -0.664) 6.211 9.998 ( 11.894 0.000 9.935) 15.497 10.236 ( 4.148 0.000 -4.464) 6.094 10.409 ( 21.497 0.000 -32.132) 38.660 11.913 ( 0.648 0.000 -5.463) 5.501 11.919 ( 1.286 0.000 0.626) 1.430 12.094 ( -1.360 0.000 4.969) 5.151 12.109 ( -2.987 0.000 2.551) 3.928 12.540 ( -4.799 0.000 3.981) 6.235 12.587 ( -6.114 0.000 6.158) 8.678 12.753 ( -1.862 0.000 -8.674) 8.872 12.932 ( -5.418 0.000 -11.271) 12.506 12.983 ( -7.001 0.000 0.768) 7.043 13.023 ( -8.325 0.000 1.432) 8.447 13.114 ( -3.183 0.000 -9.094) 9.635 13.133 ( -6.792 0.000 -8.569) 10.934 14.430 ( 2.050 0.000 -4.113) 4.596 14.477 ( -2.061 0.000 -3.063) 3.692 14.706 ( -6.841 0.000 -2.679) 7.347 14.744 ( 1.084 0.000 -5.017) 5.133 15.344 ( 1.812 0.000 20.153) 20.234 15.391 ( 2.169 0.000 18.895) 19.019 15.463 ( -0.449 0.000 18.902) 18.908 15.523 ( -0.205 0.000 17.631) 17.632 15.992 ( 1.733 0.000 -14.199) 14.305 15.995 ( 1.180 0.000 -13.424) 13.475 16.063 ( 0.420 0.000 -12.754) 12.761 16.073 ( -0.413 0.000 -12.362) 12.369 16.459 ( 4.145 0.000 -13.832) 14.440 16.525 ( 4.520 0.000 -11.379) 12.244 16.584 ( 2.882 0.000 -15.789) 16.050 16.762 ( -1.015 0.000 -10.573) 10.622 17.739 ( 0.623 0.000 24.721) 24.729 17.813 ( 1.445 0.000 20.760) 20.810 17.871 ( -4.369 0.000 27.395) 27.741 17.871 ( 1.095 0.000 22.282) 22.309 18.635 ( 2.854 0.000 5.687) 6.363 18.667 ( 1.498 0.000 6.043) 6.226 18.682 ( 1.752 0.000 5.081) 5.375 18.723 ( 0.833 0.000 6.682) 6.733 19.799 ( 1.279 0.000 0.316) 1.317 19.932 ( -0.963 0.000 3.659) 3.784 19.973 ( 0.714 0.000 2.609) 2.705 20.001 ( 2.127 0.000 -2.781) 3.501 20.147 ( -1.385 0.000 5.091) 5.276 20.267 ( -5.275 0.000 -5.562) 7.666 20.430 ( 2.546 0.000 -2.294) 3.427 20.569 ( -0.434 0.000 -5.478) 5.495 21.667 ( 0.938 0.000 6.470) 6.537 21.672 ( -1.633 0.000 7.637) 7.810 21.707 ( -2.336 0.000 8.259) 8.583 21.723 ( -0.783 0.000 6.501) 6.548 22.789 ( 0.283 0.000 -10.341) 10.345 22.795 ( 0.573 0.000 -11.043) 11.058 22.837 ( -0.053 0.000 -9.007) 9.007 22.882 ( -1.907 0.000 -5.666) 5.978 24.152 ( 0.181 0.000 -25.759) 25.760 24.153 ( 1.658 0.000 -25.187) 25.241 24.184 ( -0.234 0.000 -24.946) 24.947 24.200 ( 0.286 0.000 -26.179) 26.181 24.538 ( 0.456 0.000 33.093) 33.096 24.595 ( 0.581 0.000 37.981) 37.985 24.731 ( -5.383 0.000 43.840) 44.170 24.986 ( -14.023 0.000 17.446) 22.383 25.160 ( 4.382 0.000 -3.883) 5.855 25.305 ( -1.368 0.000 -10.919) 11.005 25.351 ( 2.964 0.000 -14.207) 14.513 25.972 ( -28.979 0.000 25.061) 38.312 26.726 ( 3.653 0.000 14.646) 15.095 26.833 ( 1.534 0.000 13.784) 13.869 26.921 ( 6.491 0.000 16.773) 17.985 27.366 ( 5.403 0.000 8.680) 10.225 27.681 ( 1.095 0.000 -6.625) 6.715 27.707 ( 1.792 0.000 -8.204) 8.397 27.843 ( 0.253 0.000 -4.492) 4.499 28.026 ( -12.882 0.000 3.870) 13.451 28.700 ( -8.632 0.000 14.294) 16.698 28.709 ( -1.408 0.000 4.360) 4.581 28.710 ( -0.203 0.000 0.501) 0.541 29.073 ( -9.267 0.000 -7.948) 12.208 30.478 ( 3.321 0.000 0.392) 3.344 30.660 ( -0.407 0.000 -2.347) 2.382 30.782 ( 3.069 0.000 -10.400) 10.843 30.806 ( 2.111 0.000 -8.228) 8.494 32.173 ( -1.795 0.000 -7.170) 7.391 32.491 ( -1.565 0.000 -6.919) 7.093 32.641 ( 8.063 0.000 -11.707) 14.214 32.700 ( 20.061 0.000 -11.112) 22.933 33.103 ( 2.658 0.000 -10.801) 11.123 33.482 ( -1.400 0.000 -13.689) 13.760 33.486 ( 34.989 0.000 -41.579) 54.342 34.437 ( -12.432 0.000 -27.126) 29.839 39.585 ( 0.442 0.000 3.398) 3.427 39.611 ( 0.026 0.000 4.841) 4.841 39.640 ( -4.090 0.000 18.074) 18.531 39.739 ( -9.123 0.000 14.535) 17.161 39.958 ( 2.428 0.000 0.218) 2.438 40.135 ( -0.372 0.000 -0.002) 0.372 40.328 ( 21.382 0.000 0.992) 21.405 40.704 ( -1.588 0.000 3.052) 3.440 40.857 ( -1.748 0.000 12.705) 12.824 40.918 ( 0.279 0.000 3.076) 3.089 40.973 ( 2.660 0.000 3.721) 4.574 41.085 ( -0.553 0.000 12.622) 12.634 41.444 ( -2.892 0.000 5.725) 6.414 41.787 ( -3.311 0.000 -9.726) 10.274 42.506 ( 7.331 0.000 -10.263) 12.613 42.661 ( -1.828 0.000 -16.636) 16.736 ======================= Grid point 37 (15/72) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 34.622 0.000 19.392) 39.683 2.281 ( 44.341 0.000 12.581) 46.091 2.797 ( 10.863 0.000 10.807) 15.323 3.026 ( -7.604 0.000 9.670) 12.301 3.039 ( 17.935 0.000 6.913) 19.221 3.079 ( 18.164 0.000 2.796) 18.378 3.376 ( -1.209 0.000 6.302) 6.417 3.490 ( 2.739 0.000 1.623) 3.183 3.492 ( 13.237 0.000 9.667) 16.391 3.517 ( 3.682 0.000 19.201) 19.551 3.537 ( 4.006 0.000 0.535) 4.041 3.654 ( 14.323 0.000 7.431) 16.136 3.750 ( 6.336 0.000 5.250) 8.229 3.884 ( 24.383 0.000 29.749) 38.464 3.965 ( -8.972 0.000 -2.056) 9.205 4.158 ( -13.289 0.000 -1.583) 13.383 4.168 ( -7.570 0.000 1.548) 7.726 4.191 ( -23.089 0.000 6.626) 24.020 4.398 ( 10.545 0.000 14.762) 18.142 4.874 ( 10.975 0.000 34.084) 35.807 5.192 ( -17.530 0.000 20.150) 26.708 5.195 ( -6.142 0.000 5.414) 8.187 5.232 ( -15.454 0.000 2.095) 15.595 5.243 ( 6.301 0.000 23.172) 24.014 5.533 ( -5.544 0.000 12.036) 13.251 5.676 ( -6.238 0.000 0.102) 6.238 5.684 ( -11.329 0.000 7.603) 13.643 5.832 ( -2.866 0.000 6.907) 7.478 6.079 ( 16.296 0.000 20.543) 26.221 6.458 ( 6.862 0.000 7.092) 9.868 6.621 ( -6.722 0.000 1.380) 6.862 6.694 ( -5.893 0.000 11.834) 13.220 6.912 ( -10.017 0.000 -2.500) 10.324 7.000 ( -8.207 0.000 4.091) 9.170 7.097 ( -1.164 0.000 4.540) 4.687 7.149 ( -2.570 0.000 3.066) 4.001 7.230 ( 2.626 0.000 -1.345) 2.950 7.277 ( -0.046 0.000 0.570) 0.572 7.324 ( 0.803 0.000 -11.175) 11.204 7.425 ( -1.747 0.000 -8.693) 8.867 7.576 ( -1.933 0.000 -1.362) 2.365 7.603 ( 0.555 0.000 2.572) 2.631 7.719 ( -2.335 0.000 8.548) 8.862 7.799 ( -11.429 0.000 1.853) 11.578 8.142 ( -4.364 0.000 -6.659) 7.962 8.203 ( 0.463 0.000 -5.228) 5.248 8.317 ( -4.048 0.000 0.375) 4.065 8.349 ( -5.375 0.000 -3.331) 6.323 8.611 ( -6.242 0.000 2.043) 6.568 8.664 ( -5.356 0.000 0.697) 5.401 8.840 ( 3.107 0.000 -1.095) 3.295 8.922 ( 0.536 0.000 3.919) 3.955 8.973 ( 9.425 0.000 15.645) 18.264 9.034 ( -2.836 0.000 13.308) 13.606 9.107 ( -7.614 0.000 13.949) 15.892 9.191 ( 3.577 0.000 15.692) 16.094 9.644 ( 8.131 0.000 7.527) 11.080 9.697 ( 1.984 0.000 10.644) 10.828 9.798 ( 17.056 0.000 -1.346) 17.109 10.026 ( 9.603 0.000 1.837) 9.777 10.102 ( 10.721 0.000 -3.619) 11.316 10.206 ( 7.586 0.000 2.473) 7.979 10.324 ( 3.382 0.000 -3.327) 4.744 10.495 ( -6.132 0.000 -16.220) 17.340 11.942 ( 2.278 0.000 -4.244) 4.817 11.958 ( 2.513 0.000 3.295) 4.144 12.053 ( -2.727 0.000 -0.403) 2.757 12.058 ( -2.118 0.000 4.643) 5.103 12.435 ( -4.766 0.000 6.577) 8.122 12.453 ( -6.106 0.000 7.243) 9.474 12.726 ( -0.408 0.000 -8.538) 8.548 12.818 ( -7.791 0.000 1.826) 8.002 12.839 ( -8.254 0.000 2.849) 8.732 12.853 ( -1.143 0.000 -9.746) 9.813 12.962 ( -9.212 0.000 -5.992) 10.990 13.025 ( -5.855 0.000 -9.470) 11.134 14.439 ( -1.123 0.000 -3.475) 3.652 14.489 ( 4.417 0.000 -4.133) 6.049 14.557 ( -7.005 0.000 -3.066) 7.647 14.720 ( -3.846 0.000 -5.389) 6.621 15.386 ( 2.228 0.000 18.810) 18.941 15.441 ( 2.478 0.000 17.841) 18.012 15.450 ( -0.863 0.000 17.710) 17.731 15.512 ( -0.941 0.000 16.979) 17.005 16.024 ( 1.578 0.000 -12.921) 13.017 16.029 ( 1.837 0.000 -14.198) 14.316 16.065 ( -0.405 0.000 -12.485) 12.492 16.068 ( 0.007 0.000 -13.884) 13.884 16.552 ( 4.467 0.000 -12.819) 13.575 16.605 ( 2.673 0.000 -11.427) 11.736 16.647 ( 3.000 0.000 -14.078) 14.394 16.737 ( -1.549 0.000 -10.062) 10.181 17.773 ( 2.694 0.000 21.289) 21.459 17.842 ( -0.002 0.000 21.352) 21.352 17.855 ( 2.429 0.000 20.309) 20.453 17.896 ( 0.948 0.000 21.113) 21.135 18.684 ( 1.968 0.000 6.850) 7.127 18.697 ( 1.223 0.000 6.755) 6.864 18.720 ( 1.686 0.000 5.050) 5.324 18.739 ( 0.616 0.000 6.252) 6.283 19.834 ( 2.072 0.000 0.279) 2.090 19.909 ( -1.376 0.000 1.673) 2.166 19.995 ( 1.595 0.000 3.376) 3.734 20.031 ( 1.243 0.000 -0.449) 1.322 20.106 ( -2.392 0.000 3.718) 4.421 20.147 ( -6.004 0.000 -1.456) 6.178 20.489 ( 2.888 0.000 -3.605) 4.619 20.557 ( -0.746 0.000 -5.034) 5.089 21.636 ( -1.613 0.000 8.176) 8.333 21.654 ( -2.530 0.000 8.534) 8.901 21.677 ( 0.205 0.000 6.662) 6.666 21.702 ( -1.106 0.000 6.591) 6.683 22.800 ( 0.803 0.000 -9.696) 9.730 22.810 ( 0.838 0.000 -10.597) 10.630 22.835 ( -0.263 0.000 -9.569) 9.572 22.848 ( -1.486 0.000 -7.366) 7.514 24.157 ( 0.346 0.000 -25.846) 25.848 24.177 ( -0.499 0.000 -25.552) 25.557 24.183 ( 1.197 0.000 -24.719) 24.748 24.205 ( 0.064 0.000 -25.781) 25.781 24.553 ( 1.000 0.000 32.978) 32.993 24.613 ( 1.349 0.000 38.142) 38.166 24.637 ( -3.751 0.000 37.334) 37.522 24.757 ( -7.784 0.000 37.080) 37.888 25.226 ( 2.086 0.000 -5.472) 5.856 25.276 ( -1.325 0.000 -9.634) 9.725 25.426 ( 4.337 0.000 -14.392) 15.031 25.656 ( -8.624 0.000 -4.123) 9.559 26.808 ( 3.904 0.000 15.113) 15.609 26.864 ( 1.164 0.000 14.371) 14.418 27.089 ( 9.549 0.000 16.938) 19.445 27.379 ( -2.915 0.000 16.004) 16.267 27.718 ( 2.414 0.000 -5.970) 6.439 27.751 ( 2.467 0.000 -5.933) 6.425 27.836 ( -1.094 0.000 -3.415) 3.586 27.858 ( -5.428 0.000 0.013) 5.428 28.628 ( -0.165 0.000 3.223) 3.228 28.686 ( -0.443 0.000 1.208) 1.287 28.705 ( -0.510 0.000 -0.853) 0.994 28.861 ( -10.706 0.000 -4.365) 11.562 30.552 ( 3.588 0.000 -1.200) 3.784 30.645 ( -1.125 0.000 -2.614) 2.845 30.806 ( 0.825 0.000 -8.171) 8.213 30.829 ( 0.056 0.000 -9.034) 9.034 32.210 ( 4.713 0.000 -6.749) 8.232 32.435 ( -4.201 0.000 -6.963) 8.132 32.853 ( 12.108 0.000 -13.327) 18.006 33.084 ( 16.597 0.000 -12.760) 20.936 33.146 ( 0.421 0.000 -12.773) 12.780 33.439 ( -3.203 0.000 -13.504) 13.878 33.853 ( 7.845 0.000 -26.477) 27.614 34.160 ( -13.182 0.000 -20.729) 24.565 39.592 ( -0.953 0.000 13.908) 13.941 39.596 ( 0.603 0.000 3.336) 3.390 39.611 ( -0.067 0.000 4.217) 4.217 39.628 ( -2.973 0.000 15.142) 15.432 40.018 ( 3.285 0.000 -0.933) 3.415 40.119 ( -1.336 0.000 -1.133) 1.752 40.705 ( 1.378 0.000 1.554) 2.077 40.730 ( 8.870 0.000 1.585) 9.011 40.895 ( 13.303 0.000 6.467) 14.792 40.933 ( 1.197 0.000 4.599) 4.753 40.999 ( -0.911 0.000 5.591) 5.664 41.117 ( 4.617 0.000 9.845) 10.874 41.360 ( -5.421 0.000 6.772) 8.675 41.620 ( -12.738 0.000 -4.673) 13.568 42.574 ( 0.986 0.000 -11.192) 11.235 42.619 ( -2.061 0.000 -13.969) 14.120 ======================= Grid point 38 (16/72) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -34.866 0.000 16.777) 38.693 2.323 ( 34.866 0.000 16.777) 38.693 3.072 ( -27.420 0.000 4.709) 27.822 3.072 ( 27.420 0.000 4.709) 27.822 3.259 ( -9.287 0.000 0.115) 9.288 3.259 ( 9.287 0.000 0.115) 9.288 3.372 ( -15.773 0.000 -1.083) 15.810 3.372 ( 15.773 0.000 -1.083) 15.810 3.600 ( -12.545 0.000 9.080) 15.486 3.600 ( 12.545 0.000 9.080) 15.486 3.708 ( -6.107 0.000 -5.616) 8.297 3.708 ( 6.107 0.000 -5.616) 8.297 3.855 ( -13.848 0.000 -10.270) 17.241 3.855 ( 13.848 0.000 -10.270) 17.241 3.974 ( -8.264 0.000 0.027) 8.264 3.974 ( 8.264 0.000 0.027) 8.264 4.039 ( -15.255 0.000 21.776) 26.587 4.039 ( 15.255 0.000 21.776) 26.587 4.722 ( -19.954 0.000 18.599) 27.278 4.722 ( 19.954 0.000 18.599) 27.278 5.115 ( -7.340 0.000 13.707) 15.548 5.115 ( 7.340 0.000 13.707) 15.548 5.293 ( -17.118 0.000 44.963) 48.111 5.293 ( 17.118 0.000 44.963) 48.111 5.532 ( -3.235 0.000 13.496) 13.878 5.532 ( 3.235 0.000 13.496) 13.878 5.592 ( -4.850 0.000 2.374) 5.400 5.592 ( 4.850 0.000 2.374) 5.400 6.418 ( -12.704 0.000 19.428) 23.212 6.418 ( 12.704 0.000 19.428) 23.212 6.569 ( -6.954 0.000 4.025) 8.035 6.569 ( 6.954 0.000 4.025) 8.035 6.858 ( -4.106 0.000 -0.756) 4.174 6.858 ( 4.106 0.000 -0.756) 4.174 7.123 ( -1.249 0.000 -0.489) 1.341 7.123 ( 1.249 0.000 -0.489) 1.341 7.209 ( -1.369 0.000 0.796) 1.583 7.209 ( 1.369 0.000 0.796) 1.583 7.378 ( -2.764 0.000 -11.446) 11.775 7.378 ( 2.764 0.000 -11.446) 11.775 7.623 ( -5.769 0.000 2.316) 6.216 7.623 ( 5.769 0.000 2.316) 6.216 7.687 ( -4.039 0.000 6.035) 7.262 7.687 ( 4.039 0.000 6.035) 7.262 8.173 ( -8.131 0.000 -8.443) 11.722 8.173 ( 8.131 0.000 -8.443) 11.722 8.241 ( -3.196 0.000 -2.200) 3.880 8.241 ( 3.196 0.000 -2.200) 3.880 8.587 ( -2.300 0.000 1.762) 2.897 8.587 ( 2.300 0.000 1.762) 2.897 8.893 ( -2.296 0.000 0.306) 2.316 8.893 ( 2.296 0.000 0.306) 2.316 9.015 ( -1.490 0.000 12.743) 12.830 9.015 ( 1.490 0.000 12.743) 12.830 9.164 ( -6.832 0.000 15.201) 16.666 9.164 ( 6.832 0.000 15.201) 16.666 9.715 ( -0.798 0.000 7.492) 7.534 9.715 ( 0.798 0.000 7.492) 7.534 10.059 ( -7.156 0.000 1.527) 7.317 10.059 ( 7.156 0.000 1.527) 7.317 10.317 ( -10.279 0.000 -7.694) 12.840 10.317 ( 10.279 0.000 -7.694) 12.840 10.323 ( -3.898 0.000 -3.072) 4.963 10.323 ( 3.898 0.000 -3.072) 4.963 11.997 ( -2.900 0.000 -2.549) 3.861 11.997 ( 2.900 0.000 -2.549) 3.861 12.011 ( -2.570 0.000 4.656) 5.318 12.011 ( 2.570 0.000 4.656) 5.318 12.384 ( -0.323 0.000 8.138) 8.145 12.384 ( 0.323 0.000 8.138) 8.145 12.720 ( -1.222 0.000 0.116) 1.228 12.720 ( 1.222 0.000 0.116) 1.228 12.808 ( -5.104 0.000 -3.637) 6.267 12.808 ( 5.104 0.000 -3.637) 6.267 12.901 ( -5.382 0.000 -9.251) 10.702 12.901 ( 5.382 0.000 -9.251) 10.702 14.454 ( -2.950 0.000 -3.466) 4.551 14.454 ( 2.950 0.000 -3.466) 4.552 14.606 ( -6.672 0.000 -5.035) 8.359 14.606 ( 6.672 0.000 -5.035) 8.359 15.426 ( -1.630 0.000 17.731) 17.806 15.426 ( 1.630 0.000 17.731) 17.806 15.484 ( -1.827 0.000 17.034) 17.131 15.484 ( 1.827 0.000 17.034) 17.131 16.052 ( -1.051 0.000 -12.549) 12.593 16.052 ( 1.051 0.000 -12.549) 12.593 16.059 ( -1.011 0.000 -14.142) 14.178 16.059 ( 1.011 0.000 -14.142) 14.178 16.616 ( -1.561 0.000 -11.852) 11.954 16.616 ( 1.561 0.000 -11.852) 11.954 16.699 ( -2.215 0.000 -11.500) 11.711 16.699 ( 2.215 0.000 -11.500) 11.711 17.826 ( -1.976 0.000 19.234) 19.335 17.826 ( 1.976 0.000 19.234) 19.335 17.895 ( -1.191 0.000 20.170) 20.205 17.895 ( 1.191 0.000 20.170) 20.205 18.707 ( -0.270 0.000 7.207) 7.212 18.707 ( 0.270 0.000 7.207) 7.212 18.742 ( -0.438 0.000 5.570) 5.587 18.742 ( 0.438 0.000 5.570) 5.587 19.876 ( -1.969 0.000 0.583) 2.053 19.876 ( 1.969 0.000 0.583) 2.053 20.047 ( -3.819 0.000 1.918) 4.274 20.047 ( 3.819 0.000 1.918) 4.274 20.061 ( -1.916 0.000 1.930) 2.719 20.061 ( 1.916 0.000 1.930) 2.719 20.535 ( -1.619 0.000 -4.446) 4.732 20.535 ( 1.619 0.000 -4.446) 4.732 21.622 ( -0.463 0.000 8.571) 8.583 21.622 ( 0.463 0.000 8.571) 8.583 21.684 ( -0.645 0.000 6.698) 6.729 21.684 ( 0.645 0.000 6.698) 6.729 22.821 ( -1.224 0.000 -8.726) 8.811 22.821 ( 1.224 0.000 -8.726) 8.811 22.825 ( -0.650 0.000 -10.097) 10.118 22.825 ( 0.650 0.000 -10.097) 10.118 24.166 ( -0.529 0.000 -25.878) 25.883 24.166 ( 0.529 0.000 -25.878) 25.883 24.200 ( -0.547 0.000 -25.145) 25.151 24.200 ( 0.547 0.000 -25.145) 25.151 24.581 ( -1.972 0.000 34.140) 34.197 24.581 ( 1.972 0.000 34.140) 34.197 24.655 ( -3.103 0.000 38.466) 38.591 24.655 ( 3.103 0.000 38.466) 38.591 25.253 ( -1.016 0.000 -7.939) 8.004 25.253 ( 1.016 0.000 -7.939) 8.004 25.523 ( -5.458 0.000 -12.514) 13.652 25.523 ( 5.458 0.000 -12.514) 13.652 26.864 ( -1.424 0.000 14.947) 15.015 26.864 ( 1.424 0.000 14.947) 15.015 27.269 ( -7.743 0.000 17.446) 19.087 27.269 ( 7.743 0.000 17.446) 19.087 27.775 ( -3.328 0.000 -4.228) 5.381 27.775 ( 3.328 0.000 -4.228) 5.381 27.801 ( -2.313 0.000 -3.890) 4.525 27.801 ( 2.313 0.000 -3.890) 4.525 28.686 ( -6.052 0.000 -0.552) 6.077 28.686 ( 6.052 0.000 -0.552) 6.077 28.691 ( -0.704 0.000 -0.828) 1.087 28.691 ( 0.704 0.000 -0.828) 1.087 30.612 ( -2.317 0.000 -2.349) 3.299 30.612 ( 2.317 0.000 -2.349) 3.299 30.821 ( -0.650 0.000 -8.509) 8.533 30.821 ( 0.650 0.000 -8.509) 8.533 32.327 ( -6.212 0.000 -6.828) 9.231 32.327 ( 6.212 0.000 -6.828) 9.231 33.072 ( -8.214 0.000 -14.331) 16.518 33.072 ( 8.214 0.000 -14.331) 16.518 33.332 ( -8.275 0.000 -13.401) 15.750 33.332 ( 8.275 0.000 -13.401) 15.750 33.965 ( -6.160 0.000 -18.860) 19.841 33.965 ( 6.160 0.000 -18.860) 19.841 39.592 ( -0.852 0.000 13.381) 13.408 39.592 ( 0.852 0.000 13.381) 13.408 39.607 ( -0.389 0.000 3.609) 3.629 39.607 ( 0.389 0.000 3.609) 3.629 40.079 ( -2.613 0.000 -1.590) 3.059 40.079 ( 2.613 0.000 -1.590) 3.059 40.739 ( -1.811 0.000 3.848) 4.253 40.739 ( 1.811 0.000 3.848) 4.253 40.965 ( -1.915 0.000 5.947) 6.248 40.965 ( 1.915 0.000 5.947) 6.248 41.236 ( -6.558 0.000 7.857) 10.234 41.236 ( 6.558 0.000 7.857) 10.234 41.292 ( -19.611 0.000 -1.944) 19.707 41.292 ( 19.611 0.000 -1.944) 19.707 42.588 ( -0.951 0.000 -11.698) 11.737 42.588 ( 0.951 0.000 -11.698) 11.737 ======================= Grid point 42 (17/72) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.000 18.558 43.447) 47.245 1.232 ( 0.000 44.118 20.185) 48.517 2.140 ( 0.000 18.429 81.526) 83.583 2.155 ( 0.000 -24.425 23.258) 33.728 2.444 ( 0.000 -20.074 45.229) 49.484 2.604 ( 0.000 7.881 2.381) 8.233 2.822 ( 0.000 -0.319 0.568) 0.651 3.186 ( 0.000 4.754 27.673) 28.078 3.364 ( 0.000 -8.478 24.236) 25.676 3.427 ( 0.000 2.542 5.123) 5.719 3.641 ( 0.000 -16.869 6.734) 18.163 3.656 ( 0.000 -27.887 30.231) 41.129 3.809 ( 0.000 6.127 8.030) 10.100 3.833 ( 0.000 4.909 8.631) 9.929 3.978 ( 0.000 -2.140 18.438) 18.562 4.109 ( 0.000 -5.256 11.369) 12.525 4.228 ( 0.000 5.409 13.341) 14.395 4.317 ( 0.000 4.612 1.819) 4.958 4.444 ( 0.000 -3.642 20.975) 21.289 4.554 ( 0.000 -5.625 8.300) 10.026 5.158 ( 0.000 3.781 2.839) 4.728 5.385 ( 0.000 -7.044 1.367) 7.175 5.662 ( 0.000 4.912 -4.174) 6.446 5.717 ( 0.000 30.500 2.176) 30.578 5.771 ( 0.000 -0.452 -2.023) 2.073 5.819 ( 0.000 1.205 -3.984) 4.162 5.884 ( 0.000 -1.061 -3.456) 3.615 6.267 ( 0.000 2.709 -11.277) 11.598 6.431 ( 0.000 0.801 -10.045) 10.077 6.467 ( 0.000 -0.729 -8.731) 8.761 6.542 ( 0.000 2.792 2.938) 4.054 6.675 ( 0.000 -0.345 1.833) 1.865 6.716 ( 0.000 3.428 -3.386) 4.818 6.847 ( 0.000 -1.374 2.480) 2.835 6.860 ( 0.000 1.127 -3.345) 3.530 7.102 ( 0.000 -2.904 -2.081) 3.572 7.292 ( 0.000 0.030 -12.017) 12.017 7.420 ( 0.000 -4.445 -6.010) 7.475 7.474 ( 0.000 -15.750 -1.881) 15.862 7.502 ( 0.000 -20.863 0.325) 20.865 7.860 ( 0.000 5.888 0.111) 5.889 7.988 ( 0.000 -1.859 -0.746) 2.003 8.111 ( 0.000 4.089 -1.041) 4.219 8.271 ( 0.000 -3.762 0.501) 3.795 8.345 ( 0.000 2.588 15.595) 15.808 8.378 ( 0.000 1.526 4.181) 4.451 8.409 ( 0.000 0.856 2.799) 2.927 8.515 ( 0.000 -9.430 20.914) 22.941 8.568 ( 0.000 4.292 18.738) 19.223 8.775 ( 0.000 1.909 22.192) 22.274 8.820 ( 0.000 -7.514 11.586) 13.809 8.881 ( 0.000 7.587 -0.101) 7.587 8.923 ( 0.000 1.547 7.057) 7.225 8.961 ( 0.000 -5.246 15.107) 15.992 8.991 ( 0.000 -0.779 4.579) 4.644 9.212 ( 0.000 3.984 16.452) 16.927 9.223 ( 0.000 -7.373 1.060) 7.449 9.352 ( 0.000 -2.658 13.623) 13.880 9.541 ( 0.000 8.375 4.155) 9.349 9.696 ( 0.000 -0.770 -0.301) 0.827 9.839 ( 0.000 1.252 -1.169) 1.713 9.882 ( 0.000 -0.708 1.154) 1.354 10.117 ( 0.000 16.043 -16.893) 23.297 10.222 ( 0.000 2.787 -7.564) 8.061 11.909 ( 0.000 0.469 -5.541) 5.561 11.924 ( 0.000 0.465 -2.991) 3.027 12.113 ( 0.000 0.499 4.078) 4.108 12.137 ( 0.000 -0.920 3.906) 4.013 12.601 ( 0.000 0.862 3.388) 3.496 12.645 ( 0.000 -1.069 5.485) 5.588 12.948 ( 0.000 10.723 -19.705) 22.433 13.010 ( 0.000 1.017 -12.833) 12.873 13.067 ( 0.000 1.005 0.119) 1.012 13.108 ( 0.000 -0.782 1.862) 2.019 13.153 ( 0.000 0.715 -9.457) 9.484 13.207 ( 0.000 0.073 -11.749) 11.749 14.408 ( 0.000 1.049 -3.627) 3.776 14.478 ( 0.000 -2.138 -3.068) 3.740 14.738 ( 0.000 1.538 -4.067) 4.348 14.780 ( 0.000 -0.445 -2.804) 2.839 15.328 ( 0.000 0.453 20.628) 20.633 15.357 ( 0.000 -0.909 19.675) 19.696 15.481 ( 0.000 1.276 19.481) 19.523 15.522 ( 0.000 -0.442 18.304) 18.310 15.973 ( 0.000 0.153 -13.655) 13.655 15.980 ( 0.000 -0.195 -13.640) 13.642 16.061 ( 0.000 0.361 -11.798) 11.803 16.076 ( 0.000 -0.296 -12.041) 12.044 16.417 ( 0.000 0.435 -14.198) 14.205 16.451 ( 0.000 -1.414 -12.821) 12.898 16.601 ( 0.000 4.270 -14.423) 15.041 16.748 ( 0.000 -2.763 -11.858) 12.176 17.745 ( 0.000 1.100 26.644) 26.666 17.803 ( 0.000 -0.022 21.710) 21.710 17.856 ( 0.000 -0.379 23.176) 23.180 17.904 ( 0.000 -5.009 28.562) 28.998 18.594 ( 0.000 0.512 5.177) 5.202 18.630 ( 0.000 -1.304 5.292) 5.450 18.681 ( 0.000 1.155 5.770) 5.885 18.710 ( 0.000 -0.386 6.725) 6.736 19.797 ( 0.000 1.227 0.488) 1.320 19.883 ( 0.000 -3.394 1.816) 3.850 20.026 ( 0.000 4.013 3.580) 5.378 20.132 ( 0.000 12.166 -12.105) 17.162 20.140 ( 0.000 -1.843 6.282) 6.547 20.318 ( 0.000 -1.039 -8.599) 8.662 20.425 ( 0.000 2.424 -2.402) 3.413 20.553 ( 0.000 -2.277 -6.091) 6.502 21.654 ( 0.000 0.528 7.256) 7.275 21.683 ( 0.000 -0.724 7.276) 7.312 21.730 ( 0.000 0.111 7.263) 7.264 21.735 ( 0.000 0.063 7.562) 7.562 22.787 ( 0.000 -0.009 -10.766) 10.766 22.788 ( 0.000 -0.061 -11.185) 11.185 22.846 ( 0.000 0.841 -8.015) 8.059 22.894 ( 0.000 -1.420 -5.382) 5.566 24.134 ( 0.000 0.233 -25.695) 25.696 24.147 ( 0.000 -0.304 -25.687) 25.689 24.187 ( 0.000 0.168 -25.001) 25.002 24.196 ( 0.000 -0.128 -26.178) 26.179 24.537 ( 0.000 0.416 33.640) 33.643 24.572 ( 0.000 -1.397 36.498) 36.525 24.910 ( 0.000 11.596 59.074) 60.202 25.104 ( 0.000 0.990 -8.918) 8.973 25.148 ( 0.000 -0.926 -12.664) 12.698 25.320 ( 0.000 0.047 -13.503) 13.503 25.320 ( 0.000 0.022 -11.945) 11.945 26.182 ( 0.000 -71.186 74.138) 102.781 26.684 ( 0.000 0.004 17.845) 17.845 26.685 ( 0.000 -0.040 14.754) 14.754 26.824 ( 0.000 0.859 14.192) 14.218 26.862 ( 0.000 -0.815 16.484) 16.504 27.653 ( 0.000 -0.115 -8.051) 8.052 27.679 ( 0.000 -0.853 -8.982) 9.022 27.882 ( 0.000 3.022 -3.141) 4.359 28.031 ( 0.000 -8.535 1.827) 8.728 28.702 ( 0.000 0.252 5.028) 5.034 28.723 ( 0.000 -0.461 6.098) 6.115 29.087 ( 0.000 2.642 -4.338) 5.079 29.175 ( 0.000 -2.773 -6.593) 7.153 30.455 ( 0.000 1.534 0.976) 1.818 30.545 ( 0.000 -2.844 -0.724) 2.934 30.697 ( 0.000 2.694 -3.585) 4.485 30.779 ( 0.000 -1.347 -6.264) 6.407 32.283 ( 0.000 2.271 -7.478) 7.815 32.432 ( 0.000 2.423 -10.113) 10.399 32.433 ( 0.000 -5.444 -7.108) 8.954 32.547 ( 0.000 -2.782 -9.864) 10.249 32.758 ( 0.000 7.867 -8.325) 11.455 33.026 ( 0.000 -4.964 -9.751) 10.942 34.017 ( 0.000 31.594 -43.008) 53.365 34.537 ( 0.000 -4.453 -32.783) 33.084 39.585 ( 0.000 0.499 3.738) 3.771 39.607 ( 0.000 -0.437 4.925) 4.945 39.756 ( 0.000 4.563 28.424) 28.788 39.916 ( 0.000 0.255 -3.640) 3.649 39.929 ( 0.000 -0.323 -0.415) 0.526 40.074 ( 0.000 1.255 -2.219) 2.549 40.127 ( 0.000 -1.086 0.332) 1.136 40.347 ( 0.000 -36.090 36.457) 51.299 40.766 ( 0.000 1.426 7.963) 8.090 40.858 ( 0.000 -3.301 10.042) 10.570 40.991 ( 0.000 3.286 9.884) 10.416 41.081 ( 0.000 -1.402 12.436) 12.515 41.523 ( 0.000 5.581 6.103) 8.270 41.910 ( 0.000 -6.506 3.914) 7.592 42.161 ( 0.000 4.894 -9.821) 10.972 42.609 ( 0.000 -7.846 -18.106) 19.733 ======================= Grid point 43 (18/72) ======================= q-point: ( 0.17 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 13.185 25.594 26.267) 38.972 1.637 ( 31.100 20.273 24.733) 44.609 2.236 ( 11.352 -21.648 18.582) 30.705 2.580 ( 30.231 9.380 45.972) 55.816 2.622 ( 14.608 -24.095 29.276) 40.633 2.800 ( 14.011 6.834 4.678) 16.276 3.012 ( 23.518 2.787 18.012) 29.754 3.270 ( 6.714 -1.186 18.487) 19.704 3.378 ( 3.449 -1.367 21.095) 21.418 3.477 ( 3.620 1.650 3.949) 5.605 3.588 ( -1.503 -2.758 10.623) 11.078 3.694 ( -5.810 1.372 4.544) 7.502 3.751 ( 0.530 -12.928 23.142) 26.513 3.765 ( -5.650 -0.151 6.496) 8.611 4.029 ( 2.426 0.230 9.430) 9.739 4.122 ( 7.476 -4.449 9.890) 13.172 4.256 ( 2.827 5.057 11.575) 12.944 4.328 ( 1.205 6.086 4.913) 7.914 4.511 ( 4.320 -0.291 21.467) 21.899 4.620 ( 4.046 -4.327 16.227) 17.275 5.160 ( 0.924 2.267 4.676) 5.278 5.326 ( -9.380 -4.718 2.850) 10.880 5.438 ( -16.227 1.128 5.148) 17.062 5.573 ( -16.989 -5.049 4.314) 18.241 5.673 ( -2.087 5.089 -0.309) 5.509 5.799 ( -6.554 -0.604 -2.105) 6.910 5.921 ( 4.056 11.669 -0.669) 12.371 5.966 ( -25.334 2.883 0.560) 25.504 6.165 ( -15.314 1.330 0.935) 15.400 6.346 ( 4.048 2.420 -6.007) 7.637 6.654 ( 2.986 3.688 0.423) 4.764 6.789 ( 3.647 2.177 0.237) 4.253 6.920 ( 7.620 -1.298 1.709) 7.916 6.991 ( 9.157 -4.218 -1.917) 10.262 7.070 ( 4.986 0.896 -2.865) 5.820 7.095 ( 11.577 0.175 -4.915) 12.579 7.228 ( -11.470 -5.141 10.960) 16.677 7.296 ( -2.294 -1.438 -7.580) 8.049 7.387 ( -8.275 -8.426 -2.675) 12.109 7.420 ( -2.440 -4.750 -5.306) 7.528 7.762 ( -14.787 6.599 11.275) 19.732 7.799 ( -15.351 2.154 5.152) 16.335 7.864 ( -10.983 0.396 6.213) 12.625 7.989 ( -15.125 -3.343 8.988) 17.908 8.226 ( -3.553 0.706 -2.714) 4.526 8.275 ( -2.826 -0.094 -3.028) 4.143 8.381 ( -1.475 0.186 1.957) 2.458 8.394 ( -2.398 0.134 1.493) 2.828 8.767 ( -3.378 0.835 5.943) 6.887 8.797 ( -3.255 0.703 6.321) 7.145 8.810 ( -2.671 1.192 8.205) 8.710 8.886 ( 0.495 6.209 3.149) 6.979 8.920 ( 5.466 3.976 9.463) 11.629 9.010 ( 5.066 -5.654 14.539) 16.402 9.112 ( -0.900 -0.416 17.390) 17.418 9.262 ( -3.804 -3.748 10.678) 11.939 9.359 ( 11.826 -2.200 6.426) 13.638 9.409 ( 17.375 -3.687 3.341) 18.074 9.644 ( 6.163 3.370 8.915) 11.349 9.779 ( 7.985 -2.012 1.919) 8.456 9.916 ( 5.675 -0.633 0.936) 5.786 9.953 ( 9.717 -3.013 6.655) 12.157 10.290 ( 6.430 5.369 -7.581) 11.298 10.434 ( 14.911 0.296 -22.442) 26.945 11.915 ( 0.723 0.338 -4.983) 5.046 11.926 ( 0.578 0.274 -0.963) 1.156 12.097 ( -1.488 0.337 3.651) 3.956 12.107 ( -2.474 -0.164 3.450) 4.249 12.545 ( -4.977 0.609 4.191) 6.534 12.579 ( -5.906 -0.853 5.694) 8.248 12.837 ( -7.308 6.170 -11.987) 15.335 12.929 ( -6.494 -0.392 -11.420) 13.143 12.990 ( -7.177 0.719 0.947) 7.275 13.019 ( -8.124 -0.507 1.489) 8.275 13.121 ( -3.247 0.795 -9.637) 10.200 13.137 ( -6.406 0.311 -9.188) 11.206 14.429 ( 1.451 0.085 -3.742) 4.014 14.462 ( -1.332 -1.348 -3.197) 3.716 14.734 ( -4.871 2.258 -4.172) 6.799 14.754 ( 0.338 0.845 -5.002) 5.084 15.348 ( 1.801 0.462 19.979) 20.066 15.379 ( 1.927 -1.063 19.143) 19.269 15.478 ( -0.297 1.335 18.642) 18.692 15.518 ( -0.296 -0.541 17.817) 17.828 15.991 ( 1.631 0.027 -13.869) 13.964 15.995 ( 1.316 -0.053 -13.527) 13.591 16.065 ( 0.291 0.215 -12.733) 12.739 16.073 ( -0.249 -0.060 -12.600) 12.603 16.465 ( 4.241 0.567 -13.762) 14.412 16.503 ( 4.386 -1.504 -12.848) 13.659 16.630 ( 2.474 3.750 -14.015) 14.718 16.744 ( -0.327 -1.872 -11.002) 11.165 17.746 ( 0.483 0.816 24.901) 24.919 17.803 ( -0.078 -1.433 23.119) 23.163 17.858 ( -0.182 -0.108 24.148) 24.149 17.875 ( 0.389 -0.244 22.723) 22.728 18.633 ( 2.794 -0.030 5.750) 6.393 18.652 ( 1.873 -0.990 5.781) 6.157 18.697 ( 1.479 1.000 5.634) 5.910 18.721 ( 0.955 -0.258 6.535) 6.610 19.811 ( 1.373 1.344 0.411) 1.965 19.904 ( 1.739 -3.618 1.723) 4.369 19.998 ( -2.540 4.866 2.075) 5.868 20.089 ( -1.760 4.965 -1.062) 5.374 20.137 ( -1.602 -0.192 2.011) 2.578 20.254 ( -5.497 -1.544 -5.957) 8.252 20.449 ( 2.221 2.145 -3.107) 4.380 20.550 ( -0.167 -1.976 -5.540) 5.885 21.667 ( 0.596 -0.002 6.713) 6.740 21.672 ( -1.134 -0.103 7.479) 7.565 21.709 ( -2.138 0.168 8.025) 8.307 21.720 ( -1.152 -0.277 6.868) 6.969 22.790 ( 0.343 0.068 -10.492) 10.498 22.794 ( 0.540 -0.100 -10.972) 10.986 22.843 ( -0.247 0.586 -8.451) 8.474 22.874 ( -1.501 -0.796 -6.071) 6.305 24.149 ( 0.730 -0.125 -25.372) 25.382 24.152 ( 0.820 -0.160 -25.441) 25.455 24.188 ( 0.071 0.385 -25.226) 25.229 24.200 ( 0.303 -0.114 -26.055) 26.057 24.542 ( 0.459 0.421 33.402) 33.407 24.577 ( 0.491 -1.427 36.407) 36.438 24.784 ( -7.563 5.044 43.603) 44.541 24.960 ( -14.076 -2.815 22.090) 26.344 25.207 ( 5.130 5.393 -0.207) 7.446 25.309 ( -0.901 0.413 -10.714) 10.760 25.352 ( 3.107 0.305 -13.793) 14.142 25.780 ( -14.883 -19.268 25.674) 35.382 26.738 ( 4.416 1.450 15.097) 15.796 26.831 ( 2.134 -0.750 14.235) 14.414 26.914 ( 7.030 -0.431 16.785) 18.203 27.107 ( 15.387 -17.658 18.331) 29.742 27.672 ( 1.770 -0.001 -7.511) 7.717 27.698 ( 1.771 -0.877 -8.029) 8.269 27.873 ( -0.899 2.295 -2.882) 3.792 27.967 ( -5.166 -3.490 2.083) 6.574 28.668 ( -2.777 0.323 4.647) 5.423 28.702 ( -1.683 -0.773 4.292) 4.675 28.880 ( -10.620 9.241 -0.074) 14.077 29.055 ( -9.344 -1.941 -7.479) 12.125 30.503 ( 3.969 2.669 -0.124) 4.785 30.658 ( 2.176 -2.176 -3.230) 4.461 30.735 ( 4.092 -2.331 -7.520) 8.873 30.785 ( 0.581 -1.575 -6.465) 6.680 32.206 ( -0.936 3.738 -7.188) 8.156 32.498 ( 7.050 -11.176 -9.533) 16.294 32.546 ( -1.017 4.205 -7.733) 8.861 32.689 ( 15.826 -1.447 -10.707) 19.162 33.084 ( 6.447 -1.656 -10.918) 12.787 33.141 ( 22.582 -8.873 -14.426) 28.227 33.993 ( -1.934 22.776 -36.591) 43.144 34.403 ( -11.867 -3.891 -28.423) 31.046 39.590 ( 0.390 0.447 3.616) 3.665 39.608 ( 0.111 -0.347 4.670) 4.684 39.652 ( -4.879 1.318 18.241) 18.928 39.723 ( -8.750 -1.641 15.886) 18.210 39.977 ( 2.625 2.073 0.138) 3.348 40.104 ( 0.050 -3.243 0.162) 3.247 40.350 ( 21.864 2.588 1.549) 22.071 40.625 ( 10.608 -11.086 1.986) 15.472 40.797 ( 3.762 -2.648 8.971) 10.082 40.851 ( 0.158 -3.344 8.875) 9.486 40.989 ( 0.120 2.257 8.554) 8.847 41.065 ( -1.317 -1.508 11.921) 12.088 41.503 ( -2.009 6.536 6.407) 9.370 41.861 ( -5.331 -0.628 -0.688) 5.412 42.308 ( 9.766 -8.006 -9.801) 15.985 42.589 ( -1.884 -7.754 -16.690) 18.499 ======================= Grid point 44 (19/72) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 25.477 8.295 19.699) 33.255 2.374 ( 36.139 5.795 12.136) 38.560 2.479 ( 6.758 -23.439 13.607) 27.933 2.863 ( 13.345 -12.887 3.001) 18.793 3.056 ( 12.799 -0.530 8.711) 15.491 3.158 ( 17.028 5.423 11.429) 21.213 3.273 ( -5.553 -7.843 14.669) 17.537 3.368 ( 11.388 -6.869 5.968) 14.577 3.507 ( 2.918 3.934 -2.422) 5.464 3.589 ( 5.816 0.367 -0.528) 5.852 3.662 ( 8.456 6.615 12.803) 16.708 3.697 ( 11.786 4.660 6.597) 14.288 3.829 ( 9.289 6.203 7.218) 13.299 3.924 ( 15.753 4.220 17.688) 24.059 3.984 ( -8.166 0.291 -6.152) 10.228 4.131 ( -12.179 -1.074 6.892) 14.035 4.231 ( -5.177 7.146 6.839) 11.164 4.329 ( -17.996 7.016 5.470) 20.075 4.479 ( 13.723 10.445 18.179) 25.057 4.817 ( 8.254 -5.790 32.790) 34.306 5.087 ( -12.250 -4.031 13.482) 18.657 5.160 ( 1.452 -5.085 14.074) 15.035 5.217 ( 1.597 -0.784 17.753) 17.842 5.333 ( -9.309 3.356 10.522) 14.444 5.469 ( -12.599 -5.142 10.097) 16.944 5.594 ( -10.068 -7.507 5.247) 13.611 5.679 ( -7.021 0.707 2.408) 7.456 5.776 ( -6.454 -3.729 9.452) 12.038 6.225 ( 9.466 11.538 14.635) 20.902 6.456 ( 5.248 -0.419 5.462) 7.587 6.678 ( -2.023 4.297 0.913) 4.836 6.737 ( -6.884 3.680 8.990) 11.906 6.917 ( -8.033 1.034 -3.343) 8.762 6.970 ( -12.903 -2.279 8.029) 15.367 7.079 ( 0.118 -1.317 -0.381) 1.377 7.118 ( -2.215 -2.018 3.852) 4.880 7.242 ( 0.163 -0.259 -1.439) 1.471 7.269 ( -1.492 -1.032 1.730) 2.507 7.316 ( 1.725 -2.088 -8.270) 8.703 7.364 ( -0.295 -7.014 -5.436) 8.879 7.511 ( -3.950 0.435 -0.324) 3.988 7.608 ( -7.680 -4.563 5.996) 10.759 7.729 ( 0.345 4.663 1.545) 4.924 7.826 ( -1.489 0.168 2.301) 2.746 8.172 ( -4.294 2.748 -5.627) 7.593 8.211 ( -0.845 0.711 -5.308) 5.422 8.309 ( -4.478 -0.665 0.220) 4.533 8.335 ( -5.870 -1.435 -2.788) 6.656 8.624 ( -5.450 1.308 1.589) 5.826 8.663 ( -5.159 -0.253 0.678) 5.209 8.883 ( 1.601 4.044 -0.040) 4.350 8.947 ( -0.490 2.152 3.574) 4.201 8.968 ( 7.321 0.048 14.503) 16.246 9.045 ( -2.105 0.534 11.924) 12.120 9.098 ( -2.899 -0.823 14.954) 15.254 9.165 ( 1.261 -2.447 14.596) 14.854 9.624 ( 9.337 -1.654 7.328) 11.983 9.673 ( 5.332 -2.697 10.340) 11.942 9.824 ( 13.856 2.552 -0.878) 14.116 9.972 ( 10.077 -5.564 -0.051) 11.511 10.051 ( 5.949 -1.727 1.652) 6.412 10.120 ( 4.910 -6.499 3.986) 9.068 10.417 ( 5.198 7.828 -7.844) 12.240 10.550 ( -0.746 2.420 -13.185) 13.426 11.945 ( 2.289 0.255 -3.095) 3.858 11.956 ( 2.357 -0.191 1.984) 3.087 12.054 ( -2.659 0.172 0.561) 2.723 12.058 ( -2.276 0.043 3.851) 4.473 12.436 ( -4.954 0.203 6.626) 8.276 12.449 ( -5.899 -0.354 7.086) 9.226 12.745 ( -1.553 1.905 -8.884) 9.218 12.820 ( -6.330 -0.264 -1.393) 6.486 12.833 ( -3.723 -1.446 -5.712) 6.970 12.838 ( -8.149 -0.200 2.742) 8.601 12.980 ( -8.272 1.585 -6.924) 10.903 13.022 ( -6.391 -0.386 -9.116) 11.140 14.444 ( 0.080 0.558 -3.622) 3.665 14.477 ( 3.854 -1.002 -4.059) 5.686 14.604 ( -7.016 4.233 -4.103) 9.164 14.713 ( -4.670 -1.007 -5.417) 7.223 15.390 ( 2.152 0.380 18.669) 18.797 15.420 ( 1.653 -1.242 18.043) 18.161 15.472 ( -0.106 1.360 17.544) 17.597 15.508 ( -0.840 -0.491 17.091) 17.119 16.025 ( 1.628 0.093 -13.014) 13.116 16.029 ( 1.789 -0.079 -13.870) 13.986 16.066 ( -0.302 0.100 -12.993) 12.997 16.069 ( -0.144 0.020 -13.636) 13.637 16.559 ( 4.510 0.674 -12.823) 13.609 16.592 ( 3.768 -1.008 -12.281) 12.885 16.673 ( 1.438 2.160 -12.965) 13.222 16.731 ( -1.165 -0.693 -10.502) 10.589 17.777 ( 2.496 0.461 21.331) 21.481 17.817 ( 1.261 -1.613 21.242) 21.341 17.876 ( 1.452 1.234 20.392) 20.480 17.897 ( 0.998 0.042 20.836) 20.860 18.682 ( 1.868 -0.174 6.823) 7.076 18.688 ( 1.460 -0.582 6.588) 6.773 18.730 ( 1.458 0.699 5.460) 5.695 18.740 ( 0.836 0.080 6.120) 6.177 19.848 ( 2.184 1.542 0.326) 2.694 19.941 ( -0.228 0.708 2.585) 2.690 19.947 ( -0.083 -0.672 -0.041) 0.678 20.067 ( -1.351 0.132 2.762) 3.077 20.089 ( -2.353 0.185 0.817) 2.498 20.145 ( -4.348 -0.519 0.090) 4.380 20.498 ( 2.312 0.974 -3.974) 4.699 20.547 ( -0.295 -1.087 -4.979) 5.105 21.640 ( -1.518 0.479 8.119) 8.273 21.656 ( -2.211 0.035 8.386) 8.673 21.675 ( -0.114 0.029 6.785) 6.786 21.696 ( -1.106 -0.631 6.740) 6.859 22.801 ( 0.767 0.118 -9.743) 9.774 22.808 ( 0.794 -0.178 -10.382) 10.414 22.836 ( -0.396 0.199 -9.316) 9.327 22.846 ( -1.261 -0.214 -7.757) 7.862 24.157 ( 0.342 0.034 -25.737) 25.740 24.167 ( 0.185 -0.562 -25.360) 25.367 24.193 ( 0.485 0.620 -25.102) 25.114 24.205 ( 0.121 -0.044 -25.662) 25.662 24.556 ( 0.968 0.403 33.290) 33.306 24.590 ( 0.641 -1.477 36.180) 36.216 24.668 ( -3.787 2.245 37.998) 38.252 24.743 ( -7.186 -1.466 37.012) 37.731 25.268 ( 1.518 4.049 -4.094) 5.955 25.293 ( -0.565 1.713 -8.724) 8.908 25.423 ( 3.634 0.135 -14.470) 14.920 25.600 ( -5.904 -5.856 -4.995) 9.701 26.827 ( 3.903 2.002 15.393) 16.006 26.872 ( 1.623 0.573 14.752) 14.852 27.084 ( 8.940 -0.136 17.016) 19.222 27.270 ( 2.214 -9.718 17.416) 20.066 27.718 ( 2.686 0.194 -6.152) 6.715 27.742 ( 2.463 -0.852 -5.925) 6.473 27.844 ( -2.082 0.876 -2.722) 3.538 27.867 ( -4.354 0.287 -0.844) 4.444 28.630 ( -0.317 0.542 1.383) 1.519 28.675 ( -0.662 -1.199 0.965) 1.676 28.750 ( -3.645 3.873 -0.730) 5.368 28.850 ( -9.850 -1.210 -3.778) 10.619 30.582 ( 3.544 3.205 -1.922) 5.150 30.663 ( -0.649 1.458 -3.061) 3.452 30.785 ( 1.134 -2.536 -8.338) 8.789 30.798 ( 0.474 -2.477 -7.385) 7.803 32.262 ( 5.554 5.789 -6.972) 10.629 32.498 ( -3.909 6.676 -7.432) 10.727 32.684 ( 10.386 -14.836 -11.075) 21.228 32.893 ( 3.745 -12.690 -10.958) 17.179 33.282 ( 11.459 7.016 -13.766) 19.236 33.421 ( 6.397 -1.631 -13.637) 15.151 33.960 ( -0.958 8.538 -25.666) 27.065 34.145 ( -11.940 -1.761 -21.466) 24.627 39.594 ( -0.978 0.327 12.416) 12.458 39.600 ( 0.244 0.333 5.160) 5.177 39.610 ( 0.039 -0.145 4.132) 4.134 39.620 ( -2.637 -0.740 14.855) 15.105 40.034 ( 2.906 1.614 -1.042) 3.483 40.105 ( -0.333 -1.469 -1.190) 1.920 40.711 ( 1.625 0.597 1.626) 2.375 40.728 ( 7.155 -0.172 1.555) 7.324 40.883 ( 11.835 -0.664 5.592) 13.107 40.927 ( 3.865 -1.302 4.107) 5.788 40.998 ( -0.308 0.073 6.408) 6.416 41.061 ( 2.572 -4.020 10.164) 11.228 41.451 ( -2.536 9.400 6.308) 11.601 41.699 ( -10.561 4.788 -1.953) 11.759 42.443 ( 3.938 -10.124 -9.988) 14.757 42.543 ( -2.423 -7.745 -13.573) 15.815 ======================= Grid point 45 (20/72) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -24.242 -10.625 17.627) 31.801 2.195 ( 24.242 -10.625 17.627) 31.801 2.985 ( -6.370 -8.172 -2.666) 10.699 2.985 ( 6.370 -8.172 -2.666) 10.699 3.211 ( -16.462 3.672 13.250) 21.448 3.211 ( 16.462 3.672 13.250) 21.448 3.460 ( -10.314 -2.980 2.295) 10.978 3.460 ( 10.314 -2.980 2.295) 10.978 3.636 ( -3.099 6.049 -1.298) 6.919 3.636 ( 3.099 6.049 -1.298) 6.919 3.788 ( -7.473 5.018 -0.724) 9.031 3.788 ( 7.473 5.018 -0.724) 9.031 3.833 ( -8.507 0.138 -10.865) 13.800 3.833 ( 8.507 0.138 -10.865) 13.800 3.985 ( -8.325 -2.238 7.793) 11.621 3.985 ( 8.325 -2.238 7.793) 11.621 4.098 ( -4.492 8.194 9.366) 13.230 4.098 ( 4.492 8.194 9.366) 13.230 4.781 ( -14.800 6.090 21.903) 27.127 4.781 ( 14.800 6.090 21.903) 27.127 5.099 ( -6.640 -0.730 13.667) 15.213 5.099 ( 6.640 -0.730 13.667) 15.213 5.314 ( -13.702 -1.399 34.994) 37.607 5.314 ( 13.702 -1.399 34.994) 37.607 5.442 ( -2.126 -4.703 18.044) 18.768 5.442 ( 2.126 -4.703 18.044) 18.768 5.604 ( -5.853 -0.462 6.492) 8.754 5.604 ( 5.853 -0.462 6.492) 8.754 6.384 ( -11.245 -2.273 17.536) 20.955 6.384 ( 11.245 -2.273 17.536) 20.955 6.651 ( -5.341 7.035 4.970) 10.135 6.651 ( 5.341 7.035 4.970) 10.135 6.830 ( -2.871 -2.466 -0.735) 3.855 6.830 ( 2.871 -2.466 -0.735) 3.855 7.071 ( -0.912 -4.922 -0.808) 5.070 7.071 ( 0.912 -4.922 -0.808) 5.070 7.228 ( -2.254 0.919 0.350) 2.459 7.228 ( 2.254 0.919 0.350) 2.459 7.356 ( -1.863 -2.758 -7.087) 7.830 7.356 ( 1.863 -2.758 -7.087) 7.830 7.515 ( -3.046 -3.633 0.831) 4.813 7.515 ( 3.046 -3.633 0.831) 4.813 7.806 ( -3.898 5.892 4.766) 8.522 7.806 ( 3.898 5.892 4.766) 8.522 8.170 ( -6.466 -0.294 -8.386) 10.593 8.170 ( 6.466 -0.294 -8.386) 10.593 8.234 ( -2.556 -0.526 -2.232) 3.434 8.234 ( 2.556 -0.526 -2.232) 3.434 8.595 ( -1.626 0.713 1.552) 2.358 8.595 ( 1.626 0.713 1.552) 2.358 8.917 ( -1.913 2.306 0.703) 3.078 8.917 ( 1.913 2.306 0.703) 3.078 9.009 ( -0.738 -0.594 12.334) 12.370 9.009 ( 0.738 -0.594 12.334) 12.370 9.157 ( -4.556 -0.742 14.686) 15.394 9.157 ( 4.556 -0.742 14.686) 15.394 9.711 ( -0.792 -0.323 7.114) 7.165 9.711 ( 0.792 -0.323 7.114) 7.165 10.055 ( -6.690 -1.365 0.481) 6.845 10.055 ( 6.690 -1.365 0.481) 6.845 10.129 ( -4.163 -7.436 0.044) 8.522 10.129 ( 4.163 -7.436 0.044) 8.522 10.497 ( -3.464 7.222 -8.609) 11.759 10.497 ( 3.464 7.222 -8.609) 11.759 11.999 ( -2.543 0.192 -2.402) 3.503 11.999 ( 2.543 0.192 -2.402) 3.503 12.010 ( -2.312 -0.090 4.503) 5.063 12.010 ( 2.312 -0.090 4.503) 5.063 12.382 ( -0.230 -0.106 8.063) 8.067 12.382 ( 0.230 -0.106 8.063) 8.067 12.728 ( -0.905 0.670 1.525) 1.896 12.728 ( 0.905 0.670 1.525) 1.896 12.801 ( -3.568 -0.601 -5.643) 6.703 12.801 ( 3.568 -0.601 -5.643) 6.703 12.901 ( -3.676 0.006 -8.517) 9.276 12.901 ( 3.676 0.006 -8.517) 9.276 14.483 ( -4.008 2.896 -3.965) 6.338 14.483 ( 4.008 2.896 -3.965) 6.338 14.591 ( -6.513 -1.656 -4.914) 8.325 14.591 ( 6.513 -1.656 -4.914) 8.325 15.425 ( -1.112 -0.090 17.660) 17.695 15.425 ( 1.112 -0.090 17.660) 17.695 15.485 ( -1.252 0.082 17.112) 17.158 15.485 ( 1.252 0.082 17.112) 17.158 16.052 ( -0.825 0.073 -12.602) 12.629 16.052 ( 0.825 0.073 -12.602) 12.629 16.059 ( -0.808 -0.032 -14.090) 14.114 16.059 ( 0.808 -0.032 -14.090) 14.114 16.622 ( -1.253 0.523 -11.784) 11.862 16.622 ( 1.253 0.523 -11.784) 11.862 16.699 ( -1.690 0.016 -11.692) 11.813 16.699 ( 1.690 0.016 -11.692) 11.813 17.822 ( -1.276 -0.339 19.386) 19.431 17.822 ( 1.276 -0.339 19.386) 19.431 17.900 ( -0.727 0.436 19.927) 19.945 17.900 ( 0.727 0.436 19.927) 19.945 18.702 ( -0.133 -0.377 7.148) 7.159 18.702 ( 0.133 -0.377 7.148) 7.159 18.748 ( -0.250 0.436 5.665) 5.687 18.748 ( 0.250 0.436 5.665) 5.687 19.894 ( -2.398 1.996 0.487) 3.158 19.894 ( 2.398 1.996 0.487) 3.158 20.001 ( -3.528 -3.152 1.045) 4.845 20.001 ( 3.528 -3.152 1.045) 4.845 20.091 ( -1.446 1.371 2.836) 3.466 20.091 ( 1.446 1.371 2.836) 3.466 20.533 ( -1.153 -0.112 -4.545) 4.690 20.533 ( 1.153 -0.112 -4.545) 4.690 21.627 ( -0.384 0.427 8.538) 8.558 21.627 ( 0.384 0.427 8.538) 8.558 21.679 ( -0.516 -0.425 6.747) 6.780 21.679 ( 0.516 -0.425 6.747) 6.780 22.818 ( -0.514 -0.192 -8.742) 8.760 22.818 ( 0.514 -0.192 -8.742) 8.760 22.828 ( -0.108 0.151 -10.061) 10.063 22.828 ( 0.108 0.151 -10.061) 10.063 24.164 ( -0.333 -0.153 -25.860) 25.863 24.164 ( 0.333 -0.153 -25.860) 25.863 24.203 ( -0.347 0.186 -25.121) 25.124 24.203 ( 0.347 0.186 -25.121) 25.124 24.581 ( -1.429 0.005 34.367) 34.397 24.581 ( 1.429 0.005 34.367) 34.397 24.652 ( -2.217 -0.214 37.385) 37.451 24.652 ( 2.217 -0.214 37.385) 37.451 25.285 ( -0.439 3.028 -6.714) 7.378 25.285 ( 0.439 3.028 -6.714) 7.378 25.500 ( -4.285 -2.261 -13.022) 13.894 25.500 ( 4.285 -2.261 -13.022) 13.894 26.879 ( -1.116 1.498 15.315) 15.428 26.879 ( 1.116 1.498 15.315) 15.428 27.233 ( -5.272 -3.254 17.378) 18.450 27.233 ( 5.272 -3.254 17.378) 18.450 27.772 ( -1.911 -0.186 -4.297) 4.707 27.772 ( 1.911 -0.186 -4.297) 4.707 27.807 ( -1.323 0.488 -3.649) 3.912 27.807 ( 1.323 0.488 -3.649) 3.912 28.661 ( -2.251 -1.173 -1.621) 3.012 28.661 ( 2.251 -1.173 -1.621) 3.012 28.717 ( -1.529 1.207 -0.001) 1.948 28.717 ( 1.529 1.207 -0.001) 1.948 30.638 ( -1.961 2.546 -2.939) 4.355 30.638 ( 1.961 2.546 -2.939) 4.355 30.799 ( -0.353 -2.279 -7.974) 8.301 30.799 ( 0.353 -2.279 -7.974) 8.301 32.391 ( -6.495 6.986 -7.209) 11.956 32.391 ( 6.495 6.986 -7.209) 11.956 32.863 ( -6.166 -16.269 -11.628) 20.927 32.863 ( 6.166 -16.269 -11.628) 20.927 33.445 ( -3.703 6.459 -14.516) 16.314 33.445 ( 3.703 6.459 -14.516) 16.314 33.980 ( -4.069 1.328 -19.356) 19.823 33.980 ( 4.069 1.328 -19.356) 19.823 39.590 ( -0.592 -0.177 13.205) 13.220 39.590 ( 0.592 -0.177 13.205) 13.220 39.608 ( -0.263 0.090 3.705) 3.715 39.608 ( 0.263 0.090 3.705) 3.715 40.083 ( -1.859 0.373 -1.568) 2.461 40.083 ( 1.859 0.373 -1.568) 2.461 40.738 ( -1.287 -0.053 3.844) 4.054 40.738 ( 1.287 -0.053 3.844) 4.054 40.971 ( -1.699 0.687 6.300) 6.561 40.971 ( 1.699 0.687 6.300) 6.561 41.104 ( -2.713 -6.349 3.878) 7.919 41.104 ( 2.713 -6.349 3.878) 7.919 41.483 ( -8.187 11.736 1.446) 14.382 41.483 ( 8.187 11.736 1.446) 14.382 42.498 ( -2.172 -8.438 -10.910) 13.962 42.498 ( 2.172 -8.438 -10.910) 13.962 ======================= Grid point 49 (21/72) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 -27.986 31.061) 41.809 1.659 ( 0.000 27.986 31.061) 41.809 1.945 ( 0.000 -31.908 32.932) 45.855 1.945 ( 0.000 31.908 32.932) 45.855 2.720 ( 0.000 -39.753 43.051) 58.597 2.720 ( 0.000 39.753 43.051) 58.597 2.752 ( 0.000 -6.999 -0.273) 7.004 2.752 ( 0.000 6.999 -0.273) 7.004 3.365 ( 0.000 -6.474 30.894) 31.565 3.365 ( 0.000 6.474 30.894) 31.565 3.498 ( 0.000 -5.440 8.102) 9.759 3.498 ( 0.000 5.440 8.102) 9.759 3.921 ( 0.000 -4.176 15.480) 16.034 3.921 ( 0.000 4.176 15.480) 16.034 3.969 ( 0.000 -9.428 9.275) 13.225 3.969 ( 0.000 9.428 9.275) 13.225 4.343 ( 0.000 -6.675 20.154) 21.231 4.343 ( 0.000 6.675 20.154) 21.231 4.430 ( 0.000 -7.263 4.697) 8.649 4.430 ( 0.000 7.263 4.697) 8.649 5.256 ( 0.000 -6.713 1.583) 6.897 5.256 ( 0.000 6.713 1.583) 6.897 5.738 ( 0.000 -3.155 -2.475) 4.010 5.738 ( 0.000 3.155 -2.475) 4.010 5.854 ( 0.000 -2.137 -4.134) 4.654 5.854 ( 0.000 2.137 -4.134) 4.654 6.174 ( 0.000 -15.607 -11.226) 19.225 6.174 ( 0.000 15.607 -11.226) 19.225 6.450 ( 0.000 -1.085 -9.298) 9.361 6.450 ( 0.000 1.085 -9.298) 9.361 6.627 ( 0.000 -5.624 3.897) 6.842 6.627 ( 0.000 5.624 3.897) 6.842 6.792 ( 0.000 -4.364 -1.713) 4.689 6.792 ( 0.000 4.364 -1.713) 4.689 6.934 ( 0.000 -9.337 4.242) 10.255 6.934 ( 0.000 9.337 4.242) 10.255 7.326 ( 0.000 -4.489 -4.481) 6.343 7.326 ( 0.000 4.489 -4.481) 6.343 7.332 ( 0.000 -4.322 -7.192) 8.391 7.332 ( 0.000 4.322 -7.192) 8.391 7.939 ( 0.000 -3.209 -0.077) 3.210 7.939 ( 0.000 3.209 -0.077) 3.210 8.194 ( 0.000 -4.630 -0.600) 4.669 8.194 ( 0.000 4.630 -0.600) 4.669 8.405 ( 0.000 -1.157 4.094) 4.254 8.405 ( 0.000 1.157 4.094) 4.254 8.411 ( 0.000 -4.256 17.496) 18.007 8.411 ( 0.000 4.256 17.496) 18.007 8.679 ( 0.000 -7.470 14.343) 16.172 8.679 ( 0.000 7.470 14.343) 16.172 8.850 ( 0.000 -5.706 19.342) 20.166 8.850 ( 0.000 5.706 19.342) 20.166 8.959 ( 0.000 -2.253 6.515) 6.893 8.959 ( 0.000 2.253 6.515) 6.893 9.057 ( 0.000 -10.192 -0.703) 10.216 9.057 ( 0.000 10.192 -0.703) 10.216 9.289 ( 0.000 -4.137 14.156) 14.748 9.289 ( 0.000 4.137 14.156) 14.748 9.648 ( 0.000 -4.249 4.203) 5.977 9.648 ( 0.000 4.249 4.203) 5.977 9.864 ( 0.000 -1.312 0.199) 1.327 9.864 ( 0.000 1.312 0.199) 1.327 10.249 ( 0.000 -1.294 -13.274) 13.337 10.249 ( 0.000 1.294 -13.274) 13.337 11.920 ( 0.000 -0.651 -4.645) 4.690 11.920 ( 0.000 0.651 -4.645) 4.690 12.124 ( 0.000 -0.648 3.874) 3.928 12.124 ( 0.000 0.648 3.874) 3.928 12.622 ( 0.000 -1.346 4.326) 4.531 12.622 ( 0.000 1.346 4.326) 4.531 13.027 ( 0.000 -0.348 -14.919) 14.923 13.027 ( 0.000 0.348 -14.919) 14.923 13.089 ( 0.000 -1.244 1.099) 1.660 13.089 ( 0.000 1.244 1.099) 1.660 13.192 ( 0.000 -2.156 -13.423) 13.595 13.192 ( 0.000 2.156 -13.423) 13.595 14.437 ( 0.000 -2.063 -3.448) 4.018 14.437 ( 0.000 2.063 -3.448) 4.018 14.765 ( 0.000 -1.211 -3.339) 3.552 14.765 ( 0.000 1.211 -3.339) 3.552 15.340 ( 0.000 -0.874 20.188) 20.207 15.340 ( 0.000 0.874 20.188) 20.207 15.506 ( 0.000 -1.233 18.924) 18.964 15.506 ( 0.000 1.233 18.924) 18.964 15.976 ( 0.000 -0.240 -13.630) 13.632 15.976 ( 0.000 0.240 -13.630) 13.632 16.069 ( 0.000 -0.458 -11.940) 11.948 16.069 ( 0.000 0.458 -11.940) 11.948 16.429 ( 0.000 -0.958 -13.710) 13.743 16.429 ( 0.000 0.958 -13.710) 13.743 16.682 ( 0.000 -4.314 -12.775) 13.484 16.682 ( 0.000 4.314 -12.775) 13.484 17.778 ( 0.000 -2.335 26.423) 26.526 17.778 ( 0.000 2.335 26.423) 26.526 17.856 ( 0.000 -0.808 23.872) 23.885 17.856 ( 0.000 0.808 23.872) 23.885 18.608 ( 0.000 -1.009 5.177) 5.274 18.608 ( 0.000 1.009 5.177) 5.274 18.699 ( 0.000 -0.814 6.302) 6.354 18.699 ( 0.000 0.814 6.302) 6.354 19.830 ( 0.000 -2.406 0.919) 2.575 19.830 ( 0.000 2.406 0.919) 2.575 20.093 ( 0.000 -3.278 5.167) 6.119 20.093 ( 0.000 3.278 5.167) 6.119 20.278 ( 0.000 -4.072 -11.872) 12.551 20.278 ( 0.000 4.072 -11.872) 12.551 20.492 ( 0.000 -4.237 -5.595) 7.018 20.492 ( 0.000 4.237 -5.595) 7.018 21.667 ( 0.000 -0.900 7.187) 7.243 21.667 ( 0.000 0.900 7.187) 7.243 21.734 ( 0.000 -0.222 7.494) 7.498 21.734 ( 0.000 0.222 7.494) 7.498 22.787 ( 0.000 -0.055 -11.033) 11.034 22.787 ( 0.000 0.055 -11.033) 11.034 22.867 ( 0.000 -1.438 -6.490) 6.648 22.867 ( 0.000 1.438 -6.490) 6.648 24.140 ( 0.000 -0.419 -25.577) 25.580 24.140 ( 0.000 0.419 -25.577) 25.580 24.192 ( 0.000 -0.294 -25.711) 25.713 24.192 ( 0.000 0.294 -25.711) 25.713 24.550 ( 0.000 -0.955 34.641) 34.654 24.550 ( 0.000 0.955 34.641) 34.654 25.127 ( 0.000 -1.348 -10.671) 10.756 25.127 ( 0.000 1.348 -10.671) 10.756 25.272 ( 0.000 -31.170 75.111) 81.322 25.272 ( 0.000 31.170 75.111) 81.322 25.320 ( 0.000 -0.031 -12.845) 12.845 25.320 ( 0.000 0.031 -12.845) 12.845 26.684 ( 0.000 -0.038 16.193) 16.193 26.684 ( 0.000 0.038 16.193) 16.193 26.843 ( 0.000 -1.177 15.443) 15.488 26.843 ( 0.000 1.177 15.443) 15.488 27.662 ( 0.000 -0.882 -8.617) 8.662 27.662 ( 0.000 0.882 -8.617) 8.662 27.938 ( 0.000 -3.460 -0.663) 3.523 27.938 ( 0.000 3.460 -0.663) 3.523 28.712 ( 0.000 -0.701 5.647) 5.690 28.712 ( 0.000 0.701 5.647) 5.690 29.130 ( 0.000 -2.343 -7.725) 8.073 29.130 ( 0.000 2.343 -7.725) 8.073 30.494 ( 0.000 -2.621 0.403) 2.652 30.494 ( 0.000 2.621 0.403) 2.652 30.744 ( 0.000 -2.383 -5.221) 5.740 30.744 ( 0.000 2.383 -5.221) 5.740 32.343 ( 0.000 -4.263 -7.301) 8.455 32.343 ( 0.000 4.263 -7.301) 8.455 32.488 ( 0.000 -3.478 -10.167) 10.745 32.488 ( 0.000 3.478 -10.167) 10.745 32.905 ( 0.000 -7.878 -8.981) 11.946 32.905 ( 0.000 7.878 -8.981) 11.946 34.394 ( 0.000 -12.400 -38.846) 40.777 34.394 ( 0.000 12.400 -38.846) 40.777 39.596 ( 0.000 -0.648 4.353) 4.401 39.596 ( 0.000 0.648 4.353) 4.401 39.911 ( 0.000 -14.037 35.251) 37.943 39.911 ( 0.000 14.037 35.251) 37.943 39.922 ( 0.000 -0.393 -2.380) 2.412 39.922 ( 0.000 0.393 -2.380) 2.412 40.102 ( 0.000 -1.637 -0.612) 1.748 40.102 ( 0.000 1.637 -0.612) 1.748 40.803 ( 0.000 -2.601 8.642) 9.025 40.803 ( 0.000 2.601 8.642) 9.025 41.045 ( 0.000 -2.574 11.522) 11.806 41.045 ( 0.000 2.574 11.522) 11.806 41.678 ( 0.000 -11.583 9.003) 14.671 41.678 ( 0.000 11.583 9.003) 14.671 42.407 ( 0.000 -13.984 -18.938) 23.542 42.407 ( 0.000 13.984 -18.938) 23.542 ======================= Grid point 51 (22/72) ======================= q-point: ( 0.17 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 10.091 -28.342 23.899) 38.422 1.768 ( 10.091 28.342 23.899) 38.422 2.112 ( 16.467 -29.508 22.241) 40.454 2.112 ( 16.467 29.508 22.241) 40.454 2.785 ( 14.628 -10.156 14.806) 23.159 2.785 ( 14.628 10.156 14.806) 23.159 3.142 ( 18.914 -11.342 20.275) 29.957 3.142 ( 18.914 11.342 20.275) 29.957 3.443 ( 10.379 -7.681 22.050) 25.553 3.443 ( 10.379 7.681 22.050) 25.553 3.550 ( 8.068 -3.118 16.764) 18.863 3.550 ( 8.068 3.118 16.764) 18.863 3.743 ( -9.134 -2.148 5.914) 11.091 3.743 ( -9.134 2.148 5.914) 11.091 4.069 ( 2.777 -3.090 4.521) 6.140 4.069 ( 2.777 3.090 4.521) 6.140 4.378 ( 4.153 -5.087 17.290) 18.495 4.378 ( 4.153 5.087 17.290) 18.495 4.512 ( 5.929 -5.472 15.919) 17.847 4.512 ( 5.929 5.472 15.919) 17.847 5.227 ( -4.014 -5.147 2.522) 6.997 5.227 ( -4.014 5.147 2.522) 6.997 5.489 ( -19.600 -3.971 5.219) 20.668 5.489 ( -19.600 3.971 5.219) 20.668 5.757 ( -8.214 -3.749 -3.214) 9.584 5.757 ( -8.214 3.749 -3.214) 9.584 6.015 ( -20.530 -1.676 -1.669) 20.666 6.015 ( -20.530 1.676 -1.669) 20.666 6.294 ( 3.031 -8.925 -3.965) 10.226 6.294 ( 3.031 8.925 -3.965) 10.226 6.753 ( 0.398 -6.595 1.851) 6.861 6.753 ( 0.398 6.595 1.851) 6.861 6.912 ( 9.248 -2.845 1.120) 9.741 6.912 ( 9.248 2.845 1.120) 9.741 7.086 ( 12.085 -0.820 -2.389) 12.346 7.086 ( 12.085 0.820 -2.389) 12.346 7.239 ( -6.025 -5.600 -1.687) 8.397 7.239 ( -6.025 5.600 -1.687) 8.397 7.328 ( -2.165 -4.037 -5.919) 7.485 7.328 ( -2.165 4.037 -5.919) 7.485 7.822 ( -11.856 -0.159 5.527) 13.082 7.822 ( -11.856 0.159 5.527) 13.082 7.913 ( -18.980 -4.799 11.879) 22.899 7.913 ( -18.980 4.799 11.879) 22.899 8.253 ( -1.570 -1.809 -3.513) 4.252 8.253 ( -1.570 1.809 -3.513) 4.252 8.389 ( -2.423 -0.534 2.032) 3.207 8.389 ( -2.423 0.534 2.032) 3.207 8.783 ( -6.236 -1.141 1.933) 6.628 8.783 ( -6.236 1.141 1.933) 6.628 8.886 ( 4.561 -5.521 17.062) 18.504 8.886 ( 4.561 5.521 17.062) 18.504 8.979 ( 0.160 -1.421 5.934) 6.104 8.979 ( 0.160 1.421 5.934) 6.104 9.149 ( 4.178 -6.406 9.532) 12.221 9.149 ( 4.178 6.406 9.532) 12.221 9.354 ( 11.257 -1.564 10.043) 15.167 9.354 ( 11.257 1.564 10.043) 15.167 9.721 ( 6.138 -4.236 4.374) 8.646 9.721 ( 6.138 4.236 4.374) 8.646 9.918 ( 6.333 -0.951 3.571) 7.332 9.918 ( 6.333 0.951 3.571) 7.332 10.390 ( 9.830 -4.673 -13.015) 16.967 10.390 ( 9.830 4.673 -13.015) 16.967 11.923 ( 0.530 -0.451 -3.249) 3.322 11.923 ( 0.530 0.451 -3.249) 3.322 12.103 ( -1.868 -0.290 3.468) 3.949 12.103 ( -1.868 0.290 3.468) 3.949 12.561 ( -5.441 -1.018 4.849) 7.359 12.561 ( -5.441 1.018 4.849) 7.359 12.910 ( -8.740 -2.029 -12.155) 15.108 12.910 ( -8.740 2.029 -12.155) 15.108 13.005 ( -7.639 -0.905 1.311) 7.804 13.005 ( -7.639 0.905 1.311) 7.804 13.136 ( -4.946 -0.535 -10.087) 11.247 13.136 ( -4.946 0.535 -10.087) 11.247 14.439 ( 0.128 -1.005 -3.419) 3.566 14.439 ( 0.128 1.005 -3.419) 3.566 14.761 ( -1.671 -0.455 -5.002) 5.293 14.761 ( -1.671 0.455 -5.002) 5.293 15.360 ( 1.800 -0.926 19.576) 19.680 15.360 ( 1.800 0.926 19.576) 19.680 15.502 ( -0.303 -1.203 18.226) 18.268 15.502 ( -0.303 1.203 18.226) 18.268 15.993 ( 1.488 -0.115 -13.603) 13.684 15.993 ( 1.488 0.115 -13.603) 13.684 16.070 ( 0.042 -0.264 -12.750) 12.753 16.070 ( 0.042 0.264 -12.750) 12.753 16.479 ( 4.380 -1.059 -13.507) 14.238 16.479 ( 4.380 1.059 -13.507) 14.238 16.697 ( 1.154 -3.319 -12.267) 12.760 16.697 ( 1.154 3.319 -12.267) 12.760 17.770 ( -0.101 -1.810 24.969) 25.035 17.770 ( -0.101 1.810 24.969) 25.035 17.866 ( 1.083 -0.664 22.293) 22.330 17.866 ( 1.083 0.664 22.293) 22.330 18.637 ( 2.367 -0.540 5.756) 6.247 18.637 ( 2.367 0.540 5.756) 6.247 18.713 ( 1.219 -0.647 6.152) 6.305 18.713 ( 1.219 0.647 6.152) 6.305 19.847 ( 1.585 -2.597 0.798) 3.145 19.847 ( 1.585 2.597 0.798) 3.145 20.075 ( -1.876 -3.408 4.365) 5.848 20.075 ( -1.876 3.408 4.365) 5.848 20.205 ( -5.444 -4.068 -6.762) 9.587 20.205 ( -5.444 4.068 -6.762) 9.587 20.501 ( 0.916 -3.197 -4.898) 5.921 20.501 ( 0.916 3.197 -4.898) 5.921 21.668 ( -0.171 -0.189 7.117) 7.122 21.668 ( -0.171 0.189 7.117) 7.122 21.714 ( -1.753 -0.350 7.525) 7.734 21.714 ( -1.753 0.350 7.525) 7.734 22.792 ( 0.454 -0.123 -10.769) 10.779 22.792 ( 0.454 0.123 -10.769) 10.779 22.857 ( -0.776 -0.943 -7.196) 7.299 22.857 ( -0.776 0.943 -7.196) 7.299 24.149 ( 0.676 -0.125 -25.346) 25.355 24.149 ( 0.676 0.125 -25.346) 25.355 24.195 ( 0.302 -0.365 -25.712) 25.716 24.195 ( 0.302 0.365 -25.712) 25.716 24.554 ( 0.466 -0.965 34.457) 34.474 24.554 ( 0.466 0.965 34.457) 34.474 24.885 ( -12.351 -5.336 34.921) 37.423 24.885 ( -12.351 5.336 34.921) 37.423 25.308 ( 0.277 -1.727 -6.015) 6.264 25.308 ( 0.277 1.727 -6.015) 6.264 25.437 ( 5.030 -13.825 7.894) 16.696 25.437 ( 5.030 13.825 7.894) 16.696 26.784 ( 5.591 -3.544 15.713) 17.051 26.784 ( 5.591 3.544 15.713) 17.051 26.932 ( 9.309 -3.378 17.445) 20.060 26.932 ( 9.309 3.378 17.445) 20.060 27.681 ( 1.780 -0.873 -7.845) 8.092 27.681 ( 1.780 0.873 -7.845) 8.092 27.916 ( -2.130 -2.449 -0.765) 3.335 27.916 ( -2.130 2.449 -0.765) 3.335 28.684 ( -2.257 -1.125 4.096) 4.810 28.684 ( -2.257 1.125 4.096) 4.810 28.999 ( -10.046 -4.419 -5.540) 12.294 28.999 ( -10.046 4.419 -5.540) 12.294 30.573 ( 5.385 -4.992 -1.861) 7.575 30.573 ( 5.385 4.992 -1.861) 7.575 30.750 ( 0.492 -2.117 -5.753) 6.150 30.750 ( 0.492 2.117 -5.753) 6.150 32.312 ( 2.116 -8.069 -7.546) 11.249 32.312 ( 2.116 8.069 -7.546) 11.249 32.637 ( 5.661 -4.386 -9.386) 11.806 32.637 ( 5.661 4.386 -9.386) 11.806 33.069 ( 15.578 -0.744 -11.558) 19.412 33.069 ( 15.578 0.744 -11.558) 19.412 34.281 ( -9.620 -10.256 -32.428) 35.346 34.281 ( -9.620 10.256 -32.428) 35.346 39.599 ( 0.269 -0.560 4.143) 4.190 39.599 ( 0.269 0.560 4.143) 4.190 39.686 ( -6.988 -2.206 17.922) 19.362 39.686 ( -6.988 2.206 17.922) 19.362 40.033 ( 2.004 -3.979 0.226) 4.461 40.033 ( 2.004 3.979 0.226) 4.461 40.435 ( 22.338 -7.419 2.943) 23.721 40.435 ( 22.338 7.419 2.943) 23.721 40.804 ( 0.369 -1.945 8.653) 8.876 40.804 ( 0.369 1.945 8.653) 8.876 41.031 ( -1.115 -2.194 10.586) 10.868 41.031 ( -1.115 2.194 10.586) 10.868 41.679 ( -0.303 -12.611 7.911) 14.890 41.679 ( -0.303 12.611 7.911) 14.890 42.403 ( -0.365 -11.462 -16.650) 20.217 42.403 ( -0.365 11.462 -16.650) 20.217 ======================= Grid point 53 (23/72) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 8.970 -23.863 17.952) 31.180 1.969 ( 8.970 23.863 17.952) 31.180 2.610 ( 29.460 -13.750 7.045) 33.265 2.610 ( 29.460 13.750 7.045) 33.265 3.108 ( 6.108 -6.203 13.443) 16.015 3.108 ( 6.108 6.203 13.443) 16.015 3.272 ( 9.067 -4.610 8.835) 13.472 3.272 ( 9.067 4.610 8.835) 13.472 3.565 ( 5.687 -2.416 -1.608) 6.384 3.565 ( 5.687 2.416 -1.608) 6.384 3.732 ( 7.507 -1.292 7.602) 10.762 3.732 ( 7.507 1.292 7.602) 10.762 3.924 ( 5.286 -3.724 2.699) 7.007 3.924 ( 5.286 3.724 2.699) 7.007 4.071 ( 0.093 -6.290 4.832) 7.932 4.071 ( 0.093 6.290 4.832) 7.932 4.351 ( -7.764 -3.825 8.033) 11.808 4.351 ( -7.764 3.825 8.033) 11.808 4.686 ( 10.466 -9.060 28.647) 31.817 4.686 ( 10.466 9.060 28.647) 31.817 5.075 ( -1.767 -2.787 17.710) 18.015 5.075 ( -1.767 2.787 17.710) 18.015 5.261 ( -2.086 -6.679 13.099) 14.851 5.261 ( -2.086 6.679 13.099) 14.851 5.480 ( -17.202 -4.650 4.299) 18.331 5.480 ( -17.202 4.650 4.299) 18.331 5.714 ( -8.305 -2.967 7.149) 11.352 5.714 ( -8.305 2.967 7.149) 11.352 6.403 ( 4.989 -6.624 7.492) 11.176 6.403 ( 4.989 6.624 7.492) 11.176 6.744 ( -1.193 -2.956 2.542) 4.077 6.744 ( -1.193 2.956 2.542) 4.077 6.958 ( -9.350 -2.121 1.897) 9.773 6.958 ( -9.350 2.121 1.897) 9.773 7.075 ( -8.218 -2.752 4.068) 9.574 7.075 ( -8.218 2.752 4.068) 9.574 7.223 ( -2.215 -2.522 -0.888) 3.472 7.223 ( -2.215 2.522 -0.888) 3.472 7.294 ( 4.759 -0.669 -3.115) 5.727 7.294 ( 4.759 0.669 -3.115) 5.727 7.549 ( -6.588 -2.605 1.328) 7.208 7.549 ( -6.588 2.605 1.328) 7.208 7.799 ( 1.735 -2.811 2.060) 3.893 7.799 ( 1.735 2.811 2.060) 3.893 8.213 ( -2.415 -1.085 -5.394) 6.008 8.213 ( -2.415 1.085 -5.394) 6.008 8.308 ( -5.932 -0.950 -0.911) 6.076 8.308 ( -5.932 0.950 -0.911) 6.076 8.649 ( -4.967 -1.249 0.903) 5.201 8.649 ( -4.967 1.249 0.903) 5.201 8.946 ( 0.095 -1.967 4.145) 4.589 8.946 ( 0.095 1.967 4.145) 4.589 9.013 ( 2.720 -3.776 10.869) 11.823 9.013 ( 2.720 3.776 10.869) 11.823 9.116 ( -1.374 -2.800 13.512) 13.867 9.116 ( -1.374 2.800 13.512) 13.867 9.620 ( 9.688 -1.933 8.895) 13.293 9.620 ( 9.688 1.933 8.895) 13.293 9.882 ( 9.364 -3.915 0.101) 10.150 9.882 ( 9.364 3.915 0.101) 10.150 10.048 ( 4.886 -1.581 4.187) 6.626 10.048 ( 4.886 1.581 4.187) 6.626 10.533 ( 3.870 -4.193 -10.644) 12.078 10.533 ( 3.870 4.193 -10.644) 12.078 11.951 ( 2.276 -0.377 -0.635) 2.393 11.951 ( 2.276 0.377 -0.635) 2.393 12.058 ( -2.509 -0.139 2.299) 3.406 12.058 ( -2.509 0.139 2.299) 3.406 12.442 ( -5.423 -0.394 6.802) 8.708 12.442 ( -5.423 0.394 6.802) 8.708 12.786 ( -2.592 -2.429 -9.294) 9.949 12.786 ( -2.592 2.429 -9.294) 9.949 12.832 ( -8.056 -0.382 2.756) 8.522 12.832 ( -8.056 0.382 2.756) 8.522 13.008 ( -7.332 -1.228 -8.182) 11.055 13.008 ( -7.332 1.228 -8.182) 11.055 14.458 ( 2.353 -1.009 -3.895) 4.661 14.458 ( 2.353 1.009 -3.895) 4.661 14.676 ( -6.267 -3.152 -5.203) 8.734 14.676 ( -6.267 3.152 -5.203) 8.734 15.401 ( 1.932 -0.833 18.357) 18.477 15.401 ( 1.932 0.833 18.357) 18.477 15.494 ( -0.524 -0.998 17.321) 17.357 15.494 ( -0.524 0.998 17.321) 17.357 16.027 ( 1.713 -0.093 -13.342) 13.452 16.027 ( 1.713 0.093 -13.342) 13.452 16.068 ( -0.248 -0.091 -13.426) 13.428 16.068 ( -0.248 0.091 -13.426) 13.428 16.574 ( 4.418 -0.949 -12.717) 13.496 16.574 ( 4.418 0.949 -12.717) 13.496 16.710 ( -0.145 -1.655 -11.647) 11.764 16.710 ( -0.145 1.655 -11.647) 11.764 17.791 ( 1.950 -1.136 21.333) 21.452 17.791 ( 1.950 1.136 21.333) 21.452 17.893 ( 1.224 -0.565 20.438) 20.482 17.893 ( 1.224 0.565 20.438) 20.482 18.681 ( 1.684 -0.153 6.707) 6.917 18.681 ( 1.684 0.153 6.707) 6.917 18.739 ( 1.189 -0.296 5.830) 5.957 18.739 ( 1.189 0.296 5.830) 5.957 19.887 ( 2.378 -2.760 0.621) 3.696 19.887 ( 2.378 2.760 0.621) 3.696 20.015 ( -3.821 -3.975 1.276) 5.659 20.015 ( -3.821 3.975 1.276) 5.659 20.124 ( -2.272 -1.785 1.088) 3.088 20.124 ( -2.272 1.785 1.088) 3.088 20.522 ( 0.941 -1.497 -4.636) 4.962 20.522 ( 0.941 1.497 -4.636) 4.962 21.651 ( -1.473 -0.547 8.066) 8.217 21.651 ( -1.473 0.547 8.066) 8.217 21.683 ( -0.955 -0.719 6.981) 7.083 21.683 ( -0.955 0.719 6.981) 7.083 22.804 ( 0.740 -0.214 -9.978) 10.007 22.804 ( 0.740 0.214 -9.978) 10.007 22.841 ( -0.783 -0.288 -8.606) 8.646 22.841 ( -0.783 0.288 -8.606) 8.646 24.159 ( 0.307 -0.268 -25.529) 25.533 24.159 ( 0.307 0.268 -25.529) 25.533 24.202 ( 0.272 -0.321 -25.381) 25.385 24.202 ( 0.272 0.321 -25.381) 25.385 24.568 ( 0.853 -0.917 34.338) 34.361 24.568 ( 0.853 0.917 34.338) 34.361 24.709 ( -5.622 -2.163 37.397) 37.879 24.709 ( -5.622 2.163 37.397) 37.879 25.317 ( 0.650 -0.416 -6.041) 6.090 25.317 ( 0.650 0.416 -6.041) 6.090 25.476 ( -0.127 -6.334 -9.431) 11.362 25.476 ( -0.127 6.334 -9.431) 11.362 26.866 ( 3.029 -1.596 15.446) 15.821 26.866 ( 3.029 1.596 15.446) 15.821 27.120 ( 7.272 -5.223 17.645) 19.786 27.120 ( 7.272 5.223 17.645) 19.786 27.727 ( 2.621 -0.760 -6.080) 6.664 27.727 ( 2.621 0.760 -6.080) 6.664 27.861 ( -3.100 -0.798 -1.819) 3.682 27.861 ( -3.100 0.798 -1.819) 3.682 28.649 ( -0.746 -1.468 0.626) 1.762 28.649 ( -0.746 1.468 0.626) 1.762 28.814 ( -7.522 -2.824 -2.283) 8.353 28.814 ( -7.522 2.824 -2.283) 8.353 30.652 ( 2.388 -3.496 -3.384) 5.420 30.652 ( 2.388 3.496 -3.384) 5.420 30.760 ( 0.421 -1.236 -6.812) 6.936 30.760 ( 0.421 1.236 -6.812) 6.936 32.423 ( 7.738 -12.027 -8.064) 16.418 32.423 ( 7.738 12.027 -8.064) 16.418 32.670 ( -1.546 -11.355 -9.002) 14.573 32.670 ( -1.546 11.355 -9.002) 14.573 33.377 ( 12.171 -3.580 -13.892) 18.813 33.377 ( 12.171 3.580 -13.892) 18.813 34.087 ( -8.280 -5.001 -23.474) 25.389 34.087 ( -8.280 5.001 -23.474) 25.389 39.604 ( -0.844 -0.560 9.104) 9.160 39.604 ( -0.844 0.560 9.104) 9.160 39.607 ( -0.791 -0.374 9.156) 9.198 39.607 ( -0.791 0.374 9.156) 9.198 40.070 ( 1.597 -2.176 -1.199) 2.954 40.070 ( 1.597 2.176 -1.199) 2.954 40.722 ( 3.470 -0.502 1.617) 3.861 40.722 ( 3.470 0.502 1.617) 3.861 40.891 ( 9.858 -1.706 4.264) 10.875 40.891 ( 9.858 1.706 4.264) 10.875 41.012 ( -0.447 -1.551 8.922) 9.067 41.012 ( -0.447 1.551 8.922) 9.067 41.650 ( -2.471 -10.071 4.141) 11.166 41.650 ( -2.471 10.071 4.141) 11.166 42.395 ( -0.398 -5.777 -12.264) 13.563 42.395 ( -0.398 5.777 -12.264) 13.563 ======================= Grid point 55 (24/72) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 0.000 0.000 18.602) 18.602 2.077 ( 0.000 0.000 18.602) 18.602 2.902 ( 0.000 -0.000 -2.459) 2.459 2.902 ( 0.000 0.000 -2.459) 2.459 3.280 ( 0.000 0.000 16.460) 16.460 3.280 ( 0.000 0.000 16.460) 16.460 3.394 ( 0.000 0.000 5.555) 5.555 3.394 ( 0.000 0.000 5.555) 5.555 3.709 ( 0.000 0.000 -4.141) 4.141 3.709 ( 0.000 0.000 -4.141) 4.141 3.775 ( 0.000 -0.000 -10.357) 10.357 3.775 ( 0.000 0.000 -10.357) 10.357 3.918 ( 0.000 -0.000 -6.098) 6.098 3.918 ( 0.000 0.000 -6.098) 6.098 3.921 ( -0.000 -0.000 11.085) 11.085 3.921 ( -0.000 0.000 11.085) 11.085 4.204 ( 0.000 0.000 5.296) 5.296 4.204 ( 0.000 0.000 5.296) 5.296 4.866 ( 0.000 0.000 28.647) 28.647 4.866 ( -0.000 0.000 28.647) 28.647 5.139 ( -0.000 0.000 13.213) 13.213 5.139 ( 0.000 0.000 13.213) 13.213 5.190 ( 0.000 -0.000 10.034) 10.034 5.190 ( 0.000 0.000 10.034) 10.034 5.441 ( 0.000 0.000 39.942) 39.942 5.441 ( 0.000 0.000 39.942) 39.942 5.590 ( -0.000 0.000 5.107) 5.107 5.590 ( 0.000 -0.000 5.107) 5.107 6.361 ( 0.000 0.000 17.591) 17.591 6.361 ( 0.000 0.000 17.591) 17.591 6.743 ( -0.000 0.000 3.138) 3.138 6.743 ( 0.000 0.000 3.138) 3.138 6.803 ( 0.000 -0.000 0.673) 0.673 6.803 ( 0.000 0.000 0.673) 0.673 6.997 ( 0.000 -0.000 -1.064) 1.064 6.997 ( 0.000 -0.000 -1.064) 1.064 7.232 ( 0.000 -0.000 -0.977) 0.977 7.232 ( 0.000 0.000 -0.977) 0.977 7.323 ( 0.000 -0.000 -1.061) 1.061 7.323 ( 0.000 0.000 -1.061) 1.061 7.495 ( 0.000 0.000 -3.365) 3.365 7.495 ( 0.000 0.000 -3.365) 3.365 7.861 ( 0.000 0.000 5.287) 5.287 7.861 ( 0.000 0.000 5.287) 5.287 8.167 ( 0.000 0.000 -8.796) 8.796 8.167 ( 0.000 0.000 -8.796) 8.796 8.228 ( -0.000 -0.000 -2.052) 2.052 8.228 ( 0.000 0.000 -2.052) 2.052 8.603 ( 0.000 0.000 1.423) 1.423 8.603 ( 0.000 0.000 1.423) 1.423 8.948 ( 0.000 0.000 0.786) 0.786 8.948 ( 0.000 0.000 0.786) 0.786 9.001 ( 0.000 0.000 12.281) 12.281 9.001 ( 0.000 0.000 12.281) 12.281 9.146 ( 0.000 0.000 13.915) 13.915 9.146 ( 0.000 0.000 13.915) 13.915 9.708 ( 0.000 0.000 7.006) 7.006 9.708 ( 0.000 0.000 7.006) 7.006 10.011 ( -0.000 0.000 -0.932) 0.932 10.011 ( 0.000 0.000 -0.932) 0.932 10.088 ( 0.000 0.000 3.638) 3.638 10.088 ( 0.000 0.000 3.638) 3.638 10.564 ( 0.000 0.000 -9.721) 9.721 10.564 ( 0.000 0.000 -9.721) 9.721 12.001 ( -0.000 0.000 -2.595) 2.595 12.001 ( 0.000 0.000 -2.595) 2.595 12.009 ( -0.000 0.000 4.689) 4.689 12.009 ( 0.000 0.000 4.689) 4.689 12.381 ( 0.000 0.000 7.990) 7.990 12.381 ( 0.000 0.000 7.990) 7.990 12.736 ( 0.000 -0.000 3.910) 3.910 12.736 ( 0.000 0.000 3.910) 3.910 12.794 ( 0.000 0.000 -8.582) 8.582 12.794 ( -0.000 0.000 -8.582) 8.582 12.902 ( 0.000 0.000 -7.834) 7.834 12.902 ( 0.000 0.000 -7.834) 7.834 14.531 ( -0.000 0.000 -4.938) 4.938 14.531 ( 0.000 0.000 -4.938) 4.938 14.557 ( -0.000 -0.000 -4.303) 4.303 14.557 ( 0.000 -0.000 -4.303) 4.303 15.424 ( 0.000 0.000 17.595) 17.595 15.424 ( 0.000 0.000 17.595) 17.595 15.486 ( -0.000 0.000 17.185) 17.185 15.486 ( 0.000 0.000 17.185) 17.185 16.053 ( -0.000 0.000 -12.643) 12.643 16.053 ( 0.000 0.000 -12.643) 12.643 16.058 ( -0.000 0.000 -14.050) 14.050 16.058 ( 0.000 0.000 -14.050) 14.050 16.628 ( 0.000 0.000 -11.690) 11.690 16.628 ( 0.000 0.000 -11.690) 11.690 16.699 ( 0.000 0.000 -11.910) 11.910 16.699 ( 0.000 0.000 -11.910) 11.910 17.818 ( 0.000 0.000 19.489) 19.489 17.818 ( 0.000 0.000 19.489) 19.489 17.905 ( 0.000 0.000 19.731) 19.731 17.905 ( 0.000 0.000 19.731) 19.731 18.699 ( 0.000 0.000 7.145) 7.145 18.699 ( 0.000 0.000 7.145) 7.145 18.752 ( 0.000 0.000 5.705) 5.705 18.752 ( 0.000 0.000 5.705) 5.705 19.940 ( 0.000 -0.000 -0.271) 0.271 19.940 ( 0.000 0.000 -0.271) 0.271 19.945 ( -0.000 -0.000 1.336) 1.336 19.945 ( -0.000 0.000 1.336) 1.336 20.103 ( 0.000 -0.000 3.243) 3.243 20.103 ( 0.000 0.000 3.243) 3.243 20.532 ( 0.000 0.000 -4.645) 4.645 20.532 ( 0.000 0.000 -4.645) 4.645 21.632 ( 0.000 0.000 8.527) 8.527 21.632 ( 0.000 0.000 8.527) 8.527 21.674 ( 0.000 -0.000 6.774) 6.774 21.674 ( 0.000 0.000 6.774) 6.774 22.816 ( -0.000 0.000 -8.642) 8.642 22.816 ( -0.000 0.000 -8.642) 8.642 22.829 ( 0.000 0.000 -10.142) 10.142 22.829 ( 0.000 0.000 -10.142) 10.142 24.162 ( 0.000 0.000 -25.847) 25.847 24.162 ( 0.000 0.000 -25.847) 25.847 24.205 ( 0.000 0.000 -25.090) 25.090 24.205 ( 0.000 0.000 -25.090) 25.090 24.581 ( 0.000 0.000 34.604) 34.604 24.581 ( 0.000 0.000 34.604) 34.604 24.650 ( 0.000 0.000 36.345) 36.345 24.650 ( 0.000 0.000 36.345) 36.345 25.326 ( 0.000 0.000 -4.506) 4.506 25.326 ( 0.000 0.000 -4.506) 4.506 25.468 ( 0.000 -0.000 -14.565) 14.565 25.468 ( 0.000 0.000 -14.565) 14.565 26.899 ( 0.000 0.000 15.755) 15.755 26.899 ( 0.000 0.000 15.755) 15.755 27.194 ( 0.000 -0.000 17.256) 17.256 27.194 ( 0.000 0.000 17.256) 17.256 27.770 ( 0.000 0.000 -4.323) 4.323 27.770 ( 0.000 0.000 -4.323) 4.323 27.812 ( -0.000 0.000 -3.476) 3.476 27.812 ( 0.000 0.000 -3.476) 3.476 28.650 ( 0.000 0.000 -2.077) 2.077 28.650 ( 0.000 0.000 -2.077) 2.077 28.728 ( 0.000 0.000 0.220) 0.220 28.728 ( 0.000 0.000 0.220) 0.220 30.675 ( 0.000 0.000 -3.650) 3.650 30.675 ( 0.000 0.000 -3.650) 3.650 30.764 ( 0.000 0.000 -7.319) 7.319 30.764 ( 0.000 0.000 -7.319) 7.319 32.555 ( -0.000 -0.000 -8.000) 8.000 32.555 ( 0.000 0.000 -8.000) 8.000 32.606 ( 0.000 -0.000 -9.525) 9.525 32.606 ( 0.000 0.000 -9.525) 9.525 33.504 ( 0.000 0.000 -14.662) 14.662 33.504 ( 0.000 0.000 -14.662) 14.662 33.996 ( 0.000 0.000 -19.820) 19.820 33.996 ( 0.000 0.000 -19.820) 19.820 39.588 ( 0.000 0.000 13.213) 13.213 39.588 ( 0.000 0.000 13.213) 13.213 39.609 ( 0.000 0.000 3.621) 3.621 39.609 ( 0.000 0.000 3.621) 3.621 40.088 ( 0.000 0.000 -1.548) 1.548 40.088 ( 0.000 0.000 -1.548) 1.548 40.738 ( 0.000 0.000 3.842) 3.842 40.738 ( 0.000 0.000 3.842) 3.842 40.984 ( -0.000 -0.000 7.681) 7.681 40.984 ( 0.000 0.000 7.681) 7.681 41.039 ( 0.000 0.000 2.451) 2.451 41.039 ( 0.000 0.000 2.451) 2.451 41.614 ( 0.000 0.000 1.352) 1.352 41.614 ( 0.000 0.000 1.352) 1.352 42.391 ( 0.000 0.000 -10.241) 10.241 42.391 ( 0.000 0.000 -10.241) 10.241 ======================= Grid point 70 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.000 0.000 42.778) 42.778 2.025 ( 0.000 0.000 45.666) 45.666 2.638 ( 0.000 0.000 8.115) 8.115 2.853 ( 0.000 0.000 3.154) 3.154 2.895 ( 0.000 0.000 23.415) 23.415 3.206 ( 0.000 0.000 14.023) 14.023 3.291 ( 0.000 0.000 19.547) 19.547 3.487 ( 0.000 0.000 4.027) 4.027 3.651 ( 0.000 0.000 27.988) 27.988 3.673 ( 0.000 0.000 5.092) 5.092 3.883 ( 0.000 0.000 2.133) 2.133 3.983 ( 0.000 0.000 16.685) 16.685 4.204 ( 0.000 0.000 3.901) 3.901 4.217 ( 0.000 0.000 50.182) 50.182 4.354 ( 0.000 0.000 8.239) 8.239 4.519 ( 0.000 0.000 32.064) 32.064 4.625 ( 0.000 0.000 24.278) 24.278 4.911 ( 0.000 0.000 55.370) 55.370 4.943 ( 0.000 0.000 23.671) 23.671 5.106 ( 0.000 0.000 31.858) 31.858 5.237 ( 0.000 0.000 7.750) 7.750 5.413 ( 0.000 0.000 -10.732) 10.732 5.584 ( 0.000 0.000 8.098) 8.098 5.681 ( 0.000 0.000 -5.376) 5.376 5.756 ( 0.000 0.000 -2.246) 2.246 5.813 ( 0.000 0.000 -3.825) 3.825 5.838 ( 0.000 0.000 34.712) 34.712 6.200 ( 0.000 0.000 -10.869) 10.869 6.252 ( 0.000 0.000 6.008) 6.008 6.284 ( 0.000 0.000 -9.084) 9.084 6.503 ( 0.000 0.000 -3.499) 3.499 6.582 ( 0.000 0.000 -6.586) 6.586 6.639 ( 0.000 0.000 -10.278) 10.278 6.766 ( 0.000 0.000 9.664) 9.664 6.912 ( 0.000 0.000 -23.697) 23.697 6.919 ( 0.000 0.000 0.055) 0.055 6.982 ( 0.000 0.000 -7.709) 7.709 7.270 ( 0.000 0.000 -12.513) 12.513 7.339 ( 0.000 0.000 -16.858) 16.858 7.534 ( 0.000 0.000 -19.421) 19.421 7.908 ( 0.000 0.000 0.162) 0.162 8.009 ( 0.000 0.000 0.229) 0.229 8.075 ( 0.000 0.000 1.292) 1.292 8.293 ( 0.000 0.000 -3.525) 3.525 8.394 ( 0.000 0.000 0.358) 0.358 8.398 ( 0.000 0.000 -1.988) 1.988 8.662 ( 0.000 0.000 11.681) 11.681 8.714 ( 0.000 0.000 -0.388) 0.388 8.970 ( 0.000 0.000 0.451) 0.451 9.009 ( 0.000 0.000 22.280) 22.280 9.012 ( 0.000 0.000 1.074) 1.074 9.026 ( 0.000 0.000 1.215) 1.215 9.163 ( 0.000 0.000 8.337) 8.337 9.168 ( 0.000 0.000 11.745) 11.745 9.217 ( 0.000 0.000 14.756) 14.756 9.485 ( 0.000 0.000 27.056) 27.056 9.703 ( 0.000 0.000 30.899) 30.899 9.720 ( 0.000 0.000 40.062) 40.062 9.779 ( 0.000 0.000 7.803) 7.803 9.805 ( 0.000 0.000 27.115) 27.115 9.833 ( 0.000 0.000 5.273) 5.273 9.971 ( 0.000 0.000 8.818) 8.818 10.057 ( 0.000 0.000 -0.398) 0.398 10.066 ( 0.000 0.000 10.525) 10.525 11.769 ( 0.000 0.000 -8.563) 8.563 11.908 ( 0.000 0.000 1.039) 1.039 12.129 ( 0.000 0.000 -7.009) 7.009 12.259 ( 0.000 0.000 8.242) 8.242 12.579 ( 0.000 0.000 -9.000) 9.000 12.672 ( 0.000 0.000 4.136) 4.136 12.776 ( 0.000 0.000 -6.601) 6.601 12.791 ( 0.000 0.000 6.632) 6.632 12.946 ( 0.000 0.000 -13.469) 13.469 12.987 ( 0.000 0.000 -5.588) 5.588 13.047 ( 0.000 0.000 -1.119) 1.119 13.144 ( 0.000 0.000 0.191) 0.191 14.273 ( 0.000 0.000 -9.375) 9.375 14.402 ( 0.000 0.000 -7.557) 7.557 14.575 ( 0.000 0.000 -10.509) 10.509 14.693 ( 0.000 0.000 -6.907) 6.907 15.679 ( 0.000 0.000 -13.463) 13.463 15.681 ( 0.000 0.000 -14.322) 14.322 15.790 ( 0.000 0.000 -13.066) 13.066 15.806 ( 0.000 0.000 -13.277) 13.277 15.868 ( 0.000 0.000 22.736) 22.736 15.892 ( 0.000 0.000 32.808) 32.808 16.004 ( 0.000 0.000 31.246) 31.246 16.009 ( 0.000 0.000 24.501) 24.501 16.188 ( 0.000 0.000 1.192) 1.192 16.251 ( 0.000 0.000 -6.124) 6.124 16.260 ( 0.000 0.000 -10.036) 10.036 16.530 ( 0.000 0.000 -11.366) 11.366 18.287 ( 0.000 0.000 26.350) 26.350 18.343 ( 0.000 0.000 32.919) 32.919 18.380 ( 0.000 0.000 27.978) 27.978 18.568 ( 0.000 0.000 30.967) 30.967 18.656 ( 0.000 0.000 0.995) 0.995 18.748 ( 0.000 0.000 2.575) 2.575 18.762 ( 0.000 0.000 3.881) 3.881 18.843 ( 0.000 0.000 4.564) 4.564 19.821 ( 0.000 0.000 2.809) 2.809 19.962 ( 0.000 0.000 0.883) 0.883 19.977 ( 0.000 0.000 0.707) 0.707 20.063 ( 0.000 0.000 4.960) 4.960 20.210 ( 0.000 0.000 -2.841) 2.841 20.268 ( 0.000 0.000 3.483) 3.483 20.355 ( 0.000 0.000 -3.292) 3.292 20.445 ( 0.000 0.000 -6.354) 6.354 21.874 ( 0.000 0.000 14.088) 14.088 21.922 ( 0.000 0.000 14.992) 14.992 21.927 ( 0.000 0.000 13.085) 13.085 21.951 ( 0.000 0.000 13.061) 13.061 22.566 ( 0.000 0.000 -10.257) 10.257 22.579 ( 0.000 0.000 -9.622) 9.622 22.669 ( 0.000 0.000 -7.966) 7.966 22.773 ( 0.000 0.000 -7.684) 7.684 23.409 ( 0.000 0.000 -44.048) 44.048 23.437 ( 0.000 0.000 -43.422) 43.422 23.474 ( 0.000 0.000 -43.633) 43.633 23.493 ( 0.000 0.000 -42.411) 42.411 24.917 ( 0.000 0.000 -9.855) 9.855 24.951 ( 0.000 0.000 -5.607) 5.607 25.097 ( 0.000 0.000 -7.950) 7.950 25.150 ( 0.000 0.000 -4.986) 4.986 25.337 ( 0.000 0.000 43.715) 43.715 25.486 ( 0.000 0.000 47.962) 47.962 25.854 ( 0.000 0.000 45.062) 45.062 26.962 ( 0.000 0.000 12.496) 12.496 27.036 ( 0.000 0.000 15.133) 15.133 27.085 ( 0.000 0.000 12.030) 12.030 27.183 ( 0.000 0.000 12.958) 12.958 27.233 ( 0.000 0.000 3.161) 3.161 27.407 ( 0.000 0.000 -18.559) 18.559 27.441 ( 0.000 0.000 -14.983) 14.983 27.590 ( 0.000 0.000 -18.973) 18.973 27.858 ( 0.000 0.000 -22.037) 22.037 28.790 ( 0.000 0.000 8.155) 8.155 28.986 ( 0.000 0.000 -3.041) 3.041 29.004 ( 0.000 0.000 21.170) 21.170 29.513 ( 0.000 0.000 19.794) 19.794 30.455 ( 0.000 0.000 -0.135) 0.135 30.516 ( 0.000 0.000 -4.817) 4.817 30.640 ( 0.000 0.000 0.474) 0.474 30.668 ( 0.000 0.000 -3.837) 3.837 32.052 ( 0.000 0.000 -13.009) 13.009 32.137 ( 0.000 0.000 -16.230) 16.230 32.312 ( 0.000 0.000 -12.151) 12.151 32.324 ( 0.000 0.000 -15.637) 15.637 32.426 ( 0.000 0.000 -15.165) 15.165 32.790 ( 0.000 0.000 -17.648) 17.648 33.112 ( 0.000 0.000 -23.729) 23.729 33.832 ( 0.000 0.000 -40.613) 40.613 39.641 ( 0.000 0.000 1.719) 1.719 39.709 ( 0.000 0.000 3.801) 3.801 39.812 ( 0.000 0.000 -5.744) 5.744 39.959 ( 0.000 0.000 2.096) 2.096 39.972 ( 0.000 0.000 -5.447) 5.447 40.166 ( 0.000 0.000 2.457) 2.457 40.298 ( 0.000 0.000 28.491) 28.491 40.976 ( 0.000 0.000 13.240) 13.240 40.987 ( 0.000 0.000 5.772) 5.772 41.090 ( 0.000 0.000 9.517) 9.517 41.267 ( 0.000 0.000 19.586) 19.586 41.405 ( 0.000 0.000 17.515) 17.515 41.408 ( 0.000 0.000 -18.781) 18.781 41.628 ( 0.000 0.000 9.849) 9.849 42.225 ( 0.000 0.000 -25.742) 25.742 42.442 ( 0.000 0.000 2.889) 2.889 ======================= Grid point 71 (26/72) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 18.531 0.000 39.463) 43.597 2.139 ( 12.267 0.000 35.390) 37.456 2.752 ( -3.210 0.000 11.083) 11.538 2.796 ( 13.995 0.000 6.944) 15.623 2.905 ( 5.920 0.000 3.371) 6.813 3.391 ( 6.519 0.000 8.987) 11.102 3.447 ( 9.366 0.000 17.126) 19.520 3.512 ( -0.226 0.000 0.687) 0.724 3.655 ( 2.420 0.000 7.781) 8.149 3.678 ( -5.317 0.000 7.409) 9.119 3.726 ( -3.973 0.000 13.047) 13.639 3.911 ( -6.091 0.000 10.528) 12.163 4.048 ( -18.795 0.000 10.773) 21.664 4.219 ( 2.116 0.000 28.045) 28.125 4.281 ( -16.262 0.000 15.166) 22.237 4.486 ( 15.768 0.000 44.559) 47.267 4.519 ( -7.803 0.000 19.792) 21.274 4.759 ( -11.286 0.000 22.433) 25.112 5.080 ( 5.680 0.000 48.584) 48.915 5.254 ( 6.910 0.000 19.367) 20.563 5.328 ( 7.019 0.000 11.506) 13.478 5.463 ( 2.410 0.000 3.520) 4.266 5.567 ( -7.723 0.000 -5.686) 9.590 5.567 ( -0.394 0.000 11.355) 11.361 5.680 ( -6.601 0.000 -1.823) 6.848 5.796 ( 6.500 0.000 -0.408) 6.513 5.962 ( -9.474 0.000 9.678) 13.544 6.061 ( -8.659 0.000 8.718) 12.287 6.158 ( 13.586 0.000 13.949) 19.472 6.448 ( 14.315 0.000 22.101) 26.332 6.572 ( 4.667 0.000 -4.824) 6.712 6.722 ( 8.937 0.000 -4.672) 10.084 6.805 ( 10.286 0.000 -15.825) 18.874 6.897 ( -4.521 0.000 -7.470) 8.731 6.958 ( 13.670 0.000 -3.257) 14.053 6.970 ( 0.878 0.000 -4.195) 4.286 6.992 ( 8.653 0.000 -19.361) 21.207 7.262 ( -0.268 0.000 -11.963) 11.966 7.342 ( 1.828 0.000 -10.808) 10.962 7.421 ( -7.874 0.000 -9.337) 12.214 7.854 ( -5.180 0.000 2.117) 5.596 7.941 ( -5.880 0.000 -0.286) 5.887 8.046 ( -4.464 0.000 2.833) 5.287 8.234 ( -6.217 0.000 -1.739) 6.455 8.243 ( -28.317 0.000 22.420) 36.118 8.311 ( -12.034 0.000 3.286) 12.474 8.401 ( -0.255 0.000 0.312) 0.403 8.508 ( -18.407 0.000 15.846) 24.289 8.743 ( 1.864 0.000 -2.778) 3.345 8.851 ( -7.496 0.000 4.142) 8.564 8.857 ( -9.380 0.000 4.860) 10.565 9.024 ( -1.675 0.000 3.908) 4.252 9.324 ( 5.269 0.000 29.462) 29.930 9.420 ( 14.658 0.000 6.413) 15.999 9.476 ( 12.687 0.000 13.518) 18.539 9.570 ( -7.779 0.000 24.534) 25.737 9.620 ( 4.645 0.000 25.321) 25.743 9.666 ( -10.072 0.000 22.245) 24.419 9.880 ( 8.985 0.000 4.688) 10.135 9.894 ( 13.674 0.000 -13.296) 19.072 9.979 ( 10.690 0.000 21.311) 23.842 10.034 ( 5.785 0.000 10.212) 11.737 10.128 ( 4.733 0.000 1.373) 4.928 10.210 ( 9.096 0.000 11.032) 14.299 11.775 ( 0.837 0.000 -8.654) 8.694 11.937 ( 2.761 0.000 1.077) 2.964 12.091 ( -3.511 0.000 -6.522) 7.407 12.238 ( -2.057 0.000 7.723) 7.992 12.554 ( -1.916 0.000 -9.024) 9.225 12.625 ( -3.781 0.000 2.875) 4.750 12.700 ( -5.482 0.000 3.047) 6.272 12.761 ( -3.115 0.000 -1.031) 3.281 12.868 ( -7.079 0.000 -11.919) 13.863 12.952 ( -3.455 0.000 -4.250) 5.477 13.007 ( -3.824 0.000 0.343) 3.839 13.090 ( -5.098 0.000 1.094) 5.214 14.296 ( 1.930 0.000 -9.843) 10.031 14.373 ( -2.518 0.000 -7.763) 8.161 14.586 ( 0.230 0.000 -11.211) 11.214 14.613 ( -7.131 0.000 -7.040) 10.021 15.678 ( 0.111 0.000 -12.271) 12.272 15.687 ( 0.783 0.000 -13.729) 13.751 15.774 ( -1.303 0.000 -10.904) 10.981 15.794 ( -0.951 0.000 -12.068) 12.106 15.898 ( 2.581 0.000 24.547) 24.682 15.908 ( 1.490 0.000 30.461) 30.497 16.005 ( -0.009 0.000 29.964) 29.964 16.017 ( 0.378 0.000 25.819) 25.821 16.230 ( 3.779 0.000 -1.568) 4.091 16.292 ( 3.046 0.000 -10.444) 10.879 16.300 ( 4.221 0.000 -8.514) 9.503 16.530 ( -0.229 0.000 -11.203) 11.205 18.297 ( 0.944 0.000 25.979) 25.996 18.314 ( -2.164 0.000 31.205) 31.280 18.382 ( 0.106 0.000 27.308) 27.308 18.467 ( -6.746 0.000 30.070) 30.818 18.692 ( 2.829 0.000 0.438) 2.862 18.762 ( 1.310 0.000 2.222) 2.579 18.803 ( 2.487 0.000 5.927) 6.428 18.851 ( 0.646 0.000 4.702) 4.747 19.831 ( 0.982 0.000 2.573) 2.754 19.963 ( -1.225 0.000 0.816) 1.472 19.987 ( 2.193 0.000 0.525) 2.255 20.068 ( 0.433 0.000 4.726) 4.745 20.187 ( -2.106 0.000 -1.649) 2.674 20.238 ( -2.593 0.000 2.582) 3.659 20.377 ( 1.819 0.000 -2.885) 3.411 20.445 ( 0.059 0.000 -6.088) 6.088 21.882 ( 0.557 0.000 13.697) 13.709 21.909 ( -1.266 0.000 15.083) 15.137 21.921 ( -0.598 0.000 13.366) 13.379 21.933 ( -1.707 0.000 13.591) 13.698 22.576 ( 0.939 0.000 -10.079) 10.123 22.586 ( 0.790 0.000 -9.351) 9.385 22.663 ( -0.558 0.000 -8.165) 8.184 22.746 ( -2.264 0.000 -7.419) 7.757 23.427 ( 1.474 0.000 -44.493) 44.518 23.433 ( -0.352 0.000 -43.808) 43.810 23.478 ( 0.317 0.000 -43.719) 43.720 23.483 ( -0.929 0.000 -42.707) 42.717 24.950 ( 3.068 0.000 -7.894) 8.469 24.953 ( 0.273 0.000 -4.813) 4.821 25.111 ( -3.201 0.000 -2.315) 3.950 25.112 ( 1.212 0.000 -7.755) 7.849 25.366 ( 2.554 0.000 40.853) 40.933 25.502 ( 1.830 0.000 47.257) 47.293 25.791 ( -5.668 0.000 44.167) 44.529 26.577 ( -28.465 0.000 26.375) 38.806 27.004 ( 3.744 0.000 11.684) 12.270 27.101 ( 1.504 0.000 11.691) 11.788 27.235 ( 5.645 0.000 12.708) 13.905 27.428 ( 2.087 0.000 -17.412) 17.536 27.461 ( 8.257 0.000 -0.374) 8.265 27.479 ( 3.358 0.000 -14.188) 14.580 27.613 ( 1.832 0.000 -18.278) 18.370 27.827 ( -3.130 0.000 -18.019) 18.289 28.784 ( -0.592 0.000 8.348) 8.369 28.940 ( -5.423 0.000 19.070) 19.826 28.940 ( -4.135 0.000 -0.035) 4.135 29.203 ( -20.332 0.000 26.691) 33.553 30.479 ( 2.056 0.000 -0.534) 2.124 30.577 ( 2.977 0.000 -8.707) 9.202 30.628 ( -1.120 0.000 -0.153) 1.130 30.668 ( -0.131 0.000 -4.858) 4.860 31.976 ( -0.791 0.000 -12.008) 12.034 32.296 ( -1.672 0.000 -12.235) 12.349 32.348 ( 5.779 0.000 -16.664) 17.638 32.396 ( 17.339 0.000 -18.489) 25.347 32.800 ( 4.185 0.000 -19.720) 20.160 32.834 ( 23.602 0.000 -26.461) 35.458 33.101 ( -1.124 0.000 -23.550) 23.577 33.762 ( -6.441 0.000 -37.886) 38.430 39.649 ( 0.713 0.000 2.178) 2.292 39.709 ( -0.077 0.000 4.057) 4.058 39.849 ( 2.812 0.000 -1.155) 3.040 39.915 ( -3.522 0.000 4.881) 6.019 39.968 ( 0.912 0.000 1.007) 1.358 40.144 ( -2.090 0.000 1.151) 2.386 40.464 ( 13.594 0.000 14.215) 19.669 40.827 ( -10.028 0.000 6.791) 12.111 41.015 ( 2.439 0.000 6.814) 7.237 41.105 ( 1.427 0.000 8.887) 9.001 41.145 ( -5.534 0.000 13.200) 14.313 41.393 ( -0.865 0.000 17.383) 17.405 41.548 ( 4.191 0.000 -9.755) 10.617 41.612 ( -1.723 0.000 10.590) 10.729 42.252 ( 2.359 0.000 -21.799) 21.926 42.438 ( -0.526 0.000 0.236) 0.577 ======================= Grid point 72 (27/72) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 28.501 0.000 32.582) 43.289 2.510 ( 23.228 0.000 12.136) 26.208 2.847 ( 12.273 0.000 -2.129) 12.457 3.086 ( 10.848 0.000 0.918) 10.887 3.159 ( 17.561 0.000 3.020) 17.818 3.316 ( -13.918 0.000 -3.492) 14.350 3.415 ( -10.869 0.000 22.612) 25.088 3.521 ( 6.019 0.000 0.616) 6.050 3.568 ( -16.735 0.000 11.070) 20.065 3.578 ( -4.326 0.000 -5.600) 7.077 3.744 ( -2.073 0.000 12.217) 12.392 3.754 ( -1.429 0.000 4.483) 4.705 3.859 ( 5.157 0.000 8.848) 10.241 3.935 ( -17.402 0.000 1.069) 17.435 4.168 ( -6.886 0.000 6.386) 9.391 4.246 ( -18.315 0.000 11.778) 21.775 4.753 ( 9.602 0.000 17.212) 19.709 4.819 ( -2.797 0.000 42.435) 42.527 4.950 ( -6.581 0.000 37.898) 38.465 5.250 ( -8.168 0.000 5.611) 9.910 5.450 ( 6.279 0.000 12.876) 14.325 5.502 ( 14.618 0.000 18.217) 23.357 5.560 ( 6.400 0.000 9.375) 11.351 5.608 ( 4.153 0.000 22.113) 22.500 5.667 ( 1.043 0.000 0.349) 1.100 5.769 ( -7.520 0.000 14.971) 16.753 5.856 ( -8.056 0.000 10.465) 13.206 6.085 ( 17.722 0.000 19.167) 26.105 6.577 ( 20.752 0.000 25.999) 33.266 6.651 ( 1.317 0.000 0.580) 1.438 6.748 ( -2.105 0.000 -4.678) 5.130 6.751 ( 12.628 0.000 17.480) 21.564 6.856 ( -1.105 0.000 -5.020) 5.140 6.984 ( 2.204 0.000 -6.433) 6.800 6.987 ( 9.300 0.000 -9.437) 13.249 7.133 ( 2.347 0.000 -8.756) 9.065 7.208 ( 9.412 0.000 -11.192) 14.624 7.281 ( -4.872 0.000 3.059) 5.753 7.316 ( 4.392 0.000 -4.516) 6.300 7.403 ( -12.656 0.000 21.662) 25.088 7.645 ( -11.155 0.000 12.163) 16.504 7.717 ( -6.017 0.000 4.549) 7.543 7.866 ( 1.468 0.000 -0.795) 1.669 7.932 ( -17.009 0.000 12.234) 20.952 8.044 ( -12.239 0.000 3.630) 12.766 8.059 ( -0.608 0.000 -8.738) 8.759 8.317 ( -7.467 0.000 1.313) 7.581 8.328 ( -8.777 0.000 3.301) 9.377 8.700 ( -3.793 0.000 8.078) 8.924 8.751 ( -3.404 0.000 9.080) 9.697 8.808 ( 4.119 0.000 -1.762) 4.480 8.975 ( -3.249 0.000 1.008) 3.402 9.359 ( -6.581 0.000 19.176) 20.274 9.421 ( 6.888 0.000 27.189) 28.048 9.451 ( -9.870 0.000 19.826) 22.147 9.618 ( 2.912 0.000 24.104) 24.280 9.800 ( 16.380 0.000 1.368) 16.437 9.803 ( 9.405 0.000 3.512) 10.039 9.999 ( -3.526 0.000 19.362) 19.680 10.094 ( 11.092 0.000 -0.502) 11.103 10.095 ( 5.737 0.000 2.273) 6.171 10.177 ( 3.498 0.000 -4.484) 5.687 10.179 ( -0.411 0.000 2.391) 2.426 10.334 ( 2.423 0.000 5.430) 5.946 11.813 ( 3.062 0.000 -9.127) 9.627 12.001 ( -5.237 0.000 -6.995) 8.738 12.006 ( 3.766 0.000 0.183) 3.770 12.177 ( -4.040 0.000 4.810) 6.282 12.535 ( 0.693 0.000 -7.786) 7.817 12.576 ( -0.415 0.000 5.268) 5.284 12.606 ( -3.333 0.000 6.610) 7.403 12.695 ( -2.247 0.000 -2.194) 3.141 12.709 ( -7.602 0.000 -8.459) 11.373 12.854 ( -6.111 0.000 -4.316) 7.482 12.916 ( -4.279 0.000 3.999) 5.857 12.966 ( -6.340 0.000 3.580) 7.281 14.327 ( -1.360 0.000 -8.064) 8.178 14.349 ( 3.627 0.000 -10.456) 11.067 14.455 ( -7.567 0.000 -7.519) 10.668 14.551 ( -3.924 0.000 -11.924) 12.553 15.690 ( 1.091 0.000 -10.071) 10.130 15.714 ( 1.686 0.000 -12.251) 12.366 15.747 ( -1.403 0.000 -8.631) 8.745 15.773 ( -1.098 0.000 -10.314) 10.372 15.944 ( 1.934 0.000 27.729) 27.796 15.953 ( 2.563 0.000 26.138) 26.264 15.999 ( -0.636 0.000 27.783) 27.790 16.015 ( -0.607 0.000 26.564) 26.571 16.319 ( 4.531 0.000 -6.417) 7.856 16.369 ( 4.311 0.000 -11.175) 11.978 16.378 ( 2.672 0.000 -9.413) 9.785 16.510 ( -1.955 0.000 -11.072) 11.244 18.286 ( -0.256 0.000 28.191) 28.193 18.325 ( 1.792 0.000 25.101) 25.165 18.360 ( -3.795 0.000 28.309) 28.562 18.381 ( -0.403 0.000 25.806) 25.809 18.758 ( 3.446 0.000 0.873) 3.555 18.796 ( 2.046 0.000 2.161) 2.976 18.833 ( 0.391 0.000 5.107) 5.122 18.858 ( -0.234 0.000 4.436) 4.443 19.858 ( 1.676 0.000 1.978) 2.592 19.932 ( -1.777 0.000 0.969) 2.024 20.039 ( 2.943 0.000 0.814) 3.053 20.079 ( 0.689 0.000 4.183) 4.239 20.138 ( -2.406 0.000 0.869) 2.558 20.175 ( -3.490 0.000 2.040) 4.042 20.415 ( 1.690 0.000 -3.657) 4.028 20.446 ( -0.025 0.000 -5.420) 5.420 21.880 ( -1.246 0.000 15.247) 15.298 21.889 ( 0.149 0.000 13.485) 13.486 21.894 ( -1.868 0.000 14.663) 14.782 21.905 ( -0.810 0.000 13.739) 13.763 22.600 ( 1.360 0.000 -9.688) 9.782 22.611 ( 1.611 0.000 -8.737) 8.884 22.648 ( -0.904 0.000 -8.640) 8.687 22.697 ( -2.510 0.000 -7.496) 7.904 23.428 ( 0.006 0.000 -44.338) 44.338 23.456 ( 1.286 0.000 -44.724) 44.743 23.459 ( -1.300 0.000 -43.420) 43.439 23.482 ( 0.014 0.000 -43.979) 43.979 24.964 ( 0.946 0.000 -3.174) 3.312 25.023 ( 3.876 0.000 -4.381) 5.850 25.045 ( -3.123 0.000 -1.226) 3.355 25.125 ( -0.312 0.000 -5.690) 5.699 25.431 ( 3.978 0.000 39.510) 39.710 25.575 ( 5.871 0.000 43.917) 44.307 25.658 ( -7.024 0.000 42.082) 42.664 26.075 ( -20.590 0.000 35.900) 41.385 27.087 ( 3.826 0.000 10.854) 11.509 27.134 ( 1.371 0.000 11.143) 11.227 27.382 ( 8.370 0.000 9.605) 12.741 27.481 ( 3.054 0.000 -18.092) 18.348 27.544 ( 1.117 0.000 -2.139) 2.413 27.556 ( 3.885 0.000 -13.581) 14.126 27.641 ( 0.460 0.000 -16.480) 16.486 27.732 ( -6.288 0.000 -9.644) 11.513 28.771 ( -0.453 0.000 9.195) 9.206 28.833 ( -4.420 0.000 14.898) 15.539 28.849 ( -4.089 0.000 7.131) 8.220 28.903 ( -9.295 0.000 21.293) 23.234 30.523 ( 2.193 0.000 -1.470) 2.640 30.600 ( -1.651 0.000 -1.338) 2.125 30.616 ( 1.298 0.000 -9.038) 9.130 30.658 ( -0.836 0.000 -6.738) 6.790 32.024 ( 4.784 0.000 -11.431) 12.392 32.239 ( -4.093 0.000 -12.216) 12.884 32.516 ( 9.962 0.000 -19.269) 21.692 32.732 ( 14.844 0.000 -21.571) 26.185 32.804 ( -1.875 0.000 -20.480) 20.565 33.063 ( -3.035 0.000 -23.281) 23.477 33.253 ( 14.671 0.000 -31.928) 35.138 33.610 ( -7.929 0.000 -32.684) 33.632 39.668 ( 1.103 0.000 3.250) 3.432 39.704 ( -0.464 0.000 4.414) 4.438 39.869 ( -0.934 0.000 10.854) 10.895 39.885 ( 0.283 0.000 8.350) 8.355 39.995 ( 1.772 0.000 -1.157) 2.116 40.092 ( -2.814 0.000 -1.235) 3.073 40.687 ( 2.260 0.000 -3.277) 3.980 40.751 ( 5.526 0.000 -0.019) 5.526 41.068 ( 2.641 0.000 8.608) 9.004 41.085 ( 2.299 0.000 10.411) 10.662 41.133 ( 0.610 0.000 8.158) 8.181 41.395 ( 1.727 0.000 16.522) 16.612 41.508 ( -7.593 0.000 -4.331) 8.741 41.555 ( -3.875 0.000 12.211) 12.811 42.307 ( 2.978 0.000 -14.367) 14.672 42.414 ( -1.914 0.000 -4.058) 4.486 ======================= Grid point 73 (28/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -28.556 0.000 20.981) 35.435 2.748 ( 28.556 0.000 20.981) 35.435 2.965 ( -19.858 0.000 -6.199) 20.803 2.965 ( 19.858 0.000 -6.199) 20.803 3.297 ( -18.235 0.000 7.390) 19.676 3.297 ( 18.235 0.000 7.390) 19.676 3.358 ( -14.410 0.000 -1.542) 14.492 3.358 ( 14.410 0.000 -1.542) 14.492 3.567 ( -11.771 0.000 -8.010) 14.238 3.567 ( 11.771 0.000 -8.010) 14.238 3.680 ( -5.889 0.000 3.945) 7.088 3.680 ( 5.889 0.000 3.945) 7.088 3.890 ( -13.326 0.000 12.008) 17.938 3.890 ( 13.326 0.000 12.008) 17.938 4.004 ( -7.873 0.000 5.657) 9.695 4.004 ( 7.873 0.000 5.657) 9.695 4.762 ( -5.662 0.000 33.420) 33.896 4.762 ( 5.662 0.000 33.420) 33.896 5.008 ( -13.886 0.000 10.607) 17.474 5.008 ( 13.886 0.000 10.607) 17.474 5.598 ( -7.624 0.000 22.542) 23.797 5.598 ( 7.624 0.000 22.542) 23.797 5.638 ( -2.628 0.000 4.661) 5.351 5.638 ( 2.628 0.000 4.661) 5.351 5.729 ( -5.101 0.000 11.257) 12.358 5.729 ( 5.101 0.000 11.257) 12.358 6.081 ( -23.435 0.000 25.146) 34.373 6.081 ( 23.435 0.000 25.146) 34.373 6.736 ( -9.133 0.000 7.958) 12.114 6.736 ( 9.133 0.000 7.958) 12.114 6.853 ( -4.078 0.000 8.266) 9.217 6.853 ( 4.078 0.000 8.266) 9.217 6.877 ( -14.530 0.000 8.012) 16.592 6.877 ( 14.530 0.000 8.012) 16.592 7.155 ( -3.977 0.000 3.708) 5.438 7.155 ( 3.977 0.000 3.708) 5.438 7.158 ( -8.380 0.000 7.893) 11.512 7.158 ( 8.380 0.000 7.893) 11.512 7.277 ( -1.512 0.000 -1.244) 1.958 7.277 ( 1.512 0.000 -1.244) 1.958 7.702 ( -6.112 0.000 5.702) 8.359 7.702 ( 6.112 0.000 5.702) 8.359 7.780 ( -11.286 0.000 -1.247) 11.354 7.780 ( 11.286 0.000 -1.247) 11.354 8.067 ( -14.902 0.000 6.131) 16.114 8.067 ( 14.902 0.000 6.131) 16.114 8.149 ( -8.357 0.000 -6.934) 10.859 8.149 ( 8.357 0.000 -6.934) 10.859 8.697 ( -2.030 0.000 10.752) 10.942 8.697 ( 2.030 0.000 10.752) 10.942 8.897 ( -4.439 0.000 -0.056) 4.439 8.897 ( 4.439 0.000 -0.056) 4.439 9.315 ( -2.703 0.000 16.655) 16.873 9.315 ( 2.703 0.000 16.655) 16.873 9.583 ( -7.149 0.000 23.803) 24.854 9.583 ( 7.149 0.000 23.803) 24.853 9.915 ( -3.245 0.000 10.103) 10.612 9.915 ( 3.245 0.000 10.103) 10.612 10.070 ( -9.765 0.000 -2.089) 9.986 10.070 ( 9.765 0.000 -2.089) 9.986 10.179 ( -2.495 0.000 -0.351) 2.519 10.179 ( 2.495 0.000 -0.351) 2.519 10.291 ( -6.609 0.000 3.009) 7.262 10.291 ( 6.609 0.000 3.009) 7.262 11.895 ( -4.967 0.000 -8.659) 9.982 11.895 ( 4.967 0.000 -8.659) 9.982 12.087 ( -4.488 0.000 0.377) 4.504 12.087 ( 4.488 0.000 0.377) 4.504 12.575 ( -0.051 0.000 9.545) 9.546 12.575 ( 0.051 0.000 9.545) 9.546 12.589 ( -4.414 0.000 -6.193) 7.605 12.589 ( 4.414 0.000 -6.193) 7.605 12.728 ( -5.422 0.000 -5.269) 7.561 12.728 ( 5.422 0.000 -5.269) 7.561 12.879 ( -1.398 0.000 5.755) 5.923 12.879 ( 1.398 0.000 5.755) 5.923 14.343 ( -3.242 0.000 -7.998) 8.631 14.343 ( 3.242 0.000 -7.998) 8.631 14.446 ( -5.776 0.000 -11.470) 12.842 14.446 ( 5.776 0.000 -11.470) 12.842 15.717 ( -1.522 0.000 -8.485) 8.621 15.717 ( 1.522 0.000 -8.485) 8.621 15.747 ( -1.541 0.000 -10.629) 10.740 15.747 ( 1.541 0.000 -10.629) 10.740 15.978 ( -1.400 0.000 26.793) 26.829 15.978 ( 1.400 0.000 26.793) 26.829 15.994 ( -1.531 0.000 26.500) 26.544 15.994 ( 1.531 0.000 26.500) 26.544 16.387 ( -1.791 0.000 -8.712) 8.894 16.387 ( 1.791 0.000 -8.712) 8.894 16.452 ( -3.727 0.000 -11.252) 11.854 16.452 ( 3.727 0.000 -11.252) 11.854 18.304 ( -1.932 0.000 26.773) 26.842 18.304 ( 1.932 0.000 26.773) 26.842 18.361 ( -1.558 0.000 24.754) 24.803 18.361 ( 1.558 0.000 24.754) 24.803 18.816 ( -2.059 0.000 2.898) 3.555 18.816 ( 2.059 0.000 2.898) 3.555 18.837 ( -1.760 0.000 3.270) 3.713 18.837 ( 1.760 0.000 3.270) 3.713 19.895 ( -1.927 0.000 1.336) 2.345 19.895 ( 1.927 0.000 1.336) 2.345 20.099 ( -1.449 0.000 3.022) 3.352 20.099 ( 1.449 0.000 3.022) 3.352 20.104 ( -3.497 0.000 1.532) 3.817 20.104 ( 3.497 0.000 1.532) 3.817 20.440 ( -0.741 0.000 -4.637) 4.695 20.440 ( 0.741 0.000 -4.637) 4.695 21.870 ( -0.336 0.000 15.260) 15.264 21.870 ( 0.336 0.000 15.260) 15.264 21.893 ( -0.383 0.000 13.690) 13.695 21.893 ( 0.383 0.000 13.690) 13.695 22.627 ( -1.244 0.000 -9.194) 9.277 22.627 ( 1.244 0.000 -9.194) 9.277 22.649 ( -2.196 0.000 -8.053) 8.347 22.649 ( 2.196 0.000 -8.053) 8.347 23.436 ( -0.857 0.000 -44.158) 44.166 23.436 ( 0.857 0.000 -44.158) 44.166 23.476 ( -0.661 0.000 -44.385) 44.390 23.476 ( 0.661 0.000 -44.385) 44.390 24.993 ( -1.985 0.000 -1.817) 2.691 24.993 ( 1.985 0.000 -1.817) 2.691 25.093 ( -2.796 0.000 -3.229) 4.272 25.093 ( 2.796 0.000 -3.229) 4.272 25.528 ( -5.728 0.000 40.219) 40.625 25.528 ( 5.728 0.000 40.219) 40.625 25.752 ( -12.174 0.000 39.425) 41.262 25.752 ( 12.174 0.000 39.425) 41.262 27.139 ( -1.166 0.000 10.826) 10.889 27.139 ( 1.166 0.000 10.826) 10.889 27.512 ( -2.614 0.000 -4.130) 4.888 27.512 ( 2.614 0.000 -4.130) 4.888 27.590 ( -6.856 0.000 -5.480) 8.777 27.590 ( 6.856 0.000 -5.480) 8.777 27.621 ( -2.360 0.000 -14.524) 14.714 27.621 ( 2.360 0.000 -14.524) 14.714 28.776 ( -1.300 0.000 11.286) 11.360 28.776 ( 1.300 0.000 11.286) 11.360 28.809 ( -0.729 0.000 14.041) 14.060 28.809 ( 0.729 0.000 14.041) 14.060 30.564 ( -1.891 0.000 -1.930) 2.702 30.564 ( 1.891 0.000 -1.930) 2.702 30.638 ( -1.064 0.000 -8.154) 8.223 30.638 ( 1.064 0.000 -8.154) 8.223 32.137 ( -5.873 0.000 -11.808) 13.188 32.137 ( 5.873 0.000 -11.808) 13.188 32.705 ( -7.956 0.000 -21.161) 22.607 32.705 ( 7.956 0.000 -21.161) 22.607 32.960 ( -7.864 0.000 -22.961) 24.271 32.960 ( 7.864 0.000 -22.961) 24.271 33.459 ( -7.617 0.000 -30.432) 31.371 33.459 ( 7.617 0.000 -30.432) 31.371 39.689 ( -0.968 0.000 4.190) 4.300 39.689 ( 0.968 0.000 4.190) 4.300 39.872 ( -0.908 0.000 12.240) 12.274 39.872 ( 0.908 0.000 12.240) 12.274 40.038 ( -2.496 0.000 -2.289) 3.387 40.038 ( 2.496 0.000 -2.289) 3.387 40.748 ( -4.049 0.000 -5.240) 6.622 40.748 ( 4.049 0.000 -5.240) 6.622 41.116 ( -1.974 0.000 8.948) 9.163 41.116 ( 1.974 0.000 8.948) 9.163 41.284 ( -13.440 0.000 2.469) 13.665 41.284 ( 13.440 0.000 2.469) 13.665 41.465 ( -4.675 0.000 14.217) 14.965 41.465 ( 4.675 0.000 14.217) 14.965 42.366 ( -2.775 0.000 -8.323) 8.773 42.366 ( 2.775 0.000 -8.323) 8.773 ======================= Grid point 77 (29/72) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 28.119 32.858) 43.248 2.108 ( 0.000 9.411 42.812) 43.834 2.670 ( 0.000 -3.750 14.809) 15.277 2.718 ( 0.000 -8.674 19.708) 21.533 2.843 ( 0.000 -2.529 2.547) 3.589 2.947 ( 0.000 -26.009 15.249) 30.150 3.326 ( 0.000 2.081 14.715) 14.862 3.450 ( 0.000 -4.070 10.178) 10.962 3.554 ( 0.000 -1.234 6.456) 6.573 3.732 ( 0.000 -9.571 3.573) 10.216 3.874 ( 0.000 13.409 23.221) 26.814 4.092 ( 0.000 9.743 16.418) 19.092 4.252 ( 0.000 4.510 52.757) 52.950 4.258 ( 0.000 -0.687 7.031) 7.064 4.358 ( 0.000 -1.518 11.996) 12.091 4.545 ( 0.000 4.410 28.187) 28.530 4.669 ( 0.000 -8.344 47.008) 47.743 4.800 ( 0.000 3.816 39.645) 39.828 4.860 ( 0.000 -8.132 22.395) 23.826 5.094 ( 0.000 -2.705 30.093) 30.215 5.246 ( 0.000 1.466 5.720) 5.905 5.385 ( 0.000 -4.056 -2.720) 4.884 5.608 ( 0.000 3.789 0.654) 3.845 5.711 ( 0.000 1.898 -3.018) 3.565 5.744 ( 0.000 -0.959 -2.600) 2.771 5.804 ( 0.000 -1.227 -3.479) 3.689 5.961 ( 0.000 10.357 21.879) 24.207 6.215 ( 0.000 1.581 -10.342) 10.463 6.219 ( 0.000 -3.521 4.525) 5.733 6.274 ( 0.000 -1.045 -9.177) 9.237 6.572 ( 0.000 6.903 2.834) 7.462 6.612 ( 0.000 3.185 -7.374) 8.032 6.660 ( 0.000 1.953 -7.064) 7.329 6.768 ( 0.000 1.422 3.879) 4.131 6.805 ( 0.000 -6.317 -11.740) 13.332 7.006 ( 0.000 2.089 -6.705) 7.023 7.025 ( 0.000 6.255 -10.804) 12.484 7.233 ( 0.000 -3.902 -12.054) 12.669 7.279 ( 0.000 -5.924 -13.799) 15.017 7.350 ( 0.000 -16.955 -12.702) 21.186 7.920 ( 0.000 1.255 -1.277) 1.790 7.990 ( 0.000 -2.035 -1.053) 2.292 8.107 ( 0.000 3.237 0.377) 3.258 8.254 ( 0.000 -3.604 -2.495) 4.384 8.405 ( 0.000 1.238 -1.243) 1.754 8.418 ( 0.000 1.211 -1.265) 1.751 8.695 ( 0.000 2.802 13.797) 14.079 8.785 ( 0.000 7.814 -1.483) 7.954 8.876 ( 0.000 -7.855 9.328) 12.194 8.935 ( 0.000 -1.649 6.588) 6.791 8.975 ( 0.000 -2.521 3.069) 3.971 9.078 ( 0.000 4.283 14.564) 15.180 9.096 ( 0.000 -4.871 2.346) 5.406 9.200 ( 0.000 -1.883 14.589) 14.710 9.352 ( 0.000 7.187 20.223) 21.462 9.471 ( 0.000 -1.365 26.482) 26.517 9.708 ( 0.000 0.576 29.208) 29.214 9.744 ( 0.000 3.086 26.119) 26.301 9.761 ( 0.000 -2.501 22.323) 22.462 9.796 ( 0.000 1.383 7.069) 7.203 9.884 ( 0.000 3.248 11.141) 11.605 9.963 ( 0.000 -0.978 9.291) 9.342 10.067 ( 0.000 0.860 2.611) 2.749 10.073 ( 0.000 0.585 6.865) 6.889 11.778 ( 0.000 1.186 -7.913) 8.001 11.877 ( 0.000 -3.076 -2.385) 3.892 12.146 ( 0.000 2.166 -2.779) 3.524 12.244 ( 0.000 -1.750 6.148) 6.392 12.647 ( 0.000 6.109 -10.818) 12.423 12.686 ( 0.000 1.459 4.337) 4.576 12.768 ( 0.000 -2.237 5.944) 6.351 12.778 ( 0.000 -0.184 -7.472) 7.475 12.943 ( 0.000 -0.173 -12.360) 12.361 12.974 ( 0.000 -1.243 -6.544) 6.661 13.067 ( 0.000 1.919 -0.615) 2.015 13.134 ( 0.000 -1.141 0.155) 1.152 14.284 ( 0.000 1.212 -9.282) 9.361 14.369 ( 0.000 -2.911 -8.301) 8.796 14.606 ( 0.000 2.743 -9.502) 9.890 14.684 ( 0.000 -1.046 -7.260) 7.335 15.679 ( 0.000 0.035 -13.609) 13.609 15.681 ( 0.000 -0.037 -14.166) 14.166 15.792 ( 0.000 0.245 -13.107) 13.109 15.803 ( 0.000 -0.234 -13.255) 13.257 15.871 ( 0.000 0.288 24.245) 24.247 15.887 ( 0.000 -0.446 31.296) 31.299 16.003 ( 0.000 0.035 28.724) 28.724 16.009 ( 0.000 -0.095 25.198) 25.198 16.191 ( 0.000 0.323 0.775) 0.840 16.217 ( 0.000 -1.344 -3.903) 4.128 16.329 ( 0.000 4.955 -10.485) 11.597 16.501 ( 0.000 -3.142 -11.333) 11.761 18.299 ( 0.000 1.145 26.637) 26.661 18.339 ( 0.000 -0.530 30.311) 30.316 18.396 ( 0.000 1.816 30.477) 30.532 18.526 ( 0.000 -4.041 31.925) 32.180 18.664 ( 0.000 0.809 1.207) 1.453 18.717 ( 0.000 -1.941 2.424) 3.105 18.791 ( 0.000 1.752 3.891) 4.267 18.836 ( 0.000 -0.666 4.475) 4.524 19.832 ( 0.000 1.266 2.731) 3.010 19.919 ( 0.000 -3.240 1.934) 3.773 20.028 ( 0.000 4.938 -1.470) 5.152 20.115 ( 0.000 4.237 3.989) 5.819 20.188 ( 0.000 -2.436 -3.428) 4.205 20.247 ( 0.000 -2.227 3.510) 4.156 20.368 ( 0.000 1.308 -3.393) 3.637 20.431 ( 0.000 -1.440 -5.719) 5.897 21.877 ( 0.000 0.366 14.035) 14.040 21.906 ( 0.000 -1.079 14.111) 14.152 21.939 ( 0.000 0.680 13.759) 13.776 21.952 ( 0.000 0.016 13.325) 13.325 22.567 ( 0.000 0.062 -10.198) 10.199 22.575 ( 0.000 -0.352 -9.773) 9.779 22.686 ( 0.000 1.694 -7.796) 7.978 22.758 ( 0.000 -1.517 -7.608) 7.758 23.413 ( 0.000 0.415 -43.986) 43.988 23.433 ( 0.000 -0.449 -43.556) 43.558 23.476 ( 0.000 0.283 -43.422) 43.423 23.490 ( 0.000 -0.302 -42.559) 42.560 24.921 ( 0.000 0.465 -9.405) 9.416 24.945 ( 0.000 -0.593 -6.506) 6.533 25.106 ( 0.000 0.946 -7.250) 7.312 25.143 ( 0.000 -0.701 -5.255) 5.301 25.346 ( 0.000 1.103 43.980) 43.994 25.438 ( 0.000 -3.790 46.461) 46.616 26.015 ( 0.000 16.448 44.639) 47.573 26.938 ( 0.000 -27.117 15.412) 31.191 26.969 ( 0.000 0.723 12.663) 12.683 27.016 ( 0.000 -1.629 13.996) 14.090 27.109 ( 0.000 2.000 12.922) 13.076 27.173 ( 0.000 -1.079 13.048) 13.092 27.406 ( 0.000 0.483 -15.803) 15.810 27.437 ( 0.000 -0.726 -14.672) 14.690 27.669 ( 0.000 5.470 -18.421) 19.216 27.825 ( 0.000 -3.164 -19.811) 20.063 28.804 ( 0.000 1.584 7.251) 7.422 28.916 ( 0.000 -4.124 5.701) 7.036 29.081 ( 0.000 5.123 13.909) 14.822 29.375 ( 0.000 -11.523 21.755) 24.618 30.464 ( 0.000 0.899 -0.675) 1.124 30.507 ( 0.000 -0.988 -3.898) 4.021 30.645 ( 0.000 0.451 -0.407) 0.607 30.664 ( 0.000 -0.395 -3.366) 3.389 32.074 ( 0.000 2.438 -12.951) 13.178 32.159 ( 0.000 2.351 -16.277) 16.446 32.232 ( 0.000 -5.712 -12.686) 13.913 32.283 ( 0.000 -3.563 -15.819) 16.215 32.520 ( 0.000 7.260 -15.084) 16.740 32.752 ( 0.000 -4.092 -17.181) 17.661 33.308 ( 0.000 17.115 -31.910) 36.210 33.776 ( 0.000 -6.293 -40.535) 41.021 39.652 ( 0.000 1.065 1.977) 2.245 39.700 ( 0.000 -1.007 3.453) 3.597 39.822 ( 0.000 1.113 -5.418) 5.531 39.901 ( 0.000 -3.158 -2.932) 4.310 40.037 ( 0.000 3.905 -0.428) 3.928 40.150 ( 0.000 -1.827 2.103) 2.786 40.345 ( 0.000 5.312 27.265) 27.778 40.763 ( 0.000 -16.772 12.413) 20.866 40.987 ( 0.000 1.281 12.987) 13.050 41.065 ( 0.000 -2.357 10.815) 11.069 41.296 ( 0.000 2.726 18.533) 18.732 41.390 ( 0.000 -1.639 17.529) 17.605 41.633 ( 0.000 16.969 -19.700) 26.000 41.698 ( 0.000 7.803 10.350) 12.962 42.153 ( 0.000 -7.837 -24.951) 26.153 42.254 ( 0.000 -17.201 7.418) 18.732 ======================= Grid point 78 (30/72) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 11.612 21.250 34.295) 41.983 2.212 ( 11.613 8.091 31.594) 34.619 2.633 ( -1.000 -12.096 18.468) 22.099 2.821 ( 11.158 0.741 5.495) 12.460 2.858 ( 4.893 -7.215 4.666) 9.888 3.091 ( 9.542 -22.455 10.686) 26.636 3.438 ( 2.519 0.285 8.444) 8.817 3.524 ( 0.267 -5.286 9.390) 10.779 3.540 ( 2.632 1.966 2.219) 3.964 3.669 ( 0.623 -3.154 3.142) 4.495 3.854 ( -6.257 9.098 16.775) 20.083 3.987 ( -5.928 6.604 11.718) 14.699 4.097 ( -17.943 -0.131 15.366) 23.624 4.191 ( -6.605 -2.157 15.754) 17.218 4.330 ( -4.260 5.190 31.836) 32.537 4.555 ( 12.207 8.970 37.595) 40.533 4.667 ( -8.618 -8.578 26.140) 28.830 4.734 ( 1.222 18.005 21.080) 27.750 5.006 ( 11.415 -9.233 48.498) 50.672 5.225 ( 7.354 -3.939 20.489) 22.123 5.316 ( 4.831 -0.833 9.207) 10.431 5.378 ( -2.103 -5.302 2.185) 6.108 5.539 ( -8.897 0.748 4.612) 10.049 5.633 ( -5.959 -1.628 3.916) 7.314 5.654 ( 1.651 0.860 -1.892) 2.654 5.761 ( 0.291 -2.252 -1.195) 2.566 5.993 ( -13.632 2.566 4.103) 14.466 6.071 ( -12.236 -0.436 1.167) 12.299 6.229 ( 18.670 7.080 19.729) 28.070 6.420 ( 14.358 -2.737 19.221) 24.148 6.607 ( 3.474 3.580 -4.648) 6.818 6.730 ( 5.625 -0.024 -8.603) 10.279 6.824 ( 10.856 1.905 -8.419) 13.869 6.885 ( 4.414 -1.640 -7.627) 8.964 6.948 ( 8.481 0.462 -6.846) 10.909 6.973 ( 3.702 1.965 -6.276) 7.547 7.045 ( 2.158 3.688 -14.260) 14.887 7.225 ( 0.150 -4.085 -9.337) 10.193 7.281 ( 1.189 -6.087 -8.704) 10.687 7.309 ( -1.071 -9.362 -6.734) 11.582 7.871 ( -4.635 1.447 0.175) 4.859 7.926 ( -5.529 -1.422 -0.698) 5.752 8.082 ( -3.523 3.523 1.192) 5.123 8.209 ( -5.528 -2.342 -0.222) 6.008 8.271 ( -27.274 2.700 19.546) 33.663 8.325 ( -14.594 0.845 6.498) 15.998 8.410 ( -1.334 0.932 0.934) 1.876 8.482 ( -15.757 -2.487 14.027) 21.241 8.806 ( -0.208 4.769 -2.263) 5.283 8.845 ( -7.941 -0.864 3.784) 8.839 8.858 ( -5.897 2.073 3.382) 7.107 9.027 ( -1.826 -0.539 0.878) 2.097 9.335 ( 4.579 1.241 28.220) 28.616 9.402 ( 4.211 -2.207 19.541) 20.111 9.440 ( 16.181 -2.323 5.672) 17.303 9.529 ( -0.046 -4.389 20.645) 21.106 9.626 ( -0.714 1.194 26.934) 26.970 9.666 ( -6.171 -0.340 21.955) 22.808 9.900 ( 8.592 2.352 5.868) 10.667 9.929 ( 11.459 2.673 -7.326) 13.861 9.977 ( 8.436 -0.212 20.227) 21.917 10.021 ( 5.690 -1.316 9.406) 11.072 10.154 ( 5.712 2.285 1.829) 6.418 10.210 ( 9.170 -0.213 6.997) 11.536 11.788 ( 1.106 1.470 -8.141) 8.346 11.897 ( 1.789 -3.631 -2.909) 4.985 12.123 ( -2.187 2.968 -2.054) 4.220 12.225 ( -1.958 -1.598 6.048) 6.555 12.592 ( -4.057 3.145 -7.825) 9.358 12.638 ( -4.352 1.292 1.066) 4.663 12.690 ( -4.941 -0.705 2.678) 5.664 12.748 ( -3.883 -1.440 -2.138) 4.661 12.879 ( -5.766 1.172 -10.416) 11.963 12.935 ( -3.707 -1.496 -5.183) 6.546 13.026 ( -3.870 1.735 0.562) 4.278 13.082 ( -4.869 -0.888 1.054) 5.060 14.301 ( 1.404 0.585 -9.593) 9.713 14.353 ( -1.533 -1.873 -8.279) 8.625 14.602 ( -0.954 1.410 -10.549) 10.685 14.620 ( -5.884 0.510 -7.865) 9.835 15.679 ( 0.225 0.154 -12.497) 12.500 15.686 ( 0.702 -0.128 -13.519) 13.538 15.777 ( -1.260 0.299 -11.040) 11.115 15.791 ( -1.012 -0.291 -11.879) 11.925 15.898 ( 2.365 0.048 25.667) 25.776 15.905 ( 1.623 -0.269 29.643) 29.689 16.006 ( 0.127 0.219 28.473) 28.475 16.017 ( 0.386 -0.130 25.976) 25.979 16.233 ( 3.826 0.333 -2.171) 4.411 16.259 ( 3.860 -1.345 -6.792) 7.927 16.362 ( 2.833 4.325 -10.952) 12.111 16.507 ( 0.275 -2.557 -11.293) 11.582 18.304 ( 0.490 0.735 26.386) 26.400 18.318 ( -1.797 0.299 30.198) 30.253 18.385 ( -0.510 0.457 28.092) 28.101 18.445 ( -5.499 -2.098 30.377) 30.942 18.698 ( 2.792 0.691 0.847) 2.998 18.744 ( 1.993 -1.503 2.492) 3.528 18.816 ( 1.849 1.088 5.113) 5.545 18.847 ( 0.816 -0.431 4.718) 4.807 19.843 ( 1.060 1.363 2.492) 3.032 19.937 ( 1.490 -3.467 1.701) 4.140 20.005 ( -1.878 3.886 -0.306) 4.327 20.122 ( 0.530 4.093 3.475) 5.395 20.157 ( -2.724 -2.960 -1.909) 4.452 20.230 ( -1.553 -1.154 2.945) 3.523 20.385 ( 1.469 0.834 -3.408) 3.804 20.433 ( 0.253 -1.197 -5.617) 5.749 21.883 ( 0.386 0.138 13.755) 13.761 21.901 ( -0.599 -0.695 14.370) 14.399 21.925 ( -1.205 0.424 13.842) 13.901 21.934 ( -1.610 0.075 13.802) 13.896 22.577 ( 0.936 0.050 -10.012) 10.056 22.583 ( 0.847 -0.288 -9.529) 9.571 22.677 ( -0.824 1.381 -7.951) 8.113 22.735 ( -2.011 -1.193 -7.452) 7.811 23.427 ( 1.124 0.042 -44.351) 44.365 23.431 ( -0.157 -0.141 -43.867) 43.867 23.479 ( 0.219 0.113 -43.604) 43.605 23.482 ( -0.650 -0.051 -42.904) 42.909 24.951 ( 2.673 0.076 -7.474) 7.938 24.953 ( 0.691 -0.005 -5.291) 5.336 25.111 ( -1.949 -0.002 -3.869) 4.332 25.112 ( -0.176 -0.007 -6.051) 6.053 25.374 ( 2.494 0.926 41.394) 41.479 25.456 ( 1.871 -3.559 45.396) 45.574 25.925 ( -7.857 12.966 43.939) 46.481 26.478 ( -25.585 -10.876 30.102) 40.975 27.022 ( 4.371 1.947 11.640) 12.585 27.105 ( 1.961 -0.016 11.802) 11.963 27.225 ( 5.891 -0.841 12.297) 13.662 27.331 ( 10.277 -9.044 0.762) 13.711 27.436 ( 2.835 0.642 -13.680) 13.985 27.474 ( 3.236 -0.978 -13.585) 14.000 27.675 ( 0.256 4.364 -16.917) 17.472 27.803 ( -2.312 -2.441 -17.005) 17.334 28.789 ( -1.319 0.836 8.125) 8.274 28.875 ( -3.705 -3.472 7.878) 9.372 29.004 ( -6.384 3.520 12.436) 14.415 29.152 ( -15.712 -4.510 23.468) 28.600 30.491 ( 2.259 1.262 -1.333) 2.911 30.559 ( 3.059 -1.807 -6.863) 7.728 30.635 ( -0.967 0.632 -1.017) 1.539 30.662 ( -0.295 -0.623 -4.182) 4.239 32.008 ( -0.160 3.558 -12.126) 12.638 32.250 ( 4.835 -8.302 -14.650) 17.519 32.329 ( -0.057 2.663 -13.571) 13.830 32.395 ( 14.560 -0.278 -17.952) 23.116 32.762 ( 16.968 -2.459 -21.521) 27.515 32.787 ( 5.485 -2.227 -18.920) 19.824 33.309 ( 0.529 15.950 -32.258) 35.989 33.715 ( -5.612 -5.314 -37.901) 38.681 39.658 ( 0.591 0.926 2.395) 2.635 39.700 ( 0.034 -0.912 3.698) 3.809 39.855 ( 2.414 0.635 -0.672) 2.585 39.895 ( -0.912 -1.465 2.588) 3.111 40.001 ( -1.343 2.966 2.473) 4.088 40.120 ( -2.395 -2.468 1.462) 3.737 40.496 ( 12.271 3.530 13.763) 18.773 40.743 ( -2.119 -8.259 7.573) 11.404 40.992 ( 1.670 -0.455 10.370) 10.513 41.052 ( -1.037 -2.667 10.631) 11.010 41.228 ( -4.289 4.610 13.190) 14.616 41.354 ( -2.474 -2.826 15.277) 15.732 41.682 ( -1.222 7.918 9.102) 12.125 41.691 ( 1.124 11.652 -9.388) 15.005 42.187 ( 2.924 -6.782 -20.707) 21.984 42.276 ( 1.927 -15.063 3.679) 15.625 ======================= Grid point 79 (31/72) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 21.144 7.253 32.005) 39.039 2.556 ( 20.380 4.214 9.557) 22.901 2.766 ( 13.857 -9.020 6.217) 17.664 2.900 ( -0.834 -18.061 11.568) 21.464 3.164 ( 16.077 0.801 -0.204) 16.098 3.263 ( 8.090 -5.676 0.656) 9.904 3.394 ( -8.319 4.044 -2.005) 9.465 3.491 ( -4.036 0.324 10.826) 11.559 3.514 ( 2.135 -1.662 -1.495) 3.092 3.608 ( -12.931 -3.652 6.558) 14.952 3.776 ( -4.979 3.664 5.146) 8.043 3.830 ( 3.305 2.899 11.192) 12.025 3.875 ( -5.498 1.526 5.166) 7.697 3.945 ( -14.505 1.326 5.150) 15.449 4.233 ( -7.028 6.368 9.132) 13.166 4.367 ( -17.032 5.848 11.331) 21.276 4.800 ( 8.675 5.738 20.617) 23.092 4.893 ( -5.641 9.691 36.012) 37.718 4.944 ( -6.939 -0.990 32.007) 32.766 5.249 ( -7.544 0.482 5.794) 9.524 5.392 ( 7.626 -6.697 14.425) 17.637 5.433 ( 14.283 -5.356 20.549) 25.592 5.572 ( 5.941 1.319 10.229) 11.902 5.618 ( 4.766 -0.740 13.873) 14.687 5.690 ( 1.513 -0.616 7.684) 7.856 5.753 ( -7.812 1.094 14.340) 16.366 5.835 ( -2.773 -1.403 16.397) 16.689 6.006 ( 16.281 -7.132 17.387) 24.865 6.611 ( 17.018 2.907 20.597) 26.875 6.676 ( 5.849 0.272 1.294) 5.996 6.735 ( 10.085 -0.189 14.888) 17.983 6.777 ( -2.469 2.125 -1.546) 3.605 6.819 ( -1.672 -1.198 -8.072) 8.330 6.963 ( 2.345 -1.932 -7.225) 7.838 7.023 ( 5.996 3.037 -6.256) 9.183 7.132 ( 3.075 -0.647 -6.615) 7.324 7.197 ( 8.732 -0.784 -9.418) 12.868 7.243 ( -0.315 -3.024 0.889) 3.167 7.314 ( 2.626 -0.565 -1.266) 2.969 7.363 ( -4.174 -3.978 14.195) 15.322 7.665 ( -21.129 3.841 18.569) 28.390 7.776 ( -1.876 3.942 0.928) 4.464 7.849 ( -3.985 -2.459 8.684) 9.866 7.881 ( -15.556 -3.561 8.228) 17.955 8.067 ( -1.988 1.050 -7.138) 7.484 8.072 ( -8.476 1.478 -2.405) 8.933 8.317 ( -7.734 0.156 2.235) 8.052 8.329 ( -8.136 -0.090 3.533) 8.871 8.707 ( -3.384 0.860 7.927) 8.662 8.745 ( -3.188 -0.658 8.570) 9.167 8.862 ( 2.632 5.226 -1.675) 6.086 8.983 ( -2.645 0.377 0.033) 2.672 9.354 ( -4.889 -0.399 20.628) 21.203 9.386 ( -0.901 -2.186 23.550) 23.668 9.461 ( -2.341 -0.511 19.445) 19.592 9.543 ( 2.018 -6.072 18.565) 19.636 9.777 ( 10.621 0.189 5.011) 11.745 9.842 ( 14.494 1.045 8.674) 16.924 9.999 ( -3.120 0.282 19.499) 19.749 10.070 ( 5.086 -1.960 12.260) 13.417 10.110 ( 6.936 0.702 -1.377) 7.106 10.164 ( 5.968 -1.016 -0.222) 6.058 10.226 ( 0.910 4.736 -3.641) 6.043 10.341 ( 2.636 -0.122 -0.627) 2.712 11.827 ( 2.880 1.566 -8.847) 9.435 11.931 ( 0.712 -3.828 -6.117) 7.251 12.073 ( -1.996 3.576 -0.460) 4.121 12.165 ( -3.881 -1.285 4.003) 5.721 12.544 ( 0.000 0.919 -5.538) 5.613 12.581 ( -0.348 0.018 2.735) 2.757 12.601 ( -3.478 -0.002 5.424) 6.443 12.658 ( -3.673 -2.181 -3.397) 5.458 12.751 ( -5.991 2.677 -5.437) 8.521 12.835 ( -5.941 -1.743 -3.949) 7.344 12.931 ( -4.799 1.271 3.310) 5.967 12.964 ( -6.077 -0.339 3.429) 6.986 14.327 ( -0.322 0.058 -8.459) 8.465 14.342 ( 3.074 -0.604 -10.039) 10.516 14.480 ( -7.180 2.369 -8.621) 11.467 14.547 ( -4.696 -0.635 -11.527) 12.463 15.693 ( 1.183 0.404 -10.368) 10.443 15.711 ( 1.601 -0.324 -11.927) 12.039 15.750 ( -1.358 0.396 -8.818) 8.931 15.769 ( -1.142 -0.418 -10.011) 10.084 15.942 ( 1.950 -0.105 27.440) 27.510 15.949 ( 2.288 -0.361 26.614) 26.714 16.003 ( -0.436 0.447 27.179) 27.186 16.015 ( -0.514 -0.042 26.606) 26.611 16.323 ( 4.639 0.478 -6.762) 8.214 16.350 ( 4.584 -0.981 -9.093) 10.230 16.414 ( 1.696 2.573 -11.134) 11.553 16.497 ( -1.447 -1.398 -11.231) 11.410 18.291 ( -0.324 0.562 28.187) 28.195 18.320 ( 0.613 -0.615 26.398) 26.412 18.362 ( -2.328 0.286 27.128) 27.229 18.378 ( -0.491 -0.315 25.674) 25.681 18.762 ( 3.246 0.400 1.209) 3.487 18.787 ( 2.219 -0.803 2.332) 3.318 18.841 ( 0.392 0.655 4.640) 4.703 18.857 ( -0.098 -0.118 4.406) 4.409 19.872 ( 1.762 1.536 1.898) 3.011 19.951 ( -1.462 0.953 0.527) 1.823 19.987 ( 1.477 -2.200 1.930) 3.278 20.093 ( -3.261 -3.594 0.368) 4.867 20.134 ( 0.756 3.454 3.338) 4.862 20.193 ( -1.998 0.609 2.788) 3.484 20.416 ( 1.417 0.174 -4.071) 4.314 20.439 ( 0.166 -0.753 -5.296) 5.352 21.882 ( -0.913 0.138 14.847) 14.876 21.888 ( -0.043 -0.127 13.715) 13.716 21.895 ( -1.707 0.164 14.572) 14.673 21.904 ( -1.065 -0.189 14.017) 14.059 22.601 ( 1.403 0.081 -9.604) 9.706 22.608 ( 1.568 -0.256 -8.995) 9.134 22.657 ( -1.139 0.819 -8.348) 8.465 22.690 ( -2.286 -0.676 -7.602) 7.967 23.428 ( -0.034 0.070 -44.331) 44.331 23.442 ( 0.025 -0.739 -44.224) 44.230 23.472 ( -0.020 0.667 -43.950) 43.955 23.482 ( 0.064 0.021 -43.970) 43.970 24.969 ( 0.895 0.475 -3.127) 3.287 25.003 ( 1.403 -1.359 -3.310) 3.844 25.067 ( -0.692 1.624 -2.340) 2.931 25.117 ( -0.279 -0.885 -4.714) 4.805 25.440 ( 4.102 0.990 39.305) 39.530 25.518 ( 4.095 -3.481 41.336) 41.684 25.758 ( -7.295 8.042 42.704) 44.062 26.031 ( -18.383 -4.814 37.246) 41.813 27.110 ( 3.857 2.364 10.942) 11.840 27.147 ( 1.839 1.154 11.310) 11.516 27.368 ( 7.509 -1.087 8.402) 11.321 27.462 ( 3.753 -4.341 -8.790) 10.497 27.502 ( 3.067 -0.668 -9.236) 9.755 27.544 ( 3.238 -1.600 -13.102) 13.591 27.667 ( -1.233 2.409 -14.548) 14.797 27.732 ( -4.521 -0.425 -10.687) 11.611 28.759 ( -1.445 -0.780 10.547) 10.674 28.794 ( -3.679 -2.416 10.864) 11.722 28.882 ( -4.903 1.710 11.502) 12.619 28.907 ( -7.885 0.211 18.200) 19.836 30.537 ( 2.170 1.422 -2.434) 3.558 30.602 ( 1.274 -1.252 -6.649) 6.885 30.610 ( -1.226 0.816 -3.417) 3.721 30.650 ( -0.896 -0.860 -5.915) 6.044 32.069 ( 5.362 4.987 -11.856) 13.934 32.289 ( -3.645 5.318 -13.022) 14.531 32.397 ( 8.720 -10.710 -16.823) 21.765 32.593 ( 3.423 -9.675 -18.355) 21.030 32.907 ( 8.478 5.947 -22.726) 24.974 33.041 ( 6.289 -1.894 -23.514) 24.414 33.356 ( 4.556 8.624 -32.859) 34.276 33.584 ( -6.707 -2.942 -32.978) 33.781 39.673 ( 0.908 0.588 3.373) 3.543 39.699 ( -0.195 -0.511 4.188) 4.223 39.871 ( -0.967 0.174 10.619) 10.664 39.881 ( -0.107 -0.322 8.812) 8.819 40.009 ( 1.509 1.418 -1.237) 2.412 40.077 ( -1.718 -1.581 -1.318) 2.681 40.697 ( 2.626 0.940 -2.921) 4.039 40.741 ( 4.717 -1.022 -0.726) 4.880 41.054 ( 3.162 -1.370 10.058) 10.632 41.059 ( 4.417 -1.443 9.082) 10.202 41.170 ( -1.774 2.901 9.750) 10.326 41.307 ( -2.307 -5.263 12.293) 13.570 41.629 ( -3.437 7.371 10.506) 13.286 41.647 ( -4.817 9.666 -0.441) 10.809 42.249 ( 2.978 -5.671 -12.801) 14.314 42.307 ( 0.646 -9.985 -2.491) 10.311 ======================= Grid point 80 (32/72) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -20.779 -7.504 24.671) 33.118 2.658 ( 20.779 -7.504 24.671) 33.118 2.918 ( -10.019 -4.227 -1.952) 11.048 2.918 ( 10.019 -4.227 -1.952) 11.048 3.276 ( -8.803 1.458 1.540) 9.055 3.276 ( 8.803 1.458 1.540) 9.055 3.410 ( -7.107 1.764 -3.648) 8.181 3.410 ( 7.107 1.764 -3.648) 8.181 3.528 ( -6.315 -1.915 -7.647) 10.100 3.528 ( 6.315 -1.915 -7.647) 10.100 3.743 ( -0.617 0.522 6.126) 6.179 3.743 ( 0.617 0.522 6.126) 6.179 3.862 ( -3.226 2.472 6.768) 7.895 3.862 ( 3.226 2.472 6.768) 7.895 4.126 ( -1.784 7.735 9.244) 12.184 4.126 ( 1.784 7.735 9.244) 12.184 4.763 ( -2.741 0.822 34.829) 34.946 4.763 ( 2.741 0.822 34.829) 34.946 5.061 ( -11.181 6.340 8.764) 15.557 5.061 ( 11.181 6.340 8.764) 15.557 5.511 ( -5.817 -10.347 10.874) 16.098 5.511 ( 5.817 -10.347 10.874) 16.098 5.649 ( -2.653 0.492 17.317) 17.526 5.649 ( 2.653 0.492 17.317) 17.526 5.695 ( -4.364 -1.080 12.030) 12.843 5.695 ( 4.364 -1.080 12.030) 12.843 6.126 ( -16.502 3.217 23.506) 28.900 6.126 ( 16.502 3.217 23.506) 28.900 6.736 ( -2.898 0.851 5.663) 6.418 6.736 ( 2.898 0.851 5.663) 6.418 6.842 ( -2.493 -1.360 11.810) 12.147 6.842 ( 2.493 -1.360 11.810) 12.147 6.867 ( -8.449 -0.826 4.353) 9.541 6.867 ( 8.449 -0.826 4.353) 9.541 7.148 ( -7.200 -0.497 9.452) 11.892 7.148 ( 7.200 -0.497 9.452) 11.892 7.167 ( -5.934 -0.006 7.055) 9.219 7.167 ( 5.934 -0.006 7.055) 9.219 7.287 ( -0.900 1.062 -1.949) 2.394 7.287 ( 0.900 1.062 -1.949) 2.394 7.585 ( -6.261 -6.641 5.345) 10.577 7.585 ( 6.261 -6.641 5.345) 10.577 7.881 ( -8.304 5.962 -2.882) 10.621 7.881 ( 8.304 5.962 -2.882) 10.621 8.035 ( -9.772 -2.814 0.404) 10.177 8.035 ( 9.772 -2.814 0.404) 10.177 8.172 ( -3.352 1.629 -0.335) 3.742 8.172 ( 3.352 1.629 -0.335) 3.742 8.700 ( -1.482 0.273 10.350) 10.459 8.700 ( 1.482 0.273 10.350) 10.459 8.923 ( -3.259 2.461 -0.120) 4.085 8.923 ( 3.259 2.461 -0.120) 4.085 9.310 ( -1.794 -0.462 17.086) 17.186 9.310 ( 1.794 -0.462 17.086) 17.186 9.539 ( -4.005 -4.180 19.376) 20.223 9.539 ( 4.005 -4.180 19.376) 20.223 9.908 ( -4.294 0.611 11.414) 12.210 9.908 ( 4.294 0.611 11.414) 12.210 10.081 ( -6.630 -1.686 6.967) 9.764 10.081 ( 6.630 -1.686 6.967) 9.764 10.178 ( -1.599 1.942 2.100) 3.277 10.178 ( 1.599 1.942 2.100) 3.277 10.307 ( -5.357 0.985 -5.230) 7.551 10.307 ( 5.357 0.985 -5.230) 7.551 11.896 ( -3.536 0.082 -8.778) 9.464 11.896 ( 3.536 0.082 -8.778) 9.464 12.086 ( -3.204 -0.049 0.424) 3.232 12.086 ( 3.204 -0.049 0.424) 3.232 12.560 ( -0.747 -0.802 4.857) 4.979 12.560 ( 0.747 -0.802 4.857) 4.979 12.613 ( -3.100 1.625 -1.610) 3.853 12.613 ( 3.100 1.625 -1.610) 3.853 12.718 ( -4.512 -0.995 -4.820) 6.677 12.718 ( 4.512 -0.995 -4.820) 6.677 12.882 ( -0.951 0.281 5.484) 5.573 12.882 ( 0.951 0.281 5.484) 5.573 14.361 ( -3.842 1.802 -8.603) 9.592 14.361 ( 3.842 1.802 -8.603) 9.592 14.435 ( -5.597 -1.191 -11.172) 12.552 14.435 ( 5.597 -1.191 -11.172) 12.552 15.722 ( -1.502 0.471 -8.724) 8.865 15.722 ( 1.502 0.471 -8.724) 8.865 15.743 ( -1.511 -0.439 -10.293) 10.412 15.743 ( 1.511 -0.439 -10.293) 10.412 15.972 ( -0.593 -0.423 26.622) 26.632 15.972 ( 0.593 -0.423 26.622) 26.632 16.000 ( -0.684 0.412 26.555) 26.567 16.000 ( 0.684 0.412 26.555) 26.567 16.394 ( -1.691 0.644 -8.658) 8.845 16.394 ( 1.691 0.644 -8.658) 8.845 16.448 ( -3.062 -0.361 -11.439) 11.848 16.448 ( 3.062 -0.361 -11.439) 11.848 18.304 ( -1.371 -0.006 27.100) 27.135 18.304 ( 1.371 -0.006 27.100) 27.135 18.361 ( -1.108 0.012 24.403) 24.428 18.361 ( 1.108 0.012 24.403) 24.428 18.812 ( -1.061 -0.283 3.136) 3.323 18.812 ( 1.061 -0.283 3.136) 3.323 18.842 ( -0.851 0.395 3.044) 3.185 18.842 ( 0.851 0.395 3.044) 3.185 19.911 ( -2.077 1.719 1.174) 2.940 19.911 ( 2.077 1.719 1.174) 2.940 20.033 ( -2.736 -3.769 1.783) 4.987 20.033 ( 2.736 -3.769 1.783) 4.987 20.156 ( -1.493 2.299 3.056) 4.105 20.156 ( 1.493 2.299 3.056) 4.105 20.436 ( -0.540 -0.336 -4.804) 4.845 20.436 ( 0.540 -0.336 -4.804) 4.845 21.873 ( -0.303 0.321 15.137) 15.143 21.873 ( 0.303 0.321 15.137) 15.143 21.890 ( -0.346 -0.303 13.815) 13.823 21.890 ( 0.346 -0.303 13.815) 13.823 22.628 ( -1.071 0.127 -9.202) 9.265 22.628 ( 1.071 0.127 -9.202) 9.265 22.648 ( -1.744 -0.151 -8.043) 8.231 22.648 ( 1.744 -0.151 -8.043) 8.231 23.433 ( -0.525 -0.264 -44.252) 44.256 23.433 ( 0.525 -0.264 -44.252) 44.256 23.479 ( -0.385 0.285 -44.304) 44.306 23.479 ( 0.385 0.285 -44.304) 44.306 24.991 ( -1.339 -0.186 -1.863) 2.302 24.991 ( 1.339 -0.186 -1.863) 2.302 25.094 ( -1.900 0.107 -2.569) 3.197 25.094 ( 1.900 0.107 -2.569) 3.197 25.532 ( -4.193 0.351 38.269) 38.499 25.532 ( 4.193 0.351 38.269) 38.499 25.753 ( -8.748 0.096 40.604) 41.535 25.753 ( 8.748 0.096 40.604) 41.535 27.160 ( -0.915 2.009 11.002) 11.221 27.160 ( 0.915 2.009 11.002) 11.221 27.480 ( -2.533 -3.169 1.152) 4.217 27.480 ( 2.533 -3.169 1.152) 4.217 27.563 ( -2.751 -0.955 -15.841) 16.107 27.563 ( 2.751 -0.955 -15.841) 16.107 27.654 ( -1.984 1.747 -8.989) 9.370 27.654 ( 1.984 1.747 -8.989) 9.370 28.748 ( -0.733 -1.831 12.025) 12.185 28.748 ( 0.733 -1.831 12.025) 12.185 28.831 ( -0.232 1.256 13.010) 13.073 28.831 ( 0.232 1.256 13.010) 13.073 30.576 ( -1.767 1.221 -2.733) 3.477 30.576 ( 1.767 1.221 -2.733) 3.477 30.629 ( -1.155 -1.026 -7.384) 7.544 30.629 ( 1.155 -1.026 -7.384) 7.544 32.189 ( -6.013 5.769 -12.469) 14.997 32.189 ( 6.013 5.769 -12.469) 14.997 32.555 ( -6.017 -12.146 -18.274) 22.752 32.555 ( 6.017 -12.146 -18.274) 22.752 33.048 ( -4.224 5.621 -24.179) 25.181 33.048 ( 4.224 5.621 -24.179) 25.181 33.463 ( -5.531 0.311 -31.015) 31.506 33.463 ( 5.531 0.311 -31.015) 31.506 39.690 ( -0.696 0.085 4.172) 4.230 39.690 ( 0.696 0.085 4.172) 4.230 39.868 ( -0.620 -0.354 12.059) 12.080 39.868 ( 0.620 -0.354 12.059) 12.080 40.044 ( -1.773 0.486 -2.114) 2.801 40.044 ( 1.773 0.486 -2.114) 2.801 40.746 ( -2.855 -0.145 -5.339) 6.056 40.746 ( 2.855 -0.145 -5.339) 6.056 41.122 ( -2.466 0.692 8.831) 9.195 41.122 ( 2.466 0.692 8.831) 9.195 41.217 ( -7.759 -4.430 7.149) 11.443 41.217 ( 7.759 -4.430 7.149) 11.443 41.580 ( -0.278 9.011 8.931) 12.690 41.580 ( 0.278 9.011 8.931) 12.690 42.297 ( -1.592 -6.537 -6.954) 9.676 42.297 ( 1.592 -6.537 -6.954) 9.676 ======================= Grid point 84 (33/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 0.000 -17.772 35.731) 39.907 2.361 ( 0.000 17.772 35.731) 39.907 2.362 ( 0.000 -35.560 19.801) 40.701 2.362 ( 0.000 35.560 19.801) 40.701 2.780 ( 0.000 -4.500 3.871) 5.936 2.780 ( 0.000 4.500 3.871) 5.936 3.375 ( 0.000 -3.518 12.689) 13.168 3.375 ( 0.000 3.518 12.689) 13.168 3.597 ( 0.000 -5.157 4.631) 6.932 3.597 ( 0.000 5.157 4.631) 6.932 4.124 ( 0.000 -12.377 16.815) 20.879 4.124 ( 0.000 12.377 16.815) 20.879 4.264 ( 0.000 -8.153 16.315) 18.239 4.264 ( 0.000 8.153 16.315) 18.239 4.412 ( 0.000 -12.751 59.354) 60.709 4.412 ( 0.000 12.751 59.354) 60.709 4.688 ( 0.000 -9.937 22.882) 24.946 4.688 ( 0.000 9.937 22.882) 24.946 4.984 ( 0.000 -9.455 28.854) 30.364 4.984 ( 0.000 9.455 28.854) 30.364 5.299 ( 0.000 -4.332 2.243) 4.878 5.299 ( 0.000 4.332 2.243) 4.878 5.686 ( 0.000 -3.699 -1.475) 3.983 5.686 ( 0.000 3.699 -1.475) 3.983 5.768 ( 0.000 -2.476 -3.503) 4.290 5.768 ( 0.000 2.476 -3.503) 4.290 6.125 ( 0.000 -7.020 6.794) 9.769 6.125 ( 0.000 7.020 6.794) 9.769 6.248 ( 0.000 -1.779 -9.546) 9.711 6.248 ( 0.000 1.779 -9.546) 9.711 6.665 ( 0.000 -2.275 3.027) 3.786 6.665 ( 0.000 2.275 3.027) 3.786 6.693 ( 0.000 -5.645 -9.448) 11.006 6.693 ( 0.000 5.645 -9.448) 11.006 6.921 ( 0.000 -14.071 -3.620) 14.530 6.921 ( 0.000 14.071 -3.620) 14.530 7.139 ( 0.000 -6.134 -11.170) 12.744 7.139 ( 0.000 6.134 -11.170) 12.744 7.174 ( 0.000 -3.059 -9.923) 10.383 7.174 ( 0.000 3.059 -9.923) 10.383 7.950 ( 0.000 -2.042 -2.011) 2.866 7.950 ( 0.000 2.042 -2.011) 2.866 8.179 ( 0.000 -4.364 -1.207) 4.528 8.179 ( 0.000 4.364 -1.207) 4.528 8.425 ( 0.000 -0.550 -1.472) 1.571 8.425 ( 0.000 0.550 -1.472) 1.571 8.763 ( 0.000 -4.672 13.216) 14.018 8.763 ( 0.000 4.672 13.216) 14.018 8.933 ( 0.000 -1.462 5.010) 5.219 8.933 ( 0.000 1.462 5.010) 5.219 8.960 ( 0.000 -9.592 -2.490) 9.910 8.960 ( 0.000 9.592 -2.490) 9.910 9.150 ( 0.000 -3.519 14.515) 14.935 9.150 ( 0.000 3.519 14.515) 14.935 9.430 ( 0.000 -3.050 31.411) 31.559 9.430 ( 0.000 3.050 31.411) 31.559 9.726 ( 0.000 -1.433 25.583) 25.623 9.726 ( 0.000 1.433 25.583) 25.623 9.800 ( 0.000 -1.639 8.694) 8.847 9.800 ( 0.000 1.639 8.694) 8.847 9.934 ( 0.000 -2.213 10.331) 10.566 9.934 ( 0.000 2.213 10.331) 10.566 10.078 ( 0.000 -0.196 4.151) 4.155 10.078 ( 0.000 0.196 4.151) 4.155 11.817 ( 0.000 -3.062 -6.127) 6.850 11.817 ( 0.000 3.062 -6.127) 6.850 12.198 ( 0.000 -3.064 2.286) 3.823 12.198 ( 0.000 3.064 2.286) 3.823 12.722 ( 0.000 -2.456 4.952) 5.528 12.722 ( 0.000 2.456 4.952) 5.528 12.746 ( 0.000 -3.824 -10.489) 11.164 12.746 ( 0.000 3.824 -10.489) 11.164 12.950 ( 0.000 -1.107 -9.136) 9.202 12.950 ( 0.000 1.107 -9.136) 9.202 13.105 ( 0.000 -2.009 -0.052) 2.010 13.105 ( 0.000 2.009 -0.052) 2.010 14.318 ( 0.000 -2.484 -8.972) 9.310 14.318 ( 0.000 2.484 -8.972) 9.310 14.654 ( 0.000 -2.247 -8.199) 8.501 14.654 ( 0.000 2.247 -8.199) 8.501 15.680 ( 0.000 -0.064 -13.883) 13.883 15.680 ( 0.000 0.064 -13.883) 13.883 15.798 ( 0.000 -0.339 -13.191) 13.195 15.798 ( 0.000 0.339 -13.191) 13.195 15.878 ( 0.000 -0.492 27.782) 27.787 15.878 ( 0.000 0.492 27.782) 27.787 16.006 ( 0.000 -0.208 26.096) 26.097 16.006 ( 0.000 0.208 26.096) 26.097 16.200 ( 0.000 -0.686 -0.661) 0.953 16.200 ( 0.000 0.686 -0.661) 0.953 16.424 ( 0.000 -5.104 -11.162) 12.274 16.424 ( 0.000 5.104 -11.162) 12.274 18.322 ( 0.000 -1.248 27.697) 27.726 18.322 ( 0.000 1.248 27.697) 27.726 18.448 ( 0.000 -3.907 32.453) 32.688 18.448 ( 0.000 3.907 32.453) 32.688 18.685 ( 0.000 -1.522 1.755) 2.323 18.685 ( 0.000 1.522 1.755) 2.323 18.819 ( 0.000 -1.288 4.234) 4.425 18.819 ( 0.000 1.288 4.234) 4.425 19.866 ( 0.000 -2.481 2.481) 3.509 19.866 ( 0.000 2.481 2.481) 3.509 20.122 ( 0.000 -4.728 -3.702) 6.004 20.122 ( 0.000 4.728 -3.702) 6.004 20.191 ( 0.000 -3.864 3.615) 5.292 20.191 ( 0.000 3.864 3.615) 5.292 20.398 ( 0.000 -1.933 -4.296) 4.711 20.398 ( 0.000 1.933 -4.296) 4.711 21.888 ( 0.000 -0.860 13.993) 14.019 21.888 ( 0.000 0.860 13.993) 14.019 21.949 ( 0.000 -0.402 13.624) 13.630 21.949 ( 0.000 0.402 13.624) 13.630 22.569 ( 0.000 -0.217 -10.025) 10.027 22.569 ( 0.000 0.217 -10.025) 10.027 22.723 ( 0.000 -2.186 -7.587) 7.896 22.723 ( 0.000 2.186 -7.587) 7.896 23.423 ( 0.000 -0.611 -43.804) 43.808 23.423 ( 0.000 0.611 -43.804) 43.808 23.483 ( 0.000 -0.411 -42.961) 42.963 23.483 ( 0.000 0.411 -42.961) 42.963 24.932 ( 0.000 -0.722 -8.155) 8.186 24.932 ( 0.000 0.722 -8.155) 8.186 25.126 ( 0.000 -1.136 -6.061) 6.167 25.126 ( 0.000 1.136 -6.061) 6.167 25.379 ( 0.000 -2.541 44.851) 44.923 25.379 ( 0.000 2.541 44.851) 44.923 26.417 ( 0.000 -27.206 36.708) 45.691 26.417 ( 0.000 27.206 36.708) 45.691 26.988 ( 0.000 -1.331 13.154) 13.221 26.988 ( 0.000 1.331 13.154) 13.221 27.145 ( 0.000 -1.845 13.166) 13.294 27.145 ( 0.000 1.845 13.166) 13.294 27.420 ( 0.000 -0.995 -14.940) 14.973 27.420 ( 0.000 0.995 -14.940) 14.973 27.757 ( 0.000 -4.270 -18.093) 18.590 27.757 ( 0.000 4.270 -18.093) 18.590 28.848 ( 0.000 -3.225 5.910) 6.733 28.848 ( 0.000 3.225 5.910) 6.733 29.194 ( 0.000 -7.832 18.228) 19.839 29.194 ( 0.000 7.832 18.228) 19.839 30.485 ( 0.000 -1.320 -2.118) 2.496 30.485 ( 0.000 1.320 -2.118) 2.496 30.655 ( 0.000 -0.584 -2.070) 2.151 30.655 ( 0.000 0.584 -2.070) 2.151 32.138 ( 0.000 -4.480 -12.827) 13.587 32.138 ( 0.000 4.480 -12.827) 13.587 32.216 ( 0.000 -3.648 -16.238) 16.642 32.216 ( 0.000 3.648 -16.238) 16.642 32.651 ( 0.000 -6.744 -16.089) 17.445 32.651 ( 0.000 6.744 -16.089) 17.445 33.599 ( 0.000 -13.388 -39.005) 41.239 33.599 ( 0.000 13.388 -39.005) 41.239 39.676 ( 0.000 -1.481 2.668) 3.051 39.676 ( 0.000 1.481 2.668) 3.051 39.852 ( 0.000 -2.197 -4.467) 4.978 39.852 ( 0.000 2.197 -4.467) 4.978 40.103 ( 0.000 -3.228 1.110) 3.413 40.103 ( 0.000 3.228 1.110) 3.413 40.497 ( 0.000 -11.699 22.412) 25.281 40.497 ( 0.000 11.699 22.412) 25.281 41.020 ( 0.000 -2.273 12.214) 12.424 41.020 ( 0.000 2.273 12.214) 12.424 41.349 ( 0.000 -2.788 17.722) 17.940 41.349 ( 0.000 2.788 17.722) 17.940 41.866 ( 0.000 -3.357 -0.587) 3.408 41.866 ( 0.000 3.357 -0.587) 3.408 41.995 ( 0.000 -2.866 -11.367) 11.723 41.995 ( 0.000 2.866 -11.367) 11.723 ======================= Grid point 86 (34/72) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 1.516 -23.396 30.069) 38.129 2.338 ( 1.516 23.396 30.069) 38.129 2.448 ( 7.339 -20.509 17.885) 28.184 2.448 ( 7.339 20.509 17.885) 28.184 2.902 ( 11.992 -4.674 2.746) 13.160 2.902 ( 11.992 4.674 2.746) 13.160 3.458 ( 1.829 -2.175 7.667) 8.177 3.458 ( 1.829 2.175 7.667) 8.177 3.596 ( 3.411 -4.000 3.468) 6.298 3.596 ( 3.411 4.000 3.468) 6.298 4.006 ( -13.190 -6.532 19.846) 24.708 4.006 ( -13.190 6.532 19.846) 24.708 4.123 ( -8.427 -5.333 8.092) 12.843 4.123 ( -8.427 5.333 8.092) 12.843 4.480 ( -2.165 -10.515 35.373) 36.966 4.480 ( -2.165 10.515 35.373) 36.966 4.771 ( 14.776 -13.531 40.948) 45.586 4.771 ( 14.776 13.531 40.948) 45.586 5.059 ( 4.320 -14.270 20.114) 25.038 5.059 ( 4.320 14.270 20.114) 25.038 5.320 ( 0.499 -1.420 6.255) 6.433 5.320 ( 0.499 1.420 6.255) 6.433 5.577 ( -8.389 -3.246 4.522) 10.068 5.577 ( -8.389 3.246 4.522) 10.068 5.704 ( -1.242 -3.717 -2.007) 4.403 5.704 ( -1.242 3.717 -2.007) 4.403 6.042 ( -13.309 -2.488 1.071) 13.582 6.042 ( -13.309 2.488 1.071) 13.582 6.350 ( 16.094 -5.304 17.288) 24.208 6.350 ( 16.094 5.304 17.288) 24.208 6.686 ( 1.635 -4.427 -8.218) 9.476 6.686 ( 1.635 4.427 -8.218) 9.476 6.863 ( 9.476 -1.561 -5.481) 11.057 6.863 ( 9.476 1.561 -5.481) 11.057 6.981 ( 5.835 -2.570 -6.949) 9.431 6.981 ( 5.835 2.570 -6.949) 9.431 7.124 ( -1.400 -5.150 -9.888) 11.236 7.124 ( -1.400 5.150 -9.888) 11.236 7.205 ( 4.979 -1.282 -5.870) 7.803 7.205 ( 4.979 1.282 -5.870) 7.803 7.898 ( -4.640 -1.549 -1.089) 5.012 7.898 ( -4.640 1.549 -1.089) 5.012 8.152 ( -3.297 -3.798 -0.647) 5.071 8.152 ( -3.297 3.798 -0.647) 5.071 8.319 ( -22.946 -1.825 14.707) 27.316 8.319 ( -22.946 1.825 14.707) 27.316 8.436 ( -7.170 -2.135 6.503) 9.913 8.436 ( -7.170 2.135 6.503) 9.913 8.832 ( -6.512 -0.455 3.525) 7.419 8.832 ( -6.512 0.455 3.525) 7.419 8.968 ( -0.695 -6.275 -3.198) 7.077 8.968 ( -0.695 6.275 -3.198) 7.077 9.360 ( 3.151 -1.548 23.819) 24.076 9.360 ( 3.151 1.548 23.819) 24.076 9.448 ( 7.740 -3.339 15.462) 17.610 9.448 ( 7.740 3.339 15.462) 17.610 9.652 ( -2.834 -1.241 23.890) 24.090 9.652 ( -2.834 1.241 23.890) 24.090 9.943 ( 8.946 -1.753 6.917) 11.444 9.943 ( 8.946 1.753 6.917) 11.444 9.990 ( 6.126 -1.943 9.444) 11.423 9.990 ( 6.126 1.943 9.444) 11.423 10.193 ( 7.864 -1.737 2.576) 8.455 10.193 ( 7.864 1.737 2.576) 8.455 11.831 ( 1.391 -3.231 -6.485) 7.377 11.831 ( 1.391 3.231 -6.485) 7.377 12.181 ( -1.719 -3.056 2.607) 4.369 12.181 ( -1.719 3.056 2.607) 4.369 12.637 ( -5.835 -1.706 -1.912) 6.373 12.637 ( -5.835 1.706 -1.912) 6.373 12.709 ( -4.080 -2.540 -2.064) 5.230 12.709 ( -4.080 2.540 -2.064) 5.230 12.906 ( -4.228 -1.638 -7.589) 8.841 12.906 ( -4.228 1.638 -7.589) 8.841 13.058 ( -4.331 -1.628 0.902) 4.714 13.058 ( -4.331 1.628 0.902) 4.714 14.320 ( 0.093 -1.514 -9.018) 9.145 14.320 ( 0.093 1.514 -9.018) 9.145 14.622 ( -3.321 -0.503 -9.320) 9.907 14.622 ( -3.321 0.503 -9.320) 9.907 15.683 ( 0.480 -0.211 -13.015) 13.026 15.683 ( 0.480 0.211 -13.015) 13.026 15.784 ( -1.145 -0.422 -11.427) 11.492 15.784 ( -1.145 0.422 -11.427) 11.492 15.900 ( 1.950 -0.203 27.799) 27.868 15.900 ( 1.950 0.203 27.799) 27.868 16.012 ( 0.332 -0.345 26.585) 26.590 16.012 ( 0.332 0.345 26.585) 26.590 16.242 ( 3.887 -0.686 -3.972) 5.600 16.242 ( 3.887 0.686 -3.972) 5.600 16.443 ( 1.499 -4.285 -11.385) 12.257 16.443 ( 1.499 4.285 -11.385) 12.257 18.317 ( -0.568 -0.510 27.736) 27.746 18.317 ( -0.568 0.510 27.736) 27.746 18.405 ( -2.831 -1.890 30.017) 30.210 18.405 ( -2.831 1.890 30.017) 30.210 18.717 ( 2.559 -1.338 1.766) 3.385 18.717 ( 2.559 1.338 1.766) 3.385 18.835 ( 1.242 -0.905 4.759) 5.001 18.835 ( 1.242 0.905 4.759) 5.001 19.880 ( 1.263 -2.654 2.247) 3.700 19.880 ( 1.263 2.654 2.247) 3.700 20.087 ( -2.950 -4.553 -1.862) 5.736 20.087 ( -2.950 4.553 -1.862) 5.736 20.190 ( -0.196 -3.153 3.219) 4.510 20.190 ( -0.196 3.153 3.219) 4.510 20.407 ( 0.781 -1.526 -4.496) 4.812 20.407 ( 0.781 1.526 -4.496) 4.812 21.889 ( -0.020 -0.533 13.939) 13.949 21.889 ( -0.020 0.533 13.939) 13.949 21.933 ( -1.500 -0.297 13.961) 14.045 21.933 ( -1.500 0.297 13.961) 14.045 22.578 ( 0.913 -0.180 -9.816) 9.860 22.578 ( 0.913 0.180 -9.816) 9.860 22.707 ( -1.420 -1.758 -7.622) 7.950 22.707 ( -1.420 1.758 -7.622) 7.950 23.429 ( 0.408 -0.130 -44.068) 44.070 23.429 ( 0.408 0.130 -44.068) 44.070 23.481 ( -0.127 -0.116 -43.294) 43.294 23.481 ( -0.127 0.116 -43.294) 43.294 24.952 ( 1.694 -0.060 -6.412) 6.632 24.952 ( 1.694 0.060 -6.412) 6.632 25.112 ( -1.132 -0.019 -4.883) 5.013 25.112 ( -1.132 0.019 -4.883) 5.013 25.402 ( 2.250 -2.228 43.010) 43.126 25.402 ( 2.250 2.228 43.010) 43.126 26.209 ( -15.753 -17.085 38.956) 45.361 26.209 ( -15.753 17.085 38.956) 45.361 27.073 ( 4.781 -3.318 11.506) 12.894 27.073 ( 4.781 3.318 11.506) 12.894 27.227 ( 7.588 -2.078 9.569) 12.388 27.227 ( 7.588 2.078 9.569) 12.388 27.453 ( 2.861 -1.160 -14.012) 14.348 27.453 ( 2.861 1.160 -14.012) 14.348 27.747 ( -1.089 -3.576 -16.381) 16.802 27.747 ( -1.089 3.576 -16.381) 16.802 28.819 ( -2.619 -2.477 7.509) 8.330 28.819 ( -2.619 2.477 7.509) 8.330 29.072 ( -9.618 -4.073 17.221) 20.141 29.072 ( -9.618 4.073 17.221) 20.141 30.522 ( 2.741 -2.039 -3.633) 4.987 30.522 ( 2.741 2.039 -3.633) 4.987 30.648 ( -0.632 -0.823 -2.717) 2.909 30.648 ( -0.632 0.823 -2.717) 2.909 32.104 ( 1.886 -6.952 -12.756) 14.649 32.104 ( 1.886 6.952 -12.756) 14.649 32.376 ( 6.879 -1.968 -16.094) 17.612 32.376 ( 6.879 1.968 -16.094) 17.612 32.753 ( 10.666 -1.131 -19.319) 22.096 32.753 ( 10.666 1.131 -19.319) 22.096 33.565 ( -3.043 -11.377 -37.056) 38.883 33.565 ( -3.043 11.377 -37.056) 38.883 39.679 ( 0.304 -1.301 2.981) 3.266 39.679 ( 0.304 1.301 2.981) 3.266 39.871 ( 1.221 -1.140 0.589) 1.772 39.871 ( 1.221 1.140 0.589) 1.772 40.063 ( -2.518 -3.576 2.324) 4.952 40.063 ( -2.518 3.576 2.324) 4.952 40.593 ( 7.640 -7.169 11.711) 15.713 40.593 ( 7.640 7.169 11.711) 15.713 41.009 ( -0.529 -1.908 11.155) 11.329 41.009 ( -0.529 1.908 11.155) 11.329 41.299 ( -3.805 -3.397 14.420) 15.295 41.299 ( -3.805 3.397 14.420) 15.295 41.832 ( -3.341 -3.073 1.928) 4.932 41.832 ( -3.341 3.073 1.928) 4.932 42.070 ( 5.915 -0.478 -9.512) 11.211 42.070 ( 5.915 0.478 -9.512) 11.211 ======================= Grid point 88 (35/72) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 8.604 -17.870 26.922) 33.438 2.446 ( 8.604 17.870 26.922) 33.438 2.682 ( 14.464 -6.836 5.965) 17.074 2.682 ( 14.464 6.836 5.965) 17.074 3.197 ( 15.075 -2.664 -2.916) 15.584 3.197 ( 15.075 2.664 -2.916) 15.584 3.461 ( -0.882 -3.009 -0.243) 3.145 3.461 ( -0.882 3.009 -0.243) 3.145 3.539 ( -10.354 -3.477 8.539) 13.864 3.539 ( -10.354 3.477 8.539) 13.864 3.818 ( -3.593 -1.907 4.657) 6.184 3.818 ( -3.593 1.907 4.657) 6.184 3.941 ( -7.501 -2.549 7.849) 11.152 3.941 ( -7.501 2.549 7.849) 11.152 4.353 ( -9.811 -5.435 12.073) 16.478 4.353 ( -9.811 5.435 12.073) 16.478 4.891 ( -6.669 -3.933 28.907) 29.926 4.891 ( -6.669 3.933 28.907) 29.926 5.179 ( 4.823 -15.971 20.492) 26.425 5.179 ( 4.823 15.971 20.492) 26.425 5.314 ( -0.493 -5.648 7.433) 9.349 5.314 ( -0.493 5.648 7.433) 9.349 5.590 ( 7.280 -1.544 15.316) 17.028 5.590 ( 7.280 1.544 15.316) 17.028 5.722 ( 2.257 -4.021 17.972) 18.555 5.722 ( 2.257 4.021 17.972) 18.555 5.881 ( 5.350 -5.803 13.202) 15.382 5.881 ( 5.350 5.803 13.202) 15.382 6.656 ( 10.803 -1.778 12.215) 16.403 6.656 ( 10.803 1.778 12.215) 16.403 6.746 ( 5.258 -1.765 1.082) 5.651 6.746 ( 5.258 1.765 1.082) 5.651 6.903 ( -2.018 -5.214 -6.829) 8.825 6.903 ( -2.018 5.214 -6.829) 8.825 7.088 ( 2.428 -3.934 -3.187) 5.615 7.088 ( 2.428 3.934 -3.187) 5.615 7.200 ( 8.004 -1.639 -6.224) 10.271 7.200 ( 8.004 1.639 -6.224) 10.271 7.310 ( -0.021 -0.932 7.052) 7.113 7.310 ( -0.021 0.932 7.052) 7.113 7.760 ( -22.227 -5.600 19.178) 29.886 7.760 ( -22.227 5.600 19.178) 29.886 7.837 ( -0.880 -2.239 0.673) 2.499 7.837 ( -0.880 2.239 0.673) 2.499 8.082 ( -4.823 -0.403 -6.236) 7.894 8.082 ( -4.823 0.403 -6.236) 7.894 8.323 ( -7.781 -0.450 3.483) 8.537 8.323 ( -7.781 0.450 3.483) 8.537 8.728 ( -3.036 -1.201 7.974) 8.617 8.728 ( -3.036 1.201 7.974) 8.617 8.957 ( -0.344 -3.946 -1.574) 4.262 8.957 ( -0.344 3.946 -1.574) 4.262 9.356 ( -2.902 -0.971 22.055) 22.267 9.356 ( -2.902 0.971 22.055) 22.267 9.461 ( -0.068 -2.010 16.645) 16.766 9.461 ( -0.068 2.010 16.645) 16.766 9.815 ( 11.635 -3.129 10.234) 15.808 9.815 ( 11.635 3.129 10.234) 15.808 10.026 ( 0.696 -2.445 16.918) 17.108 10.026 ( 0.696 2.445 16.918) 17.108 10.137 ( 6.409 -1.876 1.785) 6.912 10.137 ( 6.409 1.876 1.785) 6.912 10.309 ( 2.633 -3.515 -5.478) 7.021 10.309 ( 2.633 3.515 -5.478) 7.021 11.869 ( 2.136 -2.936 -7.893) 8.688 11.869 ( 2.136 2.936 -7.893) 8.688 12.130 ( -3.196 -2.608 2.035) 4.600 12.130 ( -3.196 2.608 2.035) 4.600 12.565 ( -0.903 -1.273 -0.753) 1.733 12.565 ( -0.903 1.273 -0.753) 1.733 12.622 ( -3.068 -1.815 0.287) 3.576 12.622 ( -3.068 1.815 0.287) 3.576 12.797 ( -6.024 -2.391 -4.478) 7.878 12.797 ( -6.024 2.391 -4.478) 7.878 12.952 ( -5.484 -0.934 3.181) 6.408 12.952 ( -5.484 0.934 3.181) 6.408 14.331 ( 1.638 -0.455 -9.272) 9.427 14.331 ( 1.638 0.455 -9.272) 9.427 14.523 ( -6.146 -2.000 -10.377) 12.226 14.523 ( -6.146 2.000 -10.377) 12.226 15.702 ( 1.396 -0.527 -11.131) 11.230 15.702 ( 1.396 0.527 -11.131) 11.230 15.760 ( -1.249 -0.578 -9.355) 9.456 15.760 ( -1.249 0.578 -9.355) 9.456 15.943 ( 2.026 -0.212 27.050) 27.127 15.943 ( 2.026 0.212 27.050) 27.127 16.012 ( -0.366 -0.377 26.683) 26.688 16.012 ( -0.366 0.377 26.683) 26.688 16.335 ( 4.784 -0.727 -7.742) 9.130 16.335 ( 4.784 0.727 -7.742) 9.130 16.461 ( -0.089 -2.483 -11.444) 11.710 16.461 ( -0.089 2.483 -11.444) 11.710 18.305 ( -0.332 -0.900 27.838) 27.855 18.305 ( -0.332 0.900 27.838) 27.855 18.370 ( -0.868 -0.511 25.845) 25.864 18.370 ( -0.868 0.511 25.845) 25.864 18.772 ( 2.745 -0.751 1.917) 3.432 18.772 ( 2.745 0.751 1.917) 3.432 18.852 ( 0.191 -0.457 4.382) 4.410 18.852 ( 0.191 0.457 4.382) 4.410 19.912 ( 1.874 -2.820 1.663) 3.773 19.912 ( 1.874 2.820 1.663) 3.773 20.024 ( -2.991 -3.780 0.388) 4.836 20.024 ( -2.991 3.780 0.388) 4.836 20.183 ( -0.410 -1.705 3.383) 3.811 20.183 ( -0.410 1.705 3.383) 3.811 20.424 ( 0.736 -0.725 -4.841) 4.950 20.424 ( 0.736 0.725 -4.841) 4.950 21.885 ( -0.351 -0.166 14.139) 14.145 21.885 ( -0.351 0.166 14.139) 14.145 21.899 ( -1.489 -0.273 14.445) 14.524 21.899 ( -1.489 0.273 14.445) 14.524 22.603 ( 1.493 -0.194 -9.362) 9.482 22.603 ( 1.493 0.194 -9.362) 9.482 22.674 ( -1.726 -1.012 -7.908) 8.157 22.674 ( -1.726 1.012 -7.908) 8.157 23.432 ( -0.069 -0.379 -44.285) 44.287 23.432 ( -0.069 0.379 -44.285) 44.287 23.481 ( 0.100 -0.260 -43.959) 43.960 23.481 ( 0.100 0.260 -43.959) 43.960 24.982 ( 0.902 -0.965 -3.097) 3.367 24.982 ( 0.902 0.965 -3.097) 3.367 25.096 ( -0.267 -1.421 -3.172) 3.486 25.096 ( -0.267 1.421 -3.172) 3.486 25.468 ( 4.234 -2.082 39.529) 39.809 25.468 ( 4.234 2.082 39.529) 39.809 25.910 ( -12.826 -8.089 40.382) 43.135 25.910 ( -12.826 8.089 40.382) 43.135 27.152 ( 3.126 -1.346 11.363) 11.862 27.152 ( 3.126 1.346 11.363) 11.862 27.376 ( 6.020 -2.978 3.748) 7.691 27.376 ( 6.020 2.978 3.748) 7.691 27.516 ( 3.037 -1.348 -14.391) 14.770 27.516 ( 3.037 1.348 -14.391) 14.770 27.710 ( -2.570 -2.021 -12.287) 12.714 27.710 ( -2.570 2.021 -12.287) 12.714 28.760 ( -2.770 -1.061 10.723) 11.126 28.760 ( -2.770 1.061 10.723) 11.126 28.903 ( -6.051 -0.668 14.129) 15.385 28.903 ( -6.051 0.668 14.129) 15.385 30.570 ( 1.965 -2.005 -4.904) 5.651 30.570 ( 1.965 2.005 -4.904) 5.651 30.630 ( -1.147 -1.219 -4.221) 4.541 30.630 ( -1.147 1.219 -4.221) 4.541 32.202 ( 6.876 -9.568 -13.493) 17.913 32.202 ( 6.876 9.568 -13.493) 17.913 32.421 ( -1.458 -8.831 -15.288) 17.716 32.421 ( -1.458 8.831 -15.288) 17.716 32.993 ( 10.338 -3.574 -23.522) 25.941 32.993 ( 10.338 3.574 -23.522) 25.941 33.499 ( -2.944 -6.470 -33.412) 34.160 33.499 ( -2.944 6.470 -33.412) 34.160 39.687 ( 0.395 -0.798 3.728) 3.833 39.687 ( 0.395 0.798 3.728) 3.833 39.875 ( -0.745 -0.318 9.840) 9.873 39.875 ( -0.745 0.318 9.840) 9.873 40.042 ( 0.306 -2.082 -1.367) 2.509 40.042 ( 0.306 2.082 -1.367) 2.509 40.718 ( 3.491 -1.358 -1.992) 4.243 40.718 ( 3.491 1.358 -1.992) 4.243 41.042 ( 4.485 -0.277 10.014) 10.976 41.042 ( 4.485 0.277 10.014) 10.976 41.228 ( -3.189 -3.651 11.206) 12.210 41.228 ( -3.189 3.651 11.206) 12.210 41.745 ( -4.713 -1.770 4.567) 6.798 41.745 ( -4.713 1.770 4.567) 6.798 42.174 ( 3.746 -0.921 -6.483) 7.544 42.174 ( 3.746 0.921 -6.483) 7.544 ======================= Grid point 90 (36/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 0.000 0.000 27.571) 27.571 2.574 ( 0.000 0.000 27.571) 27.571 2.872 ( 0.000 0.000 0.691) 0.691 2.872 ( 0.000 0.000 0.691) 0.691 3.305 ( 0.000 0.000 -2.887) 2.887 3.305 ( 0.000 0.000 -2.887) 2.887 3.417 ( 0.000 0.000 -3.860) 3.860 3.417 ( 0.000 0.000 -3.860) 3.860 3.512 ( 0.000 0.000 -8.065) 8.065 3.512 ( 0.000 0.000 -8.065) 8.065 3.728 ( 0.000 0.000 7.780) 7.780 3.728 ( 0.000 0.000 7.780) 7.780 3.909 ( 0.000 0.000 4.683) 4.683 3.909 ( 0.000 0.000 4.683) 4.683 4.197 ( 0.000 0.000 10.930) 10.930 4.197 ( 0.000 0.000 10.930) 10.930 4.781 ( 0.000 0.000 34.573) 34.573 4.781 ( 0.000 0.000 34.573) 34.573 5.226 ( -0.000 -0.000 10.786) 10.786 5.226 ( -0.000 0.000 10.786) 10.786 5.296 ( 0.000 -0.000 4.720) 4.720 5.296 ( 0.000 0.000 4.720) 4.720 5.652 ( 0.000 -0.000 29.204) 29.204 5.652 ( 0.000 0.000 29.204) 29.204 5.692 ( -0.000 0.000 4.106) 4.106 5.692 ( 0.000 0.000 4.106) 4.106 6.157 ( -0.000 0.000 22.488) 22.488 6.157 ( 0.000 0.000 22.488) 22.488 6.766 ( 0.000 -0.000 -1.242) 1.242 6.766 ( 0.000 0.000 -1.242) 1.242 6.811 ( 0.000 0.000 21.472) 21.472 6.811 ( 0.000 0.000 21.472) 21.472 6.858 ( 0.000 0.000 -1.108) 1.108 6.858 ( 0.000 0.000 -1.108) 1.108 7.146 ( -0.000 0.000 19.178) 19.178 7.146 ( 0.000 0.000 19.178) 19.178 7.155 ( 0.000 -0.000 3.462) 3.462 7.155 ( 0.000 -0.000 3.462) 3.462 7.302 ( 0.000 0.000 -2.737) 2.737 7.302 ( 0.000 0.000 -2.737) 2.737 7.522 ( 0.000 0.000 4.555) 4.555 7.522 ( -0.000 -0.000 4.555) 4.555 7.964 ( -0.000 -0.000 -10.400) 10.400 7.964 ( 0.000 0.000 -10.400) 10.400 7.980 ( -0.000 0.000 3.847) 3.847 7.980 ( 0.000 0.000 3.847) 3.847 8.188 ( 0.000 0.000 2.850) 2.850 8.188 ( 0.000 0.000 2.850) 2.850 8.703 ( 0.000 0.000 9.971) 9.971 8.703 ( 0.000 0.000 9.971) 9.971 8.954 ( 0.000 0.000 -0.344) 0.344 8.954 ( 0.000 0.000 -0.344) 0.344 9.304 ( 0.000 0.000 17.542) 17.542 9.304 ( 0.000 0.000 17.542) 17.542 9.487 ( 0.000 0.000 16.134) 16.134 9.487 ( 0.000 0.000 16.134) 16.134 9.927 ( 0.000 0.000 14.422) 14.422 9.927 ( 0.000 0.000 14.422) 14.422 10.044 ( -0.000 0.000 8.640) 8.640 10.044 ( 0.000 0.000 8.640) 8.640 10.210 ( 0.000 0.000 9.773) 9.773 10.210 ( 0.000 0.000 9.773) 9.773 10.315 ( 0.000 0.000 -14.072) 14.072 10.315 ( 0.000 0.000 -14.072) 14.072 11.897 ( 0.000 0.000 -8.899) 8.899 11.897 ( 0.000 0.000 -8.899) 8.899 12.086 ( 0.000 0.000 0.473) 0.473 12.086 ( 0.000 0.000 0.473) 0.473 12.552 ( 0.000 0.000 4.717) 4.717 12.552 ( 0.000 0.000 4.717) 4.717 12.632 ( 0.000 -0.000 -1.583) 1.583 12.632 ( -0.000 -0.000 -1.583) 1.583 12.704 ( 0.000 0.000 -4.415) 4.415 12.704 ( 0.000 0.000 -4.415) 4.415 12.886 ( 0.000 0.000 5.261) 5.261 12.886 ( 0.000 0.000 5.261) 5.261 14.391 ( -0.000 0.000 -9.342) 9.342 14.391 ( 0.000 0.000 -9.342) 9.342 14.412 ( -0.000 -0.000 -10.732) 10.732 14.412 ( 0.000 -0.000 -10.732) 10.732 15.732 ( -0.000 -0.000 -8.638) 8.638 15.732 ( 0.000 0.000 -8.638) 8.638 15.733 ( 0.000 0.000 -10.277) 10.277 15.733 ( 0.000 0.000 -10.277) 10.277 15.968 ( 0.000 0.000 26.504) 26.504 15.968 ( 0.000 0.000 26.504) 26.504 16.004 ( -0.000 0.000 26.554) 26.554 16.004 ( 0.000 0.000 26.554) 26.554 16.402 ( 0.000 0.000 -8.444) 8.444 16.402 ( 0.000 0.000 -8.444) 8.444 16.444 ( 0.000 0.000 -11.787) 11.787 16.444 ( 0.000 0.000 -11.787) 11.787 18.304 ( 0.000 0.000 27.428) 27.428 18.304 ( 0.000 0.000 27.428) 27.428 18.361 ( 0.000 0.000 24.050) 24.050 18.361 ( 0.000 0.000 24.050) 24.050 18.809 ( 0.000 0.000 3.279) 3.279 18.809 ( 0.000 0.000 3.279) 3.279 18.846 ( 0.000 0.000 2.914) 2.914 18.846 ( 0.000 0.000 2.914) 2.914 19.942 ( 0.000 0.000 0.599) 0.599 19.942 ( 0.000 0.000 0.599) 0.599 19.983 ( -0.000 -0.000 2.050) 2.050 19.983 ( 0.000 0.000 2.050) 2.050 20.178 ( 0.000 0.000 3.515) 3.515 20.178 ( 0.000 0.000 3.515) 3.515 20.432 ( 0.000 0.000 -4.998) 4.998 20.432 ( 0.000 0.000 -4.998) 4.998 21.878 ( 0.000 -0.000 15.120) 15.120 21.878 ( 0.000 0.000 15.120) 15.120 21.885 ( 0.000 0.000 13.834) 13.834 21.885 ( 0.000 0.000 13.834) 13.834 22.630 ( 0.000 0.000 -9.235) 9.235 22.630 ( 0.000 0.000 -9.235) 9.235 22.646 ( -0.000 0.000 -8.009) 8.009 22.646 ( 0.000 0.000 -8.009) 8.009 23.430 ( 0.000 0.000 -44.323) 44.323 23.430 ( 0.000 0.000 -44.323) 44.323 23.482 ( 0.000 -0.000 -44.245) 44.245 23.482 ( 0.000 0.000 -44.245) 44.245 24.989 ( 0.000 0.000 -1.893) 1.893 24.989 ( 0.000 0.000 -1.893) 1.893 25.095 ( 0.000 0.000 -1.939) 1.939 25.095 ( 0.000 0.000 -1.939) 1.939 25.536 ( -0.000 0.000 36.302) 36.302 25.536 ( 0.000 0.000 36.302) 36.302 25.754 ( 0.000 0.000 41.808) 41.808 25.754 ( 0.000 0.000 41.808) 41.808 27.186 ( 0.000 0.000 11.324) 11.324 27.186 ( 0.000 0.000 11.324) 11.324 27.440 ( 0.000 0.000 2.538) 2.538 27.440 ( 0.000 0.000 2.538) 2.538 27.556 ( 0.000 0.000 -17.689) 17.689 27.556 ( 0.000 0.000 -17.689) 17.689 27.670 ( -0.000 0.000 -8.212) 8.212 27.670 ( 0.000 0.000 -8.212) 8.212 28.729 ( 0.000 0.000 12.009) 12.009 28.729 ( 0.000 0.000 12.009) 12.009 28.843 ( 0.000 0.000 12.729) 12.729 28.843 ( 0.000 0.000 12.729) 12.729 30.600 ( 0.000 -0.000 -3.192) 3.192 30.600 ( -0.000 0.000 -3.192) 3.192 30.607 ( 0.000 -0.000 -6.960) 6.960 30.607 ( 0.000 0.000 -6.960) 6.960 32.330 ( -0.000 -0.000 -14.076) 14.076 32.330 ( -0.000 0.000 -14.076) 14.076 32.351 ( 0.000 -0.000 -15.262) 15.262 32.351 ( 0.000 0.000 -15.262) 15.262 33.102 ( 0.000 0.000 -24.531) 24.531 33.102 ( 0.000 0.000 -24.531) 24.531 33.467 ( 0.000 0.000 -31.644) 31.644 33.467 ( 0.000 0.000 -31.644) 31.644 39.691 ( 0.000 0.000 4.152) 4.152 39.691 ( 0.000 0.000 4.152) 4.152 39.864 ( 0.000 -0.000 11.917) 11.917 39.864 ( 0.000 0.000 11.917) 11.917 40.049 ( 0.000 0.000 -1.975) 1.975 40.049 ( 0.000 0.000 -1.975) 1.975 40.744 ( 0.000 0.000 -5.436) 5.436 40.744 ( 0.000 0.000 -5.436) 5.436 41.137 ( -0.000 -0.000 8.024) 8.024 41.137 ( 0.000 0.000 8.024) 8.024 41.166 ( 0.000 0.000 9.567) 9.567 41.166 ( 0.000 0.000 9.567) 9.567 41.687 ( 0.000 0.000 6.383) 6.383 41.687 ( 0.000 0.000 6.383) 6.383 42.211 ( 0.000 0.000 -5.379) 5.379 42.211 ( 0.000 0.000 -5.379) 5.379 ======================= Grid point 105 (37/72) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.000 0.000 44.536) 44.536 2.814 ( 0.000 0.000 32.107) 32.107 2.840 ( 0.000 0.000 11.825) 11.825 2.960 ( 0.000 0.000 7.997) 7.997 3.292 ( 0.000 0.000 15.936) 15.936 3.413 ( 0.000 0.000 7.166) 7.166 3.476 ( 0.000 0.000 3.088) 3.088 3.586 ( 0.000 0.000 11.360) 11.360 3.726 ( 0.000 0.000 1.439) 1.439 3.865 ( 0.000 0.000 0.997) 0.997 4.158 ( 0.000 0.000 24.251) 24.251 4.355 ( 0.000 0.000 12.057) 12.057 4.381 ( 0.000 0.000 21.216) 21.216 4.617 ( 0.000 0.000 15.703) 15.703 4.997 ( 0.000 0.000 16.032) 16.032 5.177 ( 0.000 0.000 -12.273) 12.273 5.196 ( 0.000 0.000 30.865) 30.865 5.400 ( 0.000 0.000 52.556) 52.556 5.409 ( 0.000 0.000 11.877) 11.877 5.455 ( 0.000 0.000 5.308) 5.308 5.487 ( 0.000 0.000 23.038) 23.038 5.565 ( 0.000 0.000 -5.911) 5.911 5.765 ( 0.000 0.000 4.810) 4.810 5.801 ( 0.000 0.000 4.692) 4.692 5.850 ( 0.000 0.000 20.974) 20.974 5.852 ( 0.000 0.000 33.299) 33.299 6.019 ( 0.000 0.000 -5.874) 5.874 6.081 ( 0.000 0.000 -8.548) 8.548 6.153 ( 0.000 0.000 -3.821) 3.821 6.252 ( 0.000 0.000 -14.485) 14.485 6.399 ( 0.000 0.000 -24.044) 24.044 6.416 ( 0.000 0.000 -9.935) 9.935 6.419 ( 0.000 0.000 -3.592) 3.592 6.811 ( 0.000 0.000 -11.292) 11.292 6.839 ( 0.000 0.000 -5.247) 5.247 6.883 ( 0.000 0.000 37.443) 37.443 6.989 ( 0.000 0.000 -14.694) 14.694 6.994 ( 0.000 0.000 -16.188) 16.188 7.187 ( 0.000 0.000 -14.041) 14.041 7.254 ( 0.000 0.000 28.449) 28.449 7.734 ( 0.000 0.000 -11.756) 11.756 7.897 ( 0.000 0.000 -11.384) 11.384 8.119 ( 0.000 0.000 2.811) 2.811 8.176 ( 0.000 0.000 -8.025) 8.025 8.313 ( 0.000 0.000 -6.451) 6.451 8.383 ( 0.000 0.000 -1.309) 1.309 8.620 ( 0.000 0.000 -7.122) 7.122 8.727 ( 0.000 0.000 -7.174) 7.174 8.962 ( 0.000 0.000 -1.470) 1.470 9.016 ( 0.000 0.000 -0.013) 0.013 9.036 ( 0.000 0.000 -1.644) 1.644 9.169 ( 0.000 0.000 -6.314) 6.314 9.272 ( 0.000 0.000 3.984) 3.984 9.315 ( 0.000 0.000 0.918) 0.918 9.358 ( 0.000 0.000 -0.350) 0.350 9.611 ( 0.000 0.000 -15.981) 15.981 10.145 ( 0.000 0.000 24.200) 24.200 10.295 ( 0.000 0.000 26.821) 26.821 10.297 ( 0.000 0.000 22.717) 22.717 10.356 ( 0.000 0.000 49.494) 49.494 10.381 ( 0.000 0.000 28.754) 28.754 10.471 ( 0.000 0.000 31.599) 31.599 10.543 ( 0.000 0.000 38.721) 38.721 10.621 ( 0.000 0.000 48.202) 48.202 11.608 ( 0.000 0.000 -4.918) 4.918 11.912 ( 0.000 0.000 -11.525) 11.525 11.931 ( 0.000 0.000 1.049) 1.049 12.279 ( 0.000 0.000 -6.625) 6.625 12.564 ( 0.000 0.000 6.276) 6.276 12.725 ( 0.000 0.000 0.413) 0.413 12.760 ( 0.000 0.000 4.098) 4.098 12.764 ( 0.000 0.000 -1.008) 1.008 12.885 ( 0.000 0.000 2.021) 2.021 12.992 ( 0.000 0.000 -4.838) 4.838 12.997 ( 0.000 0.000 6.440) 6.440 13.098 ( 0.000 0.000 -5.332) 5.332 14.011 ( 0.000 0.000 -17.066) 17.066 14.179 ( 0.000 0.000 -15.133) 15.133 14.286 ( 0.000 0.000 -18.641) 18.641 14.480 ( 0.000 0.000 -14.993) 14.993 15.475 ( 0.000 0.000 -5.497) 5.497 15.489 ( 0.000 0.000 -5.035) 5.035 15.594 ( 0.000 0.000 -5.756) 5.756 15.611 ( 0.000 0.000 -5.353) 5.353 15.838 ( 0.000 0.000 -9.003) 9.003 15.955 ( 0.000 0.000 -10.974) 10.974 15.987 ( 0.000 0.000 -9.936) 9.936 16.204 ( 0.000 0.000 -11.885) 11.885 16.746 ( 0.000 0.000 40.896) 40.896 16.754 ( 0.000 0.000 42.900) 42.900 16.818 ( 0.000 0.000 39.361) 39.361 16.819 ( 0.000 0.000 40.226) 40.226 18.625 ( 0.000 0.000 -4.097) 4.097 18.751 ( 0.000 0.000 -2.470) 2.470 18.771 ( 0.000 0.000 -3.156) 3.156 18.810 ( 0.000 0.000 25.472) 25.472 18.863 ( 0.000 0.000 -2.842) 2.842 18.947 ( 0.000 0.000 28.317) 28.317 19.008 ( 0.000 0.000 32.899) 32.899 19.175 ( 0.000 0.000 29.305) 29.305 19.883 ( 0.000 0.000 3.157) 3.157 19.971 ( 0.000 0.000 -0.459) 0.459 19.996 ( 0.000 0.000 1.644) 1.644 20.127 ( 0.000 0.000 1.362) 1.362 20.225 ( 0.000 0.000 4.266) 4.266 20.264 ( 0.000 0.000 -5.668) 5.668 20.280 ( 0.000 0.000 -2.280) 2.280 20.356 ( 0.000 0.000 -2.048) 2.048 22.104 ( 0.000 0.000 -0.563) 0.563 22.150 ( 0.000 0.000 -4.683) 4.683 22.155 ( 0.000 0.000 0.234) 0.234 22.191 ( 0.000 0.000 5.552) 5.552 22.397 ( 0.000 0.000 -6.398) 6.398 22.419 ( 0.000 0.000 -5.958) 5.958 22.479 ( 0.000 0.000 -43.536) 43.536 22.503 ( 0.000 0.000 -44.926) 44.926 22.532 ( 0.000 0.000 -5.284) 5.284 22.606 ( 0.000 0.000 -30.412) 30.412 22.632 ( 0.000 0.000 -5.619) 5.619 22.655 ( 0.000 0.000 -29.308) 29.308 24.798 ( 0.000 0.000 -0.425) 0.425 24.903 ( 0.000 0.000 2.214) 2.214 25.024 ( 0.000 0.000 1.736) 1.736 25.143 ( 0.000 0.000 5.206) 5.206 26.137 ( 0.000 0.000 31.444) 31.444 26.367 ( 0.000 0.000 36.645) 36.645 26.391 ( 0.000 0.000 3.493) 3.493 26.878 ( 0.000 0.000 -29.259) 29.259 27.126 ( 0.000 0.000 -20.476) 20.476 27.170 ( 0.000 0.000 8.173) 8.173 27.225 ( 0.000 0.000 -4.547) 4.547 27.250 ( 0.000 0.000 -17.370) 17.370 27.262 ( 0.000 0.000 7.194) 7.194 27.283 ( 0.000 0.000 7.954) 7.954 27.379 ( 0.000 0.000 7.126) 7.126 27.446 ( 0.000 0.000 -6.567) 6.567 29.066 ( 0.000 0.000 19.835) 19.835 29.088 ( 0.000 0.000 13.564) 13.564 29.524 ( 0.000 0.000 28.804) 28.804 29.905 ( 0.000 0.000 19.019) 19.019 30.410 ( 0.000 0.000 -4.779) 4.779 30.440 ( 0.000 0.000 -1.163) 1.163 30.646 ( 0.000 0.000 0.383) 0.383 30.667 ( 0.000 0.000 0.832) 0.832 31.778 ( 0.000 0.000 -13.008) 13.008 31.803 ( 0.000 0.000 -15.923) 15.923 31.990 ( 0.000 0.000 -16.757) 16.757 32.039 ( 0.000 0.000 -14.519) 14.519 32.078 ( 0.000 0.000 -18.723) 18.723 32.392 ( 0.000 0.000 -21.571) 21.571 32.593 ( 0.000 0.000 -27.073) 27.073 33.027 ( 0.000 0.000 -38.751) 38.751 39.639 ( 0.000 0.000 -1.673) 1.673 39.698 ( 0.000 0.000 -5.374) 5.374 39.745 ( 0.000 0.000 -0.093) 0.093 39.858 ( 0.000 0.000 -5.529) 5.529 40.024 ( 0.000 0.000 4.624) 4.624 40.243 ( 0.000 0.000 5.342) 5.342 40.761 ( 0.000 0.000 15.695) 15.695 41.027 ( 0.000 0.000 -18.722) 18.722 41.147 ( 0.000 0.000 9.654) 9.654 41.235 ( 0.000 0.000 11.677) 11.677 41.288 ( 0.000 0.000 9.560) 9.560 41.643 ( 0.000 0.000 17.076) 17.076 41.734 ( 0.000 0.000 -21.074) 21.074 41.759 ( 0.000 0.000 17.112) 17.112 41.837 ( 0.000 0.000 10.153) 10.153 42.466 ( 0.000 0.000 -0.530) 0.530 ======================= Grid point 106 (38/72) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 13.411 0.000 41.972) 44.063 2.770 ( -3.015 0.000 26.142) 26.315 2.900 ( 1.473 0.000 6.960) 7.114 2.995 ( 3.687 0.000 6.209) 7.221 3.005 ( -7.408 0.000 11.255) 13.475 3.466 ( -2.952 0.000 -2.260) 3.718 3.583 ( -3.649 0.000 8.193) 8.969 3.622 ( 1.653 0.000 1.290) 2.097 3.724 ( -8.411 0.000 5.021) 9.795 3.747 ( 3.634 0.000 1.575) 3.961 4.134 ( -2.244 0.000 24.111) 24.215 4.231 ( -9.914 0.000 20.519) 22.788 4.330 ( -2.597 0.000 18.228) 18.412 4.552 ( -5.163 0.000 16.807) 17.582 4.708 ( -30.286 0.000 23.762) 38.495 4.869 ( -14.928 0.000 17.832) 23.255 5.257 ( 9.087 0.000 -8.543) 12.472 5.280 ( -12.718 0.000 23.425) 26.655 5.449 ( -2.858 0.000 5.469) 6.171 5.528 ( 5.818 0.000 11.992) 13.329 5.536 ( -0.414 0.000 22.350) 22.354 5.554 ( -5.809 0.000 3.152) 6.609 5.651 ( -4.149 0.000 5.921) 7.230 5.784 ( -2.907 0.000 9.281) 9.726 5.795 ( 11.688 0.000 26.046) 28.549 6.026 ( 1.907 0.000 1.677) 2.539 6.061 ( 1.108 0.000 0.219) 1.130 6.192 ( 24.183 0.000 32.098) 40.188 6.383 ( 6.261 0.000 -14.712) 15.989 6.445 ( 5.484 0.000 -7.321) 9.148 6.478 ( 17.991 0.000 -9.057) 20.142 6.566 ( 15.896 0.000 -18.728) 24.565 6.571 ( 9.373 0.000 -9.935) 13.658 6.739 ( -6.351 0.000 -7.728) 10.003 6.838 ( 0.779 0.000 -4.993) 5.053 6.972 ( 2.127 0.000 -11.923) 12.111 7.084 ( 8.587 0.000 -14.554) 16.898 7.090 ( 14.855 0.000 32.275) 35.530 7.182 ( 2.215 0.000 -12.756) 12.947 7.323 ( 7.005 0.000 29.170) 29.999 7.711 ( -2.048 0.000 -11.395) 11.578 7.801 ( -8.276 0.000 -11.474) 14.148 8.043 ( -7.233 0.000 -1.158) 7.325 8.195 ( 1.525 0.000 -2.687) 3.090 8.245 ( -11.589 0.000 -6.465) 13.270 8.372 ( 5.401 0.000 -3.476) 6.423 8.657 ( -10.976 0.000 11.640) 15.999 8.667 ( 3.094 0.000 -3.597) 4.745 8.791 ( -13.833 0.000 8.360) 16.163 8.900 ( -4.600 0.000 1.500) 4.839 8.946 ( -2.946 0.000 1.010) 3.114 9.021 ( -5.557 0.000 -2.964) 6.299 9.489 ( 12.316 0.000 -3.929) 12.928 9.504 ( 14.331 0.000 -1.874) 14.453 9.577 ( 11.580 0.000 -13.462) 17.757 9.691 ( 6.694 0.000 -13.490) 15.059 10.035 ( -5.590 0.000 32.230) 32.711 10.161 ( -12.543 0.000 32.188) 34.546 10.209 ( -1.224 0.000 26.996) 27.024 10.226 ( -10.265 0.000 28.092) 29.909 10.517 ( 1.225 0.000 29.871) 29.897 10.534 ( 8.271 0.000 36.933) 37.848 10.582 ( 2.018 0.000 29.072) 29.142 10.655 ( 0.773 0.000 42.471) 42.478 11.600 ( -0.507 0.000 -5.951) 5.972 11.877 ( -3.407 0.000 -11.677) 12.164 11.939 ( 0.386 0.000 -0.727) 0.823 12.242 ( -3.899 0.000 -7.539) 8.487 12.535 ( -2.006 0.000 5.938) 6.267 12.670 ( -3.251 0.000 3.004) 4.427 12.729 ( -2.969 0.000 1.525) 3.337 12.763 ( -0.853 0.000 3.134) 3.248 12.807 ( -5.550 0.000 3.389) 6.503 12.978 ( -2.774 0.000 5.030) 5.745 12.982 ( -0.987 0.000 -3.464) 3.601 13.068 ( -2.817 0.000 -4.004) 4.896 14.023 ( 1.146 0.000 -17.599) 17.636 14.148 ( -2.704 0.000 -15.173) 15.412 14.282 ( -0.930 0.000 -19.356) 19.378 14.399 ( -7.316 0.000 -14.976) 16.667 15.485 ( 1.213 0.000 -5.403) 5.537 15.501 ( 1.199 0.000 -4.398) 4.558 15.595 ( 0.085 0.000 -4.806) 4.806 15.608 ( -0.163 0.000 -4.894) 4.896 15.899 ( 5.445 0.000 -9.051) 10.563 15.987 ( 3.003 0.000 -10.910) 11.316 16.044 ( 4.654 0.000 -9.822) 10.869 16.215 ( 0.647 0.000 -11.544) 11.562 16.748 ( 0.295 0.000 40.636) 40.637 16.755 ( 0.099 0.000 42.479) 42.479 16.811 ( -0.725 0.000 39.548) 39.555 16.813 ( -0.567 0.000 40.069) 40.073 18.649 ( 2.159 0.000 -4.647) 5.124 18.742 ( -2.411 0.000 0.244) 2.423 18.749 ( -0.297 0.000 -0.331) 0.445 18.784 ( -1.853 0.000 12.195) 12.335 18.877 ( 1.318 0.000 13.914) 13.976 18.972 ( 1.810 0.000 21.848) 21.923 18.986 ( -2.116 0.000 30.447) 30.520 19.126 ( -4.008 0.000 28.048) 28.333 19.889 ( 0.585 0.000 3.025) 3.081 19.984 ( -1.106 0.000 1.590) 1.937 19.990 ( 1.799 0.000 -0.779) 1.960 20.133 ( 0.527 0.000 1.745) 1.823 20.213 ( -1.152 0.000 4.222) 4.377 20.221 ( -2.682 0.000 -3.964) 4.786 20.315 ( 1.817 0.000 -3.656) 4.083 20.355 ( -0.047 0.000 -2.483) 2.484 22.108 ( 0.285 0.000 -0.097) 0.301 22.132 ( -1.558 0.000 -5.047) 5.282 22.155 ( -0.125 0.000 0.018) 0.127 22.173 ( -1.684 0.000 2.909) 3.362 22.408 ( 0.963 0.000 -6.584) 6.654 22.429 ( 0.852 0.000 -6.625) 6.680 22.489 ( 0.885 0.000 -43.329) 43.338 22.497 ( -0.501 0.000 -39.204) 39.207 22.526 ( -0.393 0.000 -8.955) 8.964 22.596 ( -1.151 0.000 -20.250) 20.283 22.625 ( -0.378 0.000 -15.585) 15.589 22.648 ( -0.784 0.000 -28.353) 28.364 24.847 ( 4.441 0.000 -0.183) 4.445 24.910 ( 0.678 0.000 2.243) 2.344 25.036 ( 1.012 0.000 1.599) 1.892 25.108 ( -3.166 0.000 4.783) 5.736 26.153 ( 1.530 0.000 31.174) 31.211 26.370 ( 0.445 0.000 35.567) 35.570 26.380 ( -1.327 0.000 8.502) 8.605 26.828 ( -6.393 0.000 -16.921) 18.088 27.101 ( -6.652 0.000 3.398) 7.470 27.112 ( -0.866 0.000 -3.913) 4.008 27.171 ( 1.389 0.000 -17.027) 17.084 27.224 ( -3.000 0.000 -22.785) 22.981 27.269 ( 2.849 0.000 3.843) 4.784 27.325 ( 3.438 0.000 3.787) 5.115 27.440 ( 4.928 0.000 4.566) 6.718 27.575 ( 6.828 0.000 -3.250) 7.562 29.072 ( 0.593 0.000 20.626) 20.635 29.089 ( 0.267 0.000 15.163) 15.166 29.430 ( -7.977 0.000 27.945) 29.061 29.706 ( -15.848 0.000 22.785) 27.754 30.445 ( 2.390 0.000 -4.347) 4.961 30.466 ( 2.067 0.000 -0.390) 2.103 30.631 ( -1.435 0.000 0.656) 1.578 30.645 ( -2.034 0.000 0.767) 2.174 31.727 ( 0.446 0.000 -11.750) 11.758 32.001 ( 12.667 0.000 -19.546) 23.292 32.005 ( 3.695 0.000 -16.860) 17.260 32.023 ( -1.360 0.000 -14.558) 14.621 32.298 ( 16.115 0.000 -25.657) 30.299 32.392 ( -0.065 0.000 -22.187) 22.187 32.584 ( -0.896 0.000 -27.001) 27.015 32.995 ( -3.091 0.000 -37.683) 37.809 39.661 ( 2.109 0.000 -0.796) 2.255 39.754 ( 0.804 0.000 0.489) 0.941 39.775 ( 7.193 0.000 -4.948) 8.731 39.893 ( 3.215 0.000 -4.148) 5.248 40.010 ( -1.263 0.000 3.447) 3.671 40.192 ( -4.595 0.000 3.982) 6.080 40.746 ( -3.482 0.000 8.366) 9.062 40.818 ( -12.013 0.000 -8.727) 14.849 41.190 ( 3.702 0.000 10.140) 10.795 41.294 ( 0.639 0.000 9.270) 9.292 41.301 ( -1.132 0.000 5.920) 6.027 41.524 ( -1.539 0.000 1.852) 2.408 41.745 ( -1.084 0.000 17.047) 17.081 41.835 ( -0.439 0.000 10.816) 10.825 41.934 ( 11.124 0.000 -5.308) 12.326 42.442 ( -2.269 0.000 -0.607) 2.349 ======================= Grid point 107 (39/72) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 2.772 0.000 11.326) 11.660 2.775 ( 7.503 0.000 16.860) 18.454 2.898 ( 11.614 0.000 15.924) 19.709 3.086 ( 2.930 0.000 -0.752) 3.025 3.139 ( 10.626 0.000 -2.289) 10.869 3.248 ( -13.431 0.000 -4.584) 14.192 3.450 ( -8.808 0.000 -5.719) 10.501 3.552 ( -6.986 0.000 -5.244) 8.735 3.695 ( -9.081 0.000 1.971) 9.293 3.710 ( 7.091 0.000 18.905) 20.191 4.104 ( -3.198 0.000 21.720) 21.954 4.129 ( 1.388 0.000 18.665) 18.716 4.151 ( -15.690 0.000 29.878) 33.747 4.213 ( -13.262 0.000 26.392) 29.537 4.416 ( -8.830 0.000 19.227) 21.157 4.577 ( -15.646 0.000 19.403) 24.925 5.115 ( 0.295 0.000 21.010) 21.012 5.289 ( -10.102 0.000 4.088) 10.897 5.324 ( -11.817 0.000 9.953) 15.450 5.359 ( -6.118 0.000 5.185) 8.020 5.528 ( 11.946 0.000 1.059) 11.993 5.652 ( 6.394 0.000 8.781) 10.862 5.745 ( 5.453 0.000 4.526) 7.086 5.775 ( 0.811 0.000 3.937) 4.019 6.058 ( 2.446 0.000 9.091) 9.415 6.115 ( 10.699 0.000 19.281) 22.050 6.128 ( 1.912 0.000 14.063) 14.193 6.396 ( -6.427 0.000 2.909) 7.055 6.504 ( 6.071 0.000 -16.540) 17.619 6.588 ( 6.520 0.000 -6.853) 9.459 6.662 ( 0.997 0.000 -14.513) 14.547 6.720 ( 1.861 0.000 -9.123) 9.311 6.823 ( 21.676 0.000 20.496) 29.832 6.826 ( 10.739 0.000 -23.032) 25.413 6.927 ( 10.273 0.000 1.116) 10.333 7.074 ( 5.360 0.000 -13.602) 14.620 7.190 ( 5.694 0.000 -8.337) 10.096 7.395 ( 12.517 0.000 24.708) 27.698 7.458 ( 2.087 0.000 3.190) 3.812 7.512 ( 26.620 0.000 -2.487) 26.736 7.641 ( -5.112 0.000 -2.384) 5.640 7.682 ( 0.349 0.000 0.145) 0.378 7.863 ( -9.710 0.000 -7.123) 12.043 7.982 ( -13.526 0.000 -2.295) 13.720 8.235 ( -26.840 0.000 25.187) 36.807 8.265 ( 5.976 0.000 11.562) 13.015 8.449 ( 0.195 0.000 6.392) 6.395 8.504 ( -16.433 0.000 15.170) 22.365 8.778 ( 5.604 0.000 -0.900) 5.676 8.895 ( 5.664 0.000 8.666) 10.353 8.945 ( 3.329 0.000 6.149) 6.993 8.958 ( -2.609 0.000 -2.496) 3.611 9.656 ( 4.275 0.000 -6.105) 7.453 9.709 ( 2.181 0.000 -13.059) 13.240 9.767 ( 6.285 0.000 -1.999) 6.595 9.787 ( -0.998 0.000 2.605) 2.789 9.886 ( -9.148 0.000 27.381) 28.869 10.021 ( -7.124 0.000 9.369) 11.770 10.051 ( 7.288 0.000 27.512) 28.461 10.275 ( 5.807 0.000 19.470) 20.318 10.528 ( 0.549 0.000 27.569) 27.574 10.579 ( -6.033 0.000 38.538) 39.008 10.590 ( -1.084 0.000 22.736) 22.762 10.623 ( -1.104 0.000 32.576) 32.594 11.606 ( 1.621 0.000 -7.986) 8.149 11.783 ( -5.598 0.000 -11.332) 12.639 11.937 ( -0.112 0.000 -5.185) 5.186 12.117 ( -8.026 0.000 -9.102) 12.135 12.531 ( 2.180 0.000 6.176) 6.549 12.652 ( 2.097 0.000 4.580) 5.037 12.667 ( -3.038 0.000 5.251) 6.066 12.713 ( -2.243 0.000 5.114) 5.584 12.740 ( -1.970 0.000 3.023) 3.608 12.883 ( -6.258 0.000 4.521) 7.721 12.960 ( -0.985 0.000 -0.474) 1.093 13.002 ( -3.285 0.000 -1.050) 3.449 14.059 ( 2.679 0.000 -18.522) 18.715 14.099 ( -1.413 0.000 -15.178) 15.243 14.231 ( -4.108 0.000 -20.091) 20.506 14.235 ( -7.942 0.000 -15.034) 17.002 15.524 ( 2.467 0.000 -5.032) 5.604 15.536 ( 2.131 0.000 -3.215) 3.857 15.595 ( -0.250 0.000 -3.165) 3.175 15.601 ( -0.789 0.000 -4.467) 4.536 16.023 ( 6.199 0.000 -8.873) 10.824 16.065 ( 4.536 0.000 -10.763) 11.679 16.123 ( 2.299 0.000 -9.283) 9.564 16.210 ( -1.439 0.000 -10.872) 10.966 16.759 ( 0.733 0.000 39.973) 39.980 16.759 ( 0.390 0.000 41.512) 41.514 16.792 ( -1.084 0.000 40.027) 40.042 16.797 ( -0.941 0.000 39.675) 39.687 18.691 ( 1.210 0.000 -3.604) 3.802 18.700 ( -1.190 0.000 3.052) 3.275 18.739 ( -0.470 0.000 4.761) 4.784 18.754 ( -1.145 0.000 3.912) 4.077 18.917 ( 2.613 0.000 18.764) 18.945 18.945 ( -0.849 0.000 28.109) 28.122 18.994 ( 0.017 0.000 18.410) 18.410 19.045 ( -3.896 0.000 23.519) 23.839 19.905 ( 1.047 0.000 2.655) 2.854 19.957 ( -1.426 0.000 1.726) 2.239 20.037 ( 2.812 0.000 -1.400) 3.141 20.145 ( 0.673 0.000 2.530) 2.618 20.163 ( -3.120 0.000 -3.104) 4.401 20.185 ( -1.395 0.000 3.962) 4.200 20.344 ( 1.041 0.000 -3.709) 3.853 20.356 ( 0.148 0.000 -3.304) 3.308 22.100 ( -1.247 0.000 -5.905) 6.036 22.114 ( 0.396 0.000 0.128) 0.416 22.130 ( -2.327 0.000 -2.442) 3.373 22.146 ( -0.854 0.000 -0.081) 0.858 22.428 ( 1.059 0.000 -8.509) 8.575 22.450 ( 1.288 0.000 -10.381) 10.461 22.480 ( -1.256 0.000 -19.004) 19.045 22.504 ( -0.081 0.000 -34.870) 34.870 22.535 ( 1.568 0.000 -23.120) 23.173 22.576 ( -0.041 0.000 -15.735) 15.735 22.618 ( -0.587 0.000 -24.768) 24.775 22.622 ( -1.772 0.000 -26.576) 26.636 24.932 ( 1.531 0.000 2.466) 2.903 24.948 ( 4.964 0.000 0.393) 4.980 25.036 ( -3.620 0.000 3.882) 5.308 25.051 ( 0.056 0.000 1.281) 1.282 26.196 ( 2.721 0.000 29.768) 29.892 26.332 ( -3.303 0.000 18.576) 18.867 26.393 ( 2.158 0.000 31.805) 31.878 26.638 ( -10.234 0.000 11.349) 15.282 27.060 ( 1.074 0.000 -15.711) 15.747 27.125 ( 1.985 0.000 -7.770) 8.020 27.163 ( -3.086 0.000 -22.917) 23.124 27.191 ( 0.109 0.000 -16.031) 16.031 27.334 ( 3.333 0.000 1.093) 3.507 27.381 ( 1.686 0.000 1.212) 2.076 27.547 ( 5.290 0.000 2.779) 5.975 27.657 ( 1.292 0.000 -2.091) 2.458 29.094 ( 1.739 0.000 22.624) 22.691 29.111 ( 2.413 0.000 19.099) 19.251 29.266 ( -7.456 0.000 26.625) 27.649 29.401 ( -13.100 0.000 25.434) 28.610 30.492 ( 2.337 0.000 -3.012) 3.812 30.507 ( 1.919 0.000 0.147) 1.924 30.592 ( -2.409 0.000 0.215) 2.419 30.595 ( -2.622 0.000 0.509) 2.671 31.782 ( 4.402 0.000 -11.831) 12.623 31.969 ( -3.667 0.000 -14.074) 14.544 32.122 ( 7.208 0.000 -19.350) 20.649 32.263 ( 11.997 0.000 -24.182) 26.994 32.363 ( -2.933 0.000 -22.838) 23.026 32.550 ( -2.846 0.000 -26.903) 27.053 32.606 ( 12.813 0.000 -32.331) 34.777 32.914 ( -4.731 0.000 -35.603) 35.916 39.716 ( 3.157 0.000 1.682) 3.577 39.771 ( 0.698 0.000 2.230) 2.336 39.942 ( 7.829 0.000 -1.494) 7.970 39.973 ( 4.503 0.000 -0.030) 4.503 39.985 ( -0.854 0.000 0.468) 0.974 40.084 ( -5.555 0.000 0.833) 5.617 40.561 ( -7.946 0.000 -9.673) 12.518 40.682 ( -7.306 0.000 -7.205) 10.261 41.266 ( 3.264 0.000 10.647) 11.136 41.282 ( 2.503 0.000 9.501) 9.826 41.312 ( 0.860 0.000 9.124) 9.165 41.505 ( -3.141 0.000 3.250) 4.520 41.732 ( 0.289 0.000 16.423) 16.425 41.811 ( -2.000 0.000 12.432) 12.592 42.133 ( 8.627 0.000 -2.704) 9.041 42.379 ( -4.016 0.000 -0.754) 4.086 ======================= Grid point 108 (40/72) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -11.764 0.000 -1.070) 11.812 2.903 ( 11.764 0.000 -1.070) 11.812 2.959 ( -9.946 0.000 1.754) 10.100 2.959 ( 9.946 0.000 1.754) 10.100 3.271 ( -7.963 0.000 -6.346) 10.182 3.271 ( 7.963 0.000 -6.346) 10.182 3.352 ( -11.391 0.000 -7.794) 13.803 3.352 ( 11.391 0.000 -7.794) 13.803 3.745 ( -18.269 0.000 27.994) 33.428 3.745 ( 18.269 0.000 27.994) 33.428 3.940 ( -12.460 0.000 21.536) 24.881 3.940 ( 12.460 0.000 21.536) 24.881 4.234 ( -7.658 0.000 17.913) 19.482 4.234 ( 7.658 0.000 17.913) 19.482 4.268 ( -12.847 0.000 25.956) 28.961 4.268 ( 12.847 0.000 25.956) 28.961 5.184 ( -1.262 0.000 9.865) 9.945 5.184 ( 1.262 0.000 9.865) 9.945 5.219 ( -7.328 0.000 11.131) 13.327 5.219 ( 7.328 0.000 11.131) 13.327 5.743 ( -6.962 0.000 6.781) 9.719 5.743 ( 6.962 0.000 6.781) 9.719 5.761 ( -3.294 0.000 4.356) 5.462 5.761 ( 3.294 0.000 4.356) 5.462 6.112 ( -2.618 0.000 17.166) 17.364 6.112 ( 2.618 0.000 17.166) 17.364 6.236 ( -6.307 0.000 -4.320) 7.645 6.236 ( 6.307 0.000 -4.320) 7.645 6.612 ( -4.425 0.000 -16.690) 17.267 6.612 ( 4.425 0.000 -16.690) 17.267 6.693 ( -3.441 0.000 -6.215) 7.104 6.693 ( 3.441 0.000 -6.215) 7.104 7.036 ( -8.751 0.000 -20.505) 22.295 7.036 ( 8.751 0.000 -20.505) 22.295 7.111 ( -4.228 0.000 -0.662) 4.280 7.111 ( 4.228 0.000 -0.662) 4.280 7.472 ( -2.662 0.000 -6.060) 6.619 7.472 ( 2.662 0.000 -6.060) 6.619 7.516 ( -28.559 0.000 22.079) 36.098 7.516 ( 28.559 0.000 22.079) 36.098 7.664 ( -4.086 0.000 12.515) 13.165 7.664 ( 4.086 0.000 12.515) 13.166 7.842 ( -5.343 0.000 2.928) 6.093 7.842 ( 5.343 0.000 2.928) 6.093 8.075 ( -26.290 0.000 9.725) 28.031 8.075 ( 26.290 0.000 9.725) 28.031 8.390 ( -5.154 0.000 15.378) 16.219 8.390 ( 5.154 0.000 15.378) 16.219 8.886 ( -4.701 0.000 -1.057) 4.818 8.886 ( 4.701 0.000 -1.057) 4.818 9.014 ( -1.169 0.000 16.424) 16.465 9.014 ( 1.169 0.000 16.424) 16.465 9.673 ( -1.177 0.000 18.326) 18.364 9.673 ( 1.177 0.000 18.326) 18.364 9.708 ( -1.521 0.000 -7.720) 7.869 9.708 ( 1.521 0.000 -7.720) 7.869 9.964 ( -3.405 0.000 -6.082) 6.970 9.964 ( 3.405 0.000 -6.082) 6.970 10.248 ( -9.706 0.000 20.936) 23.077 10.248 ( 9.706 0.000 20.936) 23.077 10.549 ( -4.790 0.000 32.540) 32.891 10.549 ( 4.790 0.000 32.540) 32.891 10.554 ( -1.965 0.000 23.826) 23.907 10.554 ( 1.965 0.000 23.826) 23.907 11.673 ( -4.874 0.000 -9.889) 11.025 11.673 ( 4.874 0.000 -9.889) 11.025 11.976 ( -4.804 0.000 -8.510) 9.772 11.976 ( 4.804 0.000 -8.510) 9.772 12.600 ( -3.801 0.000 6.186) 7.261 12.600 ( 3.801 0.000 6.186) 7.261 12.705 ( -0.952 0.000 4.556) 4.654 12.705 ( 0.952 0.000 4.556) 4.654 12.749 ( -6.438 0.000 4.647) 7.940 12.749 ( 6.438 0.000 4.647) 7.940 12.956 ( -0.988 0.000 0.957) 1.376 12.956 ( 0.988 0.000 0.957) 1.376 14.116 ( -3.467 0.000 -15.126) 15.518 14.116 ( 3.467 0.000 -15.126) 15.518 14.135 ( -4.812 0.000 -19.562) 20.145 14.135 ( 4.812 0.000 -19.562) 20.145 15.572 ( -2.061 0.000 -4.594) 5.035 15.572 ( 2.061 0.000 -4.594) 5.035 15.576 ( -1.665 0.000 -2.583) 3.073 15.576 ( 1.665 0.000 -2.583) 3.073 16.118 ( -2.792 0.000 -8.773) 9.207 16.118 ( 2.792 0.000 -8.773) 9.207 16.154 ( -3.982 0.000 -10.587) 11.311 16.154 ( 3.982 0.000 -10.587) 11.311 16.772 ( -0.844 0.000 40.637) 40.646 16.772 ( 0.844 0.000 40.637) 40.646 16.777 ( -1.031 0.000 39.491) 39.505 16.777 ( 1.031 0.000 39.491) 39.505 18.694 ( -0.471 0.000 1.633) 1.700 18.694 ( 0.471 0.000 1.633) 1.700 18.738 ( -0.395 0.000 4.287) 4.305 18.738 ( 0.395 0.000 4.287) 4.305 18.970 ( -2.250 0.000 18.173) 18.311 18.970 ( 2.250 0.000 18.173) 18.311 18.973 ( -3.093 0.000 22.907) 23.115 18.973 ( 3.093 0.000 22.907) 23.115 19.929 ( -1.337 0.000 2.151) 2.533 19.929 ( 1.337 0.000 2.151) 2.533 20.098 ( -3.231 0.000 -2.179) 3.897 20.098 ( 3.231 0.000 -2.179) 3.897 20.161 ( -1.004 0.000 3.353) 3.500 20.161 ( 1.004 0.000 3.353) 3.500 20.356 ( -0.208 0.000 -3.698) 3.704 20.356 ( 0.208 0.000 -3.698) 3.704 22.095 ( -0.837 0.000 -5.669) 5.731 22.095 ( 0.837 0.000 -5.669) 5.731 22.127 ( -0.862 0.000 -0.024) 0.862 22.127 ( 0.862 0.000 -0.024) 0.862 22.452 ( -1.374 0.000 -11.671) 11.752 22.452 ( 1.374 0.000 -11.671) 11.752 22.480 ( -1.655 0.000 -17.743) 17.820 22.480 ( 1.655 0.000 -17.743) 17.820 22.579 ( -2.443 0.000 -25.507) 25.624 22.579 ( 2.443 0.000 -25.507) 25.624 22.597 ( -1.450 0.000 -25.010) 25.052 22.597 ( 1.450 0.000 -25.010) 25.052 24.973 ( -2.597 0.000 3.024) 3.986 24.973 ( 2.597 0.000 3.024) 3.986 25.027 ( -2.608 0.000 0.905) 2.760 25.027 ( 2.608 0.000 0.905) 2.760 26.260 ( -3.625 0.000 26.032) 26.283 26.260 ( 3.625 0.000 26.032) 26.283 26.472 ( -6.055 0.000 24.556) 25.292 26.472 ( 6.055 0.000 24.556) 25.292 27.103 ( -2.780 0.000 -21.318) 21.498 27.103 ( 2.780 0.000 -21.318) 21.498 27.170 ( -2.027 0.000 -12.496) 12.659 27.170 ( 2.027 0.000 -12.496) 12.659 27.384 ( -1.359 0.000 -0.028) 1.360 27.384 ( 1.359 0.000 -0.028) 1.360 27.635 ( -3.144 0.000 0.331) 3.162 27.635 ( 3.144 0.000 0.331) 3.162 29.150 ( -4.118 0.000 24.884) 25.222 29.150 ( 4.118 0.000 24.884) 25.222 29.201 ( -6.959 0.000 23.358) 24.373 29.201 ( 6.959 0.000 23.358) 24.373 30.541 ( -2.571 0.000 -1.222) 2.847 30.541 ( 2.571 0.000 -1.222) 2.847 30.547 ( -2.181 0.000 0.255) 2.196 30.547 ( 2.181 0.000 0.255) 2.196 31.880 ( -5.017 0.000 -13.022) 13.955 31.880 ( 5.017 0.000 -13.022) 13.955 32.266 ( -6.557 0.000 -21.952) 22.910 32.266 ( 6.557 0.000 -21.952) 22.910 32.455 ( -7.010 0.000 -26.405) 27.320 32.455 ( 7.010 0.000 -26.405) 27.320 32.801 ( -7.113 0.000 -34.293) 35.023 32.801 ( 7.113 0.000 -34.293) 35.023 39.767 ( -1.424 0.000 3.782) 4.041 39.767 ( 1.424 0.000 3.782) 4.041 39.997 ( -2.569 0.000 -1.610) 3.032 39.997 ( 2.569 0.000 -1.610) 3.032 40.030 ( -0.943 0.000 3.480) 3.605 40.030 ( 0.943 0.000 3.480) 3.605 40.533 ( -5.205 0.000 -14.388) 15.300 40.533 ( 5.205 0.000 -14.388) 15.300 41.311 ( -1.205 0.000 10.030) 10.102 41.311 ( 1.205 0.000 10.030) 10.102 41.393 ( -7.045 0.000 7.294) 10.141 41.393 ( 7.045 0.000 7.294) 10.141 41.762 ( -2.433 0.000 14.582) 14.783 41.762 ( 2.433 0.000 14.582) 14.783 42.279 ( -6.060 0.000 -1.285) 6.194 42.279 ( 6.060 0.000 -1.285) 6.194 ======================= Grid point 112 (41/72) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 0.000 15.172 39.963) 42.747 2.831 ( 0.000 2.983 22.124) 22.324 2.890 ( 0.000 4.289 19.481) 19.948 2.948 ( 0.000 -1.312 8.405) 8.507 3.190 ( 0.000 -9.803 19.676) 21.983 3.270 ( 0.000 -18.776 18.547) 26.392 3.458 ( 0.000 1.714 3.286) 3.706 3.599 ( 0.000 2.520 5.498) 6.048 3.639 ( 0.000 -7.132 3.856) 8.107 3.772 ( 0.000 -6.538 0.508) 6.558 4.271 ( 0.000 10.788 22.195) 24.678 4.458 ( 0.000 7.463 19.400) 20.786 4.476 ( 0.000 5.933 15.660) 16.746 4.651 ( 0.000 1.897 17.381) 17.484 5.034 ( 0.000 4.832 10.434) 11.498 5.069 ( 0.000 -3.973 2.734) 4.822 5.249 ( 0.000 -1.547 19.266) 19.328 5.321 ( 0.000 -6.960 19.411) 20.621 5.364 ( 0.000 -3.046 2.464) 3.917 5.452 ( 0.000 -2.866 16.078) 16.332 5.517 ( 0.000 5.394 35.378) 35.786 5.630 ( 0.000 6.048 5.479) 8.161 5.752 ( 0.000 -1.238 4.504) 4.671 5.781 ( 0.000 -6.905 36.024) 36.680 5.781 ( 0.000 -0.579 7.871) 7.892 5.850 ( 0.000 -1.370 14.060) 14.126 6.063 ( 0.000 3.758 -2.162) 4.336 6.096 ( 0.000 1.609 -7.552) 7.721 6.145 ( 0.000 -0.831 -2.996) 3.109 6.223 ( 0.000 -3.757 -6.804) 7.773 6.399 ( 0.000 0.195 -21.882) 21.883 6.415 ( 0.000 -0.198 -12.583) 12.584 6.483 ( 0.000 8.185 -4.949) 9.565 6.813 ( 0.000 0.465 -3.014) 3.050 6.838 ( 0.000 2.874 -11.606) 11.957 6.905 ( 0.000 -2.046 -5.641) 6.000 6.964 ( 0.000 -2.605 -14.106) 14.344 6.987 ( 0.000 -9.964 1.607) 10.092 7.097 ( 0.000 4.136 12.115) 12.801 7.284 ( 0.000 -0.669 20.774) 20.784 7.747 ( 0.000 1.527 -11.803) 11.901 7.861 ( 0.000 -3.527 -11.601) 12.125 8.120 ( 0.000 0.354 0.393) 0.529 8.163 ( 0.000 -1.314 -6.610) 6.740 8.334 ( 0.000 1.980 -5.247) 5.608 8.384 ( 0.000 -0.175 -2.070) 2.077 8.686 ( 0.000 6.414 -8.332) 10.515 8.751 ( 0.000 2.325 -7.291) 7.653 8.956 ( 0.000 -0.369 -0.972) 1.039 8.988 ( 0.000 -3.568 0.184) 3.573 8.994 ( 0.000 -2.029 -0.025) 2.029 9.096 ( 0.000 -6.592 -3.180) 7.319 9.292 ( 0.000 1.845 3.164) 3.663 9.351 ( 0.000 -0.803 0.284) 0.852 9.411 ( 0.000 7.721 -5.755) 9.630 9.598 ( 0.000 -1.736 -14.914) 15.014 10.158 ( 0.000 1.459 24.287) 24.331 10.245 ( 0.000 -2.881 24.510) 24.679 10.338 ( 0.000 2.005 25.550) 25.629 10.370 ( 0.000 1.518 48.172) 48.196 10.379 ( 0.000 -0.301 28.070) 28.072 10.452 ( 0.000 -1.960 35.535) 35.589 10.557 ( 0.000 1.449 39.261) 39.287 10.612 ( 0.000 -0.924 45.194) 45.204 11.625 ( 0.000 2.039 -4.894) 5.302 11.791 ( 0.000 -6.713 -5.566) 8.721 12.055 ( 0.000 7.071 -4.506) 8.385 12.253 ( 0.000 -2.980 -5.895) 6.605 12.584 ( 0.000 2.261 3.994) 4.589 12.699 ( 0.000 -3.305 -0.426) 3.332 12.741 ( 0.000 1.751 0.474) 1.814 12.837 ( 0.000 4.405 4.119) 6.031 12.846 ( 0.000 -3.314 1.117) 3.497 12.975 ( 0.000 -2.392 6.324) 6.761 13.023 ( 0.000 2.455 -4.266) 4.922 13.090 ( 0.000 -0.952 -5.107) 5.195 14.023 ( 0.000 1.427 -16.975) 17.035 14.127 ( 0.000 -3.936 -16.229) 16.699 14.342 ( 0.000 4.343 -17.282) 17.819 14.464 ( 0.000 -1.819 -15.325) 15.432 15.477 ( 0.000 0.218 -5.430) 5.434 15.487 ( 0.000 -0.216 -5.104) 5.109 15.597 ( 0.000 0.247 -5.697) 5.702 15.608 ( 0.000 -0.249 -5.412) 5.418 15.847 ( 0.000 0.952 -9.123) 9.172 15.912 ( 0.000 -2.591 -9.993) 10.323 16.044 ( 0.000 4.156 -11.033) 11.790 16.181 ( 0.000 -2.462 -11.898) 12.150 16.742 ( 0.000 -0.201 41.387) 41.387 16.750 ( 0.000 -0.427 42.262) 42.264 16.820 ( 0.000 0.315 40.008) 40.009 16.824 ( 0.000 0.277 39.777) 39.778 18.637 ( 0.000 1.246 -3.906) 4.100 18.713 ( 0.000 -2.565 -2.965) 3.920 18.804 ( 0.000 2.007 -2.873) 3.505 18.828 ( 0.000 1.818 25.779) 25.843 18.856 ( 0.000 -0.781 -2.858) 2.963 18.918 ( 0.000 -2.432 27.995) 28.100 19.038 ( 0.000 2.633 32.400) 32.507 19.149 ( 0.000 -2.633 30.098) 30.213 19.891 ( 0.000 0.881 2.877) 3.009 19.949 ( 0.000 -1.935 0.649) 2.040 20.027 ( 0.000 3.184 1.181) 3.396 20.159 ( 0.000 2.993 0.273) 3.005 20.175 ( 0.000 -3.912 0.843) 4.002 20.263 ( 0.000 -1.844 -1.975) 2.703 20.298 ( 0.000 2.148 -2.245) 3.107 20.350 ( 0.000 -0.694 -1.917) 2.039 22.108 ( 0.000 0.430 -0.542) 0.692 22.136 ( 0.000 -0.927 -2.349) 2.526 22.167 ( 0.000 0.749 -0.556) 0.933 22.188 ( 0.000 -0.291 3.858) 3.869 22.398 ( 0.000 0.187 -6.339) 6.342 22.413 ( 0.000 -0.548 -6.027) 6.052 22.482 ( 0.000 0.323 -43.732) 43.733 22.499 ( 0.000 -0.411 -44.714) 44.715 22.549 ( 0.000 1.739 -5.321) 5.598 22.614 ( 0.000 0.784 -30.183) 30.194 22.619 ( 0.000 -1.380 -5.557) 5.726 22.648 ( 0.000 -0.715 -29.409) 29.418 24.809 ( 0.000 1.166 -0.231) 1.188 24.879 ( 0.000 -2.181 1.358) 2.569 25.051 ( 0.000 2.437 2.706) 3.642 25.131 ( 0.000 -1.335 4.883) 5.063 26.149 ( 0.000 1.363 31.216) 31.246 26.262 ( 0.000 -5.185 27.865) 28.344 26.534 ( 0.000 9.222 7.176) 11.685 26.829 ( 0.000 -5.244 -23.473) 24.052 27.139 ( 0.000 1.384 -17.276) 17.331 27.177 ( 0.000 0.805 8.105) 8.145 27.204 ( 0.000 -1.640 -10.926) 11.048 27.231 ( 0.000 -2.002 7.674) 7.930 27.284 ( 0.000 2.997 -12.388) 12.746 27.314 ( 0.000 2.084 7.496) 7.780 27.371 ( 0.000 -0.858 7.171) 7.222 27.416 ( 0.000 -3.041 -7.565) 8.153 29.064 ( 0.000 -0.170 19.187) 19.188 29.078 ( 0.000 -0.848 14.907) 14.931 29.565 ( 0.000 4.442 28.134) 28.483 29.827 ( 0.000 -7.567 22.017) 23.281 30.413 ( 0.000 0.334 -4.333) 4.346 30.434 ( 0.000 -0.596 -1.800) 1.896 30.650 ( 0.000 0.437 0.574) 0.722 30.665 ( 0.000 -0.204 0.876) 0.899 31.798 ( 0.000 2.275 -13.312) 13.505 31.824 ( 0.000 2.200 -16.080) 16.230 31.947 ( 0.000 -5.544 -15.014) 16.005 31.949 ( 0.000 -3.743 -16.563) 16.981 32.178 ( 0.000 6.302 -18.436) 19.484 32.363 ( 0.000 -3.096 -21.084) 21.310 32.686 ( 0.000 8.830 -30.194) 31.459 32.983 ( 0.000 -4.876 -37.901) 38.214 39.653 ( 0.000 1.520 -1.521) 2.151 39.713 ( 0.000 1.626 -5.215) 5.463 39.728 ( 0.000 -1.733 -0.430) 1.786 39.817 ( 0.000 -3.512 -4.786) 5.937 40.074 ( 0.000 4.389 3.995) 5.935 40.219 ( 0.000 -2.529 5.041) 5.640 40.773 ( 0.000 1.377 13.808) 13.877 40.913 ( 0.000 -6.846 -0.777) 6.890 41.241 ( 0.000 0.690 11.455) 11.476 41.279 ( 0.000 -0.985 10.001) 10.049 41.310 ( 0.000 11.844 -7.667) 14.109 41.662 ( 0.000 1.945 16.958) 17.069 41.676 ( 0.000 -6.231 -19.639) 20.603 41.743 ( 0.000 -1.617 17.025) 17.102 41.915 ( 0.000 8.342 9.616) 12.730 42.356 ( 0.000 -11.076 2.477) 11.349 ======================= Grid point 113 (42/72) ======================= q-point: ( 0.17 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 10.615 12.331 38.459) 41.759 2.791 ( -3.746 2.506 23.904) 24.325 2.907 ( -4.175 -0.397 8.777) 9.728 2.971 ( 2.905 -1.464 9.483) 10.026 2.996 ( -0.452 -1.193 10.179) 10.259 3.338 ( 2.416 -17.717 12.829) 22.007 3.540 ( -5.385 -2.103 2.376) 6.250 3.573 ( -2.267 -5.132 3.500) 6.613 3.646 ( -2.350 -0.159 2.319) 3.305 3.712 ( 2.841 -2.788 1.658) 4.312 4.242 ( -2.807 9.564 22.149) 24.289 4.251 ( -14.682 4.412 18.342) 23.905 4.473 ( -4.451 3.651 20.082) 20.891 4.494 ( -13.803 -2.734 18.966) 23.616 4.816 ( -20.611 8.410 23.016) 32.020 4.927 ( -8.728 9.136 9.145) 15.598 5.161 ( -5.329 -6.588 14.644) 16.919 5.321 ( -1.552 -8.202 2.711) 8.777 5.345 ( -0.743 0.877 5.373) 5.495 5.463 ( 4.385 -6.446 4.858) 9.185 5.584 ( -4.734 3.304 8.780) 10.508 5.623 ( -10.231 2.209 10.283) 14.673 5.653 ( 1.246 3.936 12.093) 12.778 5.771 ( -0.029 -1.343 7.881) 7.995 5.814 ( 14.252 1.793 31.151) 34.303 6.033 ( 1.312 0.930 3.293) 3.665 6.062 ( 5.081 -1.044 6.091) 8.001 6.103 ( 17.954 -7.627 29.383) 35.269 6.377 ( 6.829 -0.149 -13.711) 15.318 6.426 ( 6.562 -1.260 -10.968) 12.843 6.516 ( 15.987 1.660 -8.188) 18.039 6.554 ( 15.323 -1.069 -13.458) 20.422 6.618 ( 8.475 5.881 -10.363) 14.622 6.766 ( -3.788 2.569 -9.886) 10.894 6.815 ( -2.261 -2.074 -8.199) 8.754 6.988 ( 5.818 1.623 -11.541) 13.026 7.010 ( 5.051 -8.696 -8.941) 13.456 7.109 ( 11.775 -4.018 -8.512) 15.074 7.160 ( 9.378 5.762 28.898) 30.923 7.327 ( 5.429 -1.071 24.970) 25.576 7.718 ( -2.591 0.869 -11.216) 11.544 7.782 ( -6.830 -1.886 -11.209) 13.261 8.061 ( -6.316 1.857 -1.915) 6.857 8.153 ( -3.135 -2.857 -3.857) 5.732 8.293 ( -5.667 3.345 -4.981) 8.253 8.367 ( 3.425 -0.600 -3.683) 5.065 8.674 ( -11.699 1.745 10.294) 15.680 8.728 ( 3.317 6.177 -4.228) 8.188 8.766 ( -13.537 -2.265 8.907) 16.362 8.902 ( -4.370 0.093 1.987) 4.801 8.935 ( -2.676 -1.030 1.349) 3.169 8.985 ( -4.066 -4.034 -3.626) 6.779 9.451 ( 10.471 -1.727 -4.158) 11.398 9.482 ( 9.340 -2.573 -3.241) 10.216 9.634 ( 13.795 4.536 -12.611) 19.233 9.707 ( 9.010 0.881 -13.310) 16.097 10.048 ( -6.018 1.370 32.384) 32.967 10.132 ( -8.984 -2.540 31.992) 33.327 10.220 ( -6.132 0.804 27.419) 28.107 10.231 ( -8.677 0.351 28.295) 29.597 10.524 ( 2.158 0.572 29.314) 29.399 10.534 ( 6.989 0.004 34.811) 35.505 10.588 ( 2.019 0.760 32.773) 32.844 10.642 ( 0.888 -1.355 41.469) 41.501 11.619 ( -0.441 2.141 -5.980) 6.367 11.779 ( -1.300 -6.260 -7.189) 9.621 12.037 ( -1.832 6.444 -5.025) 8.374 12.217 ( -3.742 -2.754 -6.977) 8.382 12.554 ( -2.178 2.018 4.621) 5.493 12.652 ( -3.291 -2.318 2.379) 4.676 12.715 ( -2.323 0.561 1.641) 2.899 12.783 ( -4.802 -1.706 3.486) 6.174 12.819 ( -1.906 3.517 3.352) 5.219 12.941 ( -2.700 -2.554 3.715) 5.255 13.013 ( -1.599 1.797 -2.063) 3.169 13.062 ( -2.640 -0.707 -3.797) 4.678 14.032 ( 0.817 1.050 -17.415) 17.466 14.112 ( -1.443 -2.960 -16.151) 16.483 14.318 ( -2.477 2.961 -18.139) 18.545 14.392 ( -6.518 -0.819 -15.507) 16.841 15.487 ( 1.202 0.236 -5.259) 5.400 15.499 ( 1.191 -0.244 -4.550) 4.709 15.597 ( 0.056 0.215 -4.812) 4.817 15.606 ( -0.117 -0.209 -4.873) 4.879 15.906 ( 5.346 0.847 -9.165) 10.644 15.960 ( 4.172 -1.943 -10.090) 11.090 16.083 ( 3.301 3.275 -10.737) 11.701 16.196 ( 1.015 -2.036 -11.568) 11.789 16.744 ( 0.211 -0.255 41.167) 41.168 16.751 ( 0.097 -0.426 41.827) 41.830 16.813 ( -0.608 0.348 39.986) 39.992 16.818 ( -0.604 0.290 39.797) 39.803 18.655 ( 1.646 0.697 -3.887) 4.278 18.706 ( -0.698 -1.989 -1.036) 2.349 18.782 ( -1.539 1.591 -0.471) 2.263 18.791 ( -2.132 0.687 10.431) 10.669 18.881 ( 1.559 0.542 16.608) 16.689 18.940 ( 1.011 -2.133 23.521) 23.639 19.018 ( -1.482 2.222 28.311) 28.437 19.106 ( -3.506 -2.055 28.293) 28.583 19.898 ( 0.664 0.978 2.742) 2.986 19.962 ( 1.187 -2.180 0.550) 2.542 20.013 ( -1.165 2.785 1.146) 3.229 20.151 ( -1.855 -3.427 0.411) 3.918 20.168 ( 0.514 2.490 0.625) 2.618 20.249 ( -1.135 0.181 -0.090) 1.153 20.315 ( 1.285 0.362 -3.394) 3.647 20.348 ( -0.044 -0.661 -2.390) 2.480 22.111 ( 0.166 0.304 -0.333) 0.480 22.129 ( -0.964 -0.426 -3.703) 3.850 22.157 ( -0.701 0.259 -0.005) 0.748 22.171 ( -1.628 -0.253 1.646) 2.329 22.409 ( 0.963 0.190 -6.545) 6.619 22.423 ( 0.892 -0.488 -6.558) 6.636 22.490 ( 0.752 0.161 -43.136) 43.143 22.497 ( -0.164 -0.089 -41.446) 41.446 22.540 ( -0.733 1.406 -7.166) 7.340 22.592 ( -1.569 -0.659 -13.306) 13.415 22.624 ( 0.022 0.055 -22.257) 22.257 22.643 ( -0.611 -0.511 -28.266) 28.278 24.854 ( 4.086 0.751 0.014) 4.155 24.897 ( 1.626 -1.215 1.577) 2.571 25.051 ( -0.006 1.388 2.369) 2.746 25.100 ( -2.759 -0.855 4.469) 5.321 26.164 ( 1.452 1.272 30.983) 31.043 26.269 ( 0.639 -4.785 27.809) 28.225 26.514 ( -2.129 8.278 12.586) 15.214 26.782 ( -5.786 -4.859 -11.253) 13.555 27.093 ( -3.967 -0.208 -2.406) 4.644 27.111 ( -2.508 -0.443 -2.386) 3.490 27.187 ( 0.067 1.270 -16.329) 16.379 27.216 ( -1.692 -0.553 -19.462) 19.543 27.287 ( 1.544 1.402 3.602) 4.162 27.323 ( 2.865 -0.308 4.519) 5.360 27.453 ( 5.846 1.533 2.723) 6.628 27.551 ( 7.065 -2.466 -2.652) 7.939 29.068 ( 0.501 -0.280 20.093) 20.101 29.079 ( 0.246 -0.819 16.425) 16.447 29.463 ( -8.634 3.469 27.455) 28.989 29.653 ( -14.055 -5.164 24.244) 28.496 30.446 ( 2.362 0.152 -3.776) 4.457 30.461 ( 2.130 -0.493 -1.020) 2.413 30.635 ( -1.490 0.364 0.714) 1.692 30.645 ( -1.899 -0.031 0.802) 2.062 31.754 ( 0.816 2.992 -12.169) 12.558 31.940 ( 3.253 -5.861 -15.458) 16.849 32.010 ( 11.448 0.767 -19.318) 22.468 32.027 ( 1.221 0.189 -15.907) 15.955 32.299 ( 11.760 0.711 -23.850) 26.602 32.373 ( 1.048 -2.028 -22.041) 22.159 32.681 ( -0.359 8.725 -30.463) 31.690 32.955 ( -2.597 -4.323 -37.023) 37.365 39.673 ( 1.917 1.303 -0.673) 2.413 39.737 ( 1.079 -1.551 0.102) 1.892 39.787 ( 6.761 1.210 -4.667) 8.304 39.862 ( 4.196 -2.571 -3.884) 6.269 40.050 ( -2.186 3.491 3.201) 5.217 40.171 ( -4.404 -2.283 3.901) 6.311 40.751 ( -3.753 0.649 6.896) 7.878 40.800 ( -9.136 -1.679 -4.446) 10.298 41.200 ( 1.324 1.000 10.099) 10.235 41.255 ( -1.415 -1.929 9.219) 9.525 41.377 ( -0.477 5.384 3.155) 6.258 41.517 ( -2.534 -1.095 1.152) 2.991 41.755 ( 1.297 1.399 14.738) 14.861 41.859 ( 3.447 -0.793 3.988) 5.331 41.950 ( 6.605 5.238 3.856) 9.270 42.343 ( -1.218 -10.042 2.026) 10.316 ======================= Grid point 114 (43/72) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 2.593 1.000 10.892) 11.241 2.783 ( 3.477 0.570 11.704) 12.223 2.917 ( 10.240 2.610 20.542) 23.101 3.072 ( 2.053 -1.729 1.694) 3.174 3.123 ( 9.106 -0.559 -2.150) 9.373 3.252 ( -7.341 -1.989 -2.633) 8.048 3.420 ( -7.627 -2.853 -2.161) 8.425 3.498 ( -0.112 -6.340 0.738) 6.384 3.625 ( -1.770 -2.061 11.668) 11.981 3.672 ( -8.201 -2.616 3.327) 9.229 4.050 ( -3.070 -0.699 21.307) 21.539 4.144 ( -10.501 -4.721 24.161) 26.764 4.178 ( -4.437 6.517 21.215) 22.633 4.282 ( -14.639 3.411 23.539) 27.928 4.540 ( -9.712 10.436 22.518) 26.652 4.687 ( -15.619 8.775 18.701) 25.898 5.078 ( 3.059 -2.235 15.006) 15.477 5.222 ( -6.141 -5.935 2.518) 8.904 5.360 ( -8.923 4.657 9.627) 13.928 5.401 ( -7.724 2.734 9.884) 12.838 5.542 ( 11.214 -0.588 1.556) 11.337 5.596 ( 4.055 -4.082 5.648) 8.062 5.722 ( 4.018 -1.142 4.467) 6.116 5.762 ( 0.576 -2.141 6.181) 6.566 6.059 ( 1.831 0.320 11.209) 11.362 6.105 ( 1.219 -1.647 13.759) 13.911 6.163 ( 9.747 3.954 17.335) 20.277 6.352 ( 0.296 -5.050 4.811) 6.981 6.505 ( 3.994 0.659 -14.436) 14.993 6.565 ( 7.369 -2.142 -10.137) 12.714 6.666 ( -1.301 0.999 -10.721) 10.845 6.713 ( 1.878 -0.751 -11.333) 11.512 6.828 ( 15.719 0.889 -4.001) 16.244 6.879 ( 13.177 4.543 -0.132) 13.939 6.898 ( 13.948 -2.350 -1.029) 14.182 7.078 ( 4.645 -1.996 -9.906) 11.121 7.177 ( 8.333 0.889 -6.059) 10.341 7.344 ( 11.913 -4.930 13.201) 18.452 7.464 ( 4.738 0.861 5.096) 7.011 7.507 ( 18.499 -0.719 4.986) 19.172 7.655 ( -2.160 1.136 -2.892) 3.784 7.679 ( 0.496 -0.256 0.631) 0.843 7.897 ( -8.621 3.082 -7.096) 11.583 7.976 ( -11.872 -0.791 -4.047) 12.568 8.239 ( -22.905 0.750 23.762) 33.012 8.273 ( -1.266 0.329 13.741) 13.803 8.453 ( -0.938 0.335 7.541) 7.607 8.486 ( -13.768 -1.635 14.109) 19.781 8.820 ( 4.837 4.093 -1.485) 6.508 8.900 ( 4.747 0.514 7.688) 9.050 8.938 ( 3.441 -0.803 6.334) 7.253 8.953 ( -0.410 -0.854 -2.327) 2.513 9.595 ( 3.422 -4.212 -4.310) 6.930 9.617 ( 3.429 -5.405 -6.201) 8.912 9.827 ( -2.947 2.397 5.146) 6.396 9.830 ( -3.505 2.273 5.709) 7.074 9.917 ( -0.664 3.297 12.897) 13.328 9.993 ( -0.220 -1.256 10.411) 10.489 10.106 ( 2.995 4.102 21.862) 22.444 10.249 ( 5.181 -2.756 20.030) 20.872 10.533 ( -0.076 0.476 28.155) 28.159 10.564 ( -3.304 -1.088 31.615) 31.806 10.599 ( -2.864 0.619 29.892) 30.036 10.619 ( -1.527 -0.425 32.587) 32.626 11.622 ( 1.160 1.721 -8.218) 8.476 11.736 ( -2.857 -3.933 -9.890) 11.021 11.983 ( -2.928 3.869 -6.717) 8.286 12.100 ( -7.438 -1.883 -8.791) 11.668 12.545 ( 1.830 1.409 5.951) 6.384 12.622 ( 0.411 -2.373 5.288) 5.811 12.676 ( -0.623 0.686 4.165) 4.267 12.707 ( -1.981 -0.722 4.642) 5.099 12.769 ( -2.975 2.555 3.852) 5.497 12.863 ( -5.331 -2.014 4.374) 7.184 12.972 ( -1.823 1.036 -0.475) 2.149 12.999 ( -3.111 -0.330 -0.988) 3.280 14.060 ( 2.310 0.215 -18.181) 18.329 14.086 ( -0.409 -1.077 -16.029) 16.070 14.241 ( -5.237 0.730 -18.849) 19.577 14.241 ( -7.381 0.591 -15.990) 17.622 15.525 ( 2.359 0.127 -4.870) 5.413 15.533 ( 2.121 -0.225 -3.605) 4.189 15.597 ( -0.288 0.133 -3.315) 3.330 15.601 ( -0.608 -0.017 -4.096) 4.141 16.028 ( 6.079 0.541 -9.015) 10.886 16.056 ( 5.028 -0.785 -10.131) 11.337 16.140 ( 1.509 1.602 -9.957) 10.197 16.200 ( -1.007 -1.114 -10.855) 10.959 16.751 ( 0.416 -0.444 40.803) 40.807 16.755 ( 0.287 -0.510 40.728) 40.732 16.798 ( -0.789 0.536 40.006) 40.018 16.803 ( -0.820 0.366 39.672) 39.683 18.686 ( 0.962 -0.387 -1.855) 2.126 18.690 ( -0.555 -0.643 2.362) 2.510 18.755 ( -0.980 1.148 3.732) 4.026 18.761 ( -1.157 0.604 3.049) 3.317 18.919 ( 2.381 0.227 20.232) 20.373 18.939 ( -0.045 -0.606 26.555) 26.562 18.999 ( -0.764 0.593 19.754) 19.778 19.035 ( -3.371 -0.972 22.993) 23.259 19.916 ( 1.146 1.175 2.391) 2.900 19.970 ( -1.107 0.711 1.432) 1.945 20.010 ( 1.634 -1.393 0.202) 2.157 20.105 ( -2.535 -3.835 0.062) 4.597 20.181 ( 0.756 2.908 1.296) 3.272 20.223 ( -1.342 1.649 1.168) 2.426 20.338 ( 0.911 -0.496 -3.841) 3.978 20.349 ( 0.105 -0.658 -3.266) 3.333 22.103 ( -1.158 0.240 -5.579) 5.703 22.112 ( -0.114 -0.194 -1.495) 1.512 22.131 ( -1.820 0.169 -1.390) 2.296 22.142 ( -0.894 -0.321 -0.035) 0.950 22.430 ( 1.077 0.199 -8.675) 8.744 22.444 ( 1.195 -0.498 -9.848) 9.933 22.486 ( -1.114 0.509 -22.124) 22.158 22.502 ( -0.296 -0.223 -32.972) 32.974 22.542 ( 1.352 0.699 -21.029) 21.084 22.571 ( 0.153 -0.561 -15.787) 15.798 22.618 ( -0.671 0.040 -25.751) 25.760 22.621 ( -1.543 -0.076 -26.573) 26.618 24.934 ( 1.881 0.211 2.236) 2.929 24.945 ( 4.228 -0.303 0.815) 4.316 25.039 ( -2.849 0.305 3.370) 4.423 25.049 ( -0.331 -0.162 1.576) 1.618 26.204 ( 2.524 0.987 29.597) 29.720 26.282 ( 0.281 -3.278 25.994) 26.201 26.460 ( -2.369 4.958 22.881) 23.532 26.614 ( -9.108 -2.649 12.750) 15.891 27.067 ( 1.081 0.783 -15.887) 15.943 27.112 ( 1.125 -1.216 -12.853) 12.959 27.174 ( -1.438 1.066 -18.716) 18.802 27.197 ( 0.051 0.346 -17.664) 17.667 27.335 ( 2.641 0.282 3.533) 4.420 27.372 ( 1.549 -1.011 2.561) 3.159 27.564 ( 4.846 1.771 1.619) 5.408 27.642 ( 1.956 -1.578 -1.637) 2.999 29.088 ( 1.614 -0.473 22.437) 22.500 29.098 ( 1.878 -1.090 20.227) 20.343 29.288 ( -7.659 2.162 26.161) 27.344 29.380 ( -11.780 -2.124 25.643) 28.299 30.492 ( 2.266 0.091 -2.531) 3.398 30.503 ( 1.953 -0.378 -0.349) 2.019 30.595 ( -2.385 0.279 0.212) 2.411 30.598 ( -2.555 0.169 0.427) 2.596 31.816 ( 4.699 3.760 -12.495) 13.869 32.001 ( -3.051 3.420 -15.018) 15.702 32.045 ( 6.455 -7.015 -17.505) 19.932 32.191 ( 4.081 -5.757 -20.964) 22.120 32.417 ( 4.485 3.840 -25.309) 25.989 32.521 ( 6.536 -1.975 -27.538) 28.372 32.691 ( 2.718 6.806 -32.865) 33.673 32.888 ( -3.965 -2.928 -35.401) 35.743 39.724 ( 2.858 0.765 1.710) 3.417 39.762 ( 1.157 -0.918 2.067) 2.541 39.946 ( 7.454 0.399 -1.339) 7.584 39.965 ( 5.678 -0.526 -0.717) 5.747 40.002 ( -2.029 1.547 1.011) 2.744 40.069 ( -5.019 -1.533 0.948) 5.333 40.579 ( -7.979 1.896 -9.200) 12.325 40.664 ( -7.464 -1.889 -7.434) 10.703 41.263 ( 3.209 -0.296 10.803) 11.274 41.268 ( 3.936 -0.712 10.770) 11.489 41.348 ( -1.141 3.114 8.102) 8.755 41.474 ( -3.443 -2.956 5.452) 7.093 41.779 ( 0.898 4.440 12.351) 13.155 41.849 ( -2.097 3.181 10.398) 11.075 42.117 ( 7.697 -0.764 -0.345) 7.742 42.308 ( -2.374 -7.115 1.095) 7.580 ======================= Grid point 115 (44/72) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -9.600 -0.006 0.205) 9.602 2.902 ( 9.600 -0.006 0.205) 9.602 2.940 ( -8.808 -1.793 2.637) 9.367 2.940 ( 8.808 -1.793 2.637) 9.367 3.280 ( -5.355 0.963 -6.443) 8.433 3.280 ( 5.355 0.963 -6.443) 8.433 3.346 ( -9.644 -0.676 -7.643) 12.324 3.346 ( 9.644 -0.676 -7.643) 12.324 3.625 ( -5.712 -7.235 26.909) 28.444 3.625 ( 5.712 -7.235 26.909) 28.444 4.045 ( -4.135 3.365 23.184) 23.789 4.045 ( 4.135 3.365 23.184) 23.789 4.121 ( -3.171 -1.372 19.355) 19.661 4.121 ( 3.171 -1.372 19.355) 19.661 4.445 ( -4.263 9.327 22.853) 25.049 4.445 ( 4.263 9.327 22.853) 25.049 5.150 ( -2.495 -2.231 6.980) 7.741 5.150 ( 2.495 -2.231 6.980) 7.741 5.282 ( -3.280 6.616 12.395) 14.428 5.282 ( 3.280 6.616 12.395) 14.428 5.669 ( -2.437 -8.974 4.574) 10.363 5.669 ( 2.437 -8.974 4.574) 10.363 5.774 ( -3.894 2.036 9.263) 10.253 5.774 ( 3.894 2.036 9.263) 10.253 6.084 ( -1.894 -2.271 12.349) 12.698 6.084 ( 1.894 -2.271 12.349) 12.698 6.267 ( -4.186 2.220 -1.158) 4.878 6.267 ( 4.186 2.220 -1.158) 4.878 6.596 ( -3.947 -0.765 -15.579) 16.090 6.596 ( 3.947 -0.765 -15.579) 16.090 6.690 ( -3.522 -0.611 -8.436) 9.162 6.690 ( 3.522 -0.611 -8.436) 9.162 7.051 ( -7.122 1.306 -15.877) 17.450 7.051 ( 7.122 1.306 -15.877) 17.450 7.101 ( -4.445 -0.915 -4.255) 6.221 7.101 ( 4.445 -0.915 -4.255) 6.221 7.410 ( -7.475 -3.194 1.402) 8.249 7.410 ( 7.475 -3.194 1.402) 8.249 7.591 ( -13.910 3.792 13.035) 19.437 7.591 ( 13.910 3.792 13.035) 19.437 7.690 ( -4.396 3.181 16.671) 17.532 7.690 ( 4.396 3.181 16.671) 17.532 7.844 ( -4.971 0.311 1.698) 5.263 7.844 ( 4.971 0.311 1.698) 5.263 8.005 ( -22.529 -6.351 9.855) 25.397 8.005 ( 22.529 -6.351 9.855) 25.397 8.415 ( -2.746 1.886 13.937) 14.330 8.415 ( 2.746 1.886 13.937) 14.330 8.904 ( -3.182 1.560 -0.851) 3.645 8.904 ( 3.182 1.560 -0.851) 3.645 9.015 ( -0.667 0.208 15.913) 15.928 9.015 ( 0.668 0.208 15.913) 15.928 9.625 ( -0.806 -4.397 0.311) 4.481 9.625 ( 0.806 -4.397 0.311) 4.481 9.701 ( -1.152 0.102 13.775) 13.823 9.701 ( 1.152 0.102 13.775) 13.823 10.009 ( -1.790 3.339 -9.400) 10.134 10.009 ( 1.790 3.339 -9.400) 10.134 10.252 ( -6.994 0.329 19.555) 20.771 10.252 ( 6.994 0.329 19.555) 20.771 10.541 ( -2.644 -0.623 33.322) 33.433 10.541 ( 2.644 -0.623 33.322) 33.433 10.554 ( -0.806 -0.169 24.906) 24.920 10.554 ( 0.806 -0.169 24.906) 24.920 11.671 ( -3.404 -0.181 -10.087) 10.648 11.671 ( 3.404 -0.181 -10.087) 10.648 11.977 ( -3.356 0.079 -8.427) 9.071 11.977 ( 3.356 0.079 -8.427) 9.071 12.601 ( -2.662 0.097 6.042) 6.603 12.601 ( 2.662 0.097 6.042) 6.603 12.710 ( -1.827 0.510 4.814) 5.174 12.710 ( 1.827 0.510 4.814) 5.174 12.742 ( -5.684 -0.641 4.527) 7.295 12.742 ( 5.684 -0.641 4.527) 7.295 12.958 ( -0.685 0.134 0.900) 1.139 12.958 ( 0.685 0.134 0.900) 1.139 14.116 ( -2.331 -0.012 -17.297) 17.453 14.116 ( 2.331 -0.012 -17.297) 17.453 14.138 ( -3.273 0.265 -17.511) 17.816 14.138 ( 3.273 0.265 -17.511) 17.816 15.565 ( -0.482 -0.368 -4.461) 4.502 15.565 ( 0.482 -0.368 -4.461) 4.502 15.584 ( -0.278 0.393 -2.719) 2.761 15.584 ( 0.278 0.393 -2.719) 2.761 16.123 ( -2.648 0.442 -8.824) 9.223 16.123 ( 2.648 0.442 -8.824) 9.223 16.151 ( -3.488 -0.325 -10.602) 11.166 16.151 ( 3.488 -0.325 -10.602) 11.166 16.758 ( -0.129 -0.696 40.408) 40.414 16.758 ( 0.129 -0.696 40.408) 40.414 16.790 ( -0.209 0.669 39.724) 39.731 16.790 ( 0.209 0.669 39.724) 39.731 18.690 ( -0.301 -0.306 1.389) 1.454 18.690 ( 0.301 -0.306 1.389) 1.454 18.745 ( -0.157 0.597 4.620) 4.661 18.745 ( 0.157 0.597 4.620) 4.661 18.967 ( -2.085 -0.122 19.766) 19.876 18.967 ( 2.085 -0.122 19.766) 19.876 18.972 ( -2.438 -0.107 21.168) 21.309 18.972 ( 2.438 -0.107 21.168) 21.309 19.942 ( -1.438 1.337 1.943) 2.762 19.942 ( 1.438 1.337 1.943) 2.762 20.054 ( -2.481 -3.232 -0.040) 4.075 20.054 ( 2.481 -3.232 -0.040) 4.075 20.199 ( -1.058 2.513 1.574) 3.148 20.199 ( 1.058 2.513 1.574) 3.148 20.349 ( -0.211 -0.680 -3.787) 3.854 20.349 ( 0.211 -0.680 -3.787) 3.854 22.096 ( -0.621 0.091 -6.008) 6.040 22.096 ( 0.621 0.091 -6.008) 6.040 22.125 ( -0.639 -0.115 0.207) 0.682 22.125 ( 0.639 -0.115 0.207) 0.682 22.454 ( -1.155 0.132 -12.077) 12.133 22.454 ( 1.155 0.132 -12.077) 12.133 22.478 ( -1.364 -0.238 -17.022) 17.079 22.478 ( 1.364 -0.238 -17.022) 17.079 22.582 ( -2.248 0.340 -24.865) 24.969 22.582 ( 2.248 0.340 -24.865) 24.969 22.595 ( -1.551 -0.207 -25.862) 25.909 22.595 ( 1.551 -0.207 -25.862) 25.909 24.971 ( -1.745 -0.104 3.030) 3.498 24.971 ( 1.745 -0.104 3.030) 3.498 25.028 ( -1.753 0.130 0.879) 1.965 25.028 ( 1.753 0.130 0.879) 1.965 26.259 ( -2.530 -0.094 26.340) 26.462 26.259 ( 2.530 -0.094 26.340) 26.462 26.472 ( -4.239 0.066 24.045) 24.416 26.472 ( 4.239 0.066 24.045) 24.416 27.102 ( -1.844 -0.064 -20.808) 20.889 27.102 ( 1.844 -0.064 -20.808) 20.889 27.182 ( -1.436 0.993 -14.777) 14.880 27.182 ( 1.436 0.993 -14.777) 14.880 27.376 ( -1.114 -0.762 2.076) 2.476 27.376 ( 1.114 -0.762 2.076) 2.476 27.637 ( -2.242 0.136 0.147) 2.251 27.637 ( 2.242 0.136 0.147) 2.251 29.130 ( -1.363 -1.449 24.762) 24.842 29.130 ( 1.363 -1.449 24.762) 24.842 29.214 ( -3.347 0.875 23.728) 23.978 29.214 ( 3.347 0.875 23.728) 23.978 30.532 ( -0.597 -0.437 -0.566) 0.932 30.532 ( 0.597 -0.437 -0.566) 0.932 30.556 ( -0.325 0.537 -0.486) 0.794 30.556 ( 0.325 0.537 -0.486) 0.794 31.918 ( -5.001 4.091 -13.864) 15.296 31.918 ( 5.001 4.091 -13.864) 15.296 32.167 ( -4.852 -8.080 -19.700) 21.838 32.167 ( 4.852 -8.080 -19.700) 21.838 32.522 ( -4.228 4.539 -27.359) 28.054 32.522 ( 4.228 4.539 -27.359) 28.054 32.795 ( -5.542 -0.574 -34.648) 35.093 32.795 ( 5.542 -0.574 -34.648) 35.093 39.768 ( -1.012 0.038 3.756) 3.890 39.768 ( 1.012 0.038 3.756) 3.890 39.992 ( -1.504 -0.384 -0.515) 1.635 39.992 ( 1.504 -0.384 -0.515) 1.635 40.037 ( -0.740 0.555 2.425) 2.595 40.037 ( 0.740 0.555 2.425) 2.595 40.530 ( -3.692 -0.211 -14.395) 14.862 40.530 ( 3.692 -0.211 -14.395) 14.862 41.319 ( -1.948 0.899 10.183) 10.406 41.319 ( 1.948 0.899 10.183) 10.406 41.376 ( -5.875 -1.601 8.408) 10.382 41.376 ( 5.875 -1.601 8.408) 10.382 41.804 ( -1.933 3.878 12.024) 12.781 41.804 ( 1.933 3.878 12.024) 12.781 42.240 ( -4.642 -3.661 0.284) 5.919 42.240 ( 4.642 -3.661 0.284) 5.919 ======================= Grid point 119 (45/72) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 0.000 -23.237 29.882) 37.853 2.863 ( 0.000 23.237 29.882) 37.853 2.903 ( 0.000 -3.534 11.050) 11.602 2.903 ( 0.000 3.534 11.050) 11.602 3.006 ( 0.000 -8.808 24.516) 26.050 3.006 ( 0.000 8.808 24.516) 26.050 3.522 ( 0.000 -5.195 3.927) 6.512 3.522 ( 0.000 5.195 3.927) 6.512 3.670 ( 0.000 -4.930 2.692) 5.617 3.670 ( 0.000 4.930 2.692) 5.617 4.456 ( 0.000 -7.485 20.791) 22.097 4.456 ( 0.000 7.485 20.791) 22.097 4.603 ( 0.000 -7.018 18.171) 19.480 4.603 ( 0.000 7.018 18.171) 19.480 5.118 ( 0.000 -8.371 5.920) 10.253 5.118 ( 0.000 8.371 5.920) 10.253 5.171 ( 0.000 -9.017 6.791) 11.288 5.171 ( 0.000 9.017 6.791) 11.288 5.389 ( 0.000 -3.595 13.184) 13.666 5.389 ( 0.000 3.595 13.184) 13.666 5.640 ( 0.000 -7.868 41.208) 41.952 5.640 ( 0.000 7.868 41.208) 41.952 5.722 ( 0.000 -2.822 4.753) 5.527 5.722 ( 0.000 2.822 4.753) 5.527 5.801 ( 0.000 -2.969 10.664) 11.070 5.801 ( 0.000 2.969 10.664) 11.070 6.120 ( 0.000 -2.173 -1.123) 2.446 6.120 ( 0.000 2.173 -1.123) 2.446 6.145 ( 0.000 -3.874 -5.307) 6.571 6.145 ( 0.000 3.874 -5.307) 6.571 6.407 ( 0.000 -0.606 -17.408) 17.419 6.407 ( 0.000 0.606 -17.408) 17.419 6.703 ( 0.000 -14.736 -4.812) 15.502 6.703 ( 0.000 14.736 -4.812) 15.502 6.864 ( 0.000 -3.281 -9.520) 10.070 6.864 ( 0.000 3.281 -9.520) 10.070 6.903 ( 0.000 -3.843 -12.741) 13.308 6.903 ( 0.000 3.843 -12.741) 13.308 7.219 ( 0.000 -6.082 23.747) 24.513 7.219 ( 0.000 6.082 23.747) 24.513 7.793 ( 0.000 -3.445 -11.906) 12.394 7.793 ( 0.000 3.445 -11.906) 12.394 8.136 ( 0.000 -1.371 -3.536) 3.792 8.136 ( 0.000 1.371 -3.536) 3.792 8.369 ( 0.000 -1.537 -3.518) 3.840 8.369 ( 0.000 1.537 -3.518) 3.840 8.778 ( 0.000 -1.218 -9.543) 9.620 8.778 ( 0.000 1.218 -9.543) 9.620 8.961 ( 0.000 -1.174 -0.280) 1.207 8.961 ( 0.000 1.174 -0.280) 1.207 8.977 ( 0.000 -4.257 0.684) 4.311 8.977 ( 0.000 4.257 0.684) 4.311 9.327 ( 0.000 -1.799 1.663) 2.449 9.327 ( 0.000 1.799 1.663) 2.449 9.536 ( 0.000 -5.343 -11.710) 12.872 9.536 ( 0.000 5.343 -11.710) 12.872 10.195 ( 0.000 -2.523 24.412) 24.542 10.195 ( 0.000 2.523 24.412) 24.542 10.367 ( 0.000 -1.159 26.760) 26.785 10.367 ( 0.000 1.159 26.760) 26.785 10.408 ( 0.000 -2.554 43.201) 43.277 10.408 ( 0.000 2.554 43.201) 43.277 10.588 ( 0.000 -1.720 40.940) 40.976 10.588 ( 0.000 1.720 40.940) 40.976 11.686 ( 0.000 -4.679 -5.043) 6.880 11.686 ( 0.000 4.679 -5.043) 6.880 12.172 ( 0.000 -5.713 -4.798) 7.460 12.172 ( 0.000 5.713 -4.798) 7.460 12.638 ( 0.000 -3.384 0.377) 3.405 12.638 ( 0.000 3.384 0.377) 3.405 12.786 ( 0.000 -3.084 0.659) 3.154 12.786 ( 0.000 3.084 0.659) 3.154 12.915 ( 0.000 -4.016 5.730) 6.997 12.915 ( 0.000 4.016 5.730) 6.997 13.064 ( 0.000 -1.918 -4.574) 4.960 13.064 ( 0.000 1.918 -4.574) 4.960 14.063 ( 0.000 -2.943 -16.733) 16.990 14.063 ( 0.000 2.943 -16.733) 16.990 14.415 ( 0.000 -3.505 -16.161) 16.537 14.415 ( 0.000 3.505 -16.161) 16.537 15.482 ( 0.000 -0.309 -5.268) 5.277 15.482 ( 0.000 0.309 -5.268) 5.277 15.602 ( 0.000 -0.351 -5.555) 5.566 15.602 ( 0.000 0.351 -5.555) 5.566 15.872 ( 0.000 -1.834 -9.457) 9.633 15.872 ( 0.000 1.834 -9.457) 9.633 16.121 ( 0.000 -4.014 -11.689) 12.359 16.121 ( 0.000 4.014 -11.689) 12.359 16.743 ( 0.000 -0.253 41.791) 41.792 16.743 ( 0.000 0.253 41.791) 41.792 16.825 ( 0.000 -0.182 39.952) 39.952 16.825 ( 0.000 0.182 39.952) 39.952 18.669 ( 0.000 -2.192 -3.448) 4.085 18.669 ( 0.000 2.192 -3.448) 4.085 18.836 ( 0.000 -1.471 -2.873) 3.228 18.836 ( 0.000 1.471 -2.873) 3.228 18.870 ( 0.000 -2.693 26.728) 26.863 18.870 ( 0.000 2.693 26.728) 26.863 19.092 ( 0.000 -3.261 31.543) 31.711 19.092 ( 0.000 3.261 31.543) 31.711 19.914 ( 0.000 -1.685 2.032) 2.640 19.914 ( 0.000 1.685 2.032) 2.640 20.098 ( 0.000 -4.338 0.525) 4.369 20.098 ( 0.000 4.338 0.525) 4.369 20.217 ( 0.000 -3.112 -1.098) 3.300 20.217 ( 0.000 3.112 -1.098) 3.300 20.330 ( 0.000 -1.433 -1.754) 2.265 20.330 ( 0.000 1.433 -1.754) 2.265 22.120 ( 0.000 -0.830 -1.026) 1.319 22.120 ( 0.000 0.830 -1.026) 1.319 22.180 ( 0.000 -0.620 1.168) 1.322 22.180 ( 0.000 0.620 1.168) 1.322 22.404 ( 0.000 -0.430 -6.189) 6.204 22.404 ( 0.000 0.430 -6.189) 6.204 22.490 ( 0.000 -0.504 -44.217) 44.220 22.490 ( 0.000 0.504 -44.217) 44.220 22.586 ( 0.000 -2.114 -5.426) 5.824 22.586 ( 0.000 2.114 -5.426) 5.824 22.631 ( 0.000 -1.046 -29.730) 29.748 22.631 ( 0.000 1.046 -29.730) 29.748 24.839 ( 0.000 -2.043 0.361) 2.075 24.839 ( 0.000 2.043 0.361) 2.075 25.096 ( 0.000 -2.344 3.990) 4.628 25.096 ( 0.000 2.344 3.990) 4.628 26.188 ( 0.000 -3.047 30.226) 30.379 26.188 ( 0.000 3.047 30.226) 30.379 26.700 ( 0.000 -8.599 -8.560) 12.133 26.700 ( 0.000 8.599 -8.560) 12.133 27.171 ( 0.000 -1.931 -13.407) 13.546 27.171 ( 0.000 1.931 -13.407) 13.546 27.198 ( 0.000 -1.519 7.926) 8.070 27.198 ( 0.000 1.519 7.926) 8.070 27.349 ( 0.000 -1.614 7.296) 7.473 27.349 ( 0.000 1.614 7.296) 7.473 27.349 ( 0.000 -3.969 -10.285) 11.024 27.349 ( 0.000 3.969 -10.285) 11.024 29.065 ( 0.000 -0.424 17.367) 17.372 29.065 ( 0.000 0.424 17.367) 17.372 29.679 ( 0.000 -7.824 26.131) 27.277 29.679 ( 0.000 7.824 26.131) 27.277 30.422 ( 0.000 -0.644 -3.158) 3.223 30.422 ( 0.000 0.644 -3.158) 3.223 30.659 ( 0.000 -0.444 0.838) 0.948 30.659 ( 0.000 0.444 0.838) 0.948 31.858 ( 0.000 -4.204 -14.082) 14.697 31.858 ( 0.000 4.204 -14.082) 14.697 31.879 ( 0.000 -3.697 -16.363) 16.776 31.879 ( 0.000 3.697 -16.363) 16.776 32.285 ( 0.000 -5.322 -19.853) 20.554 32.285 ( 0.000 5.322 -19.853) 20.554 32.856 ( 0.000 -8.831 -35.035) 36.131 32.856 ( 0.000 8.831 -35.035) 36.131 39.689 ( 0.000 -2.292 -1.066) 2.528 39.689 ( 0.000 2.292 -1.066) 2.528 39.755 ( 0.000 -3.018 -4.857) 5.718 39.755 ( 0.000 3.018 -4.857) 5.718 40.156 ( 0.000 -4.275 4.361) 6.106 40.156 ( 0.000 4.275 4.361) 6.106 40.817 ( 0.000 -3.721 8.437) 9.221 40.817 ( 0.000 3.721 8.437) 9.221 41.258 ( 0.000 -1.138 10.828) 10.888 41.258 ( 0.000 1.138 10.828) 10.888 41.519 ( 0.000 -10.645 -15.545) 18.840 41.519 ( 0.000 10.645 -15.545) 18.840 41.705 ( 0.000 -2.473 16.898) 17.078 41.705 ( 0.000 2.473 16.898) 17.078 42.120 ( 0.000 -13.437 7.289) 15.287 42.120 ( 0.000 13.437 7.289) 15.287 ======================= Grid point 121 (46/72) ======================= q-point: ( 0.17 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -4.889 -5.209 18.348) 19.690 2.848 ( -4.889 5.209 18.348) 19.690 2.915 ( 1.564 -13.826 26.029) 29.514 2.915 ( 1.564 13.826 26.029) 29.514 3.004 ( 6.568 -7.758 11.103) 15.053 3.004 ( 6.568 7.758 11.103) 15.053 3.528 ( -5.023 -0.815 0.010) 5.089 3.528 ( -5.023 0.815 0.010) 5.089 3.666 ( 2.454 -2.162 3.071) 4.486 3.666 ( 2.454 2.162 3.071) 4.486 4.343 ( -13.920 -3.684 17.595) 22.736 4.343 ( -13.920 3.684 17.595) 22.736 4.456 ( -8.480 -5.136 23.004) 25.050 4.456 ( -8.480 5.136 23.004) 25.050 4.992 ( -11.055 -10.861 18.628) 24.232 4.992 ( -11.055 10.861 18.628) 24.232 5.155 ( -5.144 -12.039 5.610) 14.243 5.155 ( -5.144 12.039 5.610) 14.243 5.357 ( 3.520 -3.244 1.054) 4.901 5.357 ( 3.520 3.244 1.054) 4.901 5.644 ( -7.998 -1.455 7.054) 10.763 5.644 ( -7.998 1.455 7.054) 10.763 5.717 ( -0.704 -3.761 7.527) 8.444 5.717 ( -0.704 3.761 7.527) 8.444 5.916 ( 20.971 -9.152 38.954) 45.177 5.916 ( 20.971 9.152 38.954) 45.177 6.060 ( 0.594 -1.376 3.962) 4.236 6.060 ( 0.594 1.376 3.962) 4.236 6.395 ( 5.737 -1.897 -13.181) 14.500 6.395 ( 5.737 1.897 -13.181) 14.500 6.535 ( 15.739 -0.921 -11.472) 19.498 6.535 ( 15.739 0.921 -11.472) 19.498 6.752 ( -1.262 -6.270 -9.313) 11.298 6.752 ( -1.262 6.270 -9.313) 11.298 6.837 ( 4.756 -6.780 -8.096) 11.581 6.837 ( 4.756 6.780 -8.096) 11.581 7.040 ( 10.137 -3.613 -10.511) 15.043 7.040 ( 10.137 3.613 -10.511) 15.043 7.269 ( 6.722 -5.150 27.233) 28.519 7.269 ( 6.722 5.150 27.233) 28.519 7.744 ( -4.290 -1.930 -11.048) 12.008 7.744 ( -4.290 1.930 -11.048) 12.008 8.104 ( -4.686 -2.626 -3.306) 6.307 8.104 ( -4.686 2.626 -3.306) 6.307 8.344 ( -1.076 -2.059 -4.214) 4.812 8.344 ( -1.076 2.059 -4.214) 4.812 8.716 ( -11.515 -2.690 8.459) 14.539 8.716 ( -11.515 2.690 8.459) 14.539 8.863 ( -1.146 -6.891 -2.513) 7.424 8.863 ( -1.146 6.891 -2.513) 7.424 8.920 ( -2.919 -0.406 0.747) 3.040 8.920 ( -2.919 0.406 0.747) 3.040 9.445 ( 7.984 -1.040 -3.678) 8.852 9.445 ( 7.984 1.040 -3.678) 8.852 9.699 ( 12.186 -2.134 -13.229) 18.112 9.699 ( 12.186 2.134 -13.229) 18.112 10.084 ( -7.035 -2.502 32.340) 33.191 10.084 ( -7.035 2.502 32.340) 33.191 10.231 ( -7.974 -0.368 27.992) 29.108 10.231 ( -7.974 0.368 27.992) 29.108 10.532 ( 4.520 -0.297 30.716) 31.048 10.532 ( 4.520 0.297 30.716) 31.048 10.612 ( 1.393 -1.714 38.490) 38.553 10.612 ( 1.393 1.714 38.490) 38.553 11.679 ( -0.596 -4.538 -6.261) 7.756 11.679 ( -0.596 4.538 -6.261) 7.756 12.144 ( -2.973 -5.155 -5.959) 8.422 12.144 ( -2.973 5.155 -5.959) 8.422 12.601 ( -2.764 -2.929 2.567) 4.776 12.601 ( -2.764 2.929 2.567) 4.776 12.744 ( -3.400 -2.181 2.394) 4.696 12.744 ( -3.400 2.181 2.394) 4.696 12.885 ( -2.549 -3.531 4.291) 6.114 12.885 ( -2.549 3.531 4.291) 6.114 13.042 ( -2.156 -1.400 -3.192) 4.099 13.042 ( -2.156 1.400 -3.192) 4.099 14.062 ( -0.087 -2.277 -16.936) 17.089 14.062 ( -0.087 2.277 -16.936) 17.089 14.366 ( -4.632 -2.128 -16.722) 17.482 14.366 ( -4.632 2.128 -16.722) 17.482 15.493 ( 1.186 -0.340 -4.909) 5.061 15.493 ( 1.186 0.340 -4.909) 5.061 15.602 ( -0.022 -0.301 -4.835) 4.845 15.602 ( -0.022 0.301 -4.835) 4.845 15.928 ( 4.975 -1.535 -9.498) 10.832 15.928 ( 4.975 1.535 -9.498) 10.832 16.145 ( 1.985 -3.315 -11.397) 12.034 16.145 ( 1.985 3.315 -11.397) 12.034 16.744 ( 0.123 -0.216 41.480) 41.481 16.744 ( 0.123 0.216 41.480) 41.481 16.819 ( -0.579 -0.172 39.931) 39.935 16.819 ( -0.579 0.172 39.931) 39.935 18.675 ( 0.496 -1.444 -2.431) 2.870 18.675 ( 0.496 1.444 -2.431) 2.870 18.798 ( -2.019 -0.225 3.408) 3.968 18.798 ( -2.019 0.225 3.408) 3.968 18.903 ( 1.537 -1.850 21.359) 21.494 18.903 ( 1.537 1.850 21.359) 21.494 19.062 ( -2.462 -2.575 28.572) 28.794 19.062 ( -2.462 2.575 28.572) 28.794 19.924 ( 0.890 -1.872 1.896) 2.809 19.924 ( 0.890 1.872 1.896) 2.809 20.078 ( -1.800 -4.075 0.600) 4.495 20.078 ( -1.800 4.075 0.600) 4.495 20.222 ( 0.334 -2.701 -0.279) 2.736 20.222 ( 0.334 2.701 -0.279) 2.736 20.332 ( 0.163 -1.133 -2.467) 2.720 20.332 ( 0.163 1.133 -2.467) 2.720 22.119 ( -0.214 -0.566 -1.428) 1.551 22.119 ( -0.214 0.566 -1.428) 1.551 22.164 ( -1.373 -0.425 0.143) 1.444 22.164 ( -1.373 0.425 0.143) 1.444 22.415 ( 0.946 -0.399 -6.509) 6.589 22.415 ( 0.946 0.399 -6.509) 6.589 22.494 ( 0.373 -0.203 -42.698) 42.700 22.494 ( 0.373 0.203 -42.698) 42.700 22.569 ( -1.330 -1.655 -7.305) 7.608 22.569 ( -1.330 1.655 -7.305) 7.608 22.631 ( -0.184 -0.651 -27.727) 27.735 22.631 ( -0.184 0.651 -27.727) 27.735 24.873 ( 3.080 -1.274 0.617) 3.390 24.873 ( 3.080 1.274 0.617) 3.390 25.078 ( -1.614 -1.469 3.591) 4.202 25.078 ( -1.614 1.469 3.591) 4.202 26.201 ( 1.189 -2.834 30.100) 30.256 26.201 ( 1.189 2.834 30.100) 30.256 26.664 ( -4.134 -7.808 0.719) 8.864 26.664 ( -4.134 7.808 0.719) 8.864 27.099 ( -3.019 -0.676 -4.126) 5.157 27.099 ( -3.019 0.676 -4.126) 5.157 27.206 ( -0.861 -0.741 -17.132) 17.169 27.206 ( -0.861 0.741 -17.132) 17.169 27.310 ( 1.574 -1.087 5.495) 5.819 27.310 ( 1.574 1.087 5.495) 5.819 27.497 ( 7.065 -3.123 -0.777) 7.763 27.497 ( 7.065 3.123 -0.777) 7.763 29.068 ( 0.322 -0.311 18.590) 18.596 29.068 ( 0.322 0.311 18.590) 18.596 29.548 ( -10.806 -5.699 26.319) 29.016 29.548 ( -10.806 5.699 26.319) 29.016 30.452 ( 2.260 -0.482 -2.435) 3.357 30.452 ( 2.260 0.482 -2.435) 3.357 30.642 ( -1.656 -0.300 0.812) 1.868 30.642 ( -1.656 0.300 0.812) 1.868 31.832 ( 1.894 -5.466 -13.433) 14.626 31.832 ( 1.894 5.466 -13.433) 14.626 32.024 ( 7.216 -0.609 -18.173) 19.562 32.024 ( 7.216 0.609 -18.173) 19.562 32.329 ( 5.090 -2.410 -22.247) 22.949 32.329 ( 5.090 2.410 -22.247) 22.949 32.841 ( -1.343 -8.039 -34.735) 35.678 32.841 ( -1.343 8.039 -34.735) 35.678 39.704 ( 1.448 -1.959 -0.316) 2.456 39.704 ( 1.448 1.959 -0.316) 2.456 39.818 ( 5.781 -2.123 -4.304) 7.514 39.818 ( 5.781 2.123 -4.304) 7.514 40.116 ( -3.594 -3.553 3.594) 6.201 40.116 ( -3.594 3.553 3.594) 6.201 40.770 ( -5.380 -1.401 2.380) 6.048 40.770 ( -5.380 1.401 2.380) 6.048 41.223 ( -0.986 -1.515 9.789) 9.955 41.223 ( -0.986 1.515 9.789) 9.955 41.470 ( -2.957 -4.245 0.618) 5.210 41.470 ( -2.957 4.245 0.618) 5.210 41.802 ( 5.630 -3.646 7.182) 9.827 41.802 ( 5.630 3.646 7.182) 9.827 42.127 ( 1.066 -12.315 6.297) 13.872 42.127 ( 1.066 12.315 6.297) 13.872 ======================= Grid point 123 (47/72) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 1.594 -0.686 8.465) 8.641 2.783 ( 1.594 0.686 8.465) 8.641 3.006 ( 2.122 -5.969 16.105) 17.307 3.006 ( 2.122 5.969 16.105) 17.307 3.152 ( 7.729 -4.685 1.878) 9.231 3.152 ( 7.729 4.685 1.878) 9.231 3.419 ( -3.061 -2.651 -1.426) 4.293 3.419 ( -3.061 2.651 -1.426) 4.293 3.632 ( -7.453 -1.660 3.858) 8.554 3.632 ( -7.453 1.660 3.858) 8.554 4.074 ( -7.071 -2.824 21.756) 23.050 4.074 ( -7.071 2.824 21.756) 23.050 4.278 ( -9.831 -3.396 22.048) 24.378 4.278 ( -9.831 3.396 22.048) 24.378 4.715 ( -14.068 -6.581 24.403) 28.926 4.715 ( -14.068 6.581 24.403) 28.926 5.112 ( 0.316 -5.662 2.669) 6.267 5.112 ( 0.316 5.662 2.669) 6.267 5.434 ( 1.651 -4.057 9.397) 10.367 5.434 ( 1.651 4.057 9.397) 10.367 5.530 ( -3.602 -5.690 5.253) 8.541 5.530 ( -3.602 5.690 5.253) 8.541 5.723 ( 3.171 -1.401 5.980) 6.912 5.723 ( 3.171 1.401 5.980) 6.912 6.073 ( 0.386 -1.403 12.016) 12.104 6.073 ( 0.386 1.403 12.016) 12.104 6.249 ( 7.088 -5.420 11.871) 14.850 6.249 ( 7.088 5.420 11.871) 14.850 6.528 ( 6.282 -1.735 -12.528) 14.122 6.528 ( 6.282 1.735 -12.528) 14.122 6.693 ( -0.976 -1.503 -10.396) 10.549 6.693 ( -0.976 1.503 -10.396) 10.549 6.852 ( 15.349 -1.918 -2.475) 15.665 6.852 ( 15.349 1.918 -2.475) 15.665 6.987 ( 9.721 -6.382 -5.799) 12.995 6.987 ( 9.721 6.382 -5.799) 12.995 7.245 ( 9.496 -5.365 1.794) 11.054 7.245 ( 9.496 5.365 1.794) 11.054 7.486 ( 9.962 -1.415 7.061) 12.293 7.486 ( 9.962 1.415 7.061) 12.293 7.672 ( 0.174 -0.618 -0.752) 0.988 7.672 ( 0.174 0.618 -0.752) 0.989 7.949 ( -9.121 -2.275 -6.369) 11.355 7.949 ( -9.121 2.275 -6.369) 11.355 8.263 ( -14.294 -1.413 19.386) 24.128 8.263 ( -14.294 1.413 19.386) 24.128 8.461 ( -5.896 -0.829 10.509) 12.078 8.461 ( -5.896 0.829 10.509) 12.078 8.894 ( 2.365 -2.807 0.326) 3.685 8.894 ( 2.365 2.807 0.326) 3.685 8.928 ( 4.297 -0.869 4.119) 6.016 8.928 ( 4.297 0.869 4.119) 6.016 9.557 ( 2.773 -0.654 -3.660) 4.638 9.557 ( 2.773 0.654 -3.660) 4.638 9.847 ( -6.505 -0.038 12.188) 13.815 9.847 ( -6.505 0.038 12.188) 13.815 9.970 ( 3.209 -1.921 3.319) 5.000 9.970 ( 3.209 1.921 3.319) 5.000 10.183 ( 3.870 -4.191 21.158) 21.913 10.183 ( 3.870 4.191 21.158) 21.913 10.545 ( -1.523 -0.929 29.457) 29.511 10.545 ( -1.523 0.929 29.457) 29.511 10.610 ( -2.422 -0.563 32.102) 32.199 10.610 ( -2.422 0.563 32.102) 32.199 11.668 ( -0.286 -3.319 -8.828) 9.435 11.668 ( -0.286 3.319 -8.828) 9.435 12.051 ( -5.720 -3.388 -7.987) 10.391 12.051 ( -5.720 3.388 -7.987) 10.391 12.579 ( 1.054 -2.252 5.555) 6.086 12.579 ( 1.054 2.252 5.555) 6.086 12.691 ( -1.071 -0.959 4.183) 4.423 12.691 ( -1.071 0.959 4.183) 4.423 12.818 ( -4.205 -2.729 4.266) 6.582 12.818 ( -4.205 2.729 4.266) 6.582 12.989 ( -2.629 -0.788 -0.762) 2.849 12.989 ( -2.629 0.788 -0.762) 2.849 14.069 ( 1.206 -0.744 -17.277) 17.335 14.069 ( 1.206 0.744 -17.277) 17.335 14.248 ( -6.530 -0.032 -17.359) 18.547 14.248 ( -6.530 0.032 -17.359) 18.547 15.529 ( 2.183 -0.248 -4.348) 4.872 15.529 ( 2.183 0.248 -4.348) 4.872 15.599 ( -0.378 -0.140 -3.598) 3.621 15.599 ( -0.378 0.140 -3.598) 3.621 16.041 ( 5.687 -0.819 -9.432) 11.044 16.041 ( 5.687 0.819 -9.432) 11.044 16.173 ( 0.124 -1.800 -10.630) 10.782 16.173 ( 0.124 1.800 -10.630) 10.782 16.748 ( 0.253 -0.126 40.815) 40.816 16.748 ( 0.253 0.126 40.815) 40.816 16.805 ( -0.707 -0.151 39.801) 39.808 16.805 ( -0.707 0.151 39.801) 39.808 18.683 ( 0.298 -0.127 0.532) 0.623 18.683 ( 0.298 0.127 0.532) 0.623 18.767 ( -1.237 -0.074 2.614) 2.893 18.767 ( -1.237 0.074 2.614) 2.893 18.927 ( 1.425 -0.638 23.545) 23.597 18.927 ( 1.425 0.638 23.545) 23.597 19.015 ( -2.162 -1.110 21.669) 21.805 19.015 ( -2.162 1.110 21.669) 21.805 19.946 ( 1.282 -2.092 1.640) 2.952 19.946 ( 1.282 2.092 1.640) 2.952 20.038 ( -1.925 -3.294 0.815) 3.901 20.038 ( -1.925 3.294 0.815) 3.901 20.226 ( 0.020 -1.493 0.896) 1.741 20.226 ( 0.020 1.493 0.896) 1.741 20.337 ( 0.303 -0.486 -3.583) 3.629 20.337 ( 0.303 0.486 -3.583) 3.629 22.108 ( -0.812 -0.293 -4.134) 4.223 22.108 ( -0.812 0.293 -4.134) 4.223 22.136 ( -1.157 -0.333 -0.214) 1.223 22.136 ( -1.157 0.333 -0.214) 1.223 22.436 ( 1.127 -0.411 -9.142) 9.221 22.436 ( 1.127 0.411 -9.142) 9.221 22.495 ( -0.765 -0.454 -28.051) 28.065 22.495 ( -0.765 0.454 -28.051) 28.065 22.557 ( 0.746 -0.888 -17.490) 17.528 22.557 ( 0.746 0.888 -17.490) 17.528 22.620 ( -1.043 -0.109 -26.594) 26.615 22.620 ( -1.043 0.109 -26.594) 26.615 24.939 ( 2.881 -0.347 1.610) 3.318 24.939 ( 2.881 0.347 1.610) 3.318 25.045 ( -1.417 -0.314 2.375) 2.783 25.045 ( -1.417 0.314 2.375) 2.783 26.232 ( 1.844 -2.133 28.725) 28.863 26.232 ( 1.844 2.133 28.725) 28.863 26.547 ( -6.189 -4.468 16.740) 18.399 26.547 ( -6.189 4.468 16.740) 18.399 27.087 ( 0.997 -1.332 -15.647) 15.735 27.087 ( 0.997 1.332 -15.647) 15.735 27.193 ( -0.190 -0.780 -18.282) 18.299 27.193 ( -0.190 0.780 -18.282) 18.299 27.349 ( 1.673 -1.234 4.935) 5.355 27.349 ( 1.673 1.234 4.935) 5.355 27.604 ( 3.496 -2.443 -0.321) 4.277 27.604 ( 3.496 2.443 -0.321) 4.277 29.084 ( 1.504 -0.244 21.700) 21.754 29.084 ( 1.504 0.244 21.700) 21.754 29.334 ( -9.254 -2.717 25.870) 27.609 29.334 ( -9.254 2.717 25.870) 27.609 30.496 ( 2.097 -0.337 -1.451) 2.572 30.496 ( 2.097 0.337 -1.451) 2.572 30.599 ( -2.429 -0.094 0.281) 2.447 30.599 ( -2.429 0.094 0.281) 2.447 31.914 ( 5.469 -6.759 -14.508) 16.914 31.914 ( 5.469 6.759 -14.508) 16.914 32.085 ( -0.779 -5.565 -17.527) 18.405 32.085 ( -0.779 5.565 -17.527) 18.405 32.478 ( 7.833 -2.862 -26.942) 28.204 32.478 ( 7.833 2.862 -26.942) 28.204 32.809 ( -1.684 -5.699 -34.564) 35.071 32.809 ( -1.684 5.699 -34.564) 35.071 39.742 ( 2.079 -1.171 1.828) 3.006 39.742 ( 2.079 1.171 1.828) 3.006 39.955 ( 6.888 -0.574 -1.136) 7.005 39.955 ( 6.888 0.574 -1.136) 7.005 40.035 ( -3.763 -1.994 1.149) 4.411 40.035 ( -3.763 1.994 1.149) 4.411 40.622 ( -7.814 -2.576 -8.204) 11.619 40.622 ( -7.814 2.576 -8.204) 11.619 41.260 ( 3.903 -0.155 11.196) 11.858 41.260 ( 3.903 0.155 11.196) 11.858 41.412 ( -3.014 -3.690 7.242) 8.669 41.412 ( -3.014 3.690 7.242) 8.669 41.858 ( 0.290 -3.024 7.773) 8.346 41.858 ( 0.290 3.024 7.773) 8.346 42.166 ( 2.313 -6.774 3.455) 7.948 42.166 ( 2.313 6.774 3.455) 7.948 ======================= Grid point 125 (48/72) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -0.000 -0.000 1.331) 1.331 2.906 ( 0.000 0.000 1.331) 1.331 2.914 ( 0.000 0.000 3.954) 3.954 2.914 ( 0.000 0.000 3.954) 3.954 3.295 ( 0.000 0.000 -7.283) 7.283 3.295 ( 0.000 0.000 -7.283) 7.283 3.334 ( -0.000 0.000 -6.655) 6.655 3.334 ( 0.000 0.000 -6.655) 6.655 3.556 ( 0.000 0.000 25.894) 25.894 3.556 ( 0.000 0.000 25.894) 25.894 4.033 ( 0.000 0.000 22.105) 22.105 4.033 ( 0.000 0.000 22.105) 22.105 4.157 ( 0.000 0.000 20.005) 20.005 4.157 ( 0.000 0.000 20.005) 20.005 4.535 ( 0.000 0.000 23.302) 23.302 4.535 ( 0.000 0.000 23.302) 23.302 5.128 ( 0.000 0.000 5.093) 5.093 5.128 ( 0.000 0.000 5.093) 5.093 5.447 ( -0.000 0.000 11.441) 11.441 5.447 ( 0.000 0.000 11.441) 11.441 5.477 ( 0.000 -0.000 7.707) 7.707 5.477 ( 0.000 0.000 7.707) 7.707 5.797 ( 0.000 0.000 9.481) 9.481 5.797 ( 0.000 0.000 9.481) 9.481 6.058 ( 0.000 0.000 9.373) 9.373 6.058 ( 0.000 0.000 9.373) 9.373 6.289 ( 0.000 0.000 0.331) 0.331 6.289 ( 0.000 0.000 0.331) 0.331 6.594 ( 0.000 0.000 -16.175) 16.175 6.594 ( 0.000 0.000 -16.175) 16.175 6.678 ( 0.000 -0.000 -8.844) 8.844 6.678 ( 0.000 0.000 -8.844) 8.844 7.069 ( 0.000 0.000 -3.185) 3.185 7.069 ( 0.000 0.000 -3.185) 3.185 7.087 ( 0.000 0.000 -16.355) 16.355 7.087 ( 0.000 -0.000 -16.355) 16.355 7.380 ( -0.000 0.000 1.402) 1.402 7.380 ( 0.000 0.000 1.402) 1.402 7.622 ( 0.000 0.000 11.045) 11.045 7.622 ( 0.000 0.000 11.045) 11.045 7.744 ( 0.000 0.000 25.642) 25.642 7.744 ( 0.000 0.000 25.642) 25.642 7.859 ( -0.000 0.000 -3.797) 3.797 7.859 ( -0.000 -0.000 -3.797) 3.797 7.912 ( 0.000 -0.000 9.649) 9.649 7.912 ( 0.000 0.000 9.649) 9.649 8.435 ( -0.000 0.000 12.965) 12.965 8.435 ( 0.000 0.000 12.965) 12.965 8.922 ( 0.000 0.000 -0.256) 0.256 8.922 ( 0.000 0.000 -0.256) 0.256 9.019 ( 0.000 0.000 14.917) 14.917 9.019 ( 0.000 0.000 14.917) 14.917 9.576 ( 0.000 0.000 -1.384) 1.384 9.576 ( 0.000 0.000 -1.384) 1.384 9.704 ( 0.000 0.000 17.859) 17.859 9.704 ( 0.000 0.000 17.859) 17.859 10.043 ( 0.000 0.000 -11.617) 11.617 10.043 ( 0.000 0.000 -11.617) 11.617 10.256 ( 0.000 0.000 18.092) 18.092 10.256 ( 0.000 0.000 18.092) 18.092 10.534 ( -0.000 0.000 34.962) 34.962 10.534 ( 0.000 0.000 34.962) 34.962 10.551 ( -0.000 0.000 25.285) 25.285 10.551 ( 0.000 0.000 25.285) 25.285 11.669 ( 0.000 0.000 -10.283) 10.283 11.669 ( 0.000 0.000 -10.283) 10.283 11.977 ( 0.000 0.000 -8.347) 8.347 11.977 ( 0.000 0.000 -8.347) 8.347 12.602 ( 0.000 0.000 5.895) 5.895 12.602 ( 0.000 0.000 5.895) 5.895 12.718 ( -0.000 0.000 5.576) 5.576 12.718 ( -0.000 0.000 5.576) 5.576 12.732 ( 0.000 -0.000 3.905) 3.905 12.732 ( 0.000 0.000 3.905) 3.905 12.959 ( 0.000 0.000 0.844) 0.844 12.959 ( 0.000 0.000 0.844) 0.844 14.116 ( -0.000 0.000 -18.924) 18.924 14.116 ( 0.000 0.000 -18.924) 18.924 14.142 ( -0.000 0.000 -16.005) 16.005 14.142 ( 0.000 0.000 -16.005) 16.005 15.562 ( -0.000 0.000 -4.675) 4.675 15.562 ( 0.000 0.000 -4.675) 4.675 15.587 ( 0.000 0.000 -2.507) 2.507 15.587 ( 0.000 0.000 -2.507) 2.507 16.129 ( -0.000 -0.000 -8.726) 8.726 16.129 ( 0.000 -0.000 -8.726) 8.726 16.146 ( -0.000 0.000 -10.767) 10.767 16.146 ( 0.000 0.000 -10.767) 10.767 16.751 ( 0.000 0.000 40.490) 40.490 16.751 ( 0.000 0.000 40.490) 40.490 16.797 ( -0.000 0.000 39.646) 39.646 16.797 ( 0.000 0.000 39.646) 39.646 18.687 ( 0.000 -0.000 1.162) 1.162 18.687 ( 0.000 0.000 1.162) 1.162 18.752 ( 0.000 0.000 4.954) 4.954 18.752 ( 0.000 0.000 4.954) 4.954 18.967 ( -0.000 -0.000 19.713) 19.713 18.967 ( 0.000 0.000 19.713) 19.713 18.970 ( -0.000 0.000 21.059) 21.059 18.970 ( -0.000 -0.000 21.059) 21.059 19.965 ( 0.000 0.000 1.531) 1.531 19.965 ( 0.000 0.000 1.531) 1.531 20.013 ( 0.000 -0.000 0.898) 0.898 20.013 ( 0.000 0.000 0.898) 0.898 20.225 ( 0.000 0.000 1.313) 1.313 20.225 ( 0.000 0.000 1.313) 1.313 20.340 ( 0.000 0.000 -3.989) 3.989 20.340 ( 0.000 0.000 -3.989) 3.989 22.097 ( 0.000 0.000 -6.421) 6.421 22.097 ( 0.000 0.000 -6.421) 6.421 22.124 ( 0.000 0.000 0.512) 0.512 22.124 ( 0.000 0.000 0.512) 0.512 22.456 ( 0.000 -0.000 -12.590) 12.590 22.456 ( 0.000 0.000 -12.590) 12.590 22.475 ( 0.000 0.000 -16.211) 16.211 22.475 ( -0.000 0.000 -16.211) 16.211 22.588 ( 0.000 0.000 -19.747) 19.747 22.588 ( 0.000 0.000 -19.747) 19.747 22.591 ( -0.000 -0.000 -31.172) 31.172 22.591 ( 0.000 0.000 -31.172) 31.172 24.970 ( 0.000 0.000 3.036) 3.036 24.970 ( 0.000 0.000 3.036) 3.036 25.030 ( 0.000 0.000 0.852) 0.852 25.030 ( 0.000 0.000 0.852) 0.852 26.258 ( -0.000 0.000 26.641) 26.641 26.258 ( 0.000 0.000 26.641) 26.641 26.473 ( 0.000 0.000 23.543) 23.543 26.473 ( 0.000 0.000 23.543) 23.543 27.102 ( 0.000 0.000 -20.459) 20.459 27.102 ( 0.000 0.000 -20.459) 20.459 27.193 ( 0.000 -0.000 -17.435) 17.435 27.193 ( 0.000 0.000 -17.435) 17.435 27.367 ( 0.000 0.000 4.703) 4.703 27.367 ( 0.000 0.000 4.703) 4.703 27.638 ( 0.000 0.000 -0.025) 0.025 27.638 ( 0.000 0.000 -0.025) 0.025 29.115 ( 0.000 0.000 24.827) 24.827 29.115 ( 0.000 0.000 24.827) 24.827 29.223 ( 0.000 0.000 23.909) 23.909 29.223 ( 0.000 0.000 23.909) 23.909 30.528 ( -0.000 0.000 -0.488) 0.488 30.528 ( 0.000 0.000 -0.488) 0.488 30.561 ( -0.000 0.000 -0.649) 0.649 30.561 ( 0.000 0.000 -0.649) 0.649 32.019 ( -0.000 -0.000 -16.187) 16.187 32.019 ( 0.000 0.000 -16.187) 16.187 32.027 ( 0.000 -0.000 -16.387) 16.387 32.027 ( 0.000 0.000 -16.387) 16.387 32.568 ( 0.000 0.000 -27.775) 27.775 32.568 ( 0.000 0.000 -27.775) 27.775 32.787 ( 0.000 0.000 -35.122) 35.122 32.787 ( 0.000 0.000 -35.122) 35.122 39.768 ( 0.000 0.000 3.730) 3.730 39.768 ( 0.000 0.000 3.730) 3.730 39.988 ( 0.000 0.000 0.077) 0.077 39.988 ( 0.000 0.000 0.077) 0.077 40.043 ( 0.000 0.000 1.873) 1.873 40.043 ( 0.000 0.000 1.873) 1.873 40.528 ( 0.000 0.000 -14.403) 14.403 40.528 ( 0.000 0.000 -14.403) 14.403 41.339 ( -0.000 -0.000 11.052) 11.052 41.339 ( 0.000 0.000 11.052) 11.052 41.349 ( 0.000 -0.000 8.562) 8.562 41.349 ( 0.000 0.000 8.562) 8.562 41.853 ( 0.000 0.000 9.185) 9.185 41.853 ( 0.000 0.000 9.185) 9.185 42.193 ( 0.000 0.000 2.377) 2.377 42.193 ( 0.000 0.000 2.377) 2.377 ======================= Grid point 140 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 0.000 0.000 12.475) 12.475 3.157 ( 0.000 0.000 10.814) 10.814 3.184 ( 0.000 0.000 34.016) 34.016 3.295 ( 0.000 0.000 16.677) 16.677 3.451 ( 0.000 0.000 -4.308) 4.308 3.474 ( 0.000 0.000 -0.298) 0.298 3.544 ( 0.000 0.000 9.773) 9.773 3.766 ( 0.000 0.000 -0.513) 0.513 3.766 ( 0.000 0.000 4.809) 4.809 4.088 ( 0.000 0.000 26.600) 26.600 4.619 ( 0.000 0.000 -12.549) 12.549 4.653 ( 0.000 0.000 15.528) 15.528 4.703 ( 0.000 0.000 28.980) 28.980 4.833 ( 0.000 0.000 14.028) 14.028 5.041 ( 0.000 0.000 0.080) 0.080 5.338 ( 0.000 0.000 -17.669) 17.669 5.360 ( 0.000 0.000 20.252) 20.252 5.418 ( 0.000 0.000 -7.328) 7.328 5.484 ( 0.000 0.000 -0.441) 0.441 5.585 ( 0.000 0.000 -9.309) 9.309 5.752 ( 0.000 0.000 8.136) 8.136 5.859 ( 0.000 0.000 -13.081) 13.081 5.944 ( 0.000 0.000 7.110) 7.110 5.956 ( 0.000 0.000 2.039) 2.039 5.999 ( 0.000 0.000 16.374) 16.374 6.008 ( 0.000 0.000 -4.665) 4.665 6.017 ( 0.000 0.000 0.160) 0.160 6.061 ( 0.000 0.000 16.371) 16.371 6.240 ( 0.000 0.000 0.701) 0.701 6.279 ( 0.000 0.000 2.132) 2.132 6.340 ( 0.000 0.000 2.715) 2.715 6.394 ( 0.000 0.000 19.368) 19.368 6.483 ( 0.000 0.000 -19.944) 19.944 6.550 ( 0.000 0.000 35.160) 35.160 6.624 ( 0.000 0.000 -10.415) 10.415 6.781 ( 0.000 0.000 0.330) 0.330 6.932 ( 0.000 0.000 0.551) 0.551 7.100 ( 0.000 0.000 -20.997) 20.997 7.113 ( 0.000 0.000 11.782) 11.782 7.348 ( 0.000 0.000 -19.676) 19.676 7.820 ( 0.000 0.000 17.724) 17.724 7.935 ( 0.000 0.000 19.468) 19.468 7.994 ( 0.000 0.000 -8.718) 8.718 8.147 ( 0.000 0.000 -9.516) 9.516 8.167 ( 0.000 0.000 1.197) 1.197 8.324 ( 0.000 0.000 -21.522) 21.522 8.342 ( 0.000 0.000 -3.167) 3.167 8.463 ( 0.000 0.000 -20.881) 20.881 8.900 ( 0.000 0.000 -6.373) 6.373 8.912 ( 0.000 0.000 -3.019) 3.019 9.028 ( 0.000 0.000 1.154) 1.154 9.091 ( 0.000 0.000 -1.824) 1.824 9.221 ( 0.000 0.000 -6.882) 6.882 9.245 ( 0.000 0.000 -4.831) 4.831 9.300 ( 0.000 0.000 -3.727) 3.727 9.336 ( 0.000 0.000 -9.367) 9.367 10.642 ( 0.000 0.000 23.100) 23.100 10.750 ( 0.000 0.000 18.396) 18.396 10.792 ( 0.000 0.000 24.942) 24.942 10.894 ( 0.000 0.000 21.859) 21.859 11.040 ( 0.000 0.000 15.442) 15.442 11.049 ( 0.000 0.000 11.279) 11.279 11.256 ( 0.000 0.000 21.665) 21.665 11.378 ( 0.000 0.000 10.318) 10.318 11.796 ( 0.000 0.000 30.735) 30.735 11.915 ( 0.000 0.000 23.872) 23.872 12.047 ( 0.000 0.000 15.101) 15.101 12.210 ( 0.000 0.000 7.232) 7.232 12.669 ( 0.000 0.000 -6.331) 6.331 12.710 ( 0.000 0.000 10.990) 10.990 12.832 ( 0.000 0.000 -11.999) 11.999 12.845 ( 0.000 0.000 -6.591) 6.591 12.914 ( 0.000 0.000 -13.571) 13.571 12.930 ( 0.000 0.000 13.219) 13.219 12.933 ( 0.000 0.000 14.421) 14.421 13.214 ( 0.000 0.000 14.997) 14.997 13.592 ( 0.000 0.000 -24.615) 24.615 13.795 ( 0.000 0.000 -23.068) 23.068 13.835 ( 0.000 0.000 -25.935) 25.935 14.091 ( 0.000 0.000 -23.351) 23.351 15.458 ( 0.000 0.000 3.130) 3.130 15.466 ( 0.000 0.000 2.037) 2.037 15.561 ( 0.000 0.000 1.924) 1.924 15.597 ( 0.000 0.000 3.573) 3.573 15.673 ( 0.000 0.000 -7.335) 7.335 15.746 ( 0.000 0.000 -9.726) 9.726 15.799 ( 0.000 0.000 -8.636) 8.636 15.951 ( 0.000 0.000 -12.338) 12.338 17.556 ( 0.000 0.000 37.738) 37.738 17.612 ( 0.000 0.000 40.361) 40.361 17.625 ( 0.000 0.000 38.331) 38.331 17.629 ( 0.000 0.000 39.531) 39.531 18.486 ( 0.000 0.000 -10.367) 10.367 18.628 ( 0.000 0.000 -11.655) 11.655 18.631 ( 0.000 0.000 -10.401) 10.401 18.712 ( 0.000 0.000 -12.919) 12.919 19.307 ( 0.000 0.000 24.702) 24.702 19.498 ( 0.000 0.000 26.086) 26.086 19.621 ( 0.000 0.000 26.562) 26.562 19.749 ( 0.000 0.000 29.366) 29.366 19.931 ( 0.000 0.000 -3.777) 3.777 19.944 ( 0.000 0.000 3.088) 3.088 20.078 ( 0.000 0.000 8.497) 8.497 20.118 ( 0.000 0.000 -2.315) 2.315 20.158 ( 0.000 0.000 -3.708) 3.708 20.171 ( 0.000 0.000 -9.196) 9.196 20.376 ( 0.000 0.000 11.118) 11.118 20.378 ( 0.000 0.000 5.646) 5.646 21.359 ( 0.000 0.000 -48.172) 48.172 21.413 ( 0.000 0.000 -48.503) 48.503 21.456 ( 0.000 0.000 -45.446) 45.446 21.476 ( 0.000 0.000 -45.855) 45.855 22.321 ( 0.000 0.000 -1.164) 1.164 22.336 ( 0.000 0.000 2.766) 2.766 22.351 ( 0.000 0.000 -0.802) 0.802 22.377 ( 0.000 0.000 2.523) 2.523 22.477 ( 0.000 0.000 0.038) 0.038 22.546 ( 0.000 0.000 2.339) 2.339 22.571 ( 0.000 0.000 -0.351) 0.351 22.598 ( 0.000 0.000 3.618) 3.618 24.964 ( 0.000 0.000 17.632) 17.632 25.096 ( 0.000 0.000 17.832) 17.832 25.208 ( 0.000 0.000 17.143) 17.143 25.391 ( 0.000 0.000 19.900) 19.900 26.062 ( 0.000 0.000 -27.866) 27.866 26.237 ( 0.000 0.000 -22.592) 22.592 26.242 ( 0.000 0.000 -33.245) 33.245 26.536 ( 0.000 0.000 -27.688) 27.688 27.020 ( 0.000 0.000 12.279) 12.279 27.067 ( 0.000 0.000 13.913) 13.913 27.284 ( 0.000 0.000 3.047) 3.047 27.328 ( 0.000 0.000 -0.353) 0.353 27.341 ( 0.000 0.000 8.982) 8.982 27.411 ( 0.000 0.000 4.946) 4.946 27.470 ( 0.000 0.000 2.005) 2.005 27.477 ( 0.000 0.000 2.505) 2.505 29.498 ( 0.000 0.000 25.902) 25.902 29.565 ( 0.000 0.000 28.565) 28.565 30.066 ( 0.000 0.000 23.447) 23.447 30.254 ( 0.000 0.000 15.230) 15.230 30.325 ( 0.000 0.000 -4.944) 4.944 30.375 ( 0.000 0.000 -7.982) 7.982 30.618 ( 0.000 0.000 -5.233) 5.233 30.618 ( 0.000 0.000 -5.704) 5.704 31.561 ( 0.000 0.000 -6.557) 6.557 31.622 ( 0.000 0.000 -0.477) 0.477 31.701 ( 0.000 0.000 -10.954) 10.954 31.746 ( 0.000 0.000 -11.727) 11.727 31.766 ( 0.000 0.000 -11.351) 11.351 31.961 ( 0.000 0.000 -20.386) 20.386 32.082 ( 0.000 0.000 -22.635) 22.635 32.324 ( 0.000 0.000 -30.806) 30.806 39.596 ( 0.000 0.000 -2.052) 2.052 39.609 ( 0.000 0.000 -3.228) 3.228 39.726 ( 0.000 0.000 -1.134) 1.134 39.764 ( 0.000 0.000 -3.632) 3.632 40.152 ( 0.000 0.000 8.396) 8.396 40.386 ( 0.000 0.000 9.168) 9.168 40.659 ( 0.000 0.000 -16.544) 16.544 40.851 ( 0.000 0.000 -8.085) 8.085 41.336 ( 0.000 0.000 8.207) 8.207 41.411 ( 0.000 0.000 5.503) 5.503 41.446 ( 0.000 0.000 5.657) 5.657 41.496 ( 0.000 0.000 -2.153) 2.153 41.920 ( 0.000 0.000 10.173) 10.173 42.000 ( 0.000 0.000 5.576) 5.576 42.067 ( 0.000 0.000 13.449) 13.449 42.418 ( 0.000 0.000 -4.305) 4.305 ======================= Grid point 141 (50/72) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( -5.252 0.000 8.277) 9.802 3.122 ( -5.376 0.000 9.015) 10.496 3.186 ( -7.428 0.000 12.965) 14.942 3.205 ( -12.456 0.000 8.204) 14.915 3.235 ( 3.052 0.000 25.144) 25.328 3.379 ( -8.040 0.000 -5.814) 9.922 3.586 ( -4.717 0.000 -3.123) 5.657 3.595 ( -14.186 0.000 -3.469) 14.604 3.791 ( 2.797 0.000 8.514) 8.961 4.105 ( 2.798 0.000 28.429) 28.567 4.605 ( -1.664 0.000 12.548) 12.658 4.663 ( -6.578 0.000 19.610) 20.684 4.694 ( 2.679 0.000 15.697) 15.924 4.753 ( -1.667 0.000 5.490) 5.737 5.078 ( -17.703 0.000 9.610) 20.143 5.111 ( 8.611 0.000 0.080) 8.611 5.231 ( -19.294 0.000 11.662) 22.545 5.373 ( -0.552 0.000 -4.595) 4.628 5.544 ( 4.661 0.000 1.894) 5.031 5.580 ( 8.450 0.000 0.015) 8.451 5.777 ( -4.665 0.000 -8.091) 9.340 5.809 ( -13.410 0.000 7.442) 15.337 5.818 ( 3.894 0.000 10.841) 11.519 5.922 ( -11.160 0.000 25.184) 27.546 5.954 ( 3.796 0.000 0.034) 3.796 6.135 ( 8.976 0.000 -14.508) 17.060 6.162 ( 9.793 0.000 -2.266) 10.051 6.264 ( 10.864 0.000 2.211) 11.087 6.275 ( 7.770 0.000 -11.202) 13.633 6.360 ( 1.070 0.000 -5.914) 6.010 6.368 ( -7.994 0.000 23.713) 25.024 6.462 ( 4.167 0.000 -12.986) 13.639 6.500 ( 2.728 0.000 7.488) 7.969 6.596 ( 13.711 0.000 -0.859) 13.738 6.781 ( 3.005 0.000 1.861) 3.534 6.835 ( 19.210 0.000 -9.116) 21.263 6.958 ( 4.694 0.000 8.107) 9.368 7.092 ( 0.606 0.000 11.035) 11.051 7.214 ( 4.993 0.000 -20.697) 21.291 7.247 ( -8.775 0.000 -24.092) 25.640 7.871 ( 4.344 0.000 18.844) 19.338 7.937 ( 1.764 0.000 8.955) 9.127 7.975 ( -12.581 0.000 -6.181) 14.017 8.060 ( -11.680 0.000 -10.869) 15.955 8.172 ( 14.074 0.000 6.381) 15.452 8.292 ( 14.704 0.000 -1.897) 14.826 8.568 ( 8.382 0.000 -6.074) 10.351 8.652 ( 12.210 0.000 -9.205) 15.291 8.893 ( -4.023 0.000 1.409) 4.262 8.895 ( -0.235 0.000 -1.623) 1.640 8.947 ( -4.128 0.000 0.469) 4.155 8.968 ( -6.092 0.000 -0.967) 6.169 9.329 ( 6.970 0.000 -8.342) 10.870 9.358 ( 10.898 0.000 -9.580) 14.510 9.414 ( 7.894 0.000 -4.400) 9.038 9.465 ( 10.272 0.000 -7.939) 12.982 10.589 ( -5.143 0.000 22.641) 23.218 10.633 ( -11.333 0.000 17.447) 20.805 10.692 ( -6.066 0.000 21.469) 22.309 10.764 ( -12.424 0.000 21.462) 24.799 11.027 ( -1.311 0.000 14.802) 14.860 11.071 ( -0.311 0.000 7.842) 7.848 11.219 ( -3.616 0.000 20.195) 20.516 11.313 ( -6.885 0.000 6.432) 9.422 11.814 ( 1.562 0.000 32.674) 32.711 11.903 ( -0.840 0.000 26.083) 26.097 12.038 ( -1.198 0.000 15.515) 15.561 12.166 ( -4.131 0.000 7.861) 8.881 12.662 ( -0.435 0.000 -5.419) 5.437 12.693 ( -0.951 0.000 10.838) 10.879 12.804 ( -3.377 0.000 -5.009) 6.041 12.843 ( 0.793 0.000 -9.964) 9.996 12.899 ( -0.963 0.000 -0.758) 1.226 12.904 ( -2.202 0.000 12.048) 12.248 12.925 ( -1.075 0.000 2.012) 2.281 13.155 ( -5.283 0.000 13.450) 14.450 13.596 ( 0.419 0.000 -24.955) 24.959 13.763 ( -2.678 0.000 -23.001) 23.157 13.821 ( -1.704 0.000 -26.143) 26.198 14.012 ( -7.199 0.000 -23.246) 24.335 15.470 ( 1.376 0.000 3.136) 3.425 15.492 ( 2.373 0.000 2.707) 3.600 15.578 ( 1.575 0.000 2.315) 2.800 15.600 ( 0.190 0.000 3.293) 3.298 15.732 ( 5.374 0.000 -7.095) 8.901 15.781 ( 3.207 0.000 -9.251) 9.791 15.857 ( 4.749 0.000 -8.646) 9.865 15.968 ( 1.312 0.000 -12.027) 12.099 17.558 ( 0.208 0.000 37.860) 37.861 17.609 ( -0.214 0.000 40.385) 40.386 17.618 ( -0.631 0.000 38.345) 38.350 17.626 ( -0.295 0.000 39.660) 39.661 18.500 ( 1.301 0.000 -10.797) 10.875 18.618 ( -0.975 0.000 -11.436) 11.477 18.629 ( -0.118 0.000 -10.488) 10.489 18.700 ( -1.178 0.000 -12.324) 12.380 19.324 ( 1.676 0.000 24.388) 24.445 19.495 ( -0.430 0.000 25.626) 25.629 19.587 ( -2.956 0.000 27.328) 27.488 19.699 ( -4.538 0.000 29.305) 29.654 19.945 ( 1.289 0.000 -3.960) 4.164 19.949 ( 0.420 0.000 2.993) 3.023 20.044 ( -2.165 0.000 4.170) 4.699 20.114 ( -2.304 0.000 -6.594) 6.985 20.154 ( 2.453 0.000 2.469) 3.481 20.217 ( 2.474 0.000 -5.502) 6.032 20.358 ( -1.714 0.000 10.781) 10.917 20.360 ( -1.558 0.000 4.224) 4.502 21.368 ( 0.833 0.000 -48.245) 48.252 21.388 ( -2.251 0.000 -48.899) 48.951 21.439 ( -3.374 0.000 -46.214) 46.337 21.445 ( -0.978 0.000 -45.789) 45.800 22.329 ( 0.874 0.000 -0.757) 1.156 22.338 ( 0.545 0.000 2.164) 2.232 22.371 ( 1.460 0.000 -0.041) 1.460 22.390 ( 1.096 0.000 2.148) 2.412 22.474 ( -0.238 0.000 0.169) 0.292 22.534 ( -1.029 0.000 1.893) 2.154 22.563 ( -0.665 0.000 0.135) 0.678 22.589 ( -0.979 0.000 3.401) 3.539 25.014 ( 4.580 0.000 17.504) 18.094 25.103 ( 0.765 0.000 17.821) 17.837 25.220 ( 0.993 0.000 17.226) 17.254 25.347 ( -3.914 0.000 19.463) 19.852 26.105 ( 3.870 0.000 -27.073) 27.348 26.249 ( 0.651 0.000 -32.810) 32.817 26.258 ( 1.619 0.000 -22.140) 22.200 26.487 ( -4.340 0.000 -27.849) 28.185 27.042 ( 1.983 0.000 11.852) 12.017 27.068 ( 0.231 0.000 14.217) 14.219 27.253 ( -2.570 0.000 7.738) 8.153 27.271 ( -4.272 0.000 5.866) 7.257 27.355 ( 1.259 0.000 4.673) 4.839 27.428 ( 1.227 0.000 4.071) 4.252 27.483 ( 2.571 0.000 -0.232) 2.582 27.542 ( 3.545 0.000 -1.623) 3.899 29.510 ( 1.305 0.000 25.180) 25.214 29.578 ( 1.317 0.000 28.206) 28.237 29.945 ( -8.797 0.000 19.739) 21.610 30.082 ( -11.794 0.000 13.125) 17.645 30.400 ( 4.171 0.000 -0.355) 4.186 30.459 ( 5.340 0.000 -0.871) 5.410 30.611 ( -0.673 0.000 -4.612) 4.661 30.647 ( 1.389 0.000 -0.993) 1.708 31.563 ( 0.925 0.000 -3.754) 3.866 31.693 ( 5.811 0.000 -8.318) 10.147 31.714 ( 2.085 0.000 -11.122) 11.316 31.756 ( -0.923 0.000 -10.594) 10.634 31.841 ( 7.687 0.000 -17.678) 19.277 31.956 ( -0.604 0.000 -20.312) 20.321 32.074 ( -0.933 0.000 -22.686) 22.705 32.301 ( -2.210 0.000 -30.687) 30.766 39.636 ( 3.912 0.000 -1.135) 4.074 39.683 ( 7.084 0.000 -3.837) 8.057 39.747 ( 2.053 0.000 -0.494) 2.112 39.807 ( 4.119 0.000 -3.839) 5.631 40.114 ( -3.551 0.000 7.156) 7.988 40.310 ( -6.993 0.000 7.875) 10.531 40.554 ( -9.414 0.000 -13.972) 16.848 40.733 ( -10.237 0.000 -9.282) 13.819 41.386 ( 4.270 0.000 8.616) 9.616 41.427 ( -0.065 0.000 5.704) 5.705 41.448 ( 0.388 0.000 5.532) 5.546 41.530 ( 4.066 0.000 0.607) 4.111 41.999 ( 6.531 0.000 6.096) 8.934 42.012 ( 0.816 0.000 6.312) 6.365 42.052 ( -1.246 0.000 13.408) 13.466 42.398 ( -1.920 0.000 -4.056) 4.487 ======================= Grid point 142 (51/72) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -5.115 0.000 4.093) 6.552 2.942 ( -8.071 0.000 7.344) 10.912 3.079 ( -8.331 0.000 -0.221) 8.334 3.114 ( 0.439 0.000 0.483) 0.653 3.148 ( -8.241 0.000 -4.000) 9.160 3.186 ( -9.672 0.000 1.472) 9.783 3.331 ( -11.526 0.000 -5.396) 12.727 3.401 ( -11.570 0.000 -8.056) 14.098 3.950 ( 14.350 0.000 24.709) 28.574 4.227 ( 9.202 0.000 28.699) 30.138 4.535 ( -4.891 0.000 19.822) 20.416 4.589 ( 2.208 0.000 26.802) 26.893 4.643 ( -10.665 0.000 18.800) 21.614 4.804 ( -5.937 0.000 22.961) 23.717 4.812 ( 4.205 0.000 9.018) 9.951 4.921 ( -11.067 0.000 15.384) 18.951 5.231 ( -2.387 0.000 2.912) 3.766 5.391 ( 2.314 0.000 3.499) 4.195 5.415 ( -13.980 0.000 2.335) 14.174 5.666 ( -0.909 0.000 23.885) 23.902 5.678 ( 2.585 0.000 3.208) 4.120 5.808 ( -4.573 0.000 5.364) 7.049 5.823 ( 3.858 0.000 -6.943) 7.943 5.889 ( 9.621 0.000 14.302) 17.237 5.967 ( 5.411 0.000 -4.289) 6.904 6.156 ( -9.015 0.000 -4.196) 9.944 6.255 ( 2.819 0.000 -17.014) 17.246 6.379 ( 4.901 0.000 4.561) 6.695 6.389 ( -6.256 0.000 -1.715) 6.487 6.420 ( 5.309 0.000 -11.273) 12.460 6.427 ( 3.236 0.000 -6.488) 7.250 6.487 ( 6.936 0.000 -11.568) 13.488 6.521 ( 3.897 0.000 4.464) 5.926 6.772 ( 3.394 0.000 -13.559) 13.977 6.856 ( -2.132 0.000 -0.285) 2.151 6.973 ( -2.224 0.000 -13.516) 13.697 7.049 ( -3.576 0.000 -26.945) 27.181 7.243 ( -3.091 0.000 -18.400) 18.658 7.281 ( 22.049 0.000 8.770) 23.729 7.365 ( 14.192 0.000 -14.735) 20.458 7.824 ( 0.951 0.000 3.378) 3.509 7.938 ( 4.669 0.000 6.492) 7.997 7.957 ( 3.788 0.000 15.319) 15.780 7.983 ( 2.314 0.000 10.016) 10.280 8.482 ( 12.738 0.000 10.474) 16.491 8.570 ( 7.492 0.000 6.157) 9.698 8.645 ( -9.839 0.000 10.770) 14.588 8.693 ( -5.386 0.000 4.882) 7.269 8.808 ( 1.930 0.000 1.868) 2.686 8.909 ( -2.049 0.000 0.327) 2.075 8.962 ( 8.832 0.000 -1.686) 8.992 8.997 ( 11.150 0.000 0.405) 11.157 9.485 ( 7.140 0.000 -7.207) 10.145 9.543 ( 4.264 0.000 -3.845) 5.741 9.593 ( 11.141 0.000 -10.084) 15.027 9.664 ( 7.942 0.000 -8.061) 11.316 10.337 ( -16.049 0.000 17.408) 23.677 10.438 ( -18.522 0.000 21.443) 28.335 10.517 ( 0.992 0.000 17.754) 17.782 10.629 ( -0.233 0.000 15.415) 15.417 10.994 ( -6.881 0.000 0.065) 6.882 10.996 ( -1.234 0.000 11.792) 11.856 11.104 ( -13.111 0.000 0.834) 13.138 11.119 ( -6.023 0.000 15.249) 16.396 11.844 ( 1.302 0.000 33.980) 34.005 11.890 ( -0.688 0.000 30.616) 30.624 12.000 ( -1.990 0.000 17.125) 17.240 12.064 ( -5.241 0.000 11.826) 12.935 12.670 ( 1.475 0.000 -5.060) 5.271 12.703 ( 2.200 0.000 10.319) 10.550 12.743 ( -2.305 0.000 -4.295) 4.875 12.838 ( -2.077 0.000 3.788) 4.320 12.871 ( -0.379 0.000 11.795) 11.801 12.889 ( 0.075 0.000 0.010) 0.075 12.902 ( -0.592 0.000 -8.885) 8.905 13.029 ( -6.741 0.000 11.534) 13.360 13.616 ( 1.877 0.000 -25.477) 25.546 13.715 ( -1.386 0.000 -22.916) 22.958 13.761 ( -4.061 0.000 -26.330) 26.642 13.849 ( -7.858 0.000 -23.080) 24.381 15.514 ( 2.754 0.000 3.239) 4.251 15.550 ( 3.087 0.000 3.625) 4.761 15.597 ( -0.734 0.000 3.209) 3.292 15.608 ( 0.894 0.000 3.189) 3.312 15.856 ( 6.107 0.000 -7.261) 9.488 15.862 ( 4.526 0.000 -8.812) 9.907 15.942 ( 2.761 0.000 -8.475) 8.914 15.982 ( -0.368 0.000 -10.906) 10.913 17.566 ( 0.559 0.000 38.113) 38.117 17.601 ( -1.012 0.000 38.356) 38.369 17.606 ( -0.061 0.000 40.410) 40.410 17.618 ( -0.512 0.000 39.994) 39.998 18.532 ( 1.752 0.000 -11.530) 11.663 18.594 ( -1.352 0.000 -11.271) 11.352 18.630 ( 0.281 0.000 -10.639) 10.643 18.671 ( -1.559 0.000 -11.336) 11.442 19.370 ( 2.819 0.000 23.943) 24.108 19.475 ( -1.639 0.000 24.645) 24.700 19.529 ( -2.109 0.000 28.357) 28.436 19.597 ( -4.940 0.000 29.059) 29.476 19.960 ( 0.721 0.000 2.709) 2.804 19.980 ( 2.069 0.000 -4.458) 4.915 20.005 ( -1.648 0.000 2.769) 3.222 20.070 ( -2.232 0.000 -6.111) 6.506 20.205 ( 2.587 0.000 5.287) 5.885 20.262 ( 1.939 0.000 -3.819) 4.283 20.313 ( -2.631 0.000 9.673) 10.024 20.327 ( -1.609 0.000 1.225) 2.023 21.340 ( -2.107 0.000 -49.260) 49.305 21.365 ( -3.404 0.000 -47.261) 47.383 21.385 ( 0.794 0.000 -48.135) 48.141 21.422 ( -1.217 0.000 -46.599) 46.615 22.354 ( 1.534 0.000 -0.197) 1.546 22.359 ( 1.433 0.000 2.042) 2.494 22.396 ( 0.657 0.000 0.665) 0.934 22.405 ( -0.077 0.000 1.029) 1.032 22.479 ( 1.139 0.000 1.189) 1.646 22.515 ( -0.538 0.000 1.223) 1.336 22.545 ( -1.114 0.000 0.473) 1.210 22.560 ( -1.878 0.000 2.864) 3.425 25.120 ( 5.352 0.000 17.477) 18.278 25.130 ( 1.932 0.000 18.030) 18.133 25.234 ( -0.023 0.000 17.489) 17.489 25.259 ( -4.424 0.000 18.901) 19.412 26.193 ( 4.361 0.000 -25.263) 25.637 26.267 ( 1.275 0.000 -31.517) 31.543 26.281 ( 0.310 0.000 -22.063) 22.065 26.388 ( -4.931 0.000 -28.532) 28.955 27.082 ( 1.365 0.000 14.384) 14.449 27.090 ( 2.676 0.000 11.261) 11.575 27.189 ( -3.731 0.000 11.106) 11.716 27.197 ( -2.803 0.000 10.673) 11.035 27.389 ( 2.022 0.000 2.164) 2.961 27.443 ( 0.046 0.000 2.427) 2.427 27.545 ( 3.048 0.000 -2.799) 4.138 27.592 ( 1.270 0.000 -4.436) 4.614 29.559 ( 3.815 0.000 23.557) 23.864 29.616 ( 2.428 0.000 26.897) 27.006 29.784 ( -6.756 0.000 21.225) 22.274 29.850 ( -10.706 0.000 17.676) 20.665 30.488 ( 4.647 0.000 2.050) 5.079 30.536 ( 2.456 0.000 2.986) 3.867 30.594 ( -0.971 0.000 -1.276) 1.604 30.641 ( -1.941 0.000 3.249) 3.785 31.601 ( 2.723 0.000 -4.859) 5.570 31.717 ( -2.280 0.000 -9.945) 10.203 31.779 ( 4.158 0.000 -13.802) 14.415 31.835 ( 7.114 0.000 -15.828) 17.353 31.929 ( -2.237 0.000 -19.508) 19.636 32.007 ( 8.059 0.000 -25.399) 26.647 32.040 ( -2.623 0.000 -22.509) 22.661 32.240 ( -3.860 0.000 -30.412) 30.656 39.745 ( 6.700 0.000 1.575) 6.882 39.804 ( 3.401 0.000 1.529) 3.729 39.872 ( 11.012 0.000 -4.461) 11.882 39.921 ( 7.149 0.000 -3.942) 8.164 40.027 ( -4.665 0.000 3.958) 6.118 40.139 ( -9.312 0.000 4.841) 10.495 40.341 ( -10.530 0.000 -11.091) 15.293 40.486 ( -13.635 0.000 -11.187) 17.637 41.450 ( 2.811 0.000 6.599) 7.172 41.461 ( 2.016 0.000 7.389) 7.659 41.471 ( 2.221 0.000 6.862) 7.212 41.578 ( -0.262 0.000 2.772) 2.785 42.017 ( -0.245 0.000 9.483) 9.486 42.034 ( -0.467 0.000 11.648) 11.658 42.139 ( 6.928 0.000 1.286) 7.047 42.346 ( -3.289 0.000 -3.163) 4.563 ======================= Grid point 143 (52/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -4.426 0.000 0.309) 4.437 2.896 ( 4.426 0.000 0.309) 4.437 2.945 ( -9.988 0.000 -1.702) 10.132 2.945 ( 9.988 0.000 -1.702) 10.132 3.153 ( -5.446 0.000 -4.591) 7.123 3.153 ( 5.446 0.000 -4.591) 7.123 3.198 ( -7.641 0.000 -6.634) 10.119 3.198 ( 7.641 0.000 -6.634) 10.119 4.311 ( -19.700 0.000 26.396) 32.936 4.311 ( 19.700 0.000 26.396) 32.936 4.411 ( -7.773 0.000 21.878) 23.218 4.411 ( 7.773 0.000 21.878) 23.218 4.750 ( -11.045 0.000 33.463) 35.238 4.750 ( 11.045 0.000 33.463) 35.238 4.793 ( -3.735 0.000 19.841) 20.190 4.793 ( 3.735 0.000 19.841) 20.190 5.196 ( -6.453 0.000 -7.164) 9.642 5.196 ( 6.453 0.000 -7.164) 9.642 5.495 ( -8.750 0.000 18.260) 20.248 5.495 ( 8.750 0.000 18.260) 20.248 5.847 ( -2.871 0.000 2.985) 4.142 5.847 ( 2.871 0.000 2.985) 4.142 5.887 ( -13.608 0.000 2.390) 13.816 5.887 ( 13.608 0.000 2.390) 13.816 6.143 ( -10.301 0.000 -15.052) 18.239 6.143 ( 10.301 0.000 -15.052) 18.239 6.158 ( -12.916 0.000 2.969) 13.253 6.158 ( 12.916 0.000 2.969) 13.253 6.458 ( -2.618 0.000 -9.383) 9.741 6.458 ( 2.618 0.000 -9.383) 9.741 6.537 ( -2.445 0.000 -9.013) 9.338 6.537 ( 2.445 0.000 -9.013) 9.338 6.672 ( -10.500 0.000 0.494) 10.512 6.672 ( 10.500 0.000 0.494) 10.512 6.870 ( -6.879 0.000 -19.725) 20.890 6.870 ( 6.879 0.000 -19.725) 20.890 7.135 ( -6.729 0.000 -17.834) 19.062 7.135 ( 6.729 0.000 -17.834) 19.062 7.471 ( -1.270 0.000 -16.889) 16.937 7.471 ( 1.270 0.000 -16.889) 16.937 8.005 ( -0.655 0.000 13.499) 13.515 8.005 ( 0.655 0.000 13.499) 13.515 8.058 ( -12.730 0.000 12.152) 17.599 8.058 ( 12.730 0.000 12.152) 17.599 8.490 ( -10.409 0.000 22.602) 24.883 8.490 ( 10.409 0.000 22.602) 24.883 8.606 ( -1.638 0.000 7.449) 7.627 8.606 ( 1.638 0.000 7.449) 7.627 8.863 ( -3.378 0.000 -0.425) 3.405 8.863 ( 3.378 0.000 -0.425) 3.405 9.161 ( -2.920 0.000 -1.829) 3.445 9.161 ( 2.920 0.000 -1.829) 3.445 9.573 ( -1.385 0.000 -3.747) 3.995 9.573 ( 1.385 0.000 -3.747) 3.995 9.731 ( -1.502 0.000 -8.210) 8.347 9.731 ( 1.502 0.000 -8.210) 8.347 10.162 ( -3.547 0.000 21.356) 21.648 10.162 ( 3.547 0.000 21.356) 21.648 10.620 ( -4.713 0.000 16.761) 17.411 10.620 ( 4.713 0.000 16.761) 17.411 10.899 ( -2.632 0.000 -6.346) 6.870 10.899 ( 2.632 0.000 -6.346) 6.870 11.012 ( -3.496 0.000 10.329) 10.905 11.012 ( 3.496 0.000 10.329) 10.905 11.869 ( -1.260 0.000 33.375) 33.399 11.869 ( 1.260 0.000 33.375) 33.399 11.991 ( -1.584 0.000 16.833) 16.907 11.991 ( 1.584 0.000 16.833) 16.907 12.707 ( -1.727 0.000 -5.444) 5.712 12.707 ( 1.727 0.000 -5.444) 5.712 12.770 ( -3.972 0.000 9.160) 9.984 12.770 ( 3.972 0.000 9.160) 9.984 12.896 ( -0.373 0.000 -6.066) 6.078 12.896 ( 0.373 0.000 -6.066) 6.078 12.910 ( -4.435 0.000 12.013) 12.805 12.910 ( 4.435 0.000 12.013) 12.805 13.676 ( -3.976 0.000 -25.980) 26.283 13.676 ( 3.976 0.000 -25.980) 26.283 13.732 ( -3.404 0.000 -22.964) 23.215 13.732 ( 3.404 0.000 -22.964) 23.215 15.566 ( -2.250 0.000 3.264) 3.964 15.566 ( 2.250 0.000 3.264) 3.964 15.601 ( -1.671 0.000 3.764) 4.118 15.601 ( 1.671 0.000 3.764) 4.118 15.945 ( -3.320 0.000 -9.441) 10.007 15.945 ( 3.320 0.000 -9.441) 10.007 15.946 ( -2.382 0.000 -7.878) 8.230 15.946 ( 2.382 0.000 -7.878) 8.230 17.581 ( -0.946 0.000 38.298) 38.310 17.581 ( 0.946 0.000 38.298) 38.310 17.608 ( -0.340 0.000 40.306) 40.307 17.608 ( 0.340 0.000 40.306) 40.307 18.565 ( -1.503 0.000 -11.578) 11.675 18.565 ( 1.503 0.000 -11.578) 11.675 18.643 ( -1.072 0.000 -10.814) 10.867 18.643 ( 1.072 0.000 -10.814) 10.867 19.429 ( -2.841 0.000 23.956) 24.124 19.429 ( 2.841 0.000 23.956) 24.124 19.525 ( -1.855 0.000 28.747) 28.807 19.525 ( 1.855 0.000 28.747) 28.807 19.978 ( -1.078 0.000 2.477) 2.702 19.978 ( 1.078 0.000 2.477) 2.702 20.024 ( -2.301 0.000 -5.210) 5.695 20.024 ( 2.301 0.000 -5.210) 5.695 20.258 ( -2.758 0.000 7.742) 8.218 20.258 ( 2.758 0.000 7.742) 8.218 20.296 ( -1.543 0.000 -1.635) 2.248 20.296 ( 1.543 0.000 -1.635) 2.248 21.322 ( -0.601 0.000 -48.583) 48.587 21.322 ( 0.601 0.000 -48.583) 48.587 21.401 ( -0.855 0.000 -47.509) 47.517 21.401 ( 0.855 0.000 -47.509) 47.517 22.386 ( -1.507 0.000 0.202) 1.520 22.386 ( 1.507 0.000 0.202) 1.520 22.388 ( -1.220 0.000 1.652) 2.053 22.388 ( 1.220 0.000 1.652) 2.053 22.517 ( -2.283 0.000 2.226) 3.189 22.517 ( 2.283 0.000 2.226) 3.189 22.522 ( -1.059 0.000 0.580) 1.208 22.522 ( 1.059 0.000 0.580) 1.208 25.181 ( -3.260 0.000 18.458) 18.744 25.181 ( 3.260 0.000 18.458) 18.744 25.206 ( -2.917 0.000 17.624) 17.864 25.206 ( 2.917 0.000 17.624) 17.864 26.262 ( -2.288 0.000 -23.291) 23.404 26.262 ( 2.288 0.000 -23.291) 23.404 26.308 ( -2.964 0.000 -29.858) 30.004 26.308 ( 2.964 0.000 -29.858) 30.004 27.124 ( -2.735 0.000 13.522) 13.796 27.124 ( 2.735 0.000 13.522) 13.796 27.144 ( -2.625 0.000 11.211) 11.514 27.144 ( 2.625 0.000 11.211) 11.514 27.427 ( -1.575 0.000 1.614) 2.255 27.427 ( 1.575 0.000 1.614) 2.255 27.591 ( -1.318 0.000 -4.466) 4.656 27.591 ( 1.318 0.000 -4.466) 4.656 29.669 ( -7.273 0.000 21.273) 22.482 29.669 ( 7.273 0.000 21.273) 22.482 29.678 ( -3.983 0.000 24.383) 24.706 29.678 ( 3.983 0.000 24.383) 24.706 30.571 ( -1.346 0.000 2.151) 2.538 30.571 ( 1.346 0.000 2.151) 2.538 30.578 ( -4.092 0.000 3.964) 5.697 30.578 ( 4.092 0.000 3.964) 5.697 31.662 ( -3.079 0.000 -7.451) 8.062 31.662 ( 3.079 0.000 -7.451) 8.062 31.865 ( -4.042 0.000 -17.095) 17.566 31.865 ( 4.042 0.000 -17.095) 17.566 31.962 ( -5.223 0.000 -20.849) 21.494 31.962 ( 5.223 0.000 -20.849) 21.494 32.145 ( -5.715 0.000 -29.350) 29.902 32.145 ( 5.715 0.000 -29.350) 29.902 39.855 ( -0.878 0.000 5.372) 5.443 39.855 ( 0.878 0.000 5.372) 5.443 39.982 ( -3.620 0.000 0.280) 3.631 39.982 ( 3.620 0.000 0.280) 3.631 40.038 ( -2.422 0.000 -1.739) 2.982 40.038 ( 2.422 0.000 -1.739) 2.982 40.242 ( -6.764 0.000 -13.585) 15.176 40.242 ( 6.764 0.000 -13.585) 15.176 41.489 ( -0.628 0.000 7.038) 7.066 41.489 ( 0.628 0.000 7.038) 7.066 41.526 ( -4.085 0.000 5.107) 6.540 41.526 ( 4.085 0.000 5.107) 6.540 42.022 ( -0.694 0.000 10.960) 10.982 42.022 ( 0.694 0.000 10.960) 10.982 42.262 ( -5.193 0.000 -1.527) 5.413 42.262 ( 5.193 0.000 -1.527) 5.413 ======================= Grid point 147 (53/72) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 0.000 1.305 12.307) 12.376 3.151 ( 0.000 -0.722 11.088) 11.111 3.256 ( 0.000 7.382 29.410) 30.322 3.320 ( 0.000 2.748 15.914) 16.149 3.445 ( 0.000 -0.745 -2.489) 2.599 3.494 ( 0.000 -4.986 11.339) 12.387 3.504 ( 0.000 3.116 0.943) 3.255 3.728 ( 0.000 -3.615 4.435) 5.722 3.748 ( 0.000 -1.575 1.982) 2.532 3.921 ( 0.000 -13.826 27.991) 31.219 4.675 ( 0.000 5.938 -11.853) 13.257 4.754 ( 0.000 10.077 22.818) 24.944 4.854 ( 0.000 11.915 21.276) 24.385 4.889 ( 0.000 5.180 6.244) 8.113 4.975 ( 0.000 -5.715 2.139) 6.102 5.240 ( 0.000 -9.643 -10.255) 14.077 5.286 ( 0.000 -6.906 15.669) 17.124 5.372 ( 0.000 -5.385 -2.922) 6.127 5.496 ( 0.000 4.411 -0.340) 4.424 5.678 ( 0.000 3.762 0.757) 3.837 5.750 ( 0.000 0.411 0.158) 0.440 5.830 ( 0.000 -1.892 -12.498) 12.640 5.883 ( 0.000 -5.311 -2.314) 5.793 5.907 ( 0.000 -3.708 5.963) 7.022 5.976 ( 0.000 0.748 0.020) 0.748 6.043 ( 0.000 0.288 8.637) 8.642 6.065 ( 0.000 0.724 16.037) 16.053 6.087 ( 0.000 6.884 -4.087) 8.006 6.182 ( 0.000 -4.920 0.821) 4.988 6.277 ( 0.000 -1.183 2.545) 2.806 6.436 ( 0.000 3.422 18.126) 18.446 6.452 ( 0.000 10.304 -1.965) 10.490 6.533 ( 0.000 0.652 26.899) 26.907 6.551 ( 0.000 3.888 -5.765) 6.954 6.645 ( 0.000 2.440 -6.648) 7.081 6.750 ( 0.000 -3.437 -0.828) 3.535 6.851 ( 0.000 -7.333 3.372) 8.071 6.967 ( 0.000 -9.960 6.080) 11.669 7.191 ( 0.000 4.292 -15.386) 15.974 7.329 ( 0.000 -2.311 -20.957) 21.084 7.843 ( 0.000 2.413 19.354) 19.504 7.927 ( 0.000 -1.022 19.735) 19.761 8.000 ( 0.000 0.728 -8.149) 8.181 8.079 ( 0.000 -3.717 -5.789) 6.879 8.240 ( 0.000 4.248 -3.024) 5.215 8.335 ( 0.000 -0.870 -3.165) 3.283 8.365 ( 0.000 3.896 -22.653) 22.986 8.463 ( 0.000 -0.372 -22.431) 22.434 8.907 ( 0.000 1.176 -3.902) 4.075 8.919 ( 0.000 0.877 -2.241) 2.406 8.998 ( 0.000 -2.777 0.489) 2.820 9.040 ( 0.000 -4.615 -1.935) 5.004 9.256 ( 0.000 2.933 -7.325) 7.891 9.260 ( 0.000 1.386 -4.456) 4.667 9.298 ( 0.000 -0.315 -3.907) 3.920 9.332 ( 0.000 -0.691 -9.605) 9.630 10.653 ( 0.000 1.155 22.880) 22.909 10.721 ( 0.000 -2.206 20.902) 21.018 10.821 ( 0.000 2.214 22.652) 22.760 10.885 ( 0.000 -0.990 21.813) 21.835 11.041 ( 0.000 0.087 14.915) 14.915 11.046 ( 0.000 -0.193 12.163) 12.164 11.277 ( 0.000 2.110 19.847) 19.959 11.363 ( 0.000 -1.665 11.925) 12.041 11.803 ( 0.000 0.898 30.083) 30.096 11.879 ( 0.000 -2.947 25.458) 25.628 12.090 ( 0.000 3.579 13.334) 13.806 12.196 ( 0.000 -1.561 7.932) 8.084 12.685 ( 0.000 1.657 -6.510) 6.718 12.723 ( 0.000 1.453 11.218) 11.312 12.783 ( 0.000 -3.215 -8.287) 8.889 12.836 ( 0.000 -4.726 12.796) 13.641 12.880 ( 0.000 1.709 -10.495) 10.633 12.912 ( 0.000 -0.278 -13.206) 13.209 13.035 ( 0.000 5.577 14.531) 15.564 13.191 ( 0.000 -2.458 14.977) 15.178 13.606 ( 0.000 1.549 -24.588) 24.636 13.719 ( 0.000 -4.546 -24.342) 24.763 13.919 ( 0.000 5.406 -24.503) 25.092 14.070 ( 0.000 -2.346 -23.525) 23.642 15.459 ( 0.000 0.103 2.932) 2.934 15.465 ( 0.000 -0.136 2.168) 2.172 15.566 ( 0.000 0.562 2.195) 2.266 15.592 ( 0.000 -0.544 3.353) 3.397 15.679 ( 0.000 0.637 -7.506) 7.533 15.723 ( 0.000 -1.681 -8.773) 8.932 15.833 ( 0.000 2.857 -9.781) 10.190 15.933 ( 0.000 -1.882 -11.976) 12.123 17.563 ( 0.000 0.682 38.298) 38.304 17.601 ( 0.000 -1.019 40.294) 40.307 17.628 ( 0.000 0.172 38.210) 38.210 17.630 ( 0.000 0.046 39.086) 39.086 18.501 ( 0.000 1.549 -10.278) 10.394 18.587 ( 0.000 -2.611 -10.336) 10.661 18.663 ( 0.000 1.586 -11.932) 12.037 18.706 ( 0.000 -0.710 -12.860) 12.880 19.328 ( 0.000 2.285 24.731) 24.837 19.455 ( 0.000 -3.756 25.350) 25.626 19.655 ( 0.000 2.831 27.829) 27.973 19.737 ( 0.000 -1.284 29.482) 29.510 19.935 ( 0.000 0.294 -2.460) 2.477 19.943 ( 0.000 -0.115 2.354) 2.357 20.089 ( 0.000 1.190 6.547) 6.654 20.126 ( 0.000 0.817 -3.593) 3.685 20.146 ( 0.000 -1.288 -1.946) 2.333 20.163 ( 0.000 -0.793 -8.425) 8.462 20.377 ( 0.000 0.099 9.581) 9.582 20.379 ( 0.000 0.053 6.741) 6.741 21.366 ( 0.000 0.823 -48.166) 48.173 21.405 ( 0.000 -0.866 -48.345) 48.353 21.459 ( 0.000 0.311 -45.613) 45.614 21.473 ( 0.000 -0.320 -45.855) 45.856 22.323 ( 0.000 0.313 -1.106) 1.149 22.341 ( 0.000 0.527 2.720) 2.771 22.344 ( 0.000 -0.670 -0.840) 1.074 22.370 ( 0.000 -0.744 2.541) 2.648 22.493 ( 0.000 1.634 -0.036) 1.634 22.555 ( 0.000 0.932 2.544) 2.709 22.559 ( 0.000 -1.275 -0.301) 1.310 22.592 ( 0.000 -0.703 3.442) 3.513 24.976 ( 0.000 1.297 17.572) 17.620 25.060 ( 0.000 -2.927 17.520) 17.763 25.253 ( 0.000 3.750 17.836) 18.226 25.373 ( 0.000 -2.036 19.591) 19.697 26.074 ( 0.000 1.342 -27.994) 28.026 26.165 ( 0.000 -3.599 -28.195) 28.424 26.330 ( 0.000 5.293 -27.304) 27.812 26.504 ( 0.000 -3.300 -27.165) 27.365 27.028 ( 0.000 0.793 12.122) 12.148 27.060 ( 0.000 -0.651 13.344) 13.359 27.289 ( 0.000 0.485 2.814) 2.855 27.318 ( 0.000 -0.885 0.730) 1.147 27.363 ( 0.000 2.193 7.915) 8.213 27.424 ( 0.000 1.233 3.997) 4.183 27.453 ( 0.000 -1.768 2.946) 3.436 27.469 ( 0.000 -0.825 2.590) 2.718 29.506 ( 0.000 0.896 26.451) 26.466 29.554 ( 0.000 -1.131 28.320) 28.343 30.090 ( 0.000 2.574 22.522) 22.669 30.222 ( 0.000 -3.223 16.816) 17.122 30.333 ( 0.000 0.813 -5.046) 5.111 30.369 ( 0.000 -0.679 -7.102) 7.135 30.613 ( 0.000 -0.077 -5.987) 5.988 30.621 ( 0.000 -0.076 -5.859) 5.859 31.575 ( 0.000 1.552 -7.079) 7.247 31.629 ( 0.000 0.840 -1.386) 1.621 31.670 ( 0.000 -2.880 -10.051) 10.456 31.695 ( 0.000 -2.850 -7.637) 8.151 31.828 ( 0.000 3.893 -15.042) 15.538 31.943 ( 0.000 -1.928 -19.738) 19.832 32.131 ( 0.000 4.626 -24.372) 24.807 32.297 ( 0.000 -2.937 -29.963) 30.107 39.612 ( 0.000 1.756 -1.986) 2.651 39.626 ( 0.000 1.826 -3.178) 3.665 39.704 ( 0.000 -2.268 -1.371) 2.650 39.732 ( 0.000 -3.047 -3.313) 4.501 40.195 ( 0.000 4.227 8.240) 9.261 40.357 ( 0.000 -3.073 8.934) 9.448 40.690 ( 0.000 3.154 -15.144) 15.469 40.824 ( 0.000 -2.788 -9.149) 9.564 41.358 ( 0.000 2.354 6.599) 7.006 41.416 ( 0.000 0.469 5.534) 5.554 41.440 ( 0.000 -0.593 5.644) 5.676 41.471 ( 0.000 -2.561 -0.770) 2.675 41.943 ( 0.000 2.351 10.644) 10.900 42.047 ( 0.000 -2.179 12.959) 13.141 42.061 ( 0.000 6.299 4.421) 7.696 42.355 ( 0.000 -6.550 -2.537) 7.024 ======================= Grid point 148 (54/72) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -5.622 0.778 8.506) 10.226 3.108 ( -6.101 -1.310 8.899) 10.869 3.196 ( -8.093 1.064 12.237) 14.709 3.215 ( -11.100 0.645 8.961) 14.281 3.289 ( 0.322 5.307 21.230) 21.886 3.380 ( -7.730 0.034 -4.602) 8.996 3.530 ( -7.349 -2.891 -2.143) 8.183 3.606 ( -10.956 -1.580 -3.082) 11.490 3.782 ( 3.838 -0.263 11.472) 12.100 3.970 ( 5.593 -11.179 29.405) 31.951 4.655 ( -2.962 4.021 12.122) 13.111 4.710 ( -8.571 6.424 20.705) 23.312 4.756 ( -1.411 5.275 4.838) 7.295 4.852 ( -3.597 4.564 14.347) 15.479 5.056 ( 3.654 4.876 1.202) 6.211 5.107 ( -10.947 -8.833 8.775) 16.578 5.209 ( -6.450 -0.111 4.517) 7.875 5.295 ( -5.495 -2.339 -1.186) 6.089 5.489 ( 7.452 -6.289 0.622) 9.771 5.590 ( -1.795 -3.643 10.449) 11.211 5.761 ( -0.032 1.302 -4.017) 4.223 5.844 ( -0.290 3.470 5.549) 6.551 5.886 ( -4.466 5.164 6.293) 9.285 5.917 ( -0.656 -0.726 0.661) 1.181 5.957 ( -8.514 2.607 20.983) 22.794 6.121 ( 9.983 -2.107 -12.144) 15.862 6.185 ( 3.154 -1.163 -5.410) 6.369 6.217 ( 10.115 -4.528 -4.364) 11.910 6.278 ( 11.010 2.301 -3.722) 11.848 6.331 ( -5.712 0.955 13.313) 14.518 6.392 ( 2.864 -0.256 3.348) 4.413 6.460 ( 2.718 1.184 -6.696) 7.323 6.520 ( 4.701 0.114 0.670) 4.750 6.597 ( 3.631 -1.028 -5.168) 6.399 6.771 ( 7.135 0.486 0.629) 7.179 6.853 ( 14.616 1.104 -7.119) 16.295 6.939 ( 9.489 -1.285 10.876) 14.491 7.039 ( 5.783 -4.949 12.969) 15.038 7.225 ( 0.997 0.862 -21.499) 21.539 7.246 ( -6.966 -0.228 -23.129) 24.156 7.871 ( 0.986 0.327 13.766) 13.805 7.919 ( 0.381 -1.667 7.647) 7.835 8.001 ( -8.619 2.340 -1.779) 9.106 8.059 ( -8.535 -0.351 -4.982) 9.889 8.196 ( 11.918 2.406 2.230) 12.361 8.280 ( 13.348 -1.334 -2.147) 13.585 8.598 ( 8.992 2.797 -7.532) 12.058 8.655 ( 12.108 0.175 -9.553) 15.424 8.866 ( -3.870 -1.027 1.005) 4.128 8.915 ( -3.327 -1.134 -0.657) 3.576 8.922 ( -2.299 -0.445 0.025) 2.342 8.958 ( -4.206 -1.078 0.282) 4.351 9.321 ( 6.496 0.232 -6.833) 9.431 9.379 ( 7.383 -1.307 -5.832) 9.499 9.406 ( 10.375 2.076 -8.514) 13.581 9.470 ( 10.581 -0.076 -8.859) 13.800 10.595 ( -5.361 0.677 21.770) 22.430 10.628 ( -8.419 -0.648 18.461) 20.300 10.703 ( -9.015 1.172 21.408) 23.258 10.755 ( -12.306 -0.993 21.660) 24.932 11.033 ( -0.993 0.623 13.838) 13.888 11.063 ( -0.284 -0.777 9.389) 9.426 11.235 ( -4.239 1.657 17.597) 18.176 11.301 ( -6.529 -1.273 8.186) 10.548 11.820 ( 1.369 0.648 32.008) 32.044 11.877 ( -0.100 -2.221 27.557) 27.647 12.070 ( -2.026 2.782 13.931) 14.350 12.155 ( -3.897 -1.276 8.668) 9.589 12.674 ( -0.783 1.329 -4.645) 4.894 12.707 ( -0.828 1.416 9.563) 9.703 12.767 ( -1.853 -2.665 -4.035) 5.179 12.824 ( -0.636 -4.093 9.304) 10.184 12.870 ( -0.603 1.627 -8.578) 8.752 12.906 ( -0.482 -0.372 -10.755) 10.773 12.998 ( -3.214 4.708 12.737) 13.955 13.134 ( -5.085 -2.246 13.415) 14.521 13.608 ( 0.212 1.328 -24.862) 24.899 13.705 ( -1.299 -3.875 -24.240) 24.583 13.883 ( -3.396 4.309 -24.764) 25.364 13.997 ( -6.595 -1.605 -23.479) 24.440 15.473 ( 1.510 0.351 3.098) 3.464 15.489 ( 2.221 -0.320 2.798) 3.586 15.581 ( 1.377 0.321 2.421) 2.803 15.597 ( 0.405 -0.355 3.104) 3.151 15.738 ( 5.285 0.556 -7.251) 8.990 15.770 ( 4.035 -0.976 -8.550) 9.505 15.877 ( 3.782 1.950 -9.513) 10.421 15.954 ( 1.633 -1.508 -11.685) 11.895 17.564 ( 0.159 0.627 38.405) 38.411 17.599 ( -0.157 -0.930 40.331) 40.343 17.622 ( -0.569 0.216 38.214) 38.218 17.626 ( -0.354 -0.021 39.233) 39.234 18.512 ( 1.099 1.312 -10.642) 10.778 18.585 ( -0.136 -2.228 -10.427) 10.663 18.654 ( -0.731 1.450 -11.712) 11.824 18.694 ( -1.111 -0.641 -12.343) 12.410 19.343 ( 1.419 2.018 24.412) 24.537 19.456 ( -0.012 -3.362 25.006) 25.231 19.617 ( -3.354 2.429 28.313) 28.614 19.688 ( -4.420 -1.131 29.471) 29.822 19.946 ( 1.033 0.068 -2.537) 2.740 19.948 ( 0.500 -0.042 2.140) 2.198 20.055 ( -2.120 1.112 2.440) 3.418 20.104 ( -2.247 -1.064 -5.050) 5.629 20.164 ( 2.493 0.988 1.085) 2.893 20.208 ( 2.502 -0.950 -4.395) 5.145 20.359 ( -1.668 0.105 9.076) 9.229 20.361 ( -1.598 0.058 5.410) 5.642 21.371 ( 0.267 0.310 -48.320) 48.322 21.386 ( -1.905 -0.307 -48.770) 48.808 21.439 ( -2.922 0.074 -46.188) 46.281 21.444 ( -1.206 -0.128 -45.876) 45.892 22.331 ( 0.831 0.235 -0.592) 1.047 22.339 ( 0.501 0.041 1.577) 1.656 22.367 ( 1.517 -0.165 0.440) 1.588 22.383 ( 1.220 -0.644 2.078) 2.494 22.488 ( -0.520 1.398 0.135) 1.498 22.538 ( -1.284 -0.161 1.199) 1.764 22.558 ( -0.377 -0.119 1.120) 1.187 22.584 ( -0.817 -0.567 3.158) 3.311 25.023 ( 4.264 0.920 17.475) 18.011 25.081 ( 1.930 -1.919 17.578) 17.788 25.248 ( -0.348 2.530 17.744) 17.927 25.334 ( -3.453 -1.478 19.205) 19.569 26.116 ( 3.731 1.195 -27.229) 27.509 26.193 ( 2.392 -2.949 -27.958) 28.215 26.326 ( -0.462 4.217 -26.779) 27.113 26.463 ( -3.713 -2.551 -27.433) 27.800 27.045 ( 1.616 0.366 11.999) 12.113 27.063 ( 0.412 -0.443 13.642) 13.656 27.255 ( -2.775 0.232 7.498) 7.999 27.268 ( -3.952 -0.325 6.216) 7.373 27.370 ( 0.956 1.558 4.129) 4.515 27.423 ( 0.654 -0.669 3.535) 3.657 27.489 ( 3.213 0.688 0.046) 3.286 27.532 ( 3.668 -1.039 -1.127) 3.975 29.518 ( 1.268 0.894 25.789) 25.836 29.567 ( 1.271 -1.193 27.905) 27.959 29.963 ( -9.142 1.936 18.886) 21.072 30.060 ( -11.261 -2.284 14.280) 18.329 30.410 ( 4.390 1.040 0.027) 4.512 30.453 ( 5.179 -0.718 -0.188) 5.232 30.613 ( -0.306 0.346 -4.631) 4.654 30.640 ( 1.068 -0.681 -2.027) 2.391 31.577 ( 1.045 1.603 -4.512) 4.901 31.678 ( 2.033 -3.072 -9.347) 10.047 31.700 ( 5.353 0.583 -8.861) 10.369 31.741 ( 1.858 -1.311 -10.530) 10.773 31.863 ( 4.561 2.099 -17.768) 18.464 31.942 ( -0.140 -1.510 -19.849) 19.907 32.121 ( -1.001 4.458 -24.558) 24.979 32.276 ( -1.986 -2.687 -29.923) 30.109 39.650 ( 3.666 1.478 -1.101) 4.103 39.695 ( 6.600 1.339 -3.622) 7.647 39.729 ( 2.516 -1.837 -0.809) 3.219 39.781 ( 4.702 -2.445 -3.616) 6.416 40.150 ( -4.191 3.520 7.048) 8.923 40.285 ( -6.607 -2.598 7.689) 10.466 40.585 ( -9.556 3.057 -13.235) 16.609 40.710 ( -10.150 -2.461 -9.917) 14.402 41.389 ( 3.531 0.268 8.201) 8.933 41.412 ( 0.237 -1.049 6.417) 6.507 41.469 ( 1.576 1.705 4.446) 5.016 41.524 ( 3.768 -0.740 1.126) 4.002 41.992 ( 3.322 0.429 7.387) 8.111 42.040 ( -0.587 -1.316 12.471) 12.554 42.078 ( 2.273 5.919 4.947) 8.042 42.342 ( -1.206 -5.816 -2.302) 6.370 ======================= Grid point 149 (55/72) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -5.263 0.909 4.533) 7.006 2.937 ( -7.304 -0.610 6.881) 10.054 3.077 ( -7.804 -0.128 -0.373) 7.814 3.098 ( -3.531 -1.395 -0.040) 3.797 3.161 ( -7.625 1.655 -1.332) 7.915 3.203 ( -9.222 0.854 -0.797) 9.296 3.328 ( -10.363 0.011 -5.360) 11.667 3.384 ( -11.013 -1.732 -7.632) 13.510 3.945 ( 12.959 0.228 25.602) 28.696 4.124 ( 8.954 -8.727 28.525) 31.145 4.578 ( -0.626 2.011 27.441) 27.522 4.592 ( -6.006 3.825 21.340) 22.497 4.689 ( -4.783 -1.586 23.838) 24.365 4.743 ( -9.133 2.203 17.945) 20.256 4.895 ( -3.220 0.906 5.360) 6.318 5.023 ( -1.962 12.509 13.373) 18.416 5.209 ( -4.775 -6.347 1.912) 8.169 5.297 ( 3.783 -1.098 -1.671) 4.279 5.524 ( -5.773 4.737 11.023) 13.314 5.603 ( -2.662 -2.108 15.463) 15.831 5.691 ( 0.045 -4.880 9.807) 10.954 5.769 ( -5.978 -4.519 10.545) 12.937 5.799 ( 5.752 3.605 0.357) 6.797 5.902 ( 2.888 0.770 7.958) 8.500 6.037 ( 8.950 6.815 -10.161) 15.159 6.164 ( -5.757 -1.620 -4.066) 7.232 6.212 ( -0.161 -3.815 -10.019) 10.721 6.319 ( 5.252 -6.236 -3.193) 8.756 6.379 ( -2.179 -0.400 -12.143) 12.343 6.404 ( 6.837 0.185 -3.350) 7.616 6.421 ( -3.267 1.030 -6.044) 6.947 6.518 ( 1.928 -0.877 3.652) 4.222 6.568 ( 8.736 5.797 -5.672) 11.920 6.744 ( 4.499 -2.943 -12.407) 13.522 6.864 ( -0.549 0.936 -2.507) 2.732 6.942 ( -1.710 -2.756 -12.632) 13.041 7.076 ( -4.160 2.598 -24.909) 25.387 7.203 ( -3.236 -3.531 -20.349) 20.905 7.312 ( 20.990 2.894 5.289) 21.839 7.378 ( 15.825 0.503 -10.624) 19.067 7.818 ( 1.354 -0.044 5.527) 5.691 7.890 ( 1.951 -3.213 6.920) 7.876 7.990 ( 3.925 1.969 11.793) 12.584 8.006 ( 3.348 1.466 10.619) 11.230 8.487 ( 11.121 0.633 9.741) 14.797 8.540 ( 4.989 -2.261 7.816) 9.544 8.669 ( -7.407 1.783 8.984) 11.780 8.699 ( -7.399 0.238 5.238) 9.068 8.821 ( 4.261 1.434 1.835) 4.856 8.888 ( 0.792 -1.761 -0.769) 2.078 8.973 ( 8.665 0.734 -0.924) 8.745 8.993 ( 10.217 -0.372 0.231) 10.226 9.462 ( 6.236 -1.395 -5.884) 8.686 9.505 ( 4.235 -3.073 -3.635) 6.371 9.631 ( 10.468 2.865 -10.300) 14.963 9.676 ( 8.457 0.676 -8.874) 12.277 10.354 ( -16.141 1.691 17.875) 24.144 10.424 ( -17.468 -1.431 20.701) 27.124 10.533 ( 0.095 1.611 17.659) 17.733 10.610 ( -0.308 -1.863 15.833) 15.945 10.997 ( -6.234 0.329 1.110) 6.341 11.000 ( -2.081 0.341 9.731) 9.956 11.104 ( -12.011 0.070 3.248) 12.442 11.116 ( -6.850 -0.318 13.588) 15.220 11.845 ( 1.069 0.209 33.675) 33.693 11.875 ( -0.221 -1.261 31.393) 31.419 12.016 ( -2.680 1.451 16.264) 16.547 12.059 ( -4.868 -0.587 12.552) 13.475 12.673 ( 0.945 0.504 -3.487) 3.648 12.714 ( 0.960 -0.108 2.969) 3.122 12.731 ( -0.371 0.255 2.554) 2.594 12.816 ( -0.063 -2.619 11.150) 11.453 12.864 ( -0.353 0.997 -6.031) 6.123 12.898 ( -0.411 -0.471 -8.542) 8.565 12.931 ( -2.711 2.732 8.942) 9.735 13.015 ( -6.250 -1.491 11.427) 13.110 13.623 ( 1.553 0.722 -25.330) 25.388 13.681 ( -0.616 -2.404 -24.270) 24.397 13.795 ( -4.899 2.363 -24.893) 25.481 13.846 ( -7.444 -0.423 -23.346) 24.508 15.516 ( 2.545 0.343 3.254) 4.145 15.541 ( 2.544 -0.794 3.516) 4.412 15.601 ( 0.071 0.412 3.207) 3.234 15.609 ( 0.891 0.070 3.293) 3.412 15.858 ( 5.887 0.172 -7.433) 9.483 15.862 ( 4.745 0.004 -8.542) 9.772 15.947 ( 2.310 0.591 -8.887) 9.201 15.976 ( 0.077 -0.651 -10.610) 10.630 17.570 ( 0.474 0.477 38.664) 38.670 17.595 ( -0.241 -0.614 40.316) 40.321 17.608 ( -0.663 0.207 38.339) 38.345 17.616 ( -0.587 -0.160 39.504) 39.508 18.540 ( 1.484 0.782 -11.265) 11.389 18.581 ( -0.396 -1.139 -10.725) 10.793 18.640 ( -0.436 0.871 -11.397) 11.438 18.667 ( -1.421 -0.429 -11.531) 11.627 19.382 ( 2.378 1.250 24.002) 24.151 19.452 ( -0.388 -2.041 24.521) 24.609 19.546 ( -3.151 1.363 28.589) 28.794 19.589 ( -4.771 -0.792 29.166) 29.565 19.961 ( 0.803 0.125 1.745) 1.925 19.973 ( 1.444 -0.496 -2.823) 3.209 20.018 ( -1.351 1.167 1.411) 2.276 20.061 ( -2.059 -0.855 -4.438) 4.967 20.214 ( 2.490 0.927 3.753) 4.598 20.254 ( 2.013 -0.830 -2.327) 3.186 20.316 ( -2.456 0.298 7.776) 8.160 20.326 ( -1.754 -0.126 2.108) 2.745 21.339 ( -2.142 0.003 -49.020) 49.067 21.353 ( -2.436 -0.791 -47.878) 47.946 21.399 ( -0.278 0.955 -47.589) 47.599 21.420 ( -1.068 -0.204 -46.773) 46.786 22.355 ( 1.430 0.122 0.120) 1.441 22.360 ( 1.393 0.004 1.555) 2.088 22.393 ( 0.753 0.007 0.822) 1.115 22.406 ( 0.593 -0.143 1.181) 1.329 22.480 ( 0.128 0.388 0.931) 1.016 22.513 ( -0.891 -0.572 1.017) 1.468 22.544 ( -0.883 0.297 1.304) 1.603 22.561 ( -1.359 -0.070 2.369) 2.732 25.121 ( 4.931 0.091 17.527) 18.207 25.128 ( 2.569 -0.187 17.911) 18.095 25.238 ( -0.809 0.433 17.717) 17.740 25.256 ( -3.878 -0.335 18.708) 19.108 26.200 ( 4.128 0.742 -25.529) 25.872 26.243 ( 2.364 -1.501 -27.296) 27.440 26.311 ( -1.073 2.045 -26.237) 26.339 26.377 ( -4.359 -1.204 -28.152) 28.513 27.081 ( 1.517 -0.049 13.848) 13.931 27.087 ( 2.353 -0.292 11.737) 11.974 27.191 ( -3.460 0.195 11.082) 11.611 27.197 ( -2.834 -0.070 10.846) 11.211 27.397 ( 1.590 0.910 1.865) 2.614 27.436 ( 0.221 -0.786 1.967) 2.130 27.553 ( 2.843 0.830 -2.806) 4.080 27.586 ( 1.577 -0.612 -4.107) 4.442 29.563 ( 3.415 0.554 24.267) 24.512 29.604 ( 2.408 -1.192 26.543) 26.679 29.796 ( -7.034 1.174 20.735) 21.927 29.842 ( -9.797 -0.842 18.355) 20.823 30.495 ( 4.191 0.731 1.997) 4.700 30.530 ( 2.620 -0.720 2.803) 3.904 30.601 ( -0.996 0.673 -0.598) 1.343 30.634 ( -1.733 -0.754 2.653) 3.257 31.619 ( 2.879 1.942 -5.850) 6.803 31.730 ( -1.046 0.650 -11.015) 11.083 31.740 ( 3.071 -2.824 -11.536) 12.267 31.813 ( 3.644 -2.164 -14.519) 15.125 31.945 ( 1.262 1.392 -20.533) 20.619 31.992 ( 6.621 -1.021 -23.387) 24.328 32.090 ( -1.840 4.182 -25.582) 25.987 32.220 ( -3.542 -2.093 -29.883) 30.165 39.752 ( 6.286 0.750 1.534) 6.513 39.793 ( 4.024 -1.072 1.469) 4.416 39.878 ( 10.549 0.577 -4.371) 11.433 39.910 ( 7.906 -0.996 -3.901) 8.872 40.047 ( -5.501 1.992 3.990) 7.082 40.124 ( -8.749 -1.543 4.733) 10.066 40.364 ( -11.115 2.372 -11.051) 15.852 40.466 ( -13.269 -2.111 -11.126) 17.445 41.452 ( 3.232 0.285 7.301) 7.989 41.464 ( 2.874 -0.017 8.124) 8.617 41.488 ( 1.113 1.940 5.416) 5.860 41.566 ( -0.049 -1.357 3.253) 3.525 42.016 ( -0.324 0.017 7.499) 7.506 42.030 ( -0.458 -0.451 9.667) 9.688 42.165 ( 5.309 2.772 3.156) 6.770 42.311 ( -1.926 -3.562 -1.318) 4.258 ======================= Grid point 150 (56/72) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -4.606 0.645 0.234) 4.657 2.902 ( 4.606 0.645 0.234) 4.657 2.937 ( -8.360 -0.778 -1.199) 8.481 2.937 ( 8.360 -0.778 -1.199) 8.481 3.153 ( -3.590 0.038 -5.400) 6.484 3.153 ( 3.590 0.038 -5.400) 6.484 3.199 ( -5.415 0.096 -6.016) 8.094 3.199 ( 5.415 0.096 -6.016) 8.094 4.205 ( -7.074 -6.043 27.766) 29.283 4.205 ( 7.074 -6.043 27.766) 29.283 4.486 ( -3.466 2.003 19.356) 19.766 4.486 ( 3.466 2.003 19.356) 19.766 4.695 ( -3.764 0.287 34.241) 34.449 4.695 ( 3.764 0.287 34.241) 34.449 4.900 ( -5.060 5.172 15.035) 16.685 4.900 ( 5.060 5.172 15.035) 16.685 5.231 ( -6.683 3.471 0.854) 7.579 5.231 ( 6.683 3.471 0.854) 7.579 5.495 ( -4.259 0.750 15.236) 15.838 5.495 ( 4.259 0.750 15.236) 15.838 5.738 ( -4.742 -6.983 2.544) 8.816 5.738 ( 4.742 -6.983 2.544) 8.816 5.969 ( -9.066 2.886 -2.568) 9.855 5.969 ( 9.066 2.886 -2.568) 9.855 6.064 ( -11.430 -2.228 1.975) 11.811 6.064 ( 11.430 -2.228 1.975) 11.811 6.253 ( -8.687 4.777 -8.865) 13.299 6.253 ( 8.687 4.777 -8.865) 13.299 6.392 ( -1.334 -5.357 -11.612) 12.857 6.392 ( 1.334 -5.357 -11.612) 12.857 6.517 ( -2.956 -1.434 0.388) 3.308 6.517 ( 2.956 -1.434 0.388) 3.308 6.725 ( -7.623 4.094 -9.590) 12.917 6.725 ( 7.623 4.094 -9.590) 12.917 6.855 ( -6.041 -1.593 -15.528) 16.738 6.855 ( 6.041 -1.593 -15.528) 16.738 7.121 ( -4.680 -1.105 -18.578) 19.190 7.121 ( 4.680 -1.105 -18.578) 19.190 7.488 ( -0.784 1.394 -17.426) 17.499 7.488 ( 0.784 1.394 -17.426) 17.499 7.971 ( -1.970 -1.962 13.643) 13.923 7.971 ( 1.970 -1.962 13.643) 13.923 8.107 ( -7.925 3.458 11.185) 14.138 8.107 ( 7.925 3.458 11.185) 14.138 8.448 ( -7.975 -3.454 23.354) 24.919 8.448 ( 7.975 -3.454 23.354) 24.919 8.619 ( -0.960 0.805 7.483) 7.587 8.619 ( 0.960 0.805 7.483) 7.587 8.880 ( -2.063 1.536 -0.300) 2.589 8.880 ( 2.063 1.536 -0.300) 2.589 9.164 ( -2.025 0.268 -1.607) 2.599 9.164 ( 2.025 0.268 -1.607) 2.599 9.536 ( -1.049 -2.921 -3.207) 4.463 9.536 ( 1.049 -2.921 -3.207) 4.463 9.755 ( -0.896 1.692 -8.587) 8.798 9.755 ( 0.896 1.692 -8.587) 8.798 10.167 ( -2.494 0.387 21.208) 21.357 10.167 ( 2.494 0.387 21.208) 21.357 10.617 ( -3.323 -0.270 16.866) 17.193 10.617 ( 3.323 -0.270 16.866) 17.193 10.900 ( -1.893 0.148 -6.376) 6.652 10.900 ( 1.893 0.148 -6.376) 6.652 11.012 ( -2.493 0.048 10.140) 10.443 11.012 ( 2.493 0.048 10.140) 10.443 11.864 ( -0.840 -0.434 33.471) 33.484 11.864 ( 0.840 -0.434 33.471) 33.484 11.994 ( -1.056 0.293 16.969) 17.005 11.994 ( 1.056 0.293 16.969) 17.005 12.699 ( -1.221 -0.592 -4.141) 4.358 12.699 ( 1.221 -0.592 -4.141) 4.358 12.786 ( -3.482 1.394 8.514) 9.304 12.786 ( 3.482 1.394 8.514) 9.304 12.878 ( -2.144 -1.344 -1.486) 2.935 12.878 ( 2.144 -1.344 -1.486) 2.935 12.919 ( -1.794 0.494 6.675) 6.930 12.919 ( 1.794 0.494 6.675) 6.930 13.670 ( -2.305 -0.440 -25.816) 25.922 13.670 ( 2.305 -0.440 -25.816) 25.922 13.739 ( -1.907 0.573 -23.163) 23.249 13.739 ( 1.907 0.573 -23.163) 23.249 15.559 ( -1.184 -0.543 3.122) 3.383 15.559 ( 1.184 -0.543 3.122) 3.383 15.609 ( -0.801 0.594 3.946) 4.070 15.609 ( 0.801 0.594 3.946) 4.070 15.937 ( -0.645 -0.336 -9.358) 9.387 15.937 ( 0.645 -0.336 -9.358) 9.387 15.954 ( -0.177 0.375 -8.004) 8.015 15.954 ( 0.177 0.375 -8.004) 8.015 17.583 ( -0.788 0.216 39.071) 39.080 17.583 ( 0.788 0.216 39.071) 39.080 17.606 ( -0.359 -0.257 39.512) 39.514 17.606 ( 0.359 -0.257 39.512) 39.514 18.566 ( -1.070 0.085 -11.240) 11.291 18.566 ( 1.070 0.085 -11.240) 11.291 18.644 ( -0.763 0.011 -11.244) 11.270 18.644 ( 0.763 0.011 -11.244) 11.270 19.430 ( -2.081 0.092 23.959) 24.050 19.430 ( 2.081 0.092 23.959) 24.050 19.522 ( -1.373 -0.227 28.821) 28.855 19.522 ( 1.373 -0.227 28.821) 28.855 19.979 ( -0.841 0.093 0.690) 1.092 19.979 ( 0.841 0.093 0.690) 1.092 20.022 ( -1.701 -0.158 -2.766) 3.251 20.022 ( 1.701 -0.158 -2.766) 3.251 20.264 ( -2.431 0.533 6.587) 7.042 20.264 ( 2.431 0.533 6.587) 7.042 20.292 ( -1.574 -0.399 -1.097) 1.960 20.292 ( 1.574 -0.399 -1.097) 1.960 21.319 ( -0.393 -0.247 -48.525) 48.527 21.319 ( 0.393 -0.247 -48.525) 48.527 21.404 ( -0.571 0.234 -47.567) 47.571 21.404 ( 0.571 0.234 -47.567) 47.571 22.379 ( -0.401 -0.281 0.805) 0.942 22.379 ( 0.401 -0.281 0.805) 0.942 22.399 ( -0.687 0.657 1.082) 1.440 22.399 ( 0.687 0.657 1.082) 1.440 22.497 ( -1.133 -1.068 1.294) 2.024 22.497 ( 1.133 -1.068 1.294) 2.024 22.537 ( -0.639 0.714 1.485) 1.768 22.537 ( 0.639 0.714 1.485) 1.768 25.180 ( -2.123 -0.098 18.470) 18.592 25.180 ( 2.123 -0.098 18.470) 18.592 25.207 ( -1.880 0.088 17.588) 17.688 25.207 ( 1.880 0.088 17.588) 17.688 26.264 ( -1.796 0.213 -23.332) 23.402 26.264 ( 1.796 0.213 -23.332) 23.402 26.306 ( -2.275 -0.158 -29.777) 29.865 26.306 ( 2.275 -0.158 -29.777) 29.865 27.118 ( -1.262 -0.424 12.883) 12.951 27.118 ( 1.262 -0.424 12.883) 12.951 27.149 ( -1.182 0.372 11.938) 12.002 27.149 ( 1.182 0.372 11.938) 12.002 27.426 ( -1.107 -0.059 1.325) 1.727 27.426 ( 1.107 -0.059 1.325) 1.727 27.593 ( -0.931 0.139 -4.403) 4.503 27.593 ( 0.931 0.139 -4.403) 4.503 29.642 ( -1.794 -1.331 23.365) 23.471 29.642 ( 1.794 -1.331 23.365) 23.471 29.704 ( -0.551 1.282 22.601) 22.644 29.704 ( 0.551 1.282 22.601) 22.644 30.564 ( -0.458 -0.458 0.661) 0.925 30.564 ( 0.458 -0.458 0.661) 0.925 30.585 ( -1.565 0.360 5.300) 5.539 30.585 ( 1.565 0.360 5.300) 5.539 31.681 ( -3.029 2.084 -8.447) 9.212 31.681 ( 3.029 2.084 -8.447) 9.212 31.811 ( -2.825 -4.292 -14.590) 15.468 31.811 ( 2.825 -4.292 -14.590) 15.468 32.009 ( -3.790 3.374 -22.268) 22.839 32.009 ( 3.790 3.374 -22.268) 22.839 32.134 ( -5.031 -1.129 -29.444) 29.892 32.134 ( 5.031 -1.129 -29.444) 29.892 39.855 ( -0.607 0.035 5.412) 5.446 39.855 ( 0.607 0.035 5.412) 5.446 39.982 ( -2.535 -0.043 0.245) 2.547 39.982 ( 2.535 -0.043 0.245) 2.547 40.041 ( -1.828 0.269 -1.693) 2.506 40.041 ( 1.828 0.269 -1.693) 2.506 40.239 ( -4.875 -0.245 -13.626) 14.474 40.239 ( 4.875 -0.245 -13.626) 14.474 41.492 ( -0.212 0.268 6.303) 6.312 41.492 ( 0.212 0.268 6.303) 6.312 41.531 ( -2.907 0.406 6.363) 7.008 41.531 ( 2.907 0.406 6.363) 7.008 42.017 ( -0.564 -0.441 8.477) 8.507 42.017 ( 0.564 -0.441 8.477) 8.507 42.257 ( -3.650 -0.419 0.526) 3.711 42.257 ( 3.650 -0.419 0.526) 3.711 ======================= Grid point 154 (57/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 0.000 -1.554 11.695) 11.798 3.130 ( 0.000 1.554 11.695) 11.798 3.394 ( 0.000 -5.258 14.047) 14.999 3.394 ( 0.000 5.258 14.047) 14.999 3.394 ( 0.000 -5.733 10.127) 11.637 3.394 ( 0.000 5.733 10.127) 11.637 3.609 ( 0.000 -8.801 7.631) 11.649 3.609 ( 0.000 8.801 7.631) 11.649 3.750 ( 0.000 -3.198 14.204) 14.560 3.750 ( 0.000 3.198 14.204) 14.560 4.814 ( 0.000 -8.582 -9.512) 12.811 4.814 ( 0.000 8.582 -9.512) 12.811 4.940 ( 0.000 -6.618 25.169) 26.024 4.940 ( 0.000 6.618 25.169) 26.024 5.055 ( 0.000 -9.829 3.440) 10.413 5.055 ( 0.000 9.829 3.440) 10.413 5.243 ( 0.000 -5.955 3.387) 6.851 5.243 ( 0.000 5.955 3.387) 6.851 5.611 ( 0.000 -7.090 3.752) 8.022 5.611 ( 0.000 7.090 3.752) 8.022 5.820 ( 0.000 -1.275 -9.191) 9.279 5.820 ( 0.000 1.275 -9.191) 9.279 5.827 ( 0.000 -5.122 -0.173) 5.125 5.827 ( 0.000 5.122 -0.173) 5.125 6.020 ( 0.000 -2.680 -0.374) 2.706 6.020 ( 0.000 2.680 -0.374) 2.706 6.099 ( 0.000 -3.404 10.008) 10.572 6.099 ( 0.000 3.404 10.008) 10.572 6.213 ( 0.000 -5.937 -2.217) 6.338 6.213 ( 0.000 5.937 -2.217) 6.338 6.497 ( 0.000 -3.024 25.295) 25.475 6.497 ( 0.000 3.024 25.295) 25.475 6.641 ( 0.000 -8.005 -9.376) 12.328 6.641 ( 0.000 8.005 -9.376) 12.328 6.661 ( 0.000 -6.077 -4.596) 7.619 6.661 ( 0.000 6.077 -4.596) 7.619 6.792 ( 0.000 -6.373 14.453) 15.796 6.792 ( 0.000 6.373 14.453) 15.796 7.268 ( 0.000 -4.105 -20.744) 21.146 7.268 ( 0.000 4.105 -20.744) 21.146 7.893 ( 0.000 -2.633 20.220) 20.391 7.893 ( 0.000 2.633 20.220) 20.391 8.025 ( 0.000 -2.172 -6.879) 7.213 8.025 ( 0.000 2.172 -6.879) 7.213 8.304 ( 0.000 -2.633 -3.146) 4.102 8.304 ( 0.000 2.633 -3.146) 4.102 8.434 ( 0.000 -3.032 -23.938) 24.129 8.434 ( 0.000 3.032 -23.938) 24.129 8.948 ( 0.000 -2.357 -0.753) 2.474 8.948 ( 0.000 2.357 -0.753) 2.474 8.955 ( 0.000 -4.109 -1.470) 4.364 8.955 ( 0.000 4.109 -1.470) 4.364 9.285 ( 0.000 -1.127 -4.148) 4.299 9.285 ( 0.000 1.127 -4.148) 4.299 9.306 ( 0.000 -2.209 -8.997) 9.264 9.306 ( 0.000 2.209 -8.997) 9.264 10.682 ( 0.000 -1.964 22.200) 22.287 10.682 ( 0.000 1.964 22.200) 22.287 10.859 ( 0.000 -1.858 21.898) 21.977 10.859 ( 0.000 1.858 21.898) 21.977 11.043 ( 0.000 -0.162 13.682) 13.683 11.043 ( 0.000 0.162 13.682) 13.683 11.322 ( 0.000 -2.630 15.820) 16.037 11.322 ( 0.000 2.630 15.820) 16.037 11.830 ( 0.000 -2.149 28.154) 28.236 11.830 ( 0.000 2.149 28.154) 28.236 12.153 ( 0.000 -3.106 10.187) 10.650 12.153 ( 0.000 3.106 10.187) 10.650 12.726 ( 0.000 -2.861 -7.108) 7.662 12.726 ( 0.000 2.861 -7.108) 7.662 12.765 ( 0.000 -3.123 11.832) 12.237 12.765 ( 0.000 3.123 11.832) 12.237 12.902 ( 0.000 -0.824 -12.144) 12.172 12.902 ( 0.000 0.824 -12.144) 12.172 13.127 ( 0.000 -4.433 14.867) 15.514 13.127 ( 0.000 4.433 14.867) 15.514 13.649 ( 0.000 -3.146 -24.518) 24.719 13.649 ( 0.000 3.146 -24.518) 24.719 14.009 ( 0.000 -4.312 -23.955) 24.340 14.009 ( 0.000 4.312 -23.955) 24.340 15.462 ( 0.000 -0.173 2.518) 2.524 15.462 ( 0.000 0.173 2.518) 2.524 15.579 ( 0.000 -0.780 2.798) 2.905 15.579 ( 0.000 0.780 2.798) 2.905 15.696 ( 0.000 -1.249 -7.992) 8.089 15.696 ( 0.000 1.249 -7.992) 8.089 15.888 ( 0.000 -2.963 -11.027) 11.418 15.888 ( 0.000 2.963 -11.027) 11.418 17.580 ( 0.000 -1.141 39.487) 39.503 17.580 ( 0.000 1.141 39.487) 39.503 17.630 ( 0.000 -0.042 38.421) 38.421 17.630 ( 0.000 0.042 38.421) 38.421 18.539 ( 0.000 -2.529 -10.149) 10.459 18.539 ( 0.000 2.529 -10.149) 10.459 18.688 ( 0.000 -1.217 -12.586) 12.644 18.688 ( 0.000 1.217 -12.586) 12.644 19.385 ( 0.000 -3.737 24.862) 25.141 19.385 ( 0.000 3.737 24.862) 25.141 19.704 ( 0.000 -2.376 29.167) 29.264 19.704 ( 0.000 2.376 29.167) 29.264 19.940 ( 0.000 -0.263 0.243) 0.358 19.940 ( 0.000 0.263 0.243) 0.358 20.117 ( 0.000 -1.732 2.196) 2.797 20.117 ( 0.000 1.732 2.196) 2.797 20.144 ( 0.000 -1.158 -6.267) 6.373 20.144 ( 0.000 1.158 -6.267) 6.373 20.379 ( 0.000 -0.052 7.955) 7.955 20.379 ( 0.000 0.052 7.955) 7.955 21.385 ( 0.000 -1.173 -48.195) 48.209 21.385 ( 0.000 1.173 -48.195) 48.209 21.466 ( 0.000 -0.422 -45.796) 45.798 21.466 ( 0.000 0.422 -45.796) 45.798 22.332 ( 0.000 -0.612 -0.966) 1.144 22.332 ( 0.000 0.612 -0.966) 1.144 22.354 ( 0.000 -0.865 2.619) 2.758 22.354 ( 0.000 0.865 2.619) 2.758 22.528 ( 0.000 -1.973 -0.176) 1.981 22.528 ( 0.000 1.973 -0.176) 1.981 22.575 ( 0.000 -1.122 3.006) 3.208 22.575 ( 0.000 1.122 3.006) 3.208 25.010 ( 0.000 -2.411 17.465) 17.631 25.010 ( 0.000 2.411 17.465) 17.631 25.321 ( 0.000 -3.516 18.801) 19.127 25.321 ( 0.000 3.516 18.801) 19.127 26.109 ( 0.000 -2.526 -28.229) 28.342 26.109 ( 0.000 2.526 -28.229) 28.342 26.426 ( 0.000 -5.053 -26.764) 27.237 26.426 ( 0.000 5.053 -26.764) 27.237 27.045 ( 0.000 -0.963 12.408) 12.446 27.045 ( 0.000 0.964 12.408) 12.446 27.301 ( 0.000 -0.862 2.064) 2.237 27.301 ( 0.000 0.862 2.064) 2.237 27.410 ( 0.000 -2.774 5.358) 6.034 27.410 ( 0.000 2.774 5.358) 6.034 27.448 ( 0.000 -1.349 2.993) 3.283 27.448 ( 0.000 1.349 2.993) 3.283 29.529 ( 0.000 -1.485 27.536) 27.576 29.529 ( 0.000 1.485 27.536) 27.576 30.152 ( 0.000 -4.033 19.997) 20.400 30.152 ( 0.000 4.033 19.997) 20.400 30.351 ( 0.000 -1.119 -5.685) 5.794 30.351 ( 0.000 1.119 -5.685) 5.794 30.616 ( 0.000 -0.355 -6.378) 6.388 30.616 ( 0.000 0.355 -6.378) 6.388 31.615 ( 0.000 -2.791 -8.421) 8.871 31.615 ( 0.000 2.791 -8.421) 8.871 31.653 ( 0.000 -1.812 -3.941) 4.338 31.653 ( 0.000 1.812 -3.941) 4.338 31.894 ( 0.000 -3.322 -17.891) 18.197 31.894 ( 0.000 3.322 -17.891) 18.197 32.223 ( 0.000 -4.979 -27.564) 28.010 32.223 ( 0.000 4.979 -27.564) 28.010 39.655 ( 0.000 -2.783 -1.757) 3.291 39.655 ( 0.000 2.783 -1.757) 3.291 39.673 ( 0.000 -3.166 -3.120) 4.445 39.673 ( 0.000 3.166 -3.120) 4.445 40.283 ( 0.000 -4.878 8.451) 9.757 40.283 ( 0.000 4.878 8.451) 9.757 40.759 ( 0.000 -4.085 -11.986) 12.664 40.759 ( 0.000 4.085 -11.986) 12.664 41.413 ( 0.000 -3.465 2.803) 4.456 41.413 ( 0.000 3.465 2.803) 4.456 41.427 ( 0.000 -0.733 5.599) 5.646 41.427 ( 0.000 0.733 5.599) 5.646 41.996 ( 0.000 -3.181 11.791) 12.213 41.996 ( 0.000 3.181 11.791) 12.213 42.206 ( 0.000 -9.000 1.246) 9.086 42.206 ( 0.000 9.000 1.246) 9.086 ======================= Grid point 156 (58/72) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( -6.220 -1.469 8.775) 10.856 3.082 ( -6.220 1.469 8.775) 10.856 3.215 ( -9.887 -0.682 10.803) 14.660 3.215 ( -9.887 0.682 10.803) 14.660 3.370 ( -4.896 -1.989 3.874) 6.552 3.370 ( -4.896 1.989 3.874) 6.552 3.537 ( -8.472 -4.319 1.863) 9.690 3.537 ( -8.472 4.319 1.863) 9.690 3.814 ( 6.283 -4.781 21.238) 22.658 3.814 ( 6.283 4.781 21.238) 22.658 4.735 ( -6.676 -4.499 14.478) 16.565 4.735 ( -6.676 4.499 14.478) 16.565 4.877 ( -6.877 -8.712 9.971) 14.921 4.877 ( -6.877 8.712 9.971) 14.921 5.032 ( -1.013 -8.376 3.531) 9.146 5.032 ( -1.013 8.376 3.531) 9.146 5.268 ( 0.925 -9.068 1.684) 9.270 5.268 ( 0.925 9.068 1.684) 9.270 5.458 ( -2.842 -7.185 6.814) 10.301 5.458 ( -2.842 7.185 6.814) 10.302 5.820 ( 1.825 -3.724 2.746) 4.973 5.820 ( 1.825 3.724 2.746) 4.973 5.961 ( -8.010 -0.668 15.533) 17.489 5.961 ( -8.010 0.668 15.533) 17.489 6.028 ( 5.424 -7.000 -4.481) 9.925 6.028 ( 5.424 7.000 -4.481) 9.925 6.160 ( 6.827 -0.617 -9.908) 12.048 6.160 ( 6.827 0.617 -9.908) 12.048 6.327 ( -0.931 -2.500 6.385) 6.920 6.327 ( -0.931 2.500 6.385) 6.920 6.443 ( 10.045 -4.928 2.937) 11.568 6.443 ( 10.045 4.928 2.937) 11.568 6.536 ( -2.057 -3.423 -9.873) 10.650 6.536 ( -2.057 3.423 -9.873) 10.650 6.828 ( 7.653 -4.003 -3.773) 9.425 6.828 ( 7.653 4.003 -3.773) 9.425 6.955 ( 13.822 -3.337 14.964) 20.643 6.955 ( 13.822 3.337 14.964) 20.643 7.239 ( -3.416 -0.556 -22.452) 22.718 7.239 ( -3.416 0.556 -22.452) 22.718 7.888 ( -0.783 -1.505 8.817) 8.978 7.888 ( -0.783 1.505 8.817) 8.978 8.041 ( -6.223 -1.720 -0.074) 6.457 8.041 ( -6.223 1.720 -0.074) 6.457 8.244 ( 11.202 -2.535 -1.597) 11.596 8.244 ( 11.202 2.535 -1.597) 11.596 8.644 ( 10.885 -1.706 -9.687) 14.671 8.644 ( 10.885 1.706 -9.687) 14.671 8.872 ( -4.898 -1.835 0.729) 5.281 8.872 ( -4.898 1.835 0.729) 5.281 8.937 ( -1.675 -1.033 0.562) 2.046 8.937 ( -1.675 1.033 0.562) 2.046 9.342 ( 5.925 -1.893 -5.069) 8.024 9.342 ( 5.925 1.893 -5.069) 8.024 9.451 ( 10.923 -1.977 -9.882) 14.862 9.451 ( 10.923 1.977 -9.882) 14.862 10.611 ( -5.972 -1.047 20.127) 21.020 10.611 ( -5.972 1.047 20.127) 21.020 10.730 ( -11.643 -1.628 21.652) 24.638 10.730 ( -11.643 1.628 21.652) 24.638 11.047 ( -0.478 -0.927 11.798) 11.844 11.047 ( -0.478 0.927 11.798) 11.844 11.270 ( -5.508 -1.988 12.588) 13.884 11.270 ( -5.508 1.988 12.588) 13.884 11.840 ( 0.805 -1.652 30.134) 30.190 11.840 ( 0.805 1.652 30.134) 30.190 12.120 ( -3.155 -2.505 10.967) 11.683 12.120 ( -3.155 2.505 10.967) 11.683 12.707 ( -1.470 -2.068 -2.835) 3.804 12.707 ( -1.470 2.068 -2.835) 3.804 12.760 ( -0.262 -2.680 8.231) 8.661 12.760 ( -0.262 2.680 8.231) 8.661 12.894 ( -0.601 -0.959 -10.264) 10.327 12.894 ( -0.601 0.959 -10.264) 10.327 13.078 ( -4.405 -3.884 13.272) 14.513 13.078 ( -4.405 3.884 13.272) 14.513 13.644 ( -0.370 -2.730 -24.628) 24.781 13.644 ( -0.370 2.730 -24.628) 24.781 13.953 ( -5.128 -3.233 -24.045) 24.798 13.953 ( -5.128 3.233 -24.045) 24.798 15.481 ( 1.856 -0.477 2.974) 3.538 15.481 ( 1.856 0.477 2.974) 3.538 15.589 ( 0.901 -0.476 2.722) 2.906 15.589 ( 0.901 0.476 2.722) 2.906 15.752 ( 4.901 -0.941 -7.728) 9.199 15.752 ( 4.901 0.941 -7.728) 9.199 15.918 ( 2.513 -2.298 -10.762) 11.288 15.918 ( 2.513 2.298 -10.762) 11.288 17.580 ( 0.020 -1.042 39.564) 39.578 17.580 ( 0.020 1.042 39.564) 39.578 17.625 ( -0.475 -0.110 38.494) 38.497 17.625 ( -0.475 0.110 38.494) 38.497 18.545 ( 0.554 -2.139 -10.361) 10.594 18.545 ( 0.554 2.139 -10.361) 10.594 18.678 ( -0.949 -1.114 -12.240) 12.328 18.678 ( -0.949 1.114 -12.240) 12.328 19.393 ( 0.775 -3.321 24.537) 24.773 19.393 ( 0.775 3.321 24.537) 24.773 19.659 ( -4.017 -2.031 29.334) 29.677 19.659 ( -4.017 2.031 29.334) 29.677 19.947 ( 0.686 -0.093 0.071) 0.696 19.947 ( 0.686 0.093 0.071) 0.696 20.080 ( -2.141 -1.509 -1.395) 2.968 20.080 ( -2.141 1.509 -1.395) 2.968 20.186 ( 2.534 -1.355 -1.795) 3.388 20.186 ( 2.534 1.355 -1.795) 3.388 20.361 ( -1.631 -0.041 7.006) 7.193 20.361 ( -1.631 0.041 7.006) 7.193 21.378 ( -0.933 -0.438 -48.520) 48.531 21.378 ( -0.933 0.438 -48.520) 48.531 21.441 ( -1.948 -0.155 -46.061) 46.102 21.441 ( -1.948 0.155 -46.061) 46.102 22.337 ( 0.658 -0.302 0.091) 0.730 22.337 ( 0.658 0.302 0.091) 0.730 22.371 ( 1.409 -0.568 1.651) 2.244 22.371 ( 1.409 0.568 1.651) 2.244 22.517 ( -0.988 -1.669 0.163) 1.946 22.517 ( -0.988 1.669 0.163) 1.946 22.569 ( -0.540 -0.939 2.655) 2.867 22.569 ( -0.540 0.939 2.655) 2.867 25.047 ( 3.354 -1.699 17.448) 17.848 25.047 ( 3.354 1.699 17.448) 17.848 25.296 ( -2.173 -2.525 18.548) 18.845 25.296 ( -2.173 2.525 18.548) 18.845 26.146 ( 3.268 -2.163 -27.591) 27.868 26.146 ( 3.268 2.163 -27.591) 27.868 26.402 ( -2.224 -4.000 -26.880) 27.267 26.402 ( -2.224 4.000 -26.880) 27.267 27.054 ( 0.924 -0.558 12.620) 12.666 27.054 ( 0.924 0.558 12.620) 12.666 27.261 ( -3.311 -0.378 6.907) 7.669 27.261 ( -3.311 0.378 6.907) 7.669 27.402 ( 0.441 -1.646 3.300) 3.714 27.402 ( 0.441 1.646 3.300) 3.714 27.509 ( 3.753 -1.367 -0.162) 3.997 27.509 ( 3.753 1.367 -0.162) 3.997 29.541 ( 1.228 -1.522 26.998) 27.069 29.541 ( 1.228 1.522 26.998) 27.069 30.010 ( -10.107 -2.939 16.737) 19.771 30.010 ( -10.107 2.939 16.737) 19.771 30.433 ( 4.808 -1.358 0.441) 5.015 30.433 ( 4.808 1.358 0.441) 5.015 30.625 ( 0.409 -0.867 -3.846) 3.964 30.625 ( 0.409 0.867 -3.846) 3.964 31.619 ( 1.399 -2.965 -6.608) 7.377 31.619 ( 1.399 2.965 -6.608) 7.377 31.717 ( 4.421 -1.204 -9.724) 10.750 31.717 ( 4.421 1.204 -9.724) 10.750 31.905 ( 1.436 -2.348 -18.737) 18.938 31.905 ( 1.436 2.348 -18.737) 18.938 32.208 ( -1.451 -4.640 -27.700) 28.123 32.208 ( -1.451 4.640 -27.700) 28.123 39.686 ( 3.033 -2.301 -0.945) 3.922 39.686 ( 3.033 2.301 -0.945) 3.922 39.734 ( 5.856 -2.439 -3.600) 7.294 39.734 ( 5.856 2.439 -3.600) 7.294 40.223 ( -5.509 -4.048 7.282) 9.989 40.223 ( -5.509 4.048 7.282) 9.989 40.651 ( -9.886 -3.812 -11.539) 15.666 40.651 ( -9.886 3.812 -11.539) 15.666 41.396 ( 1.781 -0.620 7.318) 7.558 41.396 ( 1.781 0.620 7.318) 7.558 41.501 ( 3.000 -1.683 2.640) 4.336 41.501 ( 3.000 1.683 2.640) 4.336 42.012 ( 1.174 -1.530 10.050) 10.233 42.012 ( 1.174 1.530 10.050) 10.233 42.210 ( 0.538 -8.010 1.576) 8.181 42.210 ( 0.538 8.010 1.576) 8.181 ======================= Grid point 158 (59/72) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -5.966 -1.228 5.660) 8.315 2.919 ( -5.966 1.228 5.660) 8.315 3.079 ( -6.443 -0.502 -0.030) 6.462 3.079 ( -6.443 0.502 -0.030) 6.462 3.195 ( -8.959 -1.636 -1.372) 9.210 3.195 ( -8.959 1.636 -1.372) 9.210 3.347 ( -9.736 -1.971 -6.250) 11.736 3.347 ( -9.736 1.971 -6.250) 11.736 3.989 ( 10.720 -5.124 27.553) 30.005 3.989 ( 10.720 5.124 27.553) 30.005 4.618 ( -4.778 -2.224 28.095) 28.585 4.618 ( -4.778 2.224 28.095) 28.585 4.709 ( -7.541 -4.288 20.453) 22.217 4.709 ( -7.541 4.288 20.453) 22.217 5.017 ( -1.363 -10.011 -3.515) 10.697 5.017 ( -1.363 10.011 -3.515) 10.697 5.246 ( 0.245 -7.606 9.984) 12.553 5.246 ( 0.245 7.606 9.984) 12.553 5.562 ( 3.879 -1.697 8.870) 9.829 5.562 ( 3.879 1.697 8.870) 9.829 5.681 ( -7.911 -4.153 12.927) 15.714 5.681 ( -7.911 4.153 12.927) 15.714 5.891 ( 0.664 -4.382 7.059) 8.334 5.891 ( 0.664 4.382 7.059) 8.334 6.122 ( 2.173 -0.915 -12.355) 12.578 6.122 ( 2.173 0.915 -12.355) 12.578 6.200 ( 2.230 -5.612 -3.717) 7.090 6.200 ( 2.230 5.612 -3.717) 7.090 6.391 ( 2.305 -1.100 -12.000) 12.269 6.391 ( 2.305 1.100 -12.000) 12.269 6.476 ( -0.704 -3.558 3.942) 5.357 6.476 ( -0.704 3.558 3.942) 5.357 6.670 ( 7.351 -5.075 -8.633) 12.422 6.670 ( 7.351 5.075 -8.633) 12.422 6.893 ( -0.456 -2.281 -8.010) 8.341 6.893 ( -0.456 2.281 -8.010) 8.341 7.135 ( -4.275 -3.743 -22.793) 23.491 7.135 ( -4.275 3.743 -22.793) 23.491 7.363 ( 19.105 -2.155 -2.303) 19.364 7.363 ( 19.105 2.155 -2.303) 19.364 7.838 ( 1.142 -2.224 6.296) 6.774 7.838 ( 1.142 2.224 6.296) 6.774 8.015 ( 3.499 -0.542 10.827) 11.391 8.015 ( 3.499 0.542 10.827) 11.391 8.506 ( 7.324 -1.459 8.679) 11.449 8.506 ( 7.324 1.459 8.679) 11.449 8.694 ( -8.380 -0.875 7.261) 11.123 8.694 ( -8.380 0.875 7.261) 11.123 8.854 ( 4.663 -1.998 -0.172) 5.076 8.854 ( 4.663 1.998 -0.172) 5.076 8.984 ( 9.257 -0.563 -0.234) 9.277 8.984 ( 9.257 0.563 -0.234) 9.277 9.460 ( 4.583 -1.378 -4.047) 6.268 9.460 ( 4.583 1.378 -4.047) 6.268 9.672 ( 9.537 -1.298 -10.036) 13.906 9.672 ( 9.537 1.298 -10.036) 13.906 10.390 ( -16.537 -2.139 19.195) 25.426 10.390 ( -16.537 2.139 19.195) 25.426 10.570 ( -0.379 -2.333 16.863) 17.028 10.570 ( -0.379 2.333 16.863) 17.028 11.002 ( -4.340 -0.140 4.739) 6.428 11.002 ( -4.340 0.140 4.739) 6.428 11.108 ( -9.212 -0.403 8.966) 12.861 11.108 ( -9.212 0.403 8.966) 12.861 11.854 ( 0.498 -0.876 32.788) 32.803 11.854 ( 0.498 0.876 32.788) 32.803 12.042 ( -3.890 -1.254 14.324) 14.896 12.042 ( -3.890 1.254 14.324) 14.896 12.691 ( -0.047 -1.400 -2.784) 3.116 12.691 ( -0.047 1.400 -2.784) 3.116 12.766 ( 1.357 -2.588 9.097) 9.555 12.766 ( 1.357 2.588 9.097) 9.555 12.884 ( -0.544 -0.984 -7.835) 7.915 12.884 ( -0.544 0.984 -7.835) 7.915 12.979 ( -4.848 -2.413 10.902) 12.173 12.979 ( -4.848 2.413 10.902) 12.173 13.644 ( 0.651 -1.627 -24.926) 24.988 13.644 ( 0.651 1.627 -24.926) 24.988 13.830 ( -6.342 -1.401 -24.012) 24.875 13.830 ( -6.342 1.401 -24.012) 24.875 15.526 ( 2.282 -0.727 3.344) 4.114 15.526 ( 2.282 0.727 3.344) 4.114 15.608 ( 0.769 -0.257 3.293) 3.391 15.608 ( 0.769 0.257 3.293) 3.391 15.861 ( 5.320 -0.121 -7.933) 9.553 15.861 ( 5.320 0.121 -7.933) 9.553 15.961 ( 1.187 -0.885 -9.809) 9.920 15.961 ( 1.187 0.885 -9.809) 9.920 17.582 ( 0.215 -0.765 39.838) 39.846 17.582 ( 0.215 0.765 39.838) 39.846 17.612 ( -0.719 -0.252 38.548) 38.556 17.612 ( -0.719 0.252 38.548) 38.556 18.558 ( 0.720 -1.212 -10.756) 10.848 18.558 ( 0.720 1.212 -10.756) 10.848 18.656 ( -1.050 -0.767 -11.773) 11.845 18.656 ( -1.050 0.767 -11.773) 11.845 19.413 ( 1.206 -2.083 24.182) 24.301 19.413 ( 1.206 2.083 24.182) 24.301 19.570 ( -4.204 -1.264 29.091) 29.420 19.570 ( -4.204 1.264 29.091) 29.420 19.965 ( 1.039 -0.318 -0.500) 1.196 19.965 ( 1.039 0.318 -0.500) 1.196 20.041 ( -1.656 -1.285 -1.080) 2.358 20.041 ( -1.656 1.285 -1.080) 2.358 20.234 ( 2.249 -1.211 0.612) 2.627 20.234 ( 2.249 1.211 0.612) 2.627 20.322 ( -2.100 -0.274 4.539) 5.008 20.322 ( -2.100 0.274 4.539) 5.008 21.342 ( -2.218 -0.365 -48.486) 48.538 21.342 ( -2.218 0.365 -48.486) 48.538 21.413 ( -0.739 -0.613 -47.147) 47.156 21.413 ( -0.739 0.613 -47.147) 47.156 22.358 ( 1.320 -0.169 0.719) 1.513 22.358 ( 1.320 0.169 0.719) 1.513 22.399 ( 1.049 -0.517 1.166) 1.651 22.399 ( 1.049 0.517 1.166) 1.651 22.495 ( -0.959 -1.142 0.805) 1.694 22.495 ( -0.959 1.142 0.805) 1.694 22.555 ( -0.824 -0.589 1.964) 2.209 22.555 ( -0.824 0.589 1.964) 2.209 25.124 ( 3.851 -0.195 17.686) 18.102 25.124 ( 3.851 0.195 17.686) 18.102 25.248 ( -2.456 -0.538 18.228) 18.401 25.248 ( -2.456 0.538 18.228) 18.401 26.218 ( 3.449 -1.232 -26.232) 26.486 26.218 ( 3.449 1.232 -26.232) 26.486 26.348 ( -2.896 -1.944 -27.296) 27.518 26.348 ( -2.896 1.944 -27.296) 27.518 27.082 ( 1.859 -0.193 12.762) 12.898 27.082 ( 1.859 0.193 12.762) 12.898 27.195 ( -3.039 -0.184 11.035) 11.447 27.195 ( -3.039 0.184 11.035) 11.447 27.417 ( 0.780 -1.160 1.575) 2.106 27.417 ( 0.780 1.160 1.575) 2.106 27.571 ( 2.261 -1.020 -3.330) 4.153 27.571 ( 2.261 1.020 -3.330) 4.153 29.580 ( 2.717 -1.259 25.581) 25.756 29.580 ( 2.717 1.259 25.581) 25.756 29.821 ( -8.115 -1.415 19.639) 21.297 29.821 ( -8.115 1.415 19.639) 21.297 30.512 ( 3.270 -1.077 2.249) 4.112 30.512 ( 3.270 1.077 2.249) 4.112 30.617 ( -1.284 -1.034 1.104) 1.984 30.617 ( -1.284 1.034 1.104) 1.984 31.669 ( 3.247 -3.495 -8.555) 9.795 31.669 ( 3.247 3.495 -8.555) 9.795 31.769 ( 0.095 -2.418 -12.327) 12.562 31.769 ( 0.095 2.418 -12.327) 12.562 31.971 ( 4.901 -1.352 -22.032) 22.611 31.971 ( 4.901 1.352 -22.032) 22.611 32.166 ( -2.721 -3.810 -28.260) 28.645 32.166 ( -2.721 3.810 -28.260) 28.645 39.771 ( 5.226 -1.224 1.466) 5.564 39.771 ( 5.226 1.224 1.466) 5.564 39.892 ( 9.411 -0.911 -4.142) 10.323 39.892 ( 9.411 0.911 -4.142) 10.323 40.088 ( -7.274 -2.290 4.390) 8.799 40.088 ( -7.274 2.290 4.390) 8.799 40.417 ( -12.294 -3.093 -11.049) 16.817 40.417 ( -12.294 3.093 -11.049) 16.817 41.459 ( 3.364 -0.426 7.990) 8.680 41.459 ( 3.364 0.426 7.990) 8.680 41.531 ( 0.415 -2.409 4.294) 4.941 41.531 ( 0.415 2.409 4.294) 4.941 42.021 ( -0.420 -0.453 7.014) 7.041 42.021 ( -0.420 0.453 7.014) 7.041 42.233 ( 1.557 -4.489 2.361) 5.306 42.233 ( 1.557 4.489 2.361) 5.306 ======================= Grid point 160 (60/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -0.000 -0.000 0.186) 0.186 2.916 ( 0.000 -0.000 0.186) 0.186 2.922 ( -0.000 0.000 -0.724) 0.724 2.922 ( 0.000 0.000 -0.724) 0.724 3.153 ( 0.000 0.000 -6.194) 6.194 3.153 ( 0.000 0.000 -6.194) 6.194 3.200 ( -0.000 0.000 -5.407) 5.407 3.200 ( 0.000 0.000 -5.407) 5.407 4.147 ( 0.000 0.000 28.758) 28.758 4.147 ( 0.000 0.000 28.758) 28.758 4.488 ( -0.000 -0.000 19.436) 19.436 4.488 ( 0.000 0.000 19.436) 19.436 4.720 ( -0.000 0.000 35.896) 35.896 4.720 ( 0.000 0.000 35.896) 35.896 4.944 ( 0.000 0.000 6.201) 6.201 4.944 ( 0.000 0.000 6.201) 6.201 5.275 ( 0.000 0.000 13.038) 13.038 5.275 ( 0.000 0.000 13.038) 13.038 5.525 ( 0.000 -0.000 5.999) 5.999 5.525 ( 0.000 0.000 5.999) 5.999 5.647 ( 0.000 -0.000 6.405) 6.405 5.647 ( -0.000 0.000 6.405) 6.405 5.966 ( -0.000 0.000 -11.222) 11.222 5.966 ( 0.000 0.000 -11.222) 11.222 6.076 ( -0.000 0.000 13.758) 13.758 6.076 ( 0.000 0.000 13.758) 13.758 6.290 ( -0.000 -0.000 -19.487) 19.487 6.290 ( 0.000 0.000 -19.487) 19.487 6.343 ( 0.000 0.000 -5.194) 5.194 6.343 ( 0.000 0.000 -5.194) 5.194 6.499 ( 0.000 0.000 3.155) 3.155 6.499 ( 0.000 0.000 3.155) 3.155 6.777 ( 0.000 0.000 -23.176) 23.176 6.777 ( 0.000 0.000 -23.176) 23.176 6.827 ( -0.000 0.000 -3.410) 3.410 6.827 ( 0.000 0.000 -3.410) 3.410 7.109 ( 0.000 0.000 -19.347) 19.347 7.109 ( 0.000 -0.000 -19.347) 19.347 7.504 ( -0.000 0.000 -18.017) 18.017 7.504 ( 0.000 0.000 -18.017) 18.017 7.952 ( 0.000 0.000 13.926) 13.926 7.952 ( 0.000 0.000 13.926) 13.926 8.145 ( 0.000 0.000 9.362) 9.362 8.145 ( 0.000 0.000 9.362) 9.362 8.408 ( 0.000 0.000 25.397) 25.397 8.408 ( 0.000 0.000 25.397) 25.397 8.626 ( 0.000 0.000 7.062) 7.062 8.626 ( -0.000 0.000 7.062) 7.062 8.898 ( 0.000 0.000 -0.276) 0.276 8.898 ( 0.000 0.000 -0.276) 0.276 9.167 ( 0.000 0.000 -1.372) 1.372 9.167 ( 0.000 0.000 -1.372) 1.372 9.504 ( 0.000 0.000 -2.694) 2.694 9.504 ( 0.000 0.000 -2.694) 2.694 9.772 ( 0.000 0.000 -8.922) 8.922 9.772 ( 0.000 0.000 -8.922) 8.922 10.171 ( 0.000 0.000 21.059) 21.059 10.171 ( 0.000 0.000 21.059) 21.059 10.614 ( 0.000 0.000 16.967) 16.967 10.614 ( 0.000 0.000 16.967) 16.967 10.902 ( -0.000 0.000 -6.398) 6.398 10.902 ( -0.000 0.000 -6.398) 6.398 11.013 ( 0.000 0.000 9.948) 9.948 11.013 ( 0.000 0.000 9.948) 9.948 11.859 ( 0.000 0.000 33.607) 33.607 11.859 ( 0.000 0.000 33.607) 33.607 11.997 ( 0.000 0.000 17.066) 17.066 11.997 ( 0.000 0.000 17.066) 17.066 12.693 ( 0.000 0.000 -3.534) 3.534 12.693 ( 0.000 0.000 -3.534) 3.534 12.804 ( 0.000 0.000 9.721) 9.721 12.804 ( 0.000 0.000 9.721) 9.721 12.861 ( 0.000 0.000 -2.592) 2.592 12.861 ( 0.000 0.000 -2.592) 2.592 12.924 ( 0.000 0.000 5.868) 5.868 12.924 ( 0.000 0.000 5.868) 5.868 13.665 ( 0.000 0.000 -25.737) 25.737 13.665 ( 0.000 0.000 -25.737) 25.737 13.745 ( 0.000 0.000 -23.277) 23.277 13.745 ( 0.000 0.000 -23.277) 23.277 15.553 ( -0.000 0.000 3.024) 3.024 15.553 ( 0.000 0.000 3.024) 3.024 15.615 ( 0.000 0.000 4.085) 4.085 15.615 ( 0.000 0.000 4.085) 4.085 15.934 ( -0.000 0.000 -9.601) 9.601 15.934 ( 0.000 0.000 -9.601) 9.601 15.958 ( 0.000 0.000 -7.806) 7.806 15.958 ( 0.000 0.000 -7.806) 7.806 17.586 ( 0.000 -0.000 40.374) 40.374 17.586 ( 0.000 0.000 40.374) 40.374 17.602 ( -0.000 0.000 38.189) 38.189 17.602 ( 0.000 0.000 38.189) 38.189 18.567 ( 0.000 0.000 -10.892) 10.892 18.567 ( 0.000 0.000 -10.892) 10.892 18.644 ( 0.000 0.000 -11.684) 11.684 18.644 ( 0.000 0.000 -11.684) 11.684 19.432 ( 0.000 0.000 23.954) 23.954 19.432 ( 0.000 0.000 23.954) 23.954 19.519 ( 0.000 0.000 28.903) 28.903 19.519 ( 0.000 0.000 28.903) 28.903 19.980 ( 0.000 0.000 -1.318) 1.318 19.980 ( 0.000 0.000 -1.318) 1.318 20.020 ( 0.000 0.000 -0.124) 0.124 20.020 ( 0.000 -0.000 -0.124) 0.124 20.272 ( -0.000 0.000 5.577) 5.577 20.272 ( -0.000 0.000 5.578) 5.578 20.286 ( 0.000 -0.000 -0.678) 0.678 20.286 ( 0.000 -0.000 -0.678) 0.678 21.316 ( 0.000 0.000 -48.476) 48.476 21.316 ( 0.000 0.000 -48.476) 48.476 21.406 ( 0.000 0.000 -47.615) 47.615 21.406 ( 0.000 0.000 -47.615) 47.615 22.377 ( 0.000 0.000 0.821) 0.821 22.377 ( 0.000 0.000 0.821) 0.821 22.406 ( 0.000 0.000 1.110) 1.110 22.406 ( 0.000 0.000 1.110) 1.110 22.486 ( 0.000 -0.000 1.148) 1.148 22.486 ( 0.000 -0.000 1.148) 1.148 22.544 ( 0.000 0.000 1.593) 1.593 22.544 ( 0.000 0.000 1.593) 1.593 25.179 ( 0.000 0.000 18.482) 18.482 25.179 ( 0.000 0.000 18.482) 18.482 25.208 ( 0.000 0.000 17.553) 17.553 25.208 ( 0.000 0.000 17.553) 17.553 26.267 ( 0.000 0.000 -23.348) 23.348 26.267 ( -0.000 0.000 -23.348) 23.348 26.304 ( 0.000 0.000 -29.721) 29.721 26.304 ( 0.000 0.000 -29.721) 29.721 27.114 ( -0.000 0.000 12.613) 12.613 27.114 ( -0.000 0.000 12.613) 12.613 27.153 ( 0.000 0.000 12.295) 12.295 27.153 ( 0.000 0.000 12.295) 12.295 27.426 ( 0.000 0.000 1.041) 1.041 27.426 ( 0.000 0.000 1.041) 1.041 27.594 ( 0.000 0.000 -4.346) 4.346 27.594 ( 0.000 0.000 -4.346) 4.346 29.630 ( 0.000 0.000 23.855) 23.855 29.630 ( 0.000 0.000 23.855) 23.855 29.716 ( 0.000 0.000 22.421) 22.421 29.716 ( 0.000 0.000 22.421) 22.421 30.559 ( 0.000 0.000 -0.265) 0.265 30.559 ( 0.000 0.000 -0.265) 0.265 30.588 ( -0.000 0.000 6.071) 6.071 30.588 ( -0.000 0.000 6.071) 6.071 31.728 ( -0.000 -0.000 -11.492) 11.492 31.728 ( 0.000 -0.000 -11.492) 11.492 31.742 ( -0.000 0.000 -10.622) 10.622 31.742 ( 0.000 0.000 -10.622) 10.622 32.048 ( 0.000 0.000 -22.524) 22.524 32.048 ( 0.000 0.000 -22.524) 22.524 32.117 ( -0.000 -0.000 -30.113) 30.113 32.117 ( 0.000 0.000 -30.113) 30.113 39.856 ( 0.000 0.000 5.453) 5.453 39.856 ( 0.000 0.000 5.453) 5.453 39.981 ( 0.000 0.000 0.209) 0.209 39.981 ( -0.000 0.000 0.209) 0.209 40.044 ( 0.000 0.000 -1.639) 1.639 40.044 ( 0.000 0.000 -1.639) 1.639 40.236 ( 0.000 -0.000 -13.675) 13.675 40.236 ( 0.000 0.000 -13.675) 13.675 41.495 ( 0.000 0.000 5.534) 5.534 41.495 ( 0.000 0.000 5.534) 5.534 41.536 ( 0.000 0.000 7.709) 7.709 41.536 ( 0.000 0.000 7.709) 7.709 42.011 ( 0.000 0.000 5.891) 5.891 42.011 ( 0.000 0.000 5.891) 5.891 42.252 ( 0.000 0.000 2.626) 2.626 42.252 ( 0.000 0.000 2.626) 2.626 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 0.000 0.000 -9.385) 9.385 3.313 ( 0.000 0.000 9.385) 9.385 3.349 ( 0.000 0.000 -7.280) 7.280 3.349 ( 0.000 0.000 7.280) 7.280 3.504 ( 0.000 0.000 -3.817) 3.817 3.504 ( 0.000 0.000 3.817) 3.817 3.696 ( 0.000 0.000 -5.574) 5.574 3.696 ( 0.000 0.000 5.574) 5.574 4.143 ( 0.000 0.000 -28.861) 28.861 4.143 ( 0.000 0.000 28.861) 28.861 4.732 ( 0.000 0.000 -34.901) 34.901 4.732 ( 0.000 0.000 34.901) 34.901 4.907 ( 0.000 0.000 -8.715) 8.715 4.907 ( 0.000 0.000 8.715) 8.715 5.176 ( 0.000 0.000 -13.529) 13.529 5.176 ( 0.000 0.000 13.529) 13.529 5.250 ( 0.000 0.000 -23.732) 23.732 5.250 ( 0.000 0.000 23.732) 23.732 5.580 ( 0.000 0.000 -8.532) 8.532 5.580 ( 0.000 0.000 8.532) 8.532 5.850 ( 0.000 0.000 -19.181) 19.181 5.850 ( 0.000 0.000 19.181) 19.181 5.887 ( 0.000 0.000 -5.341) 5.341 5.887 ( 0.000 0.000 5.341) 5.341 6.089 ( 0.000 0.000 -12.564) 12.564 6.089 ( 0.000 0.000 12.564) 12.564 6.100 ( 0.000 0.000 -9.552) 9.552 6.100 ( 0.000 0.000 9.552) 9.552 6.194 ( 0.000 0.000 -13.280) 13.280 6.194 ( 0.000 0.000 13.280) 13.280 6.551 ( 0.000 0.000 -29.697) 29.697 6.551 ( 0.000 0.000 29.697) 29.697 6.563 ( 0.000 0.000 -3.047) 3.047 6.563 ( 0.000 0.000 3.047) 3.047 6.771 ( 0.000 0.000 -33.157) 33.157 6.771 ( 0.000 0.000 33.157) 33.157 6.971 ( 0.000 0.000 -5.656) 5.656 6.971 ( 0.000 0.000 5.656) 5.656 7.180 ( 0.000 0.000 -15.503) 15.503 7.180 ( 0.000 0.000 15.503) 15.503 7.971 ( 0.000 0.000 -9.214) 9.214 7.971 ( 0.000 0.000 9.214) 9.214 8.047 ( 0.000 0.000 -8.340) 8.340 8.047 ( 0.000 0.000 8.340) 8.340 8.116 ( 0.000 0.000 -8.095) 8.095 8.116 ( 0.000 0.000 8.095) 8.095 8.228 ( 0.000 0.000 -9.288) 9.288 8.228 ( 0.000 0.000 9.288) 9.288 8.863 ( 0.000 0.000 -1.249) 1.249 8.863 ( 0.000 0.000 1.249) 1.249 9.057 ( 0.000 0.000 -1.665) 1.665 9.057 ( 0.000 0.000 1.665) 1.665 9.159 ( 0.000 0.000 -1.726) 1.726 9.159 ( 0.000 0.000 1.726) 1.726 9.250 ( 0.000 0.000 -0.089) 0.089 9.250 ( 0.000 0.000 0.089) 0.089 11.015 ( 0.000 0.000 -12.967) 12.967 11.015 ( 0.000 0.000 12.967) 12.967 11.022 ( 0.000 0.000 -8.742) 8.742 11.022 ( 0.000 0.000 8.742) 8.742 11.228 ( 0.000 0.000 -16.719) 16.719 11.228 ( 0.000 0.000 16.719) 16.719 11.248 ( 0.000 0.000 -13.688) 13.688 11.248 ( 0.000 0.000 13.688) 13.688 12.446 ( 0.000 0.000 -17.292) 17.292 12.446 ( 0.000 0.000 17.292) 17.292 12.460 ( 0.000 0.000 -26.945) 26.945 12.460 ( 0.000 0.000 26.945) 26.945 12.525 ( 0.000 0.000 -26.530) 26.530 12.525 ( 0.000 0.000 26.530) 26.530 12.585 ( 0.000 0.000 -20.172) 20.172 12.585 ( 0.000 0.000 20.172) 20.172 13.070 ( 0.000 0.000 -24.926) 24.926 13.070 ( 0.000 0.000 24.926) 24.926 13.303 ( 0.000 0.000 -23.749) 23.749 13.303 ( 0.000 0.000 23.749) 23.749 13.311 ( 0.000 0.000 -23.976) 23.976 13.311 ( 0.000 0.000 23.976) 23.976 13.602 ( 0.000 0.000 -23.569) 23.569 13.602 ( 0.000 0.000 23.569) 23.569 15.545 ( 0.000 0.000 -5.431) 5.431 15.545 ( 0.000 0.000 5.431) 5.431 15.571 ( 0.000 0.000 -7.591) 7.591 15.571 ( 0.000 0.000 7.591) 7.591 15.648 ( 0.000 0.000 -6.298) 6.298 15.648 ( 0.000 0.000 6.298) 6.298 15.731 ( 0.000 0.000 -9.306) 9.306 15.731 ( 0.000 0.000 9.306) 9.306 18.170 ( 0.000 0.000 -22.690) 22.690 18.170 ( 0.000 0.000 22.690) 22.690 18.271 ( 0.000 0.000 -25.074) 25.074 18.271 ( 0.000 0.000 25.074) 25.074 18.283 ( 0.000 0.000 -25.630) 25.630 18.283 ( 0.000 0.000 25.630) 25.630 18.315 ( 0.000 0.000 -27.445) 27.445 18.315 ( 0.000 0.000 27.445) 27.445 19.763 ( 0.000 0.000 -16.757) 16.757 19.763 ( 0.000 0.000 16.757) 16.757 19.905 ( 0.000 0.000 -15.495) 15.495 19.905 ( 0.000 0.000 15.495) 15.495 19.979 ( 0.000 0.000 -5.768) 5.768 19.979 ( 0.000 0.000 5.768) 5.768 20.035 ( 0.000 0.000 -2.017) 2.017 20.035 ( 0.000 0.000 2.017) 2.017 20.493 ( 0.000 0.000 -34.995) 34.995 20.493 ( 0.000 0.000 34.995) 34.995 20.511 ( 0.000 0.000 -39.665) 39.665 20.511 ( 0.000 0.000 39.665) 39.665 20.698 ( 0.000 0.000 -28.909) 28.909 20.698 ( 0.000 0.000 28.909) 28.909 20.721 ( 0.000 0.000 -25.900) 25.900 20.721 ( 0.000 0.000 25.900) 25.900 22.335 ( 0.000 0.000 -1.693) 1.693 22.335 ( 0.000 0.000 1.693) 1.693 22.371 ( 0.000 0.000 -1.897) 1.897 22.371 ( 0.000 0.000 1.897) 1.897 22.521 ( 0.000 0.000 -3.322) 3.322 22.521 ( 0.000 0.000 3.322) 3.322 22.601 ( 0.000 0.000 -2.237) 2.237 22.601 ( 0.000 0.000 2.237) 2.237 25.459 ( 0.000 0.000 -29.816) 29.816 25.459 ( 0.000 0.000 29.816) 29.816 25.593 ( 0.000 0.000 -30.333) 30.333 25.593 ( 0.000 0.000 30.333) 30.333 25.679 ( 0.000 0.000 -28.294) 28.294 25.679 ( 0.000 0.000 28.294) 28.294 25.910 ( 0.000 0.000 -30.613) 30.613 25.910 ( 0.000 0.000 30.613) 30.613 27.248 ( 0.000 0.000 -7.867) 7.867 27.248 ( 0.000 0.000 7.867) 7.867 27.273 ( 0.000 0.000 -4.938) 4.938 27.273 ( 0.000 0.000 4.938) 4.938 27.470 ( 0.000 0.000 -3.389) 3.389 27.470 ( 0.000 0.000 3.389) 3.389 27.477 ( 0.000 0.000 -1.501) 1.501 27.477 ( 0.000 0.000 1.501) 1.501 30.032 ( 0.000 0.000 -24.823) 24.823 30.032 ( 0.000 0.000 24.823) 24.823 30.097 ( 0.000 0.000 -20.836) 20.836 30.097 ( 0.000 0.000 20.836) 20.836 30.420 ( 0.000 0.000 -12.961) 12.961 30.420 ( 0.000 0.000 12.961) 12.961 30.489 ( 0.000 0.000 -8.106) 8.106 30.489 ( 0.000 0.000 8.106) 8.106 31.595 ( 0.000 0.000 -9.210) 9.210 31.595 ( 0.000 0.000 9.210) 9.210 31.599 ( 0.000 0.000 -1.317) 1.317 31.599 ( 0.000 0.000 1.317) 1.317 31.753 ( 0.000 0.000 -7.616) 7.616 31.753 ( 0.000 0.000 7.616) 7.616 31.829 ( 0.000 0.000 -17.742) 17.742 31.829 ( 0.000 0.000 17.742) 17.742 39.575 ( 0.000 0.000 -0.208) 0.208 39.575 ( 0.000 0.000 0.208) 0.208 39.720 ( 0.000 0.000 -0.805) 0.805 39.720 ( 0.000 0.000 0.805) 0.805 40.363 ( 0.000 0.000 -12.771) 12.771 40.363 ( 0.000 0.000 12.771) 12.771 40.609 ( 0.000 0.000 -12.880) 12.880 40.609 ( 0.000 0.000 12.880) 12.880 41.444 ( 0.000 0.000 -2.169) 2.169 41.444 ( 0.000 0.000 2.169) 2.169 41.503 ( 0.000 0.000 -0.175) 0.175 41.503 ( 0.000 0.000 0.175) 0.175 42.041 ( 0.000 0.000 -1.871) 1.871 42.041 ( 0.000 0.000 1.871) 1.871 42.289 ( 0.000 0.000 -8.725) 8.725 42.289 ( 0.000 0.000 8.725) 8.725 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( -10.105 0.000 -6.574) 12.055 3.216 ( -10.105 0.000 6.574) 12.055 3.271 ( -6.778 0.000 -1.990) 7.064 3.271 ( -6.778 0.000 1.990) 7.064 3.374 ( -11.790 0.000 -2.698) 12.094 3.374 ( -11.790 0.000 2.698) 12.094 3.540 ( -12.334 0.000 -0.000) 12.334 3.540 ( -12.334 0.000 0.000) 12.334 4.231 ( 8.417 0.000 -26.514) 27.818 4.231 ( 8.416 0.000 26.514) 27.818 4.754 ( 2.032 0.000 -26.313) 26.392 4.754 ( 2.032 0.000 26.313) 26.392 4.927 ( -1.503 0.000 -0.210) 1.518 4.927 ( -1.503 0.000 0.210) 1.518 5.093 ( -5.692 0.000 -16.946) 17.876 5.093 ( -5.692 0.000 16.946) 17.876 5.232 ( 5.818 0.000 -11.535) 12.919 5.232 ( 5.818 0.000 11.535) 12.919 5.670 ( 0.849 0.000 -0.073) 0.852 5.670 ( 0.849 0.000 0.073) 0.852 5.793 ( -6.169 0.000 -0.108) 6.170 5.793 ( -6.169 0.000 0.108) 6.170 5.958 ( -3.818 0.000 -15.351) 15.819 5.958 ( -3.818 0.000 15.351) 15.819 6.031 ( 8.749 0.000 -9.847) 13.172 6.031 ( 8.749 0.000 9.847) 13.172 6.157 ( 5.723 0.000 -11.113) 12.500 6.157 ( 5.723 0.000 11.113) 12.500 6.280 ( 6.487 0.000 -2.806) 7.068 6.280 ( 6.487 0.000 2.806) 7.068 6.497 ( -2.054 0.000 -5.028) 5.432 6.497 ( -2.054 0.000 5.028) 5.432 6.612 ( -8.821 0.000 -26.172) 27.618 6.612 ( -8.821 0.000 26.172) 27.618 6.797 ( 12.594 0.000 -8.347) 15.109 6.797 ( 12.594 0.000 8.347) 15.109 6.986 ( -7.134 0.000 -17.525) 18.921 6.986 ( -7.134 0.000 17.525) 18.921 7.100 ( -1.112 0.000 -9.855) 9.918 7.100 ( -1.112 0.000 9.855) 9.918 7.887 ( -1.023 0.000 -1.782) 2.055 7.887 ( -1.023 0.000 1.782) 2.055 7.975 ( 1.164 0.000 -3.008) 3.225 7.975 ( 1.164 0.000 3.008) 3.225 8.418 ( 17.804 0.000 -12.206) 21.586 8.418 ( 17.804 0.000 12.206) 21.586 8.423 ( 13.843 0.000 -10.174) 17.180 8.423 ( 13.843 0.000 10.174) 17.180 8.884 ( 2.105 0.000 -0.466) 2.156 8.884 ( 2.105 0.000 0.466) 2.156 8.961 ( -5.860 0.000 -0.345) 5.870 8.961 ( -5.860 0.000 0.345) 5.870 9.243 ( 8.002 0.000 -0.284) 8.007 9.243 ( 8.002 0.000 0.284) 8.007 9.374 ( 8.856 0.000 -0.824) 8.894 9.374 ( 8.856 0.000 0.824) 8.894 10.868 ( -12.185 0.000 -2.419) 12.423 10.868 ( -12.185 0.000 2.419) 12.423 10.952 ( -7.305 0.000 -6.369) 9.691 10.952 ( -7.305 0.000 6.369) 9.691 11.170 ( -6.623 0.000 -8.257) 10.585 11.170 ( -6.623 0.000 8.257) 10.585 11.212 ( -3.707 0.000 -9.358) 10.065 11.212 ( -3.707 0.000 9.358) 10.065 12.442 ( -0.122 0.000 -16.030) 16.031 12.442 ( -0.122 0.000 16.030) 16.031 12.472 ( 0.475 0.000 -22.972) 22.976 12.472 ( 0.475 0.000 22.972) 22.976 12.520 ( -0.021 0.000 -13.926) 13.926 12.520 ( -0.021 0.000 13.926) 13.926 12.577 ( -0.655 0.000 -5.684) 5.722 12.577 ( -0.655 0.000 5.684) 5.722 13.068 ( -0.005 0.000 -24.856) 24.856 13.068 ( -0.005 0.000 24.856) 24.856 13.221 ( -4.652 0.000 -2.630) 5.344 13.221 ( -4.652 0.000 2.630) 5.344 13.332 ( -0.746 0.000 -2.177) 2.301 13.332 ( -0.746 0.000 2.177) 2.301 13.529 ( -6.604 0.000 -22.380) 23.334 13.529 ( -6.604 0.000 22.380) 23.334 15.567 ( 1.381 0.000 -1.785) 2.257 15.567 ( 1.381 0.000 1.785) 2.257 15.589 ( 2.777 0.000 -1.363) 3.093 15.589 ( 2.777 0.000 1.363) 3.093 15.704 ( 4.171 0.000 -3.767) 5.621 15.704 ( 4.171 0.000 3.767) 5.621 15.757 ( 2.588 0.000 -7.610) 8.038 15.757 ( 2.588 0.000 7.610) 8.038 18.176 ( 0.617 0.000 -22.923) 22.931 18.176 ( 0.617 0.000 22.923) 22.931 18.261 ( -0.833 0.000 -19.460) 19.478 18.261 ( -0.833 0.000 19.460) 19.478 18.284 ( -0.018 0.000 -20.185) 20.185 18.284 ( -0.018 0.000 20.185) 20.185 18.311 ( -0.399 0.000 -27.040) 27.043 18.311 ( -0.399 0.000 27.040) 27.043 19.775 ( 1.146 0.000 -16.598) 16.637 19.775 ( 1.146 0.000 16.598) 16.637 19.895 ( -1.017 0.000 -14.436) 14.471 19.895 ( -1.017 0.000 14.436) 14.471 19.972 ( -0.657 0.000 -7.108) 7.138 19.972 ( -0.657 0.000 7.108) 7.138 20.031 ( -0.434 0.000 -1.329) 1.398 20.031 ( -0.434 0.000 1.329) 1.398 20.480 ( -1.647 0.000 -23.278) 23.337 20.480 ( -1.647 0.000 23.278) 23.337 20.507 ( 0.241 0.000 -17.263) 17.265 20.507 ( 0.241 0.000 17.263) 17.265 20.657 ( -3.461 0.000 -24.935) 25.174 20.657 ( -3.461 0.000 24.935) 25.174 20.703 ( -1.730 0.000 -24.366) 24.427 20.703 ( -1.730 0.000 24.366) 24.427 22.347 ( 1.114 0.000 -1.597) 1.947 22.347 ( 1.114 0.000 1.597) 1.947 22.384 ( 1.110 0.000 -1.785) 2.102 22.384 ( 1.110 0.000 1.785) 2.102 22.515 ( -0.515 0.000 -3.073) 3.116 22.515 ( -0.515 0.000 3.073) 3.116 22.590 ( -1.110 0.000 -2.147) 2.417 22.590 ( -1.110 0.000 2.147) 2.417 25.494 ( 3.263 0.000 -22.819) 23.051 25.494 ( 3.263 0.000 22.819) 23.051 25.615 ( 1.980 0.000 -23.091) 23.176 25.615 ( 1.980 0.000 23.091) 23.176 25.684 ( 0.446 0.000 -23.945) 23.949 25.684 ( 0.446 0.000 23.945) 23.949 25.877 ( -3.097 0.000 -26.275) 26.457 25.877 ( -3.097 0.000 26.275) 26.457 27.262 ( 1.150 0.000 -6.048) 6.156 27.262 ( 1.150 0.000 6.048) 6.156 27.275 ( 0.282 0.000 -4.051) 4.060 27.275 ( 0.282 0.000 4.051) 4.060 27.473 ( 0.054 0.000 -0.628) 0.631 27.473 ( 0.054 0.000 0.628) 0.631 27.476 ( 0.101 0.000 -5.288) 5.289 27.476 ( 0.101 0.000 5.288) 5.289 29.972 ( -3.700 0.000 -14.586) 15.048 29.972 ( -3.700 0.000 14.586) 15.048 30.079 ( -3.033 0.000 -13.603) 13.937 30.079 ( -3.033 0.000 13.603) 13.937 30.443 ( 3.725 0.000 -2.402) 4.432 30.443 ( 3.725 0.000 2.402) 4.432 30.564 ( 4.875 0.000 -3.807) 6.185 30.564 ( 4.875 0.000 3.807) 6.185 31.602 ( 0.625 0.000 -2.592) 2.666 31.602 ( 0.625 0.000 2.592) 2.666 31.607 ( 0.799 0.000 -6.035) 6.087 31.607 ( 0.799 0.000 6.035) 6.087 31.753 ( -0.037 0.000 -6.456) 6.456 31.753 ( -0.037 0.000 6.456) 6.456 31.816 ( -1.212 0.000 -16.377) 16.422 31.816 ( -1.212 0.000 16.377) 16.422 39.633 ( 5.669 0.000 -1.072) 5.770 39.633 ( 5.669 0.000 1.072) 5.770 39.753 ( 3.299 0.000 -1.384) 3.577 39.753 ( 3.299 0.000 1.384) 3.577 40.298 ( -6.085 0.000 -11.207) 12.752 40.298 ( -6.085 0.000 11.207) 12.752 40.506 ( -9.343 0.000 -11.449) 14.777 40.506 ( -9.343 0.000 11.449) 14.777 41.493 ( 1.844 0.000 -0.005) 1.844 41.493 ( 1.844 0.000 0.005) 1.844 41.514 ( 3.199 0.000 -2.597) 4.120 41.514 ( 3.199 0.000 2.597) 4.120 42.072 ( 2.678 0.000 -0.205) 2.685 42.072 ( 2.678 0.000 0.205) 2.685 42.273 ( -1.471 0.000 -8.550) 8.675 42.273 ( -1.471 0.000 8.550) 8.675 ======================= Grid point 179 (63/72) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -10.069 0.000 -4.293) 10.946 2.978 ( -10.069 0.000 4.293) 10.946 3.109 ( -13.162 0.000 -5.660) 14.327 3.109 ( -13.162 0.000 5.660) 14.327 3.134 ( -5.314 0.000 -0.170) 5.317 3.134 ( -5.314 0.000 0.170) 5.317 3.283 ( -12.037 0.000 -2.166) 12.230 3.283 ( -12.037 0.000 2.166) 12.230 4.452 ( 12.569 0.000 -18.154) 22.080 4.452 ( 12.569 0.000 18.154) 22.080 4.804 ( 1.126 0.000 -2.364) 2.618 4.804 ( 1.126 0.000 2.364) 2.618 4.835 ( -3.319 0.000 -10.995) 11.485 4.835 ( -3.319 0.000 10.995) 11.485 5.116 ( 5.099 0.000 -12.686) 13.673 5.116 ( 5.099 0.000 12.686) 13.673 5.370 ( -5.509 0.000 -12.242) 13.424 5.370 ( -5.509 0.000 12.242) 13.424 5.494 ( 5.779 0.000 -2.975) 6.500 5.494 ( 5.779 0.000 2.975) 6.500 5.763 ( -4.578 0.000 -13.788) 14.528 5.763 ( -4.578 0.000 13.788) 14.528 5.996 ( 1.601 0.000 -10.178) 10.303 5.996 ( 1.601 0.000 10.178) 10.303 6.113 ( -1.145 0.000 -11.244) 11.302 6.113 ( -1.145 0.000 11.244) 11.302 6.222 ( -2.462 0.000 -0.033) 2.462 6.222 ( -2.462 0.000 0.033) 2.462 6.297 ( 0.209 0.000 -7.988) 7.990 6.297 ( 0.209 0.000 7.988) 7.990 6.422 ( -1.445 0.000 -9.665) 9.772 6.422 ( -1.445 0.000 9.665) 9.772 6.599 ( 2.352 0.000 -0.087) 2.354 6.599 ( 2.352 0.000 0.087) 2.354 6.759 ( -9.034 0.000 -5.820) 10.746 6.759 ( -9.034 0.000 5.820) 10.746 7.005 ( 6.969 0.000 -7.802) 10.462 7.005 ( 6.969 0.000 7.802) 10.462 7.132 ( 1.316 0.000 -15.906) 15.960 7.132 ( 1.316 0.000 15.906) 15.960 7.996 ( 10.111 0.000 -7.187) 12.405 7.996 ( 10.111 0.000 7.187) 12.405 8.080 ( 7.821 0.000 -2.100) 8.098 8.080 ( 7.821 0.000 2.100) 8.098 8.635 ( 6.429 0.000 -3.885) 7.512 8.635 ( 6.429 0.000 3.885) 7.512 8.708 ( 6.160 0.000 -6.970) 9.302 8.708 ( 6.160 0.000 6.970) 9.302 8.886 ( 3.026 0.000 -5.994) 6.715 8.886 ( 3.026 0.000 5.994) 6.715 8.967 ( 4.168 0.000 -2.495) 4.857 8.967 ( 4.168 0.000 2.495) 4.857 9.448 ( 10.761 0.000 -2.925) 11.151 9.448 ( 10.761 0.000 2.925) 11.151 9.538 ( 6.345 0.000 -3.131) 7.075 9.538 ( 6.345 0.000 3.131) 7.075 10.623 ( -9.362 0.000 -9.155) 13.095 10.623 ( -9.362 0.000 9.155) 13.095 10.757 ( -10.790 0.000 -7.128) 12.931 10.757 ( -10.790 0.000 7.128) 12.931 11.006 ( -8.390 0.000 -1.062) 8.457 11.006 ( -8.390 0.000 1.062) 8.457 11.075 ( -9.223 0.000 -10.716) 14.138 11.075 ( -9.223 0.000 10.716) 14.138 12.443 ( 0.255 0.000 -15.583) 15.585 12.443 ( 0.255 0.000 15.583) 15.585 12.467 ( -0.671 0.000 -3.885) 3.943 12.467 ( -0.671 0.000 3.885) 3.943 12.536 ( 1.200 0.000 -18.611) 18.650 12.536 ( 1.200 0.000 18.611) 18.650 12.565 ( -0.529 0.000 -13.974) 13.984 12.565 ( -0.529 0.000 13.974) 13.984 13.080 ( 1.350 0.000 -23.827) 23.866 13.080 ( 1.350 0.000 23.827) 23.866 13.147 ( -2.370 0.000 -0.300) 2.389 13.147 ( -2.370 0.000 0.300) 2.389 13.292 ( -2.533 0.000 -0.941) 2.702 13.292 ( -2.533 0.000 0.941) 2.702 13.379 ( -7.287 0.000 -19.424) 20.746 13.379 ( -7.287 0.000 19.424) 20.746 15.608 ( 2.404 0.000 -3.526) 4.268 15.608 ( 2.404 0.000 3.526) 4.268 15.641 ( 1.664 0.000 -1.352) 2.144 15.641 ( 1.664 0.000 1.352) 2.144 15.785 ( 3.685 0.000 -0.485) 3.717 15.785 ( 3.685 0.000 0.485) 3.717 15.817 ( 2.536 0.000 -1.070) 2.752 15.817 ( 2.536 0.000 1.070) 2.752 18.193 ( 1.057 0.000 -23.298) 23.322 18.193 ( 1.057 0.000 23.298) 23.322 18.241 ( -1.139 0.000 -21.024) 21.055 18.241 ( -1.139 0.000 21.024) 21.055 18.284 ( 0.048 0.000 -22.118) 22.118 18.284 ( 0.048 0.000 22.118) 22.118 18.300 ( -0.634 0.000 -26.067) 26.074 18.300 ( -0.634 0.000 26.067) 26.074 19.805 ( 1.617 0.000 -15.574) 15.658 19.805 ( 1.617 0.000 15.574) 15.658 19.868 ( -1.570 0.000 -12.596) 12.694 19.868 ( -1.570 0.000 12.596) 12.694 19.963 ( 0.043 0.000 -8.121) 8.121 19.963 ( 0.043 0.000 8.121) 8.121 20.013 ( -1.455 0.000 -2.804) 3.159 20.013 ( -1.455 0.000 2.804) 3.159 20.450 ( -0.743 0.000 -31.538) 31.547 20.450 ( -0.743 0.000 31.538) 31.547 20.504 ( -1.331 0.000 -6.564) 6.698 20.504 ( -1.331 0.000 6.564) 6.698 20.597 ( -1.361 0.000 -2.560) 2.900 20.597 ( -1.361 0.000 2.560) 2.900 20.658 ( -2.557 0.000 -25.024) 25.154 20.658 ( -2.557 0.000 25.024) 25.154 22.376 ( 1.628 0.000 -1.345) 2.112 22.376 ( 1.628 0.000 1.345) 2.112 22.407 ( 0.848 0.000 -1.043) 1.344 22.407 ( 0.848 0.000 1.043) 1.344 22.507 ( -0.051 0.000 -1.828) 1.829 22.507 ( -0.051 0.000 1.828) 1.829 22.559 ( -1.811 0.000 -1.614) 2.426 22.559 ( -1.811 0.000 1.614) 2.426 25.579 ( 4.915 0.000 -6.546) 8.186 25.579 ( 4.915 0.000 6.546) 8.186 25.658 ( 1.965 0.000 -6.267) 6.568 25.658 ( 1.965 0.000 6.267) 6.568 25.693 ( 0.336 0.000 -11.944) 11.949 25.693 ( 0.336 0.000 11.944) 11.949 25.796 ( -4.788 0.000 -14.385) 15.161 25.796 ( -4.788 0.000 14.385) 15.161 27.281 ( 0.696 0.000 -3.321) 3.394 27.281 ( 0.696 0.000 3.321) 3.394 27.287 ( 0.763 0.000 -2.654) 2.761 27.287 ( 0.763 0.000 2.654) 2.761 27.472 ( 0.044 0.000 -3.660) 3.661 27.472 ( 0.044 0.000 3.660) 3.661 27.480 ( 0.050 0.000 -5.244) 5.244 27.480 ( 0.050 0.000 5.244) 5.244 29.923 ( -0.979 0.000 -8.122) 8.181 29.923 ( -0.979 0.000 8.122) 8.181 30.000 ( -4.067 0.000 -5.607) 6.927 30.000 ( -4.067 0.000 5.607) 6.927 30.541 ( 5.157 0.000 -2.438) 5.704 30.541 ( 5.157 0.000 2.438) 5.704 30.634 ( 1.633 0.000 -4.549) 4.833 30.634 ( 1.633 0.000 4.549) 4.833 31.619 ( 0.917 0.000 -1.376) 1.654 31.619 ( 0.917 0.000 1.376) 1.654 31.626 ( 0.871 0.000 -8.548) 8.592 31.626 ( 0.871 0.000 8.548) 8.592 31.752 ( 0.064 0.000 -2.544) 2.545 31.752 ( 0.064 0.000 2.544) 2.545 31.787 ( -1.577 0.000 -12.201) 12.303 31.787 ( -1.577 0.000 12.201) 12.303 39.792 ( 9.903 0.000 -3.247) 10.421 39.792 ( 9.903 0.000 3.247) 10.421 39.848 ( 6.043 0.000 -3.016) 6.753 39.848 ( 6.043 0.000 3.016) 6.753 40.147 ( -8.414 0.000 -8.028) 11.629 40.147 ( -8.414 0.000 8.028) 11.629 40.278 ( -12.597 0.000 -8.990) 15.476 40.278 ( -12.597 0.000 8.990) 15.476 41.523 ( 2.117 0.000 -0.371) 2.149 41.523 ( 2.117 0.000 0.371) 2.149 41.582 ( 1.642 0.000 -2.788) 3.236 41.582 ( 1.642 0.000 2.788) 3.236 42.131 ( 3.081 0.000 -2.038) 3.694 42.131 ( 3.081 0.000 2.038) 3.694 42.238 ( -1.972 0.000 -7.563) 7.816 42.238 ( -1.972 0.000 7.563) 7.816 ======================= Grid point 181 (64/72) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( -4.287 0.000 -1.284) 4.475 2.914 ( -4.287 0.000 1.284) 4.475 2.914 ( 4.287 0.000 -1.284) 4.475 2.914 ( 4.287 0.000 1.284) 4.475 3.115 ( -3.909 0.000 -0.978) 4.029 3.115 ( 3.909 0.000 -0.978) 4.029 3.115 ( -3.909 0.000 0.978) 4.029 3.115 ( 3.909 0.000 0.978) 4.029 4.677 ( -8.897 0.000 -1.100) 8.965 4.677 ( 8.897 0.000 -1.100) 8.965 4.677 ( -8.897 0.000 1.100) 8.965 4.677 ( 8.897 0.000 1.100) 8.965 4.977 ( -11.943 0.000 -4.860) 12.894 4.977 ( 11.943 0.000 -4.860) 12.894 4.977 ( -11.943 0.000 4.860) 12.894 4.977 ( 11.943 0.000 4.860) 12.894 5.491 ( -14.036 0.000 -35.122) 37.823 5.491 ( 14.036 0.000 -35.122) 37.823 5.491 ( -14.036 0.000 35.122) 37.823 5.491 ( 14.036 0.000 35.122) 37.823 5.812 ( -14.433 0.000 -6.727) 15.924 5.812 ( 14.433 0.000 -6.727) 15.924 5.812 ( -14.433 0.000 6.727) 15.924 5.812 ( 14.433 0.000 6.727) 15.924 6.162 ( -4.129 0.000 -16.155) 16.674 6.162 ( 4.129 0.000 -16.155) 16.674 6.162 ( -4.129 0.000 16.155) 16.674 6.162 ( 4.129 0.000 16.155) 16.674 6.356 ( -4.497 0.000 -3.611) 5.767 6.356 ( 4.497 0.000 -3.611) 5.767 6.356 ( -4.497 0.000 3.611) 5.767 6.356 ( 4.497 0.000 3.611) 5.767 6.651 ( -3.769 0.000 -6.622) 7.620 6.651 ( 3.769 0.000 -6.622) 7.620 6.651 ( -3.769 0.000 6.622) 7.620 6.651 ( 3.769 0.000 6.622) 7.620 7.109 ( -3.599 0.000 -15.907) 16.309 7.109 ( 3.599 0.000 -15.907) 16.309 7.109 ( -3.599 0.000 15.907) 16.309 7.109 ( 3.599 0.000 15.907) 16.309 8.160 ( -2.747 0.000 -1.121) 2.967 8.160 ( 2.747 0.000 -1.121) 2.967 8.160 ( -2.747 0.000 1.121) 2.967 8.160 ( 2.747 0.000 1.121) 2.967 8.704 ( -1.876 0.000 -1.483) 2.392 8.704 ( 1.876 0.000 -1.483) 2.392 8.704 ( -1.876 0.000 1.483) 2.392 8.704 ( 1.876 0.000 1.483) 2.392 8.996 ( -3.116 0.000 -12.737) 13.113 8.996 ( 3.116 0.000 -12.737) 13.113 8.996 ( -3.116 0.000 12.737) 13.113 8.996 ( 3.116 0.000 12.737) 13.113 9.587 ( -2.033 0.000 -4.387) 4.835 9.587 ( 2.033 0.000 -4.387) 4.835 9.587 ( -2.033 0.000 4.387) 4.835 9.587 ( 2.033 0.000 4.387) 4.835 10.583 ( -5.119 0.000 -19.732) 20.385 10.583 ( 5.119 0.000 -19.732) 20.385 10.583 ( -5.119 0.000 19.732) 20.385 10.583 ( 5.119 0.000 19.732) 20.385 10.927 ( -2.674 0.000 -12.428) 12.712 10.927 ( 2.674 0.000 -12.428) 12.712 10.927 ( -2.674 0.000 12.428) 12.712 10.927 ( 2.674 0.000 12.428) 12.712 12.453 ( -0.669 0.000 -15.011) 15.026 12.453 ( 0.669 0.000 -15.011) 15.026 12.453 ( -0.669 0.000 15.011) 15.026 12.453 ( 0.669 0.000 15.011) 15.026 12.555 ( -0.622 0.000 -20.924) 20.934 12.555 ( 0.622 0.000 -20.924) 20.934 12.555 ( -0.622 0.000 20.924) 20.934 12.555 ( 0.622 0.000 20.924) 20.934 13.114 ( -1.647 0.000 -16.295) 16.378 13.114 ( 1.647 0.000 -16.295) 16.378 13.114 ( -1.647 0.000 16.295) 16.378 13.114 ( 1.647 0.000 16.295) 16.378 13.276 ( -2.164 0.000 -14.371) 14.533 13.276 ( 2.164 0.000 -14.371) 14.533 13.276 ( -2.164 0.000 14.371) 14.533 13.276 ( 2.164 0.000 14.371) 14.533 15.647 ( -1.078 0.000 -1.822) 2.117 15.647 ( 1.078 0.000 -1.822) 2.117 15.647 ( -1.078 0.000 1.822) 2.117 15.647 ( 1.078 0.000 1.822) 2.117 15.835 ( -0.929 0.000 -0.918) 1.306 15.835 ( 0.929 0.000 -0.918) 1.306 15.835 ( -0.929 0.000 0.918) 1.306 15.835 ( 0.929 0.000 0.918) 1.306 18.217 ( -1.238 0.000 -22.996) 23.029 18.217 ( 1.238 0.000 -22.996) 23.029 18.217 ( -1.238 0.000 22.996) 23.029 18.217 ( 1.238 0.000 22.996) 23.029 18.289 ( -0.466 0.000 -24.675) 24.679 18.289 ( 0.466 0.000 -24.675) 24.679 18.289 ( -0.466 0.000 24.675) 24.679 18.289 ( 0.466 0.000 24.675) 24.679 19.836 ( -1.546 0.000 -13.168) 13.259 19.836 ( 1.546 0.000 -13.168) 13.259 19.836 ( -1.546 0.000 13.168) 13.259 19.836 ( 1.546 0.000 13.168) 13.259 19.979 ( -1.548 0.000 -6.320) 6.507 19.979 ( 1.548 0.000 -6.320) 6.507 19.979 ( -1.548 0.000 6.320) 6.507 19.979 ( 1.548 0.000 6.320) 6.507 20.462 ( -1.831 0.000 -21.993) 22.069 20.462 ( 1.831 0.000 -21.993) 22.069 20.462 ( -1.831 0.000 21.993) 22.069 20.462 ( 1.831 0.000 21.993) 22.069 20.610 ( -1.974 0.000 -22.148) 22.236 20.610 ( 1.974 0.000 -22.148) 22.236 20.610 ( -1.974 0.000 22.148) 22.236 20.610 ( 1.974 0.000 22.148) 22.236 22.405 ( -1.039 0.000 -0.510) 1.157 22.405 ( 1.039 0.000 -0.510) 1.157 22.405 ( -1.039 0.000 0.510) 1.157 22.405 ( 1.039 0.000 0.510) 1.157 22.523 ( -1.600 0.000 -0.154) 1.607 22.523 ( 1.600 0.000 -0.154) 1.607 22.523 ( -1.600 0.000 0.154) 1.607 22.523 ( 1.600 0.000 0.154) 1.607 25.671 ( -2.488 0.000 -9.720) 10.034 25.671 ( 2.488 0.000 -9.720) 10.034 25.671 ( -2.488 0.000 9.720) 10.034 25.671 ( 2.488 0.000 9.720) 10.034 25.705 ( -2.582 0.000 -8.698) 9.073 25.705 ( 2.582 0.000 -8.698) 9.073 25.705 ( -2.582 0.000 8.698) 9.073 25.705 ( 2.582 0.000 8.698) 9.073 27.292 ( -0.271 0.000 -0.883) 0.923 27.292 ( 0.271 0.000 -0.883) 0.923 27.292 ( -0.271 0.000 0.883) 0.923 27.292 ( 0.271 0.000 0.883) 0.923 27.476 ( -0.322 0.000 -5.385) 5.395 27.476 ( 0.322 0.000 -5.385) 5.395 27.476 ( -0.322 0.000 5.385) 5.395 27.476 ( 0.322 0.000 5.385) 5.395 29.935 ( -2.133 0.000 -1.682) 2.717 29.935 ( 2.133 0.000 -1.682) 2.717 29.935 ( -2.133 0.000 1.682) 2.717 29.935 ( 2.133 0.000 1.682) 2.717 30.623 ( -2.602 0.000 -0.702) 2.695 30.623 ( 2.602 0.000 -0.702) 2.695 30.623 ( -2.602 0.000 0.702) 2.695 30.623 ( 2.602 0.000 0.702) 2.695 31.633 ( -0.298 0.000 -5.089) 5.097 31.633 ( 0.298 0.000 -5.089) 5.097 31.633 ( -0.298 0.000 5.089) 5.097 31.633 ( 0.298 0.000 5.089) 5.097 31.761 ( -0.880 0.000 -4.907) 4.985 31.761 ( 0.880 0.000 -4.907) 4.985 31.761 ( -0.880 0.000 4.907) 4.985 31.761 ( 0.880 0.000 4.907) 4.985 39.981 ( -8.006 0.000 -5.124) 9.505 39.981 ( 8.006 0.000 -5.124) 9.505 39.981 ( -8.006 0.000 5.124) 9.505 39.981 ( 8.006 0.000 5.124) 9.505 40.025 ( -12.189 0.000 -6.222) 13.686 40.025 ( 12.189 0.000 -6.222) 13.686 40.025 ( -12.189 0.000 6.222) 13.686 40.025 ( 12.189 0.000 6.222) 13.686 41.571 ( -2.173 0.000 -0.696) 2.281 41.571 ( 2.173 0.000 -0.696) 2.281 41.571 ( -2.173 0.000 0.696) 2.281 41.571 ( 2.173 0.000 0.696) 2.281 42.191 ( -2.758 0.000 -5.309) 5.983 42.191 ( 2.758 0.000 -5.309) 5.983 42.191 ( -2.758 0.000 5.309) 5.983 42.191 ( 2.758 0.000 5.309) 5.983 ======================= Grid point 189 (65/72) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 0.000 0.824 -8.966) 9.004 3.320 ( 0.000 0.824 8.966) 9.004 3.350 ( 0.000 -0.140 -7.776) 7.778 3.350 ( 0.000 -0.140 7.776) 7.778 3.526 ( 0.000 2.455 -4.596) 5.210 3.526 ( 0.000 2.455 4.596) 5.210 3.663 ( 0.000 -3.371 -5.779) 6.690 3.663 ( 0.000 -3.371 5.779) 6.690 4.190 ( 0.000 5.312 -30.291) 30.753 4.190 ( 0.000 5.312 30.291) 30.753 4.554 ( 0.000 -12.852 -31.000) 33.558 4.554 ( 0.000 -12.852 31.000) 33.558 5.056 ( 0.000 9.714 -9.513) 13.596 5.056 ( 0.000 9.714 9.513) 13.596 5.186 ( 0.000 0.800 -11.337) 11.365 5.186 ( 0.000 0.800 11.337) 11.365 5.313 ( 0.000 6.334 -19.959) 20.940 5.313 ( 0.000 6.334 19.959) 20.940 5.607 ( 0.000 3.191 -3.357) 4.632 5.607 ( 0.000 3.191 3.357) 4.632 5.688 ( 0.000 -11.372 -12.991) 17.265 5.688 ( 0.000 -11.372 12.991) 17.265 5.908 ( 0.000 -8.809 -3.949) 9.653 5.908 ( 0.000 -8.809 3.949) 9.653 5.985 ( 0.000 3.609 -2.928) 4.647 5.985 ( 0.000 3.609 2.928) 4.647 6.133 ( 0.000 -2.176 -8.906) 9.168 6.133 ( 0.000 -2.176 8.906) 9.168 6.323 ( 0.000 10.486 -2.740) 10.838 6.323 ( 0.000 10.486 2.740) 10.838 6.551 ( 0.000 -1.553 -8.811) 8.947 6.551 ( 0.000 -1.553 8.812) 8.947 6.573 ( 0.000 2.306 -27.604) 27.700 6.573 ( 0.000 2.306 27.604) 27.700 6.742 ( 0.000 -3.662 -26.258) 26.512 6.742 ( 0.000 -3.662 26.258) 26.512 6.979 ( 0.000 1.758 -7.351) 7.559 6.979 ( 0.000 1.758 7.351) 7.559 7.139 ( 0.000 -4.205 -13.272) 13.922 7.139 ( 0.000 -4.205 13.272) 13.922 7.979 ( 0.000 0.943 -9.989) 10.033 7.979 ( 0.000 0.943 9.989) 10.033 8.031 ( 0.000 -1.383 -10.033) 10.128 8.031 ( 0.000 -1.383 10.033) 10.128 8.149 ( 0.000 2.857 -8.742) 9.197 8.149 ( 0.000 2.857 8.742) 9.197 8.223 ( 0.000 -0.670 -9.235) 9.259 8.223 ( 0.000 -0.670 9.235) 9.259 8.884 ( 0.000 2.234 -0.720) 2.347 8.884 ( 0.000 2.234 0.720) 2.347 9.011 ( 0.000 -3.913 -0.811) 3.996 9.011 ( 0.000 -3.913 0.811) 3.996 9.188 ( 0.000 2.167 -0.897) 2.345 9.188 ( 0.000 2.167 0.897) 2.345 9.243 ( 0.000 -0.797 -0.213) 0.825 9.243 ( 0.000 -0.797 0.213) 0.825 11.017 ( 0.000 0.194 -12.259) 12.261 11.017 ( 0.000 0.194 12.259) 12.261 11.022 ( 0.000 -0.016 -9.234) 9.234 11.022 ( 0.000 -0.016 9.234) 9.234 11.231 ( 0.000 0.283 -16.282) 16.285 11.231 ( 0.000 0.283 16.282) 16.285 11.245 ( 0.000 -0.329 -14.106) 14.110 11.245 ( 0.000 -0.329 14.106) 14.110 12.446 ( 0.000 0.132 -20.417) 20.417 12.446 ( 0.000 0.132 20.417) 20.417 12.459 ( 0.000 -0.197 -24.930) 24.931 12.459 ( 0.000 -0.197 24.930) 24.931 12.534 ( 0.000 0.952 -24.856) 24.875 12.534 ( 0.000 0.952 24.856) 24.875 12.577 ( 0.000 -0.857 -20.590) 20.607 12.577 ( 0.000 -0.857 20.590) 20.607 13.084 ( 0.000 1.614 -24.890) 24.943 13.084 ( 0.000 1.614 24.890) 24.943 13.206 ( 0.000 -5.017 -24.289) 24.802 13.206 ( 0.000 -5.017 24.289) 24.802 13.416 ( 0.000 5.861 -23.599) 24.316 13.416 ( 0.000 5.861 23.599) 24.316 13.579 ( 0.000 -2.544 -23.562) 23.699 13.579 ( 0.000 -2.544 23.562) 23.699 15.547 ( 0.000 0.236 -5.619) 5.624 15.547 ( 0.000 0.236 5.619) 5.624 15.564 ( 0.000 -0.597 -6.985) 7.011 15.564 ( 0.000 -0.597 6.985) 7.011 15.663 ( 0.000 1.448 -7.000) 7.149 15.663 ( 0.000 1.448 7.000) 7.149 15.720 ( 0.000 -1.133 -8.979) 9.050 15.720 ( 0.000 -1.133 8.979) 9.050 18.184 ( 0.000 1.487 -22.859) 22.907 18.184 ( 0.000 1.487 22.859) 22.907 18.256 ( 0.000 -1.608 -24.011) 24.065 18.256 ( 0.000 -1.608 24.011) 24.065 18.287 ( 0.000 0.440 -26.543) 26.546 18.287 ( 0.000 0.440 26.543) 26.546 18.310 ( 0.000 -0.553 -27.393) 27.398 18.310 ( 0.000 -0.553 27.393) 27.398 19.782 ( 0.000 1.944 -16.613) 16.727 19.782 ( 0.000 1.944 16.613) 16.727 19.878 ( 0.000 -2.504 -15.488) 15.689 19.878 ( 0.000 -2.504 15.488) 15.689 19.995 ( 0.000 1.312 -5.374) 5.532 19.995 ( 0.000 1.312 5.374) 5.532 20.031 ( 0.000 -0.481 -2.484) 2.530 20.031 ( 0.000 -0.481 2.484) 2.530 20.496 ( 0.000 0.299 -35.852) 35.853 20.496 ( 0.000 0.299 35.852) 35.853 20.509 ( 0.000 -0.261 -39.129) 39.130 20.509 ( 0.000 -0.261 39.129) 39.130 20.701 ( 0.000 0.298 -28.354) 28.356 20.701 ( 0.000 0.298 28.354) 28.356 20.717 ( 0.000 -0.393 -26.231) 26.234 20.717 ( 0.000 -0.393 26.231) 26.234 22.339 ( 0.000 0.424 -1.743) 1.794 22.339 ( 0.000 0.424 1.743) 1.794 22.364 ( 0.000 -0.718 -1.907) 2.038 22.364 ( 0.000 -0.718 1.907) 2.038 22.535 ( 0.000 1.390 -3.124) 3.419 22.535 ( 0.000 1.390 3.124) 3.419 22.591 ( 0.000 -1.093 -2.377) 2.617 22.591 ( 0.000 -1.093 2.377) 2.617 25.470 ( 0.000 1.162 -29.800) 29.822 25.470 ( 0.000 1.162 29.800) 29.822 25.550 ( 0.000 -3.075 -29.829) 29.987 25.550 ( 0.000 -3.075 29.829) 29.987 25.736 ( 0.000 4.626 -29.056) 29.422 25.736 ( 0.000 4.626 29.056) 29.422 25.886 ( 0.000 -2.607 -30.357) 30.469 25.886 ( 0.000 -2.607 30.357) 30.469 27.252 ( 0.000 0.436 -7.487) 7.500 27.252 ( 0.000 0.436 7.487) 7.500 27.270 ( 0.000 -0.313 -5.408) 5.417 27.270 ( 0.000 -0.313 5.408) 5.417 27.470 ( 0.000 0.055 -2.576) 2.577 27.470 ( 0.000 0.055 2.576) 2.577 27.475 ( 0.000 -0.151 -0.845) 0.858 27.475 ( 0.000 -0.151 0.845) 0.858 30.043 ( 0.000 1.198 -24.512) 24.541 30.043 ( 0.000 1.198 24.512) 24.541 30.091 ( 0.000 -0.780 -21.706) 21.720 30.091 ( 0.000 -0.780 21.706) 21.720 30.426 ( 0.000 0.725 -11.972) 11.994 30.426 ( 0.000 0.725 11.972) 11.994 30.475 ( 0.000 -1.352 -8.566) 8.672 30.475 ( 0.000 -1.352 8.566) 8.672 31.595 ( 0.000 0.008 -7.552) 7.552 31.595 ( 0.000 0.008 7.552) 7.552 31.599 ( 0.000 -0.079 -4.272) 4.273 31.599 ( 0.000 -0.079 4.272) 4.273 31.765 ( 0.000 1.254 -9.847) 9.927 31.765 ( 0.000 1.254 9.847) 9.927 31.819 ( 0.000 -1.087 -16.755) 16.790 31.819 ( 0.000 -1.087 16.755) 16.790 39.592 ( 0.000 1.850 -0.216) 1.862 39.592 ( 0.000 1.850 0.216) 1.862 39.693 ( 0.000 -2.659 -0.581) 2.722 39.693 ( 0.000 -2.659 0.581) 2.722 40.404 ( 0.000 4.152 -12.641) 13.305 40.404 ( 0.000 4.152 12.641) 13.305 40.577 ( 0.000 -3.452 -12.766) 13.225 40.577 ( 0.000 -3.452 12.766) 13.225 41.452 ( 0.000 0.820 -1.800) 1.978 41.452 ( 0.000 0.820 1.800) 1.978 41.493 ( 0.000 -0.993 -0.079) 0.996 41.493 ( 0.000 -0.993 0.079) 0.996 42.078 ( 0.000 3.904 -2.853) 4.835 42.078 ( 0.000 3.904 2.853) 4.835 42.253 ( 0.000 -3.739 -7.691) 8.552 42.253 ( 0.000 -3.739 7.691) 8.552 ======================= Grid point 191 (66/72) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -10.224 1.023 -0.000) 10.275 3.229 ( -9.925 0.757 0.000) 9.953 3.250 ( -7.482 -0.708 0.000) 7.515 3.300 ( -6.314 -0.694 -0.000) 6.352 3.330 ( -13.069 0.662 0.000) 13.086 3.442 ( -11.406 4.048 0.000) 12.103 3.472 ( -10.874 -4.526 -0.000) 11.778 3.556 ( -12.932 -0.919 0.000) 12.964 4.209 ( 5.047 1.952 0.000) 5.411 4.343 ( 11.245 8.180 0.000) 13.905 4.513 ( 0.133 -13.369 0.000) 13.369 4.713 ( 10.381 -9.896 -0.000) 14.343 5.020 ( -2.953 7.253 0.000) 7.831 5.032 ( -5.638 6.834 -0.000) 8.860 5.090 ( -2.991 0.314 0.000) 3.008 5.149 ( -5.190 3.245 -0.000) 6.121 5.249 ( 2.496 7.264 -0.000) 7.681 5.313 ( 2.412 3.981 0.000) 4.655 5.523 ( -13.566 -9.964 0.000) 16.832 5.661 ( 2.204 -2.560 -0.000) 3.378 5.768 ( 7.695 -8.502 -0.000) 11.467 5.810 ( 10.877 4.424 0.000) 11.742 5.940 ( 4.912 -1.620 -0.000) 5.172 5.942 ( 2.137 -7.508 0.000) 7.806 6.018 ( -17.641 11.019 0.000) 20.800 6.061 ( 6.884 0.230 0.000) 6.888 6.168 ( 6.228 -6.797 0.000) 9.219 6.176 ( 11.896 5.167 0.000) 12.970 6.296 ( 3.210 -1.303 0.000) 3.464 6.310 ( -0.662 8.673 0.000) 8.698 6.474 ( -2.545 -4.135 0.000) 4.856 6.518 ( 0.115 -0.298 0.000) 0.320 6.594 ( -3.093 1.106 0.000) 3.285 6.635 ( -12.975 2.543 -0.000) 13.222 6.720 ( 8.116 -4.446 0.000) 9.254 6.832 ( 3.113 -2.546 0.000) 4.022 6.937 ( 0.809 0.711 0.000) 1.077 7.031 ( -3.828 2.289 -0.000) 4.461 7.064 ( 6.336 -2.674 -0.000) 6.877 7.109 ( -5.058 -0.703 0.000) 5.106 7.877 ( -2.009 0.462 0.000) 2.061 7.929 ( 0.313 2.680 -0.000) 2.698 7.937 ( -0.110 -2.231 0.000) 2.234 7.994 ( 1.433 0.017 -0.000) 1.433 8.408 ( 15.359 -0.123 -0.000) 15.360 8.416 ( 13.494 -0.144 -0.000) 13.495 8.437 ( 18.503 1.141 0.000) 18.538 8.444 ( 16.079 1.022 0.000) 16.112 8.865 ( -0.107 -0.424 0.000) 0.437 8.913 ( 1.782 1.632 0.000) 2.416 8.920 ( -5.614 -2.898 0.000) 6.318 8.963 ( -3.462 -0.818 0.000) 3.557 9.242 ( 6.559 1.421 0.000) 6.711 9.291 ( 9.036 3.246 0.000) 9.602 9.338 ( 7.405 -2.669 0.000) 7.872 9.377 ( 9.791 -0.808 0.000) 9.824 10.841 ( -11.694 -0.463 0.000) 11.703 10.890 ( -8.798 -2.907 0.000) 9.266 10.929 ( -11.879 4.083 -0.000) 12.561 11.026 ( -7.278 4.025 -0.000) 8.317 11.098 ( -6.632 -4.251 0.000) 7.877 11.167 ( -3.379 -3.028 0.000) 4.537 11.219 ( -5.747 1.960 -0.000) 6.072 11.237 ( -4.277 0.798 0.000) 4.351 12.438 ( -0.151 0.074 0.000) 0.168 12.455 ( 0.405 0.952 -0.000) 1.035 12.457 ( 0.356 -0.720 -0.000) 0.803 12.491 ( 1.773 0.350 0.000) 1.807 12.509 ( -1.450 0.255 -0.000) 1.472 12.535 ( -0.228 1.020 -0.000) 1.045 12.564 ( -0.775 -1.241 0.000) 1.463 12.574 ( -0.622 -0.662 -0.000) 0.908 13.066 ( -0.596 0.642 -0.000) 0.876 13.096 ( 0.305 2.253 0.000) 2.274 13.146 ( -2.937 -3.659 -0.000) 4.691 13.230 ( -0.171 -4.999 0.000) 5.002 13.310 ( -6.127 4.840 -0.000) 7.808 13.432 ( -1.884 5.086 0.000) 5.424 13.476 ( -7.479 -3.752 -0.000) 8.368 13.542 ( -5.066 -0.554 0.000) 5.096 15.567 ( 2.079 0.185 -0.000) 2.088 15.574 ( 1.106 0.485 0.000) 1.208 15.582 ( 3.109 -0.474 0.000) 3.145 15.590 ( 1.969 -0.179 0.000) 1.977 15.703 ( 4.435 0.524 -0.000) 4.466 15.719 ( 3.551 1.120 0.000) 3.724 15.743 ( 3.101 -1.124 -0.000) 3.298 15.756 ( 2.579 -0.521 0.000) 2.631 18.180 ( 0.167 0.950 -0.000) 0.964 18.197 ( 0.851 1.774 0.000) 1.968 18.241 ( -0.762 -1.586 -0.000) 1.760 18.266 ( 0.137 -0.830 0.000) 0.841 18.282 ( -0.320 0.363 0.000) 0.484 18.283 ( -0.417 0.105 -0.000) 0.430 18.303 ( -0.553 -0.662 -0.000) 0.863 18.308 ( -0.277 -0.494 0.000) 0.566 19.789 ( 0.779 1.556 -0.000) 1.740 19.793 ( 0.949 1.695 0.000) 1.943 19.871 ( -0.505 -2.206 0.000) 2.263 19.873 ( -0.603 -2.021 -0.000) 2.109 19.984 ( -1.163 1.261 0.000) 1.716 19.990 ( -0.431 1.368 -0.000) 1.434 20.025 ( -0.737 -0.666 -0.000) 0.994 20.027 ( -0.325 -0.515 0.000) 0.609 20.479 ( -1.873 0.086 -0.000) 1.875 20.487 ( -1.076 0.532 -0.000) 1.200 20.494 ( -0.780 -0.707 0.000) 1.052 20.509 ( 0.487 -0.279 -0.000) 0.562 20.656 ( -3.699 0.467 -0.000) 3.729 20.674 ( -2.482 1.062 0.000) 2.699 20.691 ( -2.213 -0.954 -0.000) 2.410 20.703 ( -1.542 -0.342 0.000) 1.579 22.351 ( 1.176 0.444 -0.000) 1.257 22.351 ( 1.064 0.421 0.000) 1.145 22.375 ( 0.970 -0.723 0.000) 1.210 22.377 ( 1.278 -0.721 -0.000) 1.467 22.521 ( -1.029 1.053 0.000) 1.472 22.535 ( -0.197 1.553 -0.000) 1.565 22.574 ( -1.351 -1.264 -0.000) 1.850 22.586 ( -0.702 -0.744 0.000) 1.023 25.495 ( 2.829 0.640 -0.000) 2.901 25.513 ( 3.513 1.481 0.000) 3.812 25.564 ( 1.991 -3.095 0.000) 3.680 25.588 ( 2.788 -2.440 -0.000) 3.705 25.728 ( -0.575 3.515 0.000) 3.562 25.739 ( -0.026 4.350 -0.000) 4.351 25.849 ( -3.006 -2.447 -0.000) 3.877 25.866 ( -2.351 -1.799 0.000) 2.960 27.249 ( 0.421 -0.397 -0.000) 0.579 27.258 ( -0.153 -0.802 -0.000) 0.817 27.282 ( 1.781 1.074 0.000) 2.079 27.291 ( 1.117 0.677 0.000) 1.307 27.457 ( -0.542 -0.740 0.000) 0.917 27.460 ( -0.714 -0.809 0.000) 1.080 27.486 ( 0.502 0.524 0.000) 0.726 27.488 ( 0.688 0.443 -0.000) 0.818 29.985 ( -3.954 1.513 0.000) 4.233 29.990 ( -3.357 1.657 -0.000) 3.743 30.062 ( -3.749 -1.768 -0.001) 4.145 30.064 ( -2.649 -1.621 0.001) 3.106 30.445 ( 2.751 1.151 -0.000) 2.982 30.476 ( 5.238 2.542 -0.000) 5.822 30.530 ( 3.786 -2.575 0.000) 4.578 30.562 ( 5.801 -1.186 0.000) 5.921 31.597 ( 0.432 -0.150 -0.000) 0.457 31.603 ( 0.550 -0.294 -0.000) 0.624 31.608 ( 0.938 0.199 0.000) 0.959 31.610 ( 0.942 0.098 0.000) 0.947 31.755 ( -0.559 0.712 -0.000) 0.905 31.771 ( 0.094 1.379 0.000) 1.382 31.800 ( -1.350 -1.242 0.000) 1.834 31.815 ( -0.760 -0.571 -0.000) 0.950 39.644 ( 5.227 1.409 -0.000) 5.413 39.650 ( 5.536 1.658 0.000) 5.778 39.728 ( 3.558 -2.341 -0.000) 4.260 39.734 ( 3.896 -2.101 0.000) 4.427 40.322 ( -6.680 3.049 -0.000) 7.343 40.344 ( -6.572 4.048 0.000) 7.719 40.466 ( -8.907 -3.364 -0.000) 9.521 40.491 ( -8.908 -2.357 0.000) 9.215 41.482 ( 2.126 -0.351 0.000) 2.154 41.495 ( 3.651 -0.979 0.000) 3.780 41.511 ( 2.141 1.028 -0.000) 2.375 41.528 ( 2.678 0.391 0.000) 2.706 42.076 ( 0.344 2.010 -0.000) 2.040 42.124 ( 3.475 3.994 0.000) 5.294 42.220 ( -2.335 -4.152 0.000) 4.763 42.265 ( 0.368 -2.163 -0.000) 2.194 ======================= Grid point 193 (67/72) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -9.572 1.192 -0.000) 9.646 2.995 ( -10.442 1.542 0.000) 10.555 3.064 ( -10.703 -2.646 0.000) 11.025 3.077 ( -9.536 -2.599 -0.000) 9.884 3.172 ( -11.647 2.963 0.000) 12.018 3.178 ( -5.975 2.711 -0.000) 6.561 3.266 ( -13.385 -1.736 -0.000) 13.497 3.267 ( -9.483 -1.690 0.000) 9.632 4.371 ( 10.354 -1.702 0.000) 10.493 4.561 ( 4.741 -11.727 0.000) 12.649 4.600 ( 12.979 9.163 -0.000) 15.888 4.834 ( -11.051 2.878 0.000) 11.419 4.860 ( 1.456 -1.030 0.000) 1.783 5.049 ( 6.356 10.228 0.000) 12.042 5.069 ( -10.582 -6.092 0.000) 12.211 5.137 ( 8.908 1.991 0.000) 9.128 5.283 ( -0.006 -0.968 -0.000) 0.968 5.382 ( 7.425 1.812 0.000) 7.643 5.429 ( 7.881 -4.514 -0.000) 9.083 5.657 ( -3.380 -6.300 0.000) 7.150 5.684 ( -11.036 12.537 0.000) 16.703 5.886 ( -5.193 7.415 -0.000) 9.053 5.924 ( 2.661 -5.101 0.000) 5.753 6.016 ( 3.267 -5.161 -0.000) 6.109 6.046 ( 0.282 3.238 0.000) 3.250 6.128 ( -0.343 -1.984 0.000) 2.013 6.151 ( -7.664 -7.400 0.000) 10.653 6.248 ( 1.847 -1.940 0.000) 2.678 6.280 ( -2.272 3.036 -0.000) 3.793 6.364 ( 4.730 4.360 0.000) 6.433 6.421 ( -5.501 -2.039 0.000) 5.867 6.429 ( -2.561 3.633 -0.000) 4.445 6.552 ( 0.719 -3.116 0.000) 3.198 6.641 ( -7.695 -6.416 0.000) 10.019 6.661 ( 5.107 4.563 -0.000) 6.849 6.860 ( -5.201 1.296 0.000) 5.360 6.886 ( 4.253 -2.614 -0.000) 4.992 7.048 ( -1.469 -4.758 0.000) 4.980 7.119 ( 6.484 5.274 -0.000) 8.358 7.189 ( 3.506 1.676 -0.000) 3.886 7.967 ( 9.191 -0.449 -0.000) 9.202 8.025 ( 7.612 -3.032 0.000) 8.194 8.052 ( 10.534 3.311 0.000) 11.042 8.114 ( 8.901 0.741 -0.000) 8.932 8.616 ( 6.645 -0.240 0.000) 6.649 8.662 ( 6.755 -2.451 -0.000) 7.185 8.671 ( 4.726 2.092 0.000) 5.168 8.728 ( 2.488 -0.343 0.000) 2.511 8.873 ( 7.557 0.641 0.000) 7.584 8.925 ( 2.203 2.226 0.000) 3.131 8.933 ( 6.229 -2.090 -0.000) 6.570 8.979 ( 3.294 -0.238 0.000) 3.303 9.412 ( 8.788 -0.735 0.000) 8.819 9.480 ( 5.599 -3.464 0.000) 6.584 9.507 ( 10.762 3.254 0.000) 11.243 9.567 ( 7.826 0.512 0.000) 7.843 10.622 ( -7.639 1.022 -0.000) 7.707 10.663 ( -11.507 3.013 0.000) 11.894 10.710 ( -7.805 -3.044 -0.000) 8.377 10.766 ( -14.002 -1.114 0.000) 14.046 10.997 ( -5.310 0.600 -0.000) 5.344 11.035 ( -11.072 1.646 0.000) 11.194 11.056 ( -7.404 -1.532 -0.000) 7.561 11.075 ( -10.789 -0.424 0.000) 10.798 12.441 ( 0.392 0.296 0.000) 0.491 12.459 ( -0.253 -0.350 0.003) 0.432 12.459 ( 0.160 1.221 -0.003) 1.231 12.481 ( -0.947 0.895 -0.000) 1.303 12.526 ( 1.284 -0.648 -0.000) 1.439 12.539 ( 0.668 0.204 -0.000) 0.698 12.552 ( -0.405 -1.131 -0.000) 1.201 12.561 ( -0.494 -0.593 0.000) 0.772 13.073 ( 1.404 0.106 -0.000) 1.408 13.105 ( 0.913 1.960 0.000) 2.162 13.108 ( -0.576 -1.797 -0.000) 1.887 13.195 ( -3.422 2.015 -0.000) 3.971 13.220 ( -1.751 -2.890 0.000) 3.379 13.323 ( -6.882 -3.444 -0.000) 7.696 13.361 ( -4.268 3.322 0.000) 5.409 13.411 ( -6.918 0.810 0.000) 6.965 15.600 ( 1.492 -0.092 0.000) 1.494 15.622 ( 0.889 -1.116 -0.000) 1.427 15.626 ( 3.202 1.088 0.000) 3.382 15.651 ( 2.857 0.061 0.000) 2.857 15.782 ( 2.588 0.246 -0.000) 2.600 15.798 ( 4.268 0.834 -0.000) 4.348 15.807 ( 1.940 -0.733 0.000) 2.074 15.819 ( 3.387 -0.140 0.000) 3.390 18.190 ( 0.800 0.434 -0.000) 0.910 18.216 ( 1.003 1.696 0.000) 1.970 18.226 ( -0.711 -0.914 -0.000) 1.158 18.257 ( -0.869 0.823 0.000) 1.197 18.274 ( -0.354 -0.420 -0.000) 0.549 18.281 ( 0.231 -0.534 0.000) 0.581 18.289 ( -0.798 -0.821 -0.000) 1.144 18.300 ( -0.549 -0.472 0.000) 0.724 19.811 ( 1.328 0.884 -0.000) 1.596 19.817 ( 1.277 1.023 0.000) 1.636 19.857 ( -0.835 -0.893 0.000) 1.223 19.859 ( -0.737 -1.087 -0.000) 1.313 19.957 ( -1.053 0.412 0.000) 1.131 19.984 ( -0.025 1.251 -0.000) 1.251 19.997 ( -1.940 -1.162 -0.000) 2.262 20.015 ( -0.939 -0.268 0.000) 0.977 20.441 ( -1.402 -0.118 -0.000) 1.407 20.469 ( -1.815 -1.632 -0.000) 2.441 20.473 ( 0.105 1.522 0.000) 1.526 20.530 ( 1.286 -0.159 0.000) 1.296 20.574 ( -3.765 0.370 -0.000) 3.783 20.631 ( -1.214 1.674 0.000) 2.068 20.637 ( -3.003 -1.562 -0.000) 3.385 20.664 ( -2.067 -0.092 0.000) 2.069 22.376 ( 1.335 0.237 0.000) 1.356 22.383 ( 1.888 0.615 0.000) 1.986 22.395 ( 0.754 -0.698 0.000) 1.027 22.409 ( 1.617 -0.360 -0.000) 1.656 22.497 ( -1.123 0.262 0.000) 1.153 22.532 ( 0.065 1.477 0.000) 1.479 22.539 ( -2.083 -1.372 -0.000) 2.494 22.566 ( -1.212 -0.117 0.000) 1.218 25.573 ( 4.667 0.151 -0.000) 4.669 25.598 ( 4.712 1.293 0.000) 4.886 25.619 ( 3.052 -2.277 -0.000) 3.808 25.648 ( 2.821 -1.253 -0.000) 3.086 25.710 ( -1.296 1.557 0.000) 2.025 25.733 ( -0.638 2.765 0.000) 2.838 25.773 ( -4.443 -1.598 -0.000) 4.722 25.799 ( -4.072 -0.507 0.000) 4.103 27.260 ( 0.577 -0.784 -0.000) 0.974 27.264 ( 0.571 -0.959 -0.000) 1.116 27.311 ( 0.973 1.571 0.000) 1.848 27.315 ( 1.138 1.422 0.000) 1.821 27.445 ( -0.413 -1.340 0.000) 1.402 27.452 ( -0.320 -1.554 0.000) 1.587 27.493 ( 0.292 0.880 -0.000) 0.927 27.498 ( 0.261 0.639 0.000) 0.690 29.923 ( -1.863 0.698 0.000) 1.989 29.946 ( -0.741 1.824 -0.000) 1.968 29.976 ( -4.050 -1.662 -0.000) 4.378 30.004 ( -2.877 -0.529 0.000) 2.925 30.512 ( 3.455 -0.411 0.000) 3.479 30.581 ( 0.980 -3.231 0.000) 3.376 30.595 ( 5.588 3.047 0.000) 6.365 30.658 ( 3.121 0.220 0.000) 3.129 31.610 ( 0.800 -0.255 0.000) 0.840 31.617 ( 0.717 -0.487 -0.000) 0.867 31.629 ( 1.087 0.474 0.000) 1.186 31.633 ( 1.120 0.248 0.000) 1.147 31.745 ( -0.324 0.025 0.000) 0.325 31.770 ( -0.140 1.038 -0.000) 1.048 31.771 ( -1.483 -1.019 0.000) 1.799 31.793 ( -1.284 -0.007 -0.000) 1.284 39.793 ( 9.335 0.433 -0.000) 9.345 39.804 ( 9.519 0.928 0.000) 9.565 39.831 ( 6.654 -1.299 -0.000) 6.780 39.843 ( 6.808 -0.812 0.000) 6.857 40.164 ( -8.610 2.039 -0.000) 8.848 40.173 ( -9.683 2.409 0.000) 9.978 40.256 ( -11.494 -2.035 -0.000) 11.673 40.265 ( -12.649 -1.657 0.000) 12.757 41.531 ( 0.896 0.989 0.000) 1.335 41.538 ( 3.575 1.427 0.000) 3.849 41.571 ( 0.514 -0.803 0.000) 0.953 41.584 ( 3.378 -0.331 0.000) 3.394 42.084 ( 0.593 -1.181 0.000) 1.322 42.166 ( -2.931 -4.383 0.000) 5.273 42.200 ( 3.627 3.659 0.000) 5.152 42.271 ( 0.088 0.423 -0.000) 0.432 ======================= Grid point 195 (68/72) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -3.335 0.053 0.000) 3.335 2.913 ( 3.335 0.053 0.000) 3.335 2.918 ( -2.853 0.263 0.000) 2.865 2.918 ( 2.853 0.263 -0.000) 2.865 3.092 ( -3.055 -1.010 0.000) 3.218 3.092 ( 3.055 -1.010 0.000) 3.218 3.135 ( -2.604 0.853 0.000) 2.740 3.135 ( 2.604 0.853 0.000) 2.740 4.576 ( -8.573 -3.778 0.000) 9.369 4.576 ( 8.573 -3.778 0.000) 9.369 4.787 ( -11.594 -7.990 0.000) 14.081 4.787 ( 11.594 -7.990 -0.000) 14.081 4.805 ( -6.613 6.280 -0.000) 9.119 4.805 ( 6.613 6.280 0.000) 9.119 5.206 ( -7.465 11.702 -0.000) 13.880 5.206 ( 7.465 11.702 0.000) 13.880 5.459 ( -9.547 -1.496 0.000) 9.663 5.459 ( 9.547 -1.496 -0.000) 9.663 5.504 ( -10.885 -0.528 -0.000) 10.898 5.504 ( 10.886 -0.528 0.000) 10.898 5.742 ( -12.358 -3.306 -0.000) 12.792 5.742 ( 12.358 -3.306 0.000) 12.792 5.851 ( -9.368 0.862 -0.000) 9.408 5.851 ( 9.368 0.862 0.000) 9.408 6.108 ( -3.373 -3.687 0.000) 4.997 6.108 ( 3.373 -3.687 -0.000) 4.997 6.216 ( -4.231 2.992 -0.000) 5.182 6.216 ( 4.231 2.992 0.000) 5.182 6.278 ( -5.968 -3.207 0.000) 6.775 6.278 ( 5.968 -3.207 -0.000) 6.775 6.432 ( -1.385 3.632 0.000) 3.887 6.432 ( 1.385 3.632 0.000) 3.887 6.567 ( -2.600 -4.297 -0.000) 5.023 6.567 ( 2.600 -4.297 0.000) 5.023 6.743 ( -4.454 4.931 0.000) 6.645 6.743 ( 4.454 4.931 0.000) 6.645 7.002 ( -4.156 -5.627 0.000) 6.995 7.002 ( 4.156 -5.627 0.000) 6.995 7.195 ( -2.066 3.459 0.000) 4.029 7.195 ( 2.066 3.459 0.000) 4.029 8.115 ( -1.921 -1.823 0.000) 2.648 8.115 ( 1.921 -1.823 0.000) 2.648 8.213 ( -2.010 2.451 0.000) 3.170 8.213 ( 2.010 2.451 0.000) 3.170 8.690 ( -1.522 -0.883 0.000) 1.759 8.690 ( 1.522 -0.883 -0.000) 1.759 8.699 ( -0.867 -0.765 -0.000) 1.156 8.699 ( 0.867 -0.765 0.000) 1.156 9.002 ( -2.390 0.506 0.000) 2.443 9.002 ( 2.390 0.506 -0.000) 2.443 9.010 ( -1.800 1.264 -0.000) 2.200 9.010 ( 1.800 1.264 -0.000) 2.200 9.522 ( -1.661 -3.161 0.000) 3.571 9.522 ( 1.661 -3.161 0.000) 3.571 9.639 ( -1.323 2.061 0.000) 2.449 9.639 ( 1.323 2.061 0.000) 2.449 10.574 ( -3.432 -0.246 -0.000) 3.441 10.574 ( 3.432 -0.246 0.000) 3.441 10.601 ( -3.964 0.945 0.000) 4.075 10.601 ( 3.964 0.945 -0.000) 4.075 10.906 ( -2.184 -1.089 -0.000) 2.440 10.906 ( 2.184 -1.089 -0.000) 2.440 10.942 ( -1.770 0.500 0.000) 1.839 10.942 ( 1.770 0.500 0.000) 1.839 12.451 ( -0.530 0.146 -0.000) 0.550 12.451 ( 0.530 0.146 0.000) 0.550 12.467 ( -0.576 1.001 -0.000) 1.155 12.467 ( 0.576 1.001 0.000) 1.154 12.543 ( -0.567 -0.915 -0.000) 1.076 12.543 ( 0.567 -0.915 -0.000) 1.076 12.553 ( -0.475 -0.348 0.000) 0.589 12.553 ( 0.475 -0.348 0.000) 0.589 13.104 ( -0.856 -0.290 -0.000) 0.904 13.104 ( 0.856 -0.290 -0.000) 0.904 13.138 ( -2.269 1.699 0.000) 2.834 13.138 ( 2.269 1.699 0.000) 2.834 13.225 ( -2.582 -2.879 0.000) 3.867 13.225 ( 2.582 -2.879 0.000) 3.867 13.316 ( -1.269 1.615 0.000) 2.054 13.316 ( 1.269 1.615 -0.000) 2.054 15.624 ( -0.689 -0.950 0.000) 1.173 15.624 ( 0.689 -0.950 0.000) 1.173 15.672 ( -0.898 1.179 0.000) 1.482 15.672 ( 0.898 1.179 -0.000) 1.482 15.819 ( -0.796 -0.774 0.000) 1.110 15.819 ( 0.796 -0.774 0.000) 1.110 15.850 ( -0.582 0.636 0.000) 0.861 15.850 ( 0.582 0.636 0.000) 0.861 18.209 ( -0.990 -0.061 -0.000) 0.992 18.209 ( 0.990 -0.061 -0.000) 0.992 18.237 ( -1.057 1.372 0.000) 1.732 18.237 ( 1.057 1.372 0.000) 1.732 18.275 ( -0.457 -0.869 -0.000) 0.982 18.275 ( 0.457 -0.869 -0.000) 0.982 18.289 ( -0.494 -0.503 -0.000) 0.705 18.289 ( 0.494 -0.503 0.000) 0.705 19.838 ( -1.327 0.259 -0.001) 1.352 19.838 ( 1.327 0.259 -0.000) 1.352 19.840 ( -0.986 0.247 0.001) 1.016 19.840 ( 0.986 0.247 0.000) 1.016 19.960 ( -1.343 -1.023 0.000) 1.688 19.960 ( 1.343 -1.023 -0.000) 1.688 19.994 ( -0.973 0.502 0.000) 1.095 19.994 ( 0.973 0.502 0.000) 1.095 20.436 ( -0.962 -0.988 -0.000) 1.379 20.436 ( 0.962 -0.988 0.000) 1.379 20.499 ( -2.459 2.207 0.000) 3.304 20.499 ( 2.459 2.207 -0.000) 3.304 20.579 ( -2.556 -1.944 -0.000) 3.211 20.579 ( 2.556 -1.944 -0.000) 3.211 20.631 ( -1.068 0.781 0.000) 1.323 20.631 ( 1.068 0.781 0.000) 1.323 22.397 ( -0.564 -0.259 0.000) 0.621 22.397 ( 0.564 -0.259 0.000) 0.621 22.417 ( -1.147 0.743 0.000) 1.367 22.417 ( 1.147 0.743 0.000) 1.367 22.499 ( -1.538 -1.240 0.000) 1.975 22.499 ( 1.538 -1.240 0.000) 1.975 22.542 ( -0.968 0.784 0.000) 1.246 22.542 ( 0.968 0.784 0.000) 1.246 25.663 ( -2.387 -0.311 0.000) 2.407 25.663 ( 2.387 -0.311 -0.000) 2.407 25.679 ( -1.486 0.389 0.000) 1.536 25.679 ( 1.486 0.389 -0.000) 1.536 25.686 ( -2.451 -0.863 0.000) 2.599 25.686 ( 2.451 -0.863 -0.000) 2.599 25.724 ( -1.552 0.821 -0.000) 1.756 25.724 ( 1.552 0.821 -0.000) 1.756 27.269 ( -0.176 -0.904 0.000) 0.921 27.269 ( 0.176 -0.904 0.000) 0.921 27.324 ( -0.252 1.749 0.000) 1.767 27.324 ( 0.252 1.749 -0.000) 1.767 27.445 ( -0.289 -1.751 0.000) 1.775 27.445 ( 0.289 -1.751 -0.000) 1.775 27.498 ( -0.212 0.833 -0.000) 0.860 27.498 ( 0.212 0.833 0.000) 0.860 29.918 ( -1.432 -0.638 -0.000) 1.568 29.918 ( 1.432 -0.638 -0.000) 1.568 29.957 ( -1.632 1.109 0.000) 1.973 29.957 ( 1.632 1.109 0.000) 1.973 30.569 ( -1.975 -2.481 0.000) 3.171 30.569 ( 1.975 -2.481 0.000) 3.171 30.672 ( -1.753 2.048 0.000) 2.696 30.672 ( 1.753 2.048 0.000) 2.696 31.623 ( -0.242 -0.407 0.000) 0.473 31.623 ( 0.242 -0.407 -0.000) 0.473 31.644 ( -0.193 0.509 0.000) 0.544 31.644 ( 0.193 0.509 0.000) 0.544 31.747 ( -0.675 -0.611 -0.000) 0.911 31.747 ( 0.675 -0.611 0.000) 0.911 31.773 ( -0.592 0.490 0.000) 0.769 31.773 ( 0.592 0.490 0.000) 0.769 39.981 ( -8.212 0.347 -0.000) 8.219 39.981 ( 8.212 0.347 -0.000) 8.219 39.991 ( -7.816 0.745 0.000) 7.852 39.991 ( 7.816 0.745 0.000) 7.852 40.015 ( -11.131 -0.719 0.000) 11.154 40.015 ( 11.131 -0.719 -0.000) 11.154 40.024 ( -10.770 -0.348 -0.000) 10.776 40.024 ( 10.770 -0.348 0.000) 10.776 41.556 ( -1.426 -0.442 0.000) 1.493 41.556 ( 1.426 -0.442 0.000) 1.493 41.600 ( -1.774 1.622 0.000) 2.404 41.600 ( 1.774 1.622 0.000) 2.404 42.111 ( -2.256 -3.877 0.000) 4.486 42.111 ( 2.256 -3.877 0.000) 4.486 42.256 ( -1.781 2.584 0.000) 3.138 42.256 ( 1.781 2.584 0.000) 3.138 ======================= Grid point 203 (69/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 0.000 -0.996 -8.388) 8.447 3.339 ( 0.000 0.996 -8.388) 8.447 3.339 ( 0.000 -0.996 8.388) 8.447 3.339 ( 0.000 0.996 8.388) 8.447 3.589 ( 0.000 -4.217 -5.684) 7.078 3.589 ( 0.000 4.217 -5.684) 7.078 3.589 ( 0.000 -4.217 5.684) 7.078 3.589 ( 0.000 4.217 5.684) 7.078 4.336 ( 0.000 -10.541 -31.550) 33.264 4.336 ( 0.000 10.541 -31.550) 33.264 4.336 ( 0.000 -10.541 31.550) 33.264 4.336 ( 0.000 10.541 31.550) 33.264 5.177 ( 0.000 -2.941 -2.665) 3.969 5.177 ( 0.000 2.941 -2.665) 3.969 5.177 ( 0.000 -2.941 2.665) 3.969 5.177 ( 0.000 2.941 2.665) 3.969 5.468 ( 0.000 -10.867 -16.288) 19.581 5.468 ( 0.000 10.867 -16.288) 19.581 5.468 ( 0.000 -10.867 16.288) 19.581 5.468 ( 0.000 10.867 16.288) 19.581 5.731 ( 0.000 -9.152 -2.824) 9.578 5.731 ( 0.000 -9.152 2.824) 9.578 5.731 ( 0.000 9.152 -2.824) 9.578 5.731 ( 0.000 9.152 2.824) 9.578 6.069 ( 0.000 -4.516 -7.243) 8.535 6.069 ( 0.000 4.516 -7.243) 8.535 6.069 ( 0.000 -4.516 7.243) 8.535 6.069 ( 0.000 4.516 7.243) 8.535 6.484 ( 0.000 -6.321 -7.253) 9.620 6.484 ( 0.000 6.321 -7.253) 9.620 6.484 ( 0.000 -6.321 7.253) 9.620 6.484 ( 0.000 6.321 7.253) 9.620 6.646 ( 0.000 -5.674 -24.206) 24.862 6.646 ( 0.000 5.674 -24.206) 24.862 6.646 ( 0.000 -5.674 24.206) 24.862 6.646 ( 0.000 5.674 24.206) 24.862 7.047 ( 0.000 -5.225 -9.798) 11.104 7.047 ( 0.000 5.225 -9.798) 11.104 7.047 ( 0.000 -5.225 9.798) 11.104 7.047 ( 0.000 5.225 9.798) 11.104 8.003 ( 0.000 -1.548 -11.153) 11.260 8.003 ( 0.000 1.548 -11.153) 11.260 8.003 ( 0.000 -1.548 11.153) 11.260 8.003 ( 0.000 1.548 11.153) 11.260 8.198 ( 0.000 -2.204 -9.192) 9.452 8.198 ( 0.000 2.204 -9.192) 9.452 8.198 ( 0.000 -2.204 9.192) 9.452 8.198 ( 0.000 2.204 9.192) 9.452 8.939 ( 0.000 -3.708 -0.010) 3.708 8.939 ( 0.000 -3.708 0.010) 3.708 8.939 ( 0.000 3.708 -0.010) 3.708 8.939 ( 0.000 3.708 0.010) 3.708 9.222 ( 0.000 -1.516 -0.452) 1.582 9.222 ( 0.000 -1.516 0.452) 1.582 9.222 ( 0.000 1.516 -0.452) 1.582 9.222 ( 0.000 1.516 0.452) 1.582 11.021 ( 0.000 -0.156 -10.644) 10.645 11.021 ( 0.000 0.156 -10.644) 10.645 11.021 ( 0.000 -0.156 10.644) 10.645 11.021 ( 0.000 0.156 10.644) 10.645 11.238 ( 0.000 -0.438 -15.183) 15.190 11.238 ( 0.000 0.438 -15.183) 15.190 11.238 ( 0.000 -0.438 15.183) 15.190 11.238 ( 0.000 0.438 15.183) 15.190 12.452 ( 0.000 -0.503 -23.214) 23.219 12.452 ( 0.000 0.503 -23.214) 23.219 12.452 ( 0.000 -0.503 23.214) 23.219 12.452 ( 0.000 0.503 23.214) 23.219 12.556 ( 0.000 -1.339 -22.110) 22.150 12.556 ( 0.000 1.339 -22.110) 22.150 12.556 ( 0.000 -1.339 22.110) 22.150 12.556 ( 0.000 1.339 22.110) 22.150 13.129 ( 0.000 -3.368 -24.704) 24.933 13.129 ( 0.000 3.368 -24.704) 24.933 13.129 ( 0.000 -3.368 24.704) 24.933 13.129 ( 0.000 3.368 24.704) 24.933 13.513 ( 0.000 -4.628 -23.550) 24.001 13.513 ( 0.000 4.628 -23.550) 24.001 13.513 ( 0.000 -4.628 23.550) 24.001 13.513 ( 0.000 4.628 23.550) 24.001 15.554 ( 0.000 -0.494 -6.160) 6.179 15.554 ( 0.000 0.494 -6.160) 6.179 15.554 ( 0.000 -0.494 6.160) 6.179 15.554 ( 0.000 0.494 6.160) 6.179 15.693 ( 0.000 -1.731 -8.118) 8.300 15.693 ( 0.000 1.731 -8.118) 8.300 15.693 ( 0.000 -1.731 8.118) 8.300 15.693 ( 0.000 1.731 8.118) 8.300 18.219 ( 0.000 -2.226 -23.303) 23.409 18.219 ( 0.000 2.226 -23.303) 23.409 18.219 ( 0.000 -2.226 23.303) 23.409 18.219 ( 0.000 2.226 23.303) 23.409 18.298 ( 0.000 -0.693 -27.083) 27.092 18.298 ( 0.000 0.693 -27.083) 27.092 18.298 ( 0.000 -0.693 27.083) 27.092 18.298 ( 0.000 0.693 27.083) 27.092 19.827 ( 0.000 -2.859 -16.133) 16.385 19.827 ( 0.000 2.859 -16.133) 16.385 19.827 ( 0.000 -2.859 16.133) 16.385 19.827 ( 0.000 2.859 16.133) 16.385 20.017 ( 0.000 -0.995 -3.807) 3.935 20.017 ( 0.000 0.995 -3.807) 3.935 20.017 ( 0.000 -0.995 3.807) 3.935 20.017 ( 0.000 0.995 3.807) 3.935 20.502 ( 0.000 -0.399 -37.652) 37.655 20.502 ( 0.000 0.399 -37.652) 37.655 20.502 ( 0.000 -0.399 37.652) 37.655 20.502 ( 0.000 0.399 37.652) 37.655 20.708 ( 0.000 -0.498 -27.180) 27.184 20.708 ( 0.000 0.498 -27.180) 27.184 20.708 ( 0.000 -0.498 27.180) 27.184 20.708 ( 0.000 0.498 27.180) 27.184 22.350 ( 0.000 -0.750 -1.849) 1.995 22.350 ( 0.000 0.750 -1.849) 1.995 22.350 ( 0.000 -0.750 1.849) 1.995 22.350 ( 0.000 0.750 1.849) 1.995 22.564 ( 0.000 -1.697 -2.728) 3.213 22.564 ( 0.000 1.697 -2.728) 3.213 22.564 ( 0.000 -1.697 2.728) 3.213 22.564 ( 0.000 1.697 2.728) 3.213 25.501 ( 0.000 -2.257 -29.762) 29.848 25.501 ( 0.000 2.257 -29.762) 29.848 25.501 ( 0.000 -2.257 29.762) 29.848 25.501 ( 0.000 2.257 29.762) 29.848 25.820 ( 0.000 -4.374 -29.752) 30.072 25.820 ( 0.000 4.374 -29.752) 30.072 25.820 ( 0.000 -4.374 29.752) 30.072 25.820 ( 0.000 4.374 29.752) 30.072 27.262 ( 0.000 -0.535 -6.495) 6.517 27.262 ( 0.000 0.535 -6.495) 6.517 27.262 ( 0.000 -0.535 6.495) 6.517 27.262 ( 0.000 0.535 6.495) 6.517 27.472 ( 0.000 -0.153 -0.699) 0.715 27.472 ( 0.000 0.153 -0.699) 0.715 27.472 ( 0.000 -0.153 0.699) 0.715 27.472 ( 0.000 0.153 0.699) 0.715 30.069 ( 0.000 -1.477 -23.399) 23.445 30.069 ( 0.000 1.477 -23.399) 23.445 30.069 ( 0.000 -1.477 23.399) 23.445 30.069 ( 0.000 1.477 23.399) 23.445 30.447 ( 0.000 -1.532 -9.995) 10.112 30.447 ( 0.000 1.532 -9.995) 10.112 30.447 ( 0.000 -1.532 9.995) 10.112 30.447 ( 0.000 1.532 9.995) 10.112 31.596 ( 0.000 -0.137 -6.507) 6.509 31.596 ( 0.000 0.137 -6.507) 6.509 31.596 ( 0.000 -0.137 6.507) 6.509 31.596 ( 0.000 0.137 6.507) 6.509 31.793 ( 0.000 -1.643 -13.870) 13.967 31.793 ( 0.000 1.643 -13.870) 13.967 31.793 ( 0.000 -1.643 13.870) 13.967 31.793 ( 0.000 1.643 13.870) 13.967 39.638 ( 0.000 -3.052 -0.307) 3.068 39.638 ( 0.000 -3.052 0.307) 3.068 39.638 ( 0.000 3.052 -0.307) 3.068 39.638 ( 0.000 3.052 0.307) 3.068 40.494 ( 0.000 -5.229 -12.599) 13.641 40.494 ( 0.000 5.229 -12.599) 13.641 40.494 ( 0.000 -5.229 12.599) 13.641 40.494 ( 0.000 5.229 12.599) 13.641 41.472 ( 0.000 -1.254 -0.895) 1.541 41.472 ( 0.000 1.254 -0.895) 1.541 41.472 ( 0.000 -1.254 0.895) 1.541 41.472 ( 0.000 1.254 0.895) 1.541 42.167 ( 0.000 -5.363 -5.249) 7.504 42.167 ( 0.000 5.363 -5.249) 7.504 42.167 ( 0.000 -5.363 5.249) 7.504 42.167 ( 0.000 5.363 5.249) 7.504 ======================= Grid point 207 (70/72) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( -8.810 -0.514 0.000) 8.825 3.240 ( -8.810 0.514 0.000) 8.825 3.254 ( -10.304 -2.653 0.000) 10.640 3.254 ( -10.304 2.653 -0.000) 10.640 3.389 ( -9.855 -4.348 0.000) 10.772 3.389 ( -9.855 4.348 0.000) 10.772 3.513 ( -12.215 -3.510 0.000) 12.710 3.513 ( -12.215 3.510 -0.000) 12.710 4.307 ( 1.908 -8.782 0.000) 8.987 4.307 ( 1.908 8.782 0.000) 8.987 4.518 ( 12.343 -10.752 -0.000) 16.370 4.518 ( 12.343 10.752 -0.000) 16.370 5.087 ( -2.419 -1.079 -0.000) 2.649 5.087 ( -2.419 1.079 0.000) 2.649 5.149 ( -5.234 -4.390 0.000) 6.831 5.149 ( -5.234 4.390 -0.000) 6.831 5.380 ( -8.863 -5.036 -0.000) 10.194 5.380 ( -8.863 5.036 -0.000) 10.194 5.462 ( 1.723 -14.138 0.000) 14.243 5.462 ( 1.723 14.138 0.000) 14.243 5.797 ( 5.550 -7.221 -0.000) 9.107 5.797 ( 5.550 7.221 -0.000) 9.107 5.898 ( 13.566 -4.164 0.000) 14.191 5.898 ( 13.566 4.164 0.000) 14.191 6.072 ( 2.874 -2.602 0.000) 3.877 6.072 ( 2.874 2.602 -0.000) 3.877 6.190 ( -5.654 -6.121 0.000) 8.333 6.190 ( -5.654 6.121 0.000) 8.333 6.343 ( 1.250 -8.183 0.000) 8.278 6.343 ( 1.250 8.183 0.000) 8.278 6.451 ( -0.559 -6.381 0.000) 6.405 6.451 ( -0.559 6.381 -0.000) 6.405 6.645 ( 3.815 -3.708 0.000) 5.320 6.645 ( 3.815 3.708 0.000) 5.320 6.727 ( -10.894 -6.694 -0.000) 12.786 6.727 ( -10.894 6.694 0.000) 12.786 7.000 ( 10.639 -4.237 0.000) 11.451 7.000 ( 10.639 4.237 -0.000) 11.451 7.076 ( -4.348 -2.513 -0.000) 5.022 7.076 ( -4.348 2.513 0.000) 5.022 7.899 ( -1.670 -1.814 -0.000) 2.466 7.899 ( -1.670 1.814 0.000) 2.466 7.974 ( 1.188 -2.031 0.000) 2.353 7.974 ( 1.188 2.031 -0.000) 2.353 8.412 ( 13.780 -0.353 -0.000) 13.784 8.412 ( 13.780 0.353 -0.000) 13.784 8.452 ( 18.013 -0.254 0.000) 18.015 8.452 ( 18.013 0.254 0.000) 18.015 8.875 ( -3.383 -1.664 0.000) 3.770 8.875 ( -3.383 1.664 0.000) 3.770 8.941 ( -0.428 -1.436 0.000) 1.499 8.941 ( -0.428 1.436 0.000) 1.499 9.285 ( 6.309 -2.942 0.000) 6.962 9.285 ( 6.309 2.942 0.000) 6.962 9.346 ( 9.765 -2.540 0.000) 10.090 9.346 ( 9.765 2.540 0.000) 10.090 10.850 ( -10.439 -1.445 0.000) 10.539 10.850 ( -10.439 1.445 0.000) 10.539 11.010 ( -11.526 -4.653 0.000) 12.429 11.010 ( -11.526 4.653 0.000) 12.429 11.104 ( -2.930 -3.800 -0.000) 4.798 11.104 ( -2.930 3.800 0.000) 4.798 11.240 ( -4.969 -0.484 -0.000) 4.993 11.240 ( -4.969 0.484 0.000) 4.993 12.445 ( 0.127 -0.630 0.000) 0.642 12.445 ( 0.127 0.630 -0.000) 0.642 12.476 ( 1.056 -1.241 -0.000) 1.630 12.476 ( 1.056 1.241 0.000) 1.630 12.535 ( -1.030 -1.797 -0.000) 2.071 12.535 ( -1.030 1.797 -0.000) 2.071 12.556 ( -0.522 -1.166 0.000) 1.277 12.556 ( -0.522 1.166 0.000) 1.277 13.092 ( -1.547 -2.234 -0.000) 2.717 13.092 ( -1.547 2.234 -0.000) 2.717 13.150 ( 0.305 -3.726 0.000) 3.738 13.150 ( 0.305 3.726 0.000) 3.738 13.398 ( -7.335 -4.706 -0.000) 8.715 13.398 ( -7.335 4.706 -0.000) 8.715 13.508 ( -3.371 -3.154 0.000) 4.616 13.508 ( -3.371 3.154 0.000) 4.616 15.573 ( 2.790 -0.433 -0.000) 2.824 15.573 ( 2.790 0.433 -0.000) 2.824 15.583 ( 1.339 -0.518 0.000) 1.436 15.583 ( 1.339 0.518 0.000) 1.436 15.721 ( 3.918 -1.243 -0.000) 4.110 15.721 ( 3.918 1.243 -0.000) 4.110 15.740 ( 2.966 -1.102 0.000) 3.165 15.740 ( 2.967 1.102 0.000) 3.165 18.207 ( -0.348 -1.869 -0.000) 1.902 18.207 ( -0.348 1.869 -0.000) 1.902 18.235 ( 0.769 -2.149 0.000) 2.282 18.235 ( 0.769 2.149 0.000) 2.282 18.290 ( -0.613 -0.617 0.000) 0.870 18.290 ( -0.613 0.617 -0.000) 0.870 18.295 ( -0.349 -0.853 -0.000) 0.921 18.295 ( -0.349 0.853 0.000) 0.921 19.827 ( 0.135 -2.466 -0.000) 2.470 19.827 ( 0.135 2.466 0.000) 2.470 19.831 ( 0.252 -2.360 0.000) 2.373 19.831 ( 0.252 2.360 -0.000) 2.373 20.008 ( -1.101 -1.190 0.000) 1.621 20.008 ( -1.101 1.190 -0.000) 1.621 20.013 ( -0.360 -1.067 -0.000) 1.126 20.013 ( -0.360 1.067 0.000) 1.126 20.484 ( -1.597 -0.424 -0.000) 1.652 20.484 ( -1.597 0.424 -0.000) 1.652 20.499 ( -0.259 -0.708 0.000) 0.754 20.499 ( -0.259 0.708 -0.000) 0.754 20.671 ( -2.970 -1.115 -0.000) 3.172 20.671 ( -2.970 1.115 -0.000) 3.172 20.692 ( -1.756 -0.883 0.000) 1.965 20.692 ( -1.756 0.883 0.000) 1.965 22.361 ( 1.002 -0.713 -0.000) 1.230 22.361 ( 1.002 0.713 0.000) 1.230 22.362 ( 1.257 -0.804 -0.000) 1.492 22.362 ( 1.257 0.804 -0.000) 1.492 22.547 ( -1.327 -1.611 0.000) 2.087 22.547 ( -1.327 1.611 -0.000) 2.087 22.564 ( -0.320 -1.534 -0.000) 1.567 22.564 ( -0.320 1.534 0.000) 1.567 25.518 ( 2.379 -1.952 -0.000) 3.078 25.518 ( 2.379 1.952 0.000) 3.078 25.546 ( 3.389 -2.135 0.000) 4.005 25.546 ( 3.389 2.135 -0.000) 4.005 25.794 ( -2.043 -3.522 0.000) 4.072 25.794 ( -2.043 3.522 -0.000) 4.072 25.814 ( -1.153 -3.716 -0.000) 3.891 25.814 ( -1.153 3.716 0.000) 3.891 27.248 ( -0.088 -0.292 -0.000) 0.305 27.248 ( -0.088 0.292 -0.000) 0.305 27.295 ( 1.853 -0.311 0.000) 1.879 27.295 ( 1.853 0.311 0.000) 1.879 27.451 ( -1.031 -0.093 0.000) 1.035 27.451 ( -1.031 0.093 0.000) 1.035 27.491 ( 0.779 -0.065 0.000) 0.781 27.491 ( 0.779 0.065 0.000) 0.781 30.022 ( -4.053 -2.355 -0.000) 4.687 30.022 ( -4.053 2.355 -0.001) 4.687 30.027 ( -2.920 -2.256 0.000) 3.690 30.027 ( -2.920 2.256 0.001) 3.690 30.480 ( 2.928 -2.618 -0.000) 3.927 30.480 ( 2.928 2.618 0.000) 3.927 30.526 ( 6.044 -2.626 0.000) 6.590 30.526 ( 6.044 2.626 0.000) 6.590 31.598 ( 0.403 -0.181 -0.000) 0.442 31.598 ( 0.403 0.181 -0.000) 0.442 31.610 ( 1.031 -0.065 0.000) 1.033 31.610 ( 1.031 0.065 -0.000) 1.033 31.775 ( -1.096 -1.403 -0.000) 1.780 31.775 ( -1.096 1.403 0.000) 1.780 31.797 ( -0.226 -1.346 0.000) 1.365 31.797 ( -0.226 1.346 -0.000) 1.365 39.681 ( 4.395 -2.524 -0.000) 5.068 39.681 ( 4.395 2.524 -0.000) 5.068 39.689 ( 4.846 -2.554 0.000) 5.477 39.689 ( 4.846 2.554 0.000) 5.477 40.393 ( -7.853 -4.355 -0.000) 8.980 40.393 ( -7.853 4.355 -0.000) 8.980 40.426 ( -7.776 -4.480 0.000) 8.974 40.426 ( -7.776 4.480 0.000) 8.974 41.482 ( 3.091 -0.371 -0.000) 3.114 41.482 ( 3.091 0.371 0.000) 3.114 41.527 ( 2.450 -0.567 -0.000) 2.514 41.527 ( 2.450 0.567 0.000) 2.514 42.138 ( -1.721 -4.466 -0.000) 4.786 42.138 ( -1.721 4.466 0.000) 4.786 42.203 ( 2.376 -4.271 0.000) 4.888 42.203 ( 2.376 4.271 -0.000) 4.888 ======================= Grid point 211 (71/72) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -9.681 -2.239 0.000) 9.937 3.019 ( -9.681 2.239 0.000) 9.937 3.031 ( -10.211 -2.375 0.000) 10.483 3.031 ( -10.211 2.375 -0.000) 10.483 3.225 ( -13.148 -2.733 0.000) 13.429 3.225 ( -13.148 2.733 0.000) 13.429 3.227 ( -7.121 -2.616 -0.001) 7.587 3.227 ( -7.121 2.616 0.000) 7.587 4.403 ( 7.354 -5.371 0.000) 9.106 4.403 ( 7.354 5.371 0.000) 9.106 4.765 ( 10.194 -8.351 -0.000) 13.177 4.765 ( 10.194 8.351 -0.000) 13.177 4.932 ( -14.670 -7.419 0.000) 16.439 4.932 ( -14.670 7.419 0.000) 16.439 5.151 ( 8.896 -1.727 -0.000) 9.062 5.151 ( 8.896 1.727 0.000) 9.062 5.334 ( 5.027 -5.105 0.000) 7.165 5.334 ( 5.027 5.105 0.000) 7.165 5.505 ( 1.591 -9.809 -0.000) 9.937 5.505 ( 1.591 9.809 0.000) 9.937 5.863 ( -6.781 -4.008 -0.000) 7.877 5.863 ( -6.781 4.008 0.000) 7.877 5.993 ( -0.538 -6.704 -0.000) 6.725 5.993 ( -0.538 6.704 0.000) 6.725 6.014 ( -7.771 -6.091 0.000) 9.874 6.014 ( -7.771 6.091 -0.000) 9.874 6.165 ( 8.385 -5.387 -0.000) 9.967 6.165 ( 8.385 5.387 0.000) 9.967 6.358 ( -5.494 -4.483 0.000) 7.091 6.358 ( -5.494 4.483 0.000) 7.091 6.459 ( 0.640 -4.314 0.000) 4.361 6.459 ( 0.640 4.314 -0.000) 4.361 6.534 ( -3.985 -4.636 -0.000) 6.114 6.534 ( -3.985 4.636 -0.000) 6.114 6.758 ( 5.731 -6.036 0.000) 8.323 6.758 ( 5.731 6.036 0.000) 8.323 6.963 ( -4.327 -4.755 0.000) 6.429 6.963 ( -4.327 4.755 0.000) 6.429 7.186 ( 5.227 -2.035 -0.000) 5.610 7.186 ( 5.227 2.035 -0.000) 5.610 7.980 ( 8.197 -1.756 -0.000) 8.383 7.980 ( 8.197 1.756 0.000) 8.383 8.103 ( 10.109 -1.940 0.000) 10.293 8.103 ( 10.109 1.940 -0.000) 10.293 8.627 ( 6.525 -1.345 0.000) 6.662 8.627 ( 6.525 1.345 -0.000) 6.662 8.706 ( 2.058 -1.728 -0.000) 2.687 8.706 ( 2.058 1.728 0.000) 2.687 8.898 ( 8.820 -1.785 0.000) 8.999 8.898 ( 8.820 1.785 -0.000) 8.999 8.961 ( 2.721 -1.607 -0.000) 3.160 8.961 ( 2.721 1.607 0.000) 3.160 9.426 ( 6.379 -2.151 0.000) 6.732 9.426 ( 6.379 2.151 0.000) 6.732 9.555 ( 9.475 -1.793 0.000) 9.643 9.555 ( 9.475 1.793 0.000) 9.643 10.656 ( -6.904 -2.623 -0.000) 7.386 10.656 ( -6.904 2.623 -0.000) 7.386 10.723 ( -13.578 -3.279 0.000) 13.968 10.723 ( -13.578 3.279 0.000) 13.968 11.023 ( -5.625 -1.943 -0.000) 5.951 11.023 ( -5.625 1.943 -0.000) 5.951 11.061 ( -11.655 -1.149 0.000) 11.712 11.061 ( -11.655 1.149 0.000) 11.712 12.450 ( 0.278 -0.627 0.000) 0.686 12.450 ( 0.278 0.627 -0.000) 0.686 12.482 ( -0.204 -1.004 -0.000) 1.024 12.482 ( -0.204 1.004 0.000) 1.024 12.529 ( 0.202 -1.138 0.000) 1.156 12.529 ( 0.202 1.139 -0.000) 1.156 12.548 ( -0.125 -0.693 0.000) 0.705 12.548 ( -0.125 0.694 0.000) 0.705 13.083 ( 0.788 -0.995 -0.000) 1.269 13.083 ( 0.788 0.995 -0.000) 1.269 13.151 ( 0.215 -3.037 0.000) 3.045 13.151 ( 0.215 3.037 0.000) 3.045 13.260 ( -5.824 -3.446 -0.000) 6.767 13.260 ( -5.824 3.446 -0.000) 6.767 13.406 ( -5.840 -1.445 0.000) 6.017 13.406 ( -5.840 1.445 0.000) 6.017 15.605 ( 0.876 -0.675 0.000) 1.106 15.605 ( 0.876 0.675 -0.000) 1.106 15.644 ( 3.476 -0.793 0.000) 3.566 15.644 ( 3.476 0.793 0.000) 3.566 15.792 ( 1.886 -0.767 -0.000) 2.036 15.792 ( 1.886 0.767 -0.000) 2.036 15.812 ( 4.096 -0.636 0.000) 4.145 15.812 ( 4.096 0.636 0.000) 4.145 18.206 ( 0.205 -1.175 -0.000) 1.193 18.206 ( 0.205 1.175 -0.000) 1.193 18.249 ( 0.599 -1.636 0.000) 1.742 18.249 ( 0.599 1.636 0.000) 1.742 18.275 ( -0.805 -0.526 -0.000) 0.962 18.275 ( -0.805 0.526 -0.000) 0.962 18.285 ( -0.578 -0.938 0.000) 1.102 18.285 ( -0.578 0.938 0.000) 1.102 19.834 ( 0.529 -1.520 -0.000) 1.610 19.834 ( 0.529 1.520 0.000) 1.610 19.838 ( 0.362 -1.207 0.000) 1.260 19.838 ( 0.362 1.207 -0.000) 1.260 19.974 ( -1.972 -1.263 0.000) 2.342 19.974 ( -1.972 1.263 -0.000) 2.342 20.004 ( -0.480 -0.911 0.000) 1.030 20.004 ( -0.480 0.911 0.000) 1.030 20.447 ( -1.757 -0.776 -0.000) 1.921 20.447 ( -1.757 0.776 0.000) 1.921 20.504 ( 0.955 -1.851 0.000) 2.083 20.504 ( 0.955 1.851 0.000) 2.083 20.603 ( -3.502 -2.019 -0.000) 4.043 20.603 ( -3.502 2.019 -0.000) 4.043 20.655 ( -1.579 -0.962 0.000) 1.849 20.655 ( -1.579 0.962 0.000) 1.849 22.383 ( 1.020 -0.525 0.000) 1.148 22.383 ( 1.020 0.525 0.000) 1.148 22.397 ( 2.010 -0.865 -0.000) 2.189 22.397 ( 2.010 0.865 -0.000) 2.189 22.513 ( -1.924 -1.322 0.000) 2.335 22.513 ( -1.924 1.322 0.000) 2.335 22.555 ( -0.479 -1.000 -0.000) 1.109 22.555 ( -0.479 1.000 0.000) 1.109 25.586 ( 4.036 -1.288 0.000) 4.236 25.586 ( 4.036 1.288 0.000) 4.236 25.623 ( 4.004 -1.413 0.000) 4.246 25.623 ( 4.004 1.413 -0.000) 4.246 25.741 ( -3.147 -1.801 0.000) 3.626 25.741 ( -3.147 1.801 0.000) 3.626 25.777 ( -2.519 -1.926 -0.000) 3.171 25.777 ( -2.519 1.926 0.000) 3.171 27.254 ( 0.529 -0.128 0.000) 0.544 27.254 ( 0.529 0.128 -0.000) 0.544 27.329 ( 1.376 -0.166 0.000) 1.386 27.329 ( 1.376 0.166 0.000) 1.386 27.433 ( -0.727 -0.221 0.000) 0.760 27.433 ( -0.727 0.221 0.000) 0.760 27.502 ( 0.348 -0.171 0.000) 0.388 27.502 ( 0.348 0.171 0.000) 0.388 29.945 ( -3.077 -1.600 -0.000) 3.468 29.945 ( -3.077 1.600 -0.000) 3.468 29.982 ( -1.400 -1.809 0.000) 2.288 29.982 ( -1.400 1.809 0.000) 2.288 30.529 ( 1.635 -2.162 0.000) 2.711 30.529 ( 1.635 2.162 0.000) 2.711 30.642 ( 4.711 -1.909 0.000) 5.083 30.642 ( 4.711 1.909 0.000) 5.083 31.610 ( 0.719 -0.213 0.000) 0.750 31.610 ( 0.719 0.213 -0.000) 0.750 31.634 ( 1.219 -0.120 0.000) 1.224 31.634 ( 1.219 0.120 0.000) 1.224 31.753 ( -1.002 -0.797 0.000) 1.280 31.753 ( -1.002 0.797 0.000) 1.280 31.786 ( -0.718 -0.708 -0.000) 1.008 31.786 ( -0.718 0.708 0.000) 1.008 39.807 ( 8.057 -1.146 -0.000) 8.138 39.807 ( 8.057 1.146 -0.000) 8.138 39.823 ( 8.303 -1.179 0.000) 8.386 39.823 ( 8.303 1.179 0.000) 8.386 40.211 ( -9.923 -2.805 0.000) 10.312 40.211 ( -9.923 2.805 -0.000) 10.312 40.223 ( -11.490 -2.816 -0.000) 11.830 40.223 ( -11.490 2.816 0.000) 11.830 41.552 ( 0.292 -1.194 -0.000) 1.229 41.552 ( 0.292 1.194 0.000) 1.229 41.567 ( 4.341 -1.496 0.000) 4.591 41.567 ( 4.341 1.496 0.000) 4.591 42.097 ( -2.088 -2.633 0.000) 3.360 42.097 ( -2.088 2.633 0.000) 3.360 42.254 ( 2.325 -2.132 0.000) 3.155 42.254 ( 2.325 2.132 0.000) 3.155 ======================= Grid point 215 (72/72) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 0.000 -0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.083 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 -0.000 0.000) 0.000 3.143 ( -0.000 0.000 0.000) 0.000 4.543 ( -0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.710 ( -0.000 -0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.869 ( 0.000 0.000 -0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 5.334 ( -0.000 -0.000 -0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.445 ( -0.000 0.000 -0.001) 0.001 5.445 ( 0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 -0.000) 0.000 5.487 ( 0.000 0.000 0.001) 0.001 5.711 ( 0.000 -0.000 -0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 6.060 ( 0.000 -0.000 0.000) 0.000 6.060 ( 0.000 0.000 0.000) 0.000 6.248 ( -0.000 0.000 -0.001) 0.001 6.248 ( 0.000 0.000 0.001) 0.001 6.251 ( 0.000 0.000 -0.001) 0.001 6.251 ( 0.000 0.000 0.001) 0.001 6.493 ( 0.000 -0.000 -0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.498 ( -0.000 -0.000 0.000) 0.000 6.498 ( -0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 -0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 -0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 8.098 ( 0.000 0.000 0.000) 0.000 8.098 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.681 ( 0.000 0.000 -0.000) 0.000 8.681 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 -0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 9.007 ( 0.000 0.000 -0.000) 0.000 9.007 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 -0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 10.572 ( 0.000 0.000 -0.000) 0.000 10.572 ( 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 10.895 ( -0.000 0.000 -0.000) 0.000 10.895 ( 0.000 0.000 -0.000) 0.000 10.946 ( 0.000 0.000 0.000) 0.000 10.946 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 -0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.479 ( 0.000 -0.000 -0.000) 0.000 12.479 ( 0.000 0.000 0.000) 0.000 12.531 ( 0.000 0.000 -0.000) 0.000 12.531 ( 0.000 0.000 0.000) 0.000 12.548 ( 0.000 0.000 -0.000) 0.000 12.548 ( 0.000 0.000 0.000) 0.000 13.102 ( 0.000 0.000 -0.000) 0.000 13.102 ( 0.000 0.000 0.000) 0.000 13.175 ( -0.000 -0.000 0.000) 0.000 13.175 ( 0.000 -0.000 0.000) 0.000 13.177 ( -0.000 0.000 -0.000) 0.000 13.177 ( 0.000 0.000 -0.000) 0.000 13.331 ( 0.000 0.000 -0.000) 0.000 13.331 ( 0.000 0.000 0.000) 0.000 15.615 ( 0.000 0.000 0.000) 0.000 15.615 ( 0.000 0.000 0.000) 0.000 15.684 ( 0.000 0.000 -0.000) 0.000 15.684 ( 0.000 0.000 0.000) 0.000 15.811 ( 0.000 0.000 -0.000) 0.000 15.811 ( 0.000 0.000 0.000) 0.000 15.856 ( 0.000 0.000 0.000) 0.000 15.856 ( 0.000 0.000 0.000) 0.000 18.210 ( 0.000 0.000 -0.000) 0.000 18.210 ( 0.000 0.000 -0.000) 0.000 18.256 ( 0.000 0.000 0.000) 0.000 18.256 ( 0.000 -0.000 0.000) 0.000 18.265 ( 0.000 0.000 -0.001) 0.001 18.265 ( 0.000 0.000 0.000) 0.000 18.278 ( -0.000 0.000 -0.000) 0.000 18.278 ( 0.000 0.000 0.001) 0.001 19.842 ( 0.000 0.000 -0.004) 0.004 19.842 ( 0.000 0.000 -0.000) 0.000 19.842 ( 0.000 0.000 0.000) 0.000 19.842 ( 0.000 0.000 0.004) 0.004 19.949 ( 0.000 0.000 -0.000) 0.000 19.949 ( 0.000 0.000 0.000) 0.000 19.998 ( 0.000 -0.000 -0.000) 0.000 19.998 ( 0.000 0.000 0.000) 0.000 20.427 ( 0.000 0.000 -0.000) 0.000 20.427 ( 0.000 0.000 0.000) 0.000 20.535 ( 0.000 0.000 -0.000) 0.000 20.535 ( -0.000 -0.000 0.000) 0.000 20.546 ( -0.000 0.000 -0.000) 0.000 20.546 ( 0.000 0.000 -0.000) 0.000 20.638 ( 0.000 0.000 0.000) 0.000 20.638 ( 0.000 0.000 0.000) 0.000 22.395 ( 0.000 0.000 0.000) 0.000 22.395 ( 0.000 0.000 0.000) 0.000 22.426 ( 0.000 0.000 0.000) 0.000 22.426 ( 0.000 0.000 0.000) 0.000 22.485 ( 0.000 0.000 0.000) 0.000 22.485 ( -0.000 -0.000 0.000) 0.000 22.550 ( 0.000 0.000 0.000) 0.000 22.550 ( 0.000 0.000 0.000) 0.000 25.660 ( -0.000 0.000 -0.000) 0.000 25.660 ( -0.000 -0.000 0.000) 0.000 25.677 ( 0.000 0.000 -0.001) 0.001 25.677 ( 0.000 0.000 0.001) 0.001 25.683 ( -0.000 0.000 -0.001) 0.001 25.683 ( 0.000 0.000 0.001) 0.001 25.732 ( 0.000 0.000 -0.000) 0.000 25.732 ( 0.000 0.000 0.000) 0.000 27.261 ( 0.000 0.000 -0.000) 0.000 27.261 ( 0.000 0.000 0.000) 0.000 27.344 ( 0.000 0.000 -0.000) 0.000 27.344 ( 0.000 0.000 0.000) 0.000 27.424 ( 0.000 -0.000 0.000) 0.000 27.424 ( 0.000 0.000 0.000) 0.000 27.506 ( 0.000 0.000 -0.000) 0.000 27.506 ( 0.000 0.000 0.000) 0.000 29.913 ( 0.000 0.000 -0.000) 0.000 29.913 ( 0.000 0.000 -0.000) 0.000 29.969 ( 0.000 0.000 0.000) 0.000 29.969 ( 0.000 0.000 0.000) 0.000 30.545 ( 0.000 0.000 0.000) 0.000 30.545 ( 0.000 0.000 0.000) 0.000 30.692 ( 0.000 0.000 0.000) 0.000 30.692 ( 0.000 0.000 0.000) 0.000 31.619 ( 0.000 0.000 0.000) 0.000 31.619 ( 0.000 0.000 0.000) 0.000 31.649 ( 0.000 0.000 -0.000) 0.000 31.649 ( 0.000 0.000 0.000) 0.000 31.741 ( 0.000 0.000 -0.000) 0.000 31.741 ( 0.000 0.000 0.000) 0.000 31.777 ( 0.000 0.000 -0.000) 0.000 31.777 ( 0.000 0.000 0.000) 0.000 39.988 ( 0.000 0.000 -0.000) 0.000 39.988 ( 0.000 0.000 -0.000) 0.000 40.001 ( -0.000 0.000 -0.000) 0.000 40.001 ( 0.000 0.000 0.000) 0.000 40.005 ( -0.000 0.000 -0.000) 0.000 40.005 ( -0.000 -0.000 0.000) 0.000 40.018 ( -0.000 0.000 0.000) 0.000 40.018 ( 0.000 0.000 0.000) 0.000 41.553 ( 0.000 0.000 0.000) 0.000 41.553 ( 0.000 0.000 0.000) 0.000 41.617 ( 0.000 0.000 0.000) 0.000 41.617 ( 0.000 0.000 0.000) 0.000 42.072 ( 0.000 0.000 0.000) 0.000 42.072 ( 0.000 0.000 0.000) 0.000 42.280 ( 0.000 0.000 0.000) 0.000 42.280 ( 0.000 0.000 0.000) 0.000 =================== 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 3/40320 10.0 1362.270 2551.389 1028.717 0.000 0.000 -0.000 3/40320 20.0 418.243 358.612 409.330 0.000 0.000 -0.000 3/40320 30.0 152.743 129.335 193.936 0.000 0.000 -0.000 3/40320 40.0 75.697 63.496 106.825 0.000 0.000 -0.000 3/40320 50.0 45.477 37.304 68.946 0.000 0.000 -0.000 3/40320 60.0 31.106 24.857 49.869 0.000 0.000 -0.000 3/40320 70.0 23.224 18.084 38.856 0.000 0.000 -0.000 3/40320 80.0 18.414 14.000 31.832 0.000 0.000 -0.000 3/40320 90.0 15.234 11.337 27.024 0.000 0.000 -0.000 3/40320 100.0 12.997 9.492 23.561 0.000 0.000 -0.000 3/40320 110.0 11.346 8.150 20.968 0.000 0.000 -0.000 3/40320 120.0 10.078 7.137 18.967 0.000 0.000 -0.000 3/40320 130.0 9.075 6.348 17.386 0.000 0.000 -0.000 3/40320 140.0 8.262 5.717 16.109 0.000 0.000 -0.000 3/40320 150.0 7.587 5.202 15.059 0.000 0.000 -0.000 3/40320 160.0 7.020 4.774 14.182 0.000 0.000 -0.000 3/40320 170.0 6.534 4.412 13.438 0.000 0.000 -0.000 3/40320 180.0 6.114 4.103 12.798 0.000 0.000 -0.000 3/40320 190.0 5.747 3.835 12.240 0.000 0.000 -0.000 3/40320 200.0 5.422 3.602 11.749 0.000 0.000 -0.000 3/40320 210.0 5.134 3.396 11.312 0.000 0.000 -0.000 3/40320 220.0 4.876 3.213 10.920 0.000 0.000 -0.000 3/40320 230.0 4.644 3.050 10.564 0.000 0.000 -0.000 3/40320 240.0 4.433 2.903 10.239 0.000 0.000 -0.000 3/40320 250.0 4.242 2.770 9.939 0.000 0.000 -0.000 3/40320 260.0 4.067 2.649 9.662 0.000 0.000 -0.000 3/40320 270.0 3.906 2.539 9.405 0.000 0.000 -0.000 3/40320 280.0 3.758 2.438 9.164 0.000 0.000 -0.000 3/40320 290.0 3.621 2.345 8.938 0.000 0.000 -0.000 3/40320 300.0 3.494 2.259 8.724 0.000 0.000 -0.000 3/40320 310.0 3.376 2.179 8.523 0.000 0.000 -0.000 3/40320 320.0 3.266 2.105 8.332 0.000 0.000 -0.000 3/40320 330.0 3.163 2.036 8.150 0.000 0.000 -0.000 3/40320 340.0 3.067 1.972 7.976 0.000 0.000 -0.000 3/40320 350.0 2.976 1.912 7.811 0.000 0.000 -0.000 3/40320 360.0 2.891 1.856 7.653 0.000 0.000 -0.000 3/40320 370.0 2.811 1.803 7.501 0.000 0.000 -0.000 3/40320 380.0 2.735 1.753 7.355 0.000 0.000 -0.000 3/40320 390.0 2.664 1.705 7.215 0.000 0.000 -0.000 3/40320 400.0 2.596 1.661 7.081 0.000 0.000 -0.000 3/40320 410.0 2.532 1.619 6.951 0.000 0.000 -0.000 3/40320 420.0 2.471 1.579 6.826 0.000 0.000 -0.000 3/40320 430.0 2.412 1.541 6.706 0.000 0.000 -0.000 3/40320 440.0 2.357 1.504 6.589 0.000 0.000 -0.000 3/40320 450.0 2.304 1.470 6.477 0.000 0.000 -0.000 3/40320 460.0 2.254 1.437 6.368 0.000 0.000 -0.000 3/40320 470.0 2.206 1.406 6.263 0.000 0.000 -0.000 3/40320 480.0 2.160 1.376 6.161 0.000 0.000 -0.000 3/40320 490.0 2.115 1.347 6.062 0.000 0.000 -0.000 3/40320 500.0 2.073 1.320 5.967 0.000 0.000 -0.000 3/40320 510.0 2.032 1.294 5.874 0.000 0.000 -0.000 3/40320 520.0 1.993 1.268 5.784 0.000 0.000 -0.000 3/40320 530.0 1.956 1.244 5.696 0.000 0.000 -0.000 3/40320 540.0 1.920 1.221 5.611 0.000 0.000 -0.000 3/40320 550.0 1.885 1.198 5.529 0.000 0.000 -0.000 3/40320 560.0 1.852 1.177 5.449 0.000 0.000 -0.000 3/40320 570.0 1.819 1.156 5.371 0.000 0.000 -0.000 3/40320 580.0 1.788 1.136 5.295 0.000 0.000 -0.000 3/40320 590.0 1.758 1.117 5.221 0.000 0.000 -0.000 3/40320 600.0 1.729 1.098 5.149 0.000 0.000 -0.000 3/40320 610.0 1.701 1.080 5.079 0.000 0.000 -0.000 3/40320 620.0 1.674 1.062 5.011 0.000 0.000 -0.000 3/40320 630.0 1.648 1.046 4.944 0.000 0.000 -0.000 3/40320 640.0 1.622 1.029 4.880 0.000 0.000 -0.000 3/40320 650.0 1.598 1.013 4.817 0.000 0.000 -0.000 3/40320 660.0 1.574 0.998 4.755 0.000 0.000 -0.000 3/40320 670.0 1.550 0.983 4.695 0.000 0.000 -0.000 3/40320 680.0 1.528 0.969 4.636 0.000 0.000 -0.000 3/40320 690.0 1.506 0.955 4.579 0.000 0.000 -0.000 3/40320 700.0 1.485 0.941 4.523 0.000 0.000 -0.000 3/40320 710.0 1.464 0.928 4.468 0.000 0.000 -0.000 3/40320 720.0 1.444 0.915 4.415 0.000 0.000 -0.000 3/40320 730.0 1.425 0.903 4.363 0.000 0.000 -0.000 3/40320 740.0 1.406 0.891 4.312 0.000 0.000 -0.000 3/40320 750.0 1.387 0.879 4.262 0.000 0.000 -0.000 3/40320 760.0 1.369 0.868 4.214 0.000 0.000 -0.000 3/40320 770.0 1.352 0.856 4.166 0.000 0.000 -0.000 3/40320 780.0 1.335 0.846 4.119 0.000 0.000 -0.000 3/40320 790.0 1.318 0.835 4.074 0.000 0.000 -0.000 3/40320 800.0 1.302 0.825 4.029 0.000 0.000 -0.000 3/40320 810.0 1.286 0.815 3.985 0.000 0.000 -0.000 3/40320 820.0 1.271 0.805 3.943 0.000 0.000 -0.000 3/40320 830.0 1.256 0.795 3.901 0.000 0.000 -0.000 3/40320 840.0 1.241 0.786 3.860 0.000 0.000 -0.000 3/40320 850.0 1.227 0.777 3.819 0.000 0.000 -0.000 3/40320 860.0 1.213 0.768 3.780 0.000 0.000 -0.000 3/40320 870.0 1.199 0.759 3.741 0.000 0.000 -0.000 3/40320 880.0 1.186 0.751 3.704 0.000 0.000 -0.000 3/40320 890.0 1.173 0.742 3.666 0.000 0.000 -0.000 3/40320 900.0 1.160 0.734 3.630 0.000 0.000 -0.000 3/40320 910.0 1.147 0.726 3.594 0.000 0.000 -0.000 3/40320 920.0 1.135 0.718 3.559 0.000 0.000 -0.000 3/40320 930.0 1.123 0.711 3.525 0.000 0.000 -0.000 3/40320 940.0 1.112 0.703 3.491 0.000 0.000 -0.000 3/40320 950.0 1.100 0.696 3.458 0.000 0.000 -0.000 3/40320 960.0 1.089 0.689 3.426 0.000 0.000 -0.000 3/40320 970.0 1.078 0.682 3.394 0.000 0.000 -0.000 3/40320 980.0 1.067 0.675 3.362 0.000 0.000 -0.000 3/40320 990.0 1.057 0.668 3.332 0.000 0.000 -0.000 3/40320 1000.0 1.046 0.662 3.301 0.000 0.000 -0.000 3/40320 Thermal conductivity related properties were written into "kappa-m6410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:39:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|