----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:17:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.595185374317833 0.000000000000000 0.000000000000000 b 0.000000000000000 8.955838510000000 0.000000000000000 c -3.649795149949473 0.000000000000000 6.735505714791777 Atomic positions (fractional): *1 Ca 0.30094617868196 0.33700334796952 0.29378922010071 40.078 2 Ca 0.30094617868196 0.16299665203048 0.79378922010071 40.078 3 Ca 0.69905382131804 0.66299665203048 0.70621077989929 40.078 4 Ca 0.69905382131804 0.83700334796952 0.20621077989929 40.078 *5 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 *6 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 7 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 8 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 *9 Al 0.23831541830086 0.81458014241645 0.74974004240621 26.982 10 Al 0.76168458169914 0.31458014241645 0.75025995759379 26.982 11 Al 0.23831541830086 0.68541985758355 0.24974004240621 26.982 12 Al 0.76168458169914 0.18541985758355 0.25025995759379 26.982 *13 O 0.00041976244973 0.19671538590373 0.87805122669984 15.999 *14 O 0.75504510817974 0.43429808566332 0.56379018417244 15.999 *15 O 0.24176314354232 0.07853440953579 0.25404881930688 15.999 16 O 0.24495489182026 0.56570191433668 0.43620981582756 15.999 17 O 0.00041976244973 0.30328461409627 0.37805122669984 15.999 *18 O 0.48627298524605 0.79795234078679 0.38397195037739 15.999 19 O 0.75823685645768 0.57853440953579 0.24595118069312 15.999 20 O 0.51372701475395 0.29795234078679 0.11602804962261 15.999 21 O 0.51372701475395 0.20204765921321 0.61602804962261 15.999 *22 O 0.71645932747166 0.44261435760021 0.90200016031271 15.999 23 O 0.71645932747166 0.05738564239979 0.40200016031271 15.999 24 O 0.24495489182026 0.93429808566332 0.93620981582756 15.999 25 O 0.75504510817974 0.06570191433668 0.06379018417244 15.999 26 O 0.24176314354232 0.42146559046421 0.75404881930688 15.999 27 O 0.28354067252833 0.94261435760021 0.59799983968729 15.999 28 O 0.28354067252833 0.55738564239979 0.09799983968729 15.999 29 O 0.48627298524605 0.70204765921321 0.88397195037739 15.999 30 O 0.99958023755027 0.69671538590373 0.62194877330016 15.999 31 O 0.75823685645768 0.92146559046421 0.74595118069312 15.999 32 O 0.99958023755027 0.80328461409627 0.12194877330016 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.595185374317833 0.000000000000000 0.000000000000000 b 0.000000000000000 8.955838510000000 0.000000000000000 c -3.649795149949473 0.000000000000000 6.735505714791777 Atomic positions (fractional): *1 Ca 0.30094617868196 0.33700334796952 0.29378922010071 40.078 > 1 2 Ca 0.30094617868196 0.16299665203048 0.79378922010071 40.078 > 2 3 Ca 0.69905382131804 0.66299665203048 0.70621077989929 40.078 > 3 4 Ca 0.69905382131804 0.83700334796952 0.20621077989929 40.078 > 4 *5 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 > 5 *6 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 6 7 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 7 8 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 8 *9 Al 0.23831541830086 0.81458014241645 0.74974004240621 26.982 > 9 10 Al 0.76168458169914 0.31458014241645 0.75025995759379 26.982 > 10 11 Al 0.23831541830086 0.68541985758355 0.24974004240621 26.982 > 11 12 Al 0.76168458169914 0.18541985758355 0.25025995759379 26.982 > 12 *13 O 0.00041976244973 0.19671538590373 0.87805122669984 15.999 > 13 *14 O 0.75504510817974 0.43429808566332 0.56379018417244 15.999 > 14 *15 O 0.24176314354232 0.07853440953579 0.25404881930688 15.999 > 15 16 O 0.24495489182026 0.56570191433668 0.43620981582756 15.999 > 16 17 O 0.00041976244973 0.30328461409627 0.37805122669984 15.999 > 17 *18 O 0.48627298524605 0.79795234078679 0.38397195037739 15.999 > 18 19 O 0.75823685645768 0.57853440953579 0.24595118069312 15.999 > 19 20 O 0.51372701475395 0.29795234078679 0.11602804962261 15.999 > 20 21 O 0.51372701475395 0.20204765921321 0.61602804962261 15.999 > 21 *22 O 0.71645932747166 0.44261435760021 0.90200016031271 15.999 > 22 23 O 0.71645932747166 0.05738564239979 0.40200016031271 15.999 > 23 24 O 0.24495489182026 0.93429808566332 0.93620981582756 15.999 > 24 25 O 0.75504510817974 0.06570191433668 0.06379018417244 15.999 > 25 26 O 0.24176314354232 0.42146559046421 0.75404881930688 15.999 > 26 27 O 0.28354067252833 0.94261435760021 0.59799983968729 15.999 > 27 28 O 0.28354067252833 0.55738564239979 0.09799983968729 15.999 > 28 29 O 0.48627298524605 0.70204765921321 0.88397195037739 15.999 > 29 30 O 0.99958023755027 0.69671538590373 0.62194877330016 15.999 > 30 31 O 0.75823685645768 0.92146559046421 0.74595118069312 15.999 > 31 32 O 0.99958023755027 0.80328461409627 0.12194877330016 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.190370748635665 0.000000000000000 0.000000000000000 b 0.000000000000000 8.955838510000000 0.000000000000000 c -7.299590299898946 0.000000000000000 13.471011429583553 Atomic positions (fractional): *1 Ca 0.15047308934098 0.33700334796952 0.14689461005036 40.078 > 1 2 Ca 0.65047308934098 0.33700334796952 0.14689461005036 40.078 > 1 3 Ca 0.15047308934098 0.33700334796952 0.64689461005035 40.078 > 1 4 Ca 0.65047308934098 0.33700334796952 0.64689461005035 40.078 > 1 5 Ca 0.15047308934098 0.16299665203048 0.39689461005035 40.078 > 2 6 Ca 0.65047308934098 0.16299665203048 0.39689461005035 40.078 > 2 7 Ca 0.15047308934098 0.16299665203048 0.89689461005035 40.078 > 2 8 Ca 0.65047308934098 0.16299665203048 0.89689461005035 40.078 > 2 9 Ca 0.34952691065902 0.66299665203048 0.35310538994965 40.078 > 3 10 Ca 0.84952691065902 0.66299665203048 0.35310538994965 40.078 > 3 11 Ca 0.34952691065902 0.66299665203048 0.85310538994965 40.078 > 3 12 Ca 0.84952691065902 0.66299665203048 0.85310538994965 40.078 > 3 13 Ca 0.34952691065902 0.83700334796952 0.10310538994964 40.078 > 4 14 Ca 0.84952691065902 0.83700334796952 0.10310538994964 40.078 > 4 15 Ca 0.34952691065902 0.83700334796952 0.60310538994965 40.078 > 4 16 Ca 0.84952691065902 0.83700334796952 0.60310538994965 40.078 > 4 *17 Ta 0.00000000000000 0.50000000000000 0.25000000000000 180.948 > 5 18 Ta 0.50000000000000 0.50000000000000 0.25000000000000 180.948 > 5 19 Ta 0.00000000000000 0.50000000000000 0.75000000000000 180.948 > 5 20 Ta 0.50000000000000 0.50000000000000 0.75000000000000 180.948 > 5 *21 Ta 0.25000000000000 0.50000000000000 0.00000000000000 180.948 > 6 22 Ta 0.75000000000000 0.50000000000000 0.00000000000000 180.948 > 6 23 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 6 24 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 6 25 Ta 0.25000000000000 0.00000000000000 0.25000000000000 180.948 > 7 26 Ta 0.75000000000000 0.00000000000000 0.25000000000000 180.948 > 7 27 Ta 0.25000000000000 0.00000000000000 0.75000000000000 180.948 > 7 28 Ta 0.75000000000000 0.00000000000000 0.75000000000000 180.948 > 7 29 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 8 30 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 8 31 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 8 32 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 8 *33 Al 0.11915770915043 0.81458014241645 0.37487002120310 26.982 > 9 34 Al 0.61915770915043 0.81458014241645 0.37487002120310 26.982 > 9 35 Al 0.11915770915043 0.81458014241645 0.87487002120310 26.982 > 9 36 Al 0.61915770915043 0.81458014241645 0.87487002120310 26.982 > 9 37 Al 0.38084229084957 0.31458014241645 0.37512997879690 26.982 > 10 38 Al 0.88084229084957 0.31458014241645 0.37512997879690 26.982 > 10 39 Al 0.38084229084957 0.31458014241645 0.87512997879690 26.982 > 10 40 Al 0.88084229084957 0.31458014241645 0.87512997879690 26.982 > 10 41 Al 0.11915770915043 0.68541985758355 0.12487002120310 26.982 > 11 42 Al 0.61915770915043 0.68541985758355 0.12487002120310 26.982 > 11 43 Al 0.11915770915043 0.68541985758355 0.62487002120310 26.982 > 11 44 Al 0.61915770915043 0.68541985758355 0.62487002120310 26.982 > 11 45 Al 0.38084229084957 0.18541985758355 0.12512997879690 26.982 > 12 46 Al 0.88084229084957 0.18541985758355 0.12512997879690 26.982 > 12 47 Al 0.38084229084957 0.18541985758355 0.62512997879690 26.982 > 12 48 Al 0.88084229084957 0.18541985758355 0.62512997879690 26.982 > 12 *49 O 0.00020988122487 0.19671538590373 0.43902561334992 15.999 > 13 50 O 0.50020988122487 0.19671538590373 0.43902561334992 15.999 > 13 51 O 0.00020988122487 0.19671538590373 0.93902561334992 15.999 > 13 52 O 0.50020988122487 0.19671538590373 0.93902561334992 15.999 > 13 *53 O 0.37752255408987 0.43429808566332 0.28189509208622 15.999 > 14 54 O 0.87752255408987 0.43429808566332 0.28189509208622 15.999 > 14 55 O 0.37752255408987 0.43429808566332 0.78189509208622 15.999 > 14 56 O 0.87752255408987 0.43429808566332 0.78189509208622 15.999 > 14 *57 O 0.12088157177116 0.07853440953579 0.12702440965344 15.999 > 15 58 O 0.62088157177116 0.07853440953579 0.12702440965344 15.999 > 15 59 O 0.12088157177116 0.07853440953579 0.62702440965344 15.999 > 15 60 O 0.62088157177116 0.07853440953579 0.62702440965344 15.999 > 15 61 O 0.12247744591013 0.56570191433668 0.21810490791378 15.999 > 16 62 O 0.62247744591013 0.56570191433668 0.21810490791378 15.999 > 16 63 O 0.12247744591013 0.56570191433668 0.71810490791378 15.999 > 16 64 O 0.62247744591013 0.56570191433668 0.71810490791378 15.999 > 16 65 O 0.00020988122487 0.30328461409627 0.18902561334992 15.999 > 17 66 O 0.50020988122487 0.30328461409627 0.18902561334992 15.999 > 17 67 O 0.00020988122487 0.30328461409627 0.68902561334992 15.999 > 17 68 O 0.50020988122487 0.30328461409627 0.68902561334992 15.999 > 17 *69 O 0.24313649262303 0.79795234078679 0.19198597518869 15.999 > 18 70 O 0.74313649262303 0.79795234078679 0.19198597518869 15.999 > 18 71 O 0.24313649262303 0.79795234078679 0.69198597518869 15.999 > 18 72 O 0.74313649262303 0.79795234078679 0.69198597518869 15.999 > 18 73 O 0.37911842822884 0.57853440953579 0.12297559034656 15.999 > 19 74 O 0.87911842822884 0.57853440953579 0.12297559034656 15.999 > 19 75 O 0.37911842822884 0.57853440953579 0.62297559034656 15.999 > 19 76 O 0.87911842822884 0.57853440953579 0.62297559034656 15.999 > 19 77 O 0.25686350737697 0.29795234078679 0.05801402481131 15.999 > 20 78 O 0.75686350737697 0.29795234078679 0.05801402481131 15.999 > 20 79 O 0.25686350737697 0.29795234078679 0.55801402481131 15.999 > 20 80 O 0.75686350737697 0.29795234078679 0.55801402481131 15.999 > 20 81 O 0.25686350737697 0.20204765921321 0.30801402481131 15.999 > 21 82 O 0.75686350737697 0.20204765921321 0.30801402481131 15.999 > 21 83 O 0.25686350737697 0.20204765921321 0.80801402481131 15.999 > 21 84 O 0.75686350737697 0.20204765921321 0.80801402481131 15.999 > 21 *85 O 0.35822966373583 0.44261435760021 0.45100008015636 15.999 > 22 86 O 0.85822966373583 0.44261435760021 0.45100008015636 15.999 > 22 87 O 0.35822966373583 0.44261435760021 0.95100008015636 15.999 > 22 88 O 0.85822966373583 0.44261435760021 0.95100008015636 15.999 > 22 89 O 0.35822966373583 0.05738564239979 0.20100008015636 15.999 > 23 90 O 0.85822966373583 0.05738564239979 0.20100008015636 15.999 > 23 91 O 0.35822966373583 0.05738564239979 0.70100008015636 15.999 > 23 92 O 0.85822966373583 0.05738564239979 0.70100008015636 15.999 > 23 93 O 0.12247744591013 0.93429808566332 0.46810490791378 15.999 > 24 94 O 0.62247744591013 0.93429808566332 0.46810490791378 15.999 > 24 95 O 0.12247744591013 0.93429808566332 0.96810490791378 15.999 > 24 96 O 0.62247744591013 0.93429808566332 0.96810490791378 15.999 > 24 97 O 0.37752255408987 0.06570191433668 0.03189509208622 15.999 > 25 98 O 0.87752255408987 0.06570191433668 0.03189509208622 15.999 > 25 99 O 0.37752255408987 0.06570191433668 0.53189509208622 15.999 > 25 100 O 0.87752255408987 0.06570191433668 0.53189509208622 15.999 > 25 101 O 0.12088157177116 0.42146559046421 0.37702440965344 15.999 > 26 102 O 0.62088157177116 0.42146559046421 0.37702440965344 15.999 > 26 103 O 0.12088157177116 0.42146559046421 0.87702440965344 15.999 > 26 104 O 0.62088157177116 0.42146559046421 0.87702440965344 15.999 > 26 105 O 0.14177033626417 0.94261435760021 0.29899991984364 15.999 > 27 106 O 0.64177033626417 0.94261435760021 0.29899991984364 15.999 > 27 107 O 0.14177033626417 0.94261435760021 0.79899991984364 15.999 > 27 108 O 0.64177033626417 0.94261435760021 0.79899991984364 15.999 > 27 109 O 0.14177033626417 0.55738564239979 0.04899991984364 15.999 > 28 110 O 0.64177033626417 0.55738564239979 0.04899991984364 15.999 > 28 111 O 0.14177033626417 0.55738564239979 0.54899991984364 15.999 > 28 112 O 0.64177033626417 0.55738564239979 0.54899991984364 15.999 > 28 113 O 0.24313649262303 0.70204765921321 0.44198597518869 15.999 > 29 114 O 0.74313649262303 0.70204765921321 0.44198597518869 15.999 > 29 115 O 0.24313649262303 0.70204765921321 0.94198597518869 15.999 > 29 116 O 0.74313649262303 0.70204765921321 0.94198597518869 15.999 > 29 117 O 0.49979011877513 0.69671538590373 0.31097438665008 15.999 > 30 118 O 0.99979011877513 0.69671538590373 0.31097438665008 15.999 > 30 119 O 0.49979011877513 0.69671538590373 0.81097438665008 15.999 > 30 120 O 0.99979011877513 0.69671538590373 0.81097438665008 15.999 > 30 121 O 0.37911842822884 0.92146559046421 0.37297559034656 15.999 > 31 122 O 0.87911842822884 0.92146559046421 0.37297559034656 15.999 > 31 123 O 0.37911842822884 0.92146559046421 0.87297559034656 15.999 > 31 124 O 0.87911842822884 0.92146559046421 0.87297559034656 15.999 > 31 125 O 0.49979011877513 0.80328461409627 0.06097438665008 15.999 > 32 126 O 0.99979011877513 0.80328461409627 0.06097438665008 15.999 > 32 127 O 0.49979011877513 0.80328461409627 0.56097438665008 15.999 > 32 128 O 0.99979011877513 0.80328461409627 0.56097438665008 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9789437 0.0000000 0.0786942 0.0000000 3.8933495 0.0000000 0.0786942 0.0000000 4.2421726 -------------------------- Born effective charges -------------------------- 1 Ca 2.6241041 0.0679026 -0.2538795 0.0123853 2.6618918 -0.0904229 -0.3687054 -0.0273045 2.1995090 2 Ca 2.6241041 -0.0679026 -0.2538795 -0.0123853 2.6618918 0.0904229 -0.3687054 0.0273045 2.1995090 3 Ca 2.6241041 0.0679026 -0.2538795 0.0123853 2.6618918 -0.0904229 -0.3687054 -0.0273045 2.1995090 4 Ca 2.6241041 -0.0679026 -0.2538795 -0.0123853 2.6618918 0.0904229 -0.3687054 0.0273045 2.1995090 5 Ta 6.5455951 -0.2903050 1.0301794 0.1662323 5.6249827 0.1504235 0.3978223 -0.8298809 7.7713425 6 Ta 6.3519057 0.3533442 0.7201660 -0.2392552 5.6654343 -0.0072655 0.3126676 0.9655640 7.7601841 7 Ta 6.3519057 -0.3533442 0.7201660 0.2392552 5.6654343 0.0072655 0.3126676 -0.9655640 7.7601841 8 Ta 6.5455951 0.2903050 1.0301794 -0.1662323 5.6249827 -0.1504235 0.3978223 0.8298809 7.7713425 9 Al 2.7731631 0.0877363 -0.6449431 0.0468047 3.4070506 0.0854268 0.1877551 0.0383012 2.8306070 10 Al 2.7731631 -0.0877363 -0.6449431 -0.0468047 3.4070506 -0.0854268 0.1877551 -0.0383012 2.8306070 11 Al 2.7731631 -0.0877363 -0.6449431 -0.0468047 3.4070506 -0.0854268 0.1877551 -0.0383012 2.8306070 12 Al 2.7731631 0.0877363 -0.6449431 0.0468047 3.4070506 0.0854268 0.1877551 0.0383012 2.8306070 13 O -1.9008488 -0.0522457 0.0159247 -0.2289593 -2.9204279 0.8160709 0.0590949 0.8469685 -1.9145219 14 O -3.2538499 -0.5703144 0.6811915 -0.7243473 -1.9555938 0.2332792 0.5495314 0.2537357 -1.8675736 15 O -1.8394471 0.0149295 -1.6991996 -0.0016888 -1.8633352 -0.0926489 -1.6908816 -0.0524949 -4.9525707 16 O -3.2538499 -0.5703144 0.6811915 -0.7243473 -1.9555938 0.2332792 0.5495314 0.2537357 -1.8675736 17 O -1.9008488 0.0522457 0.0159247 0.2289593 -2.9204279 -0.8160709 0.0590949 -0.8469685 -1.9145219 18 O -1.7101200 -0.0245380 0.0682989 0.1331640 -3.0301448 -0.6281667 0.0332073 -0.7236427 -2.0906056 19 O -1.8394471 -0.0149295 -1.6991996 0.0016888 -1.8633352 0.0926489 -1.6908816 0.0524949 -4.9525707 20 O -1.7101200 0.0245380 0.0682989 -0.1331640 -3.0301448 0.6281667 0.0332073 0.7236427 -2.0906056 21 O -1.7101200 -0.0245380 0.0682989 0.1331640 -3.0301448 -0.6281667 0.0332073 -0.7236427 -2.0906056 22 O -3.1417518 0.5443875 0.9574345 0.7420618 -1.9446492 -0.2711422 0.8747533 -0.2873133 -1.9706075 23 O -3.1417518 -0.5443875 0.9574345 -0.7420618 -1.9446492 0.2711422 0.8747533 0.2873133 -1.9706075 24 O -3.2538499 0.5703144 0.6811915 0.7243473 -1.9555938 -0.2332792 0.5495314 -0.2537357 -1.8675736 25 O -3.2538499 0.5703144 0.6811915 0.7243473 -1.9555938 -0.2332792 0.5495314 -0.2537357 -1.8675736 26 O -1.8394471 -0.0149295 -1.6991996 0.0016888 -1.8633352 0.0926489 -1.6908816 0.0524949 -4.9525707 27 O -3.1417518 -0.5443875 0.9574345 -0.7420618 -1.9446492 0.2711422 0.8747533 0.2873133 -1.9706075 28 O -3.1417518 0.5443875 0.9574345 0.7420618 -1.9446492 -0.2711422 0.8747533 -0.2873133 -1.9706075 29 O -1.7101200 0.0245380 0.0682989 -0.1331640 -3.0301448 0.6281667 0.0332073 0.7236427 -2.0906056 30 O -1.9008488 0.0522457 0.0159247 0.2289593 -2.9204279 -0.8160709 0.0590949 -0.8469685 -1.9145219 31 O -1.8394471 0.0149295 -1.6991996 -0.0016888 -1.8633352 -0.0926489 -1.6908816 -0.0524949 -4.9525707 32 O -1.9008488 -0.0522457 0.0159247 -0.2289593 -2.9204279 0.8160709 0.0590949 0.8469685 -1.9145219 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4770 Number of blocks in projector: 4770 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: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 235 eigenvectors found. (2) Block: 528 / 528 (2) 264 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 235 eigenvectors found. (2) Block: 528 / 528 (2) 264 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 515 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 243 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 243 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 243 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4770, 4690), data: False |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 16), data: (562, 25) @ (25, 16) |-- (62, 53), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 16), data: (562, 25) @ (25, 16) |-- (62, 53), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 16), data: (562, 25) @ (25, 16) |-- (62, 53), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (1028, 1011), data: False |-- (1028, 13), data: (1028, 30) @ (30, 13) |-- (528, 515), data: False |-- (528, 9), data: (528, 22) @ (22, 9) |-- (278, 267), data: True |-- (250, 239), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1028, 1010), data: False |-- (1028, 16), data: (1028, 34) @ (34, 16) |-- (528, 512), data: False |-- (528, 13), data: (528, 29) @ (29, 13) |-- (278, 264), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1028, 1010), data: False |-- (1028, 16), data: (1028, 34) @ (34, 16) |-- (528, 512), data: False |-- (528, 13), data: (528, 29) @ (29, 13) |-- (278, 264), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.392 Solver_block: 200 / 960 - Time: 1.230 Solver_block: 300 / 960 - Time: 1.226 Solver_block: 400 / 960 - Time: 1.225 Solver_block: 500 / 960 - Time: 1.227 Solver_block: 600 / 960 - Time: 1.223 Solver_block: 700 / 960 - Time: 1.218 Solver_block: 800 / 960 - Time: 1.224 Solver_block: 900 / 960 - Time: 1.219 Solver_block: 960 / 960 - Time: 0.855 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.365 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4770 Number of blocks in projector: 4770 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: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 235 eigenvectors found. (2) Block: 528 / 528 (2) 264 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 235 eigenvectors found. (2) Block: 528 / 528 (2) 264 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 515 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 243 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 243 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 243 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4770, 4690), data: False |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 16), data: (562, 25) @ (25, 16) |-- (62, 53), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 16), data: (562, 25) @ (25, 16) |-- (62, 53), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 16), data: (562, 25) @ (25, 16) |-- (62, 53), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (1028, 1011), data: False |-- (1028, 13), data: (1028, 30) @ (30, 13) |-- (528, 515), data: False |-- (528, 9), data: (528, 22) @ (22, 9) |-- (278, 267), data: True |-- (250, 239), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1028, 1010), data: False |-- (1028, 16), data: (1028, 34) @ (34, 16) |-- (528, 512), data: False |-- (528, 13), data: (528, 29) @ (29, 13) |-- (278, 264), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1028, 1010), data: False |-- (1028, 16), data: (1028, 34) @ (34, 16) |-- (528, 512), data: False |-- (528, 13), data: (528, 29) @ (29, 13) |-- (278, 264), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:18:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:18:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.595185374317833 0.000000000000000 0.000000000000000 b 0.000000000000000 8.955838510000000 0.000000000000000 c -3.649795149949473 0.000000000000000 6.735505714791777 Atomic positions (fractional): 1 Ca 0.30094617868196 0.33700334796952 0.29378922010071 40.078 2 Ca 0.30094617868196 0.16299665203048 0.79378922010071 40.078 3 Ca 0.69905382131804 0.66299665203048 0.70621077989929 40.078 4 Ca 0.69905382131804 0.83700334796952 0.20621077989929 40.078 5 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 6 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 7 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 8 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 9 Al 0.23831541830086 0.81458014241645 0.74974004240621 26.982 10 Al 0.76168458169914 0.31458014241645 0.75025995759379 26.982 11 Al 0.23831541830086 0.68541985758355 0.24974004240621 26.982 12 Al 0.76168458169914 0.18541985758355 0.25025995759379 26.982 13 O 0.00041976244973 0.19671538590373 0.87805122669984 15.999 14 O 0.75504510817974 0.43429808566332 0.56379018417244 15.999 15 O 0.24176314354232 0.07853440953579 0.25404881930688 15.999 16 O 0.24495489182026 0.56570191433668 0.43620981582756 15.999 17 O 0.00041976244973 0.30328461409627 0.37805122669984 15.999 18 O 0.48627298524605 0.79795234078679 0.38397195037739 15.999 19 O 0.75823685645768 0.57853440953579 0.24595118069312 15.999 20 O 0.51372701475395 0.29795234078679 0.11602804962261 15.999 21 O 0.51372701475395 0.20204765921321 0.61602804962261 15.999 22 O 0.71645932747166 0.44261435760021 0.90200016031271 15.999 23 O 0.71645932747166 0.05738564239979 0.40200016031271 15.999 24 O 0.24495489182026 0.93429808566332 0.93620981582756 15.999 25 O 0.75504510817974 0.06570191433668 0.06379018417244 15.999 26 O 0.24176314354232 0.42146559046421 0.75404881930688 15.999 27 O 0.28354067252833 0.94261435760021 0.59799983968729 15.999 28 O 0.28354067252833 0.55738564239979 0.09799983968729 15.999 29 O 0.48627298524605 0.70204765921321 0.88397195037739 15.999 30 O 0.99958023755027 0.69671538590373 0.62194877330016 15.999 31 O 0.75823685645768 0.92146559046421 0.74595118069312 15.999 32 O 0.99958023755027 0.80328461409627 0.12194877330016 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.190370748635665 0.000000000000000 0.000000000000000 b 0.000000000000000 8.955838510000000 0.000000000000000 c -7.299590299898946 0.000000000000000 13.471011429583553 Atomic positions (fractional): 1 Ca 0.15047308934098 0.33700334796952 0.14689461005036 40.078 > 1 2 Ca 0.65047308934098 0.33700334796952 0.14689461005036 40.078 > 1 3 Ca 0.15047308934098 0.33700334796952 0.64689461005035 40.078 > 1 4 Ca 0.65047308934098 0.33700334796952 0.64689461005035 40.078 > 1 5 Ca 0.15047308934098 0.16299665203048 0.39689461005035 40.078 > 5 6 Ca 0.65047308934098 0.16299665203048 0.39689461005035 40.078 > 5 7 Ca 0.15047308934098 0.16299665203048 0.89689461005035 40.078 > 5 8 Ca 0.65047308934098 0.16299665203048 0.89689461005035 40.078 > 5 9 Ca 0.34952691065902 0.66299665203048 0.35310538994965 40.078 > 9 10 Ca 0.84952691065902 0.66299665203048 0.35310538994965 40.078 > 9 11 Ca 0.34952691065902 0.66299665203048 0.85310538994965 40.078 > 9 12 Ca 0.84952691065902 0.66299665203048 0.85310538994965 40.078 > 9 13 Ca 0.34952691065902 0.83700334796952 0.10310538994964 40.078 > 13 14 Ca 0.84952691065902 0.83700334796952 0.10310538994964 40.078 > 13 15 Ca 0.34952691065902 0.83700334796952 0.60310538994965 40.078 > 13 16 Ca 0.84952691065902 0.83700334796952 0.60310538994965 40.078 > 13 17 Ta 0.00000000000000 0.50000000000000 0.25000000000000 180.948 > 17 18 Ta 0.50000000000000 0.50000000000000 0.25000000000000 180.948 > 17 19 Ta 0.00000000000000 0.50000000000000 0.75000000000000 180.948 > 17 20 Ta 0.50000000000000 0.50000000000000 0.75000000000000 180.948 > 17 21 Ta 0.25000000000000 0.50000000000000 0.00000000000000 180.948 > 21 22 Ta 0.75000000000000 0.50000000000000 0.00000000000000 180.948 > 21 23 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 21 24 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 21 25 Ta 0.25000000000000 0.00000000000000 0.25000000000000 180.948 > 25 26 Ta 0.75000000000000 0.00000000000000 0.25000000000000 180.948 > 25 27 Ta 0.25000000000000 0.00000000000000 0.75000000000000 180.948 > 25 28 Ta 0.75000000000000 0.00000000000000 0.75000000000000 180.948 > 25 29 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 29 30 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 29 31 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 29 32 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 29 33 Al 0.11915770915043 0.81458014241645 0.37487002120310 26.982 > 33 34 Al 0.61915770915043 0.81458014241645 0.37487002120310 26.982 > 33 35 Al 0.11915770915043 0.81458014241645 0.87487002120310 26.982 > 33 36 Al 0.61915770915043 0.81458014241645 0.87487002120310 26.982 > 33 37 Al 0.38084229084957 0.31458014241645 0.37512997879690 26.982 > 37 38 Al 0.88084229084957 0.31458014241645 0.37512997879690 26.982 > 37 39 Al 0.38084229084957 0.31458014241645 0.87512997879690 26.982 > 37 40 Al 0.88084229084957 0.31458014241645 0.87512997879690 26.982 > 37 41 Al 0.11915770915043 0.68541985758355 0.12487002120310 26.982 > 41 42 Al 0.61915770915043 0.68541985758355 0.12487002120310 26.982 > 41 43 Al 0.11915770915043 0.68541985758355 0.62487002120310 26.982 > 41 44 Al 0.61915770915043 0.68541985758355 0.62487002120310 26.982 > 41 45 Al 0.38084229084957 0.18541985758355 0.12512997879690 26.982 > 45 46 Al 0.88084229084957 0.18541985758355 0.12512997879690 26.982 > 45 47 Al 0.38084229084957 0.18541985758355 0.62512997879690 26.982 > 45 48 Al 0.88084229084957 0.18541985758355 0.62512997879690 26.982 > 45 49 O 0.00020988122487 0.19671538590373 0.43902561334992 15.999 > 49 50 O 0.50020988122487 0.19671538590373 0.43902561334992 15.999 > 49 51 O 0.00020988122487 0.19671538590373 0.93902561334992 15.999 > 49 52 O 0.50020988122487 0.19671538590373 0.93902561334992 15.999 > 49 53 O 0.37752255408987 0.43429808566332 0.28189509208622 15.999 > 53 54 O 0.87752255408987 0.43429808566332 0.28189509208622 15.999 > 53 55 O 0.37752255408987 0.43429808566332 0.78189509208622 15.999 > 53 56 O 0.87752255408987 0.43429808566332 0.78189509208622 15.999 > 53 57 O 0.12088157177116 0.07853440953579 0.12702440965344 15.999 > 57 58 O 0.62088157177116 0.07853440953579 0.12702440965344 15.999 > 57 59 O 0.12088157177116 0.07853440953579 0.62702440965344 15.999 > 57 60 O 0.62088157177116 0.07853440953579 0.62702440965344 15.999 > 57 61 O 0.12247744591013 0.56570191433668 0.21810490791378 15.999 > 61 62 O 0.62247744591013 0.56570191433668 0.21810490791378 15.999 > 61 63 O 0.12247744591013 0.56570191433668 0.71810490791378 15.999 > 61 64 O 0.62247744591013 0.56570191433668 0.71810490791378 15.999 > 61 65 O 0.00020988122487 0.30328461409627 0.18902561334992 15.999 > 65 66 O 0.50020988122487 0.30328461409627 0.18902561334992 15.999 > 65 67 O 0.00020988122487 0.30328461409627 0.68902561334992 15.999 > 65 68 O 0.50020988122487 0.30328461409627 0.68902561334992 15.999 > 65 69 O 0.24313649262303 0.79795234078679 0.19198597518869 15.999 > 69 70 O 0.74313649262303 0.79795234078679 0.19198597518869 15.999 > 69 71 O 0.24313649262303 0.79795234078679 0.69198597518869 15.999 > 69 72 O 0.74313649262303 0.79795234078679 0.69198597518869 15.999 > 69 73 O 0.37911842822884 0.57853440953579 0.12297559034656 15.999 > 73 74 O 0.87911842822884 0.57853440953579 0.12297559034656 15.999 > 73 75 O 0.37911842822884 0.57853440953579 0.62297559034656 15.999 > 73 76 O 0.87911842822884 0.57853440953579 0.62297559034656 15.999 > 73 77 O 0.25686350737697 0.29795234078679 0.05801402481131 15.999 > 77 78 O 0.75686350737697 0.29795234078679 0.05801402481131 15.999 > 77 79 O 0.25686350737697 0.29795234078679 0.55801402481131 15.999 > 77 80 O 0.75686350737697 0.29795234078679 0.55801402481131 15.999 > 77 81 O 0.25686350737697 0.20204765921321 0.30801402481131 15.999 > 81 82 O 0.75686350737697 0.20204765921321 0.30801402481131 15.999 > 81 83 O 0.25686350737697 0.20204765921321 0.80801402481131 15.999 > 81 84 O 0.75686350737697 0.20204765921321 0.80801402481131 15.999 > 81 85 O 0.35822966373583 0.44261435760021 0.45100008015636 15.999 > 85 86 O 0.85822966373583 0.44261435760021 0.45100008015636 15.999 > 85 87 O 0.35822966373583 0.44261435760021 0.95100008015636 15.999 > 85 88 O 0.85822966373583 0.44261435760021 0.95100008015636 15.999 > 85 89 O 0.35822966373583 0.05738564239979 0.20100008015636 15.999 > 89 90 O 0.85822966373583 0.05738564239979 0.20100008015636 15.999 > 89 91 O 0.35822966373583 0.05738564239979 0.70100008015636 15.999 > 89 92 O 0.85822966373583 0.05738564239979 0.70100008015636 15.999 > 89 93 O 0.12247744591013 0.93429808566332 0.46810490791378 15.999 > 93 94 O 0.62247744591013 0.93429808566332 0.46810490791378 15.999 > 93 95 O 0.12247744591013 0.93429808566332 0.96810490791378 15.999 > 93 96 O 0.62247744591013 0.93429808566332 0.96810490791378 15.999 > 93 97 O 0.37752255408987 0.06570191433668 0.03189509208622 15.999 > 97 98 O 0.87752255408987 0.06570191433668 0.03189509208622 15.999 > 97 99 O 0.37752255408987 0.06570191433668 0.53189509208622 15.999 > 97 100 O 0.87752255408987 0.06570191433668 0.53189509208622 15.999 > 97 101 O 0.12088157177116 0.42146559046421 0.37702440965344 15.999 > 101 102 O 0.62088157177116 0.42146559046421 0.37702440965344 15.999 > 101 103 O 0.12088157177116 0.42146559046421 0.87702440965344 15.999 > 101 104 O 0.62088157177116 0.42146559046421 0.87702440965344 15.999 > 101 105 O 0.14177033626417 0.94261435760021 0.29899991984364 15.999 > 105 106 O 0.64177033626417 0.94261435760021 0.29899991984364 15.999 > 105 107 O 0.14177033626417 0.94261435760021 0.79899991984364 15.999 > 105 108 O 0.64177033626417 0.94261435760021 0.79899991984364 15.999 > 105 109 O 0.14177033626417 0.55738564239979 0.04899991984364 15.999 > 109 110 O 0.64177033626417 0.55738564239979 0.04899991984364 15.999 > 109 111 O 0.14177033626417 0.55738564239979 0.54899991984364 15.999 > 109 112 O 0.64177033626417 0.55738564239979 0.54899991984364 15.999 > 109 113 O 0.24313649262303 0.70204765921321 0.44198597518869 15.999 > 113 114 O 0.74313649262303 0.70204765921321 0.44198597518869 15.999 > 113 115 O 0.24313649262303 0.70204765921321 0.94198597518869 15.999 > 113 116 O 0.74313649262303 0.70204765921321 0.94198597518869 15.999 > 113 117 O 0.49979011877513 0.69671538590373 0.31097438665008 15.999 > 117 118 O 0.99979011877513 0.69671538590373 0.31097438665008 15.999 > 117 119 O 0.49979011877513 0.69671538590373 0.81097438665008 15.999 > 117 120 O 0.99979011877513 0.69671538590373 0.81097438665008 15.999 > 117 121 O 0.37911842822884 0.92146559046421 0.37297559034656 15.999 > 121 122 O 0.87911842822884 0.92146559046421 0.37297559034656 15.999 > 121 123 O 0.37911842822884 0.92146559046421 0.87297559034656 15.999 > 121 124 O 0.87911842822884 0.92146559046421 0.87297559034656 15.999 > 121 125 O 0.49979011877513 0.80328461409627 0.06097438665008 15.999 > 125 126 O 0.99979011877513 0.80328461409627 0.06097438665008 15.999 > 125 127 O 0.49979011877513 0.80328461409627 0.56097438665008 15.999 > 125 128 O 0.99979011877513 0.80328461409627 0.56097438665008 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9789437 0.0000000 0.0786942 0.0000000 3.8933495 0.0000000 0.0786942 0.0000000 4.2421726 -------------------------- Born effective charges -------------------------- 1 Ca 2.6241041 0.0679026 -0.2538795 0.0123853 2.6618918 -0.0904229 -0.3687054 -0.0273045 2.1995090 2 Ca 2.6241041 -0.0679026 -0.2538795 -0.0123853 2.6618918 0.0904229 -0.3687054 0.0273045 2.1995090 3 Ca 2.6241041 0.0679026 -0.2538795 0.0123853 2.6618918 -0.0904229 -0.3687054 -0.0273045 2.1995090 4 Ca 2.6241041 -0.0679026 -0.2538795 -0.0123853 2.6618918 0.0904229 -0.3687054 0.0273045 2.1995090 5 Ta 6.5455951 -0.2903050 1.0301794 0.1662323 5.6249827 0.1504235 0.3978223 -0.8298809 7.7713425 6 Ta 6.3519057 0.3533442 0.7201660 -0.2392552 5.6654343 -0.0072655 0.3126676 0.9655640 7.7601841 7 Ta 6.3519057 -0.3533442 0.7201660 0.2392552 5.6654343 0.0072655 0.3126676 -0.9655640 7.7601841 8 Ta 6.5455951 0.2903050 1.0301794 -0.1662323 5.6249827 -0.1504235 0.3978223 0.8298809 7.7713425 9 Al 2.7731631 0.0877363 -0.6449431 0.0468047 3.4070506 0.0854268 0.1877551 0.0383012 2.8306070 10 Al 2.7731631 -0.0877363 -0.6449431 -0.0468047 3.4070506 -0.0854268 0.1877551 -0.0383012 2.8306070 11 Al 2.7731631 -0.0877363 -0.6449431 -0.0468047 3.4070506 -0.0854268 0.1877551 -0.0383012 2.8306070 12 Al 2.7731631 0.0877363 -0.6449431 0.0468047 3.4070506 0.0854268 0.1877551 0.0383012 2.8306070 13 O -1.9008488 -0.0522457 0.0159247 -0.2289593 -2.9204279 0.8160709 0.0590949 0.8469685 -1.9145219 14 O -3.2538499 -0.5703144 0.6811915 -0.7243473 -1.9555938 0.2332792 0.5495314 0.2537357 -1.8675736 15 O -1.8394471 0.0149295 -1.6991996 -0.0016888 -1.8633352 -0.0926489 -1.6908816 -0.0524949 -4.9525707 16 O -3.2538499 -0.5703144 0.6811915 -0.7243473 -1.9555938 0.2332792 0.5495314 0.2537357 -1.8675736 17 O -1.9008488 0.0522457 0.0159247 0.2289593 -2.9204279 -0.8160709 0.0590949 -0.8469685 -1.9145219 18 O -1.7101200 -0.0245380 0.0682989 0.1331640 -3.0301448 -0.6281667 0.0332073 -0.7236427 -2.0906056 19 O -1.8394471 -0.0149295 -1.6991996 0.0016888 -1.8633352 0.0926489 -1.6908816 0.0524949 -4.9525707 20 O -1.7101200 0.0245380 0.0682989 -0.1331640 -3.0301448 0.6281667 0.0332073 0.7236427 -2.0906056 21 O -1.7101200 -0.0245380 0.0682989 0.1331640 -3.0301448 -0.6281667 0.0332073 -0.7236427 -2.0906056 22 O -3.1417518 0.5443875 0.9574345 0.7420618 -1.9446492 -0.2711422 0.8747533 -0.2873133 -1.9706075 23 O -3.1417518 -0.5443875 0.9574345 -0.7420618 -1.9446492 0.2711422 0.8747533 0.2873133 -1.9706075 24 O -3.2538499 0.5703144 0.6811915 0.7243473 -1.9555938 -0.2332792 0.5495314 -0.2537357 -1.8675736 25 O -3.2538499 0.5703144 0.6811915 0.7243473 -1.9555938 -0.2332792 0.5495314 -0.2537357 -1.8675736 26 O -1.8394471 -0.0149295 -1.6991996 0.0016888 -1.8633352 0.0926489 -1.6908816 0.0524949 -4.9525707 27 O -3.1417518 -0.5443875 0.9574345 -0.7420618 -1.9446492 0.2711422 0.8747533 0.2873133 -1.9706075 28 O -3.1417518 0.5443875 0.9574345 0.7420618 -1.9446492 -0.2711422 0.8747533 -0.2873133 -1.9706075 29 O -1.7101200 0.0245380 0.0682989 -0.1331640 -3.0301448 0.6281667 0.0332073 0.7236427 -2.0906056 30 O -1.9008488 0.0522457 0.0159247 0.2289593 -2.9204279 -0.8160709 0.0590949 -0.8469685 -1.9145219 31 O -1.8394471 0.0149295 -1.6991996 -0.0016888 -1.8633352 -0.0926489 -1.6908816 -0.0524949 -4.9525707 32 O -1.9008488 -0.0522457 0.0159247 -0.2289593 -2.9204279 0.8160709 0.0590949 0.8469685 -1.9145219 ---------------------------------------------------------------------------- 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 21, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 53, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 85, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (xz) 0.00000004 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:19:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:19:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.595185374317833 0.000000000000000 0.000000000000000 b 0.000000000000000 8.955838510000000 0.000000000000000 c -3.649795149949473 0.000000000000000 6.735505714791777 Atomic positions (fractional): 1 Ca 0.30094617868196 0.33700334796952 0.29378922010071 40.078 2 Ca 0.30094617868196 0.16299665203048 0.79378922010071 40.078 3 Ca 0.69905382131804 0.66299665203048 0.70621077989929 40.078 4 Ca 0.69905382131804 0.83700334796952 0.20621077989929 40.078 5 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 6 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 7 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 8 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 9 Al 0.23831541830086 0.81458014241645 0.74974004240621 26.982 10 Al 0.76168458169914 0.31458014241645 0.75025995759379 26.982 11 Al 0.23831541830086 0.68541985758355 0.24974004240621 26.982 12 Al 0.76168458169914 0.18541985758355 0.25025995759379 26.982 13 O 0.00041976244973 0.19671538590373 0.87805122669984 15.999 14 O 0.75504510817974 0.43429808566332 0.56379018417244 15.999 15 O 0.24176314354232 0.07853440953579 0.25404881930688 15.999 16 O 0.24495489182026 0.56570191433668 0.43620981582756 15.999 17 O 0.00041976244973 0.30328461409627 0.37805122669984 15.999 18 O 0.48627298524605 0.79795234078679 0.38397195037739 15.999 19 O 0.75823685645768 0.57853440953579 0.24595118069312 15.999 20 O 0.51372701475395 0.29795234078679 0.11602804962261 15.999 21 O 0.51372701475395 0.20204765921321 0.61602804962261 15.999 22 O 0.71645932747166 0.44261435760021 0.90200016031271 15.999 23 O 0.71645932747166 0.05738564239979 0.40200016031271 15.999 24 O 0.24495489182026 0.93429808566332 0.93620981582756 15.999 25 O 0.75504510817974 0.06570191433668 0.06379018417244 15.999 26 O 0.24176314354232 0.42146559046421 0.75404881930688 15.999 27 O 0.28354067252833 0.94261435760021 0.59799983968729 15.999 28 O 0.28354067252833 0.55738564239979 0.09799983968729 15.999 29 O 0.48627298524605 0.70204765921321 0.88397195037739 15.999 30 O 0.99958023755027 0.69671538590373 0.62194877330016 15.999 31 O 0.75823685645768 0.92146559046421 0.74595118069312 15.999 32 O 0.99958023755027 0.80328461409627 0.12194877330016 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.190370748635665 0.000000000000000 0.000000000000000 b 0.000000000000000 8.955838510000000 0.000000000000000 c -7.299590299898946 0.000000000000000 13.471011429583553 Atomic positions (fractional): 1 Ca 0.15047308934098 0.33700334796952 0.14689461005036 40.078 > 1 2 Ca 0.65047308934098 0.33700334796952 0.14689461005036 40.078 > 1 3 Ca 0.15047308934098 0.33700334796952 0.64689461005035 40.078 > 1 4 Ca 0.65047308934098 0.33700334796952 0.64689461005035 40.078 > 1 5 Ca 0.15047308934098 0.16299665203048 0.39689461005035 40.078 > 5 6 Ca 0.65047308934098 0.16299665203048 0.39689461005035 40.078 > 5 7 Ca 0.15047308934098 0.16299665203048 0.89689461005035 40.078 > 5 8 Ca 0.65047308934098 0.16299665203048 0.89689461005035 40.078 > 5 9 Ca 0.34952691065902 0.66299665203048 0.35310538994965 40.078 > 9 10 Ca 0.84952691065902 0.66299665203048 0.35310538994965 40.078 > 9 11 Ca 0.34952691065902 0.66299665203048 0.85310538994965 40.078 > 9 12 Ca 0.84952691065902 0.66299665203048 0.85310538994965 40.078 > 9 13 Ca 0.34952691065902 0.83700334796952 0.10310538994964 40.078 > 13 14 Ca 0.84952691065902 0.83700334796952 0.10310538994964 40.078 > 13 15 Ca 0.34952691065902 0.83700334796952 0.60310538994965 40.078 > 13 16 Ca 0.84952691065902 0.83700334796952 0.60310538994965 40.078 > 13 17 Ta 0.00000000000000 0.50000000000000 0.25000000000000 180.948 > 17 18 Ta 0.50000000000000 0.50000000000000 0.25000000000000 180.948 > 17 19 Ta 0.00000000000000 0.50000000000000 0.75000000000000 180.948 > 17 20 Ta 0.50000000000000 0.50000000000000 0.75000000000000 180.948 > 17 21 Ta 0.25000000000000 0.50000000000000 0.00000000000000 180.948 > 21 22 Ta 0.75000000000000 0.50000000000000 0.00000000000000 180.948 > 21 23 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 21 24 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 21 25 Ta 0.25000000000000 0.00000000000000 0.25000000000000 180.948 > 25 26 Ta 0.75000000000000 0.00000000000000 0.25000000000000 180.948 > 25 27 Ta 0.25000000000000 0.00000000000000 0.75000000000000 180.948 > 25 28 Ta 0.75000000000000 0.00000000000000 0.75000000000000 180.948 > 25 29 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 29 30 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 29 31 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 29 32 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 29 33 Al 0.11915770915043 0.81458014241645 0.37487002120310 26.982 > 33 34 Al 0.61915770915043 0.81458014241645 0.37487002120310 26.982 > 33 35 Al 0.11915770915043 0.81458014241645 0.87487002120310 26.982 > 33 36 Al 0.61915770915043 0.81458014241645 0.87487002120310 26.982 > 33 37 Al 0.38084229084957 0.31458014241645 0.37512997879690 26.982 > 37 38 Al 0.88084229084957 0.31458014241645 0.37512997879690 26.982 > 37 39 Al 0.38084229084957 0.31458014241645 0.87512997879690 26.982 > 37 40 Al 0.88084229084957 0.31458014241645 0.87512997879690 26.982 > 37 41 Al 0.11915770915043 0.68541985758355 0.12487002120310 26.982 > 41 42 Al 0.61915770915043 0.68541985758355 0.12487002120310 26.982 > 41 43 Al 0.11915770915043 0.68541985758355 0.62487002120310 26.982 > 41 44 Al 0.61915770915043 0.68541985758355 0.62487002120310 26.982 > 41 45 Al 0.38084229084957 0.18541985758355 0.12512997879690 26.982 > 45 46 Al 0.88084229084957 0.18541985758355 0.12512997879690 26.982 > 45 47 Al 0.38084229084957 0.18541985758355 0.62512997879690 26.982 > 45 48 Al 0.88084229084957 0.18541985758355 0.62512997879690 26.982 > 45 49 O 0.00020988122487 0.19671538590373 0.43902561334992 15.999 > 49 50 O 0.50020988122487 0.19671538590373 0.43902561334992 15.999 > 49 51 O 0.00020988122487 0.19671538590373 0.93902561334992 15.999 > 49 52 O 0.50020988122487 0.19671538590373 0.93902561334992 15.999 > 49 53 O 0.37752255408987 0.43429808566332 0.28189509208622 15.999 > 53 54 O 0.87752255408987 0.43429808566332 0.28189509208622 15.999 > 53 55 O 0.37752255408987 0.43429808566332 0.78189509208622 15.999 > 53 56 O 0.87752255408987 0.43429808566332 0.78189509208622 15.999 > 53 57 O 0.12088157177116 0.07853440953579 0.12702440965344 15.999 > 57 58 O 0.62088157177116 0.07853440953579 0.12702440965344 15.999 > 57 59 O 0.12088157177116 0.07853440953579 0.62702440965344 15.999 > 57 60 O 0.62088157177116 0.07853440953579 0.62702440965344 15.999 > 57 61 O 0.12247744591013 0.56570191433668 0.21810490791378 15.999 > 61 62 O 0.62247744591013 0.56570191433668 0.21810490791378 15.999 > 61 63 O 0.12247744591013 0.56570191433668 0.71810490791378 15.999 > 61 64 O 0.62247744591013 0.56570191433668 0.71810490791378 15.999 > 61 65 O 0.00020988122487 0.30328461409627 0.18902561334992 15.999 > 65 66 O 0.50020988122487 0.30328461409627 0.18902561334992 15.999 > 65 67 O 0.00020988122487 0.30328461409627 0.68902561334992 15.999 > 65 68 O 0.50020988122487 0.30328461409627 0.68902561334992 15.999 > 65 69 O 0.24313649262303 0.79795234078679 0.19198597518869 15.999 > 69 70 O 0.74313649262303 0.79795234078679 0.19198597518869 15.999 > 69 71 O 0.24313649262303 0.79795234078679 0.69198597518869 15.999 > 69 72 O 0.74313649262303 0.79795234078679 0.69198597518869 15.999 > 69 73 O 0.37911842822884 0.57853440953579 0.12297559034656 15.999 > 73 74 O 0.87911842822884 0.57853440953579 0.12297559034656 15.999 > 73 75 O 0.37911842822884 0.57853440953579 0.62297559034656 15.999 > 73 76 O 0.87911842822884 0.57853440953579 0.62297559034656 15.999 > 73 77 O 0.25686350737697 0.29795234078679 0.05801402481131 15.999 > 77 78 O 0.75686350737697 0.29795234078679 0.05801402481131 15.999 > 77 79 O 0.25686350737697 0.29795234078679 0.55801402481131 15.999 > 77 80 O 0.75686350737697 0.29795234078679 0.55801402481131 15.999 > 77 81 O 0.25686350737697 0.20204765921321 0.30801402481131 15.999 > 81 82 O 0.75686350737697 0.20204765921321 0.30801402481131 15.999 > 81 83 O 0.25686350737697 0.20204765921321 0.80801402481131 15.999 > 81 84 O 0.75686350737697 0.20204765921321 0.80801402481131 15.999 > 81 85 O 0.35822966373583 0.44261435760021 0.45100008015636 15.999 > 85 86 O 0.85822966373583 0.44261435760021 0.45100008015636 15.999 > 85 87 O 0.35822966373583 0.44261435760021 0.95100008015636 15.999 > 85 88 O 0.85822966373583 0.44261435760021 0.95100008015636 15.999 > 85 89 O 0.35822966373583 0.05738564239979 0.20100008015636 15.999 > 89 90 O 0.85822966373583 0.05738564239979 0.20100008015636 15.999 > 89 91 O 0.35822966373583 0.05738564239979 0.70100008015636 15.999 > 89 92 O 0.85822966373583 0.05738564239979 0.70100008015636 15.999 > 89 93 O 0.12247744591013 0.93429808566332 0.46810490791378 15.999 > 93 94 O 0.62247744591013 0.93429808566332 0.46810490791378 15.999 > 93 95 O 0.12247744591013 0.93429808566332 0.96810490791378 15.999 > 93 96 O 0.62247744591013 0.93429808566332 0.96810490791378 15.999 > 93 97 O 0.37752255408987 0.06570191433668 0.03189509208622 15.999 > 97 98 O 0.87752255408987 0.06570191433668 0.03189509208622 15.999 > 97 99 O 0.37752255408987 0.06570191433668 0.53189509208622 15.999 > 97 100 O 0.87752255408987 0.06570191433668 0.53189509208622 15.999 > 97 101 O 0.12088157177116 0.42146559046421 0.37702440965344 15.999 > 101 102 O 0.62088157177116 0.42146559046421 0.37702440965344 15.999 > 101 103 O 0.12088157177116 0.42146559046421 0.87702440965344 15.999 > 101 104 O 0.62088157177116 0.42146559046421 0.87702440965344 15.999 > 101 105 O 0.14177033626417 0.94261435760021 0.29899991984364 15.999 > 105 106 O 0.64177033626417 0.94261435760021 0.29899991984364 15.999 > 105 107 O 0.14177033626417 0.94261435760021 0.79899991984364 15.999 > 105 108 O 0.64177033626417 0.94261435760021 0.79899991984364 15.999 > 105 109 O 0.14177033626417 0.55738564239979 0.04899991984364 15.999 > 109 110 O 0.64177033626417 0.55738564239979 0.04899991984364 15.999 > 109 111 O 0.14177033626417 0.55738564239979 0.54899991984364 15.999 > 109 112 O 0.64177033626417 0.55738564239979 0.54899991984364 15.999 > 109 113 O 0.24313649262303 0.70204765921321 0.44198597518869 15.999 > 113 114 O 0.74313649262303 0.70204765921321 0.44198597518869 15.999 > 113 115 O 0.24313649262303 0.70204765921321 0.94198597518869 15.999 > 113 116 O 0.74313649262303 0.70204765921321 0.94198597518869 15.999 > 113 117 O 0.49979011877513 0.69671538590373 0.31097438665008 15.999 > 117 118 O 0.99979011877513 0.69671538590373 0.31097438665008 15.999 > 117 119 O 0.49979011877513 0.69671538590373 0.81097438665008 15.999 > 117 120 O 0.99979011877513 0.69671538590373 0.81097438665008 15.999 > 117 121 O 0.37911842822884 0.92146559046421 0.37297559034656 15.999 > 121 122 O 0.87911842822884 0.92146559046421 0.37297559034656 15.999 > 121 123 O 0.37911842822884 0.92146559046421 0.87297559034656 15.999 > 121 124 O 0.87911842822884 0.92146559046421 0.87297559034656 15.999 > 121 125 O 0.49979011877513 0.80328461409627 0.06097438665008 15.999 > 125 126 O 0.99979011877513 0.80328461409627 0.06097438665008 15.999 > 125 127 O 0.49979011877513 0.80328461409627 0.56097438665008 15.999 > 125 128 O 0.99979011877513 0.80328461409627 0.56097438665008 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9789437 0.0000000 0.0786942 0.0000000 3.8933495 0.0000000 0.0786942 0.0000000 4.2421726 -------------------------- Born effective charges -------------------------- 1 Ca 2.6241041 0.0679026 -0.2538795 0.0123853 2.6618918 -0.0904229 -0.3687054 -0.0273045 2.1995090 2 Ca 2.6241041 -0.0679026 -0.2538795 -0.0123853 2.6618918 0.0904229 -0.3687054 0.0273045 2.1995090 3 Ca 2.6241041 0.0679026 -0.2538795 0.0123853 2.6618918 -0.0904229 -0.3687054 -0.0273045 2.1995090 4 Ca 2.6241041 -0.0679026 -0.2538795 -0.0123853 2.6618918 0.0904229 -0.3687054 0.0273045 2.1995090 5 Ta 6.5455951 -0.2903050 1.0301794 0.1662323 5.6249827 0.1504235 0.3978223 -0.8298809 7.7713425 6 Ta 6.3519057 0.3533442 0.7201660 -0.2392552 5.6654343 -0.0072655 0.3126676 0.9655640 7.7601841 7 Ta 6.3519057 -0.3533442 0.7201660 0.2392552 5.6654343 0.0072655 0.3126676 -0.9655640 7.7601841 8 Ta 6.5455951 0.2903050 1.0301794 -0.1662323 5.6249827 -0.1504235 0.3978223 0.8298809 7.7713425 9 Al 2.7731631 0.0877363 -0.6449431 0.0468047 3.4070506 0.0854268 0.1877551 0.0383012 2.8306070 10 Al 2.7731631 -0.0877363 -0.6449431 -0.0468047 3.4070506 -0.0854268 0.1877551 -0.0383012 2.8306070 11 Al 2.7731631 -0.0877363 -0.6449431 -0.0468047 3.4070506 -0.0854268 0.1877551 -0.0383012 2.8306070 12 Al 2.7731631 0.0877363 -0.6449431 0.0468047 3.4070506 0.0854268 0.1877551 0.0383012 2.8306070 13 O -1.9008488 -0.0522457 0.0159247 -0.2289593 -2.9204279 0.8160709 0.0590949 0.8469685 -1.9145219 14 O -3.2538499 -0.5703144 0.6811915 -0.7243473 -1.9555938 0.2332792 0.5495314 0.2537357 -1.8675736 15 O -1.8394471 0.0149295 -1.6991996 -0.0016888 -1.8633352 -0.0926489 -1.6908816 -0.0524949 -4.9525707 16 O -3.2538499 -0.5703144 0.6811915 -0.7243473 -1.9555938 0.2332792 0.5495314 0.2537357 -1.8675736 17 O -1.9008488 0.0522457 0.0159247 0.2289593 -2.9204279 -0.8160709 0.0590949 -0.8469685 -1.9145219 18 O -1.7101200 -0.0245380 0.0682989 0.1331640 -3.0301448 -0.6281667 0.0332073 -0.7236427 -2.0906056 19 O -1.8394471 -0.0149295 -1.6991996 0.0016888 -1.8633352 0.0926489 -1.6908816 0.0524949 -4.9525707 20 O -1.7101200 0.0245380 0.0682989 -0.1331640 -3.0301448 0.6281667 0.0332073 0.7236427 -2.0906056 21 O -1.7101200 -0.0245380 0.0682989 0.1331640 -3.0301448 -0.6281667 0.0332073 -0.7236427 -2.0906056 22 O -3.1417518 0.5443875 0.9574345 0.7420618 -1.9446492 -0.2711422 0.8747533 -0.2873133 -1.9706075 23 O -3.1417518 -0.5443875 0.9574345 -0.7420618 -1.9446492 0.2711422 0.8747533 0.2873133 -1.9706075 24 O -3.2538499 0.5703144 0.6811915 0.7243473 -1.9555938 -0.2332792 0.5495314 -0.2537357 -1.8675736 25 O -3.2538499 0.5703144 0.6811915 0.7243473 -1.9555938 -0.2332792 0.5495314 -0.2537357 -1.8675736 26 O -1.8394471 -0.0149295 -1.6991996 0.0016888 -1.8633352 0.0926489 -1.6908816 0.0524949 -4.9525707 27 O -3.1417518 -0.5443875 0.9574345 -0.7420618 -1.9446492 0.2711422 0.8747533 0.2873133 -1.9706075 28 O -3.1417518 0.5443875 0.9574345 0.7420618 -1.9446492 -0.2711422 0.8747533 -0.2873133 -1.9706075 29 O -1.7101200 0.0245380 0.0682989 -0.1331640 -3.0301448 0.6281667 0.0332073 0.7236427 -2.0906056 30 O -1.9008488 0.0522457 0.0159247 0.2289593 -2.9204279 -0.8160709 0.0590949 -0.8469685 -1.9145219 31 O -1.8394471 0.0149295 -1.6991996 -0.0016888 -1.8633352 -0.0926489 -1.6908816 -0.0524949 -4.9525707 32 O -1.9008488 -0.0522457 0.0159247 -0.2289593 -2.9204279 0.8160709 0.0590949 0.8469685 -1.9145219 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.137 ( 0.000 0.000 0.000) 0.000 6.290 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.349 ( 0.000 0.000 0.000) 0.000 8.422 ( 0.000 0.000 0.000) 0.000 8.544 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 9.509 ( 0.000 0.000 0.000) 0.000 9.741 ( 0.000 0.000 0.000) 0.000 9.810 ( 0.000 0.000 0.000) 0.000 9.904 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.415 ( 0.000 0.000 0.000) 0.000 10.486 ( 0.000 0.000 0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 11.028 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 12.435 ( 0.000 0.000 0.000) 0.000 12.800 ( 0.000 0.000 0.000) 0.000 12.894 ( 0.000 0.000 0.000) 0.000 13.050 ( 0.000 0.000 0.000) 0.000 13.164 ( 0.000 0.000 0.000) 0.000 13.471 ( 0.000 0.000 0.000) 0.000 14.385 ( 0.000 0.000 0.000) 0.000 14.786 ( 0.000 0.000 0.000) 0.000 14.806 ( 0.000 0.000 0.000) 0.000 14.999 ( 0.000 0.000 0.000) 0.000 15.001 ( 0.000 0.000 0.000) 0.000 15.277 ( 0.000 0.000 0.000) 0.000 15.277 ( 0.000 0.000 0.000) 0.000 15.557 ( 0.000 0.000 0.000) 0.000 15.806 ( 0.000 0.000 0.000) 0.000 15.983 ( 0.000 0.000 0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.269 ( 0.000 0.000 0.000) 0.000 16.516 ( 0.000 0.000 0.000) 0.000 16.598 ( 0.000 0.000 0.000) 0.000 16.946 ( 0.000 0.000 0.000) 0.000 20.467 ( 0.000 0.000 0.000) 0.000 21.062 ( 0.000 0.000 0.000) 0.000 21.218 ( 0.000 0.000 0.000) 0.000 21.389 ( 0.000 0.000 0.000) 0.000 21.541 ( 0.000 0.000 0.000) 0.000 21.944 ( 0.000 0.000 0.000) 0.000 22.351 ( 0.000 0.000 0.000) 0.000 22.461 ( 0.000 0.000 0.000) 0.000 22.531 ( 0.000 0.000 0.000) 0.000 22.818 ( 0.000 0.000 0.000) 0.000 23.033 ( 0.000 0.000 0.000) 0.000 23.820 ( 0.000 0.000 0.000) 0.000 23.981 ( 0.000 0.000 0.000) 0.000 24.074 ( 0.000 0.000 0.000) 0.000 25.456 ( 0.000 0.000 0.000) 0.000 27.145 ( 0.000 0.000 0.000) 0.000 27.226 ( 0.000 0.000 0.000) 0.000 27.537 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 27.911 0.000 2.849) 28.056 0.581 ( 41.197 0.000 -12.867) 43.160 1.051 ( 31.340 0.000 51.495) 60.282 1.713 ( 13.094 0.000 30.934) 33.591 2.038 ( 9.423 0.000 4.137) 10.291 2.095 ( 12.695 0.000 -1.446) 12.777 2.467 ( 10.897 0.000 -2.247) 11.126 2.588 ( 4.422 0.000 4.089) 6.023 2.687 ( 0.659 0.000 -1.551) 1.686 3.190 ( 0.836 0.000 9.319) 9.357 3.482 ( -4.723 0.000 -2.739) 5.460 3.592 ( -6.515 0.000 -0.519) 6.536 3.683 ( -4.046 0.000 4.335) 5.930 4.130 ( -13.213 0.000 -3.590) 13.692 4.189 ( -1.236 0.000 0.425) 1.307 4.866 ( 3.350 0.000 8.740) 9.360 5.070 ( 5.719 0.000 -2.654) 6.305 5.158 ( -6.513 0.000 -10.887) 12.687 5.171 ( 8.160 0.000 5.957) 10.103 5.335 ( -2.359 0.000 12.876) 13.090 5.624 ( -4.850 0.000 23.962) 24.448 5.688 ( 0.948 0.000 15.205) 15.235 5.776 ( -10.741 0.000 0.867) 10.776 5.956 ( -1.503 0.000 2.251) 2.707 6.272 ( -0.293 0.000 2.685) 2.701 6.432 ( -0.728 0.000 -4.154) 4.218 6.660 ( -7.749 0.000 -1.486) 7.891 6.822 ( -8.553 0.000 7.661) 11.483 6.954 ( 2.913 0.000 -5.598) 6.310 6.972 ( 10.394 0.000 -6.101) 12.053 7.131 ( 6.426 0.000 3.709) 7.419 7.162 ( -21.638 0.000 48.216) 52.848 7.223 ( -2.002 0.000 1.391) 2.438 7.406 ( 2.154 0.000 2.466) 3.274 7.562 ( -5.294 0.000 6.784) 8.605 7.644 ( -7.261 0.000 1.558) 7.426 7.868 ( 6.651 0.000 1.009) 6.727 7.906 ( -9.574 0.000 22.689) 24.626 8.125 ( -4.902 0.000 -8.213) 9.564 8.335 ( -3.774 0.000 5.288) 6.497 8.485 ( 4.233 0.000 -15.915) 16.468 8.588 ( 10.063 0.000 -9.435) 13.794 8.692 ( -7.653 0.000 -2.800) 8.149 8.714 ( 1.646 0.000 -1.346) 2.126 9.232 ( 31.453 0.000 -39.789) 50.719 9.528 ( -4.559 0.000 8.344) 9.508 9.800 ( 2.690 0.000 -17.552) 17.757 9.830 ( 6.213 0.000 -1.924) 6.504 10.044 ( 24.347 0.000 -31.323) 39.673 10.153 ( 5.667 0.000 6.056) 8.294 10.285 ( -13.485 0.000 9.763) 16.648 10.426 ( -6.200 0.000 1.113) 6.299 10.506 ( 1.970 0.000 7.490) 7.745 10.937 ( 5.917 0.000 -2.707) 6.506 11.067 ( 10.030 0.000 -11.516) 15.271 11.404 ( -7.064 0.000 -9.277) 11.660 11.695 ( 1.488 0.000 9.140) 9.261 12.427 ( -0.802 0.000 -0.107) 0.809 12.814 ( 1.113 0.000 -1.022) 1.511 12.853 ( -1.944 0.000 -5.027) 5.390 12.999 ( -5.563 0.000 -1.588) 5.785 13.432 ( -6.772 0.000 5.695) 8.848 13.703 ( -7.753 0.000 15.762) 17.565 14.396 ( 0.280 0.000 1.748) 1.770 14.600 ( -7.217 0.000 -12.752) 14.653 14.879 ( 2.260 0.000 1.175) 2.547 14.947 ( -5.349 0.000 -3.921) 6.632 15.021 ( 4.687 0.000 -5.111) 6.934 15.226 ( -11.482 0.000 -25.168) 27.663 15.390 ( 11.936 0.000 0.664) 11.955 15.507 ( -16.556 0.000 -17.875) 24.364 15.802 ( -4.834 0.000 8.579) 9.848 16.003 ( 2.262 0.000 -6.489) 6.872 16.242 ( 23.949 0.000 1.794) 24.016 16.682 ( 3.983 0.000 10.898) 11.603 16.693 ( 21.958 0.000 13.918) 25.997 17.073 ( 9.356 0.000 24.245) 25.988 18.880 ( -65.996 0.000 139.169) 154.024 21.016 ( -3.278 0.000 -3.688) 4.934 21.198 ( -1.351 0.000 -2.453) 2.801 21.368 ( -2.539 0.000 0.710) 2.637 21.524 ( -0.873 0.000 -3.177) 3.294 21.949 ( 2.621 0.000 -3.032) 4.008 22.256 ( -15.390 0.000 29.779) 33.521 22.454 ( -1.431 0.000 1.130) 1.824 22.508 ( 2.277 0.000 -7.898) 8.220 22.698 ( 18.757 0.000 -28.997) 34.534 23.043 ( 0.678 0.000 0.662) 0.948 23.823 ( -1.028 0.000 2.636) 2.830 23.829 ( -10.545 0.000 15.961) 19.130 23.970 ( -0.001 0.000 -2.450) 2.450 24.929 ( 6.307 0.000 -38.706) 39.217 25.602 ( 11.308 0.000 3.691) 11.895 27.117 ( -2.352 0.000 -1.070) 2.584 27.218 ( 0.001 0.000 -2.017) 2.017 27.546 ( 1.209 0.000 -0.775) 1.436 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 27.573 0.000 4.473) 27.934 1.141 ( 35.235 0.000 -6.658) 35.858 1.933 ( 23.978 0.000 35.112) 42.518 2.036 ( 10.012 0.000 -0.414) 10.021 2.353 ( 17.696 0.000 -2.447) 17.864 2.456 ( 7.921 0.000 17.230) 18.964 2.609 ( 11.949 0.000 8.649) 14.751 2.721 ( 6.605 0.000 7.183) 9.758 2.737 ( 6.170 0.000 4.184) 7.455 3.296 ( -13.488 0.000 2.966) 13.810 3.330 ( 7.807 0.000 4.288) 8.907 3.527 ( 0.241 0.000 -3.870) 3.878 3.638 ( -9.051 0.000 7.940) 12.040 3.855 ( -13.404 0.000 -1.232) 13.461 4.216 ( 4.284 0.000 2.712) 5.070 4.905 ( -9.732 0.000 -11.949) 15.411 5.030 ( 3.841 0.000 10.281) 10.975 5.146 ( 4.539 0.000 -4.877) 6.663 5.357 ( 5.212 0.000 5.477) 7.561 5.450 ( 6.376 0.000 3.022) 7.056 5.586 ( -7.750 0.000 -1.589) 7.912 5.706 ( 4.387 0.000 0.684) 4.440 5.879 ( -3.977 0.000 -6.292) 7.443 5.929 ( 1.509 0.000 26.267) 26.310 6.352 ( -0.455 0.000 9.655) 9.666 6.369 ( -1.583 0.000 -4.879) 5.130 6.546 ( -5.978 0.000 4.122) 7.261 6.756 ( -6.798 0.000 6.791) 9.609 6.914 ( -1.254 0.000 -5.722) 5.857 7.062 ( -6.118 0.000 -2.277) 6.528 7.071 ( -5.985 0.000 -3.039) 6.713 7.209 ( 11.348 0.000 -10.106) 15.196 7.220 ( -7.724 0.000 8.888) 11.775 7.441 ( -2.820 0.000 2.368) 3.682 7.552 ( -6.289 0.000 8.243) 10.369 7.693 ( 6.093 0.000 9.898) 11.623 7.789 ( -9.487 0.000 0.500) 9.500 8.047 ( 12.010 0.000 6.767) 13.785 8.094 ( 4.804 0.000 -0.420) 4.822 8.324 ( -3.369 0.000 4.071) 5.284 8.508 ( 10.965 0.000 -9.790) 14.700 8.515 ( -9.422 0.000 -0.931) 9.468 8.712 ( 13.738 0.000 -7.530) 15.666 8.760 ( 1.828 0.000 7.877) 8.087 9.379 ( 12.132 0.000 -10.599) 16.110 9.492 ( -7.157 0.000 7.508) 10.372 9.692 ( -1.847 0.000 -6.536) 6.792 9.983 ( 7.800 0.000 5.348) 9.457 10.103 ( -14.572 0.000 7.380) 16.334 10.163 ( 9.185 0.000 -11.533) 14.743 10.171 ( -9.421 0.000 0.113) 9.422 10.449 ( 6.057 0.000 8.310) 10.284 10.628 ( -0.221 0.000 15.915) 15.916 10.998 ( 4.843 0.000 -8.483) 9.768 11.123 ( 11.162 0.000 -16.753) 20.131 11.182 ( -8.511 0.000 -6.393) 10.645 11.787 ( 0.602 0.000 6.716) 6.743 12.405 ( -1.633 0.000 -0.580) 1.732 12.739 ( -3.175 0.000 -9.816) 10.317 12.836 ( -5.862 0.000 -5.002) 7.706 12.849 ( -2.004 0.000 4.063) 4.531 13.389 ( -7.032 0.000 12.553) 14.388 13.705 ( -5.577 0.000 7.986) 9.740 14.348 ( -5.558 0.000 -17.999) 18.837 14.418 ( 0.916 0.000 -0.560) 1.074 14.729 ( -11.287 0.000 -8.789) 14.306 14.830 ( -9.831 0.000 -19.123) 21.502 14.924 ( 1.296 0.000 2.484) 2.801 15.056 ( 5.964 0.000 -6.488) 8.812 15.211 ( -3.797 0.000 -10.563) 11.225 15.643 ( 15.452 0.000 1.152) 15.495 15.800 ( -4.174 0.000 7.993) 9.017 15.979 ( 1.996 0.000 -6.298) 6.607 16.649 ( 18.433 0.000 7.638) 19.953 16.702 ( -2.936 0.000 -2.289) 3.723 17.119 ( 15.789 0.000 7.993) 17.697 17.758 ( 22.221 0.000 56.349) 60.572 19.114 ( -22.370 0.000 74.743) 78.019 20.891 ( -5.167 0.000 -7.849) 9.397 21.106 ( -4.830 0.000 -8.318) 9.618 21.332 ( -1.614 0.000 -0.527) 1.698 21.445 ( -4.272 0.000 -3.658) 5.624 21.992 ( 6.679 0.000 -4.420) 8.010 22.272 ( -6.399 0.000 13.754) 15.169 22.430 ( -3.180 0.000 1.880) 3.695 22.478 ( 2.144 0.000 -6.604) 6.943 22.753 ( 8.873 0.000 -10.293) 13.589 23.059 ( 0.123 0.000 0.799) 0.808 23.785 ( -7.457 0.000 8.264) 11.131 23.833 ( -1.934 0.000 4.832) 5.205 23.942 ( 0.664 0.000 -4.377) 4.427 24.665 ( -5.310 0.000 -19.587) 20.294 25.841 ( 9.555 0.000 9.026) 13.144 27.064 ( -2.613 0.000 -0.172) 2.618 27.183 ( -0.841 0.000 -4.396) 4.476 27.550 ( 0.677 0.000 -2.752) 2.834 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 17.970 0.000 3.428) 18.294 1.625 ( 25.571 0.000 -0.249) 25.572 2.167 ( 9.626 0.000 -5.390) 11.033 2.380 ( -7.721 0.000 -7.874) 11.028 2.393 ( 3.331 0.000 5.039) 6.041 2.569 ( 18.829 0.000 -6.223) 19.831 2.775 ( 4.101 0.000 -0.220) 4.107 2.983 ( -3.030 0.000 3.080) 4.321 3.044 ( 15.043 0.000 18.080) 23.520 3.419 ( 12.305 0.000 38.109) 40.046 3.428 ( -8.169 0.000 4.967) 9.561 3.494 ( 0.248 0.000 -2.703) 2.714 3.568 ( 4.522 0.000 2.643) 5.238 3.739 ( -7.809 0.000 10.926) 13.430 4.412 ( 14.873 0.000 4.364) 15.500 4.608 ( -9.815 0.000 -15.170) 18.068 4.997 ( -11.291 0.000 -13.678) 17.736 5.179 ( 2.019 0.000 9.606) 9.816 5.460 ( -2.419 0.000 0.844) 2.562 5.520 ( -0.061 0.000 5.509) 5.509 5.572 ( 4.616 0.000 2.387) 5.196 5.780 ( 3.956 0.000 -11.785) 12.431 5.815 ( 8.933 0.000 -0.315) 8.938 6.173 ( 1.084 0.000 18.332) 18.364 6.297 ( -0.680 0.000 -4.435) 4.487 6.358 ( -5.289 0.000 5.916) 7.936 6.561 ( -1.024 0.000 6.990) 7.065 6.708 ( -5.011 0.000 1.293) 5.175 6.775 ( -15.585 0.000 -1.251) 15.635 6.816 ( -4.257 0.000 -5.905) 7.280 6.998 ( -4.992 0.000 -3.188) 5.923 7.023 ( -12.919 0.000 -0.453) 12.927 7.281 ( -8.720 0.000 -6.650) 10.967 7.363 ( 16.174 0.000 -10.634) 19.357 7.683 ( 6.327 0.000 10.690) 12.422 7.755 ( -0.449 0.000 2.899) 2.934 7.854 ( 8.202 0.000 -0.985) 8.261 8.184 ( 4.795 0.000 1.917) 5.164 8.211 ( -8.381 0.000 1.686) 8.549 8.284 ( -2.096 0.000 4.865) 5.298 8.550 ( 14.266 0.000 10.757) 17.867 8.655 ( 14.742 0.000 -4.299) 15.356 8.900 ( 14.313 0.000 -4.481) 14.998 8.934 ( 3.912 0.000 17.504) 17.936 9.404 ( 5.336 0.000 -17.420) 18.219 9.440 ( -7.314 0.000 7.592) 10.542 9.648 ( -1.730 0.000 2.070) 2.698 9.869 ( -20.962 0.000 12.951) 24.640 9.897 ( -18.416 0.000 -0.842) 18.435 10.181 ( 4.240 0.000 -12.867) 13.547 10.190 ( 6.087 0.000 7.382) 9.568 10.657 ( 8.036 0.000 8.460) 11.668 10.782 ( -1.269 0.000 19.883) 19.923 10.842 ( -6.871 0.000 -13.397) 15.056 11.106 ( 0.558 0.000 -3.213) 3.261 11.126 ( 8.462 0.000 -18.835) 20.649 11.842 ( 0.689 0.000 3.659) 3.723 12.356 ( -2.819 0.000 -1.894) 3.396 12.571 ( -7.161 0.000 -6.416) 9.615 12.645 ( -6.523 0.000 -5.979) 8.848 12.948 ( 5.505 0.000 5.955) 8.110 13.447 ( -3.504 0.000 19.605) 19.916 13.625 ( -8.322 0.000 -1.762) 8.507 14.091 ( -3.363 0.000 -21.667) 21.926 14.362 ( -3.252 0.000 -6.257) 7.051 14.493 ( -2.562 0.000 -15.585) 15.794 14.654 ( -3.405 0.000 6.056) 6.948 14.968 ( 0.896 0.000 2.852) 2.989 15.098 ( -1.093 0.000 -7.993) 8.067 15.105 ( 5.436 0.000 -4.148) 6.838 15.756 ( -3.037 0.000 4.254) 5.227 15.928 ( 6.804 0.000 -4.400) 8.103 15.979 ( 8.786 0.000 1.554) 8.923 16.595 ( -5.997 0.000 -3.818) 7.110 16.986 ( 13.353 0.000 6.920) 15.040 17.359 ( 7.191 0.000 2.260) 7.538 18.712 ( 24.336 0.000 61.515) 66.154 19.471 ( -4.534 0.000 51.325) 51.524 20.700 ( -5.997 0.000 -13.430) 14.709 20.849 ( -10.271 0.000 -21.398) 23.735 21.305 ( -0.493 0.000 -1.565) 1.641 21.347 ( -4.161 0.000 -0.647) 4.211 22.085 ( 8.799 0.000 -4.459) 9.865 22.288 ( -3.239 0.000 7.496) 8.166 22.379 ( -5.236 0.000 2.456) 5.783 22.461 ( 1.555 0.000 -4.099) 4.384 22.807 ( 6.006 0.000 -5.405) 8.080 23.051 ( -2.013 0.000 0.673) 2.123 23.744 ( -4.184 0.000 5.213) 6.684 23.842 ( -2.439 0.000 5.067) 5.623 23.920 ( 1.664 0.000 -4.444) 4.745 24.414 ( -6.864 0.000 -11.785) 13.639 26.074 ( 7.104 0.000 10.301) 12.513 27.045 ( -0.720 0.000 2.465) 2.567 27.109 ( -1.935 0.000 -6.049) 6.350 27.509 ( -1.144 0.000 -5.145) 5.271 ======================= Grid point 4 (5/128) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 5.048 0.000 0.825) 5.114 1.998 ( 16.560 0.000 4.432) 17.143 2.190 ( -5.017 0.000 -4.275) 6.591 2.265 ( 5.117 0.000 -2.685) 5.779 2.283 ( -10.091 0.000 -5.573) 11.528 2.841 ( 2.944 0.000 0.301) 2.959 2.860 ( 17.888 0.000 -6.426) 19.007 2.929 ( -3.206 0.000 1.868) 3.711 3.181 ( -10.848 0.000 5.469) 12.148 3.428 ( -1.680 0.000 -2.358) 2.895 3.521 ( 11.884 0.000 7.197) 13.893 3.677 ( -2.679 0.000 5.242) 5.887 3.730 ( -2.056 0.000 7.985) 8.246 4.054 ( 17.483 0.000 33.481) 37.771 4.338 ( -5.371 0.000 -11.453) 12.650 4.596 ( -15.080 0.000 -23.505) 27.926 4.746 ( 16.554 0.000 4.666) 17.199 5.227 ( -15.346 0.000 -3.018) 15.640 5.259 ( 0.249 0.000 3.774) 3.782 5.646 ( 1.896 0.000 1.442) 2.382 5.678 ( 2.362 0.000 11.420) 11.662 5.765 ( 6.220 0.000 -13.791) 15.129 6.000 ( 9.553 0.000 3.916) 10.324 6.189 ( -1.317 0.000 -2.111) 2.488 6.310 ( -3.379 0.000 -2.176) 4.019 6.345 ( -0.704 0.000 4.269) 4.327 6.462 ( -9.884 0.000 -1.851) 10.056 6.564 ( -7.769 0.000 3.943) 8.712 6.698 ( 1.400 0.000 4.777) 4.978 6.741 ( 0.655 0.000 -2.277) 2.369 6.878 ( -4.198 0.000 -3.728) 5.615 6.914 ( -2.707 0.000 -0.384) 2.734 7.126 ( -3.701 0.000 -1.758) 4.097 7.522 ( 9.587 0.000 -4.791) 10.718 7.731 ( -0.235 0.000 -1.848) 1.863 7.873 ( 3.595 0.000 5.107) 6.246 7.900 ( -0.399 0.000 -4.255) 4.273 8.137 ( -2.577 0.000 8.726) 9.098 8.237 ( -2.889 0.000 -3.122) 4.254 8.264 ( 1.919 0.000 1.387) 2.368 8.937 ( 17.182 0.000 3.739) 17.584 8.972 ( 20.336 0.000 4.519) 20.832 9.083 ( 8.845 0.000 2.382) 9.160 9.155 ( -0.277 0.000 20.719) 20.721 9.276 ( 2.648 0.000 -22.971) 23.124 9.385 ( -5.360 0.000 4.917) 7.274 9.463 ( -15.518 0.000 -3.602) 15.930 9.525 ( -20.763 0.000 -4.997) 21.355 9.852 ( -1.369 0.000 19.684) 19.731 10.063 ( -1.632 0.000 -16.144) 16.227 10.341 ( 3.284 0.000 6.483) 7.267 10.632 ( -3.973 0.000 -8.933) 9.776 10.853 ( 5.494 0.000 6.837) 8.771 10.929 ( -2.512 0.000 17.758) 17.935 11.052 ( -2.354 0.000 -4.783) 5.331 11.072 ( 5.112 0.000 -17.054) 17.803 11.883 ( 1.018 0.000 1.484) 1.800 12.292 ( -1.965 0.000 -1.511) 2.479 12.439 ( -3.700 0.000 -0.644) 3.755 12.522 ( -1.838 0.000 -4.421) 4.788 13.141 ( 8.439 0.000 10.120) 13.177 13.402 ( -10.091 0.000 -10.334) 14.444 13.615 ( -0.553 0.000 23.488) 23.494 13.842 ( -1.398 0.000 -23.784) 23.825 14.291 ( -2.705 0.000 2.608) 3.758 14.365 ( 1.416 0.000 -10.346) 10.442 14.705 ( 0.053 0.000 5.857) 5.857 14.999 ( 0.413 0.000 1.265) 1.330 15.019 ( -0.747 0.000 -4.729) 4.787 15.149 ( 2.214 0.000 -1.260) 2.547 15.751 ( -0.957 0.000 2.489) 2.667 15.899 ( -0.314 0.000 -3.578) 3.592 16.223 ( 12.200 0.000 2.961) 12.554 16.437 ( -8.827 0.000 -3.312) 9.428 17.209 ( 6.266 0.000 3.747) 7.300 17.420 ( 0.475 0.000 -0.849) 0.973 19.627 ( 21.033 0.000 51.989) 56.083 19.840 ( 2.231 0.000 27.434) 27.525 20.362 ( -15.793 0.000 -36.741) 39.992 20.463 ( -4.640 0.000 -14.607) 15.326 21.281 ( -0.893 0.000 -0.545) 1.046 21.306 ( -0.757 0.000 0.039) 0.758 22.196 ( 8.661 0.000 -3.938) 9.514 22.298 ( -1.074 0.000 2.547) 2.764 22.299 ( -7.244 0.000 3.164) 7.905 22.454 ( 0.578 0.000 -1.422) 1.535 22.854 ( 3.229 0.000 -2.225) 3.922 23.012 ( -2.406 0.000 0.539) 2.466 23.742 ( -0.713 0.000 2.286) 2.395 23.843 ( -1.100 0.000 1.928) 2.220 23.916 ( 0.894 0.000 -1.611) 1.842 24.245 ( -3.360 0.000 -4.521) 5.633 26.240 ( 3.021 0.000 5.216) 6.028 27.029 ( -1.330 0.000 -3.544) 3.786 27.075 ( 0.577 0.000 2.602) 2.665 27.438 ( -1.349 0.000 -3.689) 3.928 ======================= Grid point 9 (6/128) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 0.000 16.745 0.000) 16.745 0.534 ( 0.000 27.120 0.000) 27.120 1.269 ( 0.000 65.988 0.000) 65.988 1.354 ( 0.000 -4.275 0.000) 4.275 1.880 ( 0.000 -8.636 0.000) 8.636 2.046 ( 0.000 5.491 0.000) 5.491 2.353 ( 0.000 -0.199 0.000) 0.199 2.500 ( 0.000 -2.372 0.000) 2.372 2.724 ( 0.000 2.659 0.000) 2.659 2.781 ( 0.000 5.701 0.000) 5.701 3.432 ( 0.000 -9.694 0.000) 9.694 3.704 ( 0.000 3.555 0.000) 3.555 3.766 ( 0.000 5.890 0.000) 5.890 4.218 ( 0.000 -4.013 0.000) 4.013 4.233 ( 0.000 1.738 0.000) 1.738 4.312 ( 0.000 7.402 0.000) 7.402 4.666 ( 0.000 -9.638 0.000) 9.638 5.053 ( 0.000 -1.619 0.000) 1.619 5.112 ( 0.000 -5.587 0.000) 5.587 5.234 ( 0.000 -4.328 0.000) 4.328 5.255 ( 0.000 -1.112 0.000) 1.112 5.555 ( 0.000 -6.403 0.000) 6.403 5.844 ( 0.000 -3.712 0.000) 3.712 5.983 ( 0.000 1.403 0.000) 1.403 6.081 ( 0.000 -5.527 0.000) 5.527 6.360 ( 0.000 7.764 0.000) 7.764 6.435 ( 0.000 -2.049 0.000) 2.049 6.689 ( 0.000 -15.516 0.000) 15.516 6.830 ( 0.000 -1.841 0.000) 1.841 6.856 ( 0.000 -6.078 0.000) 6.078 6.966 ( 0.000 -9.477 0.000) 9.477 7.059 ( 0.000 5.359 0.000) 5.359 7.223 ( 0.000 11.002 0.000) 11.002 7.399 ( 0.000 -3.929 0.000) 3.929 7.454 ( 0.000 3.187 0.000) 3.187 7.652 ( 0.000 0.678 0.000) 0.678 7.667 ( 0.000 -1.654 0.000) 1.654 8.161 ( 0.000 -3.853 0.000) 3.853 8.285 ( 0.000 9.942 0.000) 9.942 8.416 ( 0.000 -2.303 0.000) 2.303 8.514 ( 0.000 0.924 0.000) 0.924 8.590 ( 0.000 -0.250 0.000) 0.250 8.740 ( 0.000 6.797 0.000) 6.797 8.806 ( 0.000 8.645 0.000) 8.645 9.189 ( 0.000 -2.519 0.000) 2.519 9.480 ( 0.000 -3.105 0.000) 3.105 9.654 ( 0.000 -7.373 0.000) 7.373 9.716 ( 0.000 -12.750 0.000) 12.750 9.883 ( 0.000 6.035 0.000) 6.035 10.253 ( 0.000 9.675 0.000) 9.675 10.379 ( 0.000 2.541 0.000) 2.541 10.447 ( 0.000 2.459 0.000) 2.459 10.551 ( 0.000 7.211 0.000) 7.211 10.963 ( 0.000 -6.389 0.000) 6.389 11.326 ( 0.000 -4.920 0.000) 4.920 11.497 ( 0.000 -7.350 0.000) 7.350 12.505 ( 0.000 7.247 0.000) 7.247 12.819 ( 0.000 1.916 0.000) 1.916 12.899 ( 0.000 0.323 0.000) 0.323 13.130 ( 0.000 8.335 0.000) 8.335 13.237 ( 0.000 7.775 0.000) 7.775 13.354 ( 0.000 -6.030 0.000) 6.030 14.210 ( 0.000 -15.056 0.000) 15.056 14.369 ( 0.000 0.865 0.000) 0.865 14.714 ( 0.000 -14.952 0.000) 14.952 14.783 ( 0.000 -2.464 0.000) 2.464 14.959 ( 0.000 -1.948 0.000) 1.948 15.047 ( 0.000 -11.394 0.000) 11.394 15.177 ( 0.000 4.942 0.000) 4.942 15.445 ( 0.000 5.251 0.000) 5.251 15.595 ( 0.000 5.469 0.000) 5.469 15.984 ( 0.000 13.932 0.000) 13.932 15.986 ( 0.000 -0.951 0.000) 0.951 16.045 ( 0.000 3.663 0.000) 3.663 16.202 ( 0.000 -3.825 0.000) 3.825 16.614 ( 0.000 1.839 0.000) 1.839 16.676 ( 0.000 7.176 0.000) 7.176 16.907 ( 0.000 -4.122 0.000) 4.122 20.506 ( 0.000 4.072 0.000) 4.072 21.013 ( 0.000 -4.945 0.000) 4.945 21.381 ( 0.000 2.735 0.000) 2.735 21.535 ( 0.000 -0.649 0.000) 0.649 21.880 ( 0.000 -0.381 0.000) 0.381 21.934 ( 0.000 -0.962 0.000) 0.962 22.370 ( 0.000 1.978 0.000) 1.978 22.534 ( 0.000 0.091 0.000) 0.091 22.857 ( 0.000 3.862 0.000) 3.862 23.031 ( 0.000 -0.100 0.000) 0.100 23.776 ( 0.000 1.795 0.000) 1.795 23.933 ( 0.000 -3.002 0.000) 3.002 24.174 ( 0.000 8.510 0.000) 8.510 25.283 ( 0.000 -15.406 0.000) 15.406 26.270 ( 0.000 12.979 0.000) 12.979 27.100 ( 0.000 -4.774 0.000) 4.774 27.225 ( 0.000 0.111 0.000) 0.111 27.497 ( 0.000 -4.113 0.000) 4.113 ======================= Grid point 10 (7/128) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 9.077 22.958 7.394) 25.770 0.949 ( 34.248 11.171 7.650) 36.828 1.468 ( 13.672 41.366 21.732) 48.686 1.668 ( 14.068 -2.386 27.686) 31.147 1.959 ( 10.271 -8.164 4.106) 13.748 2.126 ( 10.113 3.274 -0.146) 10.631 2.475 ( 9.661 0.712 1.148) 9.755 2.546 ( 1.028 -3.998 2.351) 4.751 2.713 ( 2.626 2.104 -2.269) 4.058 3.136 ( 8.511 -2.963 11.961) 14.976 3.412 ( -2.081 -7.193 -1.659) 7.669 3.613 ( -8.665 2.694 0.386) 9.082 3.740 ( -4.089 4.825 2.195) 6.694 4.084 ( -13.501 -4.929 -2.330) 14.560 4.226 ( -0.791 3.858 0.822) 4.023 4.682 ( 5.105 -13.958 11.016) 18.500 5.035 ( -3.104 -10.743 -6.571) 12.971 5.089 ( 4.973 -3.780 5.080) 8.052 5.172 ( 9.657 -11.056 28.618) 32.163 5.251 ( 3.180 -5.619 12.434) 14.010 5.397 ( 9.307 -0.545 7.813) 12.163 5.552 ( -0.517 -8.328 2.776) 8.794 5.824 ( -2.731 1.319 2.309) 3.812 5.964 ( -1.143 0.777 0.458) 1.456 6.314 ( 6.474 -3.897 -1.723) 7.750 6.399 ( -4.148 -1.975 3.865) 6.004 6.535 ( 4.114 -6.097 9.295) 11.853 6.608 ( 2.270 -19.525 16.633) 25.749 6.836 ( 3.319 -5.702 -2.662) 7.115 6.910 ( 2.142 -6.041 -0.679) 6.445 7.008 ( 2.125 4.095 0.276) 4.621 7.088 ( 8.100 -4.330 -2.073) 9.416 7.291 ( 1.173 3.760 1.441) 4.194 7.393 ( -1.307 -0.901 1.494) 2.180 7.467 ( 5.297 -3.813 -5.910) 8.805 7.654 ( 1.224 -2.195 -0.609) 2.586 7.692 ( 1.025 3.746 2.450) 4.592 8.080 ( -12.795 1.691 10.001) 16.328 8.154 ( -5.628 5.845 -4.561) 9.308 8.323 ( -3.250 -1.246 -3.012) 4.603 8.587 ( 1.504 2.066 -0.619) 2.629 8.613 ( 6.023 0.923 -9.653) 11.416 8.729 ( -2.888 7.747 2.418) 8.614 8.796 ( -0.294 7.170 -1.043) 7.252 9.202 ( 8.967 -2.101 -9.111) 12.955 9.475 ( -5.284 -5.553 5.727) 9.569 9.615 ( 0.780 -9.824 -4.389) 10.788 9.811 ( 8.111 -11.250 1.295) 13.929 9.944 ( 4.651 6.333 2.547) 8.260 10.251 ( -5.823 2.993 5.085) 8.290 10.393 ( -1.090 11.261 5.721) 12.678 10.444 ( -3.549 1.410 1.840) 4.239 10.515 ( -4.376 1.946 8.601) 9.844 11.000 ( 9.859 -4.720 -11.899) 16.158 11.259 ( -1.542 -1.021 -5.449) 5.754 11.519 ( -0.917 -4.278 -1.141) 4.521 12.233 ( -21.696 47.699 -44.536) 68.771 12.527 ( -1.549 12.216 -4.062) 12.967 12.830 ( 1.030 1.808 -2.289) 3.094 12.893 ( -3.238 5.480 -3.978) 7.506 13.065 ( -7.306 6.934 -2.196) 10.310 13.379 ( -7.838 -5.304 4.660) 10.549 13.728 ( -11.002 1.950 13.119) 17.232 14.209 ( -0.217 -15.390 -0.867) 15.416 14.595 ( -7.485 -3.461 -5.111) 9.702 14.716 ( -1.746 -12.651 -5.350) 13.846 15.013 ( 4.096 2.886 -4.539) 6.761 15.033 ( -1.951 2.868 -6.723) 7.565 15.266 ( 3.975 -1.168 -18.776) 19.228 15.354 ( -7.817 0.443 -9.994) 12.696 15.540 ( -5.513 2.436 -7.409) 9.551 15.832 ( -4.845 2.069 7.088) 8.831 16.052 ( 2.333 5.982 -6.640) 9.237 16.329 ( 20.560 7.113 7.832) 23.122 16.605 ( 17.661 -3.673 21.402) 27.990 16.721 ( 5.651 -0.660 -1.221) 5.819 17.088 ( 12.494 1.486 31.097) 33.547 18.103 ( 4.589 -53.390 122.485) 133.694 20.843 ( 26.015 -15.513 -1.489) 30.326 20.984 ( -1.728 -3.312 -3.082) 4.843 21.368 ( -1.118 1.473 -0.634) 1.955 21.490 ( -3.805 -1.305 -2.419) 4.694 21.905 ( 0.485 -3.211 2.084) 3.859 21.986 ( 6.712 -5.196 -0.444) 8.500 22.375 ( 1.295 1.362 -1.175) 2.216 22.524 ( -0.046 0.133 -1.891) 1.897 22.869 ( 1.852 5.679 -1.019) 6.059 23.049 ( 1.309 0.146 0.626) 1.458 23.788 ( -1.027 1.306 3.986) 4.318 23.925 ( -1.520 -1.538 0.883) 2.336 24.110 ( -7.137 10.522 0.498) 12.724 25.011 ( -16.478 -5.739 -20.275) 26.750 25.958 ( -8.518 26.025 -4.304) 27.719 27.039 ( -5.735 -7.058 -0.345) 9.101 27.250 ( 3.261 2.321 -2.737) 4.849 27.540 ( 4.115 -2.066 -3.229) 5.624 ======================= Grid point 11 (8/128) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 20.333 8.741 4.114) 22.512 1.460 ( 28.156 14.411 -7.746) 32.565 1.965 ( 11.241 -5.729 0.524) 12.627 2.041 ( 16.857 8.531 27.186) 33.106 2.326 ( 14.542 -3.312 -0.606) 14.927 2.424 ( 6.037 -0.885 19.668) 20.593 2.547 ( 9.360 -6.411 8.845) 14.386 2.689 ( 8.756 -1.193 8.853) 12.508 2.774 ( 5.290 2.556 2.256) 6.294 3.265 ( -9.017 -2.178 0.299) 9.281 3.351 ( 5.928 1.238 3.251) 6.874 3.529 ( -1.372 0.823 -0.337) 1.635 3.682 ( -6.563 3.436 5.610) 9.292 3.819 ( -13.545 -3.766 0.727) 14.078 4.263 ( 4.204 4.798 3.194) 7.134 4.825 ( -4.627 -9.132 -2.688) 10.584 4.850 ( 0.375 -10.173 -3.370) 10.723 5.186 ( 4.118 -8.083 2.507) 9.412 5.288 ( -1.415 -2.394 -0.000) 2.781 5.455 ( 2.832 5.430 7.588) 9.751 5.584 ( 7.808 -2.532 5.621) 9.949 5.682 ( 0.543 -9.005 9.480) 13.087 5.820 ( -1.157 5.819 4.349) 7.357 6.001 ( 4.570 3.066 7.318) 9.156 6.290 ( -2.831 -6.654 -1.949) 7.489 6.388 ( -5.994 -5.113 3.717) 8.711 6.489 ( -0.827 3.909 7.361) 8.376 6.793 ( -1.046 -0.713 0.658) 1.426 6.862 ( -1.787 -3.508 1.064) 4.078 7.044 ( 4.466 -4.916 0.299) 6.648 7.047 ( 1.882 -5.060 0.737) 5.449 7.105 ( -8.199 -0.651 -1.639) 8.386 7.295 ( 6.830 -0.072 1.955) 7.105 7.418 ( -0.435 -1.667 -1.329) 2.175 7.471 ( 0.702 -4.703 -2.394) 5.323 7.674 ( 3.467 -5.186 -5.763) 8.493 7.712 ( -1.120 0.550 5.913) 6.043 8.042 ( 3.744 1.829 -4.009) 5.782 8.145 ( 5.127 4.451 11.326) 13.205 8.306 ( 0.177 -1.387 2.668) 3.013 8.462 ( -7.415 -1.616 -3.368) 8.303 8.673 ( 1.559 8.842 -3.314) 9.571 8.758 ( 10.802 5.163 -3.635) 12.513 8.814 ( 0.682 4.911 6.691) 8.328 9.290 ( 5.822 -5.983 -3.306) 8.980 9.420 ( -5.209 -6.782 4.520) 9.673 9.594 ( -1.830 -7.800 0.596) 8.033 9.960 ( 7.007 -10.759 0.806) 12.865 10.064 ( 1.355 3.929 8.413) 9.384 10.129 ( -11.298 1.349 2.508) 11.652 10.263 ( -10.998 6.403 0.171) 12.727 10.533 ( 4.606 7.892 8.649) 12.582 10.605 ( 0.054 -2.064 14.567) 14.713 11.046 ( 9.148 -3.521 -14.371) 17.395 11.188 ( -3.697 -0.653 -6.750) 7.723 11.361 ( -2.998 15.176 -17.300) 23.207 11.882 ( -0.945 17.151 -4.535) 17.765 12.492 ( -1.496 8.473 -2.082) 8.852 12.762 ( -3.932 1.993 -9.782) 10.730 12.850 ( -2.922 1.166 -4.157) 5.213 12.873 ( -7.852 3.185 2.394) 8.805 13.322 ( -5.799 -5.819 10.688) 13.480 13.727 ( -4.938 0.701 7.635) 9.120 14.150 ( -2.073 -13.771 -9.801) 17.030 14.462 ( -2.889 -1.483 -2.058) 3.845 14.594 ( -6.163 -11.399 -7.397) 14.921 14.817 ( -7.583 2.634 -13.717) 15.893 15.042 ( -2.195 4.603 -10.366) 11.552 15.074 ( 6.025 2.669 -7.598) 10.058 15.184 ( -3.894 -1.882 -7.345) 8.524 15.659 ( 14.216 1.289 1.244) 14.328 15.834 ( -4.679 2.765 9.286) 10.760 16.018 ( 1.496 4.856 -6.871) 8.546 16.631 ( -0.318 -5.087 1.501) 5.313 16.772 ( 14.716 9.328 3.762) 17.825 17.101 ( 16.828 -1.297 10.979) 20.135 17.802 ( 22.292 4.260 55.736) 60.180 18.876 ( -7.648 -22.542 75.024) 78.710 20.891 ( -3.579 0.045 -7.599) 8.399 21.084 ( 4.656 -2.616 -3.531) 6.402 21.335 ( -1.977 0.277 -0.650) 2.100 21.374 ( -4.214 -5.763 -5.988) 9.318 21.948 ( 4.821 -3.979 -1.558) 6.442 22.098 ( 3.262 -9.999 4.353) 11.383 22.390 ( 1.487 0.546 -1.041) 1.896 22.501 ( -0.083 0.383 -2.887) 2.913 22.893 ( 2.231 8.108 -1.964) 8.636 23.070 ( 0.397 0.863 0.328) 1.005 23.798 ( -3.946 1.298 5.979) 7.280 23.894 ( -4.282 2.193 2.835) 5.584 23.987 ( -4.338 6.300 -3.285) 8.324 24.599 ( -10.161 -6.749 -17.568) 21.387 25.957 ( 3.056 11.169 6.186) 13.128 26.934 ( -5.532 -10.236 -0.728) 11.657 27.266 ( 1.986 5.364 -3.724) 6.825 27.559 ( 1.924 0.048 -4.054) 4.487 ======================= Grid point 12 (9/128) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 19.647 -4.454 2.114) 20.256 1.781 ( 16.132 7.091 -3.392) 17.945 2.102 ( 8.882 -6.639 -4.633) 12.018 2.327 ( -7.040 -4.625 -3.395) 9.082 2.381 ( -1.728 -2.109 -0.384) 2.753 2.512 ( 17.729 -5.583 -3.158) 18.854 2.751 ( 4.801 -2.121 -3.214) 6.155 2.950 ( -0.620 -0.302 6.466) 6.503 3.105 ( 9.106 -0.264 20.710) 22.625 3.254 ( 2.572 -6.407 23.381) 24.379 3.452 ( 1.712 -0.832 -1.208) 2.255 3.511 ( 5.694 1.932 6.987) 9.218 3.642 ( -4.894 0.884 8.467) 9.820 3.771 ( -0.055 5.148 11.051) 12.191 4.443 ( 12.657 2.386 3.971) 13.478 4.575 ( -7.957 -3.383 -14.458) 16.846 4.822 ( -5.883 -10.796 -8.916) 15.187 5.221 ( -0.497 -8.611 2.162) 8.892 5.332 ( 3.433 -0.448 6.058) 6.978 5.487 ( -5.614 3.181 2.910) 7.079 5.675 ( -2.816 -3.951 0.537) 4.882 5.776 ( 9.239 -1.041 4.335) 10.258 5.871 ( 4.443 10.329 -0.170) 11.245 6.157 ( -0.640 -4.204 3.845) 5.733 6.263 ( 2.426 -0.381 4.880) 5.463 6.367 ( 2.946 -1.152 -0.326) 3.180 6.537 ( -3.192 3.120 7.939) 9.108 6.724 ( -9.258 -4.002 -3.915) 10.819 6.815 ( -7.160 6.979 0.082) 9.999 6.853 ( -5.813 3.107 -0.416) 6.604 6.991 ( -7.822 -1.069 -1.405) 8.019 7.042 ( -2.427 0.341 -4.111) 4.786 7.302 ( -2.441 2.776 -5.823) 6.897 7.432 ( 9.067 5.225 -8.766) 13.652 7.607 ( 6.761 -9.863 7.849) 14.304 7.666 ( 2.201 -1.347 0.361) 2.605 7.833 ( 8.966 -5.960 0.308) 10.771 8.109 ( 3.949 -3.405 -2.086) 5.616 8.221 ( -6.061 0.179 0.997) 6.145 8.315 ( -4.211 -0.373 3.885) 5.741 8.531 ( 15.529 -0.099 10.185) 18.571 8.734 ( 7.873 6.860 0.889) 10.480 8.929 ( 10.727 2.550 2.760) 11.366 8.960 ( 5.639 2.102 9.725) 11.437 9.281 ( -1.540 -7.951 -5.708) 9.908 9.405 ( -1.574 -3.560 2.182) 4.463 9.593 ( -1.899 -6.417 7.753) 10.242 9.893 ( -17.497 0.608 4.369) 18.045 9.931 ( -17.866 3.772 2.766) 18.468 10.059 ( 3.745 -9.715 -8.549) 13.472 10.270 ( 4.463 7.622 6.276) 10.835 10.698 ( 3.991 2.657 10.672) 11.699 10.753 ( 0.529 -1.475 16.031) 16.107 10.932 ( -9.587 4.598 -12.039) 16.062 11.053 ( 6.308 -1.773 -16.714) 17.953 11.250 ( 1.188 7.197 -10.261) 12.590 11.897 ( 2.149 7.744 1.843) 8.245 12.426 ( -3.153 6.525 -3.330) 7.976 12.580 ( -7.829 1.099 -6.776) 10.412 12.631 ( -7.358 -1.605 -6.885) 10.204 12.951 ( 4.730 0.758 5.963) 7.649 13.378 ( -2.043 -4.918 14.563) 15.506 13.643 ( -8.386 -0.801 -1.631) 8.580 13.977 ( -2.894 -9.592 -17.126) 19.842 14.374 ( -4.778 -0.920 -2.085) 5.294 14.490 ( 0.856 0.266 -8.606) 8.653 14.635 ( -2.705 -0.256 -0.817) 2.837 14.987 ( 1.831 -0.185 -3.977) 4.382 15.080 ( -2.677 -0.419 -4.501) 5.254 15.113 ( 4.695 0.680 -4.579) 6.593 15.824 ( -3.533 5.759 5.386) 8.640 15.924 ( 13.048 -1.133 0.321) 13.101 15.989 ( 2.012 2.851 -3.063) 4.643 16.542 ( -5.775 -5.365 -3.651) 8.687 17.077 ( 12.744 8.606 6.232) 16.592 17.375 ( 8.069 1.439 3.549) 8.931 18.750 ( 24.097 3.916 60.881) 65.594 19.385 ( 0.487 -8.460 51.505) 52.198 20.719 ( -5.415 2.251 -13.846) 15.037 20.924 ( -10.316 6.896 -18.056) 21.909 21.299 ( -1.882 -4.438 -0.464) 4.843 21.309 ( 0.480 -0.483 -1.476) 1.626 22.033 ( 7.246 -5.016 -2.991) 9.306 22.167 ( -0.186 -8.262 5.350) 9.845 22.399 ( -0.359 1.199 0.325) 1.293 22.471 ( 0.359 0.547 -3.616) 3.675 22.903 ( 1.692 7.724 -2.810) 8.392 23.066 ( -1.227 1.506 0.358) 1.976 23.746 ( -6.306 0.145 3.381) 7.157 23.848 ( -4.155 0.132 3.416) 5.381 23.932 ( 0.987 1.478 -3.537) 3.959 24.339 ( -6.030 -7.227 -10.055) 13.773 26.101 ( 4.755 3.249 8.530) 10.292 26.851 ( -3.470 -12.541 -0.651) 13.029 27.256 ( 0.869 7.866 -2.741) 8.375 27.526 ( -0.589 1.127 -5.375) 5.524 ======================= Grid point 13 (10/128) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 7.001 -9.924 -0.723) 12.166 1.981 ( 9.894 -2.585 1.797) 10.383 2.148 ( -3.149 -5.794 -0.802) 6.643 2.183 ( -3.829 -6.544 -3.259) 8.253 2.286 ( -1.135 0.192 -4.494) 4.639 2.735 ( 7.613 -7.584 -0.965) 10.790 2.812 ( 7.249 -5.018 -6.285) 10.827 2.911 ( -3.179 -1.412 2.371) 4.210 3.151 ( -7.436 -2.772 5.167) 9.469 3.439 ( -0.369 -0.599 2.549) 2.644 3.562 ( 7.695 -0.968 -0.049) 7.756 3.658 ( 0.170 2.906 13.374) 13.687 3.796 ( 1.199 4.362 8.393) 9.534 4.023 ( 13.789 -3.105 24.041) 27.889 4.333 ( -4.402 -0.757 -11.504) 12.341 4.477 ( -13.029 -11.402 -14.981) 22.895 4.777 ( 16.493 4.714 -3.370) 17.481 5.167 ( -10.944 -3.464 3.585) 12.026 5.361 ( -4.310 6.325 2.684) 8.111 5.477 ( 4.040 -7.622 1.467) 8.750 5.649 ( -0.078 -4.141 -1.629) 4.451 5.932 ( 3.267 10.884 -1.591) 11.475 5.968 ( 3.952 -4.118 9.749) 11.296 6.131 ( 5.419 -5.738 -7.895) 11.163 6.308 ( -6.924 2.649 0.124) 7.414 6.409 ( -0.901 0.828 -1.829) 2.200 6.486 ( -2.586 1.787 -0.399) 3.168 6.550 ( -4.779 2.095 6.500) 8.335 6.751 ( -3.719 7.079 1.262) 8.096 6.796 ( 2.370 5.151 -0.514) 5.693 6.878 ( -4.338 1.622 -2.465) 5.247 6.996 ( -0.627 4.845 -1.069) 5.001 7.212 ( -2.458 8.225 -1.030) 8.645 7.531 ( 7.484 -5.201 -4.700) 10.254 7.616 ( -0.698 -0.451 -2.041) 2.204 7.814 ( 4.257 -5.327 2.576) 7.290 7.960 ( 6.947 -2.298 -3.722) 8.209 8.041 ( -8.429 -5.656 6.395) 11.997 8.221 ( 2.650 -0.857 -1.656) 3.240 8.279 ( -2.567 -1.195 1.783) 3.346 8.865 ( 12.160 -5.137 2.711) 13.476 8.961 ( 13.151 -0.248 4.651) 13.951 9.115 ( -2.504 -3.157 15.562) 16.075 9.156 ( 4.498 3.543 7.776) 9.656 9.183 ( 8.313 -6.054 -15.061) 18.237 9.385 ( -2.128 1.189 -0.782) 2.560 9.518 ( -13.506 3.602 -1.686) 14.080 9.624 ( -14.803 8.556 -3.765) 17.507 9.784 ( -1.567 -6.281 17.516) 18.674 9.970 ( -1.669 -8.510 -14.580) 16.964 10.396 ( 2.637 5.589 6.147) 8.717 10.688 ( -4.319 5.133 -9.020) 11.241 10.862 ( -0.642 -2.879 15.933) 16.204 10.902 ( 2.056 0.918 8.654) 8.942 10.986 ( 3.428 -2.429 -16.031) 16.572 11.163 ( -1.209 3.242 -7.113) 7.910 11.956 ( 1.865 7.799 1.794) 8.217 12.348 ( -1.857 5.586 -2.682) 6.468 12.436 ( -4.443 -0.009 0.100) 4.444 12.494 ( -1.816 -2.949 -5.440) 6.449 13.129 ( 7.661 -0.866 9.725) 12.410 13.372 ( -8.133 -2.151 -8.140) 11.706 13.568 ( -1.545 -5.808 16.060) 17.148 13.767 ( -1.504 -6.824 -18.918) 20.168 14.339 ( -3.863 3.820 9.425) 10.879 14.398 ( 3.107 4.181 -15.061) 15.936 14.675 ( 0.419 -2.639 5.699) 6.294 14.971 ( 0.776 -4.475 -5.604) 7.213 15.027 ( -1.067 2.127 1.093) 2.619 15.142 ( 1.763 -0.765 -1.494) 2.434 15.814 ( -1.396 5.874 2.062) 6.380 15.948 ( 0.302 4.834 -2.783) 5.586 16.181 ( 11.147 -3.938 3.282) 12.269 16.390 ( -8.175 -4.608 -3.556) 10.035 17.285 ( 5.842 7.188 3.343) 9.848 17.457 ( 1.026 3.417 -0.261) 3.577 19.637 ( 18.825 1.049 47.326) 50.943 19.806 ( 4.504 -2.953 27.093) 27.623 20.410 ( -11.741 4.834 -30.364) 32.912 20.545 ( -7.772 7.398 -15.080) 18.508 21.274 ( -0.874 -0.754 0.205) 1.172 21.312 ( 0.467 0.599 -0.506) 0.912 22.116 ( 4.570 -7.017 -2.341) 8.695 22.196 ( -1.024 -5.415 3.512) 6.535 22.377 ( -1.747 3.013 0.101) 3.484 22.459 ( 0.825 0.336 -1.643) 1.869 22.904 ( 0.923 4.689 -1.617) 5.045 23.043 ( -1.381 3.112 0.359) 3.424 23.692 ( -1.967 -4.910 0.798) 5.350 23.813 ( -2.099 -3.471 1.122) 4.209 23.931 ( 0.754 1.585 -0.998) 2.020 24.210 ( -2.110 -3.455 -3.136) 5.121 26.232 ( 2.454 -0.161 4.507) 5.134 26.803 ( -1.330 -13.364 -0.755) 13.451 27.258 ( 0.685 9.037 -0.030) 9.063 27.460 ( -1.249 1.848 -3.631) 4.261 ======================= Grid point 18 (11/128) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.000 19.118 0.000) 19.118 0.986 ( 0.000 21.143 0.000) 21.143 1.224 ( 0.000 -9.763 0.000) 9.763 1.647 ( 0.000 -15.659 0.000) 15.659 2.153 ( 0.000 8.486 0.000) 8.486 2.373 ( 0.000 -0.667 0.000) 0.667 2.445 ( 0.000 55.689 0.000) 55.689 2.467 ( 0.000 2.910 0.000) 2.910 2.757 ( 0.000 -0.758 0.000) 0.758 2.901 ( 0.000 6.333 0.000) 6.333 3.200 ( 0.000 -13.322 0.000) 13.322 3.792 ( 0.000 -9.011 0.000) 9.011 3.811 ( 0.000 7.933 0.000) 7.933 4.094 ( 0.000 -5.957 0.000) 5.957 4.302 ( 0.000 4.219 0.000) 4.219 4.492 ( 0.000 11.060 0.000) 11.060 4.496 ( 0.000 -7.927 0.000) 7.927 4.911 ( 0.000 -11.870 0.000) 11.870 4.951 ( 0.000 -5.252 0.000) 5.252 5.152 ( 0.000 -11.384 0.000) 11.384 5.274 ( 0.000 6.459 0.000) 6.459 5.527 ( 0.000 0.169 0.000) 0.169 5.754 ( 0.000 -2.855 0.000) 2.855 5.953 ( 0.000 -7.664 0.000) 7.664 6.065 ( 0.000 7.849 0.000) 7.849 6.351 ( 0.000 -11.086 0.000) 11.086 6.409 ( 0.000 -6.621 0.000) 6.621 6.504 ( 0.000 5.024 0.000) 5.024 6.566 ( 0.000 -16.686 0.000) 16.686 6.743 ( 0.000 -7.490 0.000) 7.490 6.965 ( 0.000 4.604 0.000) 4.604 7.092 ( 0.000 -1.116 0.000) 1.116 7.380 ( 0.000 1.874 0.000) 1.874 7.386 ( 0.000 0.648 0.000) 0.648 7.546 ( 0.000 8.791 0.000) 8.791 7.672 ( 0.000 1.699 0.000) 1.699 7.706 ( 0.000 5.903 0.000) 5.903 8.048 ( 0.000 -8.184 0.000) 8.184 8.355 ( 0.000 -2.623 0.000) 2.623 8.374 ( 0.000 -0.295 0.000) 0.295 8.588 ( 0.000 5.534 0.000) 5.534 8.662 ( 0.000 5.484 0.000) 5.484 8.881 ( 0.000 7.993 0.000) 7.993 8.968 ( 0.000 7.426 0.000) 7.426 9.150 ( 0.000 -0.067 0.000) 0.067 9.393 ( 0.000 -6.318 0.000) 6.318 9.495 ( 0.000 -10.060 0.000) 10.060 9.499 ( 0.000 -8.357 0.000) 8.357 10.012 ( 0.000 7.427 0.000) 7.427 10.255 ( 0.000 -4.573 0.000) 4.573 10.502 ( 0.000 3.710 0.000) 3.710 10.569 ( 0.000 10.513 0.000) 10.513 10.722 ( 0.000 10.011 0.000) 10.011 10.839 ( 0.000 -4.394 0.000) 4.394 11.202 ( 0.000 -7.725 0.000) 7.725 11.313 ( 0.000 -11.718 0.000) 11.718 12.682 ( 0.000 10.785 0.000) 10.785 12.872 ( 0.000 4.038 0.000) 4.038 12.894 ( 0.000 -1.096 0.000) 1.096 13.199 ( 0.000 -10.240 0.000) 10.240 13.334 ( 0.000 12.734 0.000) 12.734 13.457 ( 0.000 16.122 0.000) 16.122 13.896 ( 0.000 -17.313 0.000) 17.313 14.236 ( 0.000 -19.526 0.000) 19.526 14.529 ( 0.000 1.332 0.000) 1.332 14.716 ( 0.000 -4.592 0.000) 4.592 14.885 ( 0.000 -5.545 0.000) 5.545 14.904 ( 0.000 -3.863 0.000) 3.863 15.292 ( 0.000 6.725 0.000) 6.725 15.474 ( 0.000 -1.563 0.000) 1.563 15.732 ( 0.000 8.003 0.000) 8.003 15.948 ( 0.000 -3.153 0.000) 3.153 16.097 ( 0.000 -0.431 0.000) 0.431 16.102 ( 0.000 1.443 0.000) 1.443 16.317 ( 0.000 14.093 0.000) 14.093 16.660 ( 0.000 1.536 0.000) 1.536 16.782 ( 0.000 3.369 0.000) 3.369 16.809 ( 0.000 -5.131 0.000) 5.131 20.609 ( 0.000 6.739 0.000) 6.739 20.894 ( 0.000 -7.458 0.000) 7.458 21.437 ( 0.000 2.951 0.000) 2.951 21.517 ( 0.000 -1.320 0.000) 1.320 21.878 ( 0.000 0.275 0.000) 0.275 21.913 ( 0.000 -1.269 0.000) 1.269 22.419 ( 0.000 3.131 0.000) 3.131 22.522 ( 0.000 -1.539 0.000) 1.539 22.942 ( 0.000 4.586 0.000) 4.586 23.029 ( 0.000 -0.261 0.000) 0.261 23.816 ( 0.000 2.238 0.000) 2.238 23.888 ( 0.000 -1.950 0.000) 1.950 24.371 ( 0.000 12.608 0.000) 12.608 24.963 ( 0.000 -17.937 0.000) 17.937 26.529 ( 0.000 13.911 0.000) 13.911 26.970 ( 0.000 -9.008 0.000) 9.008 27.240 ( 0.000 1.835 0.000) 1.835 27.400 ( 0.000 -5.791 0.000) 5.791 ======================= Grid point 19 (12/128) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 12.421 19.531 21.290) 31.449 1.164 ( 23.701 13.283 2.889) 27.322 1.528 ( 14.805 -7.884 23.714) 29.046 1.729 ( 10.707 -14.251 1.759) 17.912 2.169 ( -2.956 11.768 4.079) 12.800 2.257 ( -0.199 14.102 -1.344) 14.168 2.446 ( 3.483 -4.138 4.291) 6.904 2.595 ( -1.792 9.340 -0.376) 9.518 2.785 ( 9.742 14.308 -1.343) 17.362 3.133 ( 10.685 1.689 9.391) 14.325 3.266 ( 4.295 -6.296 3.529) 8.399 3.695 ( -9.049 4.322 -0.334) 10.034 3.762 ( -5.188 -5.264 -0.068) 7.391 3.967 ( -13.781 -5.805 -0.274) 14.956 4.317 ( 0.215 5.065 2.536) 5.669 4.488 ( 5.184 -6.202 5.428) 9.736 4.814 ( 0.006 -9.597 2.765) 9.988 4.943 ( 3.284 -11.667 11.901) 16.987 5.004 ( 8.849 -0.664 11.644) 14.640 5.217 ( 4.179 -4.552 6.173) 8.735 5.374 ( 7.599 0.329 6.093) 9.746 5.555 ( 3.001 1.054 1.552) 3.539 5.828 ( 5.853 3.232 4.807) 8.235 6.012 ( -7.147 3.359 3.427) 8.609 6.154 ( 15.829 -9.133 4.729) 18.877 6.264 ( -9.804 -9.882 9.726) 16.981 6.343 ( -5.680 -8.087 5.963) 11.542 6.575 ( 8.124 -1.527 -3.744) 9.074 6.685 ( 8.131 -6.228 -0.302) 10.247 6.797 ( 8.581 -3.254 -4.110) 10.056 7.027 ( 6.994 -1.000 -2.537) 7.507 7.076 ( 0.140 0.211 -2.542) 2.555 7.376 ( -1.514 -1.127 -0.045) 1.888 7.393 ( 1.293 4.242 -3.631) 5.731 7.418 ( -4.723 2.220 -4.744) 7.053 7.664 ( -1.902 0.329 -1.409) 2.390 7.789 ( 3.173 6.291 2.224) 7.389 8.028 ( -2.322 -4.878 5.064) 7.405 8.282 ( -6.676 5.054 -1.737) 8.552 8.299 ( -2.589 -0.174 -2.305) 3.471 8.590 ( -3.546 0.398 -2.978) 4.648 8.674 ( 6.337 2.676 -4.717) 8.341 8.886 ( -1.016 8.096 2.697) 8.594 8.944 ( -2.755 7.471 0.385) 7.972 9.180 ( 2.285 0.942 2.503) 3.517 9.343 ( -6.274 -7.400 3.234) 10.226 9.466 ( -0.054 -6.144 -0.039) 6.145 9.602 ( 6.072 -11.221 2.482) 12.997 10.071 ( 2.128 6.934 7.180) 10.206 10.263 ( -5.943 -1.793 8.110) 10.213 10.443 ( -3.877 0.912 0.928) 4.090 10.524 ( -11.405 0.212 7.774) 13.804 10.697 ( 0.592 15.660 3.228) 16.000 10.930 ( 13.242 -1.250 -12.831) 18.482 11.182 ( 1.313 -5.421 -4.635) 7.252 11.351 ( 0.787 -11.911 3.006) 12.310 12.651 ( -1.620 11.599 -7.966) 14.163 12.781 ( -3.640 5.054 -14.986) 16.229 12.879 ( 0.147 3.771 -1.178) 3.954 13.145 ( -1.249 9.368 -10.728) 14.297 13.214 ( -12.856 6.129 -4.827) 15.037 13.316 ( -17.032 8.996 -7.557) 20.691 13.726 ( -14.448 -4.114 7.227) 16.670 13.928 ( -0.714 -12.801 0.167) 12.822 14.446 ( -2.139 -9.612 -0.548) 9.862 14.513 ( -8.979 -8.835 -8.149) 15.003 15.030 ( 11.017 1.019 -8.513) 13.960 15.127 ( -1.567 3.083 -8.773) 9.430 15.191 ( 7.646 -2.642 -10.513) 13.265 15.335 ( -9.266 -3.376 -14.079) 17.189 15.647 ( -5.335 8.209 1.111) 9.854 15.845 ( -4.918 -1.125 3.666) 6.236 16.193 ( 1.875 7.505 -3.220) 8.379 16.395 ( 11.048 -1.830 14.352) 18.204 16.588 ( 19.349 2.547 21.216) 28.827 16.710 ( 7.765 0.135 -3.365) 8.464 17.123 ( 16.034 2.627 39.247) 42.477 17.444 ( 23.944 -19.811 68.550) 75.265 20.747 ( 14.491 1.077 -0.211) 14.532 20.903 ( 1.987 -5.076 -2.065) 5.829 21.405 ( -2.799 2.109 -1.406) 3.776 21.468 ( -4.660 -1.256 -2.257) 5.328 21.881 ( 0.190 0.179 0.451) 0.521 21.932 ( 3.307 -2.145 -2.010) 4.425 22.418 ( 0.245 2.850 -0.618) 2.926 22.514 ( -0.010 -1.428 -1.683) 2.207 22.965 ( 2.103 4.639 0.713) 5.143 23.050 ( 1.841 -0.197 0.450) 1.906 23.824 ( -0.838 2.155 2.978) 3.770 23.893 ( -0.062 -1.629 1.238) 2.047 24.304 ( -6.976 11.171 -1.472) 13.252 24.801 ( -13.149 -14.111 -9.193) 21.366 26.357 ( -12.890 17.744 -1.654) 21.994 26.874 ( -9.236 -10.591 0.172) 14.054 27.297 ( 6.561 2.953 -3.578) 8.036 27.465 ( 7.412 -5.244 -4.031) 9.934 ======================= Grid point 20 (13/128) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 8.778 26.913 5.455) 28.829 1.614 ( 21.266 4.475 -4.116) 22.119 1.828 ( 12.411 -7.174 -2.964) 14.638 2.091 ( 14.016 -4.692 15.719) 21.576 2.230 ( 2.402 -5.383 7.380) 9.445 2.395 ( -0.011 -8.758 3.223) 9.333 2.488 ( 5.388 3.842 18.395) 19.550 2.644 ( 5.139 -4.731 7.636) 10.349 2.923 ( 5.363 14.756 3.817) 16.158 3.234 ( -4.797 -1.279 -2.134) 5.403 3.380 ( 6.954 3.009 1.302) 7.688 3.562 ( -7.530 1.723 0.375) 7.733 3.717 ( -1.580 -0.509 3.406) 3.789 3.726 ( -10.524 -5.545 5.895) 13.276 4.371 ( 3.216 5.779 3.453) 7.461 4.626 ( 2.266 -9.987 2.198) 10.474 4.713 ( -1.841 -4.032 -6.563) 7.920 4.958 ( -0.206 -12.335 -0.962) 12.374 5.305 ( 1.699 0.318 10.074) 10.221 5.406 ( 6.946 -1.480 13.226) 15.012 5.583 ( 4.644 -1.148 12.272) 13.172 5.654 ( 5.899 -0.218 2.356) 6.356 5.877 ( -8.873 1.873 10.371) 13.777 6.066 ( 6.507 3.585 5.600) 9.304 6.140 ( -1.380 -6.359 4.020) 7.649 6.321 ( -1.624 0.936 3.443) 3.921 6.534 ( 10.437 -3.654 2.597) 11.359 6.689 ( 8.874 -12.499 1.444) 15.397 6.801 ( 2.880 3.395 -1.533) 4.709 6.916 ( 9.622 -5.056 -2.485) 11.150 7.024 ( -0.119 0.533 -1.716) 1.801 7.143 ( -2.648 2.338 -2.022) 4.070 7.206 ( -1.025 -3.998 -0.865) 4.217 7.375 ( -0.614 -3.233 -4.891) 5.895 7.468 ( 7.967 0.525 -2.923) 8.503 7.591 ( 0.422 -4.311 -6.560) 7.861 7.796 ( -1.934 8.876 0.276) 9.089 8.099 ( 2.742 1.324 0.637) 3.111 8.166 ( -1.994 -1.196 1.003) 2.532 8.329 ( 3.095 0.596 3.388) 4.628 8.451 ( -7.088 4.153 -1.000) 8.276 8.754 ( 7.110 -1.758 -2.706) 7.808 8.893 ( -2.409 8.147 2.512) 8.859 8.916 ( -1.235 5.444 5.954) 8.162 9.244 ( -1.793 0.992 6.159) 6.491 9.296 ( -0.989 -4.900 4.204) 6.532 9.460 ( -1.880 -5.211 2.187) 5.956 9.736 ( 6.594 -12.698 2.403) 14.509 10.136 ( -7.000 2.396 7.179) 10.309 10.145 ( -13.300 0.789 4.563) 14.083 10.367 ( -3.602 4.357 4.192) 7.038 10.533 ( -0.144 -4.298 13.313) 13.991 10.757 ( 1.605 14.042 4.024) 14.695 11.003 ( 10.003 -0.562 -14.834) 17.900 11.152 ( -0.685 -2.698 -5.649) 6.298 11.350 ( -1.909 -9.411 -2.039) 9.817 12.364 ( -7.604 25.117 -22.943) 34.858 12.650 ( -1.778 6.292 -6.870) 9.485 12.794 ( -8.093 1.211 -8.410) 11.734 12.866 ( -12.549 -0.202 -5.970) 13.898 12.995 ( -6.502 9.892 0.237) 11.840 13.220 ( -0.565 -4.274 7.171) 8.367 13.687 ( -4.078 -4.246 2.461) 6.381 13.906 ( -1.084 -12.078 -4.571) 12.960 14.374 ( -2.399 -5.996 -2.126) 6.799 14.413 ( -2.091 -6.751 3.064) 7.703 14.895 ( -6.097 4.904 -15.934) 17.752 15.043 ( -1.285 -2.257 -13.899) 14.140 15.124 ( 3.166 1.561 -9.291) 9.939 15.175 ( 0.132 -0.115 -7.603) 7.605 15.709 ( 7.729 4.403 4.211) 9.841 15.853 ( -1.492 -1.018 7.540) 7.754 16.158 ( -0.999 9.077 -3.875) 9.919 16.495 ( -2.550 -8.689 0.332) 9.061 16.960 ( 16.176 9.111 5.916) 19.485 17.090 ( 17.765 0.043 12.410) 21.671 17.906 ( 22.871 7.163 57.726) 62.504 18.428 ( 13.908 -22.440 70.081) 74.889 20.899 ( 0.972 1.007 -5.939) 6.102 21.009 ( 13.845 -4.712 0.966) 14.657 21.312 ( -8.343 -0.606 -7.810) 11.444 21.336 ( -3.245 -0.317 -1.593) 3.629 21.901 ( 2.405 -0.464 -0.417) 2.485 21.981 ( 3.944 -4.159 -0.907) 5.803 22.418 ( 0.875 2.166 -1.190) 2.621 22.495 ( 0.279 -1.118 -2.857) 3.080 23.012 ( 2.385 4.894 0.297) 5.452 23.083 ( 1.524 0.396 -0.095) 1.577 23.831 ( -3.213 2.160 4.772) 6.145 23.899 ( -1.674 -0.784 1.964) 2.697 24.126 ( -10.396 7.548 -3.518) 13.320 24.440 ( -14.398 -9.485 -12.522) 21.309 26.204 ( -5.147 14.372 2.529) 15.474 26.720 ( -8.046 -12.567 -0.190) 14.924 27.358 ( 4.691 4.768 -4.220) 7.908 27.528 ( 4.536 -3.353 -5.037) 7.563 ======================= Grid point 21 (14/128) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 3.761 16.770 -1.907) 17.292 1.833 ( 11.899 0.384 -4.977) 12.904 1.939 ( 2.776 -10.051 -3.246) 10.921 2.208 ( -7.480 -11.835 1.550) 14.086 2.311 ( 1.669 -0.894 -2.912) 3.474 2.426 ( 13.439 -3.296 -2.910) 14.140 2.718 ( 5.701 -0.432 -0.161) 5.719 2.951 ( -1.770 -8.111 17.607) 19.466 3.004 ( 2.495 1.529 8.657) 9.138 3.196 ( 1.058 -3.989 9.957) 10.778 3.464 ( 2.075 0.649 7.918) 8.211 3.490 ( 1.007 -2.288 4.842) 5.449 3.685 ( -1.146 4.846 10.776) 11.871 3.843 ( 3.672 0.679 7.458) 8.341 4.449 ( 1.604 -1.820 -2.866) 3.755 4.496 ( -5.217 -4.488 -11.941) 13.782 4.730 ( 6.820 1.819 -5.349) 8.856 5.013 ( 5.363 -10.857 2.405) 12.346 5.357 ( -4.830 2.140 10.909) 12.121 5.523 ( -4.264 -0.676 6.421) 7.737 5.681 ( -1.810 5.698 3.773) 7.069 5.756 ( 3.306 -0.211 8.358) 8.990 5.958 ( 6.687 -3.552 4.266) 8.691 6.042 ( -3.507 -5.933 1.375) 7.028 6.295 ( 1.005 3.646 2.885) 4.757 6.389 ( 8.986 3.128 3.236) 10.050 6.597 ( 0.156 2.030 -3.597) 4.133 6.708 ( -6.555 3.139 -4.658) 8.632 6.864 ( 3.865 -4.151 3.070) 6.449 6.918 ( -2.049 -1.088 -3.979) 4.606 6.989 ( -5.289 6.662 2.362) 8.828 7.048 ( 2.184 3.026 -3.529) 5.136 7.314 ( 2.544 -4.987 -4.657) 7.282 7.393 ( 8.529 -5.959 2.577) 10.719 7.533 ( 7.058 -0.530 -5.776) 9.136 7.657 ( 8.677 -9.088 -1.770) 12.689 7.758 ( -1.135 11.321 -1.248) 11.446 8.101 ( 1.819 1.453 -4.634) 5.186 8.193 ( -1.275 -4.030 1.837) 4.609 8.240 ( -6.537 -6.198 -1.385) 9.114 8.581 ( 9.873 5.542 10.095) 15.169 8.871 ( 2.209 6.671 5.348) 8.831 8.908 ( 6.568 -6.784 0.409) 9.452 8.987 ( -0.872 1.397 12.201) 12.312 9.229 ( -3.990 2.280 4.718) 6.586 9.383 ( 3.213 1.027 6.715) 7.515 9.461 ( -1.015 -4.303 4.944) 6.633 9.825 ( -0.302 -10.994 0.483) 11.009 9.922 ( -11.108 -0.252 -4.395) 11.949 9.978 ( -12.882 -0.293 1.476) 12.970 10.440 ( 1.990 9.142 7.909) 12.251 10.669 ( -1.049 -3.976 17.065) 17.553 10.818 ( 1.843 6.917 3.130) 7.813 10.985 ( 2.543 2.052 -14.299) 14.668 11.031 ( -3.929 -0.747 -8.432) 9.332 11.263 ( -2.266 -5.834 -7.827) 10.022 12.157 ( -1.005 17.536 -6.884) 18.866 12.518 ( -9.411 1.584 -1.702) 9.694 12.583 ( -5.313 -2.523 -10.419) 11.965 12.618 ( -4.385 1.252 -10.307) 11.271 13.009 ( 1.140 6.484 6.300) 9.112 13.303 ( 0.785 -3.886 9.732) 10.509 13.567 ( -7.188 -4.777 -6.966) 11.091 13.786 ( -3.685 -10.818 -11.776) 16.410 14.361 ( -1.308 0.687 5.773) 5.959 14.459 ( 1.404 -3.209 6.043) 6.985 14.693 ( -1.403 5.548 -12.872) 14.087 14.920 ( 1.154 -5.643 -10.830) 12.266 15.105 ( -1.379 1.718 -3.142) 3.837 15.126 ( 2.422 0.513 -4.989) 5.570 15.901 ( 1.380 1.566 5.385) 5.775 15.907 ( 8.394 0.236 3.711) 9.181 16.102 ( -1.091 8.306 -3.893) 9.237 16.414 ( -4.904 -7.863 -3.036) 9.752 17.251 ( 11.568 8.755 5.101) 15.378 17.398 ( 9.580 0.477 4.925) 10.783 18.851 ( 22.932 6.896 59.545) 64.180 19.196 ( 10.739 -10.873 53.795) 55.924 20.790 ( -4.283 5.479 -12.665) 14.449 21.031 ( -12.096 0.735 -15.658) 19.800 21.196 ( 6.719 -2.483 1.399) 7.299 21.299 ( 0.615 -1.382 -1.351) 2.028 21.954 ( 4.240 -2.107 -0.872) 4.814 22.041 ( 2.771 -5.457 1.327) 6.263 22.424 ( 1.091 1.504 -1.469) 2.369 22.472 ( 0.639 -0.532 -3.591) 3.686 23.032 ( 0.030 5.500 -1.229) 5.636 23.099 ( 0.821 1.541 -0.275) 1.768 23.751 ( -10.121 0.537 0.507) 10.148 23.828 ( -8.267 -2.394 0.422) 8.617 23.979 ( -1.235 3.549 -2.472) 4.498 24.189 ( -4.472 -7.881 -5.905) 10.816 26.206 ( 0.253 8.078 4.995) 9.501 26.615 ( -4.381 -12.609 0.174) 13.350 27.381 ( 2.316 5.676 -3.202) 6.916 27.526 ( 0.958 -1.507 -5.182) 5.481 ======================= Grid point 22 (15/128) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.419 0.024 -3.995) 4.017 1.863 ( -5.118 -15.855 1.829) 16.760 1.974 ( 6.254 -2.418 -1.688) 6.914 2.100 ( -4.622 -4.647 -1.193) 6.662 2.326 ( 2.703 5.015 -2.081) 6.065 2.608 ( 10.851 -6.684 -3.456) 13.204 2.737 ( -1.799 -1.146 -3.684) 4.257 2.885 ( -4.343 -1.996 3.366) 5.846 3.105 ( -1.586 -1.799 4.090) 4.742 3.298 ( 2.047 -13.442 1.388) 13.668 3.559 ( 1.636 3.766 5.303) 6.707 3.729 ( 4.574 0.390 14.926) 15.616 3.827 ( 3.240 0.252 11.582) 12.030 3.957 ( 3.672 -4.672 7.199) 9.335 4.298 ( -6.360 -3.557 -10.158) 12.502 4.314 ( -3.181 -2.697 -12.606) 13.278 4.883 ( 13.531 5.367 -5.924) 15.716 5.073 ( -3.842 -6.280 4.713) 8.742 5.393 ( -1.910 0.139 9.476) 9.667 5.471 ( -4.173 3.084 2.572) 5.791 5.663 ( -0.137 5.796 -3.420) 6.731 5.891 ( 1.704 -2.170 9.847) 10.227 5.989 ( 1.358 -7.911 -6.277) 10.189 6.061 ( 0.661 1.073 1.377) 1.867 6.320 ( 2.257 -0.630 -0.666) 2.436 6.404 ( -8.978 -2.329 -1.619) 9.415 6.570 ( 4.912 9.204 -1.568) 10.550 6.625 ( -1.992 4.515 0.621) 4.974 6.863 ( -0.312 -0.658 -1.903) 2.038 6.915 ( -1.186 3.164 2.002) 3.927 6.984 ( 1.176 14.283 2.307) 14.516 7.057 ( 1.183 3.770 -1.920) 4.393 7.338 ( 3.507 -3.213 -0.510) 4.783 7.423 ( -1.832 4.441 -3.355) 5.860 7.672 ( 10.081 -10.451 -2.845) 14.796 7.733 ( -1.190 -4.540 3.248) 5.708 7.759 ( 1.999 2.591 -2.761) 4.281 8.037 ( -3.447 -1.066 -1.334) 3.847 8.175 ( 1.196 -3.384 -0.048) 3.589 8.206 ( -1.637 -5.658 0.925) 5.962 8.793 ( 6.189 -1.814 1.446) 6.609 8.933 ( 1.972 -5.593 1.440) 6.103 9.043 ( 0.577 -1.239 11.312) 11.394 9.103 ( 3.640 -1.797 -0.142) 4.062 9.244 ( 1.867 5.821 8.859) 10.763 9.446 ( -1.697 4.719 -3.891) 6.347 9.542 ( 2.493 -4.047 8.767) 9.973 9.700 ( -5.222 -2.235 4.579) 7.296 9.727 ( -8.620 0.762 -6.772) 10.988 9.831 ( -3.107 -2.267 -7.458) 8.392 10.533 ( 1.038 8.524 5.917) 10.428 10.774 ( -1.869 -0.352 -0.991) 2.145 10.815 ( -3.468 1.796 11.456) 12.103 10.909 ( 4.044 0.398 -13.822) 14.407 10.958 ( -0.137 -1.104 3.181) 3.370 11.148 ( -2.050 -4.765 -7.643) 9.237 12.146 ( 0.915 10.880 0.730) 10.943 12.398 ( -4.054 -3.510 2.449) 5.895 12.450 ( 0.028 1.132 -7.969) 8.050 12.486 ( -3.066 4.905 -4.935) 7.604 13.129 ( 4.653 1.522 8.680) 9.966 13.352 ( -7.382 -1.405 -10.111) 12.598 13.413 ( 0.710 -7.464 9.897) 12.417 13.618 ( -2.111 -8.858 -11.281) 14.497 14.413 ( -1.686 4.205 9.354) 10.394 14.494 ( 2.167 3.853 -6.961) 8.246 14.639 ( 0.535 0.331 1.384) 1.521 14.860 ( 0.943 -7.000 -6.358) 9.503 15.069 ( -0.770 2.083 -0.298) 2.241 15.124 ( 0.860 -1.068 -1.721) 2.200 15.930 ( -0.367 5.870 2.173) 6.270 16.055 ( 0.783 5.534 -2.144) 5.986 16.104 ( 7.102 -3.330 3.480) 8.582 16.287 ( -6.139 -5.926 -3.458) 9.207 17.428 ( 4.807 7.028 2.404) 8.848 17.518 ( 2.254 2.252 0.735) 3.270 19.665 ( 14.643 1.928 38.369) 41.114 19.752 ( 8.638 -2.656 28.981) 30.358 20.527 ( -7.972 7.164 -20.905) 23.493 20.665 ( -9.447 3.601 -15.033) 18.116 21.265 ( 1.039 0.419 0.758) 1.353 21.319 ( 1.628 -0.266 -0.552) 1.739 22.009 ( 2.292 -3.342 -0.462) 4.079 22.090 ( 1.057 -5.698 1.470) 5.979 22.420 ( -0.073 1.828 -0.999) 2.084 22.460 ( 0.975 -0.259 -1.874) 2.129 23.002 ( -1.152 5.543 -1.090) 5.766 23.109 ( 0.366 2.779 -0.027) 2.803 23.592 ( -5.214 -4.325 -1.413) 6.920 23.713 ( -3.867 -6.849 -0.238) 7.869 23.974 ( 0.484 3.090 -0.216) 3.135 24.131 ( -0.491 -4.738 -0.899) 4.847 26.264 ( 1.006 3.997 2.879) 5.028 26.569 ( -1.358 -11.520 0.023) 11.600 27.390 ( 0.995 5.326 -0.661) 5.458 27.483 ( -0.636 0.224 -3.051) 3.124 ======================= Grid point 27 (16/128) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.000 -17.051 0.000) 17.051 0.973 ( 0.000 17.051 0.000) 17.051 1.334 ( 0.000 -17.294 0.000) 17.294 1.334 ( 0.000 17.294 0.000) 17.294 2.287 ( 0.000 -6.429 0.000) 6.429 2.287 ( 0.000 6.429 0.000) 6.429 2.638 ( 0.000 -11.251 0.000) 11.251 2.638 ( 0.000 11.251 0.000) 11.251 3.009 ( 0.000 -6.080 0.000) 6.080 3.009 ( 0.000 6.080 0.000) 6.080 3.344 ( 0.000 -37.361 0.000) 37.361 3.344 ( 0.000 37.361 0.000) 37.361 3.978 ( 0.000 -8.527 0.000) 8.527 3.978 ( 0.000 8.527 0.000) 8.527 4.380 ( 0.000 -4.671 0.000) 4.671 4.380 ( 0.000 4.671 0.000) 4.671 4.700 ( 0.000 -11.028 0.000) 11.028 4.700 ( 0.000 11.028 0.000) 11.028 4.960 ( 0.000 -6.747 0.000) 6.747 4.960 ( 0.000 6.747 0.000) 6.747 5.421 ( 0.000 -8.765 0.000) 8.765 5.421 ( 0.000 8.765 0.000) 8.765 5.814 ( 0.000 -6.805 0.000) 6.805 5.814 ( 0.000 6.805 0.000) 6.805 6.222 ( 0.000 -5.565 0.000) 5.565 6.222 ( 0.000 5.565 0.000) 5.565 6.336 ( 0.000 -2.170 0.000) 2.170 6.336 ( 0.000 2.170 0.000) 2.170 6.607 ( 0.000 -5.777 0.000) 5.777 6.607 ( 0.000 5.777 0.000) 5.777 7.051 ( 0.000 -3.568 0.000) 3.568 7.051 ( 0.000 3.568 0.000) 3.568 7.383 ( 0.000 -0.167 0.000) 0.167 7.383 ( 0.000 0.167 0.000) 0.167 7.670 ( 0.000 -3.228 0.000) 3.228 7.670 ( 0.000 3.228 0.000) 3.228 7.870 ( 0.000 -10.312 0.000) 10.312 7.870 ( 0.000 10.312 0.000) 10.312 8.345 ( 0.000 -1.405 0.000) 1.405 8.345 ( 0.000 1.405 0.000) 1.405 8.682 ( 0.000 -3.362 0.000) 3.362 8.682 ( 0.000 3.362 0.000) 3.362 9.006 ( 0.000 -3.839 0.000) 3.839 9.006 ( 0.000 3.839 0.000) 3.839 9.244 ( 0.000 -8.742 0.000) 8.742 9.244 ( 0.000 8.742 0.000) 8.742 9.398 ( 0.000 -0.858 0.000) 0.858 9.398 ( 0.000 0.858 0.000) 0.858 10.147 ( 0.000 -6.769 0.000) 6.769 10.147 ( 0.000 6.769 0.000) 6.769 10.588 ( 0.000 -4.946 0.000) 4.946 10.588 ( 0.000 4.946 0.000) 4.946 10.862 ( 0.000 -1.331 0.000) 1.331 10.862 ( 0.000 1.331 0.000) 1.331 11.124 ( 0.000 -4.276 0.000) 4.276 11.124 ( 0.000 4.276 0.000) 4.276 12.843 ( 0.000 -5.131 0.000) 5.131 12.843 ( 0.000 5.131 0.000) 5.131 12.998 ( 0.000 -10.081 0.000) 10.081 12.998 ( 0.000 10.081 0.000) 10.081 13.592 ( 0.000 -15.069 0.000) 15.069 13.592 ( 0.000 15.069 0.000) 15.069 13.823 ( 0.000 -22.231 0.000) 22.231 13.823 ( 0.000 22.231 0.000) 22.231 14.616 ( 0.000 -5.867 0.000) 5.867 14.616 ( 0.000 5.867 0.000) 5.867 14.847 ( 0.000 -1.216 0.000) 1.216 14.847 ( 0.000 1.216 0.000) 1.216 15.407 ( 0.000 -5.244 0.000) 5.244 15.407 ( 0.000 5.244 0.000) 5.244 15.865 ( 0.000 -5.891 0.000) 5.891 15.865 ( 0.000 5.891 0.000) 5.891 16.102 ( 0.000 -0.783 0.000) 0.783 16.102 ( 0.000 0.783 0.000) 0.783 16.560 ( 0.000 -10.982 0.000) 10.982 16.560 ( 0.000 10.982 0.000) 10.982 16.795 ( 0.000 -1.452 0.000) 1.452 16.795 ( 0.000 1.452 0.000) 1.452 20.748 ( 0.000 -7.902 0.000) 7.902 20.748 ( 0.000 7.902 0.000) 7.902 21.485 ( 0.000 -2.143 0.000) 2.143 21.485 ( 0.000 2.143 0.000) 2.143 21.891 ( 0.000 -1.004 0.000) 1.004 21.891 ( 0.000 1.004 0.000) 1.004 22.478 ( 0.000 -3.007 0.000) 3.007 22.478 ( 0.000 3.007 0.000) 3.007 23.009 ( 0.000 -2.299 0.000) 2.299 23.009 ( 0.000 2.299 0.000) 2.299 23.854 ( 0.000 -1.835 0.000) 1.835 23.854 ( 0.000 1.835 0.000) 1.835 24.641 ( 0.000 -16.221 0.000) 16.221 24.641 ( 0.000 16.221 0.000) 16.221 26.772 ( 0.000 -12.058 0.000) 12.058 26.772 ( 0.000 12.058 0.000) 12.058 27.300 ( 0.000 -4.528 0.000) 4.528 27.300 ( 0.000 4.528 0.000) 4.528 ======================= Grid point 29 (17/128) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 14.017 -10.643 24.164) 29.894 1.286 ( 14.017 10.643 24.164) 29.894 1.466 ( 17.371 -10.916 0.511) 20.523 1.466 ( 17.371 10.916 0.511) 20.523 2.298 ( -1.289 -5.497 -0.005) 5.646 2.298 ( -1.289 5.497 -0.005) 5.646 2.515 ( -5.099 -9.746 -1.913) 11.165 2.515 ( -5.099 9.746 -1.913) 11.165 3.154 ( 4.750 -1.549 4.484) 6.713 3.154 ( 4.750 1.549 4.484) 6.713 3.392 ( 5.299 -26.899 3.648) 27.658 3.392 ( 5.299 26.899 3.648) 27.658 3.857 ( -12.664 -7.594 -0.575) 14.778 3.857 ( -12.664 7.594 -0.575) 14.778 4.397 ( 2.197 -4.375 1.973) 5.278 4.397 ( 2.197 4.375 1.973) 5.278 4.772 ( -0.578 -5.269 4.759) 7.123 4.772 ( -0.578 5.269 4.759) 7.123 5.078 ( 9.548 -7.380 11.541) 16.698 5.078 ( 9.548 7.380 11.541) 16.698 5.468 ( 3.180 -7.043 3.845) 8.631 5.468 ( 3.180 7.043 3.845) 8.631 5.970 ( 14.338 -9.256 4.481) 17.645 5.970 ( 14.338 9.256 4.481) 17.645 6.096 ( -15.741 -6.336 11.943) 20.750 6.096 ( -15.741 6.336 11.943) 20.750 6.390 ( 4.704 -10.422 -1.936) 11.597 6.390 ( 4.704 10.422 -1.936) 11.597 6.723 ( 14.201 -4.444 -6.284) 16.153 6.723 ( 14.201 4.444 -6.284) 16.153 7.051 ( 0.528 -2.437 -1.384) 2.852 7.051 ( 0.528 2.437 -1.384) 2.852 7.370 ( -0.246 -0.906 -2.798) 2.952 7.370 ( -0.246 0.906 -2.798) 2.952 7.583 ( -6.298 -8.448 -2.981) 10.951 7.583 ( -6.298 8.448 -2.981) 10.951 7.919 ( 3.070 -6.908 2.316) 7.906 7.919 ( 3.070 6.908 2.316) 7.906 8.316 ( -2.637 -1.365 -1.030) 3.143 8.316 ( -2.637 1.365 -1.030) 3.143 8.644 ( -1.536 -4.524 -3.241) 5.773 8.644 ( -1.536 4.524 -3.241) 5.773 9.001 ( -1.712 -2.777 1.790) 3.722 9.001 ( -1.712 2.777 1.790) 3.722 9.242 ( -2.529 -4.056 4.574) 6.616 9.242 ( -2.529 4.056 4.574) 6.616 9.430 ( 3.238 -4.730 0.694) 5.774 9.430 ( 3.238 4.730 0.694) 5.774 10.190 ( -0.731 -5.551 8.266) 9.983 10.190 ( -0.731 5.551 8.266) 9.983 10.485 ( -10.624 -3.164 3.857) 11.737 10.485 ( -10.624 3.164 3.857) 11.737 10.924 ( 8.114 -4.330 -5.981) 10.970 10.924 ( 8.114 4.330 -5.981) 10.970 11.144 ( 1.606 -5.927 0.346) 6.150 11.144 ( 1.606 5.927 0.346) 6.150 12.791 ( -0.625 -3.110 -9.230) 9.760 12.791 ( -0.625 3.110 -9.230) 9.760 13.011 ( -0.833 -10.133 2.126) 10.387 13.011 ( -0.833 10.133 2.126) 10.387 13.435 ( -18.068 -8.815 -12.872) 23.872 13.435 ( -18.068 8.815 -12.872) 23.872 13.714 ( -3.185 -10.730 2.088) 11.385 13.714 ( -3.185 10.730 2.088) 11.385 14.383 ( -7.007 -3.445 -3.852) 8.707 14.383 ( -7.007 3.445 -3.852) 8.707 15.072 ( 14.228 -3.680 -10.178) 17.876 15.072 ( 14.228 3.680 -10.178) 17.876 15.258 ( -8.560 -4.854 -9.399) 13.608 15.258 ( -8.560 4.854 -9.399) 13.608 15.783 ( -5.220 -5.594 1.897) 7.883 15.783 ( -5.220 5.594 1.897) 7.883 16.311 ( 4.544 -5.610 7.372) 10.318 16.311 ( 4.544 5.610 7.372) 10.318 16.672 ( 14.828 -4.673 10.231) 18.612 16.672 ( 14.828 4.673 10.231) 18.612 17.214 ( 19.428 -7.595 44.131) 48.812 17.214 ( 19.428 7.595 44.131) 48.812 20.809 ( 7.058 -4.733 -0.764) 8.533 20.809 ( 7.058 4.733 -0.764) 8.533 21.441 ( -4.066 -1.694 -1.977) 4.828 21.441 ( -4.066 1.694 -1.977) 4.828 21.898 ( 1.430 -1.451 -1.017) 2.277 21.898 ( 1.430 1.451 -1.017) 2.277 22.472 ( 0.040 -2.812 -1.170) 3.045 22.472 ( 0.040 2.812 -1.170) 3.045 23.031 ( 2.148 -2.194 0.359) 3.091 23.031 ( 2.148 2.194 0.359) 3.091 23.862 ( -0.330 -1.863 2.154) 2.867 23.862 ( -0.330 1.863 2.154) 2.867 24.536 ( -9.777 -13.692 -4.191) 17.338 24.536 ( -9.777 13.692 -4.191) 17.338 26.647 ( -11.528 -13.750 -0.131) 17.943 26.647 ( -11.528 13.750 -0.131) 17.943 27.368 ( 8.025 -4.743 -4.016) 10.150 27.368 ( 8.025 4.743 -4.016) 10.150 ======================= Grid point 31 (18/128) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 16.278 -6.880 -1.326) 17.721 1.623 ( 16.278 6.880 -1.326) 17.721 1.869 ( 10.079 -15.468 9.234) 20.642 1.869 ( 10.079 15.468 9.234) 20.642 2.240 ( -2.596 -6.250 8.017) 10.492 2.240 ( -2.596 6.250 8.017) 10.492 2.551 ( 5.381 -4.093 7.119) 9.818 2.551 ( 5.381 4.093 7.119) 9.818 3.164 ( -4.083 -7.980 1.197) 9.043 3.164 ( -4.083 7.980 1.197) 9.043 3.503 ( -1.405 -8.637 -2.277) 9.042 3.503 ( -1.405 8.637 -2.277) 9.042 3.681 ( -3.263 -1.923 7.533) 8.431 3.681 ( -3.263 1.923 7.533) 8.431 4.470 ( 2.826 -6.219 1.084) 6.916 4.470 ( 2.826 6.219 1.084) 6.916 4.760 ( 0.165 -8.089 -1.177) 8.176 4.760 ( 0.165 8.089 -1.177) 8.176 5.361 ( 6.575 -5.110 10.522) 13.418 5.361 ( 6.575 5.110 10.522) 13.418 5.593 ( 3.221 -2.286 12.978) 13.566 5.593 ( 3.221 2.286 12.978) 13.566 5.958 ( -9.684 -7.084 7.661) 14.236 5.958 ( -9.684 7.084 7.661) 14.236 6.273 ( 10.068 -10.266 5.095) 15.255 6.273 ( 10.068 10.266 5.095) 15.255 6.503 ( 11.526 -5.842 1.385) 12.996 6.503 ( 11.526 5.842 1.385) 12.996 6.859 ( 6.681 -1.941 -8.753) 11.181 6.859 ( 6.681 1.941 -8.753) 11.181 7.068 ( 4.333 -4.668 0.094) 6.369 7.068 ( 4.333 4.668 0.094) 6.369 7.286 ( -7.087 -6.213 -1.914) 9.617 7.286 ( -7.087 6.213 -1.914) 9.617 7.505 ( 3.335 -3.883 -5.637) 7.614 7.505 ( 3.335 3.883 -5.637) 7.614 7.986 ( 2.429 -9.819 1.286) 10.197 7.986 ( 2.429 9.819 1.286) 10.197 8.246 ( -3.494 -6.441 -2.864) 7.867 8.246 ( -3.494 6.441 -2.864) 7.867 8.624 ( 1.151 -10.436 2.233) 10.734 8.624 ( 1.151 10.436 2.233) 10.734 8.982 ( -3.667 -0.209 4.477) 5.790 8.982 ( -3.667 0.209 4.477) 5.790 9.252 ( -2.341 -2.144 7.197) 7.866 9.252 ( -2.341 2.144 7.197) 7.866 9.509 ( 4.546 -10.321 1.496) 11.377 9.509 ( 4.546 10.321 1.496) 11.377 10.154 ( -12.405 -0.440 4.796) 13.307 10.154 ( -12.405 0.440 4.796) 13.307 10.447 ( 0.153 -4.590 10.067) 11.065 10.447 ( 0.153 4.590 10.067) 11.065 10.979 ( 5.077 -5.982 -7.561) 10.896 10.979 ( 5.077 5.982 -7.561) 10.896 11.159 ( -0.096 -7.126 -1.295) 7.243 11.159 ( -0.096 7.126 -1.295) 7.243 12.671 ( -0.719 -6.374 -15.247) 16.541 12.671 ( -0.719 6.374 -15.247) 16.541 12.824 ( -19.164 -3.040 -7.454) 20.786 12.824 ( -19.164 3.040 -7.454) 20.786 13.151 ( -1.981 -5.120 1.152) 5.610 13.151 ( -1.981 5.120 1.152) 5.610 13.700 ( -1.624 -8.041 -2.174) 8.486 13.700 ( -1.624 8.041 -2.174) 8.486 14.331 ( -0.623 -1.683 3.709) 4.120 14.331 ( -0.623 1.683 3.709) 4.120 14.982 ( -4.646 -4.122 -15.881) 17.052 14.982 ( -4.646 4.122 -15.881) 17.052 15.154 ( 3.644 -1.708 -8.454) 9.363 15.154 ( 3.644 1.708 -8.454) 9.363 15.800 ( 1.967 -4.445 5.957) 7.689 15.800 ( 1.967 4.445 5.957) 7.689 16.328 ( -2.256 -9.058 -0.767) 9.366 16.328 ( -2.256 9.058 -0.767) 9.366 17.074 ( 17.050 -2.903 9.089) 19.538 17.074 ( 17.050 2.903 9.089) 19.538 18.092 ( 22.145 -13.577 62.995) 68.141 18.092 ( 22.145 13.577 62.995) 68.141 20.935 ( 7.803 -2.978 -2.302) 8.663 20.935 ( 7.803 2.978 -2.302) 8.663 21.322 ( -5.732 -1.028 -4.334) 7.259 21.322 ( -5.732 1.028 -4.334) 7.259 21.922 ( 2.631 -2.308 -1.243) 3.714 21.922 ( 2.631 2.308 -1.243) 3.714 22.462 ( 0.569 -2.263 -2.194) 3.203 22.462 ( 0.569 2.263 -2.194) 3.203 23.074 ( 2.477 -1.751 -0.187) 3.039 23.074 ( 2.477 1.751 -0.187) 3.039 23.872 ( -2.351 -2.015 3.464) 4.646 23.872 ( -2.351 2.015 3.464) 4.646 24.271 ( -13.580 -8.363 -7.115) 17.463 24.271 ( -13.580 8.363 -7.115) 17.463 26.471 ( -8.341 -14.035 0.710) 16.342 26.471 ( -8.341 14.035 0.710) 16.342 27.448 ( 5.736 -4.801 -4.856) 8.918 27.448 ( 5.736 4.801 -4.856) 8.918 ======================= Grid point 33 (19/128) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -5.486 -14.120 -6.182) 16.361 1.722 ( -5.486 14.120 -6.182) 16.361 1.935 ( 4.559 -12.541 2.456) 13.568 1.935 ( 4.559 12.541 2.456) 13.568 2.358 ( 7.963 -4.056 -2.578) 9.301 2.358 ( 7.963 4.056 -2.578) 9.301 2.775 ( 5.220 -7.160 10.212) 13.520 2.775 ( 5.220 7.160 10.212) 13.520 3.095 ( -3.911 -5.924 2.310) 7.465 3.095 ( -3.911 5.924 2.310) 7.465 3.468 ( -0.230 -0.616 11.468) 11.487 3.468 ( -0.230 0.616 11.468) 11.487 3.790 ( 2.524 -5.401 7.128) 9.292 3.790 ( 2.524 5.401 7.128) 9.292 4.437 ( -2.447 -1.350 -9.008) 9.432 4.437 ( -2.447 1.350 -9.008) 9.432 4.834 ( 8.545 -8.116 0.208) 11.787 4.834 ( 8.545 8.116 0.208) 11.787 5.446 ( -5.844 -6.493 11.939) 14.793 5.446 ( -5.844 6.493 11.939) 14.793 5.775 ( 4.083 -0.676 5.788) 7.115 5.775 ( 4.083 0.676 5.788) 7.115 5.919 ( -0.927 -4.769 4.796) 6.827 5.919 ( -0.927 4.769 4.796) 6.827 6.378 ( 0.666 -3.881 1.372) 4.170 6.378 ( 0.666 3.881 1.372) 4.170 6.707 ( 6.757 -7.912 -3.241) 10.897 6.707 ( 6.757 7.912 -3.241) 10.897 6.819 ( 0.908 -5.352 -3.026) 6.215 6.819 ( 0.908 5.352 -3.026) 6.215 7.140 ( -0.312 -2.918 0.876) 3.062 7.140 ( -0.312 2.918 0.876) 3.062 7.234 ( 6.401 -7.260 -0.835) 9.715 7.234 ( 6.401 7.260 -0.835) 9.715 7.554 ( 6.809 -2.786 -4.997) 8.893 7.554 ( 6.809 2.786 -4.997) 8.893 8.000 ( -1.088 -12.705 -2.186) 12.937 8.000 ( -1.088 12.705 -2.186) 12.937 8.163 ( -2.555 -2.991 -1.646) 4.264 8.163 ( -2.555 2.991 -1.646) 4.264 8.729 ( 5.307 -9.834 5.589) 12.494 8.729 ( 5.307 9.834 5.589) 12.494 8.976 ( -3.588 -3.163 9.626) 10.749 8.976 ( -3.588 3.163 9.626) 10.749 9.300 ( -0.642 -5.349 8.880) 10.386 9.300 ( -0.642 5.349 8.880) 10.386 9.595 ( 3.836 -12.409 0.022) 12.988 9.595 ( 3.836 12.409 0.022) 12.988 9.947 ( -11.926 -2.201 -1.446) 12.214 9.947 ( -11.926 2.201 -1.446) 12.214 10.578 ( 0.881 -5.844 13.403) 14.648 10.578 ( 0.881 5.844 13.403) 14.648 10.950 ( 0.462 -5.410 -8.480) 10.069 10.950 ( 0.462 5.410 -8.480) 10.069 11.108 ( -2.394 -8.424 -4.624) 9.904 11.108 ( -2.394 8.424 -4.624) 9.904 12.435 ( -9.649 -10.450 -7.330) 16.000 12.435 ( -9.649 10.450 -7.330) 16.000 12.592 ( -1.544 -2.729 -9.814) 10.303 12.592 ( -1.544 2.729 -9.814) 10.303 13.175 ( -0.958 -9.592 5.847) 11.274 13.175 ( -0.958 9.592 5.847) 11.274 13.595 ( -3.984 -7.935 -8.700) 12.431 13.595 ( -3.984 7.935 -8.700) 12.431 14.399 ( 1.026 -2.951 8.620) 9.169 14.399 ( 1.026 2.951 8.620) 9.169 14.807 ( -0.303 -6.276 -12.896) 14.345 14.807 ( -0.303 6.276 -12.896) 14.345 15.126 ( 0.673 -0.555 -4.798) 4.877 15.126 ( 0.673 0.555 -4.798) 4.877 15.912 ( 4.627 -0.475 4.718) 6.625 15.912 ( 4.627 0.475 4.718) 6.625 16.261 ( -3.365 -8.441 -2.774) 9.501 16.261 ( -3.365 8.441 -2.774) 9.501 17.371 ( 10.599 -3.803 4.841) 12.257 17.371 ( 10.599 3.803 4.841) 12.257 19.004 ( 19.018 -9.435 57.240) 61.050 19.004 ( 19.018 9.435 57.240) 61.050 20.921 ( -4.766 -8.193 -11.384) 14.813 20.921 ( -4.766 8.193 -11.384) 14.813 21.248 ( 2.111 -4.107 -1.504) 4.856 21.248 ( 2.111 4.107 -1.504) 4.856 21.963 ( 3.068 -2.712 -0.431) 4.118 21.963 ( 3.068 2.712 -0.431) 4.118 22.453 ( 1.118 -1.433 -2.863) 3.391 22.453 ( 1.118 1.433 -2.863) 3.391 23.101 ( 1.211 -1.760 -1.040) 2.376 23.101 ( 1.211 1.760 -1.040) 2.376 23.777 ( -11.491 -2.391 -0.705) 11.758 23.777 ( -11.491 2.391 -0.705) 11.758 24.064 ( -3.038 -5.545 -2.863) 6.941 24.064 ( -3.038 5.545 -2.863) 6.941 26.390 ( -3.108 -11.284 2.049) 11.883 26.390 ( -3.108 11.284 2.049) 11.883 27.472 ( 2.296 -4.055 -4.263) 6.316 27.472 ( 2.296 4.055 -4.263) 6.316 ======================= Grid point 35 (20/128) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -6.812 -15.418 -2.422) 17.029 1.535 ( -6.812 15.418 -2.422) 17.029 2.011 ( 1.818 -4.289 0.183) 4.662 2.011 ( 1.818 4.289 0.183) 4.662 2.466 ( 6.914 -8.558 -2.941) 11.388 2.466 ( 6.914 8.558 -2.941) 11.388 2.797 ( -3.869 -6.609 0.915) 7.713 2.797 ( -3.869 6.609 0.915) 7.713 3.111 ( 1.396 -4.076 1.138) 4.456 3.111 ( 1.396 4.076 1.138) 4.456 3.664 ( 3.756 -6.064 13.860) 15.588 3.664 ( 3.756 6.064 13.860) 15.588 3.861 ( 0.196 -3.935 3.627) 5.355 3.861 ( 0.196 3.935 3.627) 5.355 4.285 ( -2.796 -1.039 -9.738) 10.185 4.285 ( -2.796 1.039 -9.738) 10.185 4.969 ( 5.790 -4.606 -1.143) 7.487 4.969 ( 5.790 4.606 -1.143) 7.487 5.451 ( -3.995 -4.210 8.451) 10.252 5.451 ( -3.995 4.210 8.451) 10.252 5.802 ( -0.182 -7.845 -1.552) 7.999 5.802 ( -0.182 7.845 -1.552) 7.999 5.984 ( 1.566 -6.565 2.719) 7.276 5.984 ( 1.566 6.565 2.719) 7.276 6.347 ( -2.390 -2.969 -0.945) 3.927 6.347 ( -2.390 2.969 -0.945) 3.927 6.690 ( 0.396 -0.680 -3.566) 3.652 6.690 ( 0.396 0.680 -3.566) 3.652 6.868 ( 1.578 -4.556 1.619) 5.086 6.868 ( 1.578 4.556 1.619) 5.086 7.163 ( 1.578 -6.121 0.577) 6.348 7.163 ( 1.578 6.121 0.577) 6.348 7.339 ( 4.214 -13.744 -0.503) 14.384 7.339 ( 4.214 13.744 -0.503) 14.384 7.609 ( 2.801 -5.869 -1.780) 6.743 7.609 ( 2.801 5.869 -1.780) 6.743 7.937 ( -1.491 -9.159 -2.889) 9.719 7.937 ( -1.491 9.159 -2.889) 9.719 8.139 ( -0.834 -0.457 1.049) 1.416 8.139 ( -0.834 0.457 1.049) 1.416 8.817 ( 1.104 -4.524 0.892) 4.741 8.817 ( 1.104 4.524 0.892) 4.741 9.064 ( 2.001 -2.366 8.042) 8.618 9.064 ( 2.001 2.366 8.042) 8.618 9.393 ( 1.393 -9.129 10.188) 13.750 9.393 ( 1.393 9.129 10.188) 13.750 9.567 ( -3.670 -7.460 -8.076) 11.591 9.567 ( -3.670 7.460 -8.076) 11.591 9.803 ( -2.323 -3.698 -0.777) 4.436 9.803 ( -2.323 3.698 -0.777) 4.436 10.685 ( -0.714 -7.068 7.871) 10.603 10.685 ( -0.714 7.068 7.871) 10.603 10.881 ( 0.054 -3.397 -4.388) 5.550 10.881 ( 0.054 3.397 -4.388) 5.550 11.022 ( -1.696 -7.333 -4.368) 8.702 11.022 ( -1.696 7.333 -4.368) 8.702 12.304 ( -2.733 -6.100 -0.325) 6.693 12.304 ( -2.733 6.100 -0.325) 6.693 12.508 ( 0.066 -2.778 -5.391) 6.065 12.508 ( 0.066 2.778 -5.391) 6.065 13.211 ( -0.847 -7.494 4.789) 8.934 13.211 ( -0.847 7.494 4.789) 8.934 13.460 ( -1.927 -7.173 -6.587) 9.927 13.460 ( -1.927 7.173 -6.587) 9.927 14.487 ( 0.356 -3.250 5.980) 6.816 14.487 ( 0.356 3.250 5.980) 6.816 14.724 ( 0.919 -7.156 -6.705) 9.849 14.724 ( 0.919 7.156 -6.705) 9.849 15.101 ( -0.037 -1.413 -1.389) 1.982 15.101 ( -0.037 1.413 -1.389) 1.982 16.022 ( 3.551 -4.121 2.906) 6.168 16.022 ( 3.551 4.121 2.906) 6.168 16.177 ( -3.014 -5.937 -2.596) 7.146 16.177 ( -3.014 5.937 -2.596) 7.146 17.519 ( 3.562 -2.406 1.516) 4.558 17.519 ( 3.562 2.406 1.516) 4.558 19.706 ( 11.610 -2.375 32.291) 34.397 19.706 ( 11.610 2.375 32.291) 34.397 20.648 ( -7.959 -4.844 -15.631) 18.197 20.648 ( -7.959 4.844 -15.631) 18.197 21.295 ( 2.064 -2.100 0.112) 2.947 21.295 ( 2.064 2.100 0.112) 2.947 22.005 ( 1.536 -2.735 0.226) 3.145 22.005 ( 1.536 2.735 0.226) 3.145 22.448 ( 0.743 -1.093 -1.642) 2.108 22.448 ( 0.743 1.093 -1.642) 2.108 23.098 ( -0.091 -3.930 -0.803) 4.013 23.098 ( -0.091 3.930 -0.803) 4.013 23.593 ( -5.978 -4.632 -1.351) 7.683 23.593 ( -5.978 4.632 -1.351) 7.683 24.044 ( 0.142 -4.341 -0.011) 4.343 24.044 ( 0.142 4.341 -0.011) 4.343 26.382 ( -0.466 -8.443 1.261) 8.549 26.382 ( -0.466 8.443 1.261) 8.549 27.462 ( 0.383 -2.484 -1.862) 3.128 27.462 ( 0.383 2.484 -1.862) 3.128 ======================= Grid point 63 (21/128) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -12.578 0.000 28.061) 30.751 0.836 ( -22.081 0.000 37.245) 43.299 1.347 ( 10.518 0.000 61.461) 62.354 1.841 ( 11.265 0.000 22.424) 25.095 1.989 ( 0.830 0.000 0.552) 0.997 2.131 ( 1.550 0.000 22.528) 22.582 2.323 ( -0.862 0.000 0.268) 0.902 2.560 ( 3.256 0.000 1.212) 3.474 2.737 ( -4.779 0.000 2.401) 5.348 3.120 ( 8.506 0.000 -3.452) 9.180 3.517 ( -2.300 0.000 -0.566) 2.368 3.672 ( 6.810 0.000 -1.710) 7.021 3.710 ( -3.254 0.000 3.943) 5.112 4.131 ( 2.913 0.000 -11.386) 11.753 4.286 ( -3.650 0.000 7.127) 8.007 4.861 ( 3.906 0.000 5.503) 6.749 5.001 ( 0.925 0.000 0.592) 1.098 5.079 ( -1.980 0.000 -12.733) 12.886 5.195 ( -0.528 0.000 8.033) 8.050 5.407 ( -0.739 0.000 1.046) 1.281 5.564 ( 55.548 0.000 12.646) 56.969 5.724 ( -4.172 0.000 8.437) 9.412 5.758 ( 6.940 0.000 -10.296) 12.416 6.009 ( -2.539 0.000 3.004) 3.933 6.196 ( 16.663 0.000 2.847) 16.904 6.315 ( 0.514 0.000 4.951) 4.977 6.691 ( 14.606 0.000 -10.724) 18.120 6.757 ( -8.631 0.000 -1.250) 8.721 6.858 ( -3.314 0.000 -5.081) 6.066 6.977 ( 29.247 0.000 -5.997) 29.856 7.005 ( -3.282 0.000 0.923) 3.409 7.077 ( 6.975 0.000 7.921) 10.554 7.236 ( 1.452 0.000 -0.751) 1.634 7.369 ( -1.398 0.000 0.434) 1.464 7.627 ( -11.146 0.000 3.646) 11.727 7.670 ( 5.909 0.000 5.466) 8.049 7.797 ( -3.659 0.000 6.904) 7.814 7.806 ( 0.473 0.000 2.300) 2.348 8.226 ( -6.156 0.000 -10.800) 12.432 8.281 ( 9.530 0.000 -7.246) 11.972 8.448 ( 5.690 0.000 -0.075) 5.690 8.517 ( -8.935 0.000 1.195) 9.015 8.815 ( -1.659 0.000 8.008) 8.178 8.819 ( -8.658 0.000 1.048) 8.721 9.496 ( 15.054 0.000 -0.858) 15.078 9.564 ( -1.940 0.000 5.294) 5.639 9.713 ( -2.169 0.000 -3.307) 3.955 9.904 ( -4.333 0.000 -0.044) 4.333 10.159 ( -17.082 0.000 -11.197) 20.424 10.307 ( -3.383 0.000 16.599) 16.941 10.378 ( -20.685 0.000 -0.425) 20.690 10.438 ( 3.343 0.000 -2.894) 4.422 10.507 ( -32.077 0.000 6.361) 32.701 10.830 ( 0.581 0.000 -7.378) 7.401 11.152 ( -14.531 0.000 8.682) 16.927 11.389 ( -3.566 0.000 -5.993) 6.974 11.747 ( 3.896 0.000 6.424) 7.513 12.452 ( -0.742 0.000 1.815) 1.961 12.760 ( -0.955 0.000 -7.702) 7.761 12.864 ( -1.954 0.000 1.250) 2.319 13.024 ( -0.406 0.000 -2.401) 2.435 13.531 ( 4.008 0.000 5.441) 6.757 13.933 ( -3.564 0.000 6.475) 7.391 14.293 ( 5.902 0.000 -7.295) 9.383 14.494 ( -4.759 0.000 -21.084) 21.615 14.791 ( 4.637 0.000 -3.777) 5.981 14.939 ( 0.309 0.000 -4.153) 4.164 14.943 ( -1.705 0.000 -6.035) 6.271 15.186 ( -14.484 0.000 -12.937) 19.420 15.224 ( 3.577 0.000 -4.891) 6.060 15.645 ( -5.885 0.000 -2.218) 6.289 15.878 ( 2.232 0.000 -3.444) 4.104 15.951 ( 6.589 0.000 5.390) 8.513 16.039 ( -6.732 0.000 9.497) 11.641 16.493 ( 20.088 0.000 13.365) 24.127 16.749 ( 0.479 0.000 6.587) 6.605 17.241 ( 15.976 0.000 38.521) 41.703 20.124 ( 148.461 0.000 6.361) 148.597 20.755 ( -28.358 0.000 -1.493) 28.397 21.045 ( -5.772 0.000 -1.304) 5.918 21.168 ( 0.083 0.000 -5.312) 5.313 21.396 ( 0.767 0.000 1.308) 1.517 21.519 ( -4.010 0.000 -1.665) 4.342 21.966 ( -4.832 0.000 2.279) 5.342 22.359 ( 2.948 0.000 -11.069) 11.455 22.519 ( -1.548 0.000 4.958) 5.194 22.741 ( -3.521 0.000 2.612) 4.384 22.992 ( 2.610 0.000 -3.267) 4.181 23.852 ( 1.330 0.000 2.438) 2.778 23.982 ( -2.571 0.000 0.789) 2.690 24.030 ( 7.721 0.000 -1.131) 7.803 25.232 ( -18.060 0.000 -15.302) 23.671 26.069 ( -38.202 0.000 15.871) 41.368 27.097 ( 1.120 0.000 -4.003) 4.157 27.252 ( -3.786 0.000 1.887) 4.230 27.501 ( 1.106 0.000 -3.481) 3.652 ======================= Grid point 64 (22/128) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 8.495 0.000 23.393) 24.887 0.854 ( -3.380 0.000 28.514) 28.714 1.979 ( -2.373 0.000 6.207) 6.646 2.050 ( 8.409 0.000 17.822) 19.706 2.160 ( 15.494 0.000 26.331) 30.551 2.354 ( 11.198 0.000 -2.185) 11.409 2.646 ( 1.113 0.000 11.191) 11.246 2.677 ( 8.176 0.000 5.405) 9.802 2.752 ( 12.041 0.000 23.013) 25.973 3.200 ( 8.327 0.000 -4.474) 9.453 3.470 ( -3.373 0.000 5.541) 6.487 3.622 ( -9.186 0.000 2.746) 9.588 3.779 ( 3.848 0.000 5.303) 6.552 3.974 ( -8.759 0.000 -8.732) 12.368 4.292 ( -3.590 0.000 8.506) 9.233 4.869 ( -5.224 0.000 -15.786) 16.628 5.036 ( 7.666 0.000 7.737) 10.892 5.072 ( 3.616 0.000 2.920) 4.647 5.309 ( 5.816 0.000 6.125) 8.446 5.386 ( 2.244 0.000 -1.579) 2.744 5.675 ( -6.565 0.000 -10.738) 12.585 5.731 ( -3.245 0.000 8.074) 8.702 5.872 ( -6.049 0.000 -7.909) 9.957 6.036 ( 10.205 0.000 9.203) 13.742 6.432 ( 0.514 0.000 4.127) 4.159 6.437 ( 3.455 0.000 8.440) 9.120 6.660 ( -0.016 0.000 -2.644) 2.644 6.771 ( 5.609 0.000 -8.990) 10.596 6.797 ( 1.380 0.000 -5.680) 5.845 6.935 ( -4.762 0.000 0.385) 4.777 7.137 ( -2.503 0.000 -0.579) 2.569 7.227 ( -2.373 0.000 -0.747) 2.488 7.324 ( -3.542 0.000 -2.796) 4.512 7.496 ( 14.682 0.000 -5.283) 15.603 7.579 ( 23.768 0.000 -18.228) 29.953 7.754 ( -6.975 0.000 3.173) 7.663 7.784 ( -4.136 0.000 6.813) 7.970 7.924 ( 10.850 0.000 5.216) 12.039 7.991 ( -7.395 0.000 -9.591) 12.111 8.386 ( 8.910 0.000 -5.635) 10.542 8.450 ( 0.475 0.000 4.551) 4.576 8.501 ( -7.956 0.000 8.878) 11.921 8.654 ( -9.301 0.000 -1.631) 9.443 8.787 ( -6.384 0.000 10.392) 12.197 9.323 ( -15.913 0.000 22.446) 27.514 9.654 ( -3.704 0.000 2.499) 4.468 9.778 ( 16.699 0.000 1.772) 16.793 9.804 ( -7.362 0.000 1.847) 7.590 9.950 ( 5.708 0.000 1.675) 5.948 10.302 ( -6.634 0.000 -2.102) 6.959 10.362 ( 5.957 0.000 -8.240) 10.168 10.529 ( 2.338 0.000 14.830) 15.014 10.651 ( 6.775 0.000 9.831) 11.940 10.807 ( 4.711 0.000 -10.599) 11.599 11.014 ( -9.519 0.000 7.640) 12.206 11.248 ( -7.174 0.000 -3.560) 8.009 11.850 ( 1.807 0.000 5.431) 5.724 12.452 ( -1.922 0.000 2.635) 3.262 12.639 ( -2.100 0.000 -12.533) 12.708 12.842 ( -2.715 0.000 0.585) 2.777 12.972 ( -3.182 0.000 0.675) 3.253 13.618 ( -1.674 0.000 10.911) 11.038 13.889 ( -6.558 0.000 4.635) 8.030 14.204 ( -5.937 0.000 -21.783) 22.578 14.292 ( 2.640 0.000 -8.964) 9.344 14.701 ( -10.789 0.000 -20.209) 22.908 14.832 ( 7.211 0.000 -7.879) 10.681 14.924 ( -8.104 0.000 -2.035) 8.356 14.937 ( 1.287 0.000 -0.063) 1.289 15.287 ( -15.656 0.000 -2.910) 15.924 15.350 ( 15.323 0.000 -4.271) 15.908 15.868 ( 1.988 0.000 -4.799) 5.195 16.005 ( -7.144 0.000 7.391) 10.280 16.396 ( 22.394 0.000 8.492) 23.950 16.731 ( -3.082 0.000 -1.137) 3.285 16.919 ( 17.983 0.000 7.399) 19.446 18.071 ( 24.309 0.000 59.623) 64.388 20.225 ( -28.622 0.000 22.516) 36.417 20.892 ( -6.587 0.000 -7.828) 10.230 21.064 ( -4.881 0.000 -10.994) 12.028 21.394 ( -4.367 0.000 2.497) 5.030 21.439 ( -0.504 0.000 -4.689) 4.716 21.697 ( 57.053 0.000 -29.344) 64.156 21.920 ( -1.549 0.000 0.835) 1.760 22.318 ( 2.887 0.000 -8.289) 8.778 22.528 ( -2.957 0.000 5.180) 5.965 22.725 ( -2.849 0.000 5.674) 6.349 23.015 ( 3.094 0.000 -2.807) 4.177 23.883 ( 0.459 0.000 -0.511) 0.687 23.956 ( -2.806 0.000 4.930) 5.672 24.068 ( -3.381 0.000 1.817) 3.839 24.704 ( -22.134 0.000 -4.982) 22.688 25.984 ( -4.109 0.000 24.328) 24.673 27.072 ( -0.070 0.000 -2.433) 2.434 27.186 ( -4.199 0.000 -1.697) 4.529 27.487 ( 1.373 0.000 -4.669) 4.867 ======================= Grid point 65 (23/128) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 15.891 0.000 14.072) 21.226 1.224 ( 20.898 0.000 13.606) 24.937 2.010 ( 2.573 0.000 2.217) 3.397 2.274 ( 12.072 0.000 2.380) 12.304 2.383 ( -2.912 0.000 -7.212) 7.777 2.442 ( -0.500 0.000 3.839) 3.871 2.714 ( 4.302 0.000 2.726) 5.093 2.990 ( 13.059 0.000 12.011) 17.743 3.071 ( 2.542 0.000 5.981) 6.499 3.373 ( 13.021 0.000 5.644) 14.192 3.488 ( -5.286 0.000 0.040) 5.286 3.699 ( 8.058 0.000 33.036) 34.004 3.729 ( -11.865 0.000 -0.686) 11.885 3.912 ( 2.030 0.000 9.075) 9.300 4.347 ( 1.688 0.000 8.255) 8.426 4.584 ( -10.037 0.000 -17.682) 20.332 5.058 ( -9.626 0.000 -4.812) 10.762 5.237 ( 6.588 0.000 7.881) 10.272 5.450 ( 2.267 0.000 -0.402) 2.302 5.479 ( 9.444 0.000 -0.731) 9.472 5.490 ( 3.288 0.000 -2.997) 4.449 5.710 ( -4.514 0.000 -7.834) 9.041 5.749 ( -2.298 0.000 5.749) 6.192 6.248 ( 4.160 0.000 5.696) 7.053 6.404 ( -6.026 0.000 7.625) 9.719 6.513 ( -2.855 0.000 4.692) 5.493 6.666 ( -0.976 0.000 4.479) 4.584 6.737 ( -0.247 0.000 -7.082) 7.086 6.832 ( 13.194 0.000 -13.344) 18.766 6.854 ( -4.733 0.000 -0.789) 4.798 7.025 ( -8.841 0.000 -0.603) 8.862 7.135 ( -7.872 0.000 -0.120) 7.873 7.179 ( -9.141 0.000 -4.294) 10.099 7.440 ( -11.822 0.000 0.636) 11.839 7.662 ( 1.430 0.000 -3.118) 3.430 7.762 ( 0.020 0.000 -0.125) 0.126 7.900 ( 1.869 0.000 3.328) 3.816 7.920 ( 22.958 0.000 -12.844) 26.306 8.108 ( 8.720 0.000 -3.578) 9.425 8.445 ( -5.011 0.000 8.394) 9.776 8.468 ( -4.550 0.000 -4.991) 6.754 8.507 ( 4.219 0.000 9.966) 10.822 8.629 ( 11.274 0.000 1.361) 11.356 8.895 ( 8.331 0.000 3.700) 9.115 9.330 ( -6.231 0.000 7.812) 9.992 9.630 ( -4.191 0.000 6.172) 7.461 9.750 ( -2.294 0.000 5.824) 6.259 9.983 ( -1.188 0.000 -6.754) 6.858 10.058 ( 10.553 0.000 2.629) 10.875 10.113 ( -8.666 0.000 -5.587) 10.311 10.360 ( -1.302 0.000 1.522) 2.003 10.669 ( -0.029 0.000 -4.295) 4.295 10.771 ( 0.643 0.000 -0.977) 1.170 10.776 ( 2.143 0.000 4.072) 4.601 11.029 ( 0.406 0.000 13.941) 13.947 11.128 ( -4.512 0.000 0.470) 4.536 11.911 ( -0.297 0.000 5.824) 5.832 12.424 ( -4.420 0.000 2.505) 5.080 12.477 ( -2.334 0.000 -13.793) 13.989 12.736 ( -6.658 0.000 -4.028) 7.782 13.007 ( 1.142 0.000 10.725) 10.785 13.697 ( -0.785 0.000 9.199) 9.232 13.755 ( -10.730 0.000 -4.130) 11.498 13.916 ( -6.299 0.000 -15.164) 16.420 14.203 ( -0.371 0.000 -15.355) 15.359 14.425 ( -2.877 0.000 -7.123) 7.682 14.817 ( -5.366 0.000 3.740) 6.540 14.892 ( 8.595 0.000 -9.199) 12.589 14.976 ( 2.371 0.000 2.342) 3.332 15.110 ( -6.421 0.000 1.241) 6.540 15.611 ( 17.867 0.000 -3.681) 18.242 15.878 ( 3.601 0.000 -1.140) 3.777 15.930 ( -6.559 0.000 1.624) 6.757 16.652 ( -4.682 0.000 -1.729) 4.992 16.799 ( 17.616 0.000 5.715) 18.520 17.212 ( 11.996 0.000 1.036) 12.041 19.037 ( 23.897 0.000 58.601) 63.286 20.092 ( -13.069 0.000 20.131) 24.001 20.668 ( -9.062 0.000 -10.614) 13.957 20.760 ( -12.876 0.000 -23.971) 27.210 21.335 ( -3.627 0.000 1.450) 3.906 21.393 ( -2.012 0.000 -2.109) 2.915 21.946 ( 3.759 0.000 0.571) 3.802 22.086 ( 22.704 0.000 -20.845) 30.822 22.305 ( 3.830 0.000 -7.224) 8.176 22.513 ( -4.548 0.000 5.366) 7.034 22.744 ( -0.511 0.000 4.382) 4.412 23.036 ( 2.112 0.000 -2.646) 3.385 23.857 ( -0.558 0.000 -3.276) 3.323 23.981 ( -2.644 0.000 9.062) 9.439 23.990 ( -9.797 0.000 7.757) 12.496 24.400 ( -8.307 0.000 -9.011) 12.255 26.178 ( 1.407 0.000 19.084) 19.136 27.065 ( 0.461 0.000 0.282) 0.540 27.086 ( -3.722 0.000 -4.726) 6.016 27.454 ( 0.188 0.000 -5.439) 5.442 ======================= Grid point 66 (24/128) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 10.134 0.000 4.018) 10.901 1.714 ( 23.500 0.000 8.511) 24.994 2.122 ( 7.432 0.000 2.480) 7.835 2.230 ( -5.842 0.000 -3.960) 7.058 2.359 ( -6.327 0.000 -4.745) 7.909 2.515 ( 14.556 0.000 0.627) 14.570 2.794 ( 2.632 0.000 2.654) 3.738 3.094 ( -4.285 0.000 5.476) 6.953 3.201 ( 9.874 0.000 -4.674) 10.924 3.419 ( -1.535 0.000 -2.283) 2.751 3.562 ( -8.927 0.000 2.399) 9.244 3.668 ( 8.253 0.000 9.845) 12.846 3.981 ( -8.543 0.000 6.780) 10.906 4.172 ( 11.557 0.000 27.207) 29.560 4.278 ( -3.663 0.000 -10.930) 11.528 4.437 ( -0.185 0.000 -10.426) 10.428 4.759 ( -8.866 0.000 -0.365) 8.874 5.365 ( -0.657 0.000 6.814) 6.845 5.395 ( -6.093 0.000 -9.804) 11.543 5.564 ( 3.182 0.000 2.289) 3.919 5.633 ( 5.199 0.000 1.876) 5.527 5.699 ( 6.640 0.000 3.971) 7.737 5.804 ( 8.868 0.000 0.276) 8.872 6.187 ( -8.559 0.000 -2.421) 8.895 6.449 ( -2.050 0.000 6.302) 6.627 6.456 ( -6.494 0.000 3.918) 7.584 6.653 ( -2.605 0.000 -5.728) 6.292 6.684 ( -6.671 0.000 3.847) 7.701 6.769 ( -4.409 0.000 1.679) 4.717 6.775 ( -8.078 0.000 1.667) 8.248 6.943 ( -7.892 0.000 -2.235) 8.202 6.990 ( -7.688 0.000 -2.210) 8.000 7.110 ( 20.057 0.000 -11.705) 23.223 7.266 ( -9.866 0.000 3.969) 10.635 7.672 ( 2.828 0.000 -3.460) 4.468 7.778 ( 3.363 0.000 -4.743) 5.814 7.978 ( -1.108 0.000 11.478) 11.531 8.167 ( 4.064 0.000 -5.942) 7.199 8.183 ( 13.380 0.000 -4.609) 14.151 8.351 ( -6.545 0.000 1.666) 6.753 8.504 ( 13.158 0.000 -9.270) 16.095 8.722 ( 13.056 0.000 3.252) 13.455 8.862 ( 14.238 0.000 0.431) 14.244 9.041 ( 5.123 0.000 -3.343) 6.118 9.261 ( -2.247 0.000 1.862) 2.919 9.604 ( -7.180 0.000 7.732) 10.551 9.704 ( -12.585 0.000 -2.706) 12.873 9.785 ( -18.776 0.000 -9.151) 20.887 9.897 ( 1.026 0.000 1.590) 1.892 10.258 ( 6.978 0.000 -2.148) 7.301 10.342 ( -7.632 0.000 10.563) 13.031 10.523 ( 0.355 0.000 -12.317) 12.322 10.710 ( 0.691 0.000 -11.260) 11.282 10.930 ( 1.720 0.000 12.656) 12.773 11.081 ( -3.119 0.000 1.989) 3.699 11.200 ( 1.267 0.000 16.661) 16.709 11.959 ( -1.495 0.000 7.979) 8.117 12.330 ( -0.212 0.000 -12.460) 12.462 12.357 ( -5.351 0.000 2.232) 5.798 12.618 ( -4.337 0.000 1.259) 4.515 13.179 ( 4.695 0.000 14.632) 15.367 13.477 ( -12.751 0.000 -9.523) 15.915 13.573 ( -2.143 0.000 -23.710) 23.807 13.910 ( -1.349 0.000 20.405) 20.450 14.085 ( 4.355 0.000 -14.207) 14.859 14.430 ( 0.902 0.000 6.343) 6.407 14.771 ( -3.627 0.000 0.105) 3.628 14.931 ( 5.097 0.000 -7.609) 9.158 15.061 ( 5.125 0.000 1.022) 5.226 15.067 ( -2.997 0.000 6.855) 7.481 15.785 ( 2.906 0.000 -0.729) 2.996 15.831 ( -0.699 0.000 -4.510) 4.564 16.037 ( 13.301 0.000 3.587) 13.776 16.541 ( -6.874 0.000 -1.484) 7.033 17.088 ( 11.955 0.000 2.158) 12.148 17.346 ( 5.465 0.000 -2.983) 6.226 19.884 ( 18.609 0.000 44.702) 48.421 19.983 ( -8.955 0.000 -15.119) 17.572 20.193 ( -19.360 0.000 -38.832) 43.391 20.495 ( -5.014 0.000 7.338) 8.887 21.292 ( -3.004 0.000 0.796) 3.107 21.350 ( -1.427 0.000 0.186) 1.440 22.044 ( 6.502 0.000 1.080) 6.591 22.182 ( 8.568 0.000 -13.634) 16.102 22.317 ( 6.493 0.000 -8.872) 10.994 22.472 ( -6.316 0.000 5.802) 8.576 22.784 ( 1.539 0.000 2.578) 3.002 23.034 ( 0.389 0.000 -2.411) 2.442 23.819 ( -0.420 0.000 -3.056) 3.085 23.900 ( -9.114 0.000 7.501) 11.804 24.016 ( -3.375 0.000 9.438) 10.024 24.240 ( -2.309 0.000 -5.586) 6.044 26.323 ( -1.607 0.000 10.363) 10.487 27.006 ( -0.709 0.000 -2.266) 2.375 27.076 ( 0.356 0.000 -1.219) 1.270 27.417 ( 0.292 0.000 -1.309) 1.341 ======================= Grid point 67 (25/128) ======================= q-point: (-0.56 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 3.218 0.000 1.396) 3.508 2.122 ( 11.386 0.000 5.761) 12.761 2.167 ( 2.331 0.000 1.689) 2.878 2.183 ( -5.079 0.000 -2.424) 5.628 2.288 ( 4.999 0.000 5.652) 7.546 2.778 ( 16.634 0.000 -1.313) 16.685 2.832 ( -1.139 0.000 0.598) 1.287 3.043 ( -6.155 0.000 3.445) 7.053 3.259 ( -0.284 0.000 -2.786) 2.801 3.412 ( 2.387 0.000 0.805) 2.519 3.456 ( -3.630 0.000 -1.850) 4.075 3.584 ( -14.778 0.000 -22.119) 26.601 3.822 ( -5.624 0.000 4.728) 7.347 3.964 ( -20.113 0.000 -31.765) 37.597 4.372 ( 6.927 0.000 11.587) 13.499 4.580 ( 11.236 0.000 14.855) 18.626 4.891 ( 5.101 0.000 7.040) 8.694 5.177 ( -6.402 0.000 -2.557) 6.893 5.325 ( -7.665 0.000 1.508) 7.812 5.605 ( -1.093 0.000 1.827) 2.129 5.678 ( -0.300 0.000 0.673) 0.737 5.891 ( 8.485 0.000 5.515) 10.120 6.001 ( -2.721 0.000 -7.858) 8.316 6.042 ( 10.426 0.000 1.054) 10.479 6.415 ( -2.094 0.000 2.898) 3.576 6.426 ( -1.902 0.000 3.123) 3.656 6.462 ( -15.206 0.000 3.875) 15.691 6.496 ( -9.692 0.000 -4.117) 10.530 6.717 ( -6.694 0.000 -4.488) 8.060 6.781 ( 0.590 0.000 2.543) 2.611 6.858 ( 2.613 0.000 2.169) 3.396 6.910 ( -0.812 0.000 0.403) 0.907 7.183 ( -4.855 0.000 6.528) 8.135 7.403 ( 21.259 0.000 -5.538) 21.968 7.705 ( 3.047 0.000 -0.680) 3.122 7.776 ( 3.653 0.000 -7.218) 8.090 7.991 ( -8.599 0.000 6.016) 10.494 8.126 ( -2.161 0.000 -7.394) 7.703 8.257 ( 1.033 0.000 -2.986) 3.160 8.297 ( -4.086 0.000 6.224) 7.445 8.632 ( 16.763 0.000 -26.483) 31.342 8.957 ( 12.132 0.000 -1.958) 12.289 9.028 ( 0.765 0.000 -2.276) 2.402 9.110 ( 14.208 0.000 -2.895) 14.500 9.312 ( -20.748 0.000 -12.717) 24.335 9.352 ( 8.147 0.000 0.780) 8.184 9.396 ( -11.261 0.000 -10.821) 15.618 9.523 ( -9.974 0.000 5.266) 11.279 9.928 ( -7.379 0.000 12.852) 14.820 10.213 ( 0.815 0.000 -14.978) 15.000 10.341 ( -2.946 0.000 10.773) 11.169 10.583 ( 9.061 0.000 2.092) 9.300 10.620 ( 1.326 0.000 -11.291) 11.368 10.940 ( -6.959 0.000 0.578) 6.983 11.129 ( 0.247 0.000 11.761) 11.763 11.348 ( -1.344 0.000 15.552) 15.610 11.979 ( -5.465 0.000 7.175) 9.020 12.268 ( 5.234 0.000 -8.831) 10.265 12.322 ( -1.355 0.000 4.294) 4.503 12.626 ( -0.160 0.000 7.659) 7.661 13.196 ( -9.561 0.000 -7.020) 11.861 13.333 ( -0.595 0.000 -22.222) 22.230 13.407 ( 4.919 0.000 12.476) 13.411 14.095 ( 0.613 0.000 19.785) 19.795 14.107 ( 8.771 0.000 -4.541) 9.877 14.509 ( 0.561 0.000 4.112) 4.150 14.699 ( -4.017 0.000 2.530) 4.747 14.932 ( 3.051 0.000 -6.799) 7.452 15.124 ( -0.708 0.000 10.978) 11.001 15.140 ( 3.238 0.000 0.046) 3.239 15.709 ( -2.060 0.000 -5.917) 6.265 15.902 ( 4.570 0.000 3.316) 5.646 16.289 ( 8.895 0.000 2.369) 9.205 16.399 ( -6.420 0.000 0.465) 6.437 17.199 ( 1.305 0.000 -4.913) 5.084 17.386 ( 3.437 0.000 -2.141) 4.049 19.367 ( -25.175 0.000 -54.032) 59.609 19.507 ( -11.988 0.000 -44.881) 46.455 20.513 ( 14.060 0.000 28.673) 31.935 20.600 ( 1.830 0.000 14.714) 14.827 21.261 ( -0.779 0.000 0.602) 0.985 21.346 ( -0.907 0.000 2.627) 2.779 22.161 ( 3.429 0.000 -11.652) 12.146 22.171 ( 6.548 0.000 1.945) 6.830 22.353 ( 7.235 0.000 -9.297) 11.781 22.406 ( -8.138 0.000 6.425) 10.369 22.838 ( 2.470 0.000 1.248) 2.768 23.011 ( -0.417 0.000 -1.839) 1.886 23.788 ( 0.018 0.000 -2.904) 2.904 23.813 ( -6.779 0.000 2.927) 7.384 24.036 ( -4.079 0.000 8.709) 9.617 24.244 ( 3.710 0.000 4.111) 5.537 26.294 ( -6.731 0.000 0.231) 6.735 27.037 ( -0.753 0.000 -5.469) 5.521 27.040 ( 2.866 0.000 4.510) 5.344 27.459 ( 2.205 0.000 4.761) 5.247 ======================= Grid point 68 (26/128) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -7.390 0.000 3.013) 7.980 1.936 ( -14.159 0.000 -2.843) 14.441 2.295 ( 4.734 0.000 4.749) 6.706 2.368 ( 3.700 0.000 0.904) 3.809 2.378 ( -0.153 0.000 4.838) 4.840 2.774 ( -1.996 0.000 -4.534) 4.954 2.968 ( 0.235 0.000 -7.537) 7.541 2.998 ( -21.645 0.000 -14.118) 25.843 3.014 ( 6.136 0.000 1.078) 6.231 3.222 ( -3.285 0.000 -4.661) 5.703 3.310 ( -24.405 0.000 -20.886) 32.122 3.430 ( 7.497 0.000 -12.437) 14.522 3.510 ( 4.493 0.000 4.730) 6.524 3.702 ( -10.349 0.000 -1.546) 10.464 4.620 ( 8.886 0.000 12.080) 14.997 4.647 ( -14.010 0.000 -2.553) 14.241 4.962 ( 9.199 0.000 7.243) 11.708 5.168 ( -8.114 0.000 -5.509) 9.808 5.321 ( 12.375 0.000 4.692) 13.234 5.553 ( -7.895 0.000 3.286) 8.551 5.644 ( -4.327 0.000 1.443) 4.561 5.866 ( -1.409 0.000 -9.278) 9.384 6.020 ( -0.086 0.000 4.665) 4.666 6.050 ( -11.701 0.000 -11.354) 16.305 6.252 ( -7.589 0.000 -0.950) 7.648 6.315 ( 1.992 0.000 -4.425) 4.852 6.494 ( 0.981 0.000 -1.020) 1.415 6.594 ( 4.295 0.000 -2.291) 4.868 6.605 ( 8.715 0.000 6.274) 10.738 6.794 ( 2.638 0.000 1.696) 3.136 6.927 ( 1.081 0.000 3.134) 3.315 6.958 ( 5.082 0.000 2.782) 5.794 7.268 ( 5.481 0.000 9.813) 11.240 7.582 ( -0.879 0.000 0.278) 0.922 7.685 ( -6.633 0.000 -7.943) 10.348 7.827 ( -9.457 0.000 1.635) 9.597 7.875 ( 16.158 0.000 -8.905) 18.449 7.990 ( -4.396 0.000 -2.342) 4.981 8.204 ( -1.718 0.000 -4.334) 4.662 8.291 ( -2.694 0.000 2.528) 3.694 8.609 ( 8.513 0.000 -19.849) 21.598 8.728 ( -23.243 0.000 -13.840) 27.052 8.937 ( -11.809 0.000 0.142) 11.810 9.085 ( 1.892 0.000 0.647) 1.999 9.201 ( 7.650 0.000 -21.919) 23.216 9.304 ( -1.566 0.000 -3.886) 4.190 9.526 ( 17.521 0.000 -4.471) 18.082 9.564 ( 11.763 0.000 3.736) 12.342 9.924 ( -8.131 0.000 16.972) 18.819 10.087 ( 0.477 0.000 -14.672) 14.680 10.392 ( 5.523 0.000 -8.373) 10.031 10.579 ( -4.417 0.000 11.178) 12.020 10.745 ( -1.655 0.000 -0.221) 1.670 10.835 ( 2.238 0.000 5.388) 5.835 11.214 ( -2.491 0.000 9.549) 9.868 11.440 ( -3.797 0.000 14.220) 14.718 11.904 ( -7.978 0.000 2.463) 8.350 12.359 ( 12.376 0.000 -4.239) 13.082 12.375 ( 0.780 0.000 5.858) 5.909 12.724 ( 1.497 0.000 9.707) 9.822 13.022 ( -6.654 0.000 -0.974) 6.725 13.168 ( 2.677 0.000 -16.699) 16.912 13.545 ( 2.804 0.000 2.426) 3.708 14.279 ( 1.874 0.000 15.701) 15.812 14.302 ( 10.856 0.000 7.683) 13.300 14.463 ( -0.064 0.000 -8.296) 8.297 14.770 ( -0.286 0.000 18.192) 18.194 14.915 ( 1.707 0.000 -5.570) 5.826 15.173 ( 0.516 0.000 1.018) 1.141 15.223 ( -0.321 0.000 12.188) 12.193 15.641 ( 1.251 0.000 -7.758) 7.859 16.010 ( 2.333 0.000 6.250) 6.671 16.152 ( -12.148 0.000 -4.075) 12.813 16.543 ( 7.613 0.000 6.702) 10.143 17.071 ( -7.599 0.000 -8.652) 11.515 17.389 ( -1.217 0.000 -4.439) 4.602 18.397 ( -26.193 0.000 -59.896) 65.373 18.823 ( -10.381 0.000 -61.715) 62.582 20.763 ( 3.611 0.000 9.776) 10.421 20.891 ( 9.121 0.000 11.644) 14.791 21.294 ( 2.428 0.000 3.967) 4.651 21.362 ( -0.773 0.000 4.131) 4.203 22.097 ( 2.430 0.000 -12.964) 13.190 22.288 ( 3.561 0.000 2.804) 4.533 22.319 ( -8.200 0.000 6.751) 10.621 22.386 ( 6.484 0.000 -8.854) 10.974 22.873 ( 0.578 0.000 0.015) 0.578 23.000 ( 1.433 0.000 -2.133) 2.570 23.742 ( -3.657 0.000 1.632) 4.005 23.768 ( 0.627 0.000 -2.752) 2.823 24.040 ( -4.102 0.000 7.436) 8.492 24.426 ( 9.009 0.000 11.271) 14.429 26.147 ( -9.041 0.000 -1.193) 9.119 26.987 ( 0.988 0.000 -4.591) 4.696 27.146 ( 2.870 0.000 6.490) 7.096 27.540 ( 1.725 0.000 3.959) 4.318 ======================= Grid point 69 (27/128) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -21.448 0.000 5.189) 22.067 1.599 ( -19.944 0.000 -12.301) 23.433 2.095 ( -26.470 0.000 -13.359) 29.650 2.112 ( -14.947 0.000 -27.967) 31.710 2.368 ( -3.536 0.000 -5.841) 6.828 2.691 ( -5.275 0.000 -1.029) 5.374 2.744 ( 2.511 0.000 1.056) 2.724 2.840 ( -21.886 0.000 6.704) 22.890 2.848 ( -10.172 0.000 2.932) 10.586 3.084 ( 5.294 0.000 6.095) 8.073 3.357 ( 12.502 0.000 -5.349) 13.598 3.399 ( -7.183 0.000 -8.916) 11.450 3.572 ( 10.416 0.000 -7.142) 12.630 3.611 ( 0.511 0.000 6.281) 6.302 4.376 ( -13.871 0.000 1.616) 13.965 4.846 ( 3.978 0.000 0.206) 3.983 4.988 ( -1.535 0.000 -4.218) 4.489 5.191 ( 12.071 0.000 -0.576) 12.085 5.404 ( -11.880 0.000 5.083) 12.921 5.516 ( 4.686 0.000 0.963) 4.784 5.560 ( -9.747 0.000 -1.923) 9.935 5.614 ( -10.234 0.000 -24.780) 26.810 5.806 ( -0.993 0.000 -2.835) 3.003 5.964 ( -8.096 0.000 2.036) 8.348 6.202 ( 3.897 0.000 -6.097) 7.236 6.381 ( 5.308 0.000 1.632) 5.553 6.437 ( 1.500 0.000 -3.270) 3.598 6.596 ( -1.314 0.000 -8.125) 8.230 6.819 ( 15.273 0.000 2.731) 15.515 6.950 ( 2.956 0.000 5.904) 6.603 7.038 ( 1.884 0.000 -2.813) 3.386 7.062 ( 4.249 0.000 2.186) 4.778 7.377 ( -3.703 0.000 -3.769) 5.284 7.469 ( -8.663 0.000 -5.051) 10.028 7.516 ( 5.499 0.000 9.360) 10.856 7.736 ( -2.397 0.000 -1.823) 3.011 7.740 ( -10.199 0.000 -6.638) 12.169 8.162 ( -6.941 0.000 -3.556) 7.799 8.169 ( -1.238 0.000 1.589) 2.014 8.238 ( 7.241 0.000 3.920) 8.235 8.376 ( -0.711 0.000 -5.975) 6.017 8.593 ( 5.542 0.000 -11.766) 13.006 8.741 ( -10.082 0.000 3.040) 10.531 9.016 ( -11.532 0.000 5.811) 12.914 9.170 ( 10.844 0.000 -20.180) 22.909 9.272 ( 5.651 0.000 -8.285) 10.028 9.766 ( 10.395 0.000 -2.479) 10.686 9.823 ( 19.665 0.000 -7.180) 20.935 9.954 ( -3.276 0.000 10.185) 10.699 9.968 ( 1.502 0.000 -12.035) 12.129 10.364 ( 4.967 0.000 -15.128) 15.922 10.580 ( -11.839 0.000 0.809) 11.867 10.726 ( -3.803 0.000 38.180) 38.369 11.060 ( 12.481 0.000 4.634) 13.314 11.205 ( -7.265 0.000 6.507) 9.753 11.481 ( -6.638 0.000 13.882) 15.388 11.779 ( -6.440 0.000 -2.328) 6.848 12.426 ( -0.569 0.000 4.512) 4.548 12.576 ( 15.324 0.000 -2.203) 15.481 12.831 ( 1.431 0.000 7.524) 7.659 12.947 ( -4.436 0.000 4.652) 6.429 13.130 ( 6.893 0.000 -9.218) 11.510 13.553 ( 0.290 0.000 -5.661) 5.669 14.321 ( 0.525 0.000 -10.337) 10.350 14.444 ( 3.649 0.000 10.147) 10.783 14.671 ( 12.620 0.000 14.160) 18.968 14.891 ( 0.707 0.000 -4.159) 4.218 14.981 ( 3.979 0.000 21.516) 21.881 15.187 ( -1.713 0.000 3.851) 4.214 15.343 ( 0.683 0.000 15.033) 15.048 15.601 ( 3.584 0.000 -9.608) 10.254 15.873 ( -13.825 0.000 -6.243) 15.169 16.102 ( -0.906 0.000 9.411) 9.455 16.688 ( 2.974 0.000 3.762) 4.796 16.816 ( -12.583 0.000 -8.342) 15.098 17.225 ( -10.196 0.000 -11.941) 15.702 17.477 ( -20.676 0.000 -49.090) 53.267 18.049 ( -7.491 0.000 -75.040) 75.413 20.895 ( 4.003 0.000 5.281) 6.627 21.062 ( 6.323 0.000 0.015) 6.323 21.354 ( -0.875 0.000 3.708) 3.810 21.437 ( 3.582 0.000 7.106) 7.957 22.000 ( 1.508 0.000 -16.371) 16.441 22.209 ( -10.037 0.000 6.809) 12.128 22.386 ( 2.842 0.000 3.197) 4.278 22.409 ( 5.926 0.000 -9.072) 10.836 22.861 ( -0.931 0.000 -1.221) 1.536 23.008 ( 2.080 0.000 -3.470) 4.046 23.728 ( -0.238 0.000 2.478) 2.490 23.761 ( 1.316 0.000 -2.139) 2.511 24.037 ( -3.395 0.000 5.823) 6.741 24.737 ( 13.068 0.000 15.429) 20.220 26.000 ( -9.653 0.000 5.331) 11.027 26.995 ( 3.704 0.000 -2.654) 4.557 27.238 ( 0.941 0.000 6.100) 6.172 27.575 ( 0.001 0.000 0.543) 0.543 ======================= Grid point 70 (28/128) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -28.699 0.000 -34.508) 44.882 1.055 ( -29.573 0.000 10.814) 31.488 1.554 ( -11.482 0.000 -28.436) 30.667 1.570 ( -32.690 0.000 12.941) 35.159 2.230 ( -9.379 0.000 0.380) 9.386 2.493 ( -26.528 0.000 9.729) 28.256 2.620 ( -3.879 0.000 -2.113) 4.417 2.702 ( -13.007 0.000 7.706) 15.119 2.799 ( -3.723 0.000 5.983) 7.047 3.106 ( -12.408 0.000 -15.000) 19.467 3.305 ( 13.801 0.000 1.413) 13.873 3.473 ( 10.169 0.000 -7.566) 12.675 3.644 ( -2.623 0.000 6.462) 6.974 3.817 ( 19.966 0.000 -5.760) 20.780 4.257 ( -5.098 0.000 6.526) 8.281 4.582 ( -7.835 0.000 -34.067) 34.957 5.109 ( -11.107 0.000 -10.593) 15.349 5.166 ( 4.469 0.000 0.693) 4.522 5.214 ( -6.654 0.000 -3.374) 7.460 5.318 ( -8.521 0.000 6.629) 10.796 5.485 ( -6.099 0.000 0.929) 6.169 5.551 ( 6.458 0.000 -3.947) 7.569 5.781 ( -2.079 0.000 1.350) 2.479 5.877 ( 1.284 0.000 -5.510) 5.658 6.233 ( 3.101 0.000 0.585) 3.155 6.474 ( 3.494 0.000 -1.832) 3.945 6.539 ( 9.248 0.000 4.081) 10.109 6.562 ( 8.967 0.000 -9.572) 13.116 6.697 ( -16.967 0.000 -18.319) 24.969 7.024 ( 0.607 0.000 4.027) 4.073 7.074 ( 10.531 0.000 0.039) 10.531 7.124 ( -0.062 0.000 1.515) 1.517 7.219 ( -8.446 0.000 -12.745) 15.289 7.457 ( -1.149 0.000 4.807) 4.942 7.548 ( -8.860 0.000 2.860) 9.310 7.633 ( 3.012 0.000 6.017) 6.729 7.819 ( 6.225 0.000 2.659) 6.769 7.966 ( -7.839 0.000 -3.136) 8.443 8.166 ( -2.742 0.000 6.852) 7.381 8.228 ( -0.269 0.000 -5.619) 5.626 8.541 ( 0.442 0.000 -6.278) 6.293 8.582 ( 11.193 0.000 5.259) 12.367 8.709 ( -0.337 0.000 3.660) 3.675 8.886 ( -10.211 0.000 8.232) 13.116 9.215 ( 13.721 0.000 -13.703) 19.392 9.295 ( 6.572 0.000 -10.317) 12.233 9.831 ( -0.973 0.000 -7.290) 7.355 9.872 ( 7.987 0.000 -5.608) 9.760 10.007 ( 2.263 0.000 2.537) 3.400 10.126 ( 16.631 0.000 -5.193) 17.422 10.314 ( 3.994 0.000 -10.841) 11.553 10.400 ( -11.109 0.000 3.711) 11.713 11.088 ( -8.316 0.000 -0.461) 8.329 11.198 ( 6.231 0.000 56.131) 56.475 11.313 ( 11.444 0.000 3.469) 11.958 11.495 ( -6.650 0.000 26.058) 26.893 11.659 ( -4.535 0.000 -2.607) 5.231 12.443 ( -1.090 0.000 2.835) 3.038 12.769 ( 7.850 0.000 -1.943) 8.087 12.913 ( 2.990 0.000 4.087) 5.064 12.951 ( -1.543 0.000 6.602) 6.780 13.220 ( 10.079 0.000 -3.484) 10.664 13.442 ( -4.046 0.000 -13.953) 14.528 14.267 ( 4.101 0.000 -9.883) 10.700 14.586 ( 5.548 0.000 3.662) 6.647 14.857 ( -0.312 0.000 -4.931) 4.941 14.939 ( 4.979 0.000 9.351) 10.594 15.151 ( -5.158 0.000 -1.441) 5.355 15.313 ( 10.774 0.000 20.849) 23.469 15.555 ( 6.520 0.000 18.684) 19.789 15.557 ( -9.973 0.000 -6.186) 11.736 15.649 ( 3.426 0.000 -1.619) 3.789 16.154 ( -3.964 0.000 9.399) 10.201 16.553 ( -11.603 0.000 2.120) 11.795 16.618 ( -6.307 0.000 -14.130) 15.474 16.784 ( -17.642 0.000 -39.107) 42.903 16.980 ( -3.646 0.000 -9.028) 9.737 17.181 ( -17.247 0.000 -66.722) 68.915 20.994 ( 3.617 0.000 2.087) 4.176 21.141 ( 5.405 0.000 -3.456) 6.415 21.363 ( -1.386 0.000 3.099) 3.394 21.544 ( 1.850 0.000 4.713) 5.062 21.825 ( -2.345 0.000 -22.583) 22.705 22.108 ( -8.764 0.000 6.181) 10.725 22.419 ( 5.575 0.000 -10.208) 11.631 22.449 ( 1.054 0.000 3.658) 3.807 22.828 ( -0.613 0.000 -3.134) 3.193 23.002 ( 1.374 0.000 -3.860) 4.097 23.774 ( 1.841 0.000 -0.798) 2.006 23.775 ( 2.387 0.000 3.770) 4.462 24.031 ( -2.655 0.000 3.783) 4.622 25.120 ( 15.789 0.000 11.272) 19.400 25.973 ( -5.653 0.000 22.779) 23.470 27.048 ( 4.774 0.000 -2.342) 5.318 27.287 ( -1.438 0.000 5.656) 5.836 27.558 ( -0.936 0.000 -1.961) 2.173 ======================= Grid point 71 (29/128) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -2.527 0.000 32.060) 32.159 0.703 ( -26.417 0.000 20.160) 33.231 1.211 ( -31.854 0.000 32.270) 45.344 1.426 ( 6.163 0.000 13.677) 15.001 2.092 ( -7.529 0.000 4.004) 8.527 2.114 ( -20.715 0.000 0.609) 20.724 2.491 ( -15.405 0.000 2.120) 15.550 2.569 ( -2.407 0.000 -0.686) 2.503 2.782 ( -4.914 0.000 6.012) 7.765 2.830 ( -0.690 0.000 15.058) 15.074 3.501 ( 7.148 0.000 -1.370) 7.278 3.578 ( 9.016 0.000 -5.819) 10.731 3.671 ( -0.455 0.000 6.761) 6.776 4.062 ( 16.217 0.000 -9.519) 18.805 4.244 ( 5.941 0.000 11.884) 13.286 4.271 ( -2.329 0.000 7.299) 7.662 4.860 ( -7.218 0.000 0.765) 7.259 5.065 ( -6.859 0.000 -2.401) 7.267 5.196 ( -8.454 0.000 7.347) 11.201 5.257 ( 0.861 0.000 -7.103) 7.155 5.425 ( -4.051 0.000 7.998) 8.966 5.676 ( 11.699 0.000 -7.692) 14.001 5.748 ( -4.827 0.000 4.489) 6.592 5.920 ( 4.374 0.000 3.630) 5.684 6.243 ( -12.487 0.000 -12.270) 17.507 6.296 ( 1.025 0.000 2.736) 2.922 6.549 ( 11.682 0.000 -9.817) 15.259 6.718 ( 9.883 0.000 1.138) 9.949 6.786 ( 11.071 0.000 10.088) 14.978 6.941 ( -7.458 0.000 -9.181) 11.828 7.036 ( -9.459 0.000 -0.823) 9.495 7.041 ( -1.875 0.000 2.095) 2.811 7.213 ( 1.750 0.000 0.900) 1.968 7.411 ( -4.829 0.000 2.021) 5.235 7.547 ( 5.775 0.000 0.633) 5.810 7.751 ( 1.428 0.000 7.263) 7.402 7.793 ( -9.837 0.000 2.389) 10.123 7.838 ( -4.614 0.000 -1.644) 4.899 8.214 ( 5.373 0.000 -6.473) 8.413 8.247 ( 4.102 0.000 4.606) 6.168 8.481 ( -0.671 0.000 -9.978) 10.000 8.653 ( -6.116 0.000 0.955) 6.190 8.750 ( -0.149 0.000 6.996) 6.998 8.875 ( -3.312 0.000 9.781) 10.327 9.326 ( 9.635 0.000 -9.094) 13.249 9.386 ( 15.182 0.000 -4.200) 15.752 9.771 ( -0.313 0.000 -4.660) 4.670 9.943 ( 1.043 0.000 0.669) 1.239 10.081 ( 10.917 0.000 -7.424) 13.202 10.256 ( -6.102 0.000 11.756) 13.246 10.326 ( 6.478 0.000 -5.353) 8.403 10.360 ( 8.620 0.000 -4.225) 9.599 10.936 ( -6.200 0.000 -4.270) 7.528 11.304 ( -13.224 0.000 10.414) 16.832 11.457 ( 4.178 0.000 -6.175) 7.455 11.626 ( 1.182 0.000 6.120) 6.233 12.128 ( -5.171 0.000 -27.526) 28.008 12.448 ( -0.717 0.000 1.730) 1.873 12.807 ( 0.222 0.000 -1.605) 1.621 12.917 ( -7.321 0.000 -6.501) 9.791 13.016 ( 3.140 0.000 -1.359) 3.421 13.382 ( 9.743 0.000 0.629) 9.763 13.392 ( 22.716 0.000 53.492) 58.116 14.266 ( 5.331 0.000 -9.106) 10.552 14.678 ( 4.603 0.000 -7.806) 9.062 14.773 ( -1.762 0.000 -6.412) 6.649 15.016 ( -3.581 0.000 -7.093) 7.946 15.030 ( -1.838 0.000 2.458) 3.069 15.320 ( -8.246 0.000 -5.771) 10.064 15.415 ( -10.066 0.000 -18.750) 21.282 15.662 ( -20.368 0.000 -15.404) 25.537 15.798 ( 5.962 0.000 6.740) 8.998 16.035 ( 7.214 0.000 6.750) 9.879 16.101 ( -7.607 0.000 3.094) 8.212 16.436 ( -26.831 0.000 -17.474) 32.019 16.553 ( 4.025 0.000 11.422) 12.110 16.961 ( 0.936 0.000 4.045) 4.152 17.107 ( 60.659 0.000 85.573) 104.892 21.040 ( 1.001 0.000 -2.195) 2.413 21.181 ( 3.341 0.000 -4.278) 5.428 21.372 ( -0.079 0.000 2.012) 2.014 21.448 ( -18.168 0.000 -25.217) 31.080 21.573 ( -1.890 0.000 1.631) 2.496 22.030 ( -6.475 0.000 4.499) 7.885 22.405 ( 4.517 0.000 -11.787) 12.623 22.492 ( -0.306 0.000 4.379) 4.389 22.785 ( -1.142 0.000 -2.975) 3.187 22.990 ( 1.476 0.000 -3.667) 3.953 23.808 ( 1.879 0.000 1.048) 2.152 23.882 ( 6.208 0.000 3.986) 7.378 24.014 ( -2.389 0.000 1.704) 2.935 25.357 ( 7.589 0.000 -5.260) 9.234 26.302 ( 10.747 0.000 22.039) 24.520 27.094 ( 3.442 0.000 -3.421) 4.853 27.292 ( -3.637 0.000 4.225) 5.575 27.522 ( -0.264 0.000 -2.929) 2.941 ======================= Grid point 72 (30/128) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 2.593 15.268 25.548) 29.875 0.950 ( -17.293 12.045 30.548) 37.112 1.704 ( 1.137 27.257 34.635) 44.089 1.765 ( 11.256 4.923 24.413) 27.330 1.993 ( -3.766 -5.369 5.488) 8.552 2.100 ( 6.019 0.134 19.232) 20.152 2.380 ( -0.537 5.016 2.251) 5.524 2.541 ( 1.294 -2.617 -0.011) 2.920 2.741 ( -4.605 0.307 2.884) 5.442 3.070 ( 9.243 -2.349 4.514) 10.551 3.442 ( -1.790 -7.770 0.573) 7.994 3.670 ( 3.706 0.839 -1.841) 4.223 3.781 ( -0.324 5.378 1.048) 5.489 4.117 ( 2.285 -1.570 -8.808) 9.234 4.310 ( -2.219 2.364 6.713) 7.455 4.708 ( 2.174 -11.433 7.233) 13.703 4.961 ( 4.452 -9.311 -2.191) 10.551 5.069 ( 0.917 0.973 1.548) 2.046 5.168 ( 19.067 -13.031 14.260) 27.142 5.312 ( 7.164 0.901 11.486) 13.567 5.372 ( 9.043 -7.445 10.411) 15.672 5.605 ( 0.627 -8.024 1.040) 8.115 5.764 ( 3.253 -0.952 -3.109) 4.600 6.004 ( -1.527 -0.853 1.593) 2.366 6.105 ( 9.827 -6.413 2.260) 11.950 6.386 ( 4.774 1.531 1.011) 5.114 6.584 ( 7.584 -13.683 5.310) 16.521 6.632 ( 9.470 -5.977 -5.190) 12.343 6.810 ( -5.808 -4.398 -1.266) 7.395 6.880 ( -5.151 4.025 -0.757) 6.581 6.977 ( -1.766 -10.244 -0.360) 10.401 7.067 ( -1.715 -2.166 2.867) 3.981 7.240 ( 4.513 8.017 1.283) 9.289 7.455 ( -4.635 3.466 1.004) 5.874 7.505 ( -9.439 -4.709 6.381) 12.328 7.699 ( 2.413 0.619 4.900) 5.497 7.732 ( -1.268 -0.430 6.494) 6.631 8.041 ( 6.086 7.908 -4.387) 10.900 8.266 ( -3.698 4.247 -9.089) 10.692 8.344 ( 7.824 4.155 -4.762) 10.057 8.478 ( -2.336 0.147 -1.543) 2.803 8.589 ( -0.395 8.270 2.007) 8.519 8.712 ( -5.801 -4.784 1.406) 7.649 8.891 ( -5.130 5.495 6.339) 9.834 9.356 ( -4.894 -10.294 7.405) 13.592 9.546 ( 7.614 -2.283 3.202) 8.570 9.626 ( -3.416 -7.616 -1.219) 8.436 9.811 ( -8.365 -13.980 5.510) 17.198 9.904 ( -2.196 0.339 1.654) 2.770 10.294 ( 12.875 0.668 -7.261) 14.796 10.377 ( 0.966 2.576 5.177) 5.863 10.431 ( 4.434 2.956 -0.875) 5.401 10.521 ( 3.498 7.060 6.473) 10.197 11.069 ( -14.404 -6.760 5.602) 16.869 11.309 ( -8.077 1.175 -1.093) 8.235 11.401 ( 2.729 -0.217 -12.007) 12.315 12.199 ( -24.096 37.452 -27.295) 52.233 12.536 ( -1.612 9.322 0.359) 9.467 12.799 ( -1.240 3.800 -4.977) 6.383 12.890 ( -1.313 3.616 -1.320) 4.067 13.103 ( -0.751 8.263 -2.775) 8.749 13.479 ( 3.187 -5.104 4.438) 7.477 14.006 ( -8.592 4.360 -1.033) 9.690 14.121 ( 2.331 -11.294 -5.976) 12.989 14.569 ( -2.481 2.417 -15.242) 15.631 14.678 ( -1.478 -12.127 -2.760) 12.525 14.853 ( 1.129 -3.072 -9.132) 9.701 14.947 ( 5.206 -6.212 -9.801) 12.718 15.072 ( -3.576 0.673 -3.297) 4.911 15.394 ( -9.030 5.787 -8.196) 13.498 15.625 ( -12.489 0.034 -7.010) 14.322 15.874 ( 14.904 5.578 6.348) 17.133 15.963 ( -3.153 -0.113 -1.303) 3.414 16.238 ( -0.223 14.918 9.949) 17.933 16.455 ( 19.563 -3.839 13.445) 24.047 16.742 ( -1.066 -0.875 5.038) 5.223 17.267 ( 16.967 2.577 40.284) 43.787 18.859 ( 73.094 -80.605 78.362) 134.091 20.530 ( -7.889 1.253 1.626) 8.152 20.972 ( -2.046 -4.942 -3.883) 6.609 21.417 ( -1.724 2.334 2.414) 3.775 21.504 ( 1.006 1.374 -2.663) 3.161 21.695 ( 5.261 12.037 -12.399) 18.064 21.943 ( -2.868 -2.294 0.264) 3.682 22.378 ( -0.876 0.837 -3.134) 3.360 22.474 ( 0.548 -0.023 -0.932) 1.082 22.834 ( 1.198 5.603 -0.231) 5.734 23.003 ( 2.126 0.683 -2.689) 3.495 23.851 ( 0.916 0.502 4.503) 4.623 23.924 ( 1.158 -2.350 0.407) 2.651 24.148 ( 1.582 8.438 -2.045) 8.825 25.122 ( -11.727 -10.926 -12.500) 20.326 26.241 ( -15.729 13.478 4.570) 21.212 27.049 ( 2.320 -5.092 -4.111) 6.944 27.252 ( -4.930 0.085 1.730) 5.225 27.472 ( -1.834 -3.200 -2.988) 4.747 ======================= Grid point 73 (31/128) ======================= q-point: ( 0.11 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -11.392 16.862 24.735) 32.030 1.125 ( 10.589 17.967 13.572) 24.883 1.887 ( -0.530 -8.048 6.462) 10.335 2.069 ( 7.064 -1.230 4.231) 8.326 2.257 ( 8.924 9.774 29.510) 32.342 2.399 ( 9.573 7.294 0.571) 12.049 2.599 ( 3.022 -4.873 13.998) 15.126 2.642 ( 10.410 -1.642 9.830) 14.412 2.790 ( 9.130 2.529 19.431) 21.617 3.201 ( 7.379 0.015 -3.283) 8.077 3.403 ( -3.358 -5.964 3.395) 7.640 3.650 ( -7.224 2.887 2.565) 8.192 3.790 ( 1.937 0.108 3.863) 4.323 3.976 ( -8.808 -0.016 -5.807) 10.550 4.339 ( -2.642 4.939 9.165) 10.741 4.776 ( -0.795 -9.313 -11.031) 14.459 4.874 ( -1.251 -9.122 3.568) 9.875 5.147 ( 4.929 -2.809 2.955) 6.397 5.301 ( 1.979 -2.081 2.577) 3.858 5.414 ( 5.402 5.875 2.026) 8.234 5.585 ( -2.231 -2.274 0.436) 3.216 5.750 ( 1.428 -11.117 2.629) 11.512 5.822 ( 4.609 1.818 0.399) 4.971 6.007 ( 3.649 -0.314 5.707) 6.782 6.329 ( 4.495 -6.109 5.047) 9.110 6.488 ( 1.956 0.597 1.037) 2.293 6.631 ( -1.358 -8.873 1.399) 9.085 6.712 ( 0.641 -0.778 -5.596) 5.686 6.829 ( 3.513 1.676 -4.276) 5.782 6.908 ( 8.926 -17.774 3.973) 20.282 6.973 ( 3.115 0.195 -4.824) 5.745 7.128 ( 9.358 -14.451 2.743) 17.433 7.273 ( 2.316 -2.109 -4.908) 5.822 7.354 ( -5.767 0.734 -1.284) 5.954 7.464 ( -1.495 -3.898 4.137) 5.877 7.681 ( -5.840 -3.649 4.232) 8.083 7.831 ( -2.335 0.889 5.340) 5.896 7.958 ( -4.762 5.465 -10.022) 12.369 8.209 ( 5.490 9.057 -1.719) 10.729 8.398 ( -1.237 -1.774 5.119) 5.557 8.460 ( 3.002 3.508 2.182) 5.107 8.560 ( -6.285 -2.397 -1.591) 6.912 8.707 ( 4.511 12.159 -1.644) 13.073 8.841 ( -5.754 5.848 7.786) 11.310 9.301 ( -6.397 -1.178 13.070) 14.599 9.559 ( -4.398 -7.754 2.732) 9.324 9.691 ( 1.346 -5.634 7.039) 9.117 9.858 ( 6.076 -7.982 1.173) 10.099 9.958 ( 8.515 9.920 -0.120) 13.074 10.305 ( -3.595 1.609 -4.703) 6.134 10.448 ( -1.141 5.947 -4.356) 7.459 10.525 ( 7.796 -1.046 4.847) 9.239 10.684 ( 4.557 3.693 13.278) 14.516 10.904 ( -8.407 -7.991 3.341) 12.070 11.155 ( -1.346 19.999 -17.777) 26.792 11.246 ( -7.423 -0.217 -1.781) 7.637 11.920 ( -3.421 10.831 2.105) 11.551 12.517 ( -2.144 6.015 0.946) 6.455 12.689 ( -2.932 5.002 -10.992) 12.427 12.870 ( -2.189 3.380 1.343) 4.245 13.015 ( -5.800 4.421 -1.369) 7.421 13.533 ( -2.880 -7.969 9.089) 12.426 13.872 ( -6.403 -4.273 -2.672) 8.149 14.058 ( -2.666 -7.607 -6.462) 10.330 14.407 ( -1.136 5.063 -10.957) 12.124 14.557 ( -5.155 -10.701 -12.338) 17.127 14.821 ( 3.640 -2.901 -10.688) 11.657 14.918 ( -4.670 1.220 -3.346) 5.873 14.942 ( 0.419 -1.828 -7.149) 7.391 15.224 ( -8.099 -5.346 -2.588) 10.044 15.443 ( 7.064 8.980 -3.960) 12.092 15.905 ( 1.614 2.204 -5.277) 5.942 16.039 ( -4.986 4.981 8.047) 10.697 16.526 ( 19.176 11.700 7.698) 23.746 16.675 ( -1.988 -5.692 -1.079) 6.125 16.926 ( 16.810 0.569 9.057) 19.103 18.107 ( 24.524 3.883 59.402) 64.383 19.815 ( -9.777 -44.095 42.586) 62.077 20.767 ( 18.321 -10.016 -5.940) 21.709 20.889 ( 3.162 -3.652 -5.221) 7.113 21.372 ( -5.492 -0.570 -3.360) 6.463 21.408 ( -6.634 0.396 -1.491) 6.811 21.798 ( 20.606 3.049 -15.022) 25.682 21.911 ( -0.755 -1.376 0.473) 1.640 22.339 ( 1.101 1.831 -5.369) 5.779 22.468 ( -1.498 -1.837 1.251) 2.680 22.861 ( 1.237 7.808 1.053) 7.976 23.024 ( 2.877 0.729 -2.777) 4.064 23.887 ( 0.268 0.624 0.699) 0.975 23.952 ( -1.387 -0.243 5.822) 5.989 24.123 ( -3.292 5.418 -0.489) 6.359 24.693 ( -20.876 -2.752 -9.994) 23.309 26.123 ( -7.152 12.765 15.222) 21.115 27.007 ( -3.571 -6.313 -2.116) 7.556 27.202 ( -0.537 1.217 -2.188) 2.560 27.457 ( 2.734 -3.239 -4.868) 6.454 ======================= Grid point 74 (32/128) ======================= q-point: ( 0.22 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 7.033 5.473 14.382) 16.919 1.473 ( 16.882 9.348 7.857) 20.836 1.945 ( 3.610 -6.207 2.486) 7.598 2.251 ( 11.159 -2.640 0.788) 11.494 2.371 ( -3.431 -0.644 -4.089) 5.376 2.450 ( -3.214 0.403 2.320) 3.984 2.684 ( 2.521 -2.791 1.656) 4.109 3.028 ( 9.646 3.793 14.385) 17.730 3.119 ( 6.907 5.722 6.399) 11.018 3.323 ( 9.014 -3.824 1.919) 9.978 3.490 ( 1.986 -9.379 15.957) 18.615 3.566 ( -4.805 -0.320 6.235) 7.878 3.823 ( -3.311 3.864 9.801) 11.043 3.909 ( 1.917 -0.126 9.918) 10.103 4.405 ( 1.187 5.155 8.648) 10.137 4.528 ( -8.699 -4.949 -17.474) 20.138 4.859 ( -7.850 -14.367 -4.247) 16.914 5.231 ( 2.607 -13.549 1.977) 13.939 5.359 ( 3.760 7.057 5.115) 9.492 5.532 ( 5.144 4.545 1.252) 6.977 5.599 ( 3.069 3.210 -3.183) 5.464 5.725 ( 0.316 2.340 -0.592) 2.434 5.861 ( 0.863 9.358 2.330) 9.683 6.184 ( 5.427 -4.106 6.077) 9.123 6.334 ( -6.115 -6.361 4.404) 9.861 6.491 ( -4.671 -2.082 4.693) 6.941 6.612 ( 1.216 -7.703 -1.098) 7.876 6.695 ( 0.549 1.408 -1.842) 2.383 6.877 ( 5.943 2.330 -6.847) 9.361 6.925 ( 0.555 2.394 -2.552) 3.543 6.997 ( -0.688 -3.947 -0.943) 4.116 7.091 ( -11.673 -1.991 -0.522) 11.853 7.233 ( -5.279 4.571 -4.801) 8.474 7.427 ( -2.080 -6.448 -0.969) 6.844 7.464 ( 10.696 -15.583 -2.982) 19.134 7.661 ( 2.679 -5.971 3.839) 7.588 7.769 ( -2.925 -1.469 -0.375) 3.295 7.898 ( 6.952 0.826 -5.962) 9.196 8.325 ( 5.024 6.452 -3.260) 8.803 8.397 ( -4.442 -4.919 7.659) 10.129 8.477 ( -2.943 1.694 2.891) 4.460 8.583 ( 9.615 6.834 0.541) 11.809 8.744 ( 4.563 11.572 1.118) 12.489 8.935 ( 7.161 4.661 4.385) 9.604 9.326 ( -5.471 0.187 7.735) 9.476 9.544 ( -3.001 -6.536 8.159) 10.877 9.733 ( -1.200 -3.143 6.494) 7.314 9.920 ( 0.527 -6.719 -5.631) 8.782 10.101 ( -2.738 2.577 -1.412) 4.016 10.186 ( 2.267 8.045 -1.906) 8.573 10.331 ( -9.029 -2.095 3.908) 10.059 10.647 ( 6.101 -3.144 -5.989) 9.109 10.792 ( -3.505 1.974 -6.708) 7.822 10.911 ( 3.023 -5.926 12.747) 14.378 10.961 ( -2.606 14.026 -5.019) 15.123 11.193 ( -2.230 2.218 3.323) 4.576 11.942 ( -0.020 4.751 6.444) 8.006 12.466 ( -4.367 3.839 -1.273) 5.952 12.524 ( -3.760 4.294 -10.536) 11.983 12.747 ( -8.947 0.721 -4.195) 9.908 13.013 ( 0.726 1.384 10.024) 10.146 13.577 ( -2.613 -9.161 8.908) 13.042 13.697 ( -6.047 -6.804 -11.903) 14.984 13.904 ( -8.088 -2.496 -5.842) 10.285 14.278 ( -0.918 5.774 -17.472) 18.425 14.408 ( -0.262 -0.528 -0.815) 1.006 14.756 ( -3.321 -4.954 2.019) 6.297 14.894 ( 3.840 -2.003 -6.940) 8.181 14.939 ( 4.557 -1.493 -1.950) 5.177 15.117 ( -3.974 -0.494 1.077) 4.147 15.647 ( 16.658 3.629 -2.529) 17.235 15.904 ( 3.025 1.829 -3.146) 4.733 15.981 ( -6.895 6.102 3.432) 9.827 16.593 ( -4.460 -5.552 -2.536) 7.560 16.899 ( 16.364 9.194 5.780) 19.640 17.231 ( 12.435 1.622 2.110) 12.716 19.069 ( 23.645 3.470 57.699) 62.452 19.942 ( -8.120 -14.491 25.885) 30.757 20.628 ( -6.952 -0.449 -17.902) 19.209 20.901 ( -9.641 10.133 -12.963) 19.070 21.252 ( 3.602 -12.648 -5.099) 14.105 21.338 ( -4.167 -0.453 1.300) 4.389 21.930 ( 2.795 -1.519 0.871) 3.298 22.023 ( 17.529 -5.499 -10.644) 21.232 22.317 ( 2.735 1.275 -6.820) 7.458 22.446 ( -2.823 -3.108 1.820) 4.576 22.883 ( -0.085 9.226 1.187) 9.303 23.042 ( 2.177 0.640 -2.603) 3.453 23.874 ( -0.881 1.730 -2.769) 3.382 23.965 ( -5.756 -0.339 8.496) 10.268 24.042 ( -8.065 3.733 6.211) 10.842 24.347 ( -9.511 -5.114 -8.300) 13.620 26.211 ( -0.972 3.802 15.223) 15.720 26.912 ( -5.224 -9.798 -1.478) 11.202 27.193 ( 2.168 5.025 -2.838) 6.165 27.447 ( 1.720 -0.987 -5.715) 6.049 ======================= Grid point 75 (33/128) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 11.119 -8.841 5.058) 15.079 1.792 ( 14.487 2.636 4.203) 15.313 2.056 ( 6.809 -6.497 0.826) 9.448 2.262 ( -4.253 3.074 0.563) 5.278 2.326 ( -7.836 -3.408 -3.796) 9.351 2.470 ( 12.994 -4.442 0.028) 13.733 2.730 ( 1.283 -4.843 1.668) 5.280 3.072 ( -4.730 -1.485 4.545) 6.726 3.287 ( 3.863 3.725 -2.658) 5.988 3.377 ( 2.655 -1.575 -3.456) 4.634 3.543 ( -5.832 -3.303 5.668) 8.778 3.705 ( 8.613 2.755 8.702) 12.550 3.965 ( -9.044 -1.492 1.881) 9.357 4.097 ( 9.498 -5.969 21.847) 24.559 4.258 ( -1.141 -1.660 -8.479) 8.715 4.485 ( -7.975 1.509 -15.180) 17.214 4.608 ( 0.069 -9.734 6.318) 11.605 5.311 ( 2.606 -9.572 1.065) 9.978 5.449 ( -2.946 6.593 1.069) 7.300 5.546 ( -3.575 5.289 6.200) 8.899 5.588 ( 2.533 -3.357 -1.830) 4.586 5.847 ( 10.567 5.496 1.385) 11.991 5.908 ( 2.140 10.931 2.235) 11.361 6.158 ( -8.866 -2.151 0.575) 9.142 6.341 ( 3.027 -4.332 -0.820) 5.348 6.450 ( -7.018 -3.359 7.663) 10.920 6.593 ( -2.419 -5.571 -4.246) 7.410 6.705 ( -3.359 -2.003 2.838) 4.832 6.802 ( -7.665 7.876 0.930) 11.030 6.866 ( -3.923 5.728 1.983) 7.220 6.927 ( -5.587 0.824 -3.699) 6.751 6.996 ( 1.028 -0.486 -2.514) 2.760 7.197 ( 11.771 5.671 -7.911) 15.274 7.317 ( -7.468 4.263 2.530) 8.964 7.559 ( 3.226 -7.006 -4.115) 8.742 7.736 ( 5.236 -11.731 -4.201) 13.516 7.853 ( 7.569 -3.377 4.962) 9.660 7.997 ( 8.354 -7.238 -6.092) 12.621 8.283 ( -4.508 -0.955 2.903) 5.446 8.355 ( -6.062 -2.830 0.461) 6.706 8.587 ( 14.910 7.716 -6.267) 17.919 8.779 ( 11.483 6.148 1.155) 13.076 8.874 ( 8.439 1.985 -2.011) 8.899 9.086 ( 6.575 5.088 1.146) 8.392 9.274 ( -3.380 1.410 4.150) 5.535 9.556 ( -6.321 -3.303 6.586) 9.707 9.709 ( -11.537 -1.035 -4.295) 12.354 9.829 ( -13.983 3.382 -4.230) 14.995 9.839 ( -1.917 -4.794 -0.904) 5.242 10.217 ( -7.570 -8.632 10.534) 15.582 10.334 ( 2.477 4.211 -0.781) 4.947 10.588 ( 0.704 4.479 -13.130) 13.890 10.642 ( 2.897 -3.939 -15.195) 15.962 10.986 ( 0.270 2.840 3.653) 4.635 11.063 ( -0.428 0.147 13.657) 13.665 11.211 ( -0.899 -0.908 8.504) 8.599 12.019 ( 0.004 6.611 9.016) 11.180 12.342 ( -2.316 2.001 -9.079) 9.581 12.413 ( -4.355 4.645 -0.116) 6.369 12.601 ( -5.405 -2.066 1.608) 6.006 13.171 ( 4.228 -0.244 13.739) 14.377 13.439 ( -11.272 -3.406 -8.226) 14.364 13.519 ( -1.194 -5.338 -18.042) 18.853 13.843 ( -2.678 -6.734 15.278) 16.909 14.141 ( 3.594 5.255 -15.124) 16.410 14.465 ( 1.445 3.191 7.020) 7.845 14.729 ( -2.496 -3.688 -0.097) 4.454 14.908 ( 4.036 -2.861 -3.166) 5.873 15.017 ( 4.293 -1.641 0.020) 4.596 15.100 ( -0.741 0.812 3.874) 4.027 15.851 ( 7.329 5.451 -2.202) 9.395 15.872 ( -3.939 4.435 -2.725) 6.528 16.021 ( 10.811 -0.859 3.415) 11.371 16.479 ( -6.520 -5.914 -2.295) 9.097 17.171 ( 11.192 7.746 2.088) 13.770 17.382 ( 5.965 3.248 -2.301) 7.171 19.854 ( 9.412 -2.093 25.019) 26.813 19.962 ( -2.677 -2.917 2.175) 4.517 20.240 ( -10.920 6.048 -28.058) 30.710 20.589 ( -8.808 7.841 -0.414) 11.800 21.273 ( -0.998 -3.750 -1.731) 4.249 21.310 ( 1.319 -2.056 1.130) 2.691 22.003 ( 4.362 -3.146 0.655) 5.418 22.180 ( 10.245 -2.039 -6.498) 12.303 22.309 ( 4.888 -0.376 -8.019) 9.399 22.405 ( -4.110 -3.948 2.029) 6.049 22.884 ( -0.615 7.662 0.980) 7.749 23.050 ( 1.056 1.692 -1.702) 2.622 23.812 ( -3.352 -0.841 -1.247) 3.674 23.885 ( -9.387 -1.546 5.003) 10.749 24.015 ( -4.140 -0.080 8.683) 9.620 24.213 ( -1.319 -2.518 -2.839) 4.018 26.309 ( -2.007 -0.760 8.845) 9.102 26.823 ( -2.933 -11.721 -1.768) 12.211 27.219 ( 2.637 7.483 -1.390) 8.055 27.427 ( 1.078 0.724 -1.926) 2.323 ======================= Grid point 76 (34/128) ======================= q-point: (-0.56 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 6.385 -10.731 3.350) 12.929 2.027 ( 8.584 -4.681 2.754) 10.158 2.110 ( -7.969 -7.375 -3.458) 11.395 2.185 ( 4.166 -3.426 4.342) 6.924 2.307 ( 2.495 2.423 5.960) 6.900 2.697 ( 14.134 -7.076 -2.043) 15.938 2.752 ( -0.249 -5.421 1.352) 5.593 3.021 ( -6.018 -1.968 4.715) 7.894 3.245 ( -4.390 -2.318 0.781) 5.025 3.395 ( 3.251 -1.498 -12.266) 12.778 3.474 ( -7.856 -1.366 -0.459) 7.987 3.614 ( -10.383 1.931 -19.554) 22.224 3.826 ( -2.592 1.509 2.218) 3.731 3.965 ( -16.492 -0.809 -25.521) 30.397 4.387 ( 6.322 -1.261 12.447) 14.017 4.461 ( 8.462 -6.992 12.994) 17.010 4.828 ( 10.803 -5.036 5.683) 13.205 5.211 ( -8.007 3.950 -9.877) 13.314 5.367 ( -8.073 -0.879 10.330) 13.139 5.527 ( -4.457 -2.683 -0.760) 5.258 5.664 ( 2.297 -0.460 4.937) 5.465 5.910 ( -4.934 -2.421 -4.590) 7.160 6.020 ( -0.820 4.271 0.156) 4.352 6.101 ( 15.546 4.174 1.271) 16.147 6.358 ( -8.972 -3.447 5.185) 10.921 6.388 ( 1.303 -1.670 -1.638) 2.677 6.477 ( -6.526 -0.275 0.286) 6.538 6.587 ( -6.775 6.320 0.766) 9.297 6.762 ( -5.054 5.947 -1.104) 7.882 6.829 ( -2.231 3.492 -2.325) 4.752 6.873 ( 1.603 5.889 6.092) 8.624 6.991 ( 0.842 4.213 0.391) 4.314 7.244 ( -2.750 5.958 3.226) 7.312 7.432 ( 19.094 -0.008 -4.188) 19.548 7.579 ( 2.477 -4.719 -1.019) 5.426 7.763 ( 4.698 -7.139 -7.826) 11.588 7.964 ( -5.393 -4.358 3.714) 7.866 8.015 ( 3.707 -4.658 -6.171) 8.575 8.260 ( -2.360 -2.054 4.255) 5.281 8.262 ( -1.611 -4.517 -4.857) 6.826 8.728 ( 10.512 7.866 -17.882) 22.185 8.890 ( 3.223 -6.903 -2.205) 7.931 8.988 ( 8.760 3.091 -0.818) 9.325 9.211 ( -13.146 -5.807 -6.907) 15.945 9.256 ( 9.325 6.173 -2.497) 11.458 9.342 ( -7.434 -0.968 -10.239) 12.690 9.496 ( -2.487 7.699 -4.376) 9.198 9.558 ( -9.840 4.198 4.007) 11.424 9.860 ( -8.333 -6.387 11.287) 15.415 10.210 ( -5.230 -9.980 8.836) 14.319 10.270 ( 1.601 2.687 -9.651) 10.145 10.550 ( 3.738 -4.847 -17.108) 18.170 10.639 ( 8.882 5.087 1.368) 10.327 10.935 ( -5.751 -0.814 -2.488) 6.318 11.183 ( -0.289 2.469 13.900) 14.120 11.313 ( -0.140 -3.223 13.200) 13.588 12.054 ( -5.443 7.522 6.729) 11.467 12.284 ( 4.345 1.975 -6.460) 8.032 12.390 ( -0.340 6.583 6.024) 8.930 12.603 ( -0.377 -2.202 8.398) 8.691 13.175 ( -8.788 -2.006 -6.656) 11.205 13.319 ( -0.961 -0.328 -14.979) 15.014 13.406 ( 5.256 -1.326 9.665) 11.082 13.980 ( 0.359 -9.250 15.074) 17.689 14.139 ( 7.279 1.921 -4.297) 8.668 14.522 ( -0.240 -0.261 -1.502) 1.543 14.693 ( -2.443 0.638 6.764) 7.220 14.952 ( 4.148 1.674 -3.970) 5.980 15.081 ( 0.455 -3.314 6.842) 7.616 15.147 ( 1.345 -0.144 3.564) 3.812 15.771 ( -2.018 6.017 -5.682) 8.518 15.947 ( 4.334 4.418 2.405) 6.639 16.244 ( 6.506 -4.434 1.436) 8.003 16.345 ( -4.080 -5.032 0.409) 6.491 17.278 ( 1.373 7.317 -4.247) 8.570 17.425 ( 3.001 3.738 -2.495) 5.405 19.385 ( -23.448 1.847 -51.982) 57.055 19.511 ( -13.511 0.274 -44.633) 46.634 20.549 ( 12.693 3.396 25.608) 28.782 20.640 ( 3.206 4.104 14.314) 15.232 21.243 ( -0.158 -1.677 -1.138) 2.033 21.343 ( 0.318 -0.352 2.126) 2.178 22.060 ( 2.859 -4.908 -2.789) 6.328 22.256 ( 5.106 3.335 -3.270) 6.920 22.335 ( -4.533 -5.943 3.711) 8.345 22.359 ( 6.140 0.408 -7.939) 10.045 22.893 ( 0.851 4.926 1.005) 5.098 23.046 ( -0.091 3.476 -0.697) 3.546 23.766 ( -3.429 -3.596 3.266) 5.946 23.785 ( -3.809 -1.815 -0.882) 4.311 24.031 ( -3.667 -0.361 8.266) 9.050 24.226 ( 2.074 -1.949 4.242) 5.109 26.278 ( -6.009 -1.047 0.105) 6.101 26.793 ( 0.179 -13.327 -0.482) 13.337 27.243 ( 1.732 9.141 -0.586) 9.322 27.472 ( 2.675 1.003 4.001) 4.916 ======================= Grid point 77 (35/128) ======================= q-point: (-0.44 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -11.054 -5.602 3.801) 12.963 1.949 ( -4.157 -2.090 -2.009) 5.068 2.193 ( 6.328 -8.699 2.298) 11.000 2.292 ( 0.089 -6.563 6.907) 9.528 2.387 ( 0.520 -1.129 0.920) 1.546 2.719 ( -4.392 -3.352 -4.222) 6.953 2.853 ( 4.563 -7.891 -10.203) 13.681 2.958 ( -11.304 -4.952 -0.015) 12.341 3.052 ( -5.558 1.537 -13.785) 14.943 3.141 ( -15.972 -5.466 -2.354) 17.045 3.273 ( 4.182 -2.415 -17.973) 18.611 3.510 ( -0.273 2.598 -0.321) 2.632 3.588 ( -5.388 4.490 -5.680) 9.026 3.727 ( -6.738 5.488 -6.059) 10.593 4.586 ( 1.731 -5.897 4.539) 7.640 4.637 ( 1.081 -1.331 8.756) 8.922 4.876 ( -4.226 0.521 -0.034) 4.258 5.166 ( 7.301 -9.260 0.634) 11.809 5.340 ( -3.258 1.657 5.753) 6.816 5.415 ( -3.956 -6.426 -5.451) 9.309 5.670 ( -7.533 -2.239 1.612) 8.022 5.747 ( -0.023 -5.180 -10.069) 11.323 5.998 ( -6.310 0.302 -2.532) 6.806 6.177 ( -8.662 6.870 -5.717) 12.447 6.307 ( -4.232 -0.607 0.465) 4.301 6.413 ( 0.902 7.810 -1.202) 7.954 6.462 ( 15.439 -3.329 3.701) 16.222 6.520 ( -6.933 5.621 1.952) 9.136 6.756 ( 4.248 8.657 -1.784) 9.807 6.772 ( 2.000 0.429 -1.408) 2.483 6.936 ( 0.707 1.283 4.250) 4.495 7.053 ( 4.436 5.353 3.909) 7.976 7.319 ( 4.447 5.149 7.902) 10.428 7.589 ( -2.458 -6.109 -0.767) 6.629 7.619 ( 1.195 0.467 -2.698) 2.987 7.747 ( -11.807 -4.727 -4.767) 13.582 7.839 ( 12.275 -3.998 -6.885) 14.631 8.034 ( 0.940 2.137 1.416) 2.730 8.196 ( -0.395 -1.742 -4.672) 5.002 8.264 ( -1.370 -2.655 1.092) 3.181 8.660 ( -2.054 4.731 -16.085) 16.892 8.713 ( -15.247 -1.030 -11.191) 18.941 8.917 ( -6.684 -2.081 -0.969) 7.067 9.091 ( 2.032 1.030 0.376) 2.309 9.092 ( 1.823 -8.727 -17.831) 19.936 9.371 ( -5.963 4.140 -4.467) 8.523 9.528 ( 17.164 2.888 -3.523) 17.758 9.642 ( 11.911 5.299 -1.659) 13.141 9.814 ( -10.162 -10.418 15.351) 21.153 10.136 ( 1.658 3.660 -11.926) 12.585 10.289 ( -0.675 -9.699 3.525) 10.342 10.461 ( 0.483 -5.705 -10.306) 11.790 10.766 ( -4.694 0.822 -2.761) 5.508 10.873 ( 8.549 3.178 5.233) 10.515 11.288 ( -1.665 1.692 12.302) 12.529 11.424 ( -1.000 -1.298 12.641) 12.747 11.997 ( -6.368 10.483 5.603) 13.485 12.360 ( 8.991 0.868 -1.898) 9.230 12.491 ( 3.524 10.467 7.275) 13.225 12.710 ( 1.657 -1.222 11.162) 11.350 13.012 ( -6.164 -0.917 -1.037) 6.318 13.179 ( 1.101 1.389 -13.541) 13.656 13.556 ( 3.548 0.502 3.094) 4.734 14.110 ( 2.038 -11.240 9.008) 14.548 14.312 ( 9.365 -3.803 9.605) 13.944 14.441 ( -1.467 -2.236 -7.691) 8.143 14.785 ( -0.118 2.420 14.750) 14.947 14.979 ( 3.015 5.449 -1.609) 6.432 15.155 ( 1.121 -3.144 5.488) 6.423 15.201 ( -0.818 -0.993 7.958) 8.061 15.702 ( 1.062 5.631 -8.196) 10.000 16.040 ( 1.455 2.801 4.333) 5.360 16.104 ( -10.245 -4.073 -3.159) 11.469 16.490 ( 7.078 -5.248 5.707) 10.498 17.164 ( -7.112 8.694 -7.430) 13.468 17.407 ( -2.447 1.829 -5.665) 6.436 18.434 ( -25.705 3.671 -59.940) 65.322 18.804 ( -12.532 -2.150 -60.732) 62.049 20.780 ( 3.766 1.920 9.309) 10.224 20.943 ( 9.534 4.987 11.223) 15.547 21.264 ( 2.587 -3.308 2.370) 4.822 21.356 ( -1.350 -0.594 2.451) 2.860 22.047 ( 1.152 -3.861 -6.727) 7.841 22.245 ( -8.214 -5.848 4.183) 10.916 22.322 ( 4.482 2.384 -1.717) 5.359 22.412 ( 5.861 1.750 -5.780) 8.416 22.923 ( 1.196 4.815 0.578) 4.995 23.040 ( 0.317 3.817 -0.820) 3.917 23.725 ( -2.266 -1.281 1.445) 2.977 23.774 ( 1.274 -0.186 -0.336) 1.330 24.038 ( -3.680 -0.066 7.269) 8.147 24.367 ( 6.555 -5.953 10.773) 13.945 26.149 ( -7.505 0.816 -1.382) 7.675 26.805 ( 2.057 -13.202 -0.935) 13.394 27.281 ( 1.598 8.484 2.528) 8.996 27.555 ( 2.234 1.123 3.657) 4.430 ======================= Grid point 78 (36/128) ======================= q-point: (-0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -23.568 -4.004 -0.811) 23.920 1.856 ( -7.622 10.151 -6.412) 14.222 2.062 ( -19.986 -1.125 -25.367) 32.314 2.148 ( -18.363 3.441 -9.789) 21.092 2.265 ( -3.298 -9.049 -9.536) 13.553 2.543 ( -2.100 -10.892 1.281) 11.166 2.693 ( -7.113 -8.657 0.334) 11.210 2.786 ( -9.257 -3.736 2.224) 10.228 2.917 ( -12.153 5.123 7.425) 15.135 3.080 ( 7.549 0.961 3.543) 8.395 3.415 ( 14.354 2.085 -1.352) 14.568 3.444 ( -10.223 1.188 -6.698) 12.279 3.535 ( 8.947 -0.689 -6.860) 11.295 3.609 ( -1.323 2.385 -0.593) 2.791 4.415 ( -13.259 3.416 1.231) 13.747 4.778 ( 1.243 -6.108 -1.015) 6.315 4.875 ( 2.444 -7.281 1.887) 7.909 5.196 ( 0.829 -6.496 -6.281) 9.074 5.324 ( -4.600 -3.884 5.355) 8.058 5.354 ( -2.993 -9.285 -7.916) 12.563 5.579 ( 5.009 -10.679 -5.506) 13.017 5.665 ( -14.327 2.909 -13.180) 19.683 5.713 ( -0.262 2.824 -4.986) 5.736 6.041 ( -7.623 5.507 -4.692) 10.509 6.279 ( 0.319 -3.289 -0.066) 3.305 6.348 ( -4.522 -5.631 -0.379) 7.232 6.440 ( 0.535 14.116 0.347) 14.131 6.689 ( 1.509 5.985 -6.923) 9.275 6.801 ( 13.543 -0.814 2.303) 13.761 6.912 ( 5.735 -1.310 2.837) 6.532 7.010 ( 0.770 -1.431 -2.299) 2.815 7.127 ( -3.384 0.521 0.990) 3.564 7.379 ( -3.681 -0.388 -0.679) 3.763 7.489 ( 1.221 1.054 6.746) 6.936 7.547 ( -3.170 4.285 -3.638) 6.453 7.645 ( -1.724 -2.629 0.851) 3.257 7.818 ( -6.133 1.414 0.338) 6.303 8.126 ( -4.139 -1.646 -2.818) 5.271 8.182 ( -4.025 -0.079 -2.375) 4.674 8.253 ( 6.446 1.963 3.081) 7.410 8.351 ( 0.468 -1.378 -5.432) 5.623 8.654 ( 4.596 5.007 -9.870) 11.984 8.761 ( -7.011 2.093 1.456) 7.460 8.997 ( -6.259 -3.575 -0.455) 7.222 9.118 ( 6.362 -2.133 -9.067) 11.280 9.285 ( 2.985 -0.294 -7.220) 7.818 9.735 ( 8.299 -3.212 -4.607) 10.021 9.795 ( 2.083 -6.973 -2.459) 7.682 9.829 ( 9.725 -3.988 0.561) 10.525 10.088 ( 4.334 6.608 -7.286) 10.748 10.301 ( -1.307 -14.280 4.244) 14.954 10.368 ( -3.278 -7.085 -4.578) 9.050 10.629 ( -8.227 2.825 0.874) 8.743 11.093 ( 10.145 1.424 1.423) 10.343 11.352 ( -3.368 -0.467 10.856) 11.376 11.505 ( -1.894 -0.496 9.890) 10.082 12.006 ( 0.266 25.011 13.835) 28.584 12.500 ( 4.279 5.278 3.176) 7.500 12.642 ( 10.773 8.580 1.491) 13.852 12.838 ( 1.725 0.536 9.310) 9.483 12.943 ( -4.087 -0.386 4.546) 6.125 13.125 ( 4.304 0.306 -7.615) 8.752 13.577 ( 0.624 1.909 -5.759) 6.099 14.169 ( 0.312 -12.540 -2.169) 12.730 14.414 ( 3.265 -3.922 0.823) 5.169 14.575 ( 8.001 -9.086 11.086) 16.416 14.922 ( 2.036 3.262 10.566) 11.244 15.077 ( 6.086 7.600 9.667) 13.720 15.214 ( -0.367 2.204 5.938) 6.345 15.276 ( -0.408 -5.466 11.262) 12.525 15.652 ( 3.030 3.930 -9.776) 10.964 15.849 ( -12.064 -2.235 -4.924) 13.220 16.131 ( -0.455 3.031 8.495) 9.031 16.608 ( 1.800 -6.927 1.046) 7.233 16.935 ( -11.537 9.971 -6.646) 16.634 17.193 ( -12.654 -1.855 -15.651) 20.212 17.526 ( -19.769 4.072 -48.715) 52.731 18.008 ( -11.073 -4.405 -68.977) 69.999 20.903 ( 3.360 1.074 4.558) 5.763 21.100 ( 4.383 3.670 -0.584) 5.747 21.345 ( -1.770 -2.525 1.433) 3.400 21.375 ( 4.328 -4.632 6.591) 9.145 21.980 ( -0.986 -1.531 -8.464) 8.658 22.140 ( -7.572 -5.648 3.043) 9.925 22.374 ( 2.552 -0.119 -0.160) 2.560 22.447 ( 4.297 2.623 -5.108) 7.172 22.923 ( -0.996 5.780 -1.303) 6.008 23.043 ( 1.098 3.040 -1.667) 3.637 23.723 ( 0.856 0.311 0.204) 0.934 23.804 ( 2.630 2.792 -0.430) 3.859 24.048 ( -2.285 1.355 6.202) 6.747 24.637 ( 11.134 -9.941 15.131) 21.254 26.033 ( -6.443 4.012 3.532) 8.371 26.851 ( 4.434 -11.944 -0.804) 12.766 27.328 ( 0.195 6.696 3.769) 7.686 27.601 ( 0.579 1.775 1.205) 2.222 ======================= Grid point 79 (37/128) ======================= q-point: (-0.22 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -23.213 2.797 -9.534) 25.250 1.371 ( -27.198 13.168 -17.377) 34.858 1.510 ( -10.586 -1.202 -23.477) 25.781 1.838 ( -21.004 23.512 14.040) 34.512 2.132 ( -8.787 -8.105 -0.418) 11.961 2.449 ( -18.414 -6.211 8.227) 21.103 2.572 ( -5.396 -4.607 -0.696) 7.129 2.652 ( -10.783 -2.520 6.604) 12.893 2.847 ( -6.014 4.702 5.375) 9.336 3.152 ( -12.588 3.833 -12.007) 17.813 3.289 ( 12.339 -1.526 0.517) 12.444 3.541 ( 3.475 0.696 -2.556) 4.370 3.608 ( 3.338 2.810 0.267) 4.371 3.769 ( 19.914 -5.519 -4.397) 21.127 4.283 ( -5.321 2.539 3.907) 7.073 4.557 ( -9.100 -1.397 -21.832) 23.694 5.006 ( -6.334 -5.546 -8.632) 12.058 5.018 ( 0.690 -13.174 -3.019) 13.533 5.201 ( -4.670 -9.142 4.671) 11.278 5.297 ( -7.177 -3.770 -0.957) 8.163 5.458 ( 3.334 2.371 -3.930) 5.673 5.561 ( -11.799 -0.460 -0.945) 11.846 5.688 ( 5.453 -5.298 -5.816) 9.573 5.922 ( 2.700 1.764 -3.489) 4.751 6.307 ( 3.753 -7.399 -1.053) 8.363 6.347 ( 2.414 -4.992 -0.686) 5.587 6.435 ( -1.067 2.306 -1.032) 2.743 6.613 ( -15.775 -1.141 -11.069) 19.305 6.765 ( 5.693 9.259 -6.698) 12.767 6.900 ( -0.504 -8.658 1.638) 8.826 7.066 ( 3.210 -2.985 1.697) 4.701 7.185 ( 3.345 4.445 3.228) 6.431 7.327 ( -4.364 6.271 -5.081) 9.176 7.445 ( -6.980 -1.242 2.335) 7.464 7.543 ( -1.609 1.163 5.728) 6.062 7.681 ( 3.327 3.973 4.328) 6.752 7.793 ( -3.940 -2.307 4.322) 6.287 7.954 ( -4.122 -1.044 -4.503) 6.193 8.162 ( -1.916 2.433 4.637) 5.576 8.261 ( 3.095 1.510 -2.159) 4.064 8.523 ( 6.387 -1.071 0.535) 6.498 8.646 ( 4.786 5.288 -3.169) 7.805 8.761 ( 1.951 5.247 2.320) 6.060 8.883 ( -8.827 -0.255 5.951) 10.648 9.171 ( 9.249 -3.290 -7.667) 12.456 9.304 ( 6.867 -0.971 -7.935) 10.539 9.764 ( 2.255 -3.695 -10.245) 11.122 9.783 ( 1.296 -12.062 2.285) 12.344 9.947 ( 3.565 -7.121 -1.718) 8.147 10.179 ( 11.490 4.618 -6.115) 13.810 10.301 ( 3.050 -2.392 -6.814) 7.840 10.319 ( -5.894 -21.029 11.451) 24.659 10.513 ( -8.883 4.257 5.305) 11.188 11.219 ( 5.811 -0.329 -0.362) 5.832 11.354 ( -6.424 -4.700 6.851) 10.502 11.514 ( -4.055 -3.913 2.785) 6.286 12.386 ( 18.421 35.827 28.761) 49.498 12.576 ( 5.143 19.099 9.221) 21.824 12.819 ( 6.520 5.711 -0.767) 8.701 12.937 ( 1.520 1.875 5.943) 6.415 12.958 ( 2.898 1.577 4.649) 5.701 13.193 ( 7.514 -1.927 0.125) 7.758 13.469 ( -3.753 2.348 -13.564) 14.268 14.133 ( 1.978 -12.090 -7.154) 14.187 14.516 ( 5.773 -6.780 1.696) 9.065 14.721 ( 2.599 -9.700 2.119) 10.263 15.034 ( 1.513 4.484 5.465) 7.229 15.196 ( -6.182 4.113 0.323) 7.432 15.356 ( 7.160 3.882 8.505) 11.775 15.400 ( 5.749 -4.903 12.060) 14.231 15.637 ( -1.762 -2.206 1.651) 3.271 15.703 ( 2.695 4.973 4.707) 7.358 16.181 ( -3.252 2.828 7.573) 8.713 16.493 ( -9.464 -6.656 -13.624) 17.874 16.615 ( -14.989 0.499 -15.594) 21.635 16.832 ( -15.852 2.255 -44.507) 47.299 16.891 ( -6.964 -1.485 -2.718) 7.621 17.233 ( -15.753 1.888 -41.698) 44.614 20.973 ( 1.726 -2.097 0.278) 2.730 21.091 ( -5.119 -5.546 -1.502) 7.695 21.342 ( 2.000 -0.899 -1.137) 2.470 21.480 ( 1.680 -3.133 3.850) 5.241 21.865 ( -2.853 2.575 -8.177) 9.035 22.055 ( -5.043 -4.301 1.524) 6.801 22.405 ( 0.239 -2.150 1.826) 2.831 22.465 ( 3.876 3.224 -5.917) 7.773 22.877 ( -1.460 4.966 -3.092) 6.030 23.035 ( 0.125 2.290 -2.420) 3.334 23.749 ( 1.620 0.477 0.734) 1.841 23.851 ( 3.547 2.739 -0.988) 4.589 24.076 ( 0.028 5.231 4.094) 6.642 24.986 ( 13.827 -13.058 11.747) 22.354 26.036 ( -0.826 7.226 13.513) 15.345 26.932 ( 5.934 -10.215 -1.340) 11.890 27.347 ( -2.319 4.817 3.913) 6.625 27.604 ( -0.666 2.550 -0.148) 2.639 ======================= Grid point 80 (38/128) ======================= q-point: (-0.11 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -3.329 8.688 23.750) 25.508 0.994 ( -15.960 21.814 15.395) 31.105 1.389 ( 4.312 -3.158 12.692) 13.772 1.630 ( -20.257 37.877 21.153) 47.879 2.003 ( -5.060 -5.090 3.191) 7.854 2.149 ( -18.639 -1.297 2.028) 18.794 2.464 ( -8.925 0.334 1.619) 9.076 2.572 ( -3.958 -1.143 6.274) 7.506 2.796 ( -5.779 1.363 4.180) 7.261 2.874 ( -6.625 5.343 5.924) 10.370 3.430 ( 3.767 -8.317 -0.606) 9.151 3.600 ( 6.687 0.207 -2.129) 7.021 3.706 ( 6.511 6.324 0.687) 9.103 4.029 ( 15.537 -3.953 -6.989) 17.490 4.263 ( 2.090 1.949 7.264) 7.806 4.342 ( 0.108 7.269 8.118) 10.897 4.759 ( -8.601 -7.849 1.580) 11.751 5.072 ( -0.172 -8.800 -1.119) 8.873 5.139 ( -6.034 -1.876 -3.048) 7.016 5.239 ( 0.464 -3.845 6.714) 7.751 5.359 ( -9.088 -0.276 3.862) 9.878 5.545 ( 6.139 -8.110 -1.062) 10.226 5.733 ( 4.079 -1.875 -3.089) 5.450 5.978 ( 2.317 1.043 1.792) 3.109 6.170 ( -12.395 -6.736 -8.897) 16.679 6.355 ( 0.929 -0.378 -2.090) 2.318 6.410 ( 8.218 -6.541 -0.370) 10.510 6.526 ( 6.510 -10.119 -0.307) 12.036 6.873 ( -0.362 -5.847 0.888) 5.925 6.931 ( 6.523 5.416 2.030) 8.718 7.025 ( -6.344 -1.348 1.624) 6.686 7.116 ( -10.216 -0.397 -0.246) 10.227 7.222 ( -3.685 10.592 -0.609) 11.231 7.456 ( 1.201 2.311 4.555) 5.247 7.568 ( -0.850 0.674 3.607) 3.766 7.689 ( -7.856 -4.967 2.580) 9.646 7.745 ( -3.692 -0.384 4.644) 5.945 7.936 ( 6.711 5.764 -2.612) 9.224 8.233 ( 5.274 2.961 1.540) 6.242 8.320 ( 5.133 3.520 -2.888) 6.861 8.517 ( 0.225 3.724 -8.293) 9.094 8.679 ( -3.905 2.238 -0.541) 4.533 8.755 ( -4.150 0.189 4.620) 6.213 8.887 ( -1.510 3.274 8.419) 9.158 9.273 ( 8.248 -5.080 -3.198) 10.201 9.389 ( 10.019 -0.886 -3.394) 10.616 9.703 ( -0.602 -6.849 -6.704) 9.603 9.834 ( -1.049 -11.542 6.655) 13.364 9.977 ( 0.423 -14.732 0.612) 14.751 10.233 ( -6.253 -11.993 6.165) 14.864 10.308 ( 7.088 -1.240 -8.094) 10.830 10.376 ( 7.102 0.629 -3.647) 8.008 10.444 ( -4.558 9.067 7.868) 12.841 11.240 ( -12.201 -5.306 8.387) 15.727 11.347 ( 7.638 -5.063 -3.039) 9.654 11.439 ( -5.873 -4.147 0.047) 7.190 12.524 ( -1.149 7.770 1.681) 8.033 12.828 ( -0.283 2.642 -0.876) 2.797 12.912 ( -1.041 2.006 -1.083) 2.505 13.047 ( -4.508 21.957 -36.684) 42.990 13.084 ( 1.311 8.107 -11.405) 14.054 13.342 ( 9.890 -3.837 0.748) 10.634 13.652 ( 42.349 25.534 44.750) 66.693 14.117 ( 3.751 -13.401 -7.687) 15.897 14.607 ( 5.433 -8.699 -3.114) 10.719 14.732 ( 0.860 -4.076 -5.870) 7.198 15.002 ( -7.066 1.520 -8.492) 11.151 15.067 ( -1.977 2.917 -2.915) 4.573 15.314 ( -16.344 -3.680 -14.834) 22.377 15.465 ( -9.480 2.399 -11.903) 15.405 15.608 ( -0.839 1.201 2.345) 2.765 15.899 ( 3.528 4.190 0.654) 5.517 15.995 ( 0.607 -0.202 0.015) 0.640 16.160 ( -4.827 2.105 4.535) 6.949 16.313 ( -11.800 -2.264 1.203) 12.075 16.706 ( -7.169 8.291 -0.394) 10.968 16.902 ( 16.288 -6.004 31.589) 36.044 16.992 ( 15.906 -5.831 36.116) 39.892 20.827 ( -18.577 -13.344 -2.546) 23.014 21.014 ( -1.056 -4.870 -0.316) 4.993 21.388 ( 3.960 2.545 -1.397) 4.910 21.503 ( -0.250 1.003 0.128) 1.042 21.761 ( -1.107 8.266 -7.152) 10.986 21.993 ( -3.657 -3.191 0.773) 4.915 22.411 ( -1.566 -1.905 1.384) 2.828 22.471 ( 3.082 2.626 -5.333) 6.696 22.835 ( -0.092 4.473 -2.448) 5.100 23.010 ( 0.130 1.123 -2.745) 2.969 23.793 ( 1.504 0.373 3.100) 3.466 23.896 ( 2.747 -0.661 -1.104) 3.033 24.119 ( 2.184 9.194 0.642) 9.472 25.222 ( 6.722 -14.223 -2.465) 15.923 26.255 ( 7.028 2.614 13.088) 15.084 27.012 ( 5.477 -7.673 -2.986) 9.889 27.318 ( -5.017 2.532 3.405) 6.570 27.567 ( -3.444 0.505 -2.149) 4.091 ======================= Grid point 81 (39/128) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 10.778 13.595 28.689) 33.527 1.222 ( -14.308 14.521 19.853) 28.456 1.603 ( 7.679 -8.137 20.795) 23.614 1.766 ( -3.310 -16.566 12.594) 21.071 2.141 ( 7.057 3.857 6.100) 10.094 2.395 ( 3.387 -0.581 4.105) 5.353 2.491 ( -1.991 6.380 0.723) 6.722 2.635 ( -4.394 40.967 14.293) 43.610 2.754 ( -5.965 -0.257 5.347) 8.015 3.088 ( 6.839 3.350 8.077) 11.101 3.263 ( 1.934 -9.493 3.690) 10.367 3.690 ( 3.869 -1.795 -3.245) 5.359 3.847 ( -2.152 1.711 -1.618) 3.190 4.060 ( 1.968 -4.665 -3.044) 5.908 4.369 ( 0.885 3.430 5.733) 6.739 4.522 ( -0.883 -7.904 5.781) 9.832 4.824 ( 1.476 -4.171 2.536) 5.100 4.943 ( 6.546 -6.322 3.305) 9.682 5.043 ( 9.561 -5.151 17.113) 20.269 5.240 ( 6.689 -10.300 7.755) 14.525 5.344 ( -1.161 5.020 6.947) 8.649 5.575 ( -0.847 0.065 3.943) 4.033 5.740 ( 5.613 1.054 -1.650) 5.945 5.966 ( 5.979 -5.816 0.194) 8.343 6.028 ( 5.991 1.448 -0.017) 6.164 6.300 ( 7.050 -5.858 -3.563) 9.834 6.341 ( 13.462 -11.343 -2.608) 17.796 6.618 ( 3.520 -2.994 -1.020) 4.732 6.670 ( -4.296 -7.575 5.647) 10.380 6.759 ( -14.085 -7.159 8.357) 17.874 6.977 ( -4.744 4.564 -0.094) 6.583 7.057 ( -2.960 -0.403 -1.980) 3.584 7.370 ( -2.197 3.256 0.849) 4.019 7.462 ( -8.659 -0.579 5.068) 10.050 7.529 ( -5.669 5.835 -0.443) 8.148 7.716 ( -2.789 -0.296 2.488) 3.749 7.772 ( 4.470 5.971 6.229) 9.718 8.063 ( 2.859 -4.039 1.603) 5.201 8.313 ( -2.770 1.310 -3.401) 4.578 8.425 ( -4.476 -4.129 3.579) 7.063 8.459 ( 4.769 6.923 -7.527) 11.284 8.633 ( -2.592 -0.198 -5.199) 5.813 8.852 ( 3.417 13.062 1.129) 13.549 9.003 ( -1.956 5.335 3.179) 6.511 9.231 ( -0.208 -2.551 5.083) 5.691 9.468 ( 4.136 -7.696 5.405) 10.274 9.484 ( -2.013 -5.406 0.529) 5.793 9.583 ( -0.927 -10.316 5.111) 11.550 9.996 ( 7.668 7.241 -1.096) 10.603 10.247 ( 11.479 -4.936 -1.888) 12.637 10.432 ( 5.016 3.355 -4.407) 7.473 10.498 ( 10.278 2.350 -6.333) 12.299 10.696 ( -0.589 10.279 4.892) 11.399 10.941 ( -13.950 -5.629 2.285) 15.216 11.248 ( -7.432 -4.570 4.751) 9.934 11.317 ( 4.033 -6.822 -1.841) 8.136 12.600 ( -8.440 11.025 -12.926) 18.970 12.726 ( -7.190 5.371 -8.904) 12.642 12.883 ( -0.675 5.625 0.427) 5.681 13.051 ( -0.267 10.075 -7.273) 12.429 13.280 ( -1.828 5.898 -5.178) 8.058 13.411 ( -0.205 4.048 -1.359) 4.275 13.826 ( 0.453 -12.509 -6.409) 14.062 14.112 ( -15.136 -4.922 -1.224) 15.964 14.423 ( -0.329 -6.123 -4.057) 7.352 14.581 ( -5.958 -3.348 -7.771) 10.349 14.788 ( 2.586 -3.887 -9.525) 10.608 14.810 ( 6.899 -5.969 -8.876) 12.728 15.162 ( -5.344 6.680 -8.205) 11.853 15.379 ( -10.970 -4.386 -9.246) 15.002 15.730 ( -7.105 8.421 -4.863) 12.044 15.941 ( -3.603 -2.146 0.321) 4.206 16.038 ( 15.051 9.942 4.032) 18.483 16.358 ( 17.279 -6.455 10.548) 21.248 16.496 ( 1.571 11.755 9.926) 15.466 16.716 ( -1.983 -1.895 5.952) 6.554 17.331 ( 19.108 4.469 44.842) 48.947 17.841 ( 36.970 -32.756 72.884) 88.044 20.603 ( -0.356 5.608 -0.682) 5.661 20.857 ( -0.729 -7.018 -3.449) 7.853 21.463 ( -2.257 2.383 1.419) 3.575 21.515 ( -2.031 -0.073 -0.309) 2.056 21.805 ( 1.910 2.733 -6.387) 7.205 21.893 ( -0.795 -2.774 -2.097) 3.567 22.405 ( -0.636 2.376 -0.967) 2.643 22.485 ( -0.183 -0.292 -2.628) 2.651 22.928 ( 1.915 4.525 -0.945) 5.003 23.010 ( 1.527 -0.029 -1.757) 2.328 23.869 ( 0.864 1.108 4.115) 4.348 23.897 ( 1.312 -0.792 1.452) 2.111 24.336 ( -0.221 11.829 -3.121) 12.235 24.869 ( -5.851 -15.165 -7.924) 18.084 26.492 ( -1.854 13.073 -1.153) 13.254 26.915 ( 3.448 -9.016 -4.157) 10.510 27.262 ( -6.167 1.335 1.149) 6.413 27.392 ( -4.464 -4.880 -1.537) 6.790 ======================= Grid point 82 (40/128) ======================= q-point: ( 0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 1.532 12.984 15.292) 20.119 1.434 ( 2.359 15.424 8.190) 17.622 1.720 ( 1.502 -7.347 9.180) 11.853 2.002 ( 9.431 -5.363 5.525) 12.175 2.342 ( -1.387 1.645 8.788) 9.047 2.461 ( 3.557 -7.430 12.164) 14.691 2.566 ( 2.051 1.380 6.256) 6.726 2.777 ( 1.543 -2.338 21.503) 21.685 2.881 ( 12.163 26.285 14.517) 32.397 3.202 ( 2.814 0.663 -2.296) 3.692 3.312 ( 1.704 -2.284 1.091) 3.051 3.702 ( -9.192 -1.628 -3.975) 10.146 3.764 ( 3.459 0.092 6.770) 7.603 3.955 ( -9.618 -2.986 0.483) 10.083 4.437 ( -1.183 3.114 6.411) 7.225 4.610 ( 4.718 -6.400 1.284) 8.054 4.719 ( -7.909 -5.393 -3.668) 10.251 4.962 ( 0.008 -11.594 -0.416) 11.602 5.361 ( 3.474 4.277 5.752) 7.965 5.419 ( 7.880 -4.514 8.057) 12.141 5.523 ( 8.225 -6.787 7.776) 13.198 5.623 ( 3.902 0.843 4.560) 6.060 5.902 ( 13.848 6.771 0.568) 15.425 6.037 ( 0.511 3.843 1.333) 4.099 6.218 ( 8.091 -5.153 3.113) 10.085 6.425 ( 8.367 -8.063 1.864) 11.769 6.472 ( 2.886 -3.414 0.072) 4.471 6.608 ( -5.326 -8.309 7.329) 12.293 6.691 ( 5.501 -5.008 -3.786) 8.347 6.764 ( 3.876 -13.283 6.266) 15.190 6.966 ( 6.865 2.161 -2.096) 7.496 6.979 ( -1.152 -0.525 -5.321) 5.470 7.313 ( -5.115 1.206 -2.161) 5.682 7.398 ( -1.685 -2.677 1.017) 3.322 7.403 ( -7.990 5.498 1.903) 9.884 7.635 ( -8.003 -2.720 -0.420) 8.463 7.855 ( -1.514 3.976 3.760) 5.678 8.070 ( -2.370 4.728 -3.466) 6.324 8.240 ( -1.137 -4.420 -0.284) 4.573 8.363 ( -3.238 -1.771 5.100) 6.295 8.504 ( 0.416 2.087 -0.998) 2.350 8.581 ( 4.376 3.694 -3.375) 6.647 8.948 ( 4.685 12.043 2.886) 13.240 8.988 ( -3.525 8.499 4.819) 10.386 9.293 ( 1.253 0.931 6.952) 7.125 9.438 ( -5.214 -4.228 5.685) 8.797 9.562 ( -0.194 -7.905 7.314) 10.772 9.663 ( 5.508 -11.757 2.043) 13.143 10.149 ( 9.400 9.565 0.582) 13.423 10.360 ( -1.833 4.220 -6.931) 8.320 10.433 ( 0.281 -5.108 5.836) 7.761 10.612 ( 9.218 6.965 -9.653) 15.056 10.667 ( -7.909 -6.773 4.514) 11.349 10.819 ( 0.954 0.903 1.971) 2.369 11.197 ( -4.459 -1.713 5.840) 7.545 11.314 ( -0.257 -2.168 -7.882) 8.179 12.267 ( -9.133 20.552 -13.416) 26.188 12.604 ( -2.940 1.405 -4.840) 5.835 12.810 ( -5.543 7.826 -8.128) 12.572 13.005 ( -4.964 11.213 -0.268) 12.265 13.098 ( -8.679 1.941 -5.273) 10.339 13.371 ( -4.440 -7.671 6.976) 11.279 13.729 ( -3.516 -7.487 -7.910) 11.445 13.930 ( -7.014 -9.040 0.846) 11.473 14.384 ( -0.653 -3.862 -1.088) 4.065 14.452 ( -2.039 -2.394 -3.635) 4.807 14.767 ( 3.438 -1.388 -13.057) 13.573 14.867 ( 5.749 -5.183 -11.962) 14.248 14.972 ( -3.956 4.066 -7.292) 9.239 15.129 ( -6.559 -4.424 -5.322) 9.535 15.637 ( 2.604 10.701 -2.733) 11.347 15.902 ( 0.399 -2.508 -1.830) 3.130 16.190 ( -2.080 9.795 4.226) 10.868 16.539 ( -1.249 -8.457 -0.034) 8.549 16.749 ( 16.394 10.680 7.490) 20.950 16.931 ( 15.858 -0.389 10.185) 18.851 18.220 ( 25.237 8.659 60.353) 65.987 18.983 ( 19.460 -37.751 61.684) 74.891 20.711 ( 12.148 1.022 -3.990) 12.827 20.822 ( 2.835 -3.759 -5.263) 7.062 21.380 ( -8.715 1.042 -4.192) 9.727 21.414 ( -6.850 -0.072 -0.823) 6.900 21.822 ( 8.108 0.640 -7.643) 11.161 21.874 ( 0.710 -2.175 -1.254) 2.609 22.378 ( -0.166 2.344 -3.106) 3.895 22.452 ( -0.943 -0.895 -2.406) 2.735 22.968 ( 2.985 4.090 -0.117) 5.064 23.033 ( 2.719 0.088 -2.033) 3.397 23.907 ( 0.365 1.440 2.442) 2.858 23.948 ( -0.104 -0.340 5.866) 5.877 24.253 ( -5.784 8.242 -3.253) 10.581 24.587 ( -16.335 -8.028 -9.609) 20.582 26.384 ( -9.154 14.274 4.733) 17.605 26.852 ( -6.778 -10.130 -1.561) 12.288 27.230 ( 2.908 2.048 -2.959) 4.627 27.376 ( 4.368 -5.052 -4.613) 8.117 ======================= Grid point 83 (41/128) ======================= q-point: ( 0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -2.929 22.173 6.158) 23.198 1.552 ( 12.620 1.127 2.538) 12.922 1.824 ( 4.189 -4.304 3.675) 7.041 2.179 ( 8.547 -5.490 1.427) 10.258 2.358 ( -4.122 -0.473 3.148) 5.208 2.440 ( -8.953 -2.532 1.911) 9.499 2.646 ( 2.857 0.825 0.756) 3.069 3.116 ( 3.503 -0.553 14.518) 14.945 3.133 ( 0.682 -12.354 5.791) 13.661 3.248 ( 4.999 4.052 11.293) 12.998 3.383 ( 6.883 3.446 1.547) 7.852 3.555 ( -2.790 -1.395 2.690) 4.119 3.876 ( -2.830 1.329 10.405) 10.864 3.912 ( 2.822 -0.239 10.664) 11.034 4.384 ( -4.080 -4.058 -11.641) 12.986 4.536 ( -8.797 -3.296 -0.627) 9.415 4.647 ( -0.666 0.164 -2.006) 2.120 5.001 ( 2.504 -10.956 5.931) 12.708 5.477 ( 3.375 4.525 6.607) 8.690 5.527 ( 2.692 -1.825 -1.208) 3.469 5.662 ( 5.937 2.770 0.062) 6.552 5.783 ( 6.524 0.797 5.580) 8.621 6.018 ( -2.418 6.393 3.781) 7.811 6.189 ( 13.514 5.441 2.855) 14.845 6.213 ( -6.504 -4.402 3.314) 8.524 6.469 ( -9.468 0.046 8.608) 12.796 6.503 ( 4.257 -2.513 -4.812) 6.898 6.697 ( 0.231 -4.332 -2.129) 4.833 6.757 ( 12.505 -11.676 -1.174) 17.148 6.883 ( 5.261 -8.539 0.530) 10.043 6.945 ( 2.826 2.876 -3.052) 5.057 7.149 ( -11.220 6.362 0.439) 12.905 7.154 ( 13.206 -8.057 -3.981) 15.974 7.311 ( -2.146 -0.111 -2.268) 3.124 7.405 ( -0.079 -1.675 -2.780) 3.247 7.527 ( 0.167 -8.033 2.294) 8.356 7.816 ( -5.107 7.954 0.263) 9.456 7.989 ( 0.611 7.475 -5.512) 9.307 8.256 ( -0.424 -9.388 1.546) 9.524 8.299 ( -5.149 -6.127 -0.846) 8.048 8.576 ( 3.875 6.639 6.340) 9.965 8.686 ( 10.158 2.912 -1.984) 10.752 8.975 ( -1.986 11.673 4.375) 12.623 9.072 ( 4.264 8.461 6.689) 11.598 9.356 ( -2.716 3.672 5.393) 7.067 9.450 ( -0.764 -2.568 10.254) 10.598 9.625 ( -0.834 -7.902 9.869) 12.670 9.747 ( 3.192 -11.209 -3.456) 12.156 10.128 ( -11.391 1.148 -2.821) 11.791 10.271 ( -17.474 -4.930 3.552) 18.501 10.376 ( 8.280 10.468 -2.368) 13.555 10.629 ( 7.061 1.518 -12.807) 14.703 10.714 ( 4.599 -5.124 -4.885) 8.442 10.893 ( 1.799 -1.331 8.410) 8.703 11.158 ( -7.552 5.147 -0.098) 9.140 11.196 ( -1.366 -0.411 -4.417) 4.641 12.130 ( -1.075 14.669 1.111) 14.751 12.514 ( -2.815 -0.496 -5.256) 5.983 12.605 ( -7.206 4.015 -7.985) 11.481 12.738 ( -14.266 -2.180 -5.085) 15.301 13.099 ( -0.278 8.375 8.709) 12.086 13.410 ( -0.295 -8.082 7.569) 11.077 13.577 ( -5.918 -4.333 -8.104) 10.930 13.778 ( -7.812 -10.421 -6.311) 14.472 14.366 ( 0.645 3.592 -11.526) 12.090 14.427 ( 2.032 1.282 3.110) 3.930 14.686 ( -1.951 -1.442 0.114) 2.429 14.807 ( 0.207 -5.597 -5.629) 7.941 14.955 ( 6.179 1.998 -6.319) 9.061 15.074 ( 1.087 -3.615 -1.784) 4.175 15.744 ( 10.621 6.415 -0.816) 12.435 15.916 ( 2.683 -0.998 -1.444) 3.206 16.138 ( -5.686 9.572 1.332) 11.213 16.465 ( -4.891 -7.809 -2.203) 9.474 17.082 ( 15.032 9.245 4.861) 18.305 17.252 ( 13.328 -0.004 3.608) 13.807 19.169 ( 22.168 7.393 55.068) 59.821 19.631 ( 5.546 -17.034 38.856) 42.787 20.665 ( -2.628 4.310 -16.837) 17.577 20.990 ( 10.863 -12.487 -6.013) 17.610 21.091 ( -11.225 8.568 -10.258) 17.454 21.316 ( -4.234 -2.458 -0.253) 4.902 21.899 ( 2.488 -1.445 0.795) 2.985 21.931 ( 10.470 -3.753 -3.619) 11.697 22.347 ( 1.107 1.784 -5.452) 5.842 22.410 ( -1.238 -1.447 -2.784) 3.373 23.010 ( 1.541 4.333 -0.244) 4.605 23.055 ( 2.392 0.598 -2.150) 3.272 23.916 ( -2.092 2.474 -0.671) 3.309 23.964 ( -5.922 -0.020 6.973) 9.148 24.110 ( -10.284 3.256 2.730) 11.128 24.243 ( -11.298 -5.259 -6.144) 13.895 26.325 ( -5.000 8.293 7.956) 12.533 26.715 ( -7.424 -11.126 -0.307) 13.379 27.272 ( 5.017 3.758 -3.547) 7.202 27.409 ( 4.472 -3.102 -5.549) 7.773 ======================= Grid point 84 (42/128) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -2.694 9.659 -0.901) 10.069 1.796 ( 10.915 -3.392 0.939) 11.469 1.929 ( 4.215 -3.551 3.460) 6.507 2.223 ( -10.508 -7.747 0.479) 13.063 2.308 ( -2.299 0.499 3.204) 3.975 2.376 ( 8.535 -4.741 -0.535) 9.778 2.685 ( 1.649 2.180 0.077) 2.734 3.052 ( -5.401 -2.295 1.672) 6.102 3.236 ( -2.949 -6.329 -0.805) 7.029 3.305 ( 0.334 -10.915 6.434) 12.674 3.504 ( 2.805 4.541 -0.102) 5.339 3.737 ( 9.613 -0.488 7.185) 12.011 3.922 ( -7.552 -2.520 -8.675) 11.774 4.029 ( 2.656 -2.981 13.831) 14.396 4.238 ( 0.180 -0.154 -3.940) 3.947 4.325 ( -8.067 -8.011 -4.910) 12.384 4.678 ( 4.339 9.507 1.942) 10.629 5.105 ( 2.661 -11.910 3.812) 12.785 5.542 ( 2.447 0.443 -1.797) 3.068 5.575 ( -1.226 5.371 5.329) 7.664 5.690 ( -4.186 8.038 2.888) 9.511 5.900 ( 3.582 -2.388 1.808) 4.669 6.007 ( -3.341 2.089 4.236) 5.786 6.142 ( -5.615 -1.345 4.438) 7.282 6.356 ( -3.914 2.376 -0.611) 4.620 6.409 ( 6.886 3.942 0.891) 7.985 6.494 ( -2.432 -4.025 -3.357) 5.778 6.663 ( -0.113 -2.296 0.311) 2.320 6.891 ( -3.294 -1.659 2.578) 4.499 6.932 ( 6.788 -3.442 -0.144) 7.612 6.970 ( -1.632 7.027 -1.000) 7.283 7.051 ( 1.147 9.385 3.256) 10.000 7.208 ( 4.279 -3.137 -5.798) 7.860 7.382 ( 3.186 1.318 -4.431) 5.614 7.411 ( 10.628 -8.931 -2.781) 14.158 7.628 ( 6.050 -4.650 -1.175) 7.721 7.744 ( -0.002 0.546 -0.129) 0.561 7.977 ( 2.292 2.611 -5.042) 6.123 8.190 ( -2.338 -7.548 -3.246) 8.542 8.261 ( -4.021 -6.002 2.666) 7.701 8.697 ( 5.996 4.608 1.112) 7.643 8.835 ( 7.245 -1.148 -3.197) 8.002 9.011 ( 2.446 11.041 4.335) 12.111 9.197 ( 3.646 4.022 3.246) 6.325 9.329 ( -4.495 5.776 4.260) 8.469 9.523 ( -3.245 -0.066 4.392) 5.462 9.660 ( -4.849 -3.824 -0.467) 6.193 9.726 ( -1.449 -6.327 4.389) 7.836 9.871 ( -11.332 -0.002 -3.483) 11.855 10.023 ( -15.530 -9.813 6.216) 19.394 10.455 ( 3.373 6.969 -7.843) 11.021 10.576 ( 5.163 -1.198 -19.107) 19.829 10.685 ( 2.669 4.732 -7.665) 9.395 11.021 ( -0.249 -6.471 2.894) 7.093 11.040 ( -1.732 3.404 4.739) 6.087 11.171 ( -3.010 -2.128 7.291) 8.169 12.192 ( 0.840 10.901 8.362) 13.764 12.388 ( -3.826 2.111 -6.480) 7.815 12.494 ( -3.525 2.898 0.692) 4.615 12.543 ( -5.711 -3.563 2.668) 7.241 13.197 ( 0.982 3.304 10.030) 10.606 13.372 ( -7.279 -4.472 -9.390) 12.695 13.420 ( -2.133 -2.452 -5.096) 6.044 13.675 ( -3.093 -10.754 9.495) 14.676 14.261 ( 2.868 7.152 -14.886) 16.762 14.492 ( 2.332 -2.182 -1.019) 3.352 14.688 ( -0.881 0.922 4.448) 4.627 14.833 ( 2.884 -4.588 5.108) 7.447 15.011 ( 5.273 0.936 -3.953) 6.656 15.090 ( 0.843 -1.738 1.515) 2.455 15.925 ( 8.318 3.008 -1.076) 8.911 15.960 ( 3.460 2.043 0.587) 4.061 16.062 ( -1.067 6.416 -0.797) 6.553 16.348 ( -5.926 -7.673 -3.203) 10.210 17.324 ( 9.913 7.590 1.429) 12.567 17.436 ( 7.199 1.748 -0.899) 7.463 19.831 ( 3.648 -0.147 12.942) 13.447 19.898 ( 1.180 -3.274 9.230) 9.864 20.401 ( -3.229 10.358 -14.970) 18.488 20.692 ( -10.144 0.788 -7.695) 12.756 21.189 ( 7.090 -2.133 -2.119) 7.701 21.283 ( 0.772 -2.059 0.091) 2.201 21.963 ( 2.685 -0.638 2.377) 3.642 22.087 ( 7.957 -6.392 2.092) 10.419 22.321 ( 3.017 1.286 -7.148) 7.865 22.364 ( 0.033 -1.172 -4.270) 4.428 23.006 ( -0.783 5.078 -0.906) 5.218 23.084 ( 2.198 1.297 -0.444) 2.591 23.791 ( -10.714 -0.927 2.077) 10.953 23.843 ( -10.287 -2.855 1.600) 10.795 24.028 ( -3.535 1.998 6.630) 7.775 24.158 ( -1.180 -3.341 1.875) 4.008 26.327 ( -3.016 3.272 5.036) 6.720 26.611 ( -4.236 -10.736 -0.831) 11.572 27.328 ( 4.295 4.507 -1.553) 6.416 27.428 ( 2.855 -0.846 -2.509) 3.894 ======================= Grid point 85 (43/128) ======================= q-point: (-0.56 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 5.457 -2.605 2.556) 6.565 1.858 ( -3.061 -18.211 -1.131) 18.501 2.004 ( -0.077 1.720 2.501) 3.036 2.125 ( -0.691 -3.151 4.391) 5.448 2.338 ( 2.257 1.903 2.580) 3.920 2.556 ( 11.402 -7.694 -0.909) 13.785 2.719 ( 1.035 2.582 3.113) 4.175 2.975 ( -6.405 -3.696 3.191) 8.054 3.190 ( -2.873 -2.781 0.906) 4.100 3.311 ( -1.647 -9.140 -4.942) 10.520 3.427 ( -8.071 0.550 -14.046) 16.209 3.596 ( -6.143 -4.449 -20.263) 21.636 3.837 ( -5.109 0.202 -3.260) 6.063 3.930 ( -4.352 -3.514 -8.463) 10.145 4.324 ( 5.803 0.053 10.410) 11.919 4.421 ( 4.000 -2.202 13.875) 14.607 4.801 ( 9.481 3.368 -1.593) 10.186 5.137 ( 2.382 -11.152 -5.010) 12.456 5.402 ( -19.814 6.526 2.088) 20.965 5.544 ( -2.456 1.380 -2.354) 3.671 5.714 ( -0.624 5.435 8.600) 10.192 5.856 ( -7.352 -1.485 -5.015) 9.023 6.042 ( -1.827 -3.125 0.378) 3.639 6.095 ( 3.650 -4.647 3.484) 6.859 6.331 ( -0.356 0.604 2.866) 2.950 6.409 ( -4.630 -0.292 1.757) 4.961 6.497 ( 5.291 6.952 -3.158) 9.289 6.693 ( -1.125 4.376 4.169) 6.148 6.864 ( -0.566 3.574 -0.088) 3.619 6.931 ( -2.613 5.325 0.761) 5.981 7.017 ( 4.653 0.330 -1.312) 4.846 7.060 ( -5.275 12.046 3.081) 13.506 7.304 ( 8.266 -6.291 -1.665) 10.520 7.400 ( 2.824 7.921 0.923) 8.460 7.562 ( 11.388 -10.422 -6.107) 16.601 7.668 ( 6.623 7.838 -5.195) 11.501 7.799 ( -1.791 -10.396 1.847) 10.709 7.980 ( 4.000 -3.904 -3.066) 6.376 8.143 ( 1.062 -5.003 -5.376) 7.421 8.201 ( -3.400 -4.256 0.757) 5.500 8.787 ( 4.688 -1.335 -1.859) 5.217 8.831 ( -1.000 -0.357 -5.635) 5.734 9.085 ( -0.616 1.750 -8.117) 8.326 9.129 ( -10.348 -1.084 -3.380) 10.939 9.235 ( -8.369 2.144 -5.891) 10.457 9.451 ( 3.259 6.581 0.228) 7.347 9.605 ( 1.797 2.761 -1.881) 3.793 9.677 ( -6.311 7.250 2.466) 9.924 9.719 ( -12.103 -8.012 3.861) 15.019 9.972 ( -1.889 -12.107 13.299) 18.083 10.365 ( 2.406 5.557 -15.709) 16.836 10.485 ( 4.854 -2.121 -19.662) 20.363 10.745 ( 7.774 5.737 -0.150) 9.662 10.907 ( -3.775 -2.270 -6.846) 8.141 11.163 ( -1.037 -2.842 14.397) 14.711 11.244 ( 0.949 -4.541 10.613) 11.583 12.214 ( -4.165 7.740 4.131) 9.712 12.331 ( 0.341 2.004 -1.282) 2.404 12.519 ( 2.659 5.415 9.273) 11.062 12.582 ( 0.305 1.768 11.535) 11.674 13.138 ( -6.816 -1.326 -6.448) 9.476 13.275 ( 0.478 -6.367 -8.725) 10.812 13.412 ( 1.947 4.836 11.057) 12.224 13.777 ( -0.302 -11.883 14.986) 19.128 14.208 ( 5.107 5.617 -10.815) 13.213 14.460 ( 0.302 -5.824 -9.152) 10.852 14.752 ( -0.368 4.979 10.642) 11.754 14.949 ( 3.269 -3.531 7.094) 8.572 15.048 ( 1.521 1.188 -0.124) 1.934 15.132 ( 1.316 -1.502 3.228) 3.796 15.900 ( -2.259 7.168 -5.060) 9.061 16.044 ( 4.364 5.385 1.269) 7.046 16.144 ( 0.845 -5.819 -1.287) 6.019 16.241 ( 0.768 -5.540 0.692) 5.635 17.421 ( 1.726 6.884 -3.228) 7.797 17.494 ( 2.363 2.824 -2.782) 4.615 19.430 ( -20.338 2.802 -48.116) 52.313 19.509 ( -16.120 -0.750 -44.591) 47.421 20.624 ( 9.327 4.483 18.686) 21.360 20.716 ( 6.114 2.464 14.242) 15.693 21.222 ( 1.690 0.387 -3.590) 3.987 21.324 ( 2.051 -1.987 0.126) 2.858 22.008 ( 0.317 -0.226 1.223) 1.284 22.181 ( -2.772 -7.685 5.612) 9.912 22.329 ( 5.147 2.434 -5.502) 7.917 22.368 ( 6.763 0.294 -6.340) 9.275 22.996 ( 0.178 5.804 0.958) 5.886 23.111 ( 0.714 2.269 0.536) 2.438 23.683 ( -6.081 -3.776 7.221) 10.167 23.737 ( -3.782 -3.653 1.306) 5.417 24.039 ( -2.893 1.639 6.447) 7.254 24.171 ( -0.830 -3.878 4.530) 6.021 26.287 ( -4.166 2.629 -0.519) 4.953 26.561 ( -0.902 -11.250 -0.875) 11.320 27.377 ( 2.491 5.435 -0.175) 5.981 27.481 ( 3.278 -0.420 2.425) 4.099 ======================= Grid point 86 (44/128) ======================= q-point: (-0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -0.856 0.625 6.112) 6.203 1.807 ( 5.220 -11.692 -3.082) 13.170 2.021 ( 0.387 -7.024 0.783) 7.078 2.160 ( -1.964 -7.417 2.710) 8.137 2.391 ( 0.245 3.136 1.929) 3.690 2.650 ( -2.766 -7.173 -3.785) 8.569 2.753 ( -1.852 0.383 -5.147) 5.483 2.873 ( -10.587 -3.501 -1.068) 11.201 3.029 ( -5.024 -3.608 -15.586) 16.769 3.061 ( -8.180 -4.140 -10.687) 14.080 3.241 ( 5.595 1.120 -7.953) 9.788 3.458 ( -0.840 -7.218 -0.469) 7.282 3.687 ( -5.886 6.743 -2.436) 9.276 3.830 ( -3.629 2.195 -6.146) 7.467 4.483 ( 3.279 -2.403 5.294) 6.675 4.589 ( 1.813 -4.092 10.366) 11.290 4.936 ( 4.524 0.483 -1.725) 4.866 5.065 ( -10.508 3.732 -6.416) 12.864 5.133 ( -0.036 -11.724 -2.899) 12.077 5.407 ( -7.686 -7.369 -4.635) 11.613 5.635 ( -8.564 5.229 -9.763) 14.000 5.775 ( -0.557 4.331 2.257) 4.915 5.968 ( -4.327 -3.888 -7.766) 9.703 6.135 ( -6.110 -8.829 3.753) 11.374 6.326 ( -3.038 2.521 1.693) 4.295 6.432 ( 0.908 -2.362 -0.737) 2.636 6.559 ( 6.656 12.191 1.560) 13.977 6.703 ( -0.165 8.099 4.563) 9.298 6.840 ( -0.469 3.720 -3.984) 5.471 6.930 ( -0.061 6.360 -0.768) 6.407 6.964 ( -3.202 5.216 3.815) 7.212 7.087 ( 2.353 0.082 0.879) 2.513 7.387 ( 1.050 -5.404 3.364) 6.452 7.466 ( 0.401 2.821 0.512) 2.895 7.610 ( -1.933 -7.624 -6.277) 10.063 7.702 ( -2.190 -0.638 -0.139) 2.285 7.811 ( 7.514 5.251 1.286) 9.256 8.042 ( 5.928 -1.017 -0.488) 6.035 8.144 ( 3.821 -3.110 -2.936) 5.735 8.186 ( 0.191 -5.579 0.179) 5.585 8.678 ( -15.175 -0.301 -10.763) 18.607 8.774 ( -2.333 4.261 -8.258) 9.581 8.848 ( 4.801 -5.709 -4.764) 8.851 8.935 ( -8.230 -6.069 -11.747) 15.575 9.152 ( -0.337 6.091 -0.218) 6.104 9.434 ( -11.662 0.048 -2.740) 11.980 9.605 ( 8.143 2.316 -3.022) 8.989 9.625 ( -4.330 -2.758 9.171) 10.510 9.733 ( 9.202 3.037 -5.979) 11.386 10.014 ( -3.679 -12.407 3.985) 13.540 10.292 ( 3.414 5.626 -11.646) 13.377 10.391 ( 3.625 -2.386 -16.128) 16.701 10.793 ( -1.386 3.073 -5.215) 6.209 10.926 ( 10.572 1.420 1.515) 10.774 11.258 ( -2.762 -2.518 12.959) 13.487 11.357 ( 0.321 -5.767 10.173) 11.698 12.224 ( 0.984 10.598 7.114) 12.802 12.381 ( 6.293 0.649 1.735) 6.560 12.676 ( 3.007 5.859 11.819) 13.530 12.728 ( 1.663 5.748 15.005) 16.154 13.002 ( -4.244 0.886 -2.434) 4.973 13.201 ( 0.572 -0.983 -7.603) 7.688 13.557 ( 2.735 1.379 7.786) 8.367 13.897 ( 0.023 -11.729 10.095) 15.475 14.247 ( 6.210 -1.136 -1.308) 6.447 14.373 ( -0.498 -4.795 -7.532) 8.943 14.856 ( 0.493 4.758 12.060) 12.974 15.059 ( 2.162 -4.596 6.670) 8.383 15.084 ( 1.778 3.617 3.832) 5.561 15.189 ( 0.916 -0.936 5.422) 5.578 15.813 ( -0.654 5.725 -8.659) 10.401 16.000 ( -7.869 -4.999 -6.306) 11.255 16.134 ( 2.454 5.340 4.860) 7.626 16.370 ( 5.648 -7.006 4.177) 9.921 17.335 ( -6.086 8.317 -5.965) 11.908 17.445 ( -4.295 1.626 -6.616) 8.054 18.523 ( -24.487 5.628 -60.281) 65.307 18.739 ( -17.346 -4.772 -59.758) 62.408 20.838 ( 4.483 4.386 8.523) 10.582 21.020 ( 10.235 0.375 12.443) 16.116 21.206 ( 0.312 -0.329 -3.677) 3.705 21.332 ( -0.804 -2.218 0.066) 2.360 22.001 ( -1.221 -0.435 -0.337) 1.340 22.128 ( -6.674 -6.095 3.131) 9.565 22.374 ( 4.420 2.973 -3.802) 6.545 22.434 ( 5.430 0.395 -3.754) 6.613 23.030 ( 1.513 6.065 1.863) 6.523 23.114 ( -0.939 3.216 0.631) 3.409 23.700 ( 0.176 -1.249 4.346) 4.526 23.745 ( 2.818 -2.755 2.477) 4.655 24.049 ( -2.603 1.643 6.745) 7.414 24.232 ( 1.742 -7.612 8.882) 11.827 26.203 ( -3.734 5.353 -1.665) 6.736 26.559 ( 1.751 -12.663 -0.867) 12.813 27.417 ( 1.342 6.158 1.830) 6.563 27.559 ( 2.496 -1.116 2.928) 4.006 ======================= Grid point 87 (45/128) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -12.087 14.921 -6.524) 20.281 1.873 ( -8.542 -3.258 -13.563) 16.356 1.986 ( -3.168 -8.804 -8.871) 12.893 2.082 ( 6.716 -13.052 -9.258) 17.355 2.193 ( -20.599 0.513 -6.933) 21.740 2.477 ( -7.582 2.783 -7.809) 11.235 2.498 ( -7.928 -6.269 6.218) 11.866 2.721 ( -7.700 -3.457 3.463) 9.124 2.954 ( -0.814 0.350 0.458) 0.998 3.115 ( 9.834 -1.705 3.166) 10.471 3.357 ( 10.429 -0.249 -1.208) 10.501 3.489 ( 2.352 -1.328 0.531) 2.752 3.555 ( -6.146 5.578 -4.785) 9.580 3.707 ( -3.317 3.745 -4.599) 6.795 4.473 ( -7.539 2.707 0.101) 8.011 4.663 ( -1.479 -6.801 3.690) 7.878 4.797 ( -6.755 0.810 -0.081) 6.804 5.025 ( -4.035 -9.603 2.254) 10.658 5.150 ( 6.341 -6.824 -7.059) 11.688 5.314 ( 7.167 -12.154 -17.170) 22.224 5.358 ( -8.516 2.167 -12.676) 15.424 5.659 ( -9.358 -8.474 -16.186) 20.527 5.797 ( -3.964 7.750 1.306) 8.802 6.075 ( -3.634 -5.035 -0.694) 6.248 6.249 ( -10.888 4.750 -1.939) 12.036 6.326 ( -3.706 2.628 0.648) 4.589 6.623 ( -2.428 2.005 -1.890) 3.673 6.793 ( -1.900 -1.692 -0.890) 2.696 6.835 ( 3.345 8.875 6.333) 11.405 6.951 ( 5.630 6.041 -0.432) 8.269 6.999 ( -3.815 2.597 -5.925) 7.510 7.072 ( 0.839 -3.659 3.728) 5.290 7.329 ( -5.822 -5.645 1.340) 8.219 7.434 ( -1.710 -5.509 4.517) 7.326 7.628 ( 3.585 0.540 2.328) 4.308 7.657 ( -5.216 0.261 0.754) 5.276 7.853 ( -3.152 7.508 5.710) 9.946 8.119 ( -4.260 0.169 -6.488) 7.763 8.160 ( 1.398 -1.550 1.541) 2.595 8.282 ( 12.468 -2.432 2.514) 12.950 8.380 ( -6.360 7.191 -5.113) 10.876 8.712 ( 2.964 -1.919 -9.909) 10.519 8.808 ( 1.280 2.735 -1.218) 3.256 8.887 ( 3.293 -4.508 -3.027) 6.350 9.138 ( -0.432 2.757 -1.606) 3.220 9.266 ( -4.029 -1.441 -3.228) 5.360 9.547 ( -6.402 -7.246 5.526) 11.136 9.759 ( 3.537 -6.487 -4.306) 8.552 9.809 ( 10.976 3.839 -12.927) 17.387 9.990 ( 3.264 -9.303 -0.696) 9.884 10.249 ( 0.880 3.274 -5.952) 6.850 10.313 ( 3.029 -2.230 -12.926) 13.462 10.744 ( -0.754 9.709 -2.326) 10.012 11.099 ( 9.187 -2.510 -2.442) 9.832 11.298 ( -5.508 -2.322 10.733) 12.286 11.423 ( -2.757 -6.151 8.370) 10.747 12.422 ( 12.145 14.950 13.066) 23.275 12.574 ( 12.575 2.834 4.143) 13.540 12.822 ( 2.184 4.589 9.942) 11.166 12.881 ( 1.979 6.087 11.390) 13.065 12.945 ( -2.066 2.722 1.409) 3.696 13.170 ( 1.094 3.269 -1.265) 3.672 13.609 ( -0.346 2.459 -1.317) 2.811 13.940 ( -1.157 -11.153 1.329) 11.292 14.323 ( 3.038 -4.761 -2.839) 6.321 14.392 ( 3.626 -9.149 8.318) 12.886 14.989 ( 2.676 3.732 10.495) 11.456 15.152 ( 2.372 -5.340 6.564) 8.787 15.202 ( 4.821 4.938 9.137) 11.451 15.276 ( 1.613 1.942 10.963) 11.250 15.713 ( -0.804 2.660 -11.529) 11.859 15.805 ( -7.771 -2.291 -5.163) 9.607 16.208 ( 0.565 4.948 5.068) 7.106 16.458 ( 1.585 -8.483 -0.020) 8.630 17.115 ( -12.910 7.789 -10.089) 18.142 17.196 ( -13.506 1.963 -14.072) 19.603 17.609 ( -20.323 5.221 -51.803) 55.892 17.892 ( -16.781 -7.774 -58.434) 61.290 20.942 ( 1.376 3.261 2.928) 4.593 21.144 ( -4.900 -2.951 -3.087) 6.500 21.246 ( 7.465 -1.011 3.507) 8.309 21.342 ( 1.774 -1.591 3.688) 4.391 21.964 ( -3.042 0.013 -0.175) 3.048 22.042 ( -5.088 -4.412 0.947) 6.800 22.400 ( 2.239 2.639 -2.600) 4.329 22.476 ( 3.149 0.191 -2.576) 4.073 23.041 ( -1.730 6.018 -0.120) 6.263 23.099 ( -1.120 2.558 0.167) 2.797 23.743 ( 2.497 1.740 -0.359) 3.065 23.825 ( 3.825 -0.808 -0.308) 3.921 24.098 ( 1.324 4.266 7.358) 8.608 24.415 ( 8.034 -12.472 13.117) 19.803 26.159 ( -0.386 9.317 0.994) 9.378 26.609 ( 4.997 -13.445 -0.476) 14.352 27.447 ( -0.580 5.937 2.767) 6.576 27.606 ( 0.354 -1.597 1.958) 2.551 ======================= Grid point 88 (46/128) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -16.085 13.431 -20.098) 29.035 1.392 ( -13.794 -6.205 -25.034) 29.249 1.692 ( -16.867 16.365 -2.102) 23.595 1.936 ( -10.997 -6.386 4.861) 13.614 2.181 ( -3.108 -3.113 6.743) 8.051 2.392 ( -6.327 7.594 4.885) 11.026 2.425 ( -2.075 -8.373 0.843) 8.668 2.662 ( -3.495 0.092 7.393) 8.178 2.962 ( -4.200 8.180 5.132) 10.530 3.209 ( -9.362 0.461 -7.912) 12.266 3.294 ( -2.665 5.482 -3.494) 7.026 3.515 ( 4.815 1.341 -1.745) 5.294 3.617 ( 13.726 -9.054 -4.298) 16.996 3.725 ( 8.412 2.851 0.247) 8.885 4.345 ( -5.317 4.338 -0.570) 6.886 4.561 ( -7.829 0.508 -0.818) 7.888 4.763 ( -0.436 -10.898 -4.546) 11.816 4.918 ( -8.662 -7.674 -5.918) 12.998 5.034 ( -3.587 -2.100 -2.622) 4.915 5.220 ( -1.591 -5.660 -3.347) 6.765 5.333 ( 2.190 -6.218 -8.146) 10.479 5.492 ( 9.195 -14.204 -11.315) 20.355 5.744 ( -3.374 9.928 -1.500) 10.592 5.957 ( -4.620 3.204 -4.294) 7.074 6.110 ( -3.034 -9.749 0.879) 10.248 6.281 ( -2.452 -0.252 -1.371) 2.820 6.407 ( -18.868 -4.541 -6.587) 20.494 6.703 ( -3.702 -11.165 0.802) 11.789 6.783 ( -8.241 13.992 -3.850) 16.689 6.939 ( 4.934 7.347 2.457) 9.185 7.033 ( 0.660 0.005 2.272) 2.365 7.217 ( -2.171 -1.982 3.543) 4.604 7.319 ( 2.895 -3.855 7.252) 8.708 7.432 ( -0.098 -2.243 0.179) 2.253 7.567 ( -5.890 1.795 5.534) 8.279 7.718 ( -1.037 -2.067 5.589) 6.049 7.840 ( -2.597 7.814 3.277) 8.862 7.958 ( -3.744 2.120 -6.405) 7.716 8.232 ( 3.668 1.954 3.907) 5.705 8.293 ( -0.536 3.321 -0.357) 3.383 8.506 ( 8.117 0.230 1.202) 8.208 8.713 ( 4.069 -0.954 -5.374) 6.808 8.874 ( 1.587 5.525 0.352) 5.759 8.891 ( 1.481 2.463 1.894) 3.442 9.137 ( 3.014 0.457 -1.972) 3.630 9.242 ( 3.235 -4.830 -1.908) 6.118 9.519 ( -2.089 -10.377 3.976) 11.307 9.659 ( -3.706 -10.509 -7.742) 13.569 9.879 ( 7.225 3.316 -8.227) 11.440 10.091 ( 6.075 -6.596 -2.578) 9.331 10.242 ( 6.356 1.725 -5.495) 8.578 10.280 ( 5.725 -1.339 -8.506) 10.341 10.712 ( -1.632 13.690 -0.521) 13.796 11.181 ( 5.512 -7.044 -5.890) 10.709 11.267 ( -8.610 -0.851 9.290) 12.694 11.414 ( -6.283 -6.020 6.615) 10.930 12.692 ( 3.872 11.087 4.220) 12.479 12.873 ( 2.530 5.340 4.823) 7.627 12.935 ( 1.193 -0.420 4.637) 4.806 12.979 ( 18.004 0.985 5.698) 18.910 13.059 ( 12.077 7.644 1.357) 14.357 13.274 ( 9.092 9.547 13.993) 19.225 13.535 ( -4.874 7.143 -1.957) 8.866 13.904 ( -1.161 -10.797 -3.248) 11.335 14.378 ( 4.113 -6.364 0.197) 7.579 14.523 ( 3.099 -11.184 7.112) 13.611 15.107 ( 3.686 4.273 3.196) 6.485 15.278 ( -6.424 4.273 3.910) 8.649 15.289 ( 5.659 -3.865 8.228) 10.708 15.514 ( 9.454 4.885 16.368) 19.523 15.544 ( -7.245 -3.429 -8.432) 11.634 15.738 ( 3.265 -1.190 0.974) 3.609 16.231 ( -1.707 1.843 0.106) 2.515 16.357 ( -7.670 -6.775 -16.765) 19.642 16.644 ( -17.038 4.516 -20.239) 26.838 16.852 ( -13.650 -2.058 -25.744) 29.212 16.971 ( -11.497 8.541 -8.681) 16.748 17.223 ( -16.144 -2.839 -25.758) 30.532 20.933 ( -4.520 -1.538 -2.112) 5.221 20.987 ( -8.909 -4.473 -0.868) 10.007 21.360 ( 5.803 2.233 -0.293) 6.225 21.443 ( 3.239 -1.643 4.839) 6.050 21.902 ( -3.632 1.505 -0.220) 3.938 21.980 ( -2.581 -3.445 -0.895) 4.397 22.409 ( 1.029 2.307 -1.102) 2.756 22.497 ( 2.042 -0.128 -2.242) 3.035 22.986 ( -2.882 5.815 -1.890) 6.760 23.069 ( -2.104 1.166 -0.943) 2.584 23.776 ( 2.128 2.185 -0.352) 3.070 23.860 ( 1.815 -1.246 -1.528) 2.680 24.214 ( 5.171 9.211 4.123) 11.339 24.700 ( 11.555 -16.181 9.297) 21.950 26.226 ( 5.827 12.252 4.034) 14.154 26.714 ( 7.853 -12.783 -1.083) 15.042 27.440 ( -3.805 5.003 3.194) 7.050 27.603 ( -2.858 -2.478 1.587) 4.102 ======================= Grid point 89 (47/128) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -1.148 14.194 14.023) 19.986 1.226 ( 3.466 -5.174 12.087) 13.597 1.423 ( -22.271 12.895 15.125) 29.850 1.843 ( -9.150 -9.641 8.519) 15.787 2.104 ( -3.682 2.692 -3.803) 5.939 2.327 ( -0.270 17.178 -0.631) 17.191 2.447 ( 0.850 -0.329 4.478) 4.570 2.740 ( -6.717 23.368 13.679) 27.898 2.816 ( -8.824 2.192 1.759) 9.261 2.991 ( -9.143 6.520 2.534) 11.512 3.211 ( -0.183 -12.298 0.096) 12.300 3.644 ( 8.655 3.207 -6.019) 11.019 3.774 ( 7.720 -3.971 2.389) 9.004 3.931 ( 14.566 -4.033 -3.802) 15.585 4.319 ( 0.618 4.213 4.675) 6.324 4.517 ( 0.607 10.836 6.839) 12.828 4.598 ( -7.832 -9.684 2.623) 12.727 4.895 ( 3.276 -7.354 -1.559) 8.201 4.983 ( -3.289 -9.243 4.674) 10.867 5.151 ( -1.598 -10.945 -0.000) 11.061 5.333 ( -1.135 3.364 2.950) 4.616 5.556 ( 0.676 -2.054 1.544) 2.658 5.701 ( 4.437 4.544 -6.916) 9.389 5.934 ( 4.688 -4.139 -2.180) 6.623 6.034 ( -11.817 -7.358 -4.450) 14.615 6.156 ( 8.862 -15.568 -2.092) 18.036 6.269 ( 0.525 -0.128 -2.208) 2.273 6.626 ( -2.423 -1.849 -4.192) 5.183 6.695 ( -4.200 0.657 5.286) 6.783 6.949 ( -14.148 -2.847 8.494) 16.746 7.043 ( 0.457 2.285 0.052) 2.331 7.105 ( -5.096 -2.628 0.520) 5.757 7.407 ( -3.889 5.584 2.214) 7.156 7.506 ( 7.259 4.096 4.987) 9.713 7.545 ( -6.707 -0.880 8.607) 10.948 7.671 ( -2.520 1.391 -0.306) 2.895 7.798 ( -6.983 5.979 2.607) 9.555 7.967 ( 7.019 -2.290 -0.321) 7.390 8.320 ( 4.007 3.907 1.616) 5.825 8.339 ( 3.878 0.285 0.093) 3.890 8.553 ( 0.326 0.795 -6.169) 6.228 8.704 ( -0.291 -0.554 -4.354) 4.398 8.839 ( -2.837 8.804 1.717) 9.408 8.979 ( 2.028 4.526 3.066) 5.831 9.186 ( 2.537 -2.275 1.011) 3.555 9.329 ( 6.744 -5.491 1.831) 8.888 9.520 ( -2.010 -10.072 0.023) 10.271 9.574 ( -1.577 -10.647 1.821) 10.916 9.919 ( 4.827 4.341 -3.945) 7.597 10.129 ( 5.105 -4.706 -3.786) 7.908 10.332 ( 10.207 1.838 -7.086) 12.561 10.379 ( 11.304 -0.429 -5.682) 12.659 10.685 ( -2.097 14.297 2.364) 14.642 11.130 ( -9.994 -7.114 2.233) 12.469 11.255 ( 2.792 -3.781 0.596) 4.738 11.342 ( -8.361 -5.799 5.228) 11.439 12.710 ( -2.462 11.209 0.424) 11.484 12.882 ( -0.721 3.304 0.001) 3.382 12.917 ( -3.517 -0.601 -1.506) 3.873 13.165 ( -0.758 -7.146 -5.344) 8.955 13.253 ( 8.372 10.421 -2.924) 13.683 13.375 ( 6.765 9.895 -11.681) 16.737 13.853 ( 1.584 -12.136 -1.252) 12.303 13.954 ( 26.155 2.395 18.528) 32.142 14.436 ( 3.379 -5.226 -1.913) 6.510 14.622 ( 4.664 -7.452 -0.905) 8.838 15.035 ( -14.083 1.059 -10.834) 17.799 15.110 ( -18.250 -1.880 -13.890) 23.012 15.251 ( -4.196 3.095 -5.848) 7.835 15.471 ( 3.843 -2.855 4.914) 6.860 15.687 ( 3.639 5.888 -0.636) 6.951 15.877 ( 8.720 -3.613 5.066) 10.712 16.067 ( -5.526 4.285 -9.212) 11.566 16.139 ( -4.323 -1.584 0.004) 4.604 16.424 ( -3.284 9.944 9.342) 14.033 16.737 ( 1.980 -4.712 10.286) 11.486 16.878 ( 1.072 3.124 14.992) 15.352 16.925 ( -1.022 -1.877 14.571) 14.726 20.730 ( -11.771 0.693 -1.555) 11.893 20.908 ( -2.577 -6.259 -1.539) 6.942 21.442 ( 3.469 2.950 0.337) 4.566 21.511 ( 0.934 -0.287 2.225) 2.430 21.846 ( -1.633 2.425 -2.307) 3.725 21.932 ( -1.743 -3.065 -1.660) 3.897 22.414 ( 0.123 2.229 -0.184) 2.240 22.502 ( 0.987 -0.181 -2.462) 2.658 22.932 ( -0.868 5.278 -2.051) 5.729 23.024 ( -1.231 0.278 -1.675) 2.097 23.816 ( 1.715 1.698 2.076) 3.183 23.874 ( 1.239 -1.398 -0.526) 1.941 24.316 ( 4.160 12.184 -0.266) 12.877 24.904 ( 6.067 -18.231 -0.292) 19.216 26.404 ( 9.820 11.169 2.076) 15.016 26.837 ( 8.476 -10.700 -3.033) 13.983 27.372 ( -7.511 3.223 2.960) 8.693 27.524 ( -7.852 -4.121 0.431) 8.878 ======================= Grid point 90 (48/128) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 8.904 -12.689 24.490) 28.984 1.397 ( 8.904 12.689 24.490) 28.984 1.467 ( -6.634 -9.158 15.185) 18.933 1.467 ( -6.634 9.158 15.185) 18.933 2.258 ( 3.536 -8.268 -0.492) 9.006 2.258 ( 3.536 8.268 -0.492) 9.006 2.655 ( -5.826 -8.991 5.620) 12.098 2.655 ( -5.826 8.991 5.620) 12.098 3.135 ( 4.277 -4.682 6.014) 8.740 3.135 ( 4.277 4.682 6.014) 8.740 3.394 ( -0.004 -29.736 5.138) 30.177 3.394 ( -0.004 29.736 5.138) 30.177 3.945 ( 1.341 -7.622 -3.025) 8.309 3.945 ( 1.341 7.622 -3.025) 8.309 4.420 ( 0.212 -3.127 3.925) 5.023 4.420 ( 0.212 3.127 3.925) 5.023 4.832 ( -1.250 -4.697 0.980) 4.958 4.832 ( -1.250 4.697 0.980) 4.958 5.063 ( 10.585 -6.977 14.756) 19.453 5.063 ( 10.585 6.977 14.756) 19.453 5.473 ( -0.720 -7.958 4.341) 9.093 5.473 ( -0.720 7.958 4.341) 9.093 5.842 ( 4.986 -7.042 2.098) 8.880 5.842 ( 4.986 7.042 2.098) 8.880 6.115 ( 14.844 -8.633 -4.133) 17.662 6.115 ( 14.844 8.633 -4.133) 17.662 6.394 ( 4.265 -11.781 -1.840) 12.664 6.394 ( 4.265 11.781 -1.840) 12.664 6.683 ( -14.010 -2.341 8.441) 16.523 6.683 ( -14.010 2.341 8.441) 16.523 7.039 ( -2.200 -2.081 -1.402) 3.337 7.039 ( -2.200 2.081 -1.402) 3.337 7.420 ( -6.557 -2.969 3.536) 8.019 7.420 ( -6.557 2.969 3.536) 8.019 7.655 ( -3.236 -5.919 -1.084) 6.832 7.655 ( -3.236 5.919 -1.084) 6.832 7.931 ( 1.287 -9.220 5.461) 10.793 7.931 ( 1.287 9.220 5.461) 10.793 8.354 ( -2.200 -3.214 0.272) 3.905 8.354 ( -2.200 3.214 0.272) 3.905 8.582 ( 0.961 -5.531 -7.177) 9.112 8.582 ( 0.961 5.531 -7.177) 9.112 9.032 ( 1.612 -3.837 2.321) 4.765 9.032 ( 1.612 3.837 2.321) 4.765 9.289 ( 3.183 -8.581 3.021) 9.638 9.289 ( 3.183 8.581 3.021) 9.638 9.456 ( -1.829 -2.753 5.060) 6.044 9.456 ( -1.829 2.753 5.060) 6.044 10.134 ( 10.131 -7.039 -1.303) 12.405 10.134 ( 10.131 7.039 -1.303) 12.405 10.491 ( 9.059 -2.628 -6.371) 11.382 10.491 ( 9.059 2.628 -6.371) 11.382 10.854 ( -6.889 -5.740 -0.356) 8.974 10.854 ( -6.889 5.740 -0.356) 8.974 11.213 ( -3.005 -2.439 5.450) 6.685 11.213 ( -3.005 2.439 5.450) 6.685 12.733 ( -5.961 -3.524 -9.058) 11.402 12.733 ( -5.961 3.524 -9.058) 11.402 13.025 ( 1.453 -8.578 2.039) 8.936 13.025 ( 1.453 8.578 2.039) 8.936 13.431 ( -1.133 -9.769 -12.263) 15.720 13.431 ( -1.133 9.769 -12.263) 15.720 13.842 ( -5.750 -16.191 0.845) 17.203 13.842 ( -5.750 16.191 0.845) 17.203 14.480 ( -8.108 -6.695 -5.335) 11.791 14.480 ( -8.108 6.695 -5.335) 11.791 14.749 ( 5.285 -0.528 -9.246) 10.663 14.749 ( 5.285 0.528 -9.246) 10.663 15.282 ( -7.991 -5.878 -9.876) 13.998 15.282 ( -7.991 5.878 -9.876) 13.998 15.868 ( -4.642 -5.843 -1.656) 7.644 15.868 ( -4.642 5.843 -1.656) 7.644 16.216 ( 15.393 -8.766 6.191) 18.765 16.216 ( 15.393 8.766 6.191) 18.765 16.656 ( 0.020 -5.379 8.671) 10.204 16.656 ( 0.020 5.379 8.671) 10.204 17.463 ( 24.168 -11.323 54.837) 60.986 17.463 ( 24.168 11.323 54.837) 60.986 20.723 ( 0.159 -7.031 -2.311) 7.402 20.723 ( 0.159 7.031 -2.311) 7.402 21.500 ( -2.678 -1.461 0.734) 3.137 21.500 ( -2.678 1.461 0.734) 3.137 21.846 ( 0.492 -2.197 -3.990) 4.581 21.846 ( 0.492 2.197 -3.990) 4.581 22.455 ( -0.564 -2.571 -1.642) 3.102 22.455 ( -0.564 2.571 -1.642) 3.102 22.992 ( 1.427 -2.170 -1.380) 2.941 22.992 ( 1.427 2.170 -1.380) 2.941 23.886 ( 1.131 -0.656 2.891) 3.173 23.886 ( 1.131 0.656 2.891) 3.173 24.586 ( -2.282 -14.764 -4.862) 15.711 24.586 ( -2.282 14.764 -4.862) 15.711 26.722 ( 2.507 -11.545 -3.404) 12.295 26.722 ( 2.507 11.545 -3.404) 12.295 27.309 ( -5.915 -3.679 -0.028) 6.966 27.309 ( -5.915 3.679 -0.028) 6.966 ======================= Grid point 92 (49/128) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 2.232 -8.878 5.757) 10.814 1.441 ( 2.232 8.878 5.757) 10.814 1.845 ( 8.990 -12.620 13.874) 20.799 1.845 ( 8.990 12.620 13.874) 20.799 2.365 ( 2.607 -2.041 8.432) 9.059 2.365 ( 2.607 2.041 8.432) 9.059 2.644 ( -3.095 -7.591 12.424) 14.884 2.644 ( -3.095 7.591 12.424) 14.884 3.212 ( 0.709 -2.753 3.004) 4.136 3.212 ( 0.709 2.753 3.004) 4.136 3.468 ( 2.221 -19.967 1.706) 20.162 3.468 ( 2.221 19.967 1.706) 20.162 3.858 ( -6.319 -6.671 2.499) 9.522 3.858 ( -6.319 6.671 2.499) 9.522 4.484 ( 0.275 -5.453 2.536) 6.020 4.484 ( 0.275 5.453 2.536) 6.020 4.779 ( -2.488 -8.296 -0.007) 8.661 4.779 ( -2.488 8.296 -0.007) 8.661 5.363 ( 7.284 -1.453 10.392) 12.773 5.363 ( 7.284 1.453 10.392) 12.773 5.556 ( 7.334 -6.132 3.209) 10.084 5.556 ( 7.334 6.132 3.209) 10.084 6.038 ( 12.207 -6.468 1.668) 13.915 6.038 ( 12.207 6.468 1.668) 13.915 6.257 ( 5.407 -10.012 0.786) 11.406 6.257 ( 5.407 10.012 0.786) 11.406 6.494 ( -2.931 -7.520 8.564) 11.768 6.494 ( -2.931 7.520 8.564) 11.768 6.610 ( 6.181 -1.392 -0.419) 6.349 6.610 ( 6.181 1.392 -0.419) 6.349 6.990 ( 0.419 -0.445 -3.892) 3.939 6.990 ( 0.419 0.445 -3.892) 3.939 7.342 ( -4.358 -2.436 0.120) 4.994 7.342 ( -4.358 2.436 0.120) 4.994 7.536 ( -8.566 -7.171 -1.357) 11.254 7.536 ( -8.566 7.171 -1.357) 11.254 8.001 ( 0.389 -9.559 5.406) 10.988 8.001 ( 0.389 9.559 5.406) 10.988 8.272 ( -4.611 -6.335 -4.087) 8.838 8.272 ( -4.611 6.335 -4.087) 8.838 8.582 ( 3.810 -3.636 -0.901) 5.343 8.582 ( 3.810 3.636 -0.901) 5.343 9.082 ( -0.108 -0.540 5.745) 5.771 9.082 ( -0.108 0.540 5.745) 5.771 9.377 ( 1.787 -6.711 6.273) 9.358 9.377 ( 1.787 6.711 6.273) 9.358 9.477 ( 0.120 -4.792 3.800) 6.117 9.477 ( 0.120 4.792 3.800) 6.117 10.304 ( 6.521 -7.259 0.887) 9.798 10.304 ( 6.521 7.259 0.887) 9.798 10.490 ( -3.494 -8.266 -1.956) 9.185 10.490 ( -3.494 8.266 -1.956) 9.185 10.774 ( 2.330 -6.539 -5.582) 8.907 10.774 ( 2.330 6.539 -5.582) 8.907 11.227 ( -1.964 -4.813 4.444) 6.839 11.227 ( -1.964 4.813 4.444) 6.839 12.543 ( -4.665 -8.508 -11.494) 15.042 12.543 ( -4.665 8.508 -11.494) 15.042 12.983 ( -9.533 -10.131 -8.415) 16.258 12.983 ( -9.533 10.131 -8.415) 16.258 13.239 ( -5.444 -9.952 1.305) 11.419 13.239 ( -5.444 9.952 1.305) 11.419 13.732 ( -5.526 -8.746 -2.146) 10.566 13.732 ( -5.526 8.746 -2.146) 10.566 14.387 ( -1.193 -3.181 2.618) 4.289 14.387 ( -1.193 3.181 2.618) 4.289 14.785 ( 6.545 -3.060 -13.965) 15.723 14.785 ( 6.545 3.060 -13.965) 15.723 15.052 ( -5.616 -4.212 -7.819) 10.508 15.052 ( -5.616 4.212 -7.819) 10.508 15.810 ( 0.813 -7.376 -1.537) 7.578 15.810 ( 0.813 7.376 -1.537) 7.578 16.371 ( -1.274 -9.430 1.967) 9.716 16.371 ( -1.274 9.430 1.967) 9.716 16.892 ( 15.621 -4.504 8.726) 18.451 16.892 ( 15.621 4.504 8.726) 18.451 18.465 ( 25.430 -19.058 62.889) 70.462 18.465 ( 25.430 19.058 62.889) 70.462 20.755 ( 6.552 -3.271 -4.676) 8.689 20.755 ( 6.552 3.271 -4.676) 8.689 21.402 ( -7.883 -1.113 -2.449) 8.329 21.402 ( -7.883 1.113 -2.449) 8.329 21.840 ( 3.378 -1.424 -4.057) 5.468 21.840 ( 3.378 1.424 -4.057) 5.468 22.422 ( -0.800 -2.184 -2.821) 3.656 22.422 ( -0.800 2.184 -2.821) 3.656 23.021 ( 2.870 -1.614 -1.176) 3.497 23.021 ( 2.870 1.614 -1.176) 3.497 23.934 ( 0.363 -1.194 4.419) 4.591 23.934 ( 0.363 1.194 4.419) 4.591 24.419 ( -10.757 -9.375 -6.181) 15.550 24.419 ( -10.757 9.375 -6.181) 15.550 26.638 ( -8.566 -12.759 0.087) 15.368 26.638 ( -8.566 12.759 0.087) 15.368 27.287 ( 4.460 -4.099 -3.842) 7.173 27.287 ( 4.460 4.099 -3.842) 7.173 ======================= Grid point 94 (50/128) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 8.141 -1.444 -0.254) 8.272 1.575 ( 8.141 1.444 -0.254) 8.272 1.982 ( 0.057 -16.495 5.477) 17.381 1.982 ( 0.057 16.495 5.477) 17.381 2.375 ( -7.300 -2.672 4.055) 8.767 2.375 ( -7.300 2.672 4.055) 8.767 2.785 ( 4.583 -14.622 6.900) 16.805 2.785 ( 4.583 14.622 6.900) 16.805 3.219 ( -4.160 -4.552 3.850) 7.270 3.219 ( -4.160 4.552 3.850) 7.270 3.509 ( 3.792 -5.291 4.620) 7.982 3.509 ( 3.792 5.291 4.620) 7.982 3.886 ( 0.952 -1.141 9.872) 9.983 3.886 ( 0.952 1.141 9.872) 9.983 4.396 ( -5.779 -5.431 -8.791) 11.840 4.396 ( -5.779 5.431 -8.791) 11.840 4.805 ( 0.961 -10.461 6.379) 12.290 4.805 ( 0.961 10.461 6.379) 12.290 5.517 ( 4.575 -2.429 4.230) 6.688 5.517 ( 4.575 2.429 4.230) 6.688 5.721 ( 7.640 -4.883 0.976) 9.119 5.721 ( 7.640 4.883 0.976) 9.119 6.127 ( -3.979 -5.387 4.924) 8.313 6.127 ( -3.979 5.387 4.924) 8.313 6.385 ( 2.950 -11.518 5.539) 13.116 6.385 ( 2.950 11.518 5.539) 13.116 6.531 ( 6.195 -4.727 -2.176) 8.091 6.531 ( 6.195 4.727 -2.176) 8.091 6.727 ( 5.195 -5.298 -0.310) 7.426 6.727 ( 5.195 5.298 -0.310) 7.426 7.034 ( 8.491 -5.849 -2.195) 10.542 7.034 ( 8.491 5.849 -2.195) 10.542 7.265 ( -5.687 -4.855 -0.180) 7.480 7.265 ( -5.687 4.855 -0.180) 7.480 7.410 ( -1.148 -3.369 -2.810) 4.535 7.410 ( -1.148 3.369 -2.810) 4.535 8.018 ( -2.970 -10.834 0.403) 11.241 8.018 ( -2.970 10.834 0.403) 11.241 8.169 ( -2.024 -6.512 -2.817) 7.378 8.169 ( -2.024 6.512 -2.817) 7.378 8.677 ( 5.912 -3.536 2.107) 7.204 8.677 ( 5.912 3.536 2.107) 7.204 9.133 ( -1.401 -3.447 8.080) 8.896 9.133 ( -1.401 3.447 8.080) 8.896 9.454 ( -1.096 -3.620 9.394) 10.127 9.454 ( -1.096 3.620 9.394) 10.127 9.540 ( 3.852 -7.891 1.699) 8.944 9.540 ( 3.852 7.891 1.699) 8.944 10.174 ( -15.600 -4.233 -1.776) 16.262 10.174 ( -15.600 4.233 -1.776) 16.262 10.545 ( 7.798 -7.802 -4.198) 11.803 10.545 ( 7.798 7.802 -4.198) 11.803 10.790 ( 4.458 -8.334 -4.736) 10.572 10.790 ( 4.458 8.334 -4.736) 10.572 11.195 ( -5.363 -0.910 1.599) 5.670 11.195 ( -5.363 0.910 1.599) 5.670 12.400 ( -1.792 -11.792 -6.004) 13.353 12.400 ( -1.792 11.792 -6.004) 13.353 12.676 ( -12.938 -3.771 -6.069) 14.780 12.676 ( -12.938 3.771 -6.069) 14.780 13.272 ( -0.704 -8.117 8.423) 11.719 13.272 ( -0.704 8.117 8.423) 11.719 13.591 ( -6.158 -6.815 -6.764) 11.407 13.591 ( -6.158 6.815 -6.764) 11.407 14.419 ( 2.144 -1.969 -1.574) 3.310 14.419 ( 2.144 1.969 -1.574) 3.310 14.714 ( -0.720 -3.875 -4.117) 5.700 14.714 ( -0.720 3.875 -4.117) 5.700 15.006 ( 4.395 -3.386 -5.109) 7.542 15.006 ( 4.395 3.386 -5.109) 7.542 15.858 ( 5.346 -5.087 -0.416) 7.391 15.858 ( 5.346 5.087 -0.416) 7.391 16.311 ( -5.247 -8.775 -0.689) 10.247 16.311 ( -5.247 8.775 -0.689) 10.247 17.213 ( 14.096 -4.491 4.191) 15.377 17.213 ( 14.096 4.491 4.191) 15.377 19.352 ( 17.014 -12.476 49.518) 53.825 19.352 ( 17.014 12.476 49.518) 53.825 20.787 ( 2.849 -8.767 -12.994) 15.932 20.787 ( 2.849 8.767 -12.994) 15.932 21.235 ( -5.280 -6.264 -3.638) 8.964 21.235 ( -5.280 6.264 -3.638) 8.964 21.890 ( 5.288 -0.710 -1.026) 5.433 21.890 ( 5.288 0.710 -1.026) 5.433 22.380 ( -0.185 -1.759 -4.391) 4.734 22.380 ( -0.185 1.759 -4.391) 4.734 23.055 ( 2.352 -0.887 -1.296) 2.829 23.055 ( 2.352 0.887 -1.296) 2.829 23.953 ( -4.448 -1.310 3.337) 5.712 23.953 ( -4.448 1.310 3.337) 5.712 24.166 ( -11.587 -3.125 -1.823) 12.138 24.166 ( -11.587 3.125 -1.823) 12.138 26.508 ( -7.352 -10.882 2.504) 13.370 26.508 ( -7.352 10.882 2.504) 13.370 27.341 ( 5.854 -3.824 -4.624) 8.383 27.341 ( 5.854 3.824 -4.624) 8.383 ======================= Grid point 96 (51/128) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -3.344 -14.486 -3.774) 15.338 1.606 ( -3.344 14.486 -3.774) 15.338 2.029 ( -0.709 -11.061 7.012) 13.115 2.029 ( -0.709 11.061 7.012) 13.115 2.317 ( 1.805 -1.532 -0.421) 2.405 2.317 ( 1.805 1.532 -0.421) 2.405 2.848 ( 0.596 -14.470 -0.595) 14.495 2.848 ( 0.596 14.470 -0.595) 14.495 3.192 ( -3.560 -2.980 6.044) 7.622 3.192 ( -3.560 2.980 6.044) 7.622 3.642 ( 4.681 -8.441 -1.186) 9.724 3.642 ( 4.681 8.441 -1.186) 9.724 3.937 ( -3.941 -4.490 -0.401) 5.988 3.937 ( -3.941 4.490 -0.401) 5.988 4.259 ( -0.703 -1.782 0.574) 2.000 4.259 ( -0.703 1.782 0.574) 2.000 4.880 ( 2.378 -11.880 2.891) 12.456 4.880 ( 2.378 11.880 2.891) 12.456 5.597 ( 0.725 -3.333 1.917) 3.913 5.597 ( 0.725 3.333 1.917) 3.913 5.809 ( 1.852 -5.385 1.500) 5.889 5.809 ( 1.852 5.385 1.500) 5.889 6.073 ( -7.894 -4.842 5.743) 10.897 6.073 ( -7.894 4.842 5.743) 10.897 6.402 ( -3.461 -4.083 0.553) 5.381 6.402 ( -3.461 4.083 0.553) 5.381 6.583 ( 5.960 -8.157 -4.154) 10.923 6.583 ( 5.960 8.157 -4.154) 10.923 6.859 ( 6.001 -2.348 4.066) 7.620 6.859 ( 6.001 2.348 4.066) 7.620 7.113 ( 0.189 -6.986 -2.254) 7.343 7.113 ( 0.189 6.986 -2.254) 7.343 7.242 ( 6.249 -9.010 0.500) 10.976 7.242 ( 6.249 9.010 0.500) 10.976 7.456 ( 8.284 -7.318 -2.989) 11.450 7.456 ( 8.284 7.318 -2.989) 11.450 7.915 ( -4.380 -10.541 -5.112) 12.507 7.915 ( -4.380 10.541 -5.112) 12.507 8.152 ( -0.156 -4.810 -0.330) 4.823 8.152 ( -0.156 4.810 -0.330) 4.823 8.779 ( 3.485 -4.200 0.851) 5.524 8.779 ( 3.485 4.200 0.851) 5.524 9.177 ( -1.600 -5.651 5.351) 7.946 9.177 ( -1.600 5.651 5.351) 7.946 9.479 ( -1.361 -7.628 -1.449) 7.882 9.479 ( -1.361 7.628 -1.449) 7.882 9.626 ( -0.620 -3.103 10.073) 10.558 9.626 ( -0.620 3.103 10.073) 10.558 9.892 ( -13.090 -4.088 -2.045) 13.865 9.892 ( -13.090 4.088 -2.045) 13.865 10.545 ( 3.724 -2.892 -15.678) 16.372 10.545 ( 3.724 2.892 -15.678) 16.372 10.837 ( 3.147 -10.929 -1.751) 11.507 10.837 ( 3.147 10.929 -1.751) 11.507 11.118 ( -4.790 -3.897 4.950) 7.914 11.118 ( -4.790 3.897 4.950) 7.914 12.366 ( -2.644 -6.032 1.598) 6.777 12.366 ( -2.644 6.032 1.598) 6.777 12.507 ( -2.897 -0.728 2.017) 3.605 12.507 ( -2.897 0.728 2.017) 3.605 13.277 ( -4.520 -4.811 -1.923) 6.876 13.277 ( -4.520 4.811 -1.923) 6.876 13.483 ( -2.084 -8.316 4.585) 9.722 13.483 ( -2.084 8.316 4.585) 9.722 14.395 ( 2.585 -6.940 -10.925) 13.198 14.395 ( 2.585 6.940 -10.925) 13.198 14.749 ( 1.254 -4.382 8.153) 9.341 14.749 ( 1.254 4.382 8.153) 9.341 15.046 ( 3.754 -2.541 -1.995) 4.953 15.046 ( 3.754 2.541 -1.995) 4.953 15.964 ( 6.414 -1.084 0.892) 6.566 15.964 ( 6.414 1.084 0.892) 6.566 16.203 ( -4.916 -7.846 -3.222) 9.804 16.203 ( -4.916 7.846 -3.222) 9.804 17.426 ( 8.589 -3.022 0.396) 9.114 17.426 ( 8.589 3.022 0.396) 9.114 19.848 ( 2.437 -1.953 10.440) 10.897 19.848 ( 2.437 1.953 10.440) 10.897 20.595 ( -3.906 -9.501 -10.265) 14.522 20.595 ( -3.906 9.501 -10.265) 14.522 21.223 ( 3.936 -4.007 -1.359) 5.778 21.223 ( 3.936 4.007 -1.359) 5.778 21.989 ( 4.399 -3.551 3.294) 6.543 21.989 ( 4.399 3.551 3.294) 6.543 22.344 ( 2.060 -1.098 -5.945) 6.387 22.344 ( 2.060 1.098 -5.945) 6.387 23.075 ( 1.308 -2.335 -0.756) 2.781 23.075 ( 1.308 2.335 -0.756) 2.781 23.796 ( -12.674 -1.641 2.270) 12.980 23.796 ( -12.674 1.641 2.270) 12.980 24.088 ( -2.410 -3.946 4.459) 6.424 24.088 ( -2.410 3.946 4.459) 6.424 26.434 ( -3.991 -7.935 1.354) 8.985 26.434 ( -3.991 7.935 1.354) 8.985 27.394 ( 4.289 -2.697 -2.167) 5.511 27.394 ( 4.289 2.697 -2.167) 5.511 ======================= Grid point 98 (52/128) ======================= q-point: (-0.56 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -2.111 -16.307 0.008) 16.443 1.507 ( -2.111 16.307 0.008) 16.443 2.062 ( -1.733 -3.587 3.991) 5.639 2.062 ( -1.733 3.587 3.991) 5.639 2.419 ( 8.048 -6.633 -0.402) 10.437 2.419 ( 8.048 6.633 -0.402) 10.437 2.840 ( -1.803 -9.410 2.677) 9.948 2.840 ( -1.803 9.410 2.677) 9.948 3.183 ( -3.873 -3.003 2.173) 5.361 3.183 ( -3.873 3.003 2.173) 5.361 3.492 ( -6.522 -5.499 -22.726) 24.275 3.492 ( -6.522 5.499 -22.726) 24.275 3.862 ( -1.902 -2.709 -1.275) 3.547 3.862 ( -1.902 2.709 -1.275) 3.547 4.366 ( 3.436 -3.142 10.671) 11.642 4.366 ( 3.436 3.142 10.671) 11.642 4.933 ( 4.268 -9.755 -3.415) 11.182 4.933 ( 4.268 9.755 -3.415) 11.182 5.514 ( -12.194 -4.660 -1.636) 13.156 5.514 ( -12.194 4.660 -1.636) 13.156 5.827 ( -0.867 -4.802 1.807) 5.203 5.827 ( -0.867 4.802 1.807) 5.203 6.004 ( -2.728 -2.753 1.216) 4.063 6.004 ( -2.728 2.753 1.216) 4.063 6.365 ( -1.821 -2.776 2.430) 4.114 6.365 ( -1.821 2.776 2.430) 4.114 6.669 ( 5.940 -7.813 0.855) 9.852 6.669 ( 5.940 7.813 0.855) 9.852 6.919 ( -3.398 -4.314 2.555) 6.057 6.919 ( -3.398 4.314 2.555) 6.057 7.110 ( 3.467 -7.429 -3.846) 9.055 7.110 ( 3.467 7.429 -3.846) 9.055 7.358 ( 4.533 -11.451 1.022) 12.358 7.358 ( 4.533 11.451 1.022) 12.358 7.582 ( 5.707 -10.913 0.155) 12.316 7.582 ( 5.707 10.913 0.155) 12.316 7.846 ( 4.606 -8.926 -5.987) 11.693 7.846 ( 4.606 8.926 -5.987) 11.693 8.129 ( -1.347 -2.610 -1.545) 3.319 8.129 ( -1.347 2.610 -1.545) 3.319 8.796 ( -0.983 -2.262 -1.097) 2.700 8.796 ( -0.983 2.262 -1.097) 2.700 9.085 ( -7.972 -1.924 -9.924) 12.874 9.085 ( -7.972 1.924 -9.924) 12.874 9.429 ( -5.962 -11.578 3.615) 13.516 9.429 ( -5.962 11.578 3.615) 13.516 9.614 ( -2.522 -3.661 -0.120) 4.447 9.614 ( -2.522 3.661 -0.120) 4.447 9.809 ( -1.080 -6.544 5.024) 8.321 9.809 ( -1.080 6.544 5.024) 8.321 10.447 ( 3.951 -2.866 -17.830) 18.486 10.447 ( 3.951 2.866 -17.830) 18.486 10.842 ( 2.834 -4.611 -4.822) 7.248 10.842 ( 2.834 4.611 -4.822) 7.248 11.160 ( -0.865 -3.154 11.975) 12.414 11.160 ( -0.865 3.154 11.975) 12.414 12.314 ( -2.735 -3.453 1.593) 4.684 12.314 ( -2.735 3.453 1.593) 4.684 12.602 ( 2.778 -2.474 12.722) 13.255 12.602 ( 2.778 2.474 12.722) 13.255 13.157 ( -2.756 -4.225 -6.239) 8.023 13.157 ( -2.756 4.225 -6.239) 8.023 13.562 ( 0.087 -10.503 12.501) 16.328 13.562 ( 0.087 10.503 12.501) 16.328 14.333 ( 2.737 -7.264 -11.761) 14.092 14.333 ( 2.737 7.264 -11.761) 14.092 14.854 ( 0.783 -5.714 9.913) 11.468 14.854 ( 0.783 5.714 9.913) 11.468 15.092 ( 2.278 -2.634 1.203) 3.684 15.092 ( 2.278 2.634 1.203) 3.684 16.026 ( -1.795 -6.322 -3.386) 7.393 16.026 ( -1.795 6.322 -3.386) 7.393 16.145 ( 3.294 -4.954 0.511) 5.971 16.145 ( 3.294 4.954 0.511) 5.971 17.506 ( 2.046 -1.957 -2.760) 3.954 17.506 ( 2.046 1.957 -2.760) 3.954 19.480 ( -18.086 -2.275 -45.539) 49.052 19.480 ( -18.086 2.275 -45.539) 49.052 20.703 ( 7.425 -3.339 14.418) 16.558 20.703 ( 7.425 3.339 14.418) 16.558 21.268 ( 2.745 -3.668 -2.564) 5.250 21.268 ( 2.745 3.668 -2.564) 5.250 22.056 ( -1.304 -5.113 4.085) 6.673 22.056 ( -1.304 5.113 4.085) 6.673 22.362 ( 6.050 -1.022 -5.169) 8.022 22.362 ( 6.050 1.022 -5.169) 8.022 23.095 ( 1.025 -3.998 1.029) 4.253 23.095 ( 1.025 3.998 1.029) 4.253 23.669 ( -6.113 -2.429 6.033) 8.925 23.669 ( -6.113 2.429 6.033) 8.925 24.093 ( -2.329 -3.956 4.923) 6.731 24.093 ( -2.329 3.956 4.923) 6.731 26.383 ( -2.271 -7.570 -1.065) 7.975 26.383 ( -2.271 7.570 -1.065) 7.975 27.452 ( 3.180 -2.717 0.909) 4.280 27.452 ( 3.180 2.717 0.909) 4.280 ======================= Grid point 100 (53/128) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 9.689 -9.184 1.989) 13.498 1.589 ( 9.689 9.184 1.989) 13.498 2.024 ( -5.502 -5.911 -1.179) 8.161 2.024 ( -5.502 5.911 -1.179) 8.161 2.500 ( -0.611 -7.736 -0.189) 7.763 2.500 ( -0.611 7.736 -0.189) 7.763 2.810 ( -7.938 -3.925 -1.401) 8.966 2.810 ( -7.938 3.925 -1.401) 8.966 2.994 ( -3.248 -1.010 -16.375) 16.725 2.994 ( -3.248 1.010 -16.375) 16.725 3.319 ( 2.130 -6.506 -1.445) 6.997 3.319 ( 2.130 6.506 -1.444) 6.997 3.798 ( -3.967 -4.669 -2.470) 6.606 3.798 ( -3.967 4.669 -2.470) 6.606 4.504 ( 2.161 -3.904 7.358) 8.606 4.504 ( 2.161 3.904 7.358) 8.606 4.969 ( 3.711 -5.310 -4.224) 7.734 4.969 ( 3.711 5.310 -4.224) 7.734 5.227 ( -12.514 -10.302 -8.357) 18.236 5.227 ( -12.514 10.302 -8.357) 18.236 5.772 ( -5.332 -6.858 -8.172) 11.927 5.772 ( -5.332 6.858 -8.172) 11.927 5.972 ( -3.772 -6.948 3.333) 8.579 5.972 ( -3.772 6.948 3.333) 8.579 6.378 ( 0.065 -3.034 1.572) 3.418 6.378 ( 0.065 3.034 1.572) 3.418 6.787 ( 2.042 -5.547 3.808) 7.031 6.787 ( 2.042 5.547 3.808) 7.031 6.842 ( -1.547 -3.534 -0.818) 3.944 6.842 ( -1.547 3.534 -0.818) 3.944 7.117 ( -0.349 -4.343 -1.870) 4.741 7.117 ( -0.349 4.343 -1.870) 4.741 7.372 ( -4.789 -9.448 1.589) 10.711 7.372 ( -4.789 9.448 1.589) 10.711 7.623 ( 1.660 -6.159 -0.779) 6.426 7.623 ( 1.660 6.159 -0.779) 6.426 7.971 ( 9.451 -8.024 0.069) 12.398 7.971 ( 9.451 8.024 0.069) 12.398 8.109 ( 1.591 -0.950 -0.440) 1.905 8.109 ( 1.591 0.950 -0.440) 1.905 8.716 ( -5.425 -4.732 -9.344) 11.795 8.716 ( -5.425 4.732 -9.344) 11.795 8.859 ( -3.422 -3.377 -6.303) 7.928 8.859 ( -3.422 3.377 -6.303) 7.928 9.307 ( -7.938 -9.602 0.039) 12.458 9.307 ( -7.938 9.602 0.039) 12.458 9.651 ( 2.183 -2.005 -0.078) 2.965 9.651 ( 2.183 2.005 -0.078) 2.965 9.810 ( 0.899 -7.791 -1.780) 8.042 9.810 ( 0.899 7.791 -1.780) 8.042 10.359 ( 3.164 -1.731 -14.871) 15.302 10.359 ( 3.164 1.731 -14.871) 15.302 10.886 ( 6.546 -5.422 -3.689) 9.266 10.886 ( 6.546 5.422 -3.689) 9.266 11.259 ( -1.421 -3.346 12.486) 13.004 11.259 ( -1.421 3.346 12.486) 13.004 12.351 ( 4.965 -3.928 4.182) 7.588 12.351 ( 4.965 3.928 4.182) 7.588 12.769 ( 0.305 -3.277 16.229) 16.559 12.769 ( 0.305 3.277 16.229) 16.559 13.095 ( 1.031 -8.313 -4.150) 9.349 13.095 ( 1.031 8.313 -4.150) 9.349 13.679 ( 0.081 -10.783 11.062) 15.448 13.679 ( 0.081 10.783 11.062) 15.448 14.283 ( 2.236 -4.223 -7.653) 9.022 14.283 ( 2.236 4.223 -7.653) 9.022 14.953 ( 0.553 -5.585 9.753) 11.253 14.953 ( 0.553 5.585 9.753) 11.253 15.155 ( 2.448 -2.856 4.504) 5.868 15.155 ( 2.448 2.856 4.504) 5.868 15.909 ( -4.133 -4.802 -7.732) 9.996 15.909 ( -4.133 4.802 -7.732) 9.996 16.244 ( 3.919 -6.379 3.628) 8.319 16.244 ( 3.919 6.379 3.628) 8.319 17.441 ( -5.242 -2.727 -5.951) 8.386 17.441 ( -5.242 2.727 -5.951) 8.386 18.635 ( -21.877 -6.135 -60.149) 64.297 18.635 ( -21.877 6.135 -60.149) 64.297 20.941 ( 6.403 -6.246 9.006) 12.694 20.941 ( 6.403 6.246 9.006) 12.694 21.268 ( 0.530 -4.524 -2.184) 5.052 21.268 ( 0.530 4.524 -2.184) 5.052 22.034 ( -3.896 -3.684 2.256) 5.818 22.034 ( -3.896 3.684 2.256) 5.818 22.421 ( 4.640 -1.785 -3.278) 5.955 22.421 ( 4.640 1.785 -3.278) 5.955 23.122 ( 0.106 -2.857 1.788) 3.372 23.122 ( 0.106 2.857 1.788) 3.372 23.698 ( 2.414 -1.499 5.212) 5.936 23.698 ( 2.414 1.499 5.212) 5.936 24.110 ( -1.221 -5.040 6.872) 8.609 24.110 ( -1.221 5.040 6.872) 8.609 26.347 ( -0.196 -9.873 -1.497) 9.988 26.347 ( -0.196 9.873 -1.497) 9.988 27.511 ( 1.908 -3.903 2.186) 4.864 27.511 ( 1.908 3.903 2.186) 4.864 ======================= Grid point 102 (54/128) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -5.941 -18.950 -17.239) 26.298 1.707 ( -5.941 18.950 -17.239) 26.298 1.879 ( 4.478 -1.987 -2.348) 5.432 1.879 ( 4.478 1.987 -2.348) 5.432 2.295 ( -16.176 -8.899 -3.597) 18.809 2.295 ( -16.176 8.899 -3.597) 18.809 2.639 ( -6.910 -6.274 2.883) 9.768 2.639 ( -6.910 6.274 2.883) 9.768 3.007 ( 9.520 -6.033 -3.847) 11.909 3.007 ( 9.519 6.033 -3.847) 11.909 3.426 ( 6.858 -4.651 3.810) 9.120 3.426 ( 6.858 4.651 3.810) 9.120 3.683 ( -6.616 -5.840 -3.180) 9.381 3.683 ( -6.616 5.840 -3.180) 9.381 4.542 ( -3.280 -5.321 1.585) 6.448 4.542 ( -3.280 5.321 1.585) 6.448 4.878 ( -11.919 -6.246 3.407) 13.881 4.878 ( -11.919 6.246 3.407) 13.881 5.131 ( 14.109 -5.113 -16.245) 22.116 5.131 ( 14.109 5.113 -16.245) 22.116 5.476 ( -12.923 -9.198 -17.845) 23.876 5.476 ( -12.923 9.198 -17.845) 23.876 5.939 ( -4.001 -7.726 2.568) 9.072 5.939 ( -4.001 7.726 2.568) 9.072 6.347 ( -4.677 -2.244 -1.089) 5.301 6.347 ( -4.677 2.244 -1.089) 5.301 6.683 ( -10.269 -6.413 -2.165) 12.299 6.683 ( -10.269 6.413 -2.165) 12.299 6.940 ( 3.467 -4.487 2.458) 6.180 6.940 ( 3.467 4.487 2.458) 6.180 7.116 ( 2.776 -4.575 2.422) 5.874 7.116 ( 2.776 4.575 2.422) 5.874 7.279 ( -6.333 -8.141 2.338) 10.576 7.279 ( -6.333 8.141 2.338) 10.576 7.634 ( -1.184 -0.601 2.271) 2.631 7.634 ( -1.184 0.601 2.271) 2.631 8.036 ( -2.334 -8.607 1.466) 9.038 8.036 ( -2.334 8.607 1.466) 9.038 8.201 ( 5.837 -4.631 0.957) 7.512 8.201 ( 5.837 4.631 0.957) 7.512 8.561 ( 0.738 -10.815 -6.653) 12.719 8.561 ( 0.738 10.815 -6.653) 12.719 8.856 ( 4.946 -1.595 -2.325) 5.693 8.856 ( 4.946 1.595 -2.325) 5.693 9.201 ( -3.447 -4.409 -1.840) 5.892 9.201 ( -3.447 4.409 -1.840) 5.892 9.588 ( -6.634 -9.179 -0.796) 11.354 9.588 ( -6.634 9.179 -0.796) 11.354 9.882 ( 11.151 -3.890 -8.150) 14.349 9.882 ( 11.151 3.890 -8.150) 14.349 10.282 ( 1.531 -1.151 -10.041) 10.222 10.282 ( 1.531 1.151 -10.041) 10.222 10.957 ( 5.267 -11.451 -4.412) 13.354 10.957 ( 5.267 11.451 -4.412) 13.354 11.322 ( -4.121 -4.174 10.796) 12.287 11.322 ( -4.121 4.174 10.796) 12.287 12.571 ( 15.194 -3.463 5.596) 16.558 12.571 ( 15.194 3.463 5.596) 16.558 12.886 ( -2.039 -2.560 12.209) 12.641 12.886 ( -2.039 2.560 12.209) 12.641 13.115 ( 2.990 -9.521 1.126) 10.043 13.115 ( 2.990 9.521 1.126) 10.043 13.739 ( -1.900 -10.701 5.014) 11.969 13.739 ( -1.900 10.701 5.014) 11.969 14.284 ( 2.186 -1.659 0.074) 2.745 14.284 ( 2.186 1.659 0.074) 2.745 15.062 ( 2.959 -4.216 7.799) 9.347 15.062 ( 2.959 4.216 7.799) 9.347 15.272 ( 3.567 -2.327 10.852) 11.658 15.272 ( 3.567 2.327 10.852) 11.658 15.761 ( -4.167 -2.525 -9.009) 10.242 15.761 ( -4.167 2.525 -9.009) 10.242 16.314 ( 1.138 -6.682 1.208) 6.885 16.314 ( 1.138 6.682 1.208) 6.885 17.207 ( -13.526 -2.132 -12.589) 18.600 17.207 ( -13.526 2.132 -12.589) 18.600 17.736 ( -19.856 -8.252 -53.139) 57.324 17.736 ( -19.856 8.252 -53.139) 57.324 21.029 ( -1.915 -6.126 0.439) 6.434 21.029 ( -1.915 6.126 0.439) 6.434 21.297 ( 3.940 -3.282 2.316) 5.627 21.297 ( 3.940 3.282 2.316) 5.627 21.982 ( -3.758 -2.025 1.096) 4.408 21.982 ( -3.758 2.025 1.096) 4.408 22.453 ( 2.268 -2.475 -2.186) 4.006 22.453 ( 2.268 2.475 -2.186) 4.006 23.115 ( -2.312 -1.437 0.715) 2.814 23.115 ( -2.312 1.437 0.715) 2.814 23.786 ( 3.873 -2.725 -0.255) 4.742 23.786 ( 3.873 2.725 -0.255) 4.742 24.215 ( 5.055 -8.532 9.782) 13.929 24.215 ( 5.055 8.532 9.782) 13.929 26.365 ( 3.686 -12.450 -0.264) 12.987 26.365 ( 3.686 12.450 -0.264) 12.987 27.546 ( -0.468 -4.545 2.382) 5.152 27.546 ( -0.468 4.545 2.382) 5.152 ======================= Grid point 104 (55/128) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -14.629 -11.255 -26.058) 31.933 1.227 ( -14.629 11.255 -26.058) 31.933 1.883 ( -16.038 -1.293 7.345) 17.687 1.883 ( -16.038 1.293 7.345) 17.687 2.191 ( 5.856 -11.252 1.534) 12.777 2.191 ( 5.856 11.252 1.534) 12.777 2.580 ( -4.140 -7.700 6.479) 10.882 2.580 ( -4.140 7.700 6.479) 10.882 3.133 ( 4.769 -8.065 -2.637) 9.733 3.133 ( 4.769 8.065 -2.637) 9.733 3.456 ( -6.218 -8.037 -3.936) 10.897 3.456 ( -6.218 8.037 -3.936) 10.897 3.644 ( 8.398 -10.290 0.299) 13.285 3.644 ( 8.398 10.290 0.299) 13.285 4.461 ( -5.090 -8.117 1.337) 9.674 4.461 ( -5.090 8.117 1.337) 9.674 4.755 ( -4.664 -7.095 -1.533) 8.628 4.755 ( -4.664 7.095 -1.533) 8.628 5.111 ( -9.563 -6.597 -9.242) 14.845 5.111 ( -9.563 6.597 -9.242) 14.845 5.291 ( 15.000 -3.780 -10.600) 18.752 5.291 ( 15.000 3.780 -10.600) 18.752 5.884 ( -2.503 -7.458 -0.751) 7.903 5.884 ( -2.503 7.458 -0.751) 7.903 6.167 ( -14.159 -9.683 -3.993) 17.612 6.167 ( -14.159 9.683 -3.993) 17.612 6.484 ( -7.989 -10.361 -0.909) 13.115 6.484 ( -7.989 10.361 -0.909) 13.115 7.004 ( 3.975 -3.596 -1.000) 5.453 7.004 ( 3.975 3.596 -1.000) 5.453 7.068 ( -13.315 -9.821 6.279) 17.697 7.068 ( -13.315 9.821 6.279) 17.697 7.350 ( 8.586 -5.396 4.007) 10.904 7.350 ( 8.586 5.396 4.007) 10.904 7.638 ( -3.167 -5.201 6.418) 8.847 7.638 ( -3.167 5.201 6.418) 8.847 7.963 ( -4.596 -3.791 -1.595) 6.168 7.963 ( -4.596 3.791 -1.595) 6.168 8.282 ( 3.192 -4.144 1.501) 5.442 8.282 ( 3.192 4.144 1.501) 5.442 8.600 ( 4.651 -8.503 -0.886) 9.733 8.600 ( 4.651 8.503 -0.886) 9.733 8.937 ( 5.096 -0.933 -1.000) 5.276 8.937 ( 5.096 0.933 -1.000) 5.276 9.166 ( 1.119 -2.588 -0.817) 2.935 9.166 ( 1.119 2.588 -0.817) 2.935 9.482 ( -3.483 -6.042 -2.259) 7.331 9.482 ( -3.483 6.042 -2.259) 7.331 9.978 ( 8.573 -6.001 -8.773) 13.656 9.978 ( 8.573 6.001 -8.773) 13.656 10.260 ( 5.712 -0.764 -6.056) 8.360 10.260 ( 5.712 0.764 -6.056) 8.360 10.974 ( 1.762 -13.568 -4.343) 14.355 10.974 ( 1.762 13.568 -4.343) 14.355 11.313 ( -7.210 -4.436 8.605) 12.071 11.313 ( -7.210 4.436 8.605) 12.071 12.867 ( 8.325 -7.414 4.360) 11.970 12.867 ( 8.325 7.414 4.360) 11.970 12.935 ( 1.763 -2.381 1.963) 3.553 12.935 ( 1.763 2.381 1.963) 3.553 13.241 ( 11.150 -9.400 2.748) 14.840 13.241 ( 11.150 9.400 2.748) 14.840 13.734 ( -2.272 -9.659 5.109) 11.161 13.734 ( -2.272 9.659 5.109) 11.161 14.353 ( 3.160 -4.920 4.937) 7.653 14.353 ( 3.160 4.920 4.937) 7.653 15.198 ( 6.783 -5.151 4.751) 9.753 15.198 ( 6.783 5.151 4.751) 9.753 15.392 ( -7.587 -7.132 6.537) 12.295 15.392 ( -7.587 7.132 6.537) 12.295 15.668 ( 4.633 -6.036 -1.551) 7.766 15.668 ( 4.633 6.036 -1.551) 7.766 16.267 ( -3.897 -2.906 -9.265) 10.463 16.267 ( -3.897 2.906 -9.265) 10.463 16.763 ( -14.573 -6.708 -18.985) 24.856 16.763 ( -14.573 6.708 -18.985) 24.856 17.129 ( -14.614 -7.215 -17.024) 23.568 17.129 ( -14.614 7.215 -17.024) 23.568 20.931 ( -7.157 -1.471 -1.890) 7.547 20.931 ( -7.157 1.471 -1.890) 7.547 21.406 ( 4.862 -2.396 2.824) 6.111 21.406 ( 4.862 2.396 2.824) 6.111 21.931 ( -2.819 -1.912 -0.165) 3.411 21.931 ( -2.819 1.912 -0.165) 3.411 22.465 ( 1.241 -2.952 -1.382) 3.488 22.465 ( 1.241 2.952 -1.382) 3.488 23.064 ( -3.309 -2.134 -0.786) 4.015 23.064 ( -3.309 2.134 -0.786) 4.015 23.822 ( 1.910 -2.491 -1.157) 3.345 23.822 ( 1.910 2.491 -1.157) 3.345 24.421 ( 9.032 -13.204 6.046) 17.102 24.421 ( 9.032 13.204 6.046) 17.102 26.468 ( 8.329 -13.370 0.048) 15.752 26.468 ( 8.329 13.370 0.048) 15.752 27.531 ( -4.290 -4.731 2.623) 6.904 27.531 ( -4.290 4.731 2.623) 6.904 ======================= Grid point 106 (56/128) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 2.756 -14.729 11.114) 18.657 1.019 ( 2.756 14.729 11.114) 18.657 1.641 ( -20.623 -10.671 11.874) 26.080 1.641 ( -20.623 10.671 11.874) 26.080 2.249 ( 1.834 -10.092 -4.410) 11.166 2.249 ( 1.834 10.092 -4.410) 11.166 2.653 ( 2.419 -12.511 5.982) 14.077 2.653 ( 2.419 12.511 5.982) 14.077 3.062 ( -4.484 -4.731 0.887) 6.578 3.062 ( -4.484 4.731 0.887) 6.578 3.388 ( -2.724 -28.398 3.428) 28.733 3.388 ( -2.724 28.398 3.428) 28.733 3.829 ( 13.164 -8.219 -3.059) 15.818 3.829 ( 13.164 8.219 -3.059) 15.818 4.427 ( -2.874 -7.640 3.247) 8.785 4.427 ( -2.874 7.640 3.247) 8.785 4.724 ( 1.861 -10.927 6.086) 12.645 4.724 ( 1.861 10.927 6.086) 12.645 4.966 ( -2.926 -6.520 -0.987) 7.215 4.966 ( -2.926 6.520 -0.987) 7.215 5.432 ( 4.836 -6.871 0.821) 8.443 5.432 ( 4.836 6.871 0.821) 8.443 5.867 ( -1.990 -9.326 -4.289) 10.456 5.867 ( -1.990 9.326 -4.289) 10.456 5.942 ( 1.706 -4.350 -2.741) 5.418 5.942 ( 1.706 4.350 -2.741) 5.418 6.399 ( -1.769 -12.149 -1.720) 12.397 6.399 ( -1.769 12.149 -1.720) 12.397 6.867 ( -15.199 -7.712 6.085) 18.097 6.867 ( -15.199 7.712 6.085) 18.097 7.058 ( 0.783 -1.251 0.642) 1.609 7.058 ( 0.783 1.251 0.642) 1.609 7.468 ( -2.333 -3.161 6.016) 7.185 7.468 ( -2.333 3.161 6.016) 7.185 7.654 ( 0.428 -4.955 3.487) 6.075 7.654 ( 0.428 4.955 3.487) 6.075 7.899 ( -1.560 -4.245 0.562) 4.557 7.899 ( -1.560 4.245 0.562) 4.557 8.342 ( 1.993 -1.397 1.446) 2.831 8.342 ( 1.993 1.397 1.446) 2.831 8.631 ( 1.655 -6.307 -5.228) 8.357 8.631 ( 1.655 6.307 -5.228) 8.357 8.989 ( 2.169 -4.636 0.191) 5.122 8.989 ( 2.169 4.636 0.191) 5.122 9.215 ( 3.133 -4.769 1.779) 5.977 9.215 ( 3.133 4.769 1.779) 5.977 9.443 ( -0.725 -2.416 1.285) 2.831 9.443 ( -0.725 2.416 1.285) 2.831 10.026 ( 6.440 -6.110 -5.477) 10.430 10.026 ( 6.440 6.110 -5.477) 10.430 10.361 ( 11.656 -1.354 -6.237) 13.289 10.361 ( 11.656 1.354 -6.237) 13.289 10.943 ( -2.275 -12.682 -1.722) 12.999 10.943 ( -2.275 12.682 -1.722) 12.999 11.251 ( -7.565 -3.110 6.585) 10.501 11.251 ( -7.565 3.110 6.585) 10.501 12.876 ( -4.241 -4.559 -1.501) 6.405 12.876 ( -4.241 4.559 -1.501) 6.405 12.989 ( 1.435 -9.296 0.401) 9.415 12.989 ( 1.435 9.296 0.401) 9.415 13.437 ( 11.066 -7.121 -9.178) 16.044 13.437 ( 11.066 7.121 -9.178) 16.044 13.816 ( 3.475 -10.082 7.367) 12.962 13.816 ( 3.475 10.082 7.367) 12.962 14.479 ( 7.261 -6.993 1.871) 10.253 14.479 ( 7.261 6.993 1.871) 10.253 15.056 ( -21.314 -1.916 -13.510) 25.308 15.056 ( -21.314 1.916 -13.510) 25.308 15.372 ( 4.737 -6.974 1.801) 8.621 15.372 ( 4.737 6.974 1.801) 8.621 15.795 ( 7.263 -5.234 2.243) 9.229 15.795 ( 7.263 5.234 2.243) 9.229 16.116 ( -3.844 -1.402 -3.399) 5.319 16.116 ( -3.844 1.402 -3.399) 5.319 16.607 ( -0.219 -8.897 7.555) 11.674 16.607 ( -0.219 8.897 7.555) 11.674 16.912 ( -2.503 -0.453 12.135) 12.399 16.912 ( -2.503 0.453 12.135) 12.399 20.795 ( -5.992 -5.373 -1.841) 8.256 20.795 ( -5.992 5.373 -1.841) 8.256 21.489 ( 2.153 -1.966 1.865) 3.461 21.489 ( 2.153 1.966 1.865) 3.461 21.885 ( -1.566 -2.096 -1.916) 3.243 21.885 ( -1.566 2.096 -1.916) 3.243 22.469 ( 0.423 -2.947 -1.079) 3.167 22.469 ( 0.423 2.947 -1.079) 3.167 23.008 ( -1.604 -2.431 -1.578) 3.313 23.008 ( -1.604 2.431 -1.578) 3.313 23.847 ( 1.460 -1.553 0.737) 2.256 23.847 ( 1.460 1.553 0.737) 2.256 24.579 ( 5.565 -16.074 -0.226) 17.011 24.579 ( 5.565 16.074 -0.226) 17.011 26.624 ( 10.210 -11.957 -2.040) 15.855 26.624 ( 10.210 11.957 -2.040) 15.855 27.442 ( -8.824 -4.300 2.134) 10.045 27.442 ( -8.824 4.300 2.134) 10.045 ======================= Grid point 126 (57/128) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -11.522 0.000 27.356) 29.683 1.526 ( -15.101 0.000 26.158) 30.204 2.014 ( -0.548 0.000 2.382) 2.445 2.030 ( 10.908 0.000 3.050) 11.326 2.339 ( -13.094 0.000 3.372) 13.521 2.496 ( -0.202 0.000 15.017) 15.018 2.626 ( 7.931 0.000 35.398) 36.276 2.777 ( -2.981 0.000 5.089) 5.898 2.890 ( 5.018 0.000 27.773) 28.222 2.991 ( 4.028 0.000 -8.217) 9.151 3.563 ( 5.516 0.000 8.771) 10.361 3.670 ( 11.606 0.000 0.834) 11.636 3.812 ( -8.089 0.000 4.698) 9.354 3.871 ( 8.148 0.000 -11.517) 14.108 4.438 ( -0.328 0.000 4.060) 4.073 4.773 ( -7.383 0.000 -13.662) 15.529 5.023 ( 3.601 0.000 7.349) 8.184 5.045 ( 3.908 0.000 2.356) 4.563 5.333 ( -0.818 0.000 3.065) 3.172 5.370 ( -4.147 0.000 -4.026) 5.780 5.534 ( -0.799 0.000 -5.851) 5.905 5.787 ( 17.808 0.000 6.470) 18.947 5.995 ( 6.859 0.000 14.238) 15.804 5.996 ( -13.570 0.000 -1.511) 13.654 6.259 ( 18.634 0.000 2.825) 18.847 6.458 ( 0.622 0.000 3.506) 3.561 6.478 ( 15.089 0.000 -7.935) 17.048 6.693 ( -10.572 0.000 -4.982) 11.687 6.765 ( 2.678 0.000 -1.797) 3.225 6.809 ( 10.441 0.000 -8.310) 13.344 6.982 ( -3.450 0.000 -2.577) 4.306 7.148 ( 3.624 0.000 -6.905) 7.798 7.224 ( -3.066 0.000 6.107) 6.833 7.395 ( -4.423 0.000 1.765) 4.762 7.699 ( -9.385 0.000 2.182) 9.635 7.793 ( 10.516 0.000 2.268) 10.758 7.909 ( 1.919 0.000 3.736) 4.200 7.952 ( -11.652 0.000 -1.826) 11.794 7.985 ( -2.894 0.000 -0.086) 2.895 8.142 ( 10.279 0.000 -1.175) 10.346 8.503 ( 6.816 0.000 3.781) 7.795 8.586 ( -8.125 0.000 3.692) 8.925 8.822 ( -11.965 0.000 1.080) 12.013 9.018 ( -2.396 0.000 11.252) 11.504 9.475 ( 16.261 0.000 -0.030) 16.261 9.566 ( 21.987 0.000 -8.473) 23.563 9.741 ( 2.371 0.000 5.159) 5.678 9.913 ( -9.712 0.000 1.031) 9.767 9.969 ( -4.757 0.000 -3.022) 5.636 10.315 ( -1.009 0.000 -5.604) 5.694 10.373 ( -14.945 0.000 -0.784) 14.966 10.554 ( 6.385 0.000 -16.226) 17.437 10.704 ( -4.759 0.000 11.197) 12.166 10.724 ( -0.766 0.000 17.630) 17.647 11.317 ( -10.823 0.000 6.102) 12.425 11.340 ( -5.990 0.000 -0.076) 5.990 11.858 ( 3.823 0.000 4.996) 6.291 12.518 ( -0.657 0.000 4.490) 4.538 12.519 ( -2.584 0.000 -13.395) 13.642 12.918 ( -4.399 0.000 -0.907) 4.491 12.975 ( 3.454 0.000 1.694) 3.847 13.676 ( 6.955 0.000 6.186) 9.308 13.989 ( -4.261 0.000 -3.254) 5.362 14.023 ( -3.118 0.000 -20.458) 20.695 14.262 ( -0.912 0.000 8.232) 8.282 14.595 ( 5.844 0.000 -13.338) 14.562 14.697 ( -16.334 0.000 -15.659) 22.627 14.899 ( 4.044 0.000 -0.725) 4.108 15.010 ( -8.060 0.000 -3.909) 8.958 15.078 ( 6.084 0.000 -8.402) 10.374 15.575 ( -18.330 0.000 -1.917) 18.430 15.766 ( 2.765 0.000 -5.665) 6.304 16.133 ( 20.033 0.000 8.779) 21.872 16.242 ( -10.100 0.000 7.576) 12.626 16.725 ( 15.134 0.000 7.842) 17.045 16.787 ( -4.451 0.000 0.474) 4.476 18.368 ( 25.658 0.000 59.162) 64.487 20.303 ( 62.846 0.000 9.782) 63.602 20.651 ( -5.194 0.000 -9.560) 10.880 21.005 ( -2.403 0.000 -9.372) 9.675 21.041 ( -7.042 0.000 1.768) 7.261 21.381 ( -1.576 0.000 -4.313) 4.591 21.547 ( -6.755 0.000 5.536) 8.734 22.055 ( -8.680 0.000 6.539) 10.868 22.119 ( 5.529 0.000 -11.125) 12.423 22.643 ( -2.346 0.000 6.212) 6.640 22.700 ( 5.709 0.000 -6.429) 8.598 22.929 ( 2.258 0.000 -2.469) 3.346 23.880 ( -0.836 0.000 0.181) 0.855 23.993 ( 5.643 0.000 -2.313) 6.099 24.066 ( -0.662 0.000 7.432) 7.461 24.892 ( -11.288 0.000 -16.212) 19.755 26.417 ( -11.264 0.000 16.296) 19.810 27.005 ( 3.414 0.000 -3.984) 5.247 27.273 ( -7.081 0.000 -0.483) 7.097 27.391 ( 1.930 0.000 -6.629) 6.904 ======================= Grid point 127 (58/128) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -1.914 0.000 21.094) 21.181 1.449 ( -14.260 0.000 24.117) 28.017 2.128 ( 9.387 0.000 1.919) 9.581 2.159 ( -8.485 0.000 9.267) 12.565 2.283 ( 8.382 0.000 -2.367) 8.710 2.533 ( -3.106 0.000 2.715) 4.126 2.721 ( -2.170 0.000 4.737) 5.210 2.875 ( 4.969 0.000 -4.072) 6.424 3.085 ( -0.127 0.000 3.395) 3.398 3.277 ( 14.933 0.000 23.185) 27.578 3.663 ( -11.719 0.000 1.494) 11.814 3.792 ( 1.382 0.000 -6.907) 7.044 3.906 ( 11.871 0.000 28.525) 30.896 3.930 ( 7.059 0.000 7.279) 10.140 4.469 ( -1.452 0.000 4.192) 4.436 4.501 ( -7.740 0.000 -18.881) 20.406 5.166 ( 6.331 0.000 2.481) 6.800 5.168 ( 0.976 0.000 4.907) 5.003 5.339 ( 1.646 0.000 -14.001) 14.097 5.342 ( 4.736 0.000 0.242) 4.742 5.431 ( -0.650 0.000 1.798) 1.912 5.728 ( -11.977 0.000 -3.930) 12.606 5.923 ( -1.734 0.000 7.675) 7.869 6.226 ( 7.019 0.000 7.398) 10.198 6.378 ( 2.354 0.000 -11.587) 11.824 6.525 ( 8.635 0.000 0.846) 8.677 6.594 ( -0.719 0.000 -3.435) 3.509 6.624 ( -1.262 0.000 0.402) 1.325 6.809 ( 1.103 0.000 2.828) 3.035 6.887 ( -1.558 0.000 -4.476) 4.739 7.075 ( 32.353 0.000 -15.306) 35.792 7.125 ( -2.467 0.000 -4.244) 4.909 7.216 ( -1.557 0.000 3.266) 3.618 7.314 ( -8.041 0.000 0.313) 8.047 7.602 ( -5.034 0.000 1.611) 5.285 7.690 ( -8.667 0.000 -5.105) 10.059 7.856 ( -5.455 0.000 1.955) 5.794 7.962 ( 4.706 0.000 -0.836) 4.779 8.000 ( -1.944 0.000 7.099) 7.361 8.294 ( 7.925 0.000 -4.111) 8.928 8.536 ( -0.210 0.000 1.094) 1.114 8.649 ( 3.916 0.000 5.865) 7.052 8.673 ( -6.144 0.000 3.634) 7.138 9.005 ( -10.884 0.000 9.989) 14.773 9.660 ( -17.853 0.000 7.326) 19.297 9.684 ( 5.765 0.000 2.428) 6.256 9.820 ( 10.428 0.000 -5.041) 11.582 9.879 ( 2.538 0.000 -3.439) 4.274 9.913 ( 10.396 0.000 8.082) 13.168 10.146 ( -6.403 0.000 -7.076) 9.543 10.150 ( -6.635 0.000 -10.669) 12.564 10.530 ( 2.073 0.000 -11.861) 12.041 10.882 ( 1.895 0.000 14.118) 14.244 10.907 ( 5.334 0.000 12.259) 13.369 11.235 ( -5.874 0.000 1.360) 6.030 11.239 ( -6.452 0.000 10.320) 12.171 11.965 ( 2.644 0.000 6.534) 7.048 12.349 ( -2.562 0.000 -13.760) 13.996 12.541 ( -2.822 0.000 5.788) 6.440 12.794 ( -6.163 0.000 -4.586) 7.682 13.096 ( 4.236 0.000 10.379) 11.210 13.615 ( -4.209 0.000 -19.647) 20.092 13.852 ( -7.790 0.000 -4.998) 9.256 13.988 ( 2.132 0.000 10.116) 10.338 14.179 ( -16.077 0.000 -8.919) 18.385 14.391 ( 0.659 0.000 -0.220) 0.695 14.607 ( 9.351 0.000 -12.025) 15.233 14.904 ( -4.083 0.000 -0.867) 4.174 14.957 ( 2.812 0.000 0.849) 2.937 15.221 ( 18.784 0.000 -7.363) 20.175 15.324 ( -12.060 0.000 5.132) 13.106 15.784 ( 4.396 0.000 -2.742) 5.180 16.101 ( -11.092 0.000 1.181) 11.155 16.546 ( 19.643 0.000 5.184) 20.315 16.714 ( -4.396 0.000 -0.181) 4.399 17.006 ( 13.056 0.000 0.923) 13.089 19.308 ( 23.467 0.000 52.239) 57.268 20.309 ( -11.676 0.000 -14.761) 18.821 20.729 ( -15.542 0.000 -20.290) 25.558 20.772 ( -6.342 0.000 -0.274) 6.348 21.330 ( 1.483 0.000 -5.091) 5.303 21.371 ( 35.211 0.000 -5.114) 35.581 21.493 ( -6.911 0.000 6.615) 9.567 21.996 ( -4.710 0.000 6.528) 8.050 22.115 ( 5.363 0.000 -10.098) 11.433 22.649 ( -3.406 0.000 5.878) 6.793 22.738 ( 4.289 0.000 -4.221) 6.018 22.950 ( 2.958 0.000 -3.009) 4.219 23.850 ( -1.702 0.000 -1.038) 1.994 24.053 ( 4.048 0.000 -2.187) 4.601 24.142 ( -1.273 0.000 11.305) 11.377 24.524 ( -15.739 0.000 -10.476) 18.907 26.455 ( -4.871 0.000 18.903) 19.520 27.030 ( 2.519 0.000 -2.110) 3.286 27.131 ( -7.102 0.000 -3.056) 7.731 27.369 ( 2.226 0.000 -5.230) 5.684 ======================= Grid point 128 (59/128) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 3.032 0.000 7.214) 7.825 1.582 ( 7.348 0.000 16.862) 18.394 2.133 ( -1.817 0.000 4.784) 5.118 2.305 ( 8.426 0.000 -0.314) 8.432 2.318 ( -3.794 0.000 6.325) 7.375 2.466 ( -5.098 0.000 2.393) 5.632 2.802 ( 3.202 0.000 5.585) 6.438 2.925 ( 9.808 0.000 -11.436) 15.066 3.101 ( 3.014 0.000 -2.569) 3.960 3.483 ( -8.796 0.000 -1.405) 8.907 3.614 ( 5.129 0.000 5.792) 7.737 3.727 ( -2.277 0.000 2.194) 3.162 4.121 ( -5.174 0.000 -4.095) 6.599 4.196 ( 2.219 0.000 -4.056) 4.624 4.325 ( 6.063 0.000 20.729) 21.598 4.412 ( -5.208 0.000 -6.616) 8.420 4.957 ( -13.707 0.000 0.489) 13.716 5.296 ( 10.267 0.000 -2.593) 10.589 5.341 ( -1.148 0.000 -3.920) 4.084 5.495 ( 8.413 0.000 3.487) 9.107 5.521 ( 6.647 0.000 0.555) 6.670 5.619 ( 3.826 0.000 0.180) 3.830 5.906 ( -7.973 0.000 6.943) 10.573 6.349 ( -0.684 0.000 3.143) 3.216 6.439 ( 16.499 0.000 -11.513) 20.119 6.458 ( -3.914 0.000 -6.153) 7.292 6.596 ( -0.010 0.000 -2.578) 2.578 6.624 ( 0.791 0.000 -0.010) 0.791 6.828 ( -2.497 0.000 4.056) 4.763 6.839 ( -1.342 0.000 0.457) 1.418 7.011 ( -6.594 0.000 -2.743) 7.141 7.126 ( -11.482 0.000 -1.306) 11.556 7.153 ( -11.157 0.000 3.824) 11.794 7.421 ( 7.886 0.000 -5.286) 9.494 7.507 ( 5.550 0.000 -3.232) 6.422 7.718 ( 13.533 0.000 -2.508) 13.764 7.764 ( -6.028 0.000 0.989) 6.109 8.008 ( 3.703 0.000 -3.814) 5.316 8.057 ( 2.142 0.000 5.072) 5.506 8.325 ( 4.491 0.000 -7.205) 8.490 8.599 ( 5.858 0.000 0.059) 5.859 8.629 ( -15.464 0.000 6.503) 16.776 8.705 ( 5.410 0.000 2.619) 6.011 8.967 ( 2.632 0.000 3.282) 4.208 9.418 ( -14.980 0.000 2.171) 15.136 9.746 ( -0.657 0.000 1.860) 1.972 9.796 ( -9.161 0.000 -9.707) 13.347 9.915 ( -10.249 0.000 -9.368) 13.885 9.952 ( 5.951 0.000 1.754) 6.205 10.085 ( 10.028 0.000 -9.404) 13.748 10.134 ( 6.224 0.000 1.279) 6.354 10.384 ( -3.169 0.000 -11.287) 11.724 10.973 ( -9.586 0.000 10.290) 14.063 11.024 ( 2.185 0.000 7.299) 7.619 11.205 ( -2.658 0.000 8.965) 9.351 11.325 ( 3.343 0.000 11.710) 12.178 12.073 ( 1.452 0.000 9.835) 9.941 12.192 ( -1.551 0.000 -12.458) 12.554 12.516 ( -6.660 0.000 6.140) 9.059 12.673 ( -3.139 0.000 -1.850) 3.644 13.303 ( 4.792 0.000 16.579) 17.258 13.347 ( -3.869 0.000 -21.545) 21.890 13.597 ( -14.365 0.000 -8.177) 16.529 13.918 ( -2.415 0.000 -7.261) 7.652 14.133 ( 0.881 0.000 14.616) 14.643 14.475 ( 2.175 0.000 7.407) 7.719 14.672 ( 10.077 0.000 -11.004) 14.921 14.834 ( -3.629 0.000 0.025) 3.629 15.015 ( 3.100 0.000 1.134) 3.301 15.247 ( -5.700 0.000 9.577) 11.145 15.518 ( 20.539 0.000 -4.307) 20.986 15.850 ( -0.311 0.000 -3.270) 3.285 15.942 ( -0.890 0.000 1.678) 1.900 16.629 ( -5.341 0.000 -0.997) 5.433 16.871 ( 15.381 0.000 0.730) 15.398 17.177 ( 9.039 0.000 -3.812) 9.810 19.868 ( -15.046 0.000 -34.078) 37.251 20.067 ( 17.219 0.000 35.686) 39.623 20.111 ( -25.622 0.000 -36.100) 44.269 20.697 ( -5.245 0.000 8.054) 9.612 21.331 ( 1.988 0.000 -2.580) 3.257 21.427 ( -7.470 0.000 6.537) 9.926 21.752 ( 20.037 0.000 -10.589) 22.663 22.028 ( 0.844 0.000 7.212) 7.261 22.111 ( 4.963 0.000 -9.932) 11.103 22.637 ( -4.503 0.000 5.990) 7.494 22.769 ( 3.267 0.000 -2.572) 4.158 22.965 ( 2.334 0.000 -3.873) 4.522 23.813 ( -1.621 0.000 -0.809) 1.811 24.098 ( 1.115 0.000 2.346) 2.597 24.208 ( -10.560 0.000 -8.643) 13.646 24.214 ( -3.563 0.000 12.747) 13.236 26.524 ( -5.537 0.000 11.499) 12.762 27.022 ( -2.874 0.000 0.567) 2.929 27.029 ( 0.766 0.000 -5.176) 5.232 27.390 ( 2.926 0.000 0.980) 3.086 ======================= Grid point 129 (60/128) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 6.877 0.000 0.508) 6.896 1.937 ( 17.267 0.000 10.782) 20.357 2.153 ( 1.031 0.000 2.713) 2.902 2.267 ( -6.687 0.000 -3.738) 7.661 2.370 ( -1.468 0.000 13.377) 13.457 2.561 ( 10.054 0.000 2.432) 10.344 2.886 ( -0.042 0.000 4.996) 4.996 2.992 ( 10.349 0.000 -11.381) 15.383 3.056 ( -2.501 0.000 -13.943) 14.165 3.381 ( -0.310 0.000 -1.599) 1.629 3.509 ( -10.606 0.000 -20.329) 22.929 3.648 ( -7.702 0.000 -2.114) 7.986 3.933 ( -2.277 0.000 1.016) 2.493 4.003 ( -18.687 0.000 -18.503) 26.298 4.396 ( 6.179 0.000 10.668) 12.328 4.610 ( 4.882 0.000 13.084) 13.965 4.922 ( 0.397 0.000 7.815) 7.825 5.218 ( -5.584 0.000 -2.814) 6.253 5.415 ( 2.395 0.000 -1.962) 3.096 5.625 ( 4.729 0.000 -2.094) 5.172 5.628 ( 6.594 0.000 -1.899) 6.862 5.777 ( 7.965 0.000 5.618) 9.747 5.854 ( 0.845 0.000 3.554) 3.653 6.202 ( -13.500 0.000 2.823) 13.791 6.438 ( 2.084 0.000 -8.472) 8.725 6.520 ( -2.425 0.000 0.796) 2.552 6.583 ( -4.018 0.000 2.166) 4.564 6.659 ( 5.292 0.000 -9.084) 10.513 6.818 ( -3.294 0.000 1.551) 3.640 6.844 ( -5.069 0.000 4.912) 7.059 6.914 ( 4.440 0.000 -0.584) 4.478 6.952 ( -6.311 0.000 -2.180) 6.677 6.954 ( -6.497 0.000 0.717) 6.536 7.391 ( -6.423 0.000 7.504) 9.878 7.616 ( 6.728 0.000 -0.962) 6.797 7.675 ( -2.335 0.000 -4.341) 4.930 7.997 ( 20.297 0.000 -9.649) 22.474 8.020 ( 2.281 0.000 -6.186) 6.593 8.142 ( 6.744 0.000 -6.162) 9.135 8.340 ( -19.155 0.000 1.478) 19.212 8.363 ( 3.799 0.000 -0.815) 3.885 8.721 ( 11.034 0.000 -3.298) 11.516 8.848 ( 9.305 0.000 -1.064) 9.366 9.044 ( -1.763 0.000 3.143) 3.604 9.260 ( -1.743 0.000 -0.973) 1.996 9.498 ( -13.178 0.000 -8.298) 15.573 9.531 ( -19.234 0.000 -13.651) 23.586 9.738 ( -7.547 0.000 3.151) 8.178 10.002 ( 8.363 0.000 -17.390) 19.297 10.031 ( -4.010 0.000 -15.170) 15.692 10.215 ( 2.748 0.000 9.339) 9.735 10.423 ( 9.821 0.000 -0.167) 9.823 10.869 ( -11.071 0.000 10.679) 15.382 11.059 ( -3.577 0.000 3.716) 5.158 11.298 ( -0.466 0.000 14.005) 14.013 11.483 ( 2.944 0.000 9.385) 9.836 12.088 ( 2.239 0.000 -10.011) 10.258 12.178 ( -2.290 0.000 11.992) 12.208 12.448 ( -6.626 0.000 5.828) 8.825 12.675 ( 2.150 0.000 3.088) 3.763 13.113 ( -2.194 0.000 -17.481) 17.619 13.281 ( -10.398 0.000 -6.404) 12.212 13.549 ( 0.422 0.000 17.465) 17.471 13.940 ( 7.969 0.000 2.632) 8.392 14.272 ( 1.412 0.000 11.017) 11.107 14.529 ( -2.203 0.000 0.462) 2.251 14.730 ( 8.038 0.000 -9.947) 12.789 14.823 ( -0.451 0.000 8.703) 8.715 15.082 ( 3.656 0.000 0.659) 3.714 15.285 ( -1.926 0.000 11.533) 11.693 15.682 ( -5.186 0.000 -8.797) 10.212 15.792 ( 12.787 0.000 1.239) 12.847 16.147 ( 12.258 0.000 6.614) 13.929 16.512 ( -6.652 0.000 -1.529) 6.825 17.053 ( 7.881 0.000 -5.853) 9.817 17.261 ( 6.304 0.000 -4.472) 7.730 19.185 ( -18.889 0.000 -51.245) 54.616 19.203 ( -31.863 0.000 -51.391) 60.467 20.575 ( 12.308 0.000 19.321) 22.908 20.731 ( -0.579 0.000 8.519) 8.539 21.321 ( -1.635 0.000 0.603) 1.743 21.402 ( -2.423 0.000 6.924) 7.336 21.900 ( 10.288 0.000 -11.506) 15.435 22.104 ( 5.511 0.000 -10.441) 11.806 22.140 ( 3.747 0.000 7.720) 8.581 22.606 ( -5.936 0.000 6.540) 8.832 22.805 ( 3.253 0.000 -1.702) 3.672 22.957 ( 1.428 0.000 -4.773) 4.983 23.780 ( -1.480 0.000 -0.626) 1.607 23.969 ( -9.389 0.000 -2.323) 9.672 24.196 ( 6.084 0.000 2.137) 6.449 24.249 ( -5.845 0.000 12.231) 13.556 26.458 ( -9.239 0.000 3.637) 9.929 26.968 ( -0.372 0.000 -7.571) 7.580 27.060 ( 2.208 0.000 6.750) 7.102 27.473 ( 3.042 0.000 4.487) 5.421 ======================= Grid point 130 (61/128) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 6.123 0.000 3.722) 7.166 2.081 ( -10.627 0.000 -7.047) 12.751 2.246 ( 5.463 0.000 4.522) 7.092 2.272 ( 11.139 0.000 4.374) 11.967 2.418 ( -5.052 0.000 -4.847) 7.001 2.733 ( -5.061 0.000 -18.992) 19.655 2.761 ( 12.878 0.000 -3.894) 13.453 2.888 ( -6.022 0.000 -0.535) 6.045 3.037 ( -11.691 0.000 -22.594) 25.439 3.066 ( 7.306 0.000 -9.568) 12.038 3.454 ( 7.241 0.000 2.715) 7.734 3.525 ( -9.812 0.000 3.225) 10.329 3.600 ( -17.506 0.000 0.626) 17.517 3.861 ( -8.800 0.000 -0.424) 8.810 4.592 ( 7.994 0.000 7.484) 10.951 4.750 ( 1.108 0.000 3.431) 3.606 4.920 ( -2.959 0.000 -2.334) 3.769 5.229 ( 5.443 0.000 4.648) 7.157 5.284 ( -11.755 0.000 -5.423) 12.945 5.618 ( 1.190 0.000 -7.324) 7.420 5.716 ( 4.998 0.000 0.167) 5.001 5.915 ( 1.946 0.000 3.699) 4.180 5.943 ( -8.741 0.000 1.436) 8.858 6.090 ( 7.325 0.000 2.767) 7.830 6.235 ( -14.971 0.000 -10.498) 18.285 6.491 ( -4.350 0.000 4.540) 6.287 6.526 ( -3.527 0.000 -11.168) 11.712 6.597 ( 2.165 0.000 4.864) 5.324 6.652 ( -18.063 0.000 9.768) 20.535 6.818 ( 0.648 0.000 0.644) 0.913 6.866 ( 2.366 0.000 -5.003) 5.534 6.884 ( 3.057 0.000 -0.796) 3.159 7.335 ( 28.519 0.000 0.218) 28.520 7.373 ( -3.559 0.000 9.175) 9.841 7.608 ( 0.743 0.000 -7.565) 7.601 7.692 ( -0.237 0.000 -1.233) 1.255 7.960 ( -1.708 0.000 -7.034) 7.238 8.001 ( -5.376 0.000 -8.688) 10.216 8.115 ( 1.720 0.000 -8.627) 8.797 8.280 ( 6.007 0.000 0.945) 6.081 8.397 ( -2.092 0.000 3.003) 3.660 8.896 ( 5.044 0.000 -7.028) 8.651 8.944 ( -4.852 0.000 -8.782) 10.033 8.966 ( 9.248 0.000 -10.087) 13.685 9.049 ( -12.627 0.000 -7.423) 14.647 9.154 ( -10.591 0.000 -1.482) 10.694 9.433 ( 7.651 0.000 2.348) 8.003 9.585 ( -12.314 0.000 0.415) 12.321 9.868 ( 2.086 0.000 -16.149) 16.284 9.941 ( 5.791 0.000 -20.779) 21.571 10.304 ( -2.889 0.000 11.424) 11.783 10.611 ( 11.711 0.000 0.189) 11.712 10.861 ( -2.863 0.000 14.055) 14.344 10.990 ( -8.641 0.000 4.613) 9.795 11.399 ( -2.571 0.000 12.423) 12.687 11.590 ( 1.024 0.000 7.170) 7.243 12.108 ( 9.300 0.000 -6.378) 11.277 12.139 ( -12.267 0.000 6.178) 13.735 12.456 ( -0.253 0.000 7.903) 7.907 12.769 ( 4.035 0.000 4.314) 5.907 12.972 ( 0.864 0.000 -10.136) 10.173 13.111 ( -5.378 0.000 -1.638) 5.622 13.640 ( -4.547 0.000 11.829) 12.673 14.220 ( 13.707 0.000 13.720) 19.394 14.376 ( 2.387 0.000 4.971) 5.515 14.425 ( -5.468 0.000 -4.812) 7.283 14.764 ( 6.039 0.000 -8.321) 10.281 14.967 ( 2.263 0.000 16.388) 16.543 15.149 ( 3.338 0.000 1.673) 3.734 15.379 ( -0.116 0.000 12.462) 12.463 15.533 ( -1.847 0.000 -10.564) 10.724 16.006 ( 7.980 0.000 6.478) 10.279 16.244 ( -5.633 0.000 -6.172) 8.356 16.518 ( 6.457 0.000 9.611) 11.579 17.027 ( -0.949 0.000 -10.519) 10.562 17.303 ( 3.080 0.000 -6.584) 7.268 18.172 ( -30.130 0.000 -55.143) 62.838 18.339 ( -19.336 0.000 -60.587) 63.598 20.808 ( 1.759 0.000 5.359) 5.641 20.844 ( 6.980 0.000 5.053) 8.617 21.337 ( 0.887 0.000 5.097) 5.174 21.441 ( -1.215 0.000 7.371) 7.470 21.905 ( 3.350 0.000 -11.387) 11.870 22.115 ( 7.702 0.000 -11.859) 14.141 22.278 ( 3.881 0.000 7.666) 8.592 22.554 ( -7.780 0.000 7.270) 10.648 22.839 ( 2.389 0.000 -2.281) 3.303 22.933 ( 1.524 0.000 -5.103) 5.326 23.753 ( -1.077 0.000 -0.536) 1.203 23.831 ( -5.266 0.000 -0.962) 5.353 24.242 ( -7.099 0.000 10.295) 12.506 24.367 ( 9.915 0.000 5.517) 11.347 26.329 ( -9.533 0.000 4.647) 10.605 26.902 ( 0.846 0.000 -6.766) 6.818 27.176 ( 3.115 0.000 7.359) 7.991 27.548 ( 1.734 0.000 2.204) 2.804 ======================= Grid point 131 (62/128) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -19.945 0.000 -23.653) 30.940 1.744 ( -7.776 0.000 4.372) 8.921 1.926 ( -13.010 0.000 -37.601) 39.788 2.288 ( -8.713 0.000 -6.290) 10.746 2.416 ( 1.577 0.000 5.337) 5.565 2.684 ( -2.434 0.000 -6.674) 7.103 2.694 ( 1.564 0.000 2.296) 2.778 2.853 ( 3.540 0.000 4.344) 5.603 3.010 ( 11.584 0.000 -5.328) 12.750 3.173 ( 11.921 0.000 -3.138) 12.327 3.356 ( -13.307 0.000 2.854) 13.609 3.381 ( -14.588 0.000 9.636) 17.483 3.625 ( 5.929 0.000 5.715) 8.235 3.639 ( -15.265 0.000 -1.389) 15.328 4.639 ( -12.411 0.000 2.044) 12.578 4.804 ( 8.538 0.000 5.030) 9.909 4.963 ( 8.383 0.000 -2.561) 8.765 4.965 ( -13.789 0.000 -14.582) 20.069 5.362 ( 9.198 0.000 -5.103) 10.519 5.522 ( -4.167 0.000 -15.484) 16.035 5.717 ( -10.210 0.000 -1.877) 10.381 5.759 ( -9.501 0.000 11.523) 14.935 5.892 ( -15.117 0.000 1.183) 15.163 5.940 ( 4.194 0.000 -2.569) 4.918 6.255 ( 7.330 0.000 -1.918) 7.576 6.313 ( -14.562 0.000 -3.902) 15.076 6.415 ( -3.358 0.000 2.845) 4.402 6.622 ( -7.081 0.000 -1.343) 7.207 6.657 ( 7.677 0.000 4.623) 8.961 6.873 ( 11.664 0.000 2.942) 12.030 6.964 ( 7.539 0.000 -2.531) 7.952 6.991 ( 8.370 0.000 0.458) 8.383 7.472 ( -5.331 0.000 -9.066) 10.518 7.473 ( 7.128 0.000 6.754) 9.820 7.520 ( -13.735 0.000 -3.912) 14.281 7.761 ( 4.575 0.000 -0.598) 4.614 7.846 ( -11.057 0.000 -0.477) 11.067 7.950 ( 18.411 0.000 -1.053) 18.441 8.125 ( 7.436 0.000 -1.053) 7.511 8.312 ( -9.813 0.000 -2.028) 10.021 8.384 ( 5.552 0.000 -0.046) 5.552 8.505 ( -17.949 0.000 -5.760) 18.851 8.782 ( 0.377 0.000 -15.563) 15.568 9.006 ( -9.077 0.000 3.983) 9.912 9.080 ( 7.155 0.000 -4.825) 8.629 9.172 ( 10.872 0.000 -5.360) 12.121 9.415 ( 0.189 0.000 -3.937) 3.941 9.593 ( 8.794 0.000 -0.958) 8.846 9.785 ( 3.188 0.000 -12.950) 13.337 9.849 ( 5.856 0.000 -18.378) 19.288 10.338 ( -4.417 0.000 8.573) 9.644 10.754 ( -0.164 0.000 0.209) 0.266 10.914 ( 0.886 0.000 2.556) 2.705 11.039 ( 6.698 0.000 19.034) 20.178 11.426 ( -6.405 0.000 9.783) 11.693 11.656 ( -0.315 0.000 6.155) 6.163 11.941 ( -13.028 0.000 0.532) 13.039 12.278 ( 15.416 0.000 -3.308) 15.767 12.521 ( -1.485 0.000 7.493) 7.639 12.862 ( 3.017 0.000 1.841) 3.535 12.958 ( 4.296 0.000 -3.054) 5.271 13.053 ( -2.260 0.000 1.814) 2.898 13.641 ( -7.438 0.000 11.173) 13.423 14.259 ( -5.621 0.000 -5.364) 7.770 14.449 ( 3.686 0.000 0.115) 3.688 14.627 ( 14.372 0.000 16.582) 21.943 14.781 ( 4.501 0.000 -7.696) 8.915 15.170 ( 2.846 0.000 18.184) 18.405 15.225 ( 1.171 0.000 3.219) 3.426 15.427 ( 2.375 0.000 -10.361) 10.630 15.509 ( 1.311 0.000 14.058) 14.119 15.988 ( -11.243 0.000 -9.295) 14.588 16.204 ( 3.794 0.000 9.589) 10.312 16.698 ( 2.564 0.000 6.046) 6.567 16.864 ( -6.170 0.000 -10.160) 11.887 17.152 ( -9.201 0.000 -26.948) 28.475 17.284 ( -19.985 0.000 -39.433) 44.208 17.528 ( -13.364 0.000 -44.264) 46.238 20.882 ( 2.839 0.000 2.263) 3.631 20.943 ( 4.670 0.000 -2.196) 5.161 21.415 ( 1.036 0.000 5.481) 5.578 21.499 ( 0.088 0.000 8.288) 8.289 21.823 ( -0.228 0.000 -12.066) 12.068 22.135 ( 8.052 0.000 -13.279) 15.529 22.399 ( 1.998 0.000 7.285) 7.555 22.477 ( -9.226 0.000 7.794) 12.077 22.824 ( 0.220 0.000 -5.471) 5.475 22.929 ( 2.508 0.000 -3.657) 4.434 23.738 ( -0.149 0.000 -0.129) 0.197 23.772 ( -1.782 0.000 0.721) 1.922 24.204 ( -6.918 0.000 7.661) 10.322 24.621 ( 14.055 0.000 4.999) 14.917 26.246 ( -7.755 0.000 10.167) 12.787 26.881 ( 3.495 0.000 -5.842) 6.807 27.287 ( 2.269 0.000 6.710) 7.083 27.566 ( 0.173 0.000 -1.686) 1.694 ======================= Grid point 132 (63/128) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -23.666 0.000 -21.015) 31.650 1.420 ( -5.289 0.000 -16.030) 16.880 1.629 ( -20.291 0.000 11.238) 23.195 1.979 ( -17.722 0.000 -8.995) 19.874 2.350 ( -7.841 0.000 -0.224) 7.844 2.637 ( -0.998 0.000 -2.399) 2.598 2.820 ( 5.858 0.000 3.487) 6.817 2.975 ( 1.564 0.000 4.696) 4.949 3.052 ( -10.595 0.000 5.279) 11.837 3.178 ( -0.933 0.000 -4.141) 4.245 3.271 ( -7.975 0.000 9.982) 12.776 3.359 ( -13.652 0.000 5.809) 14.836 3.413 ( 14.169 0.000 -7.017) 15.812 3.733 ( 1.324 0.000 4.971) 5.144 4.485 ( -9.847 0.000 7.514) 12.387 4.518 ( -16.046 0.000 -13.278) 20.827 5.029 ( 10.547 0.000 -0.447) 10.557 5.092 ( 9.037 0.000 -2.782) 9.456 5.234 ( -12.521 0.000 -6.782) 14.239 5.452 ( 7.411 0.000 -6.056) 9.571 5.639 ( -14.790 0.000 12.656) 19.466 5.664 ( 0.905 0.000 -0.116) 0.913 5.731 ( -6.841 0.000 2.469) 7.273 5.894 ( -10.615 0.000 -2.904) 11.005 6.170 ( 4.579 0.000 0.332) 4.591 6.324 ( 5.354 0.000 -6.736) 8.605 6.456 ( -7.681 0.000 -3.562) 8.467 6.474 ( 5.495 0.000 6.354) 8.401 6.876 ( 13.167 0.000 2.137) 13.339 6.920 ( -16.533 0.000 -3.980) 17.005 7.049 ( 2.788 0.000 3.159) 4.213 7.068 ( 6.338 0.000 -1.873) 6.609 7.227 ( -11.213 0.000 -10.210) 15.165 7.457 ( 10.663 0.000 4.445) 11.552 7.682 ( -7.025 0.000 2.708) 7.529 7.702 ( -4.815 0.000 -0.609) 4.853 7.709 ( 11.483 0.000 2.331) 11.717 8.059 ( -11.001 0.000 -6.386) 12.720 8.239 ( -5.687 0.000 -6.318) 8.501 8.268 ( 5.846 0.000 4.367) 7.297 8.397 ( 17.487 0.000 8.029) 19.243 8.445 ( -0.616 0.000 1.057) 1.224 8.706 ( 4.851 0.000 -7.616) 9.029 8.922 ( -1.442 0.000 -1.123) 1.828 9.096 ( -4.141 0.000 -3.290) 5.289 9.153 ( -1.373 0.000 3.035) 3.331 9.622 ( 23.572 0.000 -10.972) 26.000 9.687 ( 6.394 0.000 -4.637) 7.898 9.737 ( 4.155 0.000 -9.286) 10.173 9.846 ( 9.788 0.000 -11.048) 14.760 10.307 ( -5.852 0.000 4.494) 7.379 10.651 ( -10.002 0.000 4.911) 11.143 11.008 ( 6.568 0.000 -7.346) 9.854 11.379 ( -7.248 0.000 8.607) 11.253 11.416 ( 14.554 0.000 17.157) 22.498 11.700 ( 0.853 0.000 5.321) 5.389 11.761 ( -8.022 0.000 0.756) 8.058 12.528 ( 15.876 0.000 -2.098) 16.014 12.535 ( -3.554 0.000 5.371) 6.440 12.896 ( 1.423 0.000 -2.566) 2.934 13.047 ( -1.034 0.000 1.674) 1.968 13.048 ( 7.496 0.000 0.437) 7.508 13.607 ( -10.541 0.000 17.053) 20.048 14.141 ( -2.266 0.000 -4.811) 5.318 14.505 ( 4.520 0.000 -3.434) 5.676 14.769 ( 2.253 0.000 -7.854) 8.171 14.966 ( 8.189 0.000 12.642) 15.062 15.119 ( -4.632 0.000 -15.989) 16.647 15.387 ( 4.130 0.000 12.178) 12.859 15.524 ( 6.679 0.000 5.020) 8.355 15.675 ( 3.439 0.000 13.609) 14.037 15.705 ( -9.838 0.000 -7.118) 12.143 16.343 ( -1.026 0.000 13.171) 13.211 16.506 ( -19.176 0.000 -40.860) 45.136 16.563 ( -7.320 0.000 -12.724) 14.679 16.711 ( -2.592 0.000 2.148) 3.366 16.978 ( -0.961 0.000 1.904) 2.132 17.107 ( -13.427 0.000 -16.349) 21.156 20.946 ( 3.405 0.000 -0.094) 3.407 20.991 ( 5.008 0.000 -4.569) 6.779 21.451 ( -2.093 0.000 5.198) 5.604 21.585 ( 1.162 0.000 6.510) 6.613 21.675 ( -3.811 0.000 -13.332) 13.865 22.142 ( 7.785 0.000 -14.226) 16.217 22.368 ( -10.903 0.000 8.199) 13.642 22.499 ( 0.859 0.000 6.792) 6.847 22.764 ( 0.107 0.000 -7.661) 7.662 22.935 ( 1.751 0.000 -3.193) 3.642 23.750 ( 1.130 0.000 0.894) 1.441 23.778 ( 1.103 0.000 1.599) 1.942 24.153 ( -5.835 0.000 4.833) 7.576 24.902 ( 15.671 0.000 -0.529) 15.680 26.273 ( -3.144 0.000 16.595) 16.890 26.908 ( 5.701 0.000 -5.947) 8.238 27.370 ( 0.424 0.000 6.208) 6.222 27.531 ( -0.639 0.000 -4.447) 4.493 ======================= Grid point 133 (64/128) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -1.356 0.000 32.345) 32.374 1.354 ( -22.269 0.000 16.572) 27.758 1.527 ( 7.616 0.000 24.228) 25.397 1.645 ( -8.568 0.000 -1.628) 8.722 2.221 ( -5.943 0.000 0.084) 5.944 2.576 ( -2.919 0.000 -3.776) 4.772 2.800 ( -29.666 0.000 15.899) 33.658 2.811 ( -11.463 0.000 1.078) 11.513 2.972 ( -5.557 0.000 8.519) 10.171 3.103 ( -11.530 0.000 14.266) 18.343 3.319 ( 9.698 0.000 -6.808) 11.849 3.324 ( 6.548 0.000 1.211) 6.659 3.619 ( 17.656 0.000 -12.342) 21.542 3.791 ( -0.731 0.000 7.326) 7.362 4.359 ( 1.035 0.000 17.839) 17.869 4.436 ( -5.207 0.000 7.655) 9.258 5.022 ( -9.460 0.000 1.460) 9.572 5.131 ( 4.338 0.000 -6.393) 7.726 5.157 ( -2.741 0.000 0.183) 2.747 5.451 ( -4.254 0.000 -0.789) 4.326 5.504 ( -7.670 0.000 6.418) 10.001 5.638 ( -8.598 0.000 8.496) 12.088 5.738 ( 7.580 0.000 -5.351) 9.279 5.870 ( 7.640 0.000 6.345) 9.931 6.242 ( -4.965 0.000 -12.420) 13.376 6.303 ( 5.590 0.000 4.980) 7.486 6.342 ( -1.216 0.000 -4.096) 4.272 6.678 ( -4.798 0.000 1.767) 5.113 6.698 ( 11.099 0.000 7.262) 13.264 6.941 ( -7.082 0.000 -4.518) 8.401 7.083 ( -1.024 0.000 1.518) 1.831 7.094 ( 2.929 0.000 -0.752) 3.024 7.164 ( 8.127 0.000 1.756) 8.315 7.571 ( -8.162 0.000 3.615) 8.927 7.575 ( -9.599 0.000 -2.156) 9.839 7.708 ( 11.519 0.000 2.580) 11.804 7.861 ( -3.834 0.000 -6.414) 7.473 7.895 ( 4.134 0.000 3.741) 5.575 8.092 ( -2.118 0.000 -7.067) 7.378 8.337 ( 1.011 0.000 -5.676) 5.766 8.388 ( -7.095 0.000 6.416) 9.566 8.714 ( 7.225 0.000 6.374) 9.635 8.803 ( 6.350 0.000 3.221) 7.121 8.983 ( 13.614 0.000 -5.810) 14.802 9.019 ( -1.192 0.000 2.869) 3.106 9.140 ( -1.762 0.000 -1.762) 2.492 9.695 ( 2.571 0.000 -5.770) 6.317 9.790 ( 9.004 0.000 -0.114) 9.005 9.943 ( 9.939 0.000 -5.472) 11.346 9.960 ( 23.139 0.000 -9.524) 25.023 10.246 ( -3.813 0.000 1.829) 4.229 10.567 ( -7.726 0.000 10.767) 13.252 10.920 ( -4.136 0.000 -13.169) 13.803 11.395 ( 0.081 0.000 5.318) 5.319 11.563 ( -5.781 0.000 3.952) 7.003 11.695 ( -2.260 0.000 3.907) 4.514 11.830 ( 6.495 0.000 -16.898) 18.104 12.513 ( -3.368 0.000 3.533) 4.881 12.720 ( 7.295 0.000 -3.450) 8.070 12.867 ( 1.609 0.000 -7.178) 7.356 13.023 ( -2.287 0.000 -0.358) 2.315 13.214 ( 10.694 0.000 2.080) 10.894 13.735 ( 1.600 0.000 35.439) 35.475 14.098 ( 1.704 0.000 -4.356) 4.678 14.508 ( 1.553 0.000 -11.386) 11.492 14.702 ( -0.773 0.000 -8.808) 8.842 14.904 ( 0.031 0.000 -16.145) 16.145 15.110 ( -2.785 0.000 3.411) 4.403 15.358 ( -1.740 0.000 -7.185) 7.393 15.378 ( -9.617 0.000 -10.455) 14.206 15.761 ( 4.684 0.000 2.079) 5.125 15.830 ( -13.627 0.000 -4.804) 14.449 16.034 ( 3.240 0.000 7.087) 7.792 16.320 ( -7.782 0.000 10.084) 12.738 16.649 ( 7.824 0.000 20.712) 22.140 16.658 ( -21.443 0.000 -15.105) 26.229 17.024 ( 1.070 0.000 9.418) 9.478 17.123 ( 31.879 0.000 46.059) 56.015 20.979 ( 1.761 0.000 -3.684) 4.084 21.031 ( 5.206 0.000 -5.810) 7.801 21.450 ( -3.148 0.000 4.496) 5.489 21.450 ( -8.745 0.000 -11.962) 14.817 21.636 ( -1.321 0.000 4.331) 4.528 22.139 ( 7.326 0.000 -14.195) 15.974 22.256 ( -10.872 0.000 8.012) 13.505 22.566 ( -0.216 0.000 6.726) 6.729 22.701 ( 1.712 0.000 -8.591) 8.760 22.930 ( 1.122 0.000 -2.953) 3.159 23.793 ( 2.142 0.000 2.396) 3.214 23.831 ( 3.414 0.000 1.310) 3.656 24.098 ( -4.570 0.000 2.526) 5.222 25.100 ( 11.898 0.000 -8.766) 14.779 26.424 ( 1.849 0.000 14.909) 15.024 26.952 ( 6.023 0.000 -6.534) 8.886 27.406 ( -2.500 0.000 4.994) 5.584 27.474 ( -0.286 0.000 -5.658) 5.665 ======================= Grid point 134 (65/128) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -17.959 0.000 24.621) 30.474 1.307 ( 8.340 0.000 31.973) 33.043 1.827 ( 11.861 0.000 25.318) 27.959 1.872 ( 4.857 0.000 9.961) 11.082 2.334 ( 11.049 0.000 27.492) 29.629 2.422 ( -33.319 0.000 27.953) 43.492 2.506 ( 0.519 0.000 -4.126) 4.158 2.568 ( -16.598 0.000 2.754) 16.825 2.920 ( -10.143 0.000 8.471) 13.215 3.054 ( -5.130 0.000 1.688) 5.400 3.451 ( 7.783 0.000 -2.255) 8.103 3.469 ( 12.297 0.000 -1.985) 12.456 3.783 ( 16.343 0.000 -15.169) 22.298 3.837 ( -2.352 0.000 7.468) 7.830 4.426 ( -2.885 0.000 4.850) 5.643 4.877 ( 14.984 0.000 16.008) 21.927 4.957 ( 0.425 0.000 5.511) 5.528 5.049 ( -5.794 0.000 0.411) 5.809 5.124 ( 12.706 0.000 8.346) 15.202 5.359 ( -7.500 0.000 6.800) 10.123 5.521 ( -8.544 0.000 -1.054) 8.609 5.536 ( 4.092 0.000 -2.169) 4.631 5.841 ( 4.901 0.000 3.794) 6.198 6.076 ( 3.636 0.000 7.587) 8.414 6.103 ( 0.383 0.000 -2.780) 2.806 6.349 ( 7.749 0.000 -6.319) 9.999 6.388 ( -1.371 0.000 6.004) 6.159 6.718 ( 6.309 0.000 -1.902) 6.589 6.733 ( 3.075 0.000 -8.168) 8.728 6.991 ( -11.006 0.000 -1.772) 11.148 7.052 ( -2.785 0.000 -0.797) 2.897 7.102 ( 5.553 0.000 12.607) 13.776 7.211 ( -4.389 0.000 -1.767) 4.731 7.471 ( -6.992 0.000 2.758) 7.517 7.542 ( 12.248 0.000 1.211) 12.308 7.816 ( -2.673 0.000 0.401) 2.703 7.826 ( 2.206 0.000 0.806) 2.348 7.941 ( -2.061 0.000 8.284) 8.537 8.052 ( 5.443 0.000 -7.893) 9.588 8.210 ( -6.380 0.000 -10.169) 12.005 8.385 ( 1.405 0.000 4.675) 4.881 8.709 ( -9.101 0.000 4.278) 10.056 8.927 ( 1.395 0.000 9.316) 9.420 9.001 ( -9.753 0.000 2.344) 10.031 9.213 ( 14.533 0.000 -1.384) 14.599 9.248 ( 23.753 0.000 -8.807) 25.333 9.696 ( 1.854 0.000 -1.700) 2.516 9.944 ( 6.508 0.000 1.472) 6.673 10.012 ( -1.850 0.000 0.287) 1.872 10.223 ( 15.897 0.000 -6.621) 17.220 10.291 ( 9.713 0.000 1.124) 9.778 10.595 ( -4.563 0.000 17.070) 17.670 10.707 ( -3.557 0.000 -15.993) 16.384 11.291 ( -35.139 0.000 -22.314) 41.625 11.410 ( -2.570 0.000 1.420) 2.936 11.470 ( -12.546 0.000 2.023) 12.708 11.750 ( 2.963 0.000 5.178) 5.965 12.500 ( -1.599 0.000 3.206) 3.582 12.669 ( -1.954 0.000 -10.496) 10.676 12.895 ( 3.360 0.000 0.430) 3.388 12.990 ( -0.908 0.000 -2.066) 2.256 13.442 ( 12.293 0.000 4.689) 13.157 14.044 ( -0.564 0.000 4.764) 4.798 14.149 ( 5.934 0.000 8.341) 10.237 14.304 ( -5.006 0.000 -21.801) 22.369 14.636 ( 3.456 0.000 -11.675) 12.176 14.852 ( 3.837 0.000 -5.162) 6.432 14.956 ( -7.180 0.000 -4.131) 8.284 15.157 ( -4.953 0.000 -9.264) 10.505 15.360 ( -21.677 0.000 -10.976) 24.298 15.567 ( 15.064 0.000 11.435) 18.913 15.782 ( 2.155 0.000 -6.069) 6.440 16.134 ( -21.387 0.000 -11.311) 24.194 16.303 ( -8.156 0.000 12.318) 14.773 16.373 ( 13.157 0.000 15.072) 20.007 16.836 ( -2.764 0.000 5.221) 5.907 17.458 ( 20.410 0.000 47.867) 52.036 18.639 ( 82.949 0.000 53.409) 98.656 20.892 ( -5.719 0.000 -10.385) 11.856 21.053 ( 3.802 0.000 -6.789) 7.782 21.203 ( -10.675 0.000 -3.182) 11.140 21.429 ( -2.856 0.000 1.934) 3.449 21.615 ( -5.118 0.000 3.256) 6.066 22.130 ( 6.304 0.000 -12.882) 14.342 22.151 ( -9.952 0.000 7.333) 12.362 22.614 ( -1.239 0.000 6.607) 6.722 22.676 ( 4.587 0.000 -8.151) 9.353 22.923 ( 1.230 0.000 -2.594) 2.870 23.856 ( 1.747 0.000 3.044) 3.510 23.911 ( 5.255 0.000 -0.291) 5.263 24.053 ( -2.985 0.000 2.508) 3.899 25.119 ( 2.671 0.000 -15.485) 15.714 26.499 ( -6.953 0.000 7.559) 10.271 26.985 ( 4.759 0.000 -6.187) 7.805 27.371 ( -5.734 0.000 2.787) 6.375 27.425 ( 0.912 0.000 -6.189) 6.256 ======================= Grid point 135 (66/128) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -8.071 12.688 21.259) 26.040 1.568 ( -14.612 5.177 25.173) 29.563 1.948 ( 6.884 -3.092 3.557) 8.343 2.079 ( -0.158 -1.280 4.740) 4.912 2.293 ( -4.542 0.190 1.522) 4.793 2.539 ( 5.479 1.030 1.103) 5.683 2.666 ( -2.142 8.037 34.179) 35.177 2.786 ( -2.577 -7.172 15.314) 17.106 2.901 ( 4.939 9.448 22.937) 25.293 3.050 ( 1.836 4.745 -2.168) 5.531 3.498 ( 3.092 -6.715 8.135) 10.992 3.667 ( 8.912 0.048 0.745) 8.944 3.793 ( 1.499 -1.244 -1.083) 2.229 3.943 ( 2.171 5.947 -4.969) 8.048 4.458 ( 2.562 1.898 3.930) 5.061 4.670 ( -5.783 -9.813 -12.082) 16.605 4.964 ( -0.038 -3.740 7.787) 8.639 5.094 ( 0.506 -0.780 0.751) 1.195 5.302 ( 1.358 -3.690 1.277) 4.134 5.419 ( -2.145 5.132 1.544) 5.772 5.456 ( 3.672 -3.235 -4.522) 6.663 5.690 ( 17.515 -9.240 6.879) 20.963 5.872 ( -5.563 -7.243 6.703) 11.328 6.037 ( 2.571 -0.652 4.532) 5.252 6.198 ( 13.415 -5.014 4.558) 15.029 6.347 ( 7.235 -8.586 -3.171) 11.667 6.510 ( 1.855 -0.881 -5.671) 6.031 6.621 ( 10.180 -8.879 -0.316) 13.511 6.780 ( -8.563 1.704 -2.522) 9.088 6.819 ( 1.297 0.684 -5.461) 5.654 6.929 ( -0.383 -0.777 -0.449) 0.975 7.123 ( -3.590 -3.708 -0.603) 5.196 7.272 ( -1.872 5.899 2.304) 6.604 7.450 ( -5.034 4.322 -0.312) 6.642 7.633 ( -10.086 -4.608 3.963) 11.776 7.815 ( 2.200 0.687 3.363) 4.077 7.890 ( 4.902 -0.438 5.547) 7.416 7.982 ( -10.520 4.016 -3.861) 11.904 8.090 ( 2.095 7.828 -2.319) 8.428 8.242 ( 9.276 7.591 -1.371) 12.065 8.534 ( 5.157 2.128 4.419) 7.117 8.636 ( -4.543 4.672 2.537) 6.993 8.753 ( -10.216 -4.926 2.465) 11.606 9.051 ( -2.558 2.739 8.757) 9.525 9.441 ( 15.041 -5.913 -1.186) 16.205 9.536 ( 12.001 -1.135 -1.738) 12.179 9.691 ( 4.469 -5.054 4.537) 8.130 9.831 ( -10.276 -12.140 -0.173) 15.907 9.914 ( -3.835 0.763 0.214) 3.916 10.172 ( -0.585 -1.884 -4.486) 4.901 10.383 ( 5.061 2.567 -1.312) 5.825 10.530 ( 10.142 -6.513 9.138) 15.126 10.777 ( 1.594 5.961 8.527) 10.526 10.982 ( -6.881 14.726 -13.348) 21.033 11.130 ( -10.745 -12.265 0.036) 16.306 11.405 ( -6.398 0.270 4.054) 7.579 12.016 ( -5.311 15.707 1.015) 16.612 12.576 ( -1.469 5.594 2.514) 6.306 12.597 ( -2.772 7.398 -11.618) 14.049 12.931 ( -1.925 1.761 1.320) 2.924 13.033 ( 0.929 6.000 -1.537) 6.263 13.592 ( 4.834 -7.760 4.289) 10.098 13.828 ( -1.041 -9.961 -9.642) 13.902 14.129 ( -6.358 4.631 -5.080) 9.364 14.343 ( -1.002 6.210 2.255) 6.682 14.526 ( -8.979 -10.465 -11.604) 18.022 14.588 ( 1.503 -3.855 -14.777) 15.346 14.803 ( 6.097 -9.225 -3.193) 11.510 14.996 ( -5.351 -0.229 -3.010) 6.144 15.219 ( -1.425 9.693 -8.764) 13.145 15.505 ( -14.162 -4.671 -1.885) 15.031 15.815 ( 0.117 3.490 -6.527) 7.402 16.134 ( 11.278 2.671 10.006) 15.312 16.387 ( 0.742 10.405 3.747) 11.084 16.675 ( 7.372 -2.976 7.967) 11.255 16.828 ( 1.583 2.610 3.514) 4.655 18.398 ( 25.891 3.255 58.839) 64.366 19.886 ( 51.828 -39.709 30.718) 72.157 20.529 ( -7.559 -1.101 -3.627) 8.456 20.851 ( -5.893 -5.280 -7.107) 10.636 21.329 ( 12.211 6.886 -8.112) 16.197 21.469 ( -10.796 8.741 -9.008) 16.556 21.557 ( -5.813 2.178 6.188) 8.765 21.935 ( -0.156 -6.619 -1.924) 6.895 22.264 ( -2.632 8.299 -2.950) 9.193 22.530 ( 0.374 -5.499 2.329) 5.983 22.811 ( 4.079 5.887 -2.007) 7.438 22.943 ( 1.548 1.298 -2.611) 3.302 23.888 ( -0.015 0.983 0.525) 1.115 24.001 ( 4.654 0.568 3.366) 5.771 24.117 ( -0.897 5.229 1.333) 5.471 24.830 ( -10.060 -6.434 -14.363) 18.679 26.447 ( -7.306 3.290 12.665) 14.987 26.959 ( 3.985 -4.796 -3.663) 7.232 27.265 ( -7.517 -0.720 -0.983) 7.615 27.369 ( -0.119 -2.251 -6.416) 6.801 ======================= Grid point 136 (67/128) ======================= q-point: ( 0.11 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -10.747 9.626 15.993) 21.539 1.547 ( -7.010 6.506 22.408) 24.363 2.072 ( -5.575 -8.522 4.790) 11.254 2.106 ( 6.767 -1.145 5.570) 8.839 2.315 ( 6.469 4.037 -1.958) 7.872 2.556 ( -5.173 2.255 3.066) 6.422 2.742 ( -4.867 0.668 6.638) 8.258 2.913 ( 9.786 4.987 -3.052) 11.400 3.091 ( 0.775 0.932 0.981) 1.560 3.283 ( 9.437 1.668 21.251) 23.312 3.663 ( -7.479 -2.253 2.433) 8.181 3.710 ( 2.261 -9.244 11.599) 15.003 3.906 ( 7.626 3.027 7.744) 11.283 3.962 ( 4.945 2.332 9.315) 10.801 4.416 ( -6.932 -8.171 -18.696) 21.549 4.532 ( 0.255 6.167 3.092) 6.903 4.975 ( -7.396 -13.113 2.047) 15.193 5.166 ( 6.121 -7.729 -0.579) 9.876 5.301 ( 2.199 3.564 -2.238) 4.748 5.456 ( 3.215 2.662 2.466) 4.848 5.513 ( 8.920 11.299 -2.838) 14.673 5.717 ( -8.619 -1.754 -2.299) 9.091 5.886 ( 3.971 -4.433 4.137) 7.248 6.178 ( 3.616 -3.676 6.992) 8.688 6.359 ( 1.725 -3.413 -8.791) 9.587 6.479 ( 2.354 -5.540 5.475) 8.137 6.516 ( 12.356 -2.647 -7.060) 14.475 6.646 ( -4.282 -2.007 -2.416) 5.310 6.817 ( 6.865 -4.591 -5.060) 9.686 6.848 ( 8.586 -2.912 -2.212) 9.332 6.939 ( 3.852 -3.627 -0.041) 5.291 7.098 ( 4.366 -5.175 -3.798) 7.763 7.243 ( -4.648 3.338 3.245) 6.578 7.339 ( -9.047 3.355 0.646) 9.671 7.547 ( -3.466 -5.406 3.002) 7.089 7.729 ( -10.542 4.671 -4.883) 12.522 7.833 ( -2.824 -2.897 2.619) 4.819 7.923 ( -4.730 0.296 5.823) 7.508 8.152 ( 5.703 9.533 -2.382) 11.361 8.367 ( 5.163 4.843 -4.465) 8.370 8.571 ( -0.295 0.880 2.711) 2.866 8.622 ( -4.225 -3.236 5.386) 7.572 8.723 ( 4.413 8.753 2.204) 10.047 9.031 ( -9.257 3.037 9.202) 13.401 9.556 ( -7.860 -7.613 8.363) 13.772 9.645 ( 1.851 -4.670 3.463) 6.102 9.752 ( 8.592 -6.438 -6.922) 12.774 9.816 ( 2.512 -4.762 0.478) 5.405 9.985 ( 10.607 7.418 4.079) 13.571 10.084 ( -0.564 0.958 -12.014) 12.066 10.331 ( -8.526 9.026 -4.195) 13.106 10.666 ( -2.586 3.424 -7.640) 8.762 10.794 ( 3.977 3.378 3.974) 6.559 10.935 ( -2.999 -8.973 -1.541) 9.586 11.034 ( 0.706 -4.771 14.208) 15.004 11.351 ( -5.397 1.928 5.907) 8.230 12.025 ( 0.089 7.062 7.290) 10.150 12.433 ( -3.440 7.654 -11.886) 14.550 12.567 ( -3.316 2.011 3.833) 5.453 12.825 ( -6.612 3.011 -5.363) 9.030 13.110 ( 2.965 2.047 10.113) 10.736 13.531 ( -3.100 -6.435 -13.672) 15.425 13.806 ( -6.665 -6.771 4.314) 10.435 13.975 ( -3.112 -1.182 -2.692) 4.281 14.176 ( -10.852 -0.771 -13.397) 17.258 14.406 ( 1.967 2.142 4.848) 5.654 14.588 ( 9.070 -1.784 -10.846) 14.251 14.872 ( -4.929 -2.326 -1.865) 5.761 14.885 ( 4.847 -6.791 -0.521) 8.360 15.245 ( 1.439 -2.365 1.852) 3.331 15.353 ( 3.765 6.871 -2.158) 8.127 15.803 ( 3.979 1.528 -4.000) 5.845 16.154 ( -9.579 5.470 2.137) 11.236 16.574 ( 8.301 -0.327 -0.939) 8.361 16.743 ( 4.974 5.504 5.081) 8.992 17.032 ( 12.900 2.148 1.374) 13.149 19.333 ( 23.235 2.828 51.351) 56.434 20.232 ( -10.131 -10.702 -3.094) 15.058 20.549 ( -6.781 -8.422 -13.259) 17.109 20.829 ( 14.274 -3.164 -0.179) 14.621 21.155 ( -10.517 -3.263 -11.839) 16.169 21.469 ( -2.206 -1.941 2.568) 3.902 21.566 ( 14.523 8.086 -3.385) 16.964 21.940 ( 1.216 -4.316 1.471) 4.719 22.198 ( -0.811 6.401 -4.931) 8.121 22.542 ( -1.987 -5.896 3.293) 7.040 22.858 ( 3.281 7.053 -1.973) 8.025 22.959 ( 3.027 0.874 -2.790) 4.208 23.874 ( -1.617 2.592 -0.467) 3.090 24.085 ( 3.921 3.108 -2.202) 5.466 24.141 ( -1.991 -0.190 10.354) 10.546 24.491 ( -15.309 -3.398 -9.569) 18.370 26.469 ( -5.681 1.870 15.510) 16.624 26.964 ( -1.817 -6.135 -2.460) 6.855 27.148 ( -2.341 1.063 -2.477) 3.571 27.342 ( 2.902 -2.845 -4.936) 6.393 ======================= Grid point 137 (68/128) ======================= q-point: ( 0.22 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -3.956 -0.596 9.415) 10.230 1.709 ( 5.338 5.549 12.566) 14.737 2.042 ( -1.048 -7.836 3.025) 8.464 2.284 ( 7.472 -0.492 4.916) 8.958 2.372 ( -1.080 3.885 4.627) 6.137 2.444 ( -7.560 -1.639 0.082) 7.736 2.756 ( 0.192 -3.307 3.785) 5.030 3.010 ( 8.525 5.220 -9.548) 13.823 3.122 ( 4.153 2.998 -1.948) 5.480 3.428 ( -6.178 -3.593 1.434) 7.290 3.656 ( 2.345 0.910 3.917) 4.655 3.697 ( -2.579 -2.306 2.709) 4.395 4.046 ( -9.709 -8.581 -16.538) 21.009 4.181 ( 5.467 -0.926 4.984) 7.455 4.233 ( 6.038 -7.025 18.260) 20.475 4.486 ( -5.843 6.143 -8.066) 11.702 4.783 ( -10.691 -13.303 5.275) 17.863 5.263 ( 3.542 -6.398 0.603) 7.337 5.343 ( 5.299 2.632 -7.341) 9.429 5.557 ( 3.623 3.332 3.472) 6.023 5.591 ( 4.491 6.654 2.435) 8.389 5.718 ( 8.181 9.756 -1.339) 12.802 5.949 ( -1.787 3.922 5.346) 6.867 6.256 ( 3.633 -7.639 -1.575) 8.605 6.370 ( 0.892 -7.710 -5.814) 9.698 6.406 ( 0.351 -1.585 -1.939) 2.529 6.594 ( -0.020 -1.390 -1.734) 2.223 6.697 ( 9.501 4.612 -1.657) 10.691 6.798 ( -3.538 -2.425 -0.756) 4.356 6.868 ( 1.064 2.036 -2.623) 3.487 6.985 ( -4.837 -2.996 0.626) 5.724 7.114 ( -12.309 1.454 1.638) 12.503 7.179 ( -4.580 -1.762 0.473) 4.930 7.315 ( 16.125 -8.617 -2.876) 18.508 7.496 ( -7.633 0.511 2.624) 8.087 7.617 ( 1.251 -3.113 -3.805) 5.073 7.815 ( -1.595 2.515 4.368) 5.287 7.919 ( -0.331 -6.264 4.843) 7.925 8.207 ( 5.292 6.524 -6.556) 10.656 8.368 ( 4.426 3.414 -5.828) 8.075 8.596 ( -9.735 -1.133 6.486) 11.752 8.644 ( 3.816 0.866 0.599) 3.958 8.764 ( 3.231 9.138 0.122) 9.693 9.027 ( 2.885 6.098 3.854) 7.770 9.410 ( -10.956 -0.518 -0.989) 11.013 9.648 ( -3.423 -6.370 -4.990) 8.786 9.809 ( -2.068 -2.406 1.326) 3.438 9.893 ( 2.925 -3.960 8.202) 9.566 9.958 ( -2.115 0.948 -12.911) 13.117 10.098 ( -3.854 5.444 -13.260) 14.843 10.195 ( 7.730 4.776 -0.399) 9.096 10.470 ( -5.169 5.890 -11.887) 14.238 10.796 ( -9.243 -14.410 8.210) 18.987 10.976 ( 3.565 -2.767 3.096) 5.473 11.221 ( 3.369 -2.415 13.330) 13.959 11.332 ( -2.740 -0.053 6.286) 6.857 12.122 ( 1.669 6.631 9.309) 11.550 12.281 ( -3.183 7.207 -7.878) 11.141 12.534 ( -5.124 2.083 5.116) 7.534 12.686 ( -4.662 0.676 -1.162) 4.852 13.292 ( 3.852 -0.404 15.347) 15.829 13.339 ( -2.932 -0.540 -15.953) 16.229 13.557 ( -14.017 -4.055 -7.900) 16.593 13.954 ( -1.613 3.561 -7.385) 8.355 14.055 ( 0.315 -7.445 12.271) 14.357 14.493 ( 2.131 0.327 3.907) 4.463 14.662 ( 8.845 -1.634 -8.105) 12.108 14.802 ( -1.662 -0.664 0.348) 1.823 14.968 ( 4.460 -4.667 1.502) 6.628 15.237 ( -4.548 -1.933 9.074) 10.333 15.572 ( 18.696 5.400 -3.579) 19.787 15.871 ( 4.441 1.214 -0.667) 4.652 15.990 ( -6.417 5.610 -1.586) 8.669 16.547 ( -4.516 -6.813 -2.231) 8.473 16.977 ( 13.397 8.929 1.147) 16.140 17.213 ( 9.495 3.167 -3.326) 10.548 19.853 ( -12.923 -1.103 -26.737) 29.717 20.043 ( -8.495 -4.229 -5.799) 11.121 20.145 ( 2.525 5.710 2.654) 6.784 20.774 ( -8.744 6.665 3.798) 11.632 21.157 ( 9.040 -14.287 -3.827) 17.334 21.404 ( -6.595 -2.433 5.030) 8.644 21.826 ( 16.913 4.458 -6.017) 18.497 22.002 ( 2.510 -2.496 5.164) 6.261 22.146 ( 1.317 3.714 -7.228) 8.232 22.528 ( -3.518 -7.088 4.043) 8.886 22.878 ( 1.643 6.809 -2.513) 7.442 22.989 ( 2.964 2.527 -1.775) 4.280 23.830 ( -2.404 1.913 -1.159) 3.284 24.115 ( -3.272 1.076 4.463) 5.637 24.168 ( -4.615 -2.796 -6.276) 8.276 24.225 ( -6.155 0.471 9.338) 11.194 26.498 ( -6.073 -2.140 9.820) 11.743 26.860 ( -4.769 -9.384 -3.434) 11.072 27.153 ( 2.845 5.429 -0.718) 6.171 27.379 ( 3.798 -1.284 0.683) 4.067 ======================= Grid point 138 (69/128) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 6.241 -9.175 2.831) 11.452 1.931 ( 8.655 -1.075 7.332) 11.394 2.108 ( 5.221 -5.546 3.609) 8.429 2.250 ( -8.172 -1.161 -2.102) 8.517 2.403 ( -2.290 3.483 9.702) 10.560 2.511 ( 8.643 -4.510 3.576) 10.384 2.797 ( 0.489 -5.413 2.516) 5.989 3.050 ( 4.227 0.611 -5.545) 6.999 3.090 ( -0.612 3.041 -15.932) 16.231 3.326 ( -3.844 -5.145 -3.992) 7.562 3.524 ( -9.473 0.056 -21.771) 23.743 3.643 ( -5.660 -0.358 0.847) 5.734 3.832 ( -1.743 -5.054 -3.737) 6.523 4.024 ( -14.125 -2.331 -12.622) 19.085 4.441 ( 3.277 -3.158 10.706) 11.633 4.500 ( 5.239 -1.224 11.378) 12.586 4.807 ( 1.971 -9.576 9.108) 13.362 5.165 ( -5.264 -3.835 -8.512) 10.718 5.445 ( 6.663 -0.764 -3.395) 7.517 5.637 ( 0.915 5.462 2.136) 5.935 5.721 ( 1.346 2.199 8.589) 8.967 5.806 ( 6.806 5.577 -5.842) 10.562 5.956 ( 1.019 8.807 3.181) 9.419 6.190 ( -13.787 -2.673 1.016) 14.081 6.301 ( 4.482 -6.175 -4.245) 8.732 6.510 ( 6.146 -3.485 -2.982) 7.669 6.556 ( -4.595 -2.286 0.947) 5.219 6.745 ( -4.495 -3.012 1.537) 5.625 6.801 ( -5.762 9.286 -3.501) 11.476 6.833 ( -2.993 0.272 -0.514) 3.049 6.908 ( 15.127 2.119 -3.683) 15.712 7.005 ( -5.282 5.196 7.295) 10.398 7.089 ( -5.791 6.550 -0.985) 8.798 7.407 ( -4.855 1.019 4.583) 6.753 7.500 ( 5.754 -7.349 -0.535) 9.349 7.601 ( 2.111 -10.773 -5.111) 12.109 7.856 ( 4.002 2.698 -1.086) 4.948 8.011 ( 6.625 -10.576 -0.088) 12.479 8.195 ( -0.199 -3.333 -11.312) 11.795 8.381 ( -8.486 -0.796 2.300) 8.828 8.440 ( 3.582 13.965 -2.791) 14.685 8.756 ( 9.761 2.895 -3.700) 10.832 8.859 ( 5.942 3.095 -0.272) 6.705 9.090 ( -0.481 3.423 -2.405) 4.211 9.265 ( -0.813 0.653 -3.311) 3.471 9.439 ( -12.451 -2.122 -6.660) 14.279 9.606 ( -19.893 3.604 -10.157) 22.624 9.760 ( -6.614 2.842 2.029) 7.479 9.982 ( 4.789 -1.329 -8.976) 10.260 10.031 ( 3.342 -1.240 -14.761) 15.185 10.192 ( -1.704 -1.065 1.450) 2.478 10.462 ( 8.731 2.273 -0.968) 9.074 10.697 ( -10.239 -13.571 9.113) 19.289 11.000 ( -3.309 -5.318 1.384) 6.414 11.351 ( -0.319 2.122 11.614) 11.811 11.414 ( 3.393 -6.816 7.828) 10.920 12.165 ( 0.887 7.769 -5.429) 9.519 12.253 ( -3.087 7.173 11.623) 14.003 12.502 ( -3.979 5.379 6.619) 9.412 12.676 ( 1.340 0.001 4.755) 4.941 13.155 ( -2.117 3.586 -14.264) 14.860 13.254 ( -9.673 -2.632 -5.796) 11.580 13.533 ( 1.518 -1.256 17.337) 17.449 13.940 ( 5.139 0.564 -0.647) 5.210 14.194 ( 1.197 -7.717 13.525) 15.618 14.498 ( -1.962 -4.236 -3.487) 5.826 14.728 ( 6.955 -0.296 -5.039) 8.594 14.847 ( 2.650 3.972 6.009) 7.675 15.059 ( 4.456 -2.675 1.671) 5.460 15.272 ( -2.133 -1.540 10.606) 10.927 15.751 ( -5.732 6.696 -8.551) 12.281 15.831 ( 12.550 3.871 1.000) 13.172 16.120 ( 10.878 -2.496 5.704) 12.534 16.429 ( -6.001 -7.644 -2.758) 10.102 17.144 ( 7.414 8.170 -4.876) 12.062 17.303 ( 6.189 3.908 -4.674) 8.685 19.179 ( -23.082 0.318 -51.141) 56.110 19.233 ( -26.589 1.916 -51.584) 58.065 20.595 ( 12.459 2.038 17.996) 21.983 20.763 ( -1.058 2.896 8.669) 9.201 21.229 ( 2.921 -7.787 -2.142) 8.588 21.376 ( -2.053 -2.777 5.362) 6.377 21.968 ( 6.076 5.462 -6.046) 10.164 22.118 ( 4.737 0.666 -3.860) 6.147 22.128 ( 6.093 0.015 0.649) 6.128 22.499 ( -4.761 -8.351 4.689) 10.696 22.881 ( 1.516 5.685 -1.917) 6.189 23.018 ( 1.754 5.449 -1.083) 5.826 23.783 ( -1.990 0.300 -0.786) 2.161 23.942 ( -9.310 -2.701 -1.237) 9.772 24.199 ( 2.546 0.211 4.701) 5.350 24.251 ( -3.867 0.237 9.896) 10.627 26.426 ( -8.653 -2.794 3.176) 9.631 26.783 ( -1.202 -12.019 -2.890) 12.420 27.206 ( 2.790 8.029 1.845) 8.698 27.468 ( 3.545 -0.625 3.974) 5.362 ======================= Grid point 139 (70/128) ======================= q-point: (-0.56 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 9.902 -8.191 4.747) 13.699 1.999 ( -10.898 -6.980 -8.316) 15.383 2.103 ( 6.099 -7.675 1.400) 9.903 2.337 ( 6.944 -2.048 8.630) 11.264 2.382 ( -5.753 -3.200 -8.751) 10.950 2.645 ( 1.614 -3.123 -4.594) 5.785 2.757 ( -2.048 -2.320 -8.739) 9.271 2.913 ( 0.646 1.623 -7.368) 7.572 2.999 ( -9.088 -4.055 -16.319) 19.114 3.055 ( 1.683 -2.993 -8.693) 9.346 3.379 ( -1.491 -6.641 2.397) 7.216 3.580 ( -4.597 4.533 2.804) 7.039 3.653 ( -9.948 6.080 -3.015) 12.043 3.802 ( -8.276 -5.519 -4.225) 10.808 4.582 ( 4.078 -7.016 5.605) 9.862 4.669 ( 4.922 -0.017 6.432) 8.100 4.899 ( -1.322 -2.325 -1.685) 3.161 5.057 ( 2.954 -11.973 -0.634) 12.348 5.407 ( -5.279 2.973 -6.432) 8.836 5.583 ( -4.880 2.521 -4.906) 7.365 5.704 ( -9.600 -9.050 4.888) 14.070 5.849 ( 3.082 3.456 -6.350) 7.859 5.977 ( -10.898 -2.647 2.160) 11.421 6.158 ( 16.933 5.819 2.818) 18.125 6.241 ( -7.541 3.392 -10.748) 13.560 6.463 ( -7.300 -2.759 3.775) 8.669 6.532 ( -4.484 -3.698 4.682) 7.463 6.664 ( 0.250 5.688 2.475) 6.208 6.694 ( -5.206 11.144 -4.942) 13.255 6.782 ( -3.587 0.064 -1.105) 3.754 6.964 ( -1.142 7.253 2.076) 7.630 6.997 ( 1.693 5.974 0.447) 6.225 7.331 ( 22.100 0.931 3.288) 22.362 7.403 ( 3.090 1.974 2.916) 4.685 7.559 ( 4.420 -3.115 -3.154) 6.260 7.610 ( 1.365 -10.204 -1.302) 10.376 7.820 ( -6.353 -3.115 -9.582) 11.911 8.045 ( 5.737 -2.988 -8.859) 10.969 8.087 ( -3.445 -2.655 2.210) 4.879 8.345 ( -2.307 -3.346 3.354) 5.269 8.485 ( 4.056 14.611 -4.831) 15.914 8.815 ( -1.914 -4.997 -7.362) 9.101 8.911 ( -7.469 -2.392 -6.571) 10.231 8.992 ( 5.256 -0.690 -10.936) 12.154 9.106 ( -11.208 4.585 -4.058) 12.772 9.189 ( -2.887 4.810 -4.160) 6.984 9.450 ( 6.577 1.488 -1.955) 7.021 9.609 ( -11.694 2.580 -0.266) 11.978 9.920 ( 2.478 4.973 -15.290) 16.268 9.930 ( 4.460 -0.521 -17.783) 18.341 10.214 ( -3.944 -9.056 11.063) 14.831 10.639 ( 10.210 2.396 -1.588) 10.607 10.660 ( -4.362 -16.337 12.247) 20.879 10.921 ( -6.047 -6.693 1.085) 9.085 11.445 ( -0.735 1.124 10.205) 10.293 11.534 ( 2.440 -5.100 7.123) 9.094 12.164 ( 1.472 6.175 0.057) 6.349 12.248 ( -4.805 9.764 5.736) 12.301 12.555 ( 1.060 8.927 8.061) 12.074 12.783 ( 3.910 1.670 6.756) 7.983 13.024 ( -0.014 4.985 -9.581) 10.800 13.099 ( -4.960 -1.114 -1.185) 5.220 13.649 ( -3.786 1.038 12.548) 13.148 14.105 ( 8.002 -8.359 6.832) 13.438 14.317 ( 0.876 -6.932 5.003) 8.594 14.432 ( -0.154 -1.412 1.907) 2.378 14.802 ( 6.673 3.588 -4.287) 8.705 14.971 ( 3.142 1.461 9.885) 10.475 15.151 ( 3.768 -0.610 4.094) 5.598 15.347 ( -1.069 -2.798 10.929) 11.332 15.593 ( -2.112 5.813 -10.636) 12.304 16.032 ( 7.074 2.574 5.338) 9.228 16.180 ( -5.532 -6.075 -6.327) 10.370 16.450 ( 7.067 -6.222 7.749) 12.194 17.132 ( -0.614 9.374 -8.570) 12.716 17.329 ( 1.993 2.698 -7.293) 8.027 18.187 ( -29.045 1.658 -56.876) 63.884 18.354 ( -19.991 1.031 -59.161) 62.456 20.818 ( 2.786 1.187 5.621) 6.385 20.889 ( 6.550 4.369 4.910) 9.278 21.268 ( 2.777 -6.470 2.974) 7.643 21.403 ( -0.773 -3.675 3.861) 5.386 21.957 ( 0.531 4.640 -5.783) 7.434 22.147 ( 6.926 3.189 -9.368) 12.079 22.266 ( 5.203 -0.728 3.848) 6.512 22.451 ( -6.055 -8.768 4.772) 11.675 22.901 ( 2.066 6.004 -0.575) 6.376 23.024 ( 0.259 7.470 -1.209) 7.572 23.749 ( -1.346 -0.317 -0.575) 1.498 23.823 ( -4.356 -1.092 0.101) 4.492 24.232 ( -6.540 -0.846 10.170) 12.120 24.351 ( 7.323 -1.670 5.844) 9.517 26.304 ( -8.728 -2.104 3.739) 9.725 26.753 ( 1.079 -12.117 -3.601) 12.687 27.279 ( 2.591 7.434 3.870) 8.773 27.548 ( 2.369 -0.158 1.961) 3.080 ======================= Grid point 140 (71/128) ======================= q-point: (-0.44 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -21.025 -6.737 -11.227) 24.769 1.788 ( -5.039 -1.195 -16.653) 17.440 1.910 ( -5.053 -2.486 -27.169) 27.747 2.212 ( -6.840 -9.157 -5.472) 12.672 2.419 ( -4.937 0.755 0.751) 5.050 2.493 ( 2.315 -9.882 -1.078) 10.206 2.734 ( 2.201 -3.616 5.400) 6.861 2.864 ( -1.781 1.875 1.007) 2.775 3.038 ( 5.960 0.231 -1.396) 6.126 3.103 ( 12.670 -7.040 -1.500) 14.572 3.322 ( -11.303 -0.841 7.785) 13.751 3.508 ( -7.712 6.887 1.690) 10.476 3.544 ( -6.675 -1.260 -3.368) 7.582 3.619 ( -2.978 -2.218 -0.544) 3.753 4.610 ( -6.040 -5.227 -0.424) 7.999 4.793 ( -1.504 -0.984 3.353) 3.804 4.808 ( 3.473 -3.555 -2.558) 5.589 5.093 ( -4.546 0.281 -9.884) 10.883 5.279 ( 5.549 -8.686 -4.105) 11.094 5.429 ( -2.191 -9.448 -13.125) 16.320 5.565 ( -11.120 -9.548 6.667) 16.102 5.745 ( -11.306 -6.123 -11.484) 17.239 5.815 ( -10.161 2.156 7.535) 12.833 6.020 ( -1.138 5.835 -8.220) 10.145 6.349 ( -1.814 3.777 2.106) 4.689 6.456 ( -2.043 7.168 3.913) 8.419 6.482 ( -9.432 7.897 -2.772) 12.610 6.585 ( 6.327 2.029 1.555) 6.824 6.676 ( -1.467 3.732 2.390) 4.668 6.793 ( 9.202 -1.404 -0.784) 9.342 7.025 ( 3.377 2.738 2.747) 5.143 7.109 ( 7.164 5.672 -0.226) 9.141 7.441 ( 2.073 -0.662 -1.463) 2.622 7.515 ( -3.403 -0.262 -3.961) 5.228 7.533 ( -8.349 2.446 1.428) 8.816 7.678 ( 2.215 -4.570 0.453) 5.099 7.819 ( 14.050 -1.528 1.592) 14.223 8.003 ( 3.430 1.528 -4.326) 5.728 8.133 ( 6.462 0.921 1.195) 6.636 8.275 ( -8.610 -3.620 -1.806) 9.513 8.434 ( -10.541 3.542 -3.984) 11.812 8.550 ( -4.902 5.444 -3.041) 7.932 8.745 ( 2.572 -3.542 -12.549) 13.291 8.958 ( -5.045 -3.220 2.438) 6.463 9.102 ( 2.954 1.359 -1.411) 3.545 9.211 ( 6.198 3.842 -7.753) 10.644 9.444 ( 0.333 2.765 -4.459) 5.257 9.547 ( 7.461 -3.138 -6.328) 10.274 9.811 ( 1.888 -1.218 -13.997) 14.176 9.891 ( 6.207 5.702 -11.005) 13.862 10.254 ( -3.044 -8.251 8.774) 12.423 10.647 ( -5.859 -17.075 9.103) 20.217 10.766 ( -2.345 -7.905 3.802) 9.080 10.906 ( 6.877 -1.895 -1.288) 7.249 11.503 ( -2.095 0.028 7.422) 7.712 11.620 ( 0.532 -3.642 5.712) 6.795 12.153 ( -3.203 17.243 7.126) 18.930 12.338 ( 11.266 6.083 -0.325) 12.807 12.635 ( 0.211 10.518 5.995) 12.108 12.894 ( 2.492 3.171 3.067) 5.067 12.990 ( 3.484 4.084 -3.615) 6.472 13.049 ( -2.058 -0.381 2.447) 3.220 13.664 ( -7.142 2.648 12.074) 14.276 14.164 ( -3.998 -8.720 -1.662) 9.736 14.357 ( 4.753 -7.229 0.392) 8.660 14.585 ( 6.173 -4.306 8.825) 11.598 14.896 ( 7.885 8.669 0.620) 11.735 15.134 ( 4.802 -2.308 11.475) 12.652 15.272 ( 2.789 1.646 9.510) 10.046 15.386 ( -2.389 -1.898 -2.277) 3.807 15.520 ( 2.339 1.023 0.066) 2.554 15.946 ( -8.998 -4.096 -7.901) 12.656 16.213 ( 3.653 0.915 8.115) 8.946 16.598 ( 1.903 -8.077 2.562) 8.684 16.992 ( -6.891 10.067 -9.666) 15.565 17.161 ( -8.993 0.947 -19.185) 21.210 17.273 ( -20.976 0.901 -48.470) 52.822 17.576 ( -12.585 3.025 -39.522) 41.588 20.896 ( 2.296 1.649 2.421) 3.721 20.987 ( 4.972 4.370 -2.471) 7.065 21.378 ( 4.674 -6.272 5.396) 9.502 21.402 ( -2.522 -5.798 1.499) 6.497 21.904 ( -0.705 6.369 -5.167) 8.232 22.156 ( 4.151 2.112 -9.942) 10.979 22.363 ( 1.400 -4.506 3.936) 6.144 22.396 ( -3.521 -4.500 3.478) 6.689 22.916 ( -0.337 8.207 -1.194) 8.300 23.014 ( 0.413 7.232 -1.362) 7.371 23.729 ( -0.595 -0.440 0.381) 0.832 23.788 ( -0.329 0.935 0.148) 1.002 24.204 ( -6.207 0.179 7.841) 10.002 24.569 ( 11.639 -5.421 5.962) 14.156 26.222 ( -6.871 -1.661 8.184) 10.814 26.757 ( 3.572 -11.169 -3.794) 12.325 27.355 ( 1.864 5.651 4.260) 7.319 27.580 ( 1.267 1.030 -1.439) 2.176 ======================= Grid point 141 (72/128) ======================= q-point: (-0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -21.515 -2.897 -15.573) 26.717 1.386 ( -6.471 -3.815 -18.231) 19.718 1.645 ( -17.601 3.360 -0.968) 17.945 2.087 ( -3.685 6.469 -1.596) 7.614 2.335 ( -10.501 -0.551 3.338) 11.033 2.549 ( 1.701 -9.037 -0.651) 9.219 2.793 ( -2.339 -1.808 3.948) 4.932 2.872 ( -2.385 -8.103 3.463) 9.129 3.084 ( -1.922 -1.375 4.838) 5.384 3.159 ( -8.446 2.655 0.321) 8.859 3.303 ( 1.587 -4.528 -0.901) 4.882 3.414 ( 4.106 1.931 1.854) 4.901 3.428 ( -1.948 9.997 0.652) 10.206 3.638 ( 1.044 -7.547 1.596) 7.784 4.436 ( -10.293 -2.069 -2.802) 10.866 4.614 ( -12.664 6.756 -0.273) 14.356 4.918 ( 6.487 -9.625 -1.391) 11.690 4.996 ( 1.412 -5.232 -3.072) 6.229 5.290 ( -2.230 -9.139 -4.011) 10.226 5.371 ( 2.283 -1.507 -7.995) 8.450 5.457 ( -3.077 -11.588 2.858) 12.325 5.527 ( -5.373 -15.176 2.366) 16.272 5.775 ( -4.326 4.047 6.867) 9.069 5.885 ( -8.410 1.153 -5.148) 9.928 6.256 ( -2.606 5.090 -2.896) 6.410 6.391 ( -6.149 -0.500 0.495) 6.189 6.436 ( 0.912 6.934 2.005) 7.276 6.618 ( 4.627 12.528 0.071) 13.355 6.806 ( -7.292 -3.800 -1.578) 8.373 6.928 ( 5.390 0.663 1.059) 5.533 6.968 ( -1.027 -3.935 0.049) 4.067 7.163 ( 3.111 2.972 1.468) 4.546 7.313 ( -6.336 5.554 -6.668) 10.745 7.529 ( 8.125 5.838 3.304) 10.536 7.597 ( 3.744 -2.774 1.218) 4.816 7.694 ( -7.000 0.398 2.167) 7.338 7.826 ( 5.703 5.259 -0.461) 7.771 8.006 ( -10.772 -4.088 -4.995) 12.557 8.200 ( -1.644 -0.640 -5.048) 5.347 8.293 ( 3.649 0.438 6.453) 7.426 8.382 ( 13.178 -0.893 6.054) 14.530 8.502 ( 0.185 4.420 -3.843) 5.860 8.744 ( 4.882 3.392 -2.992) 6.655 8.907 ( -0.822 -1.562 -0.672) 1.888 9.116 ( -0.028 1.983 -6.570) 6.863 9.150 ( -3.398 0.164 4.100) 5.328 9.566 ( 7.689 -5.670 -7.314) 12.032 9.602 ( 14.660 -3.822 -10.030) 18.169 9.775 ( 7.599 -0.651 -8.060) 11.097 9.926 ( 7.417 6.364 -7.176) 12.125 10.240 ( -4.937 -6.039 3.398) 8.508 10.614 ( -6.853 -10.008 7.128) 14.069 10.753 ( -6.983 -22.485 9.914) 25.547 11.004 ( 8.939 -1.280 -7.147) 11.516 11.506 ( -3.915 -2.934 4.050) 6.352 11.645 ( -2.898 -3.175 3.862) 5.779 12.297 ( 13.034 29.837 6.443) 33.191 12.542 ( 9.556 4.300 0.644) 10.498 12.682 ( 2.778 11.581 2.448) 12.158 12.912 ( 0.812 1.681 -2.758) 3.330 13.019 ( 0.378 -1.039 0.197) 1.123 13.097 ( 4.931 3.668 0.714) 6.187 13.654 ( -9.384 5.368 19.847) 22.601 14.066 ( -3.555 -6.852 -3.089) 8.315 14.434 ( 4.659 -6.715 -1.733) 8.355 14.682 ( 2.366 -6.152 -2.574) 7.076 15.064 ( 4.682 5.611 6.595) 9.844 15.190 ( -4.967 6.504 -15.910) 17.892 15.341 ( 1.946 -2.103 3.310) 4.378 15.420 ( 6.872 -8.274 8.888) 13.953 15.651 ( 5.188 -1.058 12.388) 13.472 15.783 ( -4.443 2.824 -2.298) 5.745 16.325 ( -0.329 -2.548 8.999) 9.359 16.417 ( -14.152 -6.828 -26.873) 31.130 16.597 ( -12.579 2.558 -19.612) 23.440 16.736 ( -4.450 2.587 -3.247) 6.086 17.000 ( -3.105 3.821 3.358) 5.960 17.177 ( -11.524 4.782 -16.150) 20.408 20.935 ( 1.643 -0.117 -1.207) 2.042 21.043 ( 4.705 4.209 -3.009) 6.994 21.338 ( -4.259 -9.726 -2.791) 10.978 21.496 ( 3.340 -3.837 4.509) 6.798 21.839 ( -2.449 9.615 -3.309) 10.459 22.105 ( -0.207 -3.164 -7.589) 8.225 22.360 ( -0.966 -1.218 0.944) 1.819 22.436 ( 0.871 -3.367 3.695) 5.074 22.862 ( -2.601 8.917 -3.805) 10.038 23.012 ( 0.182 6.226 -1.139) 6.332 23.743 ( 1.049 -0.125 1.728) 2.026 23.802 ( 1.772 1.462 -0.196) 2.305 24.172 ( -4.524 2.266 5.182) 7.242 24.825 ( 13.658 -8.154 1.269) 15.957 26.236 ( -2.901 -2.386 13.156) 13.682 26.801 ( 5.761 -10.118 -4.295) 12.410 27.411 ( 0.098 3.923 3.931) 5.554 27.573 ( 0.899 3.049 -3.599) 4.802 ======================= Grid point 142 (73/128) ======================= q-point: (-0.22 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.386 1.844 29.133) 29.194 1.301 ( -4.817 0.574 8.852) 10.094 1.546 ( 1.931 3.671 21.371) 21.770 1.961 ( -8.545 23.459 0.833) 24.981 2.173 ( -8.432 -4.658 2.460) 9.942 2.504 ( -4.727 -9.105 -3.530) 10.850 2.676 ( -15.991 -5.800 7.868) 18.742 2.856 ( -7.660 -2.693 9.861) 12.773 2.972 ( -9.194 4.812 5.460) 11.725 3.144 ( -10.536 3.189 11.373) 15.828 3.290 ( 4.429 -3.479 1.223) 5.764 3.434 ( 5.512 6.736 -5.323) 10.202 3.578 ( 12.693 -0.477 -7.314) 14.657 3.736 ( 7.166 -5.638 4.760) 10.286 4.353 ( -0.210 0.373 11.365) 11.373 4.507 ( -5.113 6.594 10.639) 13.521 4.940 ( -7.364 -5.087 4.135) 9.859 4.985 ( 3.955 -12.749 -4.987) 14.250 5.274 ( -8.139 -0.308 1.323) 8.252 5.320 ( 4.894 -3.506 1.471) 6.198 5.421 ( -3.195 -9.384 2.282) 10.172 5.594 ( 3.811 -11.410 -0.526) 12.041 5.620 ( -6.875 -2.221 3.156) 7.885 5.916 ( 6.320 2.392 4.540) 8.141 6.205 ( -3.677 -2.512 -8.474) 9.573 6.296 ( -3.011 -1.924 -0.592) 3.622 6.406 ( -4.172 1.537 1.413) 4.665 6.549 ( -6.954 -3.380 0.532) 7.751 6.799 ( 9.469 8.486 5.676) 13.924 6.915 ( -2.165 -5.389 -0.596) 5.838 7.091 ( -1.420 1.744 0.137) 2.254 7.203 ( 5.608 7.663 1.443) 9.605 7.251 ( 0.681 8.245 -0.128) 8.274 7.505 ( -6.592 -3.302 -0.314) 7.380 7.629 ( -3.187 2.023 1.251) 3.977 7.764 ( 8.462 4.644 2.908) 10.081 7.811 ( -5.759 -1.800 -2.964) 6.722 7.908 ( 0.573 -0.824 0.047) 1.005 8.134 ( 2.240 5.239 -5.062) 7.622 8.357 ( -4.208 0.551 6.906) 8.106 8.409 ( -1.179 2.588 -5.651) 6.326 8.685 ( 8.829 -2.523 3.589) 9.859 8.828 ( 4.834 2.265 2.977) 6.112 8.926 ( 2.613 -2.738 -1.612) 4.114 9.104 ( 7.407 5.661 -1.473) 9.438 9.147 ( 0.027 0.634 -1.309) 1.454 9.584 ( 4.014 -7.777 -5.166) 10.163 9.772 ( 10.539 -6.174 -0.715) 12.235 9.913 ( 10.174 -2.833 -3.821) 11.231 10.023 ( 12.685 4.995 -5.909) 14.859 10.191 ( -1.299 -4.306 0.190) 4.502 10.555 ( -9.839 -13.849 7.027) 18.384 10.660 ( -8.024 -11.033 3.306) 14.037 11.117 ( 9.550 -7.244 -3.927) 12.614 11.445 ( -6.386 -5.330 1.456) 8.444 11.596 ( -6.215 -2.442 2.536) 7.143 12.533 ( 11.365 33.888 -17.493) 39.794 12.584 ( -2.578 7.297 1.138) 7.822 12.789 ( 3.618 6.386 -2.662) 7.807 12.902 ( 3.789 3.814 -4.979) 7.328 13.013 ( -0.768 -0.890 -1.458) 1.873 13.188 ( 7.913 -2.739 1.248) 8.466 13.843 ( 4.460 10.098 33.488) 35.261 14.000 ( -0.886 -8.353 -3.801) 9.220 14.471 ( 3.578 -4.807 -6.613) 8.924 14.655 ( -0.002 -4.584 -6.137) 7.660 14.924 ( -4.348 3.724 -19.935) 20.740 15.089 ( -4.165 -2.174 -1.728) 5.006 15.327 ( -0.451 0.603 -4.899) 4.957 15.491 ( -10.751 5.444 -13.507) 18.101 15.645 ( 1.729 -7.143 3.162) 8.000 15.891 ( 2.735 0.159 6.940) 7.461 16.010 ( -5.445 0.575 -3.883) 6.712 16.337 ( -8.826 -2.301 4.010) 9.964 16.521 ( -1.288 -0.221 14.818) 14.875 16.831 ( -7.572 6.898 -0.776) 10.272 17.019 ( 5.383 -0.113 19.824) 20.542 17.092 ( 20.022 -1.976 32.156) 37.932 20.917 ( -1.808 -3.854 -4.574) 6.248 21.060 ( -1.784 -2.417 -1.453) 3.337 21.237 ( 0.526 -3.977 -7.897) 8.858 21.565 ( -0.040 -0.718 4.521) 4.578 21.765 ( -3.818 10.790 -1.542) 11.549 22.031 ( -1.274 -6.373 -5.194) 8.320 22.358 ( 0.436 5.405 -1.365) 5.592 22.471 ( -0.504 -5.782 3.538) 6.797 22.789 ( -0.621 7.523 -4.722) 8.904 22.992 ( -1.062 4.640 -1.563) 5.010 23.795 ( 2.414 0.342 3.278) 4.085 23.838 ( 2.726 0.373 -0.445) 2.787 24.147 ( -2.665 5.133 2.485) 6.295 25.013 ( 10.570 -9.311 -6.688) 15.593 26.351 ( 1.211 -4.642 12.759) 13.631 26.863 ( 6.456 -8.707 -5.164) 12.007 27.424 ( -2.425 2.566 2.864) 4.546 27.544 ( -0.170 4.178 -5.072) 6.573 ======================= Grid point 143 (74/128) ======================= q-point: (-0.11 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -2.928 3.387 31.080) 31.401 1.417 ( 4.280 12.708 21.283) 25.155 1.816 ( 1.190 -4.901 12.839) 13.794 1.972 ( 3.856 14.664 12.129) 19.417 2.271 ( 6.598 -6.361 23.992) 25.683 2.356 ( -10.535 -8.750 11.419) 17.831 2.528 ( -4.628 -0.460 2.019) 5.070 2.697 ( -19.806 15.511 15.737) 29.673 2.921 ( -7.586 0.829 7.537) 10.726 3.076 ( -6.176 3.020 6.322) 9.340 3.398 ( 6.802 -4.508 -0.806) 8.200 3.519 ( 8.688 0.997 -3.115) 9.283 3.722 ( 10.878 -0.717 -5.930) 12.410 3.888 ( 7.375 2.009 -0.775) 7.683 4.414 ( -1.741 -0.966 4.247) 4.691 4.776 ( 4.129 -8.213 8.659) 12.629 4.921 ( 0.438 -2.364 7.011) 7.412 5.016 ( 12.864 -9.534 11.072) 19.467 5.143 ( -7.264 4.960 2.863) 9.250 5.366 ( -1.301 -1.548 4.195) 4.657 5.456 ( 5.931 -4.763 -2.482) 8.002 5.493 ( -8.414 -0.742 4.980) 9.806 5.765 ( 8.065 -7.482 3.104) 11.431 6.026 ( 0.243 -5.293 -0.660) 5.340 6.072 ( -0.018 -2.581 3.068) 4.009 6.284 ( 2.322 -4.876 -1.950) 5.742 6.461 ( 5.055 -1.656 3.672) 6.463 6.505 ( 1.264 -7.789 -1.042) 7.959 6.874 ( -1.133 -6.289 -2.997) 7.058 6.881 ( 0.048 6.988 -4.055) 8.079 7.090 ( -12.549 0.769 -2.167) 12.758 7.154 ( -1.681 -1.516 6.963) 7.322 7.254 ( -0.434 9.941 2.316) 10.217 7.542 ( -6.046 5.108 1.482) 8.052 7.608 ( 13.538 6.221 3.813) 15.379 7.754 ( -3.259 -4.474 1.759) 5.808 7.806 ( -2.608 -0.884 0.571) 2.813 7.965 ( 4.220 2.866 4.523) 6.817 8.155 ( 4.938 7.567 -5.627) 10.644 8.253 ( -6.875 4.095 -7.304) 10.835 8.408 ( 3.187 2.071 3.214) 4.977 8.721 ( -6.362 0.311 3.896) 7.467 8.865 ( -5.884 -4.840 5.824) 9.590 9.005 ( 2.629 0.473 1.577) 3.102 9.196 ( 13.221 -0.698 -3.899) 13.801 9.307 ( 15.954 4.458 -3.061) 16.846 9.615 ( 2.955 -7.174 -0.647) 7.786 9.922 ( 2.850 -7.006 2.516) 7.971 9.968 ( -1.694 -3.799 1.209) 4.332 10.207 ( 9.021 -4.937 -2.265) 10.530 10.247 ( 9.669 -1.967 -4.531) 10.857 10.377 ( -8.374 -14.560 3.182) 17.095 10.666 ( -1.058 4.600 11.166) 12.123 11.180 ( 2.472 -3.777 -9.783) 10.774 11.309 ( -10.029 -6.951 -0.991) 12.242 11.494 ( -7.754 -1.217 2.358) 8.196 12.257 ( -13.037 30.841 -18.526) 38.266 12.578 ( -1.440 8.812 2.027) 9.156 12.729 ( -1.509 6.088 -8.959) 10.936 12.923 ( -0.524 1.105 2.039) 2.378 13.030 ( 4.127 5.863 -4.111) 8.265 13.393 ( 11.415 -4.802 4.129) 13.055 13.941 ( -0.739 -10.848 -7.875) 13.425 14.172 ( 1.661 6.119 12.671) 14.169 14.403 ( -0.259 4.256 -12.860) 13.549 14.604 ( 2.252 -3.576 -8.163) 9.192 14.755 ( 1.263 -7.297 -9.690) 12.196 14.907 ( -13.437 -6.141 -9.980) 17.829 15.081 ( -3.714 -1.807 -5.200) 6.640 15.467 ( -12.691 5.680 -9.040) 16.584 15.657 ( 10.655 7.415 8.629) 15.587 15.751 ( -0.553 -0.859 -5.575) 5.668 16.077 ( -14.902 -3.558 -5.275) 16.204 16.278 ( 11.938 -3.573 9.540) 15.694 16.498 ( -6.531 10.796 12.004) 17.415 16.844 ( -3.552 0.711 5.554) 6.631 17.485 ( 20.598 2.734 47.909) 52.221 18.381 ( 65.690 -23.319 58.461) 90.976 20.752 ( -11.525 -7.894 -4.639) 14.720 20.979 ( -4.398 -7.052 -2.560) 8.696 21.242 ( 8.026 5.785 -9.242) 13.539 21.581 ( -3.522 2.764 5.773) 7.305 21.666 ( -6.084 9.130 -3.418) 11.492 21.972 ( -0.884 -7.293 -3.837) 8.288 22.331 ( -2.178 8.895 -1.873) 9.348 22.496 ( 0.840 -6.398 2.027) 6.764 22.772 ( 2.847 5.861 -3.213) 7.265 22.958 ( -0.673 2.643 -1.988) 3.375 23.865 ( 1.597 0.777 1.919) 2.615 23.894 ( 4.100 -0.799 2.274) 4.756 24.128 ( -1.194 6.974 0.451) 7.090 25.032 ( 1.890 -9.087 -13.245) 16.174 26.448 ( -2.269 -2.716 8.261) 8.987 26.918 ( 5.722 -6.695 -5.316) 10.287 27.378 ( -5.623 1.014 1.630) 5.942 27.461 ( -2.781 1.948 -6.834) 7.631 ======================= Grid point 144 (75/128) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -5.960 4.770 11.641) 13.920 1.705 ( -12.074 5.615 18.928) 23.143 1.899 ( 5.577 -4.315 0.204) 7.054 1.960 ( -4.279 -2.854 18.915) 19.601 2.369 ( 1.721 0.749 -1.841) 2.629 2.565 ( 6.219 -11.603 19.078) 23.179 2.627 ( 9.767 10.837 10.030) 17.704 2.934 ( -3.362 11.936 12.112) 17.334 3.115 ( -8.648 14.371 25.108) 30.195 3.145 ( 0.513 5.360 -0.985) 5.474 3.330 ( 2.053 -9.142 5.305) 10.767 3.713 ( 10.407 3.329 4.550) 11.836 3.750 ( -1.894 -2.613 -5.791) 6.630 4.022 ( 2.875 0.216 -0.121) 2.885 4.452 ( -0.477 -6.065 -6.219) 8.700 4.509 ( 4.931 -2.525 -3.448) 6.526 4.894 ( -5.485 -2.957 9.059) 10.995 4.954 ( -3.324 -9.400 1.588) 10.096 5.281 ( 8.199 0.618 1.659) 8.388 5.388 ( 6.415 -5.291 4.883) 9.644 5.539 ( 1.086 -3.359 6.552) 7.442 5.608 ( 7.308 11.392 -3.513) 13.983 5.735 ( -1.233 -6.944 4.322) 8.271 5.981 ( 8.336 -4.784 1.050) 9.669 6.113 ( 9.928 -3.106 6.153) 12.086 6.241 ( 3.670 -0.512 0.205) 3.711 6.330 ( 10.059 -13.182 1.458) 16.645 6.515 ( 1.756 -8.108 -4.804) 9.587 6.762 ( 2.475 0.152 -2.389) 3.443 6.812 ( -7.545 -0.427 -2.359) 7.917 6.993 ( -5.633 2.880 1.850) 6.591 7.056 ( -7.390 -2.136 0.664) 7.721 7.407 ( -4.413 7.189 2.235) 8.727 7.518 ( -6.928 3.431 0.213) 7.734 7.588 ( -10.659 -0.871 5.231) 11.905 7.765 ( -2.201 -5.448 1.669) 6.109 7.935 ( 1.139 5.894 8.468) 10.381 8.102 ( -4.000 7.060 0.095) 8.115 8.195 ( 0.197 2.961 -4.725) 5.579 8.355 ( 6.855 4.015 -1.729) 8.130 8.544 ( 0.144 -5.118 6.210) 8.049 8.555 ( -3.835 -4.703 0.241) 6.074 8.872 ( 2.945 12.233 -0.750) 12.605 9.097 ( 1.500 1.650 4.331) 4.872 9.320 ( 8.066 -3.761 1.857) 9.091 9.501 ( 2.832 -5.630 1.220) 6.419 9.577 ( 2.516 -3.965 4.372) 6.416 9.663 ( -1.346 -6.296 3.369) 7.266 9.978 ( 6.656 5.788 -0.458) 8.833 10.168 ( 5.939 -0.979 -4.024) 7.240 10.423 ( 8.590 -2.203 3.598) 9.570 10.433 ( 8.225 0.174 0.184) 8.229 10.844 ( -0.577 1.179 7.905) 8.013 10.920 ( -13.336 -8.534 -2.739) 16.068 11.161 ( 0.686 6.244 -11.442) 13.053 11.362 ( -3.691 -4.211 3.329) 6.514 12.329 ( -10.358 15.199 -6.174) 19.402 12.635 ( -5.234 -0.708 -2.641) 5.905 12.783 ( -3.849 11.371 -9.396) 15.245 13.036 ( 2.066 10.427 1.541) 10.741 13.122 ( -2.498 -0.312 -5.951) 6.462 13.455 ( 3.691 -6.042 5.044) 8.693 13.674 ( -2.006 -3.198 -6.127) 7.197 14.106 ( -12.090 -10.735 -4.283) 16.726 14.364 ( -1.431 -0.133 -4.779) 4.991 14.435 ( -4.042 0.901 -3.626) 5.504 14.539 ( 3.835 -1.934 -11.970) 12.717 14.623 ( 6.915 -8.434 -6.230) 12.560 15.027 ( -7.360 3.952 -3.395) 9.017 15.258 ( -10.452 -5.320 -1.164) 11.786 15.556 ( -2.933 9.698 -9.017) 13.564 15.835 ( -0.742 -2.079 -8.166) 8.459 16.233 ( 9.639 7.083 9.637) 15.361 16.470 ( 8.626 -2.893 2.155) 9.350 16.710 ( 0.777 7.133 9.474) 11.884 16.861 ( 2.364 0.447 5.447) 5.955 18.498 ( 27.058 7.969 58.507) 64.952 19.180 ( 36.446 -32.208 51.304) 70.695 20.561 ( -1.127 3.417 -4.439) 5.714 20.746 ( -2.749 -5.867 -7.077) 9.595 21.408 ( 3.891 3.454 -5.829) 7.813 21.511 ( -6.314 -1.338 -4.027) 7.608 21.667 ( -4.514 5.810 -2.929) 7.919 21.830 ( 0.890 -4.710 -3.430) 5.894 22.378 ( -3.494 4.121 -0.656) 5.443 22.470 ( -0.065 -1.629 0.949) 1.886 22.902 ( 3.476 3.995 -1.563) 5.521 22.965 ( 1.045 0.660 -2.329) 2.637 23.921 ( 1.230 2.491 2.364) 3.647 24.001 ( 3.187 -0.747 6.219) 7.028 24.255 ( -1.716 9.430 -3.802) 10.311 24.667 ( -7.049 -10.579 -10.506) 16.492 26.540 ( -0.849 6.627 5.731) 8.803 26.838 ( 4.516 -7.860 -2.465) 9.394 27.255 ( -7.846 -0.125 -2.240) 8.161 27.316 ( -3.812 -3.055 -5.435) 7.308 ======================= Grid point 145 (76/128) ======================= q-point: ( 0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -2.593 2.141 6.096) 6.962 1.654 ( -8.378 2.539 14.369) 16.826 1.941 ( -4.002 0.310 8.665) 9.550 2.107 ( 4.185 0.389 8.339) 9.338 2.422 ( 3.163 6.440 2.361) 7.553 2.617 ( -10.264 2.878 4.298) 11.494 2.710 ( -4.300 -1.123 6.639) 7.989 3.057 ( 5.417 4.425 -3.070) 7.639 3.145 ( 2.947 7.377 0.061) 7.944 3.345 ( 5.418 4.453 19.329) 20.562 3.431 ( -2.086 -15.340 11.625) 19.361 3.643 ( -3.760 -1.954 0.722) 4.299 3.937 ( 7.941 -0.312 8.065) 11.323 4.016 ( -2.636 0.008 4.200) 4.959 4.285 ( -3.567 -1.563 -15.270) 15.758 4.602 ( 2.857 -7.217 -7.305) 10.659 4.768 ( -11.745 0.231 8.178) 14.313 5.023 ( 3.490 -7.034 5.835) 9.783 5.384 ( 6.592 4.861 -4.494) 9.343 5.487 ( 4.477 0.390 2.956) 5.379 5.623 ( -1.189 -6.304 1.450) 6.577 5.699 ( 6.455 -1.083 1.595) 6.736 5.834 ( 16.050 7.002 -4.654) 18.118 6.127 ( 3.847 -2.551 3.923) 6.058 6.261 ( 1.726 -3.434 -1.475) 4.117 6.405 ( 4.351 -1.644 1.005) 4.759 6.455 ( 14.366 -7.322 -0.185) 16.125 6.536 ( 6.985 -6.320 -7.457) 12.014 6.722 ( -1.261 -1.635 -0.341) 2.093 6.790 ( 3.881 -3.181 -4.494) 6.737 6.943 ( -5.516 -0.733 1.942) 5.894 7.005 ( 3.385 -2.364 4.343) 5.993 7.342 ( -7.911 5.313 4.549) 10.560 7.400 ( -5.829 1.035 0.185) 5.923 7.463 ( -9.870 -0.809 4.003) 10.682 7.689 ( -9.486 -7.014 5.451) 12.996 7.906 ( -6.420 8.655 -4.712) 11.761 8.003 ( -3.208 8.638 4.373) 10.199 8.236 ( 0.792 -2.231 -0.090) 2.369 8.371 ( -2.503 -5.839 -2.434) 6.803 8.552 ( 5.599 1.332 2.163) 6.148 8.605 ( -0.538 -0.277 4.580) 4.620 8.958 ( 7.002 14.216 -2.704) 16.075 9.128 ( -2.740 6.793 6.511) 9.800 9.445 ( 0.554 -3.835 6.042) 7.177 9.551 ( 4.151 -7.065 -4.146) 9.183 9.620 ( 2.201 -4.699 2.663) 5.833 9.714 ( 1.657 -6.301 5.197) 8.334 10.129 ( 0.023 4.804 -8.922) 10.134 10.153 ( 10.633 8.142 -3.142) 13.756 10.507 ( -4.263 9.782 -1.024) 10.720 10.561 ( 0.674 -7.691 5.380) 9.410 10.651 ( -9.196 -13.342 -5.702) 17.178 10.928 ( 2.076 -8.001 9.070) 12.272 11.054 ( 0.433 12.171 -11.461) 16.724 11.339 ( -3.299 -2.769 3.399) 5.487 12.214 ( -3.084 12.004 5.719) 13.649 12.535 ( -4.529 -1.332 -2.802) 5.490 12.624 ( -4.878 7.233 -5.465) 10.295 12.863 ( -9.592 -0.845 -8.863) 13.087 13.202 ( 2.489 8.438 10.680) 13.837 13.455 ( -3.858 -0.702 -4.238) 5.774 13.650 ( -2.862 -8.413 5.297) 10.346 13.844 ( -9.140 -11.694 -7.109) 16.457 14.227 ( -3.147 5.699 -12.228) 13.853 14.422 ( 0.976 -1.727 0.666) 2.093 14.557 ( 8.408 -0.750 -8.225) 11.786 14.725 ( 7.825 -8.712 -2.024) 11.884 14.891 ( -4.968 4.278 0.217) 6.560 15.144 ( -5.663 -6.905 6.798) 11.223 15.536 ( 8.288 10.812 -6.085) 14.920 15.808 ( 4.523 -1.928 -5.696) 7.524 16.282 ( -7.454 7.453 2.562) 10.848 16.514 ( -2.492 -4.804 -1.457) 5.605 16.897 ( 12.363 8.717 5.216) 16.001 17.059 ( 12.934 0.209 2.419) 13.160 19.422 ( 22.033 7.004 48.387) 53.626 19.918 ( 6.627 -19.144 25.390) 32.482 20.499 ( -2.146 1.509 -16.714) 16.919 20.697 ( 10.791 -8.115 -7.538) 15.464 21.203 ( -15.203 5.441 -9.897) 18.939 21.408 ( -4.360 -4.428 -1.088) 6.309 21.683 ( 9.280 5.069 -2.638) 10.899 21.855 ( 4.034 -4.673 -0.485) 6.193 22.308 ( -3.340 5.130 -1.859) 6.397 22.457 ( -2.851 -3.654 1.862) 4.995 22.955 ( 3.748 3.326 -1.746) 5.306 22.979 ( 3.191 1.076 -2.162) 4.002 23.943 ( -1.347 4.635 1.322) 5.005 24.102 ( 1.159 -2.318 6.632) 7.120 24.185 ( -2.648 5.568 -1.503) 6.346 24.408 ( -12.553 -5.272 -7.176) 15.390 26.536 ( -6.737 5.409 8.244) 11.942 26.824 ( -4.984 -8.456 -1.518) 9.933 27.167 ( 1.556 1.276 -2.403) 3.134 27.274 ( 3.768 -4.053 -4.098) 6.886 ======================= Grid point 146 (77/128) ======================= q-point: ( 0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -8.200 8.401 2.571) 12.018 1.729 ( 2.663 -4.391 7.656) 9.219 1.964 ( -1.343 4.564 9.492) 10.617 2.259 ( 6.009 -2.467 5.791) 8.702 2.425 ( -11.735 -0.157 0.313) 11.740 2.463 ( -3.959 4.282 5.203) 7.815 2.699 ( -1.207 -1.340 2.967) 3.472 3.038 ( 0.398 -3.245 -5.832) 6.686 3.222 ( 4.616 5.690 -4.009) 8.353 3.326 ( -6.752 -8.110 -2.061) 10.752 3.566 ( -0.129 -7.595 7.452) 10.641 3.690 ( 3.519 -0.456 6.266) 7.201 3.869 ( -8.471 -5.039 -19.532) 21.879 4.137 ( 2.253 -4.300 6.740) 8.306 4.202 ( 1.656 2.961 2.221) 4.055 4.442 ( -7.030 -9.835 -0.056) 12.090 4.735 ( -3.371 8.846 5.504) 10.951 5.123 ( 1.323 -8.864 3.208) 9.519 5.393 ( 3.568 3.780 -9.023) 10.413 5.612 ( 5.332 1.549 5.426) 7.764 5.684 ( 6.346 2.753 2.277) 7.282 5.810 ( 6.073 -4.864 -3.698) 8.615 6.061 ( 11.175 9.654 -2.127) 14.920 6.182 ( 2.082 1.183 -3.164) 3.968 6.253 ( 1.997 -3.057 -0.782) 3.734 6.394 ( -1.088 1.335 1.806) 2.496 6.527 ( 0.142 -6.154 -5.717) 8.401 6.729 ( -2.685 -7.599 1.293) 8.163 6.739 ( 10.765 -1.764 1.171) 10.972 6.838 ( 10.533 -0.797 -5.366) 11.848 6.950 ( 2.879 0.779 3.799) 4.830 7.105 ( 3.462 -2.110 0.982) 4.171 7.214 ( -14.969 8.593 2.788) 17.484 7.264 ( -4.224 -0.058 3.947) 5.781 7.409 ( -1.409 -6.892 1.937) 7.296 7.624 ( -3.549 -7.068 4.940) 9.325 7.776 ( -4.366 5.423 -1.723) 7.172 7.984 ( -4.169 9.130 3.959) 10.789 8.164 ( -3.198 -8.270 -5.376) 10.370 8.357 ( -1.234 -7.064 1.085) 7.253 8.624 ( 1.179 5.050 1.410) 5.374 8.689 ( 8.096 2.629 -0.622) 8.535 8.999 ( 1.767 14.171 -3.446) 14.690 9.170 ( 1.733 7.886 2.568) 8.472 9.405 ( -5.078 -0.095 -5.005) 7.130 9.529 ( -0.560 -7.035 -7.666) 10.420 9.728 ( 3.139 -3.572 8.634) 9.857 9.820 ( 2.787 -4.529 8.871) 10.343 9.978 ( -3.543 2.480 -12.235) 12.977 10.213 ( -14.768 1.000 -9.110) 17.381 10.279 ( 3.356 4.215 -5.767) 7.892 10.505 ( -6.457 -3.420 -6.371) 9.694 10.588 ( -1.415 -1.325 2.967) 3.544 10.969 ( -0.900 -3.819 -3.625) 5.342 11.104 ( 5.815 -2.609 8.178) 10.368 11.311 ( -2.829 -3.355 3.502) 5.615 12.294 ( 1.697 10.287 11.545) 15.556 12.410 ( -5.203 5.856 -3.819) 8.715 12.578 ( -1.962 1.823 6.076) 6.640 12.671 ( -6.761 -2.542 -0.667) 7.254 13.292 ( -2.819 0.471 -1.956) 3.463 13.363 ( -2.277 2.488 2.930) 4.468 13.481 ( -8.598 -1.660 -3.855) 9.568 13.841 ( 0.208 -12.583 12.211) 17.535 14.083 ( -0.968 7.664 -9.864) 12.529 14.419 ( 0.105 -8.173 -4.561) 9.360 14.646 ( 8.986 1.704 -5.011) 10.429 14.835 ( 3.872 -3.554 4.813) 7.127 14.894 ( 3.788 3.715 1.356) 5.476 15.161 ( -2.153 -5.951 9.123) 11.103 15.696 ( 14.240 7.273 -2.680) 16.213 15.876 ( 6.984 -1.047 -1.009) 7.134 16.128 ( -8.817 8.242 -3.183) 12.482 16.412 ( -6.235 -7.371 -3.105) 10.141 17.143 ( 12.404 7.997 0.589) 14.770 17.264 ( 10.563 1.561 -2.060) 10.875 19.846 ( -10.606 0.664 -18.876) 21.662 19.954 ( -9.365 -4.646 -10.806) 15.035 20.294 ( 7.481 9.970 4.263) 13.174 20.768 ( -1.749 -12.195 -2.351) 12.542 21.029 ( 5.225 5.874 -0.223) 7.865 21.328 ( -4.407 -5.884 1.615) 7.526 21.875 ( 13.549 1.426 -0.640) 13.639 21.948 ( 5.201 -2.928 3.294) 6.818 22.234 ( -2.434 5.138 -3.395) 6.622 22.414 ( -4.278 -5.224 2.052) 7.057 22.976 ( 1.960 3.986 -2.688) 5.192 23.037 ( 3.757 1.615 0.465) 4.116 23.886 ( -4.597 3.987 -1.641) 6.303 24.067 ( -10.724 -4.957 -0.694) 11.835 24.176 ( 0.178 2.332 1.863) 2.990 24.230 ( -5.195 -0.057 8.198) 9.706 26.480 ( -7.115 0.934 5.106) 8.808 26.686 ( -6.964 -8.903 -2.889) 11.667 27.232 ( 5.474 3.354 0.354) 6.429 27.342 ( 5.471 -2.567 0.446) 6.059 ======================= Grid point 147 (78/128) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -3.291 4.316 2.084) 5.814 1.831 ( 3.739 -10.776 2.256) 11.627 2.075 ( 2.161 4.183 7.271) 8.662 2.221 ( -8.596 -1.459 -0.127) 8.719 2.393 ( -0.957 -4.561 1.595) 4.925 2.462 ( 1.360 -2.413 9.918) 10.297 2.738 ( 2.495 0.499 2.723) 3.727 2.977 ( -0.072 -8.093 -8.887) 12.020 3.149 ( -3.354 3.260 -12.590) 13.430 3.221 ( -4.481 -4.710 -8.762) 10.911 3.464 ( -9.999 -5.233 -21.951) 24.682 3.569 ( -4.170 -8.814 4.094) 10.575 3.810 ( 3.264 2.563 0.067) 4.151 3.957 ( -9.295 -3.259 -9.533) 13.707 4.359 ( 3.872 0.302 9.899) 10.634 4.510 ( 2.968 -4.420 11.498) 12.670 4.737 ( -0.001 4.653 1.719) 4.960 5.059 ( -4.416 -7.987 -8.088) 12.195 5.436 ( 7.008 1.680 -5.191) 8.882 5.680 ( -4.821 -4.714 0.776) 6.788 5.765 ( 1.381 5.535 1.813) 5.986 5.885 ( 6.591 -0.136 -2.887) 7.196 6.103 ( -3.774 4.644 2.885) 6.644 6.140 ( -5.672 1.326 -5.262) 7.849 6.287 ( 5.408 3.175 0.604) 6.300 6.462 ( 3.466 -0.825 1.247) 3.775 6.483 ( -2.552 -4.158 0.090) 4.879 6.704 ( 2.420 -3.832 2.165) 5.023 6.841 ( 2.528 2.744 -3.953) 5.436 6.957 ( 0.564 3.450 1.432) 3.778 7.005 ( 1.805 8.120 -0.778) 8.354 7.094 ( -0.166 2.064 0.598) 2.155 7.147 ( 5.460 4.501 3.492) 7.891 7.321 ( 2.497 -8.505 2.882) 9.321 7.408 ( 1.572 -1.526 1.178) 2.487 7.579 ( -3.331 4.248 -2.343) 5.885 7.781 ( 4.300 -10.867 1.213) 11.749 7.932 ( -4.602 2.582 0.255) 5.283 8.082 ( -0.976 -5.473 -5.122) 7.559 8.294 ( -5.732 -7.575 0.911) 9.543 8.672 ( 4.262 9.269 -1.921) 10.381 8.803 ( 5.310 1.715 -1.747) 5.848 8.979 ( 1.031 7.488 -6.089) 9.706 9.118 ( -5.538 -0.743 -11.252) 12.563 9.300 ( 1.165 3.617 -4.164) 5.637 9.431 ( -3.512 0.115 -4.634) 5.815 9.664 ( -17.605 4.124 -5.504) 18.901 9.835 ( -6.750 4.039 2.182) 8.163 9.938 ( 1.288 -4.898 9.192) 10.494 9.997 ( 4.460 -0.845 -14.269) 14.974 10.197 ( -3.510 0.874 -11.510) 12.065 10.349 ( -5.839 -11.639 1.920) 13.162 10.610 ( 3.410 4.048 -1.175) 5.421 10.885 ( -3.737 -7.298 -5.345) 9.788 11.278 ( 4.919 -4.635 9.100) 11.335 11.341 ( 0.388 -3.583 7.223) 8.072 12.315 ( -3.613 7.299 0.517) 8.161 12.410 ( -3.225 6.797 9.808) 12.361 12.604 ( 0.165 4.923 8.365) 9.708 12.694 ( 2.412 2.629 10.140) 10.749 13.176 ( -4.098 -2.256 -7.564) 8.894 13.204 ( -5.850 -2.709 -5.696) 8.603 13.559 ( 1.114 5.931 15.936) 17.041 13.937 ( -0.273 -5.738 5.685) 8.082 14.061 ( 2.882 -0.760 4.163) 5.120 14.356 ( -0.454 -10.016 -6.854) 12.145 14.761 ( 8.086 3.927 -1.805) 9.168 14.941 ( 2.782 1.887 5.560) 6.497 14.998 ( 5.707 -0.170 2.271) 6.145 15.217 ( -1.296 -4.577 9.062) 10.234 15.895 ( -4.799 7.361 -5.910) 10.590 15.920 ( 11.167 5.672 0.072) 12.525 16.071 ( 6.709 -2.273 2.180) 7.412 16.268 ( -5.424 -9.074 -4.403) 11.452 17.298 ( 7.199 7.255 -3.998) 10.975 17.375 ( 6.374 2.974 -4.539) 8.371 19.200 ( -23.053 1.825 -51.313) 56.283 19.254 ( -24.605 0.080 -51.833) 57.377 20.648 ( 11.404 3.622 14.385) 18.711 20.795 ( 1.590 -1.058 9.051) 9.251 21.128 ( 5.166 -0.854 -3.070) 6.069 21.301 ( -0.611 -5.154 1.634) 5.441 22.043 ( 3.181 2.201 2.887) 4.827 22.106 ( 10.192 -0.847 1.643) 10.358 22.179 ( 2.088 4.044 -5.563) 7.188 22.353 ( -5.255 -6.619 2.328) 8.766 22.990 ( 1.696 5.917 -0.287) 6.162 23.101 ( 2.480 2.276 1.737) 3.787 23.796 ( -4.040 1.205 -0.702) 4.274 23.882 ( -8.943 -3.387 0.322) 9.568 24.206 ( -2.355 0.705 8.042) 8.409 24.251 ( -2.308 -0.537 7.378) 7.749 26.387 ( -6.998 -0.463 1.166) 7.110 26.574 ( -3.107 -9.917 -2.760) 10.752 27.325 ( 4.063 4.965 1.857) 6.679 27.446 ( 4.417 -1.859 3.041) 5.676 ======================= Grid point 148 (79/128) ======================= q-point: (-0.56 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 10.342 -5.599 4.685) 12.659 1.821 ( -7.985 -14.597 -4.640) 17.273 2.016 ( -2.652 0.288 -2.181) 3.446 2.204 ( -5.219 -8.872 -7.137) 12.526 2.366 ( 3.209 2.975 0.770) 4.443 2.603 ( 2.423 -4.416 5.632) 7.556 2.734 ( -7.367 -0.602 -15.366) 17.051 2.845 ( 2.173 -7.396 -14.628) 16.535 2.929 ( -5.578 -2.646 -10.347) 12.049 3.005 ( -1.538 -1.188 -1.374) 2.379 3.296 ( -2.072 -0.823 1.477) 2.674 3.532 ( -4.337 -9.556 3.071) 10.934 3.763 ( -6.924 5.611 -3.360) 9.525 3.809 ( -1.379 4.910 -4.157) 6.579 4.476 ( 2.838 -1.621 3.671) 4.915 4.667 ( 2.971 -5.554 8.967) 10.958 4.767 ( 4.850 -5.034 -3.011) 7.612 4.908 ( -1.738 -5.897 -11.175) 12.755 5.402 ( -7.080 0.638 -6.647) 9.732 5.537 ( -10.856 -7.002 1.310) 12.984 5.700 ( -8.460 5.201 -9.034) 13.425 5.830 ( -3.882 -4.067 -5.162) 7.633 5.977 ( -7.160 2.893 0.353) 7.730 6.169 ( 3.150 -2.957 -1.136) 4.467 6.414 ( -0.193 1.014 4.269) 4.392 6.427 ( 3.203 10.140 -0.125) 10.635 6.482 ( -0.305 -1.700 2.994) 3.456 6.775 ( -4.386 7.517 1.634) 8.855 6.817 ( 3.879 0.297 -2.201) 4.470 6.936 ( -1.150 10.270 -0.973) 10.380 7.032 ( 0.640 1.492 3.176) 3.567 7.074 ( -2.834 2.926 -0.387) 4.092 7.335 ( 5.146 -5.687 2.235) 7.989 7.416 ( 11.880 3.263 1.973) 12.477 7.494 ( 4.993 0.261 -0.170) 5.002 7.559 ( 9.080 3.356 -3.801) 10.400 7.771 ( -10.099 -3.295 -5.095) 11.782 7.891 ( 9.101 -10.470 -3.954) 14.426 8.081 ( 1.556 0.608 2.638) 3.123 8.235 ( -3.061 -7.249 2.064) 8.135 8.704 ( 2.050 5.717 -4.823) 7.755 8.770 ( -6.929 1.216 -3.621) 7.912 8.849 ( -11.994 -3.162 -9.277) 15.489 8.949 ( -0.184 -3.805 -5.706) 6.861 9.250 ( -10.613 12.233 0.659) 16.208 9.310 ( 4.225 6.915 -11.289) 13.896 9.463 ( 4.787 -0.747 -9.477) 10.643 9.661 ( -9.909 1.075 -2.708) 10.329 9.923 ( -2.217 -0.072 -10.706) 10.933 9.987 ( -9.005 -7.435 -0.504) 11.689 10.066 ( 6.509 3.912 -1.582) 7.757 10.371 ( -1.662 -13.270 8.276) 15.727 10.679 ( 7.258 1.579 -5.372) 9.166 10.791 ( 0.360 -6.149 -4.681) 7.736 11.412 ( 0.263 -3.030 9.166) 9.657 11.439 ( 3.094 -4.469 7.395) 9.178 12.296 ( -1.060 6.828 4.577) 8.288 12.402 ( -3.552 4.130 6.425) 8.423 12.739 ( 3.726 10.882 8.870) 14.525 12.851 ( 3.896 5.249 10.277) 12.179 13.060 ( -3.397 -1.779 -0.990) 3.960 13.112 ( -0.419 0.826 -5.513) 5.590 13.698 ( -2.555 5.395 15.129) 16.264 13.981 ( 1.351 -5.069 3.322) 6.210 14.181 ( 2.625 -5.901 5.488) 8.475 14.326 ( 1.799 -8.952 2.302) 9.416 14.884 ( 7.038 5.009 1.222) 8.725 15.026 ( 2.968 2.486 2.780) 4.767 15.119 ( 4.262 -1.103 5.878) 7.344 15.282 ( -0.509 -4.324 8.874) 9.884 15.727 ( -3.717 8.102 -10.595) 13.846 16.030 ( -6.174 -7.007 -7.620) 12.053 16.112 ( 7.177 3.260 4.036) 8.856 16.320 ( 7.160 -7.098 5.306) 11.393 17.308 ( 0.166 8.102 -6.843) 10.606 17.387 ( 0.650 2.793 -7.727) 8.242 18.234 ( -26.974 3.321 -58.902) 64.869 18.354 ( -21.745 -1.478 -58.241) 62.185 20.856 ( 4.158 3.037 6.109) 7.989 20.974 ( 8.027 2.665 6.821) 10.865 21.153 ( 2.066 -3.415 -2.008) 4.468 21.314 ( 0.778 -5.687 -0.751) 5.788 22.047 ( -3.287 4.780 1.835) 6.084 22.215 ( 6.942 3.489 -5.395) 9.459 22.264 ( 3.380 -0.574 -1.706) 3.829 22.287 ( -1.498 -7.178 3.228) 8.012 23.033 ( 1.952 7.437 2.476) 8.078 23.143 ( 0.098 4.036 2.071) 4.538 23.745 ( -1.841 -0.058 -0.095) 1.844 23.788 ( -3.301 -2.347 1.814) 4.438 24.222 ( -5.327 0.195 9.728) 11.093 24.306 ( 1.655 -3.055 6.948) 7.768 26.284 ( -6.000 0.831 1.231) 6.181 26.525 ( 0.053 -11.370 -2.518) 11.645 27.401 ( 2.723 5.492 2.267) 6.536 27.533 ( 3.202 -1.675 1.640) 3.969 ======================= Grid point 149 (80/128) ======================= q-point: (-0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -16.470 -1.668 -16.057) 23.062 1.747 ( 11.341 -5.439 -0.483) 12.587 1.762 ( -7.994 -9.075 -34.179) 36.255 1.961 ( -5.212 -14.836 -7.841) 17.572 2.398 ( -7.505 2.203 -9.216) 12.087 2.482 ( 0.749 4.258 8.044) 9.132 2.627 ( -1.433 -7.101 5.116) 8.869 2.855 ( 1.067 -7.671 -0.464) 7.759 2.923 ( 4.997 -3.801 -0.897) 6.342 3.022 ( 0.880 -3.161 2.910) 4.386 3.331 ( 0.801 2.176 6.753) 7.140 3.482 ( -2.364 -4.209 -1.079) 4.947 3.632 ( -6.138 7.195 -1.957) 9.658 3.716 ( -4.401 7.547 -4.088) 9.646 4.519 ( 0.235 -1.806 -1.779) 2.546 4.718 ( -0.196 -5.349 0.426) 5.370 4.794 ( 0.731 -1.978 -8.542) 8.799 4.897 ( 10.651 -17.139 -3.511) 20.482 5.149 ( -14.224 -1.844 -3.580) 14.783 5.312 ( -11.939 -6.959 -6.739) 15.375 5.434 ( -12.918 0.105 -3.332) 13.342 5.645 ( -9.882 -6.643 -14.450) 18.724 5.889 ( -4.556 5.832 3.742) 8.293 6.090 ( -3.154 -0.337 -6.485) 7.219 6.390 ( -2.127 1.576 2.568) 3.688 6.458 ( -6.310 -1.337 4.519) 7.875 6.618 ( 1.350 8.818 1.915) 9.124 6.752 ( 6.416 7.739 0.407) 10.061 6.793 ( -1.299 5.105 0.413) 5.284 6.924 ( 0.737 14.841 1.543) 14.940 7.056 ( -2.920 0.212 1.393) 3.242 7.093 ( 1.712 -4.389 1.506) 4.946 7.387 ( 0.569 -7.130 -1.484) 7.305 7.499 ( -0.825 0.154 0.873) 1.211 7.536 ( -0.925 -0.385 -1.500) 1.804 7.673 ( 7.107 -3.616 -2.000) 8.222 7.824 ( 12.321 5.997 1.085) 13.746 8.000 ( 9.803 -0.752 -2.340) 10.106 8.146 ( 2.712 -0.110 2.261) 3.533 8.197 ( -2.953 -4.149 0.245) 5.099 8.475 ( -12.972 1.693 -5.023) 14.013 8.606 ( -5.316 -3.543 -7.721) 10.021 8.749 ( 2.596 6.358 0.320) 6.875 8.904 ( -3.578 -2.724 2.788) 5.291 9.147 ( -1.289 4.208 -1.966) 4.820 9.290 ( 1.189 3.275 -8.729) 9.398 9.493 ( 7.847 -1.472 -10.424) 13.130 9.508 ( -0.458 3.231 -9.680) 10.215 9.772 ( -4.843 -2.440 -3.511) 6.460 9.899 ( 1.073 -7.988 -4.151) 9.066 10.150 ( 2.047 0.933 1.895) 2.941 10.361 ( -7.094 -10.710 7.257) 14.754 10.702 ( 2.200 -0.122 -4.198) 4.741 10.860 ( 10.329 -3.680 -6.354) 12.673 11.469 ( -2.343 -1.764 7.077) 7.660 11.538 ( 0.704 -4.533 6.231) 7.738 12.378 ( 5.401 7.111 6.713) 11.171 12.464 ( 5.467 4.418 5.112) 8.691 12.848 ( 2.208 12.030 3.683) 12.774 12.963 ( 0.698 3.702 3.078) 4.865 13.037 ( -2.098 -0.799 3.227) 3.931 13.103 ( 4.674 4.936 -1.835) 7.041 13.753 ( -6.202 7.151 14.711) 17.493 14.001 ( -3.256 -7.419 2.909) 8.609 14.243 ( 4.017 -3.684 0.318) 5.459 14.456 ( 2.980 -9.517 10.732) 14.650 15.021 ( 5.375 3.711 4.665) 8.027 15.115 ( 5.540 -0.396 2.554) 6.113 15.236 ( 2.865 -0.838 5.388) 6.159 15.387 ( 2.718 -1.730 12.482) 12.891 15.579 ( -1.717 6.230 -12.934) 14.458 15.849 ( -5.622 -6.175 -6.467) 10.562 16.239 ( 2.777 2.121 3.973) 5.291 16.437 ( 1.499 -8.536 0.507) 8.681 17.142 ( -13.049 5.055 -20.675) 24.965 17.214 ( -7.918 3.250 -13.727) 16.177 17.339 ( -17.743 6.777 -43.930) 47.860 17.588 ( -12.150 -2.241 -34.836) 36.962 20.947 ( 1.559 3.987 2.614) 5.016 21.091 ( 4.536 6.328 -3.332) 8.469 21.205 ( 1.792 -9.408 2.505) 9.899 21.319 ( 2.825 -4.988 -1.015) 5.821 22.007 ( -2.848 4.376 0.950) 5.307 22.168 ( -6.440 -3.177 -0.215) 7.184 22.292 ( 4.926 0.938 -2.877) 5.781 22.368 ( 5.077 -0.477 -1.943) 5.457 23.077 ( -0.548 7.979 2.489) 8.376 23.140 ( -2.037 5.256 1.416) 5.812 23.729 ( -0.083 0.462 0.439) 0.642 23.786 ( 1.040 -1.375 0.189) 1.734 24.222 ( -4.027 2.178 8.378) 9.548 24.436 ( 5.624 -8.145 7.855) 12.636 26.223 ( -3.480 2.576 3.676) 5.680 26.529 ( 2.940 -12.297 -2.206) 12.835 27.459 ( 1.786 5.092 1.978) 5.748 27.583 ( 2.368 -1.063 -0.748) 2.701 ======================= Grid point 150 (81/128) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -14.124 3.290 -17.142) 22.454 1.289 ( -7.613 -6.592 -20.307) 22.667 1.729 ( -2.923 4.337 -5.814) 7.821 2.103 ( 13.049 -8.453 4.276) 16.125 2.255 ( -9.968 -2.409 4.644) 11.258 2.522 ( -3.383 7.927 2.183) 8.890 2.630 ( -7.521 -12.133 6.472) 15.674 2.815 ( -4.418 -1.892 3.716) 6.075 2.980 ( 2.490 -5.455 -0.373) 6.008 3.121 ( 9.820 -11.119 -4.857) 15.609 3.364 ( -3.890 13.150 0.599) 13.727 3.442 ( 0.640 1.014 0.741) 1.409 3.530 ( -5.357 -0.654 1.692) 5.656 3.642 ( 0.754 7.480 -1.737) 7.716 4.436 ( -5.606 2.908 -1.622) 6.521 4.719 ( 0.360 -9.667 -0.067) 9.674 4.730 ( -5.846 4.135 -0.202) 7.164 4.956 ( -0.423 -0.112 -5.781) 5.797 5.019 ( 5.278 -17.055 -8.091) 19.601 5.148 ( 0.627 -11.723 4.333) 12.514 5.256 ( -6.972 -9.741 2.133) 12.167 5.362 ( -8.886 -7.883 -6.298) 13.445 5.866 ( -4.767 5.802 4.147) 8.578 5.967 ( -4.355 4.757 -5.315) 8.357 6.295 ( -11.954 1.447 3.918) 12.663 6.385 ( -7.825 0.417 3.535) 8.597 6.562 ( -1.753 3.969 -2.301) 4.912 6.783 ( -7.089 5.730 -6.839) 11.395 6.830 ( -8.977 -8.458 0.804) 12.360 6.940 ( 3.288 6.396 1.996) 7.464 6.981 ( 5.145 12.232 2.905) 13.584 7.193 ( 6.699 1.171 5.421) 8.697 7.346 ( -0.889 -2.274 -0.379) 2.471 7.497 ( -0.722 -5.341 0.774) 5.445 7.641 ( 5.233 -1.226 -3.115) 6.212 7.672 ( 1.301 -1.605 1.015) 2.302 7.933 ( 2.505 7.605 -2.443) 8.371 7.980 ( -8.346 2.158 -0.681) 8.647 8.227 ( 2.347 0.635 2.789) 3.699 8.277 ( 7.025 -1.349 -1.867) 7.393 8.397 ( 4.331 3.389 5.399) 7.707 8.553 ( 5.530 -0.020 -5.133) 7.545 8.810 ( 2.473 3.354 2.080) 4.657 8.877 ( -1.314 -1.118 1.110) 2.051 9.138 ( 2.280 1.067 -2.294) 3.405 9.196 ( -4.509 3.480 -0.696) 5.738 9.477 ( 6.757 -8.237 -9.383) 14.196 9.490 ( 3.438 -2.943 -12.190) 13.003 9.757 ( 5.028 -0.568 0.226) 5.065 9.934 ( 5.362 -7.029 -1.573) 8.979 10.158 ( -1.366 -0.443 -0.048) 1.437 10.314 ( -6.444 -9.100 7.763) 13.587 10.699 ( 1.325 3.974 -2.549) 4.903 10.951 ( 8.965 -4.950 -9.291) 13.827 11.460 ( -4.984 -0.789 4.542) 6.789 11.569 ( -2.785 -4.662 4.214) 6.874 12.599 ( 12.043 6.576 5.234) 14.686 12.676 ( 14.795 5.521 3.213) 16.115 12.896 ( 1.514 9.475 1.354) 9.691 12.963 ( 0.206 3.954 -1.729) 4.320 13.016 ( -1.991 1.249 -0.237) 2.362 13.173 ( 4.185 2.680 -5.058) 7.091 13.798 ( -5.463 8.221 19.996) 22.299 13.944 ( -5.514 -4.978 2.509) 7.841 14.323 ( 3.695 -2.686 1.641) 4.854 14.557 ( 0.911 -7.761 3.505) 8.564 15.100 ( 0.198 -0.121 0.841) 0.873 15.247 ( 4.571 -6.157 0.377) 7.678 15.328 ( 3.338 4.757 -0.255) 5.818 15.405 ( -0.248 6.713 -10.978) 12.871 15.614 ( 6.571 -2.343 14.447) 16.043 15.765 ( -2.413 -4.540 -0.888) 5.218 16.261 ( -2.361 -3.228 -1.283) 4.200 16.295 ( -8.621 -5.400 -15.504) 18.543 16.673 ( -11.677 5.228 -13.193) 18.378 16.782 ( -7.062 1.261 -11.142) 13.252 17.103 ( -6.299 6.323 0.393) 8.934 17.234 ( -10.247 0.906 -12.492) 16.183 20.950 ( -1.488 1.666 -1.626) 2.763 21.084 ( -4.203 -2.774 -2.284) 5.530 21.224 ( 4.867 0.913 -3.941) 6.329 21.415 ( 5.825 -5.118 1.718) 7.942 21.966 ( -3.099 3.714 0.735) 4.893 22.052 ( -6.720 -2.370 -0.134) 7.127 22.342 ( 4.212 1.160 -2.702) 5.137 22.420 ( 3.220 -0.128 -1.712) 3.649 23.036 ( -4.830 8.482 -0.242) 9.764 23.114 ( -2.769 4.041 1.075) 5.015 23.750 ( 1.638 0.920 1.174) 2.215 23.809 ( 2.048 -0.904 -1.060) 2.477 24.246 ( -1.043 5.843 5.884) 8.357 24.621 ( 8.600 -12.665 4.666) 16.004 26.241 ( 0.377 3.656 5.978) 7.017 26.582 ( 5.646 -12.389 -2.377) 13.821 27.493 ( 0.202 4.426 1.518) 4.683 27.602 ( 1.473 -0.316 -2.260) 2.716 ======================= Grid point 151 (82/128) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 3.603 6.810 22.621) 23.897 1.285 ( 8.643 -5.053 15.711) 18.630 1.744 ( 4.003 16.408 6.284) 18.020 2.079 ( -14.718 -2.112 7.776) 16.779 2.265 ( -2.069 -13.131 -0.150) 13.294 2.353 ( -9.357 11.434 -3.807) 15.257 2.537 ( -7.824 -6.093 3.518) 10.522 2.847 ( 3.666 -1.055 7.055) 8.020 3.057 ( -0.956 -1.278 2.052) 2.600 3.113 ( 2.111 -2.002 0.893) 3.043 3.325 ( -11.900 10.284 9.868) 18.567 3.471 ( 3.124 1.724 -1.711) 3.957 3.588 ( 14.483 -6.697 -0.620) 15.969 3.696 ( 5.195 4.141 0.056) 6.643 4.399 ( -1.684 4.938 6.700) 8.491 4.645 ( -5.124 6.441 6.671) 10.594 4.728 ( -0.657 -10.968 1.807) 11.135 4.885 ( -3.919 -2.740 3.006) 5.648 5.082 ( 2.423 -10.017 3.340) 10.833 5.199 ( -2.045 -11.650 0.737) 11.851 5.321 ( 4.905 -6.216 5.735) 9.777 5.333 ( 14.219 -11.764 0.671) 18.467 5.717 ( -10.200 9.716 -1.217) 14.139 5.936 ( -0.970 1.020 2.843) 3.172 6.136 ( -7.980 -5.493 0.979) 9.737 6.234 ( -14.392 -5.563 -2.625) 15.651 6.350 ( -11.307 2.047 1.612) 11.603 6.691 ( 3.745 1.449 -2.311) 4.633 6.719 ( -10.306 -1.319 -0.007) 10.390 7.004 ( 4.887 5.827 0.950) 7.664 7.108 ( 1.477 2.825 3.512) 4.743 7.284 ( -7.119 -2.278 2.972) 8.044 7.391 ( 5.658 6.624 1.047) 8.774 7.469 ( 3.073 -0.991 2.613) 4.154 7.641 ( 2.372 1.517 0.181) 2.821 7.801 ( -5.162 2.364 0.118) 5.679 7.841 ( 6.708 -1.277 -1.151) 6.924 7.928 ( -4.153 4.475 1.299) 6.242 8.257 ( 2.725 6.059 -2.451) 7.082 8.345 ( -0.777 -0.987 6.409) 6.531 8.460 ( 0.288 3.130 -3.676) 4.837 8.643 ( 4.311 -2.310 -1.014) 4.995 8.875 ( 5.078 2.354 -1.042) 5.693 8.893 ( 3.430 -0.860 -2.163) 4.145 9.161 ( -0.629 1.944 2.421) 3.168 9.207 ( 7.716 4.238 -0.062) 8.803 9.441 ( 2.934 -7.468 -7.277) 10.832 9.562 ( 6.356 -13.745 2.420) 15.335 9.866 ( 4.565 -0.823 2.088) 5.087 10.021 ( 5.735 -6.352 -2.279) 8.856 10.155 ( 4.248 1.473 -2.545) 5.166 10.270 ( -5.225 -6.197 4.958) 9.502 10.715 ( 1.911 6.881 0.623) 7.169 11.017 ( 8.292 -6.318 -7.423) 12.797 11.385 ( -7.296 -0.301 1.705) 7.499 11.523 ( -5.939 -5.022 2.302) 8.111 12.748 ( 0.119 9.998 1.156) 10.065 12.872 ( 0.985 4.225 -5.333) 6.875 12.948 ( 0.908 2.577 -3.353) 4.326 12.981 ( 9.812 6.948 -6.276) 13.562 13.058 ( 11.587 7.819 -3.417) 14.390 13.117 ( -0.335 -3.876 -3.765) 5.414 13.856 ( -3.687 -3.979 -0.432) 5.442 13.998 ( 3.616 0.953 20.410) 20.750 14.383 ( 1.726 -0.985 0.835) 2.156 14.562 ( 0.271 -5.422 -3.333) 6.370 15.020 ( -8.713 5.574 -21.446) 23.810 15.090 ( 0.047 2.775 -4.318) 5.133 15.304 ( -9.929 -2.852 -14.909) 18.139 15.470 ( 2.268 -7.131 3.598) 8.303 15.628 ( 2.320 4.876 -0.576) 5.430 15.826 ( 7.282 -5.057 8.689) 12.413 16.071 ( -7.430 4.198 -8.055) 11.735 16.239 ( -6.225 -5.614 0.773) 8.418 16.616 ( 0.782 7.284 18.546) 19.941 16.850 ( 2.386 -3.873 14.819) 15.501 17.056 ( 1.368 3.297 15.786) 16.185 17.085 ( 2.679 0.901 14.084) 14.365 20.864 ( -6.617 -1.373 -3.750) 7.729 20.951 ( -6.267 -5.806 -2.405) 8.875 21.293 ( 7.514 6.030 -5.634) 11.160 21.512 ( 3.927 -4.488 1.154) 6.074 21.907 ( -4.965 3.867 0.645) 6.327 21.951 ( -4.377 -2.245 -1.269) 5.080 22.389 ( 3.625 0.559 -1.403) 3.927 22.446 ( 1.368 0.768 -1.228) 1.992 22.943 ( -4.155 8.004 -1.917) 9.220 23.059 ( -4.085 2.086 -0.018) 4.586 23.805 ( 2.863 0.706 2.668) 3.977 23.837 ( 2.223 -0.537 -0.516) 2.344 24.283 ( 0.695 9.424 2.079) 9.676 24.775 ( 7.267 -15.025 -1.975) 16.807 26.337 ( 4.120 3.556 5.727) 7.901 26.667 ( 7.261 -11.431 -3.207) 13.917 27.484 ( -2.847 3.476 0.795) 4.563 27.579 ( -1.550 -0.377 -3.768) 4.092 ======================= Grid point 152 (83/128) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 6.277 7.437 29.839) 31.386 1.657 ( 11.990 2.865 14.819) 19.276 1.766 ( -15.608 6.606 15.618) 23.047 2.058 ( -14.657 -10.630 4.172) 18.580 2.144 ( 10.448 -6.517 21.360) 24.656 2.365 ( 5.315 5.357 5.288) 9.215 2.440 ( -2.145 3.118 -2.999) 4.829 2.934 ( -4.933 -0.179 8.184) 9.557 3.079 ( -0.571 15.693 11.498) 19.463 3.183 ( -14.375 11.770 15.886) 24.445 3.241 ( 4.501 -8.895 1.481) 10.079 3.538 ( 8.079 2.479 -2.281) 8.753 3.758 ( 8.147 0.896 -7.778) 11.300 3.873 ( 12.632 -4.418 2.128) 13.551 4.411 ( -0.879 1.117 2.189) 2.610 4.606 ( -4.717 -9.450 -2.156) 10.779 4.865 ( 2.920 -2.239 4.056) 5.476 4.903 ( 4.006 -2.113 15.755) 16.393 5.106 ( -1.256 -5.625 5.140) 7.723 5.251 ( 2.964 -9.653 6.734) 12.137 5.475 ( 1.543 2.916 9.180) 9.754 5.566 ( 7.031 6.080 -4.327) 10.253 5.622 ( 4.063 -2.970 4.657) 6.857 5.928 ( -1.609 -4.198 0.574) 4.533 6.003 ( -4.591 -4.242 2.636) 6.784 6.134 ( 5.661 -15.493 0.308) 16.498 6.262 ( -3.943 -0.039 2.248) 4.539 6.568 ( -5.619 -6.376 -0.875) 8.544 6.736 ( 2.855 2.994 -1.340) 4.348 6.992 ( -7.041 -1.270 -3.755) 8.080 7.106 ( -5.854 2.196 -0.602) 6.281 7.132 ( -6.690 -0.098 5.341) 8.561 7.442 ( -0.919 8.743 1.304) 8.887 7.609 ( -2.671 2.043 3.052) 4.542 7.676 ( 1.535 -0.658 1.284) 2.107 7.738 ( -1.933 2.466 8.343) 8.912 7.830 ( -0.601 4.743 -0.785) 4.845 8.009 ( 6.615 0.574 3.772) 7.637 8.285 ( 4.143 5.763 -3.446) 7.890 8.347 ( -6.159 6.485 -3.848) 9.737 8.428 ( 4.603 -1.129 1.477) 4.964 8.642 ( -3.960 -7.018 1.298) 8.162 8.878 ( -2.125 5.087 0.612) 5.547 9.000 ( 9.068 -1.250 -3.121) 9.671 9.197 ( 4.065 1.630 0.670) 4.431 9.393 ( 11.107 4.504 1.907) 12.136 9.459 ( 2.654 -9.417 0.684) 9.808 9.674 ( -0.723 -13.619 6.184) 14.975 9.925 ( 0.786 0.117 2.050) 2.199 10.074 ( 5.279 -6.279 -2.025) 8.450 10.268 ( 8.076 1.716 0.247) 8.260 10.287 ( 6.928 -0.821 -0.913) 7.036 10.775 ( 1.440 6.740 5.510) 8.823 11.067 ( 1.613 -8.342 -4.460) 9.596 11.257 ( -5.797 1.453 -3.251) 6.804 11.428 ( -6.753 -5.278 1.792) 8.756 12.613 ( -9.583 10.673 -12.114) 18.775 12.766 ( -6.118 5.394 -5.004) 9.569 12.899 ( -2.476 7.950 -4.522) 9.475 12.962 ( 3.485 8.616 -2.531) 9.633 13.164 ( 6.345 3.434 -5.449) 9.041 13.298 ( 11.062 -3.025 1.163) 11.527 13.775 ( -3.506 -3.665 -3.942) 6.424 14.200 ( 3.372 -9.817 3.867) 11.077 14.393 ( -0.393 0.746 -0.531) 0.997 14.525 ( 0.734 -3.989 -5.834) 7.105 14.696 ( -6.778 0.207 -17.869) 19.112 14.782 ( -16.250 -5.417 -13.455) 21.782 15.139 ( -1.420 7.034 -4.373) 8.403 15.450 ( -6.338 -6.447 -4.494) 10.096 15.777 ( -9.233 7.266 -9.286) 14.976 15.858 ( 13.728 8.878 7.941) 18.175 16.015 ( -8.041 -3.533 -3.654) 9.513 16.180 ( 15.016 -6.750 8.541) 18.547 16.696 ( -7.415 9.365 10.283) 15.761 16.855 ( -5.093 0.060 6.847) 8.533 17.554 ( 22.116 4.797 49.217) 54.171 17.953 ( 41.030 -19.657 59.132) 74.608 20.685 ( -8.899 0.277 -2.833) 9.343 20.848 ( -3.553 -6.753 -3.880) 8.561 21.361 ( 7.369 6.526 -7.040) 12.102 21.561 ( 0.410 -3.212 0.912) 3.364 21.804 ( -6.825 4.067 -1.555) 8.095 21.877 ( -2.311 -2.972 -2.902) 4.753 22.425 ( -1.072 0.437 1.037) 1.554 22.448 ( 2.089 1.836 -1.859) 3.345 22.886 ( -0.015 6.042 -2.153) 6.414 22.993 ( -2.523 0.785 -1.130) 2.874 23.875 ( 2.244 0.524 0.791) 2.436 23.894 ( 3.381 0.221 4.770) 5.851 24.294 ( 0.195 10.874 -1.722) 11.011 24.805 ( 1.250 -14.404 -8.134) 16.589 26.461 ( 4.589 4.156 3.917) 7.326 26.761 ( 7.360 -9.571 -3.696) 12.627 27.403 ( -7.056 1.572 -0.353) 7.238 27.467 ( -6.374 -1.068 -5.387) 8.413 ======================= Grid point 153 (84/128) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -7.809 -8.123 5.211) 12.415 1.616 ( -7.809 8.123 5.211) 12.415 1.943 ( -0.167 -3.329 17.025) 17.348 1.943 ( -0.167 3.329 17.025) 17.348 2.384 ( 7.674 -4.848 11.711) 14.817 2.384 ( 7.674 4.848 11.711) 14.817 2.876 ( -1.097 -12.695 13.609) 18.643 2.876 ( -1.097 12.695 13.609) 18.643 3.228 ( 1.075 -3.523 3.350) 4.979 3.228 ( 1.075 3.523 3.350) 4.979 3.497 ( -2.448 -20.098 2.884) 20.451 3.497 ( -2.448 20.098 2.884) 20.451 3.905 ( 3.653 -10.807 1.133) 11.464 3.905 ( 3.653 10.807 1.133) 11.464 4.435 ( 3.245 -4.556 -5.161) 7.611 4.435 ( 3.245 4.556 -5.161) 7.611 4.871 ( -4.835 -0.862 6.599) 8.226 4.871 ( -4.835 0.862 6.599) 8.226 5.291 ( 10.747 -2.264 2.853) 11.348 5.291 ( 10.747 2.264 2.853) 11.348 5.581 ( -3.902 -6.201 5.248) 9.012 5.581 ( -3.902 6.201 5.248) 9.012 5.853 ( 8.247 -10.201 -1.774) 13.237 5.853 ( 8.247 10.201 -1.774) 13.237 6.129 ( 11.881 -6.183 5.259) 14.389 6.129 ( 11.881 6.183 5.259) 14.389 6.333 ( 3.307 -9.094 -1.565) 9.803 6.333 ( 3.307 9.094 -1.565) 9.803 6.791 ( -4.757 -1.701 -1.336) 5.226 6.791 ( -4.757 1.701 -1.336) 5.226 7.026 ( -7.050 -1.816 0.969) 7.344 7.026 ( -7.050 1.816 0.969) 7.344 7.518 ( -10.466 -4.706 5.002) 12.518 7.518 ( -10.466 4.706 5.002) 12.518 7.640 ( -3.310 -7.102 -0.044) 7.835 7.640 ( -3.310 7.102 -0.044) 7.835 8.085 ( 1.093 -7.795 7.894) 11.148 8.085 ( 1.093 7.795 7.894) 11.148 8.309 ( -5.719 -8.257 -3.974) 10.801 8.309 ( -5.719 8.257 -3.974) 10.801 8.499 ( 3.962 -3.300 0.723) 5.207 8.499 ( 3.962 3.300 0.723) 5.207 9.063 ( 7.618 -6.562 -1.563) 10.176 9.063 ( 7.618 6.562 -1.563) 10.176 9.354 ( 2.753 -6.932 3.906) 8.419 9.354 ( 2.753 6.932 3.906) 8.419 9.576 ( -1.073 -2.681 5.433) 6.153 9.576 ( -1.073 2.681 5.433) 6.153 10.098 ( 11.224 -6.093 -1.651) 12.877 10.098 ( 11.224 6.093 -1.651) 12.877 10.419 ( 7.065 -1.879 0.429) 7.324 10.419 ( 7.065 1.879 0.429) 7.324 10.844 ( -8.370 -0.340 -0.171) 8.379 10.844 ( -8.370 0.340 -0.171) 8.379 11.267 ( -0.166 -5.561 -1.453) 5.750 11.267 ( -0.166 5.561 -1.453) 5.750 12.548 ( -7.620 -8.290 -6.196) 12.852 12.548 ( -7.620 8.290 -6.196) 12.852 12.992 ( -4.488 -10.610 -8.538) 14.339 12.992 ( -4.488 10.610 -8.538) 14.339 13.275 ( 4.100 -13.007 2.170) 13.809 13.275 ( 4.100 13.007 2.170) 13.809 13.824 ( -7.943 -15.647 -3.064) 17.814 13.824 ( -7.943 15.647 -3.064) 17.814 14.415 ( -1.799 -2.874 -4.083) 5.308 14.415 ( -1.799 2.874 -4.083) 5.308 14.527 ( 4.238 -1.637 -9.024) 10.103 14.527 ( 4.238 1.637 -9.024) 10.103 15.134 ( -9.853 -6.883 -1.755) 12.146 15.134 ( -9.853 6.883 -1.755) 12.146 15.736 ( -0.710 -8.220 -9.358) 12.476 15.736 ( -0.710 8.220 -9.358) 12.476 16.368 ( 9.118 -6.880 6.939) 13.365 16.368 ( 9.118 6.880 6.939) 13.365 16.829 ( 1.535 -4.213 6.686) 8.050 16.829 ( 1.535 4.213 6.686) 8.050 18.724 ( 30.105 -17.369 57.693) 67.353 18.724 ( 30.105 17.369 57.693) 67.353 20.642 ( -0.993 -5.126 -5.965) 7.928 20.642 ( -0.993 5.126 -5.965) 7.928 21.468 ( -2.176 -2.948 -4.663) 5.931 21.468 ( -2.176 2.948 -4.663) 5.931 21.752 ( -1.355 -3.969 -3.689) 5.585 21.752 ( -1.355 3.969 -3.689) 5.585 22.437 ( -2.013 -2.393 0.250) 3.137 22.437 ( -2.013 2.393 0.250) 3.137 22.956 ( 1.816 -1.710 -1.890) 3.130 22.956 ( 1.816 1.710 -1.890) 3.130 23.970 ( 2.161 -2.459 4.881) 5.877 23.970 ( 2.161 2.459 4.881) 5.877 24.455 ( -3.792 -11.624 -6.917) 14.048 24.455 ( -3.792 11.624 -6.917) 14.048 26.683 ( 3.239 -8.361 0.395) 8.975 26.683 ( 3.239 8.361 0.395) 8.975 27.269 ( -6.682 -1.764 -3.868) 7.920 27.269 ( -6.682 1.764 -3.868) 7.920 ======================= Grid point 155 (85/128) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -2.371 -5.237 5.280) 7.805 1.575 ( -2.371 5.237 5.280) 7.805 2.065 ( 0.485 -6.088 10.169) 11.862 2.065 ( 0.485 6.088 10.169) 11.862 2.542 ( -1.080 -6.643 7.157) 9.824 2.542 ( -1.080 6.643 7.157) 9.824 2.895 ( -8.702 -16.250 8.036) 20.109 2.895 ( -8.702 16.250 8.036) 20.109 3.268 ( 0.402 -4.216 0.315) 4.246 3.268 ( 0.402 4.216 0.315) 4.246 3.521 ( 2.084 -12.302 4.054) 13.120 3.521 ( 2.084 12.302 4.054) 13.120 3.957 ( 1.008 -4.153 5.448) 6.924 3.957 ( 1.008 4.153 5.448) 6.924 4.387 ( -3.001 -10.114 -8.471) 13.529 4.387 ( -3.001 10.114 -8.471) 13.529 4.892 ( -0.595 -7.598 7.725) 10.852 4.892 ( -0.595 7.598 7.725) 10.852 5.458 ( 7.605 -3.845 -1.825) 8.715 5.458 ( 7.605 3.845 -1.825) 8.715 5.591 ( 3.421 -5.537 1.510) 6.681 5.591 ( 3.421 5.537 1.510) 6.681 6.035 ( 12.598 -8.793 -1.799) 15.468 6.035 ( 12.598 8.793 -1.799) 15.468 6.291 ( 6.614 -6.602 1.454) 9.458 6.291 ( 6.614 6.602 1.454) 9.458 6.435 ( 6.325 -4.545 -3.719) 8.631 6.435 ( 6.325 4.545 -3.719) 8.631 6.738 ( 0.385 -2.655 0.162) 2.688 6.738 ( 0.385 2.655 0.162) 2.688 6.960 ( -1.529 -3.290 3.223) 4.853 6.960 ( -1.529 3.290 3.223) 4.853 7.387 ( -9.186 -1.205 4.134) 10.145 7.387 ( -9.186 1.205 4.134) 10.145 7.549 ( -9.506 -7.358 3.340) 12.476 7.549 ( -9.506 7.358 3.340) 12.476 8.092 ( -4.606 -9.918 -1.936) 11.105 8.092 ( -4.606 9.918 -1.936) 11.105 8.203 ( -4.228 -10.335 3.566) 11.722 8.203 ( -4.228 10.335 3.566) 11.722 8.592 ( 5.743 -1.645 0.672) 6.011 8.592 ( 5.743 1.645 0.672) 6.011 9.174 ( 5.771 -6.089 -0.544) 8.407 9.174 ( 5.771 6.089 -0.544) 8.407 9.424 ( 2.469 -3.552 -0.201) 4.330 9.424 ( 2.469 3.552 -0.201) 4.330 9.612 ( 0.103 -3.260 7.475) 8.155 9.612 ( 0.103 3.260 7.475) 8.155 10.223 ( 4.174 -3.328 -7.137) 8.912 10.223 ( 4.174 3.328 -7.137) 8.912 10.476 ( -1.386 -3.084 -0.187) 3.386 10.476 ( -1.386 3.084 -0.187) 3.386 10.728 ( -3.084 -11.935 2.582) 12.595 10.728 ( -3.084 11.935 2.582) 12.595 11.244 ( -0.787 -7.664 -3.648) 8.525 11.244 ( -0.787 7.664 -3.648) 8.525 12.423 ( -3.725 -9.450 1.585) 10.281 12.423 ( -3.725 9.450 1.585) 10.281 12.775 ( -8.825 -7.500 -8.700) 14.485 12.775 ( -8.825 7.500 -8.700) 14.485 13.392 ( 0.956 -9.523 9.920) 13.784 13.392 ( 0.956 9.523 9.920) 13.784 13.629 ( -7.900 -8.689 -6.596) 13.469 13.629 ( -7.900 8.689 -6.596) 13.469 14.343 ( -1.278 -5.974 -7.100) 9.367 14.343 ( -1.278 5.974 -7.100) 9.367 14.592 ( 9.333 -4.801 -4.954) 11.606 14.592 ( 9.333 4.801 -4.954) 11.606 15.008 ( -5.570 -7.372 5.123) 10.565 15.008 ( -5.570 7.372 5.123) 10.565 15.716 ( 6.349 -7.770 -6.435) 11.920 15.716 ( 6.349 7.770 -6.435) 11.920 16.411 ( -5.609 -6.268 1.068) 8.479 16.411 ( -5.609 6.268 1.068) 8.479 17.023 ( 12.934 -4.404 3.559) 14.119 17.023 ( 12.934 4.404 3.559) 14.119 19.608 ( 17.842 -13.368 41.355) 46.981 19.608 ( 17.842 13.368 41.355) 46.981 20.568 ( 1.778 -5.521 -14.417) 15.540 20.568 ( 1.778 5.521 -14.417) 15.540 21.311 ( -8.573 -5.775 -5.298) 11.616 21.311 ( -8.573 5.775 -5.298) 11.616 21.770 ( 5.895 -4.507 -1.494) 7.569 21.770 ( 5.895 4.507 -1.494) 7.569 22.390 ( -3.560 -3.842 0.211) 5.242 22.390 ( -3.560 3.842 0.211) 5.242 22.988 ( 3.449 -0.391 -1.744) 3.885 22.988 ( 3.449 0.391 -1.744) 3.885 24.034 ( -0.648 -4.662 4.283) 6.364 24.034 ( -0.648 4.662 4.283) 6.364 24.300 ( -7.085 -6.246 -4.309) 10.382 24.300 ( -7.085 6.246 -4.309) 10.382 26.665 ( -6.536 -8.153 1.925) 10.625 26.665 ( -6.536 8.153 1.925) 10.625 27.206 ( 3.466 -2.972 -3.079) 5.507 27.206 ( 3.466 2.972 -3.079) 5.507 ======================= Grid point 157 (86/128) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -0.112 -7.194 2.119) 7.500 1.601 ( -0.112 7.194 2.119) 7.500 2.161 ( 0.167 -9.862 9.557) 13.734 2.161 ( 0.167 9.862 9.557) 13.734 2.456 ( -13.366 -3.454 4.569) 14.542 2.456 ( -13.366 3.454 4.569) 14.542 2.820 ( -1.486 -14.546 -1.414) 14.690 2.820 ( -1.486 14.546 -1.414) 14.690 3.263 ( -0.034 -1.384 -1.222) 1.847 3.263 ( -0.034 1.384 -1.222) 1.847 3.567 ( -0.094 -7.400 -3.290) 8.099 3.567 ( -0.094 7.400 -3.290) 8.099 3.972 ( -3.743 -10.820 -3.721) 12.038 3.972 ( -3.743 10.820 -3.721) 12.038 4.303 ( 0.154 -6.116 5.210) 8.035 4.303 ( 0.154 6.116 5.210) 8.035 4.933 ( -1.822 -11.134 3.203) 11.727 4.933 ( -1.822 11.134 3.203) 11.727 5.520 ( 4.646 -9.443 -4.887) 11.604 5.520 ( 4.646 9.443 -4.887) 11.604 5.724 ( 8.903 -2.561 1.531) 9.389 5.724 ( 8.903 2.561 1.531) 9.389 6.173 ( 4.323 -2.965 -0.384) 5.256 6.173 ( 4.323 2.965 -0.384) 5.256 6.365 ( 4.882 -11.029 -10.118) 15.743 6.365 ( 4.882 11.029 -10.118) 15.743 6.501 ( 2.517 -10.463 5.670) 12.164 6.501 ( 2.517 10.463 5.670) 12.164 6.789 ( 5.862 -4.349 0.552) 7.320 6.789 ( 5.862 4.349 0.552) 7.320 7.038 ( 5.014 -6.304 3.518) 8.790 7.038 ( 5.014 6.304 3.518) 8.790 7.289 ( -7.268 -3.015 2.950) 8.403 7.289 ( -7.268 3.015 2.950) 8.403 7.423 ( -6.673 -11.022 4.536) 13.660 7.423 ( -6.673 11.022 4.536) 13.660 7.969 ( -5.685 -11.726 -3.928) 13.610 7.969 ( -5.685 11.726 -3.928) 13.610 8.177 ( -3.627 -10.796 2.972) 11.770 8.177 ( -3.627 10.796 2.972) 11.770 8.699 ( 6.553 -1.972 -0.288) 6.850 8.699 ( 6.553 1.972 -0.288) 6.850 9.218 ( 0.242 -6.159 -3.020) 6.864 9.218 ( 0.242 6.159 -3.020) 6.864 9.414 ( 0.592 -2.541 -6.609) 7.105 9.414 ( 0.592 2.541 -6.609) 7.105 9.732 ( 3.464 -3.712 10.735) 11.875 9.732 ( 3.464 3.712 10.735) 11.875 10.081 ( -8.283 -8.670 -9.049) 15.022 10.081 ( -8.283 8.670 -9.049) 15.022 10.396 ( -6.041 -6.732 -4.566) 10.132 10.396 ( -6.041 6.732 -4.566) 10.132 10.752 ( 1.826 -13.688 -1.158) 13.858 10.752 ( 1.826 13.688 -1.158) 13.858 11.204 ( -0.335 -7.490 0.723) 7.532 11.204 ( -0.335 7.490 0.723) 7.532 12.444 ( -0.975 -3.930 6.946) 8.040 12.444 ( -0.975 3.930 6.946) 8.040 12.610 ( -4.731 -2.937 1.897) 5.883 12.610 ( -4.731 2.937 1.897) 5.883 13.331 ( -8.231 -3.541 -6.390) 11.006 13.331 ( -8.231 3.541 -6.390) 11.006 13.602 ( 0.904 -11.839 11.544) 16.560 13.602 ( 0.904 11.839 11.544) 16.560 14.246 ( -0.728 -9.514 -9.237) 13.281 14.246 ( -0.728 9.514 -9.237) 13.281 14.721 ( 8.932 -5.878 -1.386) 10.782 14.721 ( 8.932 5.878 -1.386) 10.782 15.029 ( -0.335 -7.863 7.923) 11.168 15.029 ( -0.335 7.863 7.923) 11.168 15.818 ( 9.999 -5.209 -2.181) 11.483 15.818 ( 9.999 5.209 -2.181) 11.483 16.275 ( -8.249 -7.495 -3.294) 11.622 16.275 ( -8.249 7.495 -3.294) 11.622 17.251 ( 11.600 -3.247 -0.603) 12.061 17.251 ( 11.600 3.247 -0.603) 12.061 19.881 ( -9.093 -3.044 -13.585) 16.629 19.881 ( -9.093 3.044 -13.585) 16.629 20.511 ( 6.988 -13.236 0.609) 14.979 20.511 ( 6.988 13.236 0.609) 14.979 21.188 ( -1.931 -8.852 -0.403) 9.069 21.188 ( -1.931 8.852 -0.403) 9.069 21.903 ( 8.938 -1.874 2.041) 9.357 21.903 ( 8.938 1.874 2.041) 9.357 22.325 ( -3.983 -4.617 -0.314) 6.106 22.325 ( -3.983 4.617 -0.314) 6.106 23.033 ( 3.128 -1.917 -0.571) 3.713 23.033 ( 3.128 1.917 -0.571) 3.713 23.972 ( -7.777 -5.023 -1.464) 9.373 23.972 ( -7.777 5.023 -1.464) 9.373 24.215 ( -3.397 -1.619 5.659) 6.796 24.215 ( -3.397 1.619 5.659) 6.796 26.544 ( -7.607 -5.916 0.049) 9.637 26.544 ( -7.607 5.916 0.049) 9.637 27.289 ( 6.319 -2.953 0.566) 6.998 27.289 ( 6.319 2.953 0.566) 6.998 ======================= Grid point 159 (87/128) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -4.312 -15.310 0.580) 15.917 1.574 ( -4.312 15.310 0.580) 15.917 2.186 ( -6.355 -4.266 4.315) 8.786 2.186 ( -6.355 4.266 4.315) 8.786 2.365 ( 0.423 -4.173 6.151) 7.445 2.365 ( 0.423 4.173 6.151) 7.445 2.816 ( 2.858 -7.108 -3.311) 8.346 2.816 ( 2.858 7.108 -3.311) 8.346 3.185 ( -5.111 -0.434 -14.451) 15.335 3.185 ( -5.111 0.434 -14.451) 15.335 3.428 ( -5.855 -3.489 -6.116) 9.158 3.428 ( -5.855 3.489 -6.116) 9.158 3.884 ( -1.988 -4.524 -0.977) 5.037 3.884 ( -1.988 4.524 -0.977) 5.037 4.418 ( 2.869 -4.583 8.253) 9.867 4.418 ( 2.869 4.583 8.253) 9.867 4.885 ( -2.994 -9.683 -3.444) 10.704 4.885 ( -2.994 9.683 -3.444) 10.704 5.535 ( 2.935 -8.391 -6.759) 11.167 5.535 ( 2.935 8.391 -6.759) 11.167 5.852 ( 2.246 -3.180 0.251) 3.901 5.852 ( 2.246 3.180 0.251) 3.901 6.146 ( -6.761 -1.552 1.731) 7.149 6.146 ( -6.761 1.552 1.731) 7.149 6.384 ( 5.209 -5.716 -2.046) 7.999 6.384 ( 5.209 5.716 -2.046) 7.999 6.558 ( 2.445 -9.372 0.923) 9.729 6.558 ( 2.445 9.372 0.923) 9.729 6.933 ( 6.496 -4.879 1.575) 8.275 6.933 ( 6.496 4.879 1.575) 8.275 7.104 ( -2.727 -1.137 1.949) 3.540 7.104 ( -2.727 1.137 1.949) 3.540 7.242 ( 4.110 -2.954 0.678) 5.107 7.242 ( 4.110 2.954 0.678) 5.107 7.454 ( 5.514 -10.345 1.955) 11.884 7.454 ( 5.514 10.345 1.955) 11.884 7.830 ( -7.486 -9.755 -1.861) 12.436 7.830 ( -7.486 9.755 -1.861) 12.436 8.137 ( -2.074 -8.150 -0.229) 8.413 8.137 ( -2.074 8.150 -0.229) 8.413 8.790 ( 3.809 -3.542 -0.279) 5.209 8.790 ( 3.809 3.542 -0.279) 5.209 9.077 ( -7.911 -3.477 -11.837) 14.656 9.077 ( -7.911 3.477 -11.837) 14.656 9.392 ( 4.517 -4.691 -5.838) 8.746 9.392 ( 4.517 4.691 -5.838) 8.746 9.788 ( -12.038 -8.262 -2.194) 14.765 9.788 ( -12.038 8.262 -2.194) 14.765 9.937 ( -0.173 -5.016 8.225) 9.636 9.937 ( -0.173 5.016 8.225) 9.636 10.222 ( -3.078 -2.738 -11.536) 12.249 10.222 ( -3.078 2.738 -11.536) 12.249 10.731 ( 0.597 -8.301 -6.053) 10.291 10.731 ( 0.597 8.301 -6.053) 10.291 11.268 ( 2.388 -2.912 7.711) 8.581 11.268 ( 2.388 2.912 7.711) 8.581 12.423 ( -5.359 -3.877 4.179) 7.824 12.423 ( -5.359 3.877 4.179) 7.824 12.705 ( 4.087 -3.583 13.480) 14.534 12.705 ( 4.087 3.583 13.480) 14.534 13.151 ( -5.122 -1.105 -6.149) 8.079 13.151 ( -5.122 1.105 -6.149) 8.079 13.739 ( -0.122 -11.860 15.347) 19.396 13.739 ( -0.122 11.860 15.347) 19.396 14.169 ( 1.358 -9.129 -7.646) 11.985 14.169 ( 1.358 9.129 -7.646) 11.985 14.857 ( 7.410 -5.969 0.693) 9.540 14.857 ( 7.410 5.969 0.693) 9.540 15.107 ( 0.785 -6.925 7.219) 10.034 15.107 ( 0.785 6.925 7.219) 10.034 15.982 ( 6.953 -2.283 0.810) 7.363 15.982 ( 6.953 2.283 0.810) 7.363 16.105 ( -4.234 -7.647 -5.656) 10.411 16.105 ( -4.234 7.647 -5.656) 10.411 17.388 ( 6.895 -2.023 -3.999) 8.224 17.388 ( 6.895 2.023 -3.999) 8.224 19.237 ( -23.356 -1.751 -51.744) 56.798 19.237 ( -23.356 1.751 -51.744) 56.798 20.727 ( 8.037 -4.721 10.339) 13.920 20.727 ( 8.037 4.721 10.339) 13.920 21.193 ( 1.660 -5.933 -1.011) 6.243 21.193 ( 1.660 5.933 -1.011) 6.243 22.078 ( 7.613 -1.942 3.430) 8.573 22.078 ( 7.613 1.942 3.430) 8.573 22.257 ( -2.667 -4.228 -1.442) 5.203 22.257 ( -2.667 4.228 -1.442) 5.203 23.086 ( 2.580 -3.659 1.725) 4.798 23.086 ( 2.580 3.659 1.725) 4.798 23.828 ( -7.106 -2.284 0.204) 7.467 23.828 ( -7.106 2.284 0.204) 7.467 24.229 ( -3.246 -1.588 7.964) 8.745 24.229 ( -3.246 1.588 7.964) 8.745 26.430 ( -4.985 -5.178 -1.493) 7.341 26.430 ( -4.985 5.178 -1.493) 7.341 27.399 ( 4.710 -3.143 2.341) 6.127 27.399 ( 4.710 3.143 2.341) 6.127 ======================= Grid point 161 (88/128) ======================= q-point: (-0.56 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -0.442 -13.020 0.700) 13.047 1.525 ( -0.442 13.020 0.700) 13.047 2.077 ( -6.957 -5.137 -7.600) 11.514 2.077 ( -6.957 5.137 -7.600) 11.514 2.478 ( 4.512 -7.971 5.487) 10.677 2.478 ( 4.512 7.971 5.487) 10.677 2.734 ( -5.664 -2.550 -20.460) 21.382 2.734 ( -5.664 2.550 -20.460) 21.382 2.956 ( -0.902 -3.483 -2.197) 4.215 2.956 ( -0.902 3.483 -2.197) 4.215 3.362 ( -2.317 -7.222 3.037) 8.170 3.362 ( -2.317 7.222 3.037) 8.170 3.842 ( -3.018 -1.748 -0.882) 3.598 3.842 ( -3.018 1.748 -0.882) 3.598 4.518 ( 3.084 -5.980 3.076) 7.398 4.518 ( 3.084 5.980 3.076) 7.398 4.797 ( -0.528 -5.194 -8.220) 9.738 4.797 ( -0.528 5.194 -8.220) 9.738 5.445 ( -8.970 -3.409 -4.732) 10.699 5.445 ( -8.970 3.409 -4.732) 10.699 5.761 ( -5.932 -2.786 -8.166) 10.471 5.761 ( -5.932 2.786 -8.166) 10.471 6.074 ( -4.955 -6.383 2.393) 8.427 6.074 ( -4.955 6.383 2.393) 8.427 6.425 ( -1.792 -2.092 2.976) 4.055 6.425 ( -1.792 2.092 2.976) 4.055 6.684 ( 12.102 -11.969 0.362) 17.025 6.684 ( 12.102 11.969 0.362) 17.025 6.936 ( -7.515 -7.539 0.603) 10.662 6.936 ( -7.515 7.539 0.603) 10.662 7.096 ( 1.855 -5.141 1.927) 5.795 7.096 ( 1.855 5.141 1.927) 5.795 7.350 ( 5.662 -8.122 -1.214) 9.975 7.350 ( 5.662 8.122 -1.214) 9.975 7.590 ( 5.025 -4.120 -3.281) 7.279 7.590 ( 5.025 4.120 -3.281) 7.279 7.739 ( 4.117 -3.244 0.516) 5.267 7.739 ( 4.117 3.244 0.516) 5.267 8.119 ( -0.408 -4.221 1.225) 4.414 8.119 ( -0.408 4.221 1.225) 4.414 8.756 ( -9.095 -2.698 -5.091) 10.767 8.756 ( -9.095 2.698 -5.091) 10.767 8.873 ( -2.014 -4.010 -4.279) 6.201 8.873 ( -2.014 4.010 -4.279) 6.201 9.413 ( 2.523 -4.504 -12.652) 13.665 9.413 ( 2.523 4.504 -12.652) 13.665 9.527 ( -7.818 -14.413 -0.936) 16.423 9.527 ( -7.818 14.413 -0.936) 16.423 9.915 ( -8.679 -1.383 -0.959) 8.840 9.915 ( -8.679 1.383 -0.959) 8.840 10.184 ( 4.147 -7.281 -1.365) 8.489 10.184 ( 4.147 7.281 -1.365) 8.489 10.711 ( 5.053 -2.607 -7.003) 9.021 10.711 ( 5.053 2.607 -7.003) 9.021 11.386 ( 1.787 -0.776 8.815) 9.028 11.386 ( 1.787 0.776 8.815) 9.028 12.396 ( -2.624 -3.547 6.020) 7.464 12.396 ( -2.624 3.547 6.020) 7.464 12.906 ( 4.656 -2.775 12.176) 13.328 12.906 ( 4.656 2.775 12.176) 13.328 13.053 ( -1.645 -3.493 -3.383) 5.133 13.053 ( -1.645 3.493 -3.383) 5.133 13.853 ( -2.431 -9.338 12.957) 16.156 13.853 ( -2.431 9.338 12.957) 16.156 14.171 ( 3.733 -5.405 -0.493) 6.587 14.171 ( 3.733 5.405 -0.493) 6.587 14.981 ( 5.191 -5.072 2.801) 7.779 14.981 ( 5.191 5.072 2.801) 7.779 15.185 ( 1.723 -5.768 6.180) 8.628 15.185 ( 1.723 5.768 6.180) 8.628 15.881 ( -5.458 -8.305 -9.292) 13.605 15.881 ( -5.458 8.305 -9.292) 13.605 16.200 ( 7.073 -5.686 3.901) 9.878 16.200 ( 7.073 5.686 3.901) 9.878 17.403 ( 0.452 -1.853 -6.929) 7.187 17.403 ( 0.452 1.853 -6.929) 7.187 18.302 ( -24.402 -3.650 -58.975) 63.929 18.302 ( -24.402 3.650 -58.975) 63.929 20.931 ( 6.551 -4.722 6.983) 10.676 20.931 ( 6.551 4.722 6.983) 10.676 21.201 ( 1.564 -6.018 -3.225) 7.004 21.201 ( 1.564 6.018 -3.225) 7.004 22.145 ( -4.301 -6.091 3.745) 8.344 22.145 ( -4.301 6.091 3.745) 8.344 22.266 ( 7.024 -1.273 -3.725) 8.051 22.266 ( 7.024 1.273 -3.725) 8.051 23.146 ( 1.374 -3.688 3.461) 5.241 23.146 ( 1.374 3.688 3.461) 5.241 23.753 ( -2.757 -1.123 1.424) 3.300 23.753 ( -2.757 1.123 1.424) 3.300 24.249 ( -3.029 -2.609 8.575) 9.461 24.249 ( -3.029 2.609 8.575) 9.461 26.353 ( -2.458 -6.705 -1.332) 7.265 26.353 ( -2.458 6.705 -1.332) 7.265 27.484 ( 3.204 -3.524 1.703) 5.058 27.484 ( 3.204 3.524 1.703) 5.058 ======================= Grid point 163 (89/128) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -0.066 -7.585 -16.458) 18.121 1.532 ( -0.066 7.585 -16.458) 18.121 1.776 ( -5.663 -4.663 -14.445) 16.201 1.776 ( -5.662 4.663 -14.445) 16.200 2.488 ( -7.279 -6.380 2.129) 9.911 2.488 ( -7.279 6.380 2.129) 9.911 2.635 ( 7.321 -11.302 -0.753) 13.487 2.635 ( 7.321 11.302 -0.753) 13.487 2.955 ( -2.182 -3.584 1.458) 4.442 2.955 ( -2.182 3.584 1.458) 4.442 3.396 ( 2.523 -4.437 3.566) 6.226 3.396 ( 2.523 4.437 3.566) 6.226 3.758 ( -5.422 -3.677 -1.681) 6.764 3.758 ( -5.422 3.677 -1.681) 6.764 4.584 ( 1.969 -8.792 0.201) 9.012 4.584 ( 1.969 8.792 0.201) 9.012 4.731 ( 5.441 -1.933 -13.008) 14.232 4.731 ( 5.441 1.933 -13.008) 14.232 5.190 ( -16.047 -5.229 0.522) 16.885 5.190 ( -16.047 5.229 0.522) 16.885 5.513 ( -12.368 -6.627 -12.411) 18.733 5.513 ( -12.368 6.627 -12.411) 18.733 6.011 ( -2.766 -6.556 -0.195) 7.118 6.011 ( -2.766 6.556 -0.195) 7.118 6.426 ( -1.665 -2.047 2.793) 3.842 6.426 ( -1.665 2.047 2.793) 3.842 6.801 ( -7.116 -6.271 0.580) 9.502 6.801 ( -7.116 6.271 0.580) 9.502 6.882 ( 5.950 -9.189 2.107) 11.148 6.882 ( 5.950 9.189 2.107) 11.148 7.127 ( 0.299 -3.983 3.065) 5.035 7.127 ( 0.299 3.983 3.065) 5.035 7.374 ( -1.639 -10.551 -1.797) 10.828 7.374 ( -1.639 10.551 -1.797) 10.828 7.579 ( 3.516 -3.673 -3.188) 6.002 7.579 ( 3.516 3.673 -3.188) 6.002 7.959 ( 13.879 -5.192 -0.323) 14.822 7.959 ( 13.879 5.192 -0.323) 14.822 8.142 ( 0.995 -1.095 2.394) 2.814 8.142 ( 0.995 1.095 2.394) 2.814 8.525 ( -8.170 -3.837 -4.974) 10.306 8.525 ( -8.170 3.837 -4.974) 10.306 8.849 ( -1.624 -3.660 2.775) 4.872 8.849 ( -1.624 3.660 2.775) 4.872 9.254 ( -4.444 -6.076 -5.432) 9.283 9.254 ( -4.444 6.076 -5.432) 9.283 9.530 ( 6.297 -2.961 -13.677) 15.345 9.530 ( 6.297 2.961 -13.677) 15.345 9.755 ( -6.081 -3.222 1.399) 7.022 9.755 ( -6.081 3.222 1.399) 7.022 10.220 ( -0.547 -5.490 1.411) 5.695 10.220 ( -0.547 5.490 1.411) 5.695 10.765 ( 8.111 -5.713 -7.383) 12.366 10.765 ( 8.111 5.713 -7.383) 12.366 11.471 ( -0.635 -2.167 7.176) 7.523 11.471 ( -0.635 2.167 7.176) 7.523 12.469 ( 5.209 -2.831 6.350) 8.687 12.469 ( 5.209 2.831 6.350) 8.687 13.001 ( -1.639 -2.406 1.221) 3.157 13.001 ( -1.639 2.406 1.221) 3.157 13.076 ( 4.561 -7.127 3.179) 9.039 13.076 ( 4.561 7.127 3.179) 9.039 13.890 ( -4.524 -5.954 9.011) 11.709 13.890 ( -4.524 5.954 9.011) 11.709 14.274 ( 3.509 -7.565 7.580) 11.269 14.274 ( 3.509 7.565 7.580) 11.269 15.071 ( 2.552 -2.876 2.270) 4.465 15.071 ( 2.552 2.876 2.270) 4.465 15.307 ( 6.009 -5.739 7.424) 11.143 15.307 ( 6.009 5.739 7.424) 11.143 15.719 ( -3.815 -7.710 -8.396) 12.021 15.719 ( -3.815 7.710 -8.396) 12.021 16.305 ( 1.707 -5.270 0.672) 5.580 16.305 ( 1.707 5.270 0.672) 5.580 17.214 ( -12.906 -2.612 -22.797) 26.327 17.214 ( -12.906 2.612 -22.797) 26.327 17.492 ( -12.690 -7.665 -32.927) 36.110 17.492 ( -12.690 7.665 -32.927) 36.110 21.048 ( 0.812 -6.906 2.070) 7.255 21.048 ( 0.812 6.906 2.070) 7.255 21.213 ( 4.779 -6.236 -2.631) 8.286 21.214 ( 4.779 6.236 -2.631) 8.286 22.084 ( -5.467 -4.427 2.384) 7.428 22.084 ( -5.467 4.427 2.384) 7.428 22.344 ( 5.628 -2.548 -3.619) 7.160 22.344 ( 5.628 2.548 -3.619) 7.160 23.176 ( -1.740 -1.891 3.030) 3.972 23.176 ( -1.740 1.891 3.030) 3.972 23.750 ( 0.923 -1.836 0.387) 2.091 23.750 ( 0.923 1.836 0.387) 2.091 24.298 ( -0.249 -6.041 8.742) 10.629 24.298 ( -0.249 6.041 8.742) 10.629 26.329 ( 0.581 -8.610 -0.230) 8.633 26.329 ( 0.581 8.610 -0.230) 8.633 27.539 ( 2.247 -3.471 0.413) 4.156 27.539 ( 2.247 3.471 0.413) 4.156 ======================= Grid point 165 (90/128) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -8.945 -8.464 -20.777) 24.152 1.143 ( -8.945 8.464 -20.777) 24.152 1.851 ( 11.263 -11.141 -0.754) 15.860 1.851 ( 11.263 11.141 -0.754) 15.860 2.400 ( -10.850 -12.139 7.984) 18.134 2.400 ( -10.850 12.139 7.984) 18.134 2.705 ( -1.314 -9.698 1.666) 9.927 2.705 ( -1.314 9.698 1.666) 9.927 2.964 ( 6.246 -4.239 -2.444) 7.934 2.964 ( 6.246 4.239 -2.444) 7.934 3.456 ( 1.460 -0.785 -1.098) 1.988 3.456 ( 1.460 0.785 -1.098) 1.988 3.651 ( -5.014 -7.413 0.636) 8.972 3.651 ( -5.014 7.413 0.636) 8.972 4.558 ( -3.666 -8.865 1.705) 9.743 4.558 ( -3.666 8.865 1.705) 9.743 4.775 ( 9.050 -4.236 -10.928) 14.807 4.775 ( 9.050 4.236 -10.928) 14.807 5.007 ( -4.656 -4.569 3.785) 7.541 5.007 ( -4.656 4.569 3.785) 7.541 5.218 ( -11.213 -5.241 -2.728) 12.675 5.218 ( -11.213 5.241 -2.728) 12.675 5.965 ( -3.700 -4.141 0.417) 5.569 5.965 ( -3.700 4.141 0.417) 5.569 6.363 ( -10.155 -3.587 2.413) 11.037 6.363 ( -10.155 3.587 2.413) 11.037 6.652 ( -11.362 -7.841 -0.899) 13.834 6.652 ( -11.362 7.841 -0.899) 13.834 6.912 ( 2.088 -5.214 -2.211) 6.036 6.912 ( 2.088 5.214 -2.211) 6.036 7.248 ( 6.610 -4.371 6.546) 10.279 7.248 ( 6.610 4.371 6.546) 10.279 7.305 ( -4.347 -14.104 0.474) 14.766 7.305 ( -4.347 14.104 0.474) 14.766 7.636 ( 5.720 -1.797 -2.467) 6.484 7.636 ( 5.720 1.797 -2.467) 6.484 8.027 ( -3.691 -1.421 -2.346) 4.599 8.027 ( -3.691 1.421 -2.346) 4.599 8.234 ( 6.278 -2.736 2.370) 7.246 8.234 ( 6.278 2.736 2.370) 7.246 8.496 ( 5.901 -5.460 -0.469) 8.053 8.496 ( 5.901 5.460 -0.469) 8.053 8.859 ( -0.030 -1.588 2.156) 2.678 8.859 ( -0.030 1.588 2.156) 2.678 9.188 ( -1.321 -4.046 1.009) 4.374 9.188 ( -1.321 4.046 1.009) 4.374 9.425 ( 0.499 -3.263 -14.011) 14.395 9.425 ( 0.499 3.263 -14.011) 14.395 9.795 ( 5.385 -5.364 2.392) 7.968 9.795 ( 5.385 5.364 2.392) 7.968 10.205 ( -2.073 -4.380 1.409) 5.046 10.205 ( -2.073 4.380 1.409) 5.046 10.823 ( 6.867 -8.025 -7.688) 13.064 10.823 ( 6.867 8.025 -7.688) 13.064 11.488 ( -3.773 -3.467 4.535) 6.842 11.488 ( -3.773 3.467 4.535) 6.842 12.685 ( 13.350 -2.783 4.847) 14.473 12.685 ( 13.350 2.783 4.847) 14.473 12.980 ( -1.588 -1.820 0.241) 2.427 12.980 ( -1.588 1.820 0.241) 2.427 13.134 ( 2.295 -6.824 -3.625) 8.061 13.134 ( 2.295 6.824 -3.625) 8.061 13.887 ( -4.748 -2.381 8.351) 9.897 13.887 ( -4.748 2.381 8.351) 9.897 14.393 ( 1.319 -8.704 8.237) 12.056 14.393 ( 1.319 8.704 8.237) 12.056 15.134 ( 4.315 -4.352 0.896) 6.193 15.134 ( 4.315 4.352 0.896) 6.193 15.435 ( 1.373 -4.426 -6.936) 8.342 15.435 ( 1.373 4.426 -6.936) 8.342 15.648 ( 0.696 -6.489 4.691) 8.037 15.648 ( 0.696 6.489 4.691) 8.037 16.235 ( -4.333 -0.861 -7.463) 8.673 16.235 ( -4.333 0.861 -7.463) 8.673 16.761 ( -9.433 -3.427 -12.457) 15.997 16.761 ( -9.433 3.427 -12.457) 15.997 17.205 ( -8.692 -3.934 -6.044) 11.294 17.205 ( -8.692 3.934 -6.044) 11.294 21.001 ( -4.763 -3.977 -2.336) 6.630 21.001 ( -4.763 3.977 -2.336) 6.630 21.310 ( 7.291 -5.899 -1.327) 9.472 21.310 ( 7.291 5.899 -1.327) 9.472 22.011 ( -5.379 -2.078 1.705) 6.014 22.011 ( -5.379 2.078 1.705) 6.014 22.393 ( 3.967 -2.863 -2.959) 5.718 22.393 ( 3.967 2.863 -2.959) 5.718 23.139 ( -4.878 -1.973 1.379) 5.440 23.139 ( -4.878 1.973 1.379) 5.440 23.778 ( 2.165 -1.960 -0.249) 2.931 23.778 ( 2.165 1.960 -0.249) 2.931 24.397 ( 3.396 -10.471 6.212) 12.640 24.397 ( 3.396 10.471 6.212) 12.640 26.370 ( 4.071 -9.730 0.419) 10.555 26.370 ( 4.071 9.730 0.419) 10.555 27.566 ( 0.783 -3.206 -0.471) 3.334 27.566 ( 0.783 3.206 -0.471) 3.334 ======================= Grid point 167 (91/128) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 7.314 -10.985 19.122) 23.234 1.122 ( 7.314 10.985 19.122) 23.234 2.002 ( 2.738 -10.660 3.138) 11.445 2.002 ( 2.738 10.660 3.138) 11.445 2.227 ( -12.818 -13.470 1.546) 18.659 2.227 ( -12.818 13.470 1.546) 18.659 2.689 ( -0.526 -12.840 2.370) 13.067 2.689 ( -0.526 12.840 2.370) 13.067 3.078 ( 6.635 -4.110 -0.112) 7.805 3.078 ( 6.635 4.110 -0.112) 7.805 3.475 ( 2.517 -4.452 3.471) 6.181 3.475 ( 2.517 4.452 3.471) 6.181 3.629 ( 0.827 -11.309 1.119) 11.394 3.629 ( 0.827 11.309 1.119) 11.394 4.534 ( -3.896 -8.697 3.898) 10.296 4.534 ( -3.896 8.697 3.898) 10.296 4.784 ( 0.063 -6.792 4.520) 8.159 4.784 ( 0.063 6.792 4.520) 8.159 5.033 ( -0.688 -5.039 -0.014) 5.086 5.033 ( -0.688 5.039 -0.014) 5.086 5.226 ( 11.905 -1.553 6.730) 13.763 5.226 ( 11.905 1.553 6.730) 13.763 5.883 ( -6.180 -7.462 0.591) 9.706 5.883 ( -6.180 7.462 0.591) 9.706 6.130 ( -15.947 -5.220 0.120) 16.780 6.130 ( -15.947 5.220 0.120) 16.780 6.476 ( -8.716 -10.695 1.047) 13.836 6.476 ( -8.716 10.695 1.047) 13.836 6.931 ( 2.111 -10.396 -4.377) 11.476 6.931 ( 2.111 10.396 -4.377) 11.476 7.214 ( -7.583 -4.909 5.211) 10.429 7.214 ( -7.583 4.909 5.211) 10.429 7.447 ( 8.085 -1.229 4.505) 9.337 7.447 ( 8.085 1.229 4.505) 9.337 7.730 ( 5.598 -6.474 0.839) 8.600 7.730 ( 5.598 6.474 0.839) 8.600 7.921 ( -4.679 -5.398 -1.747) 7.354 7.921 ( -4.679 5.398 -1.747) 7.354 8.326 ( 2.187 -2.464 2.161) 3.940 8.326 ( 2.187 2.464 2.161) 3.940 8.560 ( 0.550 -6.544 -1.821) 6.815 8.560 ( 0.550 6.544 -1.821) 6.815 8.895 ( 5.443 -0.347 -3.723) 6.603 8.895 ( 5.443 0.347 -3.723) 6.603 9.223 ( 0.849 -3.907 5.531) 6.824 9.223 ( 0.849 3.907 5.531) 6.824 9.378 ( 5.099 -4.321 -4.624) 8.127 9.378 ( 5.099 4.321 -4.624) 8.127 9.906 ( 4.781 -4.773 1.023) 6.833 9.906 ( 4.781 4.773 1.023) 6.833 10.201 ( 1.560 -3.001 0.355) 3.400 10.201 ( 1.560 3.001 0.355) 3.400 10.869 ( 5.680 -8.901 -4.837) 11.615 10.869 ( 5.680 8.901 -4.837) 11.615 11.430 ( -6.424 -4.421 1.816) 8.007 11.430 ( -6.424 4.421 1.816) 8.007 12.908 ( 1.798 -3.810 -2.477) 4.887 12.908 ( 1.798 3.810 -2.477) 4.887 12.951 ( 2.540 -5.909 1.229) 6.548 12.951 ( 2.540 5.909 1.229) 6.548 13.135 ( 7.498 -1.828 -7.901) 11.045 13.135 ( 7.498 1.828 -7.901) 11.045 13.895 ( -2.135 -7.307 6.118) 9.766 13.895 ( -2.135 7.307 6.118) 9.766 14.453 ( -0.003 -6.010 2.385) 6.466 14.453 ( -0.003 6.010 2.385) 6.466 15.107 ( -9.112 -3.032 -18.150) 20.534 15.107 ( -9.112 3.032 -18.150) 20.534 15.326 ( 2.065 -6.648 -0.881) 7.017 15.326 ( 2.065 6.648 -0.881) 7.017 15.728 ( 5.406 -5.425 4.586) 8.926 15.728 ( 5.406 5.425 4.586) 8.926 16.149 ( -5.332 -4.267 -3.754) 7.793 16.149 ( -5.332 4.267 -3.754) 7.793 16.748 ( 2.669 -6.547 18.547) 19.849 16.748 ( 2.669 6.547 18.547) 19.849 17.095 ( -1.118 -0.600 11.645) 11.714 17.095 ( -1.118 0.600 11.645) 11.714 20.874 ( -6.669 -2.422 -3.238) 7.799 20.874 ( -6.669 2.422 -3.238) 7.799 21.411 ( 6.532 -6.171 -2.602) 9.355 21.411 ( 6.532 6.171 -2.602) 9.355 21.933 ( -5.186 -0.306 0.700) 5.242 21.933 ( -5.186 0.306 0.700) 5.242 22.428 ( 2.748 -2.459 -1.752) 4.083 22.428 ( 2.748 2.459 -1.752) 4.083 23.052 ( -5.401 -3.144 -0.275) 6.256 23.052 ( -5.401 3.144 -0.275) 6.256 23.821 ( 2.749 -0.972 1.003) 3.084 23.821 ( 2.749 0.972 1.003) 3.084 24.499 ( 3.997 -13.723 1.036) 14.331 24.499 ( 3.997 13.723 1.036) 14.331 26.466 ( 6.857 -9.561 -0.194) 11.767 26.466 ( 6.857 9.561 -0.194) 11.767 27.545 ( -2.774 -2.859 -1.449) 4.239 27.545 ( -2.774 2.859 -1.449) 4.239 ======================= Grid point 169 (92/128) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 9.623 -11.449 23.449) 27.812 1.529 ( 9.623 11.449 23.449) 27.812 1.900 ( -17.253 -4.419 13.648) 22.438 1.900 ( -17.253 4.419 13.648) 22.438 2.189 ( 5.382 -10.778 2.152) 12.238 2.189 ( 5.382 10.778 2.152) 12.238 2.753 ( 3.441 -16.880 5.773) 18.169 2.753 ( 3.441 16.880 5.773) 18.169 3.170 ( 1.463 -0.726 5.583) 5.817 3.170 ( 1.463 0.726 5.583) 5.817 3.521 ( -4.354 -11.590 6.293) 13.888 3.521 ( -4.354 11.590 6.293) 13.888 3.752 ( 13.505 -4.171 -2.291) 14.319 3.752 ( 13.505 4.171 -2.291) 14.319 4.467 ( -3.995 -5.237 -0.972) 6.658 4.467 ( -3.995 5.237 -0.972) 6.658 4.873 ( -0.287 -1.550 6.750) 6.932 4.873 ( -0.287 1.550 6.750) 6.932 5.086 ( 5.182 -4.988 7.520) 10.406 5.086 ( 5.182 4.988 7.520) 10.406 5.517 ( 8.582 -2.770 8.143) 12.150 5.517 ( 8.582 2.770 8.143) 12.150 5.810 ( -0.421 -12.117 -1.263) 12.190 5.810 ( -0.421 12.117 -1.263) 12.190 5.950 ( -3.255 -1.084 3.403) 4.833 5.950 ( -3.255 1.084 3.403) 4.833 6.366 ( -4.895 -10.132 -0.038) 11.252 6.366 ( -4.895 10.132 -0.038) 11.252 6.884 ( -2.913 -8.534 -3.576) 9.700 6.884 ( -2.913 8.534 -3.576) 9.700 7.133 ( -7.700 -0.794 4.155) 8.786 7.133 ( -7.700 0.794 4.155) 8.786 7.570 ( 1.833 -5.187 2.435) 6.016 7.570 ( 1.833 5.187 2.435) 6.016 7.720 ( -7.722 -3.633 2.071) 8.782 7.720 ( -7.722 3.633 2.071) 8.782 7.955 ( 6.225 -6.230 4.369) 9.831 7.955 ( 6.225 6.230 4.369) 9.831 8.367 ( 1.795 -3.924 -0.578) 4.354 8.367 ( 1.795 3.924 -0.578) 4.354 8.501 ( -3.358 -8.510 -2.325) 9.439 8.501 ( -3.358 8.510 -2.325) 9.439 8.965 ( 6.737 -3.078 -3.566) 8.221 8.965 ( 6.737 3.078 -3.566) 8.221 9.282 ( 1.612 -7.827 3.577) 8.755 9.282 ( 1.612 7.827 3.577) 8.755 9.492 ( 5.514 -6.618 4.833) 9.877 9.492 ( 5.514 6.618 4.833) 9.877 9.972 ( 4.585 -4.427 -0.842) 6.429 9.972 ( 4.585 4.427 -0.842) 6.429 10.283 ( 7.578 -0.102 -0.070) 7.579 10.283 ( 7.578 0.102 -0.070) 7.579 10.912 ( 1.230 -7.946 -0.944) 8.096 10.912 ( 1.230 7.946 -0.944) 8.096 11.324 ( -5.767 -5.168 -0.380) 7.753 11.324 ( -5.767 5.168 -0.380) 7.753 12.755 ( -7.885 -4.798 -8.374) 12.463 12.755 ( -7.885 4.798 -8.374) 12.463 13.025 ( 1.677 -6.826 2.249) 7.380 13.025 ( 1.677 6.826 2.249) 7.380 13.224 ( 8.572 -7.923 -9.197) 14.861 13.224 ( 8.572 7.923 -9.197) 14.861 13.909 ( -1.648 -15.937 1.740) 16.116 13.909 ( -1.648 15.937 1.740) 16.116 14.453 ( 1.018 -3.770 -3.367) 5.156 14.453 ( 1.018 3.770 -3.367) 5.156 14.717 ( -12.759 -2.028 -15.416) 20.114 14.717 ( -12.759 2.028 -15.416) 20.114 15.298 ( -4.298 -9.050 -4.560) 11.008 15.298 ( -4.298 9.050 -4.560) 11.008 15.909 ( -7.046 -5.771 -7.255) 11.644 15.909 ( -7.046 5.771 -7.255) 11.644 16.038 ( 14.638 -7.961 8.734) 18.813 16.038 ( 14.638 7.961 8.734) 18.813 16.823 ( -6.304 -4.056 8.632) 11.433 16.823 ( -6.304 4.056 8.632) 11.433 17.683 ( 27.671 -9.850 53.679) 61.190 17.683 ( 27.671 9.850 53.679) 61.190 20.738 ( -5.302 -4.770 -3.561) 7.972 20.738 ( -5.302 4.770 -3.561) 7.972 21.476 ( 4.410 -5.625 -3.691) 8.044 21.476 ( 4.410 5.625 -3.691) 8.044 21.844 ( -5.143 -1.228 -1.450) 5.483 21.844 ( -5.143 1.228 -1.450) 5.483 22.449 ( 0.714 -1.509 -0.512) 1.746 22.449 ( 0.714 1.509 -0.512) 1.746 22.975 ( -2.353 -2.991 -1.378) 4.048 22.975 ( -2.353 2.991 -1.378) 4.048 23.889 ( 2.941 -0.714 3.062) 4.305 23.889 ( 2.941 0.714 3.062) 4.305 24.531 ( 1.050 -14.259 -4.130) 14.883 24.531 ( 1.050 14.259 -4.130) 14.883 26.585 ( 7.605 -8.649 -0.973) 11.558 26.585 ( 7.605 8.649 -0.973) 11.558 27.436 ( -7.681 -1.916 -2.763) 8.385 27.436 ( -7.681 1.916 -2.763) 8.385 ======================= Grid point 189 (93/128) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -12.437 0.000 18.413) 22.220 1.861 ( 5.711 0.000 3.911) 6.922 2.059 ( -11.768 0.000 1.390) 11.850 2.068 ( 14.060 0.000 0.673) 14.076 2.382 ( -8.696 0.000 2.160) 8.960 2.470 ( 5.727 0.000 -4.185) 7.093 2.846 ( -2.327 0.000 -1.796) 2.940 2.865 ( -2.555 0.000 1.068) 2.769 3.231 ( -10.364 0.000 10.735) 14.921 3.484 ( 7.226 0.000 -3.375) 7.975 3.608 ( -0.078 0.000 27.126) 27.126 3.820 ( 13.523 0.000 5.410) 14.565 3.827 ( -1.323 0.000 2.116) 2.496 4.010 ( 9.478 0.000 20.644) 22.716 4.286 ( 7.450 0.000 -19.320) 20.707 4.455 ( -12.026 0.000 -17.065) 20.877 5.098 ( 4.760 0.000 3.827) 6.108 5.153 ( -1.743 0.000 2.136) 2.757 5.290 ( 2.369 0.000 -1.143) 2.630 5.323 ( -7.136 0.000 -1.459) 7.284 5.613 ( -10.992 0.000 8.961) 14.182 5.793 ( 15.109 0.000 -5.775) 16.175 6.025 ( -19.597 0.000 4.802) 20.176 6.148 ( 18.052 0.000 -2.826) 18.272 6.296 ( 16.343 0.000 1.561) 16.418 6.380 ( -13.456 0.000 -6.552) 14.967 6.442 ( 7.242 0.000 5.389) 9.027 6.601 ( 0.600 0.000 -6.763) 6.790 6.739 ( -4.656 0.000 3.154) 5.624 6.770 ( 3.876 0.000 2.039) 4.380 6.922 ( -2.930 0.000 -2.209) 3.670 6.980 ( 4.755 0.000 -7.712) 9.060 7.347 ( -3.722 0.000 5.197) 6.392 7.418 ( -1.769 0.000 -0.772) 1.930 7.713 ( -7.302 0.000 1.188) 7.398 7.802 ( 9.293 0.000 -3.331) 9.872 7.828 ( 9.394 0.000 -3.463) 10.012 7.836 ( -12.620 0.000 -2.098) 12.793 8.154 ( -3.735 0.000 7.583) 8.453 8.227 ( 3.822 0.000 2.276) 4.448 8.577 ( 7.945 0.000 2.699) 8.391 8.611 ( -8.777 0.000 -0.819) 8.816 8.917 ( -15.398 0.000 7.846) 17.282 9.131 ( 13.360 0.000 -8.110) 15.629 9.449 ( 3.445 0.000 6.416) 7.282 9.525 ( 13.915 0.000 2.685) 14.172 9.876 ( 6.841 0.000 6.566) 9.482 9.910 ( -3.695 0.000 1.071) 3.847 9.973 ( -8.934 0.000 -0.969) 8.986 10.095 ( -4.522 0.000 -15.089) 15.752 10.316 ( 12.536 0.000 -2.991) 12.887 10.329 ( -11.702 0.000 -2.737) 12.018 10.943 ( 3.119 0.000 9.938) 10.416 11.013 ( -2.071 0.000 6.442) 6.767 11.336 ( -4.338 0.000 0.468) 4.363 11.379 ( -2.781 0.000 -0.844) 2.906 12.004 ( 3.254 0.000 9.217) 9.775 12.238 ( -3.129 0.000 -12.455) 12.842 12.640 ( 0.524 0.000 6.895) 6.915 12.800 ( -2.479 0.000 -7.539) 7.936 13.128 ( 6.314 0.000 11.301) 12.945 13.465 ( -6.775 0.000 -19.467) 20.612 13.978 ( 13.815 0.000 9.622) 16.836 13.993 ( -9.412 0.000 5.186) 10.747 14.298 ( 9.424 0.000 -12.335) 15.523 14.332 ( -10.835 0.000 -12.285) 16.381 14.544 ( -14.930 0.000 11.245) 18.691 14.800 ( 9.907 0.000 -10.512) 14.445 14.956 ( 3.977 0.000 -1.110) 4.129 14.962 ( -4.708 0.000 -1.166) 4.850 15.579 ( -11.901 0.000 2.134) 12.091 15.654 ( 6.131 0.000 -4.647) 7.693 16.282 ( 18.370 0.000 4.922) 19.018 16.331 ( -14.758 0.000 0.661) 14.772 16.811 ( -6.536 0.000 1.525) 6.712 16.821 ( 10.063 0.000 1.426) 10.164 19.517 ( 21.644 0.000 45.895) 50.743 20.260 ( -12.244 0.000 -23.943) 26.892 20.562 ( 32.615 0.000 9.967) 34.104 20.790 ( -12.865 0.000 -10.678) 16.720 21.122 ( -0.793 0.000 5.516) 5.573 21.256 ( -3.081 0.000 -6.649) 7.328 21.703 ( -6.342 0.000 8.472) 10.583 21.897 ( 6.159 0.000 -9.797) 11.572 22.249 ( -11.254 0.000 11.363) 15.993 22.502 ( 10.338 0.000 -11.480) 15.449 22.768 ( -2.687 0.000 5.414) 6.044 22.867 ( 2.557 0.000 -3.750) 4.539 23.891 ( -3.131 0.000 1.314) 3.395 23.937 ( 4.501 0.000 -2.720) 5.259 24.275 ( 2.851 0.000 11.829) 12.168 24.559 ( -6.597 0.000 -14.824) 16.225 26.735 ( -4.646 0.000 12.958) 13.766 26.927 ( 4.815 0.000 -4.827) 6.818 27.234 ( -8.169 0.000 -2.197) 8.459 27.251 ( 4.398 0.000 -4.898) 6.582 ======================= Grid point 190 (94/128) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -10.555 0.000 7.833) 13.144 1.790 ( -9.362 0.000 7.545) 12.024 2.105 ( 11.615 0.000 -6.794) 13.456 2.209 ( -1.061 0.000 0.729) 1.287 2.423 ( 7.767 0.000 9.981) 12.647 2.552 ( 6.311 0.000 -2.446) 6.769 2.752 ( -7.047 0.000 2.085) 7.349 2.821 ( -2.156 0.000 0.867) 2.324 3.139 ( -9.400 0.000 6.483) 11.418 3.566 ( 7.545 0.000 -7.027) 10.310 3.643 ( -12.909 0.000 -3.425) 13.355 3.734 ( -2.223 0.000 3.075) 3.794 4.079 ( -10.626 0.000 -18.164) 21.044 4.139 ( 11.869 0.000 12.718) 17.396 4.199 ( 8.096 0.000 -29.418) 30.512 4.438 ( 10.694 0.000 18.943) 21.753 5.126 ( 3.201 0.000 -3.639) 4.846 5.176 ( -9.015 0.000 -0.141) 9.016 5.266 ( 9.314 0.000 4.309) 10.262 5.422 ( 7.475 0.000 4.262) 8.605 5.497 ( -7.313 0.000 2.930) 7.878 5.740 ( -16.491 0.000 4.446) 17.079 5.931 ( 9.354 0.000 -8.622) 12.721 6.172 ( -0.955 0.000 -6.363) 6.435 6.303 ( -1.268 0.000 0.180) 1.280 6.470 ( 11.014 0.000 -1.046) 11.064 6.534 ( 0.441 0.000 -7.801) 7.813 6.605 ( -8.361 0.000 -2.770) 8.808 6.799 ( 14.342 0.000 2.468) 14.553 6.853 ( 1.507 0.000 -2.846) 3.221 6.951 ( 14.165 0.000 1.644) 14.260 6.980 ( 2.565 0.000 -4.151) 4.879 7.343 ( -9.777 0.000 1.221) 9.853 7.346 ( -3.300 0.000 7.271) 7.985 7.615 ( -6.540 0.000 3.014) 7.201 7.656 ( -4.341 0.000 -0.556) 4.377 7.856 ( 2.352 0.000 -2.193) 3.216 7.968 ( 4.377 0.000 1.826) 4.742 8.131 ( -5.078 0.000 2.829) 5.813 8.223 ( -3.240 0.000 -3.187) 4.545 8.519 ( 0.358 0.000 -1.384) 1.429 8.743 ( 7.114 0.000 2.830) 7.656 8.753 ( -9.125 0.000 4.753) 10.289 9.129 ( -9.966 0.000 0.143) 9.967 9.516 ( 11.618 0.000 -15.483) 19.357 9.640 ( 3.657 0.000 -12.104) 12.644 9.769 ( -14.825 0.000 3.701) 15.280 9.890 ( -9.373 0.000 0.429) 9.383 9.944 ( -1.551 0.000 -2.276) 2.754 10.066 ( 6.443 0.000 4.033) 7.601 10.129 ( -2.732 0.000 5.916) 6.516 10.374 ( -3.892 0.000 -3.385) 5.158 11.025 ( 3.199 0.000 -0.075) 3.200 11.087 ( 2.412 0.000 1.826) 3.025 11.339 ( -0.245 0.000 7.957) 7.960 11.378 ( 2.263 0.000 3.613) 4.263 12.082 ( -2.432 0.000 -11.311) 11.569 12.153 ( 3.479 0.000 11.055) 11.589 12.684 ( -2.919 0.000 -5.149) 5.919 12.694 ( -3.195 0.000 8.293) 8.888 13.193 ( -5.367 0.000 -16.496) 17.348 13.381 ( 8.372 0.000 16.232) 18.264 13.785 ( -17.880 0.000 -6.068) 18.881 14.021 ( -10.140 0.000 4.352) 11.035 14.196 ( 6.105 0.000 1.789) 6.361 14.397 ( 8.752 0.000 -2.844) 9.202 14.571 ( -1.004 0.000 11.189) 11.234 14.894 ( -3.110 0.000 0.456) 3.144 14.934 ( 9.846 0.000 -4.079) 10.657 15.095 ( 18.059 0.000 -2.150) 18.187 15.465 ( -7.176 0.000 7.591) 10.446 15.758 ( 8.063 0.000 0.257) 8.068 16.064 ( -13.456 0.000 -3.981) 14.032 16.603 ( 16.416 0.000 -0.195) 16.417 16.705 ( -6.129 0.000 -1.527) 6.316 16.975 ( 9.216 0.000 -3.212) 9.760 19.699 ( -18.748 0.000 -40.717) 44.826 20.167 ( 7.704 0.000 18.992) 20.495 20.226 ( -25.198 0.000 -17.190) 30.503 20.824 ( -0.476 0.000 3.677) 3.708 21.236 ( 4.298 0.000 -3.599) 5.606 21.363 ( 17.782 0.000 2.468) 17.952 21.664 ( -7.999 0.000 9.215) 12.202 21.907 ( 5.424 0.000 -9.225) 10.702 22.196 ( -6.932 0.000 11.788) 13.676 22.577 ( 9.901 0.000 -10.062) 14.116 22.767 ( -3.082 0.000 5.061) 5.926 22.873 ( 2.504 0.000 -4.642) 5.274 23.852 ( -2.787 0.000 1.170) 3.023 23.990 ( 5.070 0.000 -3.436) 6.125 24.307 ( -9.111 0.000 -9.334) 13.044 24.422 ( -0.526 0.000 14.886) 14.896 26.752 ( -6.360 0.000 8.374) 10.516 26.922 ( 2.235 0.000 -8.700) 8.982 27.116 ( -4.954 0.000 3.517) 6.075 27.333 ( 6.128 0.000 1.961) 6.434 ======================= Grid point 191 (95/128) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -3.554 0.000 -0.036) 3.554 1.839 ( 7.541 0.000 6.161) 9.738 2.198 ( 8.308 0.000 -10.972) 13.763 2.206 ( -0.980 0.000 5.004) 5.099 2.555 ( -6.054 0.000 2.746) 6.647 2.608 ( -2.760 0.000 15.309) 15.556 2.754 ( 6.783 0.000 -0.361) 6.793 2.776 ( 2.912 0.000 -19.668) 19.882 3.050 ( -6.933 0.000 7.373) 10.121 3.411 ( -8.073 0.000 -4.877) 9.432 3.439 ( -13.947 0.000 -23.624) 27.434 3.624 ( 4.490 0.000 -8.667) 9.761 3.941 ( 0.421 0.000 0.446) 0.614 3.971 ( -2.325 0.000 -24.300) 24.411 4.401 ( 7.274 0.000 8.428) 11.133 4.705 ( 3.686 0.000 12.230) 12.773 5.061 ( -6.910 0.000 4.010) 7.989 5.223 ( 10.951 0.000 -2.785) 11.299 5.347 ( -6.961 0.000 3.622) 7.847 5.445 ( 3.089 0.000 -7.138) 7.778 5.554 ( 3.933 0.000 0.686) 3.993 5.693 ( 8.155 0.000 4.693) 9.409 5.949 ( 0.457 0.000 -5.790) 5.808 6.198 ( -0.936 0.000 -10.068) 10.112 6.232 ( 13.789 0.000 -7.756) 15.821 6.426 ( -10.271 0.000 0.131) 10.271 6.493 ( 3.032 0.000 -7.065) 7.688 6.641 ( 6.409 0.000 0.235) 6.413 6.764 ( -1.133 0.000 -7.856) 7.937 6.901 ( -0.910 0.000 5.420) 5.496 7.015 ( -0.460 0.000 3.785) 3.813 7.102 ( -13.211 0.000 0.959) 13.246 7.305 ( -11.944 0.000 9.321) 15.151 7.369 ( 18.896 0.000 0.676) 18.908 7.570 ( -3.336 0.000 5.431) 6.374 7.660 ( 6.553 0.000 -4.598) 8.005 7.825 ( -9.737 0.000 4.269) 10.632 7.967 ( -3.235 0.000 -0.783) 3.328 8.012 ( -5.004 0.000 -8.720) 10.054 8.175 ( 6.888 0.000 -6.358) 9.374 8.573 ( 5.070 0.000 -1.515) 5.292 8.726 ( -14.748 0.000 4.411) 15.394 8.730 ( 3.487 0.000 0.617) 3.541 9.041 ( 3.466 0.000 3.554) 4.964 9.501 ( -1.966 0.000 -18.557) 18.661 9.506 ( -12.229 0.000 -3.464) 12.710 9.576 ( -0.004 0.000 -9.233) 9.233 9.634 ( -9.008 0.000 -4.978) 10.292 9.884 ( -7.704 0.000 0.705) 7.737 10.045 ( -10.864 0.000 -7.811) 13.380 10.292 ( 4.388 0.000 -0.116) 4.389 10.304 ( 5.963 0.000 13.459) 14.721 11.039 ( -3.961 0.000 -4.321) 5.862 11.128 ( 3.557 0.000 6.123) 7.081 11.443 ( 1.711 0.000 10.409) 10.549 11.494 ( 4.936 0.000 4.235) 6.503 11.956 ( -0.646 0.000 -9.735) 9.757 12.318 ( 2.814 0.000 12.625) 12.935 12.643 ( 1.946 0.000 -1.738) 2.609 12.667 ( -8.573 0.000 7.124) 11.147 12.994 ( -3.458 0.000 -9.993) 10.574 13.404 ( -13.815 0.000 -6.773) 15.386 13.723 ( 8.007 0.000 19.813) 21.369 13.995 ( -4.453 0.000 13.688) 14.394 14.272 ( 4.941 0.000 -4.248) 6.515 14.495 ( 6.598 0.000 -4.255) 7.851 14.615 ( -4.255 0.000 4.484) 6.182 14.909 ( 2.018 0.000 8.019) 8.269 15.024 ( 4.520 0.000 0.006) 4.520 15.461 ( -3.338 0.000 10.043) 10.583 15.473 ( 22.685 0.000 1.258) 22.719 15.713 ( -8.912 0.000 -8.660) 12.427 16.051 ( 10.392 0.000 8.050) 13.145 16.576 ( -5.550 0.000 -4.693) 7.268 16.810 ( 11.358 0.000 -6.871) 13.274 17.080 ( 7.926 0.000 -4.711) 9.221 18.902 ( -23.089 0.000 -54.485) 59.176 19.229 ( -41.699 0.000 -45.595) 61.787 20.596 ( 9.846 0.000 15.901) 18.702 20.830 ( -2.051 0.000 4.582) 5.020 21.287 ( 3.754 0.000 -1.073) 3.904 21.606 ( 11.861 0.000 -4.210) 12.586 21.614 ( -7.858 0.000 10.459) 13.082 21.909 ( 4.431 0.000 -8.789) 9.843 22.236 ( -1.365 0.000 11.586) 11.666 22.649 ( 8.520 0.000 -8.154) 11.793 22.758 ( -3.590 0.000 5.332) 6.428 22.861 ( 1.837 0.000 -6.090) 6.361 23.818 ( -2.550 0.000 0.922) 2.711 24.001 ( -1.173 0.000 -7.463) 7.555 24.153 ( -0.273 0.000 0.126) 0.301 24.513 ( -5.203 0.000 15.164) 16.032 26.669 ( -9.221 0.000 4.692) 10.346 26.863 ( 0.964 0.000 -9.245) 9.295 27.139 ( -0.275 0.000 8.734) 8.739 27.457 ( 4.754 0.000 3.279) 5.775 ======================= Grid point 192 (96/128) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 9.635 0.000 0.659) 9.658 2.043 ( 6.229 0.000 -6.926) 9.315 2.192 ( 2.575 0.000 -2.206) 3.390 2.192 ( -6.601 0.000 -21.442) 22.435 2.400 ( -6.064 0.000 -9.216) 11.032 2.479 ( 4.272 0.000 -13.063) 13.744 2.735 ( -2.828 0.000 10.301) 10.682 2.890 ( 7.050 0.000 2.438) 7.460 2.996 ( -11.301 0.000 -17.205) 20.585 3.041 ( -6.556 0.000 6.904) 9.521 3.349 ( 5.447 0.000 -1.364) 5.615 3.603 ( -0.433 0.000 -4.640) 4.660 3.775 ( -4.001 0.000 -6.566) 7.689 3.939 ( -1.870 0.000 -1.774) 2.578 4.552 ( 5.059 0.000 3.959) 6.424 4.804 ( -1.128 0.000 5.827) 5.935 4.977 ( -5.089 0.000 -0.521) 5.115 5.220 ( -4.184 0.000 -6.651) 7.858 5.340 ( 1.309 0.000 -4.362) 4.554 5.501 ( 9.059 0.000 -2.936) 9.523 5.534 ( -2.604 0.000 -6.869) 7.346 5.902 ( 2.802 0.000 -0.104) 2.804 5.909 ( 9.386 0.000 4.391) 10.363 6.188 ( 4.253 0.000 -9.098) 10.042 6.235 ( -6.684 0.000 -5.553) 8.690 6.338 ( 6.634 0.000 -13.210) 14.782 6.511 ( 5.593 0.000 -4.495) 7.176 6.666 ( -4.055 0.000 3.353) 5.262 6.798 ( -12.980 0.000 0.036) 12.980 6.861 ( 17.172 0.000 -0.773) 17.189 6.954 ( -6.422 0.000 2.117) 6.762 6.984 ( -9.426 0.000 6.140) 11.250 7.142 ( -15.129 0.000 12.444) 19.590 7.454 ( 0.159 0.000 -10.214) 10.215 7.633 ( -11.440 0.000 0.865) 11.473 7.636 ( 3.702 0.000 2.293) 4.355 7.771 ( 12.040 0.000 -3.447) 12.524 7.928 ( -1.075 0.000 -3.187) 3.363 7.984 ( 6.976 0.000 1.081) 7.060 8.304 ( 12.575 0.000 -4.373) 13.313 8.504 ( -16.090 0.000 6.480) 17.346 8.611 ( 2.789 0.000 -5.100) 5.813 8.848 ( 8.289 0.000 0.227) 8.293 9.112 ( -13.123 0.000 0.658) 13.139 9.207 ( -14.391 0.000 -16.489) 21.886 9.221 ( -2.805 0.000 -0.186) 2.811 9.443 ( -6.253 0.000 0.558) 6.278 9.586 ( 6.289 0.000 -14.434) 15.744 9.699 ( -6.656 0.000 -7.302) 9.881 9.785 ( -11.226 0.000 -5.273) 12.403 10.423 ( 9.655 0.000 -0.412) 9.664 10.481 ( 0.159 0.000 12.003) 12.004 10.964 ( -0.039 0.000 -1.231) 1.231 11.197 ( -5.000 0.000 9.846) 11.042 11.559 ( 0.470 0.000 9.675) 9.687 11.593 ( 4.171 0.000 1.143) 4.325 11.906 ( 4.481 0.000 -7.049) 8.353 12.413 ( -8.335 0.000 7.837) 11.441 12.577 ( -4.162 0.000 6.714) 7.899 12.700 ( 5.501 0.000 -1.162) 5.623 12.906 ( -1.155 0.000 -1.074) 1.577 13.177 ( -7.231 0.000 -3.771) 8.155 13.939 ( -5.313 0.000 19.493) 20.204 14.197 ( 11.059 0.000 18.947) 21.939 14.301 ( 4.852 0.000 -6.744) 8.308 14.524 ( -8.154 0.000 1.009) 8.217 14.538 ( 6.426 0.000 -10.488) 12.301 15.085 ( 5.349 0.000 14.079) 15.061 15.111 ( 4.895 0.000 3.086) 5.787 15.464 ( -6.015 0.000 -11.000) 12.537 15.524 ( -0.632 0.000 10.669) 10.688 15.872 ( 17.095 0.000 6.466) 18.277 16.233 ( -0.991 0.000 -2.731) 2.906 16.528 ( 5.570 0.000 6.382) 8.470 16.855 ( 4.803 0.000 -11.999) 12.924 17.145 ( 5.008 0.000 -7.434) 8.963 17.987 ( -22.533 0.000 -56.942) 61.238 18.093 ( -36.870 0.000 -50.992) 62.926 20.813 ( 4.328 0.000 6.098) 7.478 20.845 ( -0.510 0.000 3.201) 3.241 21.348 ( 3.191 0.000 2.633) 4.137 21.605 ( -4.946 0.000 10.912) 11.980 21.704 ( 6.459 0.000 -7.374) 9.802 21.895 ( 3.666 0.000 -9.006) 9.724 22.343 ( 1.506 0.000 10.667) 10.773 22.716 ( 7.063 0.000 -6.218) 9.410 22.741 ( -4.691 0.000 5.996) 7.613 22.825 ( 1.483 0.000 -7.600) 7.743 23.783 ( -2.251 0.000 0.597) 2.329 23.878 ( -4.238 0.000 -4.702) 6.331 24.248 ( 8.131 0.000 1.186) 8.217 24.521 ( -8.957 0.000 12.984) 15.774 26.562 ( -9.250 0.000 7.100) 11.661 26.795 ( 0.858 0.000 -8.708) 8.750 27.232 ( 1.475 0.000 8.487) 8.614 27.533 ( 2.066 0.000 0.370) 2.099 ======================= Grid point 193 (97/128) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -9.623 0.000 -40.332) 41.464 1.708 ( -17.587 0.000 -27.334) 32.503 1.820 ( 10.138 0.000 8.636) 13.318 2.238 ( 3.205 0.000 -8.835) 9.398 2.445 ( 1.673 0.000 8.353) 8.519 2.569 ( 11.109 0.000 -4.778) 12.093 2.776 ( -3.420 0.000 6.537) 7.378 2.805 ( -0.450 0.000 -4.542) 4.565 2.949 ( -7.092 0.000 5.354) 8.886 3.017 ( 5.413 0.000 1.498) 5.616 3.487 ( 7.254 0.000 -0.575) 7.276 3.518 ( -5.582 0.000 -2.463) 6.101 3.696 ( -3.757 0.000 4.363) 5.758 3.832 ( -7.260 0.000 -2.416) 7.652 4.684 ( 7.887 0.000 1.769) 8.083 4.784 ( -3.984 0.000 -0.278) 3.994 4.915 ( -0.134 0.000 -0.307) 0.335 5.122 ( -17.516 0.000 -8.374) 19.415 5.125 ( 2.759 0.000 -9.425) 9.821 5.379 ( -2.657 0.000 -13.928) 14.179 5.671 ( 11.976 0.000 -0.329) 11.981 5.913 ( -15.931 0.000 -4.931) 16.677 6.062 ( 5.854 0.000 3.236) 6.689 6.062 ( 5.351 0.000 3.542) 6.417 6.221 ( -3.922 0.000 0.948) 4.035 6.287 ( 0.609 0.000 -8.092) 8.115 6.591 ( 2.555 0.000 3.513) 4.344 6.670 ( 4.740 0.000 1.524) 4.979 6.717 ( 9.662 0.000 -5.126) 10.938 6.813 ( -15.388 0.000 4.515) 16.036 6.821 ( -9.728 0.000 -0.849) 9.765 6.851 ( -7.884 0.000 0.041) 7.884 7.399 ( 19.217 0.000 2.475) 19.376 7.413 ( 3.361 0.000 -5.219) 6.208 7.526 ( 3.787 0.000 2.119) 4.339 7.683 ( -0.047 0.000 3.232) 3.232 7.850 ( -4.290 0.000 -3.492) 5.532 7.998 ( -9.097 0.000 -1.785) 9.270 8.013 ( 9.925 0.000 8.282) 12.927 8.386 ( 0.219 0.000 4.855) 4.860 8.433 ( -2.476 0.000 1.366) 2.828 8.609 ( 13.136 0.000 -16.767) 21.300 8.746 ( -15.864 0.000 -9.902) 18.701 8.768 ( -17.258 0.000 -4.159) 17.752 9.038 ( 7.324 0.000 2.533) 7.750 9.217 ( -7.589 0.000 3.426) 8.327 9.435 ( 6.684 0.000 -3.439) 7.517 9.548 ( -8.122 0.000 -5.928) 10.055 9.558 ( 4.339 0.000 -9.943) 10.849 9.598 ( -1.867 0.000 -4.913) 5.256 10.536 ( -4.682 0.000 9.369) 10.473 10.585 ( 10.590 0.000 -2.692) 10.927 11.031 ( 7.355 0.000 1.982) 7.617 11.130 ( -11.865 0.000 7.745) 14.169 11.620 ( -2.865 0.000 7.682) 8.199 11.666 ( 3.609 0.000 0.287) 3.620 11.994 ( 12.144 0.000 -4.175) 12.842 12.200 ( -16.428 0.000 0.507) 16.436 12.643 ( -0.847 0.000 9.066) 9.105 12.778 ( 5.288 0.000 -2.901) 6.031 12.919 ( 0.827 0.000 3.463) 3.560 13.072 ( -2.280 0.000 -3.002) 3.769 13.994 ( -8.509 0.000 20.095) 21.822 14.320 ( 5.409 0.000 -7.714) 9.421 14.381 ( -9.711 0.000 2.940) 10.147 14.538 ( 8.139 0.000 -14.799) 16.890 14.599 ( 13.788 0.000 18.836) 23.343 15.251 ( -1.483 0.000 0.681) 1.632 15.288 ( 3.372 0.000 -4.131) 5.332 15.310 ( 4.576 0.000 15.214) 15.887 15.627 ( 1.562 0.000 9.658) 9.784 16.031 ( -9.607 0.000 -12.836) 16.033 16.184 ( 11.376 0.000 8.947) 14.472 16.747 ( 3.821 0.000 9.835) 10.551 16.777 ( 0.042 0.000 -12.648) 12.648 16.953 ( -12.849 0.000 -33.905) 36.258 17.189 ( -19.994 0.000 -32.844) 38.451 17.309 ( -5.774 0.000 -22.463) 23.193 20.867 ( 0.756 0.000 1.209) 1.426 20.880 ( 1.279 0.000 0.450) 1.355 21.446 ( 3.276 0.000 5.871) 6.723 21.634 ( -3.181 0.000 9.997) 10.491 21.695 ( 1.261 0.000 -8.472) 8.566 21.876 ( 4.757 0.000 -10.370) 11.409 22.466 ( 1.847 0.000 9.509) 9.687 22.706 ( -6.539 0.000 6.849) 9.470 22.739 ( 0.967 0.000 -6.677) 6.747 22.803 ( 5.397 0.000 -7.060) 8.886 23.757 ( -1.403 0.000 0.669) 1.554 23.795 ( -1.927 0.000 -2.063) 2.823 24.422 ( 11.808 0.000 -0.676) 11.827 24.456 ( -10.565 0.000 9.470) 14.188 26.500 ( -7.462 0.000 10.457) 12.846 26.740 ( 2.508 0.000 -9.027) 9.369 27.334 ( 1.941 0.000 7.409) 7.659 27.534 ( -0.089 0.000 -3.316) 3.317 ======================= Grid point 194 (98/128) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -13.995 0.000 -8.712) 16.485 1.324 ( 3.258 0.000 -3.247) 4.600 1.987 ( -4.491 0.000 12.520) 13.301 2.080 ( -11.368 0.000 -13.821) 17.896 2.512 ( -6.301 0.000 3.145) 7.043 2.590 ( 0.458 0.000 -4.830) 4.852 2.740 ( 2.387 0.000 2.375) 3.367 2.882 ( 10.016 0.000 -4.936) 11.166 2.978 ( 1.386 0.000 5.235) 5.416 3.092 ( 6.817 0.000 -6.691) 9.552 3.411 ( -7.490 0.000 5.128) 9.077 3.500 ( -3.526 0.000 0.876) 3.633 3.702 ( -8.535 0.000 3.863) 9.369 3.745 ( 2.495 0.000 5.425) 5.971 4.691 ( -7.047 0.000 1.114) 7.134 4.724 ( -14.658 0.000 -1.920) 14.784 4.856 ( 5.942 0.000 0.929) 6.015 4.994 ( 6.704 0.000 5.436) 8.631 5.185 ( 11.368 0.000 -2.458) 11.631 5.231 ( -0.284 0.000 -12.367) 12.370 5.663 ( -10.417 0.000 -0.583) 10.433 5.870 ( 10.287 0.000 0.708) 10.312 6.030 ( -11.360 0.000 6.896) 13.289 6.066 ( -10.702 0.000 7.321) 12.966 6.186 ( -7.445 0.000 -2.921) 7.998 6.224 ( 1.213 0.000 -0.551) 1.332 6.564 ( -7.654 0.000 8.257) 11.259 6.614 ( -11.935 0.000 0.172) 11.936 6.711 ( 3.844 0.000 -0.225) 3.851 6.872 ( 10.687 0.000 -4.897) 11.756 6.876 ( 14.505 0.000 -1.872) 14.625 6.929 ( 16.172 0.000 -5.264) 17.007 7.350 ( -9.059 0.000 -1.143) 9.130 7.421 ( -2.819 0.000 -1.943) 3.423 7.605 ( -9.261 0.000 -0.025) 9.261 7.745 ( -3.903 0.000 -1.764) 4.283 7.813 ( -0.908 0.000 -0.760) 1.184 7.963 ( 24.677 0.000 1.457) 24.720 8.208 ( -14.837 0.000 -7.225) 16.503 8.259 ( 2.491 0.000 13.461) 13.689 8.446 ( -9.343 0.000 -1.654) 9.488 8.520 ( -0.960 0.000 2.866) 3.023 8.537 ( 4.682 0.000 -0.500) 4.708 8.842 ( 21.861 0.000 -10.592) 24.292 9.070 ( -10.587 0.000 0.992) 10.633 9.197 ( 6.921 0.000 3.711) 7.853 9.376 ( -7.711 0.000 -0.156) 7.712 9.506 ( 5.983 0.000 -5.514) 8.136 9.564 ( 3.250 0.000 -6.968) 7.689 9.598 ( 8.012 0.000 -3.085) 8.586 10.495 ( -8.083 0.000 5.812) 9.956 10.697 ( 6.044 0.000 -5.634) 8.263 10.990 ( -9.388 0.000 4.220) 10.293 11.240 ( 15.024 0.000 0.059) 15.024 11.602 ( -6.492 0.000 6.161) 8.950 11.709 ( 1.535 0.000 -0.850) 1.755 11.944 ( -13.156 0.000 0.607) 13.170 12.220 ( 16.947 0.000 -1.945) 17.059 12.674 ( -3.925 0.000 6.487) 7.582 12.807 ( 2.640 0.000 -5.857) 6.424 12.987 ( 3.105 0.000 4.086) 5.132 13.024 ( 0.217 0.000 -4.499) 4.504 14.035 ( -8.506 0.000 21.412) 23.040 14.253 ( -9.777 0.000 5.891) 11.415 14.338 ( 5.939 0.000 -9.975) 11.609 14.555 ( 8.748 0.000 -12.586) 15.328 14.972 ( 10.538 0.000 15.224) 18.515 15.006 ( -8.811 0.000 -18.578) 20.561 15.453 ( -1.561 0.000 1.794) 2.378 15.487 ( 5.513 0.000 5.322) 7.663 15.750 ( 4.619 0.000 9.876) 10.902 15.758 ( -7.721 0.000 -8.754) 11.672 16.425 ( -13.196 0.000 -19.639) 23.661 16.432 ( 8.287 0.000 11.493) 14.169 16.613 ( -9.361 0.000 -2.886) 9.796 16.716 ( 3.485 0.000 0.052) 3.486 17.039 ( 1.681 0.000 8.236) 8.406 17.100 ( -6.345 0.000 -12.325) 13.862 20.892 ( 1.788 0.000 -0.558) 1.873 20.894 ( 1.571 0.000 -1.793) 2.383 21.539 ( 0.377 0.000 6.450) 6.461 21.601 ( -2.766 0.000 -8.840) 9.263 21.677 ( -1.820 0.000 8.604) 8.794 21.864 ( 5.678 0.000 -11.835) 13.127 22.573 ( 0.982 0.000 8.530) 8.587 22.643 ( -8.846 0.000 7.778) 11.779 22.664 ( -0.582 0.000 -8.854) 8.873 22.837 ( 4.531 0.000 -5.309) 6.980 23.755 ( 0.154 0.000 1.496) 1.504 23.772 ( 0.454 0.000 -0.532) 0.700 24.349 ( -9.997 0.000 5.619) 11.468 24.616 ( 13.667 0.000 -4.784) 14.480 26.508 ( -4.098 0.000 12.673) 13.319 26.721 ( 5.267 0.000 -9.417) 10.789 27.427 ( 1.429 0.000 6.238) 6.400 27.480 ( -1.000 0.000 -5.921) 6.004 ======================= Grid point 195 (99/128) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 1.662 0.000 34.645) 34.685 1.624 ( 11.663 0.000 26.784) 29.213 1.730 ( -10.198 0.000 -7.244) 12.509 1.937 ( -14.498 0.000 17.142) 22.451 2.336 ( -9.732 0.000 -0.610) 9.751 2.536 ( -0.864 0.000 -7.635) 7.684 2.859 ( 4.941 0.000 0.378) 4.955 2.965 ( 6.494 0.000 -8.823) 10.955 2.991 ( -0.881 0.000 -3.004) 3.131 3.172 ( 9.371 0.000 -3.836) 10.126 3.327 ( -6.044 0.000 0.092) 6.045 3.461 ( -5.544 0.000 7.966) 9.706 3.599 ( -12.476 0.000 11.230) 16.785 3.848 ( 2.847 0.000 6.024) 6.663 4.585 ( -5.920 0.000 0.806) 5.975 4.631 ( -3.922 0.000 20.643) 21.012 4.966 ( 6.824 0.000 -4.036) 7.929 5.142 ( -2.061 0.000 -3.091) 3.715 5.185 ( 4.530 0.000 9.944) 10.927 5.404 ( 9.336 0.000 2.712) 9.722 5.546 ( -0.746 0.000 -4.528) 4.589 5.854 ( -13.947 0.000 3.344) 14.342 5.902 ( -10.904 0.000 5.837) 12.367 5.934 ( -9.019 0.000 11.283) 14.445 6.183 ( 11.078 0.000 0.663) 11.098 6.205 ( -2.495 0.000 -1.434) 2.878 6.436 ( -9.217 0.000 1.452) 9.330 6.629 ( 5.471 0.000 6.142) 8.225 6.871 ( -14.691 0.000 -1.406) 14.758 6.873 ( 15.394 0.000 -3.320) 15.748 7.009 ( 8.222 0.000 -2.979) 8.745 7.072 ( 5.272 0.000 -1.432) 5.463 7.173 ( -12.208 0.000 6.895) 14.021 7.388 ( 13.080 0.000 -9.201) 15.992 7.683 ( -2.780 0.000 -1.203) 3.029 7.689 ( 15.316 0.000 -2.892) 15.587 7.825 ( -3.341 0.000 7.258) 7.990 7.886 ( -13.126 0.000 -9.032) 15.933 8.094 ( -5.002 0.000 -6.995) 8.599 8.251 ( -5.309 0.000 -0.900) 5.384 8.534 ( 16.433 0.000 3.455) 16.793 8.552 ( 3.591 0.000 0.417) 3.615 8.736 ( -0.448 0.000 13.099) 13.106 8.953 ( -0.507 0.000 3.734) 3.769 9.072 ( 5.926 0.000 2.347) 6.374 9.227 ( -4.123 0.000 1.663) 4.446 9.425 ( 16.252 0.000 -4.935) 16.985 9.572 ( 5.187 0.000 -6.127) 8.027 9.607 ( 10.979 0.000 -0.579) 10.994 9.731 ( 9.029 0.000 -0.173) 9.031 10.391 ( -8.364 0.000 2.799) 8.820 10.690 ( 0.691 0.000 -5.509) 5.552 10.897 ( -6.167 0.000 1.353) 6.314 11.444 ( 11.389 0.000 -10.434) 15.446 11.538 ( -6.375 0.000 5.818) 8.631 11.692 ( -1.595 0.000 -3.275) 3.643 11.800 ( -5.768 0.000 3.013) 6.507 12.488 ( 15.291 0.000 -1.727) 15.388 12.639 ( -5.507 0.000 4.156) 6.900 12.759 ( 0.037 0.000 -8.826) 8.826 12.990 ( 1.066 0.000 -5.652) 5.752 13.100 ( 6.487 0.000 3.526) 7.384 14.118 ( -3.231 0.000 15.584) 15.915 14.180 ( -8.239 0.000 15.542) 17.591 14.320 ( 4.183 0.000 -14.269) 14.869 14.594 ( 2.983 0.000 -7.749) 8.304 14.668 ( -3.582 0.000 -22.299) 22.585 15.194 ( -0.877 0.000 5.492) 5.562 15.301 ( -1.244 0.000 -6.272) 6.394 15.381 ( -7.425 0.000 -13.144) 15.096 15.701 ( 1.012 0.000 -3.841) 3.972 15.984 ( 0.561 0.000 10.209) 10.224 16.087 ( -8.420 0.000 -5.146) 9.868 16.574 ( -4.760 0.000 13.310) 14.136 16.766 ( -11.463 0.000 -13.046) 17.367 16.783 ( 11.166 0.000 27.960) 30.107 17.147 ( 23.036 0.000 34.615) 41.579 17.148 ( 2.042 0.000 15.023) 15.161 20.906 ( 2.577 0.000 -3.218) 4.122 20.907 ( 1.277 0.000 -3.237) 3.480 21.452 ( -5.425 0.000 -7.560) 9.305 21.568 ( -3.359 0.000 5.779) 6.684 21.725 ( -1.385 0.000 7.078) 7.213 21.853 ( 6.440 0.000 -12.645) 14.191 22.553 ( -10.690 0.000 8.795) 13.843 22.568 ( -0.168 0.000 -10.225) 10.227 22.655 ( -0.033 0.000 7.857) 7.857 22.855 ( 3.017 0.000 -4.595) 5.497 23.793 ( 2.170 0.000 -0.062) 2.171 23.793 ( 1.929 0.000 3.117) 3.666 24.233 ( -7.944 0.000 2.454) 8.314 24.774 ( 12.533 0.000 -10.061) 16.072 26.582 ( -1.038 0.000 11.929) 11.974 26.744 ( 7.284 0.000 -9.006) 11.582 27.402 ( -0.786 0.000 -7.334) 7.376 27.487 ( -0.446 0.000 4.323) 4.346 ======================= Grid point 196 (100/128) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 1.363 0.000 8.739) 8.844 1.735 ( -15.149 0.000 16.700) 22.548 1.975 ( 12.680 0.000 35.957) 38.127 1.984 ( -5.738 0.000 8.315) 10.103 2.419 ( 12.775 0.000 19.228) 23.085 2.445 ( -0.324 0.000 -5.841) 5.850 2.783 ( -9.529 0.000 -1.391) 9.630 2.889 ( -5.897 0.000 -8.593) 10.422 3.067 ( 8.978 0.000 3.882) 9.781 3.270 ( 3.341 0.000 -2.520) 4.185 3.341 ( 14.230 0.000 -6.996) 15.857 3.435 ( -6.960 0.000 8.894) 11.293 3.490 ( -16.369 0.000 20.698) 26.389 3.920 ( 0.278 0.000 3.705) 3.715 4.503 ( -4.461 0.000 -1.184) 4.615 4.855 ( 4.081 0.000 5.665) 6.982 5.051 ( 8.273 0.000 6.543) 10.548 5.109 ( -3.497 0.000 10.256) 10.836 5.191 ( -9.244 0.000 1.066) 9.305 5.498 ( 0.555 0.000 5.296) 5.325 5.544 ( 5.625 0.000 -9.161) 10.750 5.699 ( -13.139 0.000 12.104) 17.865 5.753 ( -7.516 0.000 -0.423) 7.528 6.043 ( 9.420 0.000 7.498) 12.040 6.122 ( -5.520 0.000 1.114) 5.631 6.347 ( -4.477 0.000 4.630) 6.441 6.398 ( 9.866 0.000 2.869) 10.275 6.669 ( -5.618 0.000 -3.377) 6.555 6.684 ( -3.663 0.000 0.097) 3.664 7.009 ( 1.697 0.000 -2.783) 3.260 7.081 ( -1.520 0.000 -1.777) 2.338 7.154 ( 10.697 0.000 -0.580) 10.713 7.256 ( 7.346 0.000 16.680) 18.226 7.489 ( -15.017 0.000 -2.585) 15.238 7.505 ( 7.086 0.000 -8.223) 10.855 7.734 ( 3.046 0.000 -5.591) 6.366 7.828 ( -2.976 0.000 5.998) 6.696 7.947 ( 13.482 0.000 1.025) 13.521 7.950 ( -1.748 0.000 -4.611) 4.932 8.153 ( -2.521 0.000 -5.795) 6.320 8.541 ( -6.808 0.000 3.028) 7.451 8.762 ( 6.178 0.000 -3.135) 6.928 8.794 ( 9.199 0.000 -0.218) 9.201 9.072 ( -2.367 0.000 2.307) 3.305 9.117 ( 2.957 0.000 15.434) 15.715 9.203 ( -6.521 0.000 8.279) 10.539 9.602 ( 6.527 0.000 -2.099) 6.857 9.747 ( 24.674 0.000 -10.259) 26.721 9.874 ( 14.877 0.000 6.569) 16.263 9.883 ( 8.685 0.000 0.309) 8.691 10.285 ( -5.419 0.000 1.109) 5.531 10.593 ( -3.989 0.000 -13.513) 14.090 10.848 ( -3.825 0.000 11.414) 12.038 11.362 ( -6.139 0.000 -16.610) 17.709 11.501 ( -4.056 0.000 3.351) 5.261 11.598 ( -5.061 0.000 -4.119) 6.525 11.792 ( -0.337 0.000 5.626) 5.636 12.574 ( -1.186 0.000 -10.508) 10.575 12.587 ( -3.972 0.000 3.298) 5.162 12.760 ( 9.198 0.000 -2.626) 9.565 12.960 ( 1.038 0.000 -4.279) 4.403 13.285 ( 11.594 0.000 4.433) 12.412 14.119 ( -4.640 0.000 6.018) 7.599 14.155 ( -6.536 0.000 -19.856) 20.904 14.306 ( -1.134 0.000 16.900) 16.938 14.384 ( 2.663 0.000 -20.069) 20.245 14.694 ( 7.365 0.000 -4.387) 8.573 15.045 ( -7.237 0.000 -2.844) 7.776 15.135 ( -6.965 0.000 -11.920) 13.805 15.478 ( 10.040 0.000 9.399) 13.753 15.621 ( -22.086 0.000 -8.268) 23.583 15.660 ( 1.838 0.000 -8.360) 8.560 16.226 ( -2.474 0.000 -2.967) 3.863 16.452 ( -6.239 0.000 2.036) 6.563 16.594 ( -7.892 0.000 12.715) 14.965 16.973 ( -4.919 0.000 6.489) 8.143 17.706 ( 22.536 0.000 53.049) 57.638 18.200 ( 50.049 0.000 51.077) 71.511 20.843 ( -3.245 0.000 -8.785) 9.366 20.920 ( 3.124 0.000 -4.500) 5.478 21.302 ( -6.178 0.000 -3.008) 6.871 21.534 ( -5.772 0.000 3.301) 6.649 21.747 ( -3.466 0.000 6.399) 7.278 21.855 ( 7.512 0.000 -12.335) 14.442 22.450 ( -11.533 0.000 9.889) 15.192 22.485 ( 2.433 0.000 -11.349) 11.607 22.716 ( -0.938 0.000 7.212) 7.273 22.858 ( 2.238 0.000 -4.038) 4.617 23.837 ( 3.210 0.000 -0.571) 3.260 23.870 ( 2.355 0.000 4.864) 5.404 24.139 ( -4.587 0.000 1.379) 4.789 24.837 ( 7.988 0.000 -14.758) 16.782 26.663 ( -1.618 0.000 9.556) 9.692 26.796 ( 7.662 0.000 -7.342) 10.611 27.326 ( 0.246 0.000 -8.207) 8.211 27.479 ( -3.751 0.000 1.422) 4.012 ======================= Grid point 197 (101/128) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 11.973 0.000 4.909) 12.940 1.694 ( -9.693 0.000 19.932) 22.163 1.932 ( -1.071 0.000 1.878) 2.162 2.232 ( -5.175 0.000 4.394) 6.789 2.478 ( -4.483 0.000 5.203) 6.868 2.548 ( -9.221 0.000 -2.201) 9.480 2.802 ( 6.923 0.000 -0.846) 6.975 2.810 ( 7.964 0.000 4.939) 9.371 3.265 ( -8.449 0.000 22.998) 24.501 3.358 ( -0.342 0.000 18.337) 18.340 3.411 ( 0.225 0.000 3.520) 3.527 3.493 ( 12.683 0.000 10.000) 16.151 3.585 ( 9.787 0.000 5.593) 11.272 3.942 ( -0.598 0.000 2.191) 2.271 4.391 ( -3.401 0.000 -8.337) 9.004 4.757 ( -7.168 0.000 -11.893) 13.886 5.065 ( -4.341 0.000 1.633) 4.638 5.100 ( -0.869 0.000 6.821) 6.876 5.396 ( -2.932 0.000 -4.732) 5.567 5.452 ( -8.092 0.000 1.725) 8.274 5.502 ( 15.949 0.000 5.192) 16.773 5.665 ( -7.089 0.000 12.647) 14.498 5.837 ( 17.308 0.000 -3.214) 17.604 6.101 ( 3.061 0.000 1.411) 3.370 6.212 ( -3.330 0.000 6.257) 7.087 6.358 ( -0.940 0.000 6.851) 6.916 6.489 ( -1.611 0.000 1.481) 2.188 6.588 ( 5.886 0.000 -4.048) 7.143 6.710 ( 2.178 0.000 3.811) 4.390 6.916 ( -11.031 0.000 -5.215) 12.202 7.011 ( -3.815 0.000 -2.850) 4.762 7.056 ( -11.004 0.000 -7.464) 13.297 7.320 ( 3.499 0.000 4.130) 5.413 7.476 ( -2.358 0.000 -3.491) 4.213 7.613 ( 10.618 0.000 3.028) 11.041 7.763 ( 6.964 0.000 -8.238) 10.787 7.809 ( -4.080 0.000 0.759) 4.150 8.039 ( -6.447 0.000 -4.926) 8.113 8.052 ( 9.379 0.000 8.269) 12.503 8.111 ( 1.701 0.000 6.929) 7.135 8.479 ( -1.052 0.000 3.166) 3.336 8.774 ( -8.509 0.000 0.247) 8.513 8.924 ( 18.690 0.000 -10.327) 21.354 9.078 ( -8.645 0.000 4.605) 9.795 9.242 ( 9.952 0.000 6.760) 12.031 9.294 ( 1.703 0.000 15.533) 15.626 9.717 ( 6.524 0.000 3.386) 7.351 9.960 ( 0.417 0.000 -0.914) 1.004 10.063 ( 22.310 0.000 -9.103) 24.095 10.071 ( -2.160 0.000 3.289) 3.934 10.329 ( 9.752 0.000 1.847) 9.925 10.350 ( -7.530 0.000 -15.177) 16.942 10.939 ( -1.067 0.000 13.704) 13.745 11.033 ( -16.725 0.000 -3.867) 17.166 11.434 ( -5.376 0.000 -0.717) 5.424 11.470 ( -5.418 0.000 -3.175) 6.279 11.876 ( 2.582 0.000 7.670) 8.093 12.412 ( -3.626 0.000 -12.855) 13.356 12.583 ( -0.565 0.000 4.443) 4.479 12.861 ( 4.235 0.000 -5.945) 7.299 12.973 ( 2.769 0.000 4.028) 4.888 13.566 ( 13.540 0.000 6.005) 14.812 13.838 ( -5.215 0.000 -20.180) 20.843 14.080 ( -6.550 0.000 5.286) 8.417 14.303 ( 6.698 0.000 -17.250) 18.505 14.386 ( -1.324 0.000 6.470) 6.604 14.765 ( 5.670 0.000 -5.609) 7.975 14.882 ( -14.454 0.000 -1.805) 14.567 14.964 ( -1.776 0.000 -7.236) 7.450 15.148 ( -18.079 0.000 -6.724) 19.289 15.630 ( 3.706 0.000 -7.746) 8.587 15.755 ( 0.699 0.000 3.415) 3.486 15.993 ( 0.300 0.000 -0.355) 0.465 16.522 ( -11.927 0.000 7.517) 14.098 16.615 ( 9.106 0.000 7.583) 11.850 16.904 ( -6.945 0.000 2.925) 7.536 18.639 ( 25.275 0.000 56.961) 62.317 19.547 ( 55.890 0.000 35.558) 66.243 20.632 ( -8.537 0.000 -15.115) 17.359 20.920 ( 1.530 0.000 -5.434) 5.645 21.186 ( -6.771 0.000 0.942) 6.836 21.422 ( -8.312 0.000 -2.258) 8.613 21.731 ( -5.488 0.000 7.264) 9.104 21.877 ( 7.370 0.000 -10.923) 13.177 22.346 ( -11.925 0.000 10.781) 16.076 22.457 ( 7.137 0.000 -11.944) 13.914 22.754 ( -1.901 0.000 6.315) 6.595 22.860 ( 2.193 0.000 -3.656) 4.263 23.887 ( 3.894 0.000 -1.695) 4.247 23.921 ( -1.724 0.000 3.056) 3.509 24.142 ( 1.737 0.000 6.078) 6.322 24.764 ( 0.495 0.000 -17.015) 17.022 26.702 ( -4.322 0.000 10.883) 11.710 26.865 ( 6.874 0.000 -4.701) 8.328 27.266 ( 1.892 0.000 -8.447) 8.657 27.386 ( -6.987 0.000 -1.526) 7.151 ======================= Grid point 198 (102/128) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -10.757 0.830 13.425) 17.223 1.906 ( 11.114 1.382 -0.676) 11.220 2.002 ( -11.308 -1.072 8.592) 14.242 2.136 ( 8.709 7.583 -1.795) 11.686 2.353 ( -10.310 -2.115 7.960) 13.196 2.541 ( 7.067 7.072 -4.497) 10.962 2.834 ( -2.725 -1.180 -1.252) 3.222 2.881 ( -1.007 2.854 -0.608) 3.087 3.214 ( -9.777 -1.500 11.757) 15.364 3.463 ( 6.492 -2.004 -4.918) 8.388 3.668 ( -4.206 6.083 24.550) 25.640 3.835 ( 12.364 1.673 7.742) 14.684 3.892 ( -4.063 -5.971 7.166) 10.175 3.921 ( 14.462 2.206 13.317) 19.782 4.298 ( 7.376 0.836 -19.472) 20.839 4.356 ( -10.686 -9.367 -17.175) 22.291 5.101 ( 3.774 -0.388 5.475) 6.661 5.161 ( -8.036 0.891 2.490) 8.460 5.296 ( 1.332 -1.005 0.972) 1.931 5.361 ( -0.351 3.165 -3.099) 4.443 5.543 ( -5.985 -4.832 7.398) 10.673 5.699 ( 12.061 -8.545 -5.223) 15.677 5.961 ( -12.990 -5.800 4.593) 14.949 6.076 ( 15.010 -7.065 -4.290) 17.135 6.265 ( 12.931 -2.113 3.385) 13.533 6.367 ( -9.083 -1.746 -3.336) 9.832 6.425 ( -0.212 -0.938 5.374) 5.459 6.593 ( 0.612 -4.761 -5.149) 7.039 6.680 ( 1.652 -1.664 0.222) 2.355 6.760 ( 0.780 -3.312 -3.293) 4.735 6.941 ( 2.260 3.894 2.298) 5.054 7.035 ( -3.627 2.228 -5.787) 7.184 7.360 ( -2.528 2.777 5.031) 6.278 7.439 ( -1.967 2.545 -1.747) 3.660 7.679 ( -5.451 -0.813 2.026) 5.872 7.764 ( 2.494 0.925 -5.513) 6.121 7.926 ( 6.695 7.032 0.419) 9.718 7.938 ( -8.153 4.913 -0.508) 9.533 8.179 ( -4.241 2.531 6.154) 7.891 8.254 ( 6.804 3.105 -0.073) 7.479 8.615 ( 5.345 2.941 2.994) 6.796 8.661 ( -5.327 5.020 -0.852) 7.369 8.862 ( -15.451 -5.213 8.804) 18.532 9.100 ( 15.362 -3.342 -10.080) 18.675 9.421 ( 3.739 -2.063 8.340) 9.369 9.552 ( 10.778 1.126 0.030) 10.836 9.794 ( -2.893 -8.089 3.351) 9.221 9.832 ( -2.032 -8.577 -1.262) 8.905 9.936 ( 0.427 1.097 2.666) 2.914 10.046 ( -5.130 0.463 -6.785) 8.519 10.394 ( 6.580 7.702 3.527) 10.726 10.566 ( -4.382 15.545 -12.427) 20.379 10.759 ( 8.146 -12.448 11.260) 18.657 10.962 ( -6.507 -9.100 -5.950) 12.671 11.242 ( -3.787 -5.169 11.607) 13.259 11.424 ( -1.238 -0.820 -3.671) 3.960 12.118 ( 0.179 10.835 8.069) 13.511 12.336 ( -2.399 9.436 -11.869) 15.351 12.661 ( -0.319 1.676 5.559) 5.815 12.817 ( -2.167 1.664 -8.352) 8.788 13.163 ( 5.053 3.834 10.907) 12.617 13.442 ( -5.868 -1.436 -14.103) 15.343 13.885 ( 11.713 -8.730 10.316) 17.884 14.019 ( -9.308 1.161 -0.861) 9.420 14.237 ( -10.039 -7.063 -10.890) 16.409 14.280 ( 6.813 -1.741 -12.476) 14.321 14.565 ( -7.548 0.607 11.153) 13.481 14.742 ( 7.290 -8.116 -4.558) 11.823 14.960 ( -6.003 1.196 0.148) 6.122 15.036 ( 4.287 9.336 -7.222) 12.557 15.540 ( -8.767 -3.699 4.490) 10.522 15.667 ( 3.327 0.393 -6.965) 7.729 16.310 ( 8.140 3.632 6.373) 10.957 16.401 ( -3.631 5.396 -2.082) 6.829 16.811 ( -1.048 1.567 4.804) 5.161 16.868 ( 3.817 3.292 -0.323) 5.051 19.536 ( 21.521 2.137 45.210) 50.116 20.253 ( -11.892 -2.594 -20.864) 24.155 20.401 ( 29.831 -12.874 16.325) 36.361 20.687 ( -12.772 -7.625 -9.406) 17.600 21.217 ( 11.935 5.785 -0.959) 13.297 21.292 ( -14.140 3.439 -7.068) 16.178 21.700 ( -6.131 -0.330 6.859) 9.205 21.841 ( 4.958 -4.658 -6.204) 9.207 22.317 ( -9.128 5.609 7.015) 12.806 22.484 ( 7.517 -1.206 -6.727) 10.159 22.812 ( 0.555 3.825 2.600) 4.658 22.882 ( 1.089 1.578 -3.311) 3.826 23.915 ( -1.220 2.651 2.204) 3.656 23.976 ( 2.787 3.963 -3.164) 5.787 24.270 ( 2.466 -0.603 10.704) 11.001 24.530 ( -6.236 -3.164 -13.535) 15.235 26.718 ( -3.254 -1.488 11.704) 12.238 26.890 ( 4.616 -3.651 -4.206) 7.234 27.217 ( -7.193 -1.703 -2.499) 7.803 27.233 ( 2.451 -1.794 -4.789) 5.672 ======================= Grid point 199 (103/128) ======================= q-point: ( 0.11 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -13.224 2.004 6.911) 15.055 1.881 ( -7.396 3.985 7.517) 11.274 2.020 ( 5.155 -3.306 -4.730) 7.738 2.239 ( 4.393 1.346 0.283) 4.604 2.404 ( 4.172 1.272 8.216) 9.302 2.637 ( 4.959 5.666 0.639) 7.557 2.694 ( -6.412 -3.442 -3.666) 8.148 2.880 ( -0.999 4.957 1.317) 5.225 3.148 ( -7.977 0.964 7.231) 10.810 3.506 ( 2.132 -4.455 -4.989) 7.020 3.713 ( -6.295 3.995 -5.142) 9.057 3.739 ( -6.447 1.344 5.147) 8.358 3.970 ( -10.776 -10.682 -19.422) 24.646 4.111 ( 7.988 -0.916 -2.254) 8.351 4.295 ( 12.405 5.896 -9.830) 16.890 4.333 ( 9.448 -8.871 13.865) 18.979 5.057 ( -9.854 -6.661 6.258) 13.440 5.170 ( -0.081 -1.206 -2.643) 2.906 5.265 ( 3.970 0.224 1.895) 4.405 5.457 ( 4.464 2.856 -2.399) 5.817 5.556 ( 5.153 6.660 4.203) 9.412 5.706 ( -8.367 -3.520 -0.008) 9.077 5.859 ( 7.063 -7.492 -6.877) 12.383 6.128 ( -0.250 -4.401 -7.308) 8.534 6.296 ( 1.821 -1.158 -1.061) 2.405 6.439 ( 3.774 -1.740 -0.237) 4.162 6.548 ( 0.263 -2.598 -0.999) 2.796 6.584 ( 3.030 -0.204 -1.921) 3.593 6.692 ( 9.701 -6.593 -3.856) 12.346 6.781 ( 2.118 -6.305 -3.060) 7.322 6.958 ( 4.581 1.142 1.695) 5.017 7.063 ( 4.671 4.041 2.409) 6.629 7.347 ( -6.531 2.400 3.652) 7.858 7.406 ( -3.952 4.601 5.283) 8.043 7.595 ( -5.350 -2.527 2.410) 6.388 7.652 ( -7.108 3.545 -0.463) 7.956 7.886 ( 0.535 0.404 0.528) 0.854 8.048 ( 0.973 3.812 4.115) 5.693 8.131 ( -3.488 4.286 -0.418) 5.542 8.277 ( -1.688 4.022 -4.133) 6.009 8.569 ( -0.400 3.963 -1.531) 4.268 8.715 ( -6.582 -2.393 4.451) 8.298 8.777 ( 5.395 2.547 2.377) 6.422 9.140 ( -5.363 0.898 -1.477) 5.634 9.480 ( 5.429 -5.440 -10.280) 12.835 9.537 ( -3.210 -6.282 -11.872) 13.810 9.721 ( -4.656 -1.932 0.792) 5.103 9.865 ( -0.102 -2.966 0.225) 2.977 9.952 ( 1.748 -2.421 4.133) 5.099 10.089 ( 7.370 2.814 3.370) 8.578 10.227 ( -14.863 11.575 -5.122) 19.522 10.490 ( -6.508 8.070 -2.741) 10.723 10.835 ( 1.789 -15.402 -5.793) 16.552 10.995 ( 6.267 -6.304 8.646) 12.400 11.327 ( 0.381 -5.187 10.220) 11.467 11.385 ( 0.540 -0.800 -2.251) 2.450 12.179 ( -2.005 10.314 -2.332) 10.763 12.258 ( 2.572 9.110 5.256) 10.827 12.672 ( -3.923 0.919 2.026) 4.510 12.734 ( -1.833 1.738 1.732) 3.063 13.225 ( -4.499 3.015 -13.141) 14.213 13.381 ( 6.698 0.816 14.080) 15.614 13.728 ( -17.199 -5.911 -7.892) 19.825 14.019 ( -7.561 0.483 4.521) 8.823 14.143 ( 5.610 -6.333 8.379) 11.907 14.356 ( 9.501 -1.896 -5.427) 11.105 14.589 ( -1.711 -2.482 6.020) 6.732 14.821 ( 5.003 -4.401 -3.879) 7.710 14.901 ( 0.506 -1.530 3.005) 3.410 15.190 ( 17.252 8.024 -2.294) 19.165 15.456 ( -6.475 -1.174 7.720) 10.144 15.753 ( 8.969 -0.987 -0.081) 9.024 16.127 ( -13.608 6.310 -4.263) 15.594 16.545 ( 3.714 -3.937 -2.148) 5.823 16.805 ( 4.714 7.972 0.074) 9.262 17.005 ( 9.710 2.773 -3.216) 10.598 19.710 ( -18.553 1.289 -39.514) 43.672 20.143 ( -25.907 -7.598 -22.477) 35.130 20.191 ( 11.890 2.505 22.752) 25.794 20.858 ( 10.875 -2.241 2.540) 11.390 21.029 ( -6.556 -7.515 -0.525) 9.987 21.492 ( 13.734 2.390 2.620) 14.185 21.638 ( -5.631 0.362 5.618) 7.962 21.902 ( 6.933 -1.505 -4.570) 8.439 22.234 ( -8.051 4.126 7.552) 11.784 22.543 ( 4.863 -2.993 -3.884) 6.906 22.812 ( -0.215 4.193 -1.664) 4.516 22.910 ( 3.871 3.239 -1.484) 5.261 23.875 ( -3.509 2.536 0.349) 4.344 24.025 ( 4.870 3.504 -2.915) 6.670 24.288 ( -8.854 -2.001 -6.867) 11.382 24.411 ( -0.391 -1.216 12.641) 12.705 26.716 ( -7.053 -3.318 6.576) 10.198 26.859 ( -1.811 -5.526 -7.661) 9.618 27.143 ( -0.497 1.971 3.516) 4.061 27.311 ( 6.474 -2.174 2.317) 7.211 ======================= Grid point 200 (104/128) ======================= q-point: ( 0.22 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -7.810 -1.381 1.458) 8.064 1.914 ( 3.536 2.790 5.680) 7.249 2.050 ( 4.408 -5.190 -4.484) 8.153 2.300 ( 1.195 2.768 -1.962) 3.597 2.481 ( -1.627 -4.401 0.823) 4.763 2.606 ( -2.385 -2.093 11.373) 11.807 2.738 ( 2.141 -1.886 -1.347) 3.155 2.841 ( 1.654 5.693 -14.722) 15.871 3.081 ( -5.699 3.171 6.188) 8.991 3.391 ( -10.557 -3.384 -6.405) 12.803 3.427 ( -11.062 -2.144 -22.109) 24.814 3.633 ( 2.949 1.834 -6.899) 7.723 3.817 ( -1.550 -6.315 -3.436) 7.354 4.014 ( -1.962 -1.308 -15.290) 15.470 4.461 ( 7.302 5.211 4.445) 10.011 4.576 ( 3.149 -10.913 12.696) 17.035 4.963 ( -7.641 -9.369 7.559) 14.259 5.175 ( 0.825 -2.838 -6.873) 7.481 5.285 ( 0.313 -4.741 1.533) 4.992 5.510 ( 7.410 7.703 -7.441) 13.023 5.677 ( 1.683 7.201 1.539) 7.554 5.705 ( 8.125 1.139 0.562) 8.223 5.915 ( 10.069 -6.042 -11.918) 16.731 6.132 ( 2.974 -5.187 -6.285) 8.675 6.245 ( 1.591 2.677 -3.867) 4.964 6.431 ( -5.472 0.724 1.044) 5.618 6.483 ( 3.450 -2.862 -7.716) 8.923 6.661 ( 0.908 -4.422 -6.228) 7.692 6.704 ( 6.950 5.168 0.507) 8.675 6.868 ( 3.613 -4.664 2.139) 6.275 7.071 ( -9.883 1.144 5.181) 11.217 7.131 ( -0.844 3.883 3.337) 5.189 7.252 ( -0.454 -2.894 5.668) 6.380 7.423 ( -0.394 4.916 8.206) 9.574 7.542 ( -4.683 -2.057 2.254) 5.590 7.592 ( -1.848 -2.765 0.491) 3.361 7.896 ( -2.099 -0.215 -1.329) 2.494 7.960 ( -7.611 0.447 -1.022) 7.693 8.064 ( -2.841 6.015 -4.333) 7.939 8.256 ( 6.691 7.157 -3.981) 10.575 8.587 ( 3.682 0.848 -2.910) 4.769 8.714 ( -8.238 -1.177 3.618) 9.074 8.751 ( -0.331 3.123 -0.525) 3.184 9.079 ( 1.783 3.000 0.923) 3.610 9.297 ( -8.515 -9.008 -9.006) 15.322 9.512 ( 3.841 -5.472 -10.265) 12.250 9.598 ( -1.167 1.982 -11.656) 11.881 9.780 ( -10.499 10.540 -5.328) 15.802 9.909 ( -13.070 2.579 -0.366) 13.327 10.046 ( -7.465 -0.988 -2.895) 8.067 10.191 ( 7.435 -4.425 2.513) 9.010 10.387 ( 0.818 2.535 3.297) 4.239 10.830 ( -1.038 -14.034 -2.018) 14.216 11.095 ( -1.581 -5.101 3.956) 6.646 11.396 ( 4.790 -8.132 1.296) 9.526 11.459 ( 1.911 -1.998 8.493) 8.931 12.121 ( -0.529 14.839 -2.137) 15.002 12.399 ( 2.303 7.873 11.889) 14.444 12.649 ( -0.960 3.652 2.585) 4.576 12.718 ( -4.398 1.560 5.720) 7.382 13.053 ( -3.149 5.749 -10.053) 12.002 13.368 ( -12.567 -3.686 -6.414) 14.583 13.678 ( 7.440 -3.469 16.653) 18.566 13.993 ( -4.628 0.055 11.359) 12.266 14.279 ( 3.978 -1.128 5.012) 6.497 14.453 ( 4.872 -3.057 -3.265) 6.614 14.580 ( -0.985 -5.393 -0.376) 5.495 14.893 ( 3.472 1.703 6.410) 7.486 14.984 ( 5.780 -4.404 0.625) 7.293 15.428 ( -0.204 -2.408 7.493) 7.873 15.556 ( 17.490 6.547 3.856) 19.069 15.787 ( -8.728 6.938 -7.794) 13.604 16.028 ( 8.982 -2.141 6.299) 11.178 16.467 ( -4.962 -8.377 -5.990) 11.432 16.932 ( 9.596 9.534 -5.595) 14.639 17.118 ( 8.211 3.493 -5.059) 10.257 18.917 ( -23.419 1.552 -54.366) 59.215 19.199 ( -39.054 -3.114 -47.516) 61.585 20.594 ( 10.296 0.167 14.412) 17.713 20.888 ( -3.788 5.282 5.564) 8.556 21.095 ( 7.988 -13.535 -1.769) 15.815 21.539 ( -6.331 -6.877 6.881) 11.607 21.759 ( 10.412 9.911 -1.151) 14.421 21.959 ( 4.770 3.690 -5.680) 8.284 22.208 ( -3.283 -1.328 8.956) 9.631 22.574 ( 0.974 -6.848 -0.396) 6.928 22.798 ( 2.185 5.969 -4.061) 7.543 22.962 ( 3.197 6.730 -0.843) 7.498 23.822 ( -2.965 0.683 0.156) 3.047 24.006 ( -3.747 -0.033 -6.962) 7.907 24.175 ( 1.250 2.611 1.359) 3.198 24.494 ( -4.794 -2.026 13.945) 14.885 26.623 ( -8.813 -4.527 3.981) 10.678 26.750 ( -1.765 -8.988 -7.128) 11.606 27.215 ( 1.902 5.572 6.632) 8.869 27.444 ( 5.016 -1.329 3.591) 6.310 ======================= Grid point 201 (105/128) ======================= q-point: ( 0.33 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 7.674 -7.355 0.677) 10.651 1.966 ( -1.955 -10.732 -20.314) 23.058 2.043 ( -0.060 0.415 -3.674) 3.697 2.319 ( 2.511 -0.637 4.851) 5.500 2.379 ( -8.106 -3.737 -8.739) 12.492 2.533 ( 0.987 6.723 -23.982) 24.926 2.711 ( -1.128 -0.783 11.633) 11.713 2.838 ( 5.047 -5.574 0.154) 7.521 2.963 ( -11.115 -3.035 -11.885) 16.554 3.106 ( -5.658 4.368 5.275) 8.884 3.325 ( 3.134 -3.701 -2.602) 5.503 3.626 ( 0.985 2.790 -3.544) 4.617 3.735 ( -2.702 -1.486 -4.551) 5.497 3.865 ( -5.592 -7.785 -6.541) 11.605 4.585 ( 4.337 1.104 2.678) 5.215 4.690 ( -0.244 -7.749 6.925) 10.395 4.925 ( -2.271 -5.717 0.960) 6.226 5.064 ( -4.649 -11.144 -1.934) 12.229 5.332 ( 3.044 -4.009 -7.326) 8.888 5.517 ( 0.159 6.868 -12.180) 13.984 5.651 ( 1.876 4.152 -7.380) 8.674 5.865 ( 7.309 -3.653 3.235) 8.788 5.986 ( 9.497 -9.790 -14.827) 20.146 6.008 ( -2.964 4.007 -1.513) 5.209 6.249 ( -6.028 3.890 -3.603) 8.027 6.447 ( 9.617 5.426 -1.808) 11.189 6.520 ( 6.843 -0.085 -3.202) 7.556 6.722 ( -1.480 1.198 -1.944) 2.722 6.782 ( -0.618 0.083 1.872) 1.973 6.848 ( -0.492 1.178 0.774) 1.493 6.896 ( -5.734 1.724 3.175) 6.777 7.113 ( -6.052 5.794 4.181) 9.364 7.231 ( -8.990 6.892 10.746) 15.614 7.454 ( -1.747 1.356 -7.176) 7.509 7.510 ( -1.805 -5.308 3.454) 6.585 7.603 ( 3.884 -9.107 5.598) 11.374 7.751 ( -2.818 -0.322 -8.755) 9.203 7.928 ( 0.708 2.331 4.556) 5.166 8.082 ( 5.571 3.124 -3.463) 7.265 8.362 ( 7.467 4.977 -1.831) 9.159 8.528 ( -12.490 2.080 6.646) 14.300 8.612 ( 4.646 1.516 -8.693) 9.972 8.851 ( 7.299 0.576 -0.976) 7.387 8.980 ( -11.785 -7.961 -7.518) 16.087 9.210 ( 2.805 0.660 -0.390) 2.908 9.372 ( -21.793 8.222 -7.465) 24.459 9.416 ( -6.699 -1.885 -2.776) 7.493 9.544 ( 4.739 -1.914 -15.234) 16.069 9.740 ( -2.978 4.438 -7.193) 8.962 9.855 ( -9.846 5.304 -3.180) 11.627 10.356 ( 6.657 -5.887 3.778) 9.656 10.484 ( 2.690 -1.102 5.909) 6.585 10.793 ( -0.290 -14.300 0.604) 14.316 11.046 ( -5.854 -12.612 1.361) 13.971 11.514 ( 5.688 -5.660 2.842) 8.513 11.557 ( 0.922 -2.334 7.167) 7.594 12.123 ( 0.511 17.354 1.912) 17.466 12.480 ( -7.022 6.906 8.017) 12.699 12.646 ( -1.655 6.412 6.491) 9.273 12.755 ( 3.989 4.032 2.312) 6.125 12.947 ( -1.113 4.930 -4.666) 6.879 13.163 ( -6.359 -1.482 -3.191) 7.267 13.918 ( -0.422 -2.531 17.801) 17.985 14.075 ( 3.526 -5.941 9.171) 11.482 14.383 ( -0.025 -3.070 4.223) 5.222 14.439 ( 1.098 -0.175 1.225) 1.655 14.607 ( 6.280 3.896 -5.605) 9.275 15.016 ( 3.186 -2.560 7.013) 8.117 15.127 ( 7.713 -1.813 6.620) 10.325 15.485 ( -1.380 -3.304 8.103) 8.859 15.541 ( -6.533 7.013 -9.294) 13.351 15.910 ( 15.480 3.564 6.449) 17.144 16.175 ( -3.037 -5.818 -4.730) 8.090 16.417 ( 7.028 -8.850 4.748) 12.258 16.986 ( 4.990 10.542 -8.982) 14.721 17.178 ( 4.746 3.183 -7.875) 9.730 17.987 ( -25.145 0.160 -56.623) 61.955 18.098 ( -32.621 0.087 -52.217) 61.570 20.806 ( 4.698 0.286 4.855) 6.762 20.904 ( -0.650 4.897 4.938) 6.985 21.202 ( 6.427 -10.854 0.148) 12.615 21.509 ( -4.317 -7.803 5.850) 10.665 21.866 ( 4.621 11.865 -3.067) 13.098 21.966 ( 3.010 5.999 -5.393) 8.610 22.276 ( 1.649 -5.348 7.033) 8.988 22.562 ( -2.608 -10.261 0.602) 10.604 22.826 ( 4.724 9.005 -2.410) 10.451 22.994 ( 1.477 9.929 -1.034) 10.092 23.780 ( -2.280 -0.254 0.383) 2.326 23.874 ( -4.414 -0.542 -3.991) 5.976 24.266 ( 6.621 1.975 1.525) 7.075 24.501 ( -8.308 -2.058 12.065) 14.792 26.516 ( -8.872 -4.560 6.065) 11.674 26.677 ( 0.462 -10.130 -6.838) 12.230 27.305 ( 1.499 5.834 6.502) 8.864 27.527 ( 2.262 -0.670 0.836) 2.503 ======================= Grid point 202 (106/128) ======================= q-point: ( 0.44 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -9.825 -6.413 -35.265) 37.166 1.614 ( -3.091 -8.841 -22.650) 24.509 1.793 ( 0.491 -3.021 2.534) 3.974 2.250 ( -4.744 -3.803 -7.630) 9.756 2.394 ( 0.871 -3.777 -1.510) 4.160 2.472 ( 4.302 -3.684 2.426) 6.161 2.815 ( 0.124 0.110 8.614) 8.616 2.847 ( 5.524 3.146 -1.653) 6.569 2.948 ( 5.269 -5.934 2.579) 8.344 3.002 ( -8.606 3.008 1.713) 9.276 3.420 ( 5.762 -6.111 -0.346) 8.406 3.564 ( -5.909 3.777 -4.463) 8.313 3.658 ( -4.310 -0.362 1.259) 4.505 3.709 ( -4.691 -10.201 -3.283) 11.698 4.662 ( 0.612 -6.908 1.661) 7.131 4.703 ( 0.960 -4.509 -2.245) 5.127 4.900 ( -2.172 -0.589 3.314) 4.006 5.031 ( 4.213 -8.280 -4.387) 10.274 5.217 ( -8.160 1.114 -11.169) 13.877 5.275 ( -6.190 -3.747 -15.156) 16.794 5.674 ( 6.163 -2.695 -5.061) 8.418 5.817 ( -9.397 -10.628 -1.450) 14.260 5.984 ( 0.466 -5.566 -3.967) 6.851 6.013 ( -3.669 2.181 -4.243) 6.018 6.269 ( 12.223 11.224 5.249) 17.405 6.538 ( -8.953 -0.580 5.116) 10.328 6.567 ( 1.999 6.353 -6.894) 9.586 6.642 ( 3.553 2.696 3.160) 5.466 6.652 ( -2.019 2.021 -1.547) 3.248 6.788 ( -5.983 3.131 1.023) 6.830 6.971 ( -1.347 7.619 0.228) 7.740 7.025 ( -4.969 8.629 1.447) 10.062 7.399 ( 8.726 0.377 0.073) 8.734 7.430 ( 10.732 1.975 0.628) 10.930 7.523 ( 5.006 -0.510 1.357) 5.212 7.673 ( 2.023 -4.312 4.027) 6.237 7.716 ( -2.965 -5.990 2.175) 7.028 7.981 ( -5.173 -2.436 1.394) 5.885 8.090 ( 2.899 3.756 -0.496) 4.770 8.390 ( -5.928 -4.541 -1.612) 7.640 8.471 ( 1.407 7.754 3.278) 8.535 8.614 ( 4.650 2.250 -9.995) 11.250 8.715 ( -3.680 -0.439 -9.412) 10.115 8.828 ( -15.518 2.391 -3.651) 16.119 9.070 ( 2.610 4.048 0.293) 4.825 9.208 ( -5.806 -1.172 3.166) 6.716 9.371 ( 2.913 -5.575 -4.354) 7.650 9.455 ( -0.592 -2.635 -12.535) 12.822 9.681 ( 1.854 7.038 -5.489) 9.116 9.689 ( -4.335 7.186 -3.202) 8.982 10.450 ( -2.362 -7.655 8.927) 11.995 10.577 ( 6.949 -1.816 -3.391) 7.943 10.840 ( 1.831 -15.647 4.648) 16.425 10.955 ( -5.579 -15.115 1.036) 16.146 11.610 ( -1.032 -1.909 5.315) 5.741 11.620 ( 3.818 -3.997 1.489) 5.725 12.178 ( 4.535 15.102 2.187) 15.920 12.345 ( -10.407 12.223 1.522) 16.125 12.714 ( 0.092 6.689 7.011) 9.691 12.837 ( 4.078 5.558 -1.971) 7.170 12.935 ( 1.404 2.327 1.861) 3.294 13.074 ( -2.105 0.112 -2.363) 3.166 14.008 ( -7.090 1.388 19.146) 20.464 14.203 ( 4.682 -8.746 -0.069) 9.921 14.326 ( -4.884 -5.344 1.997) 7.510 14.533 ( 4.248 1.421 -5.056) 6.755 14.747 ( 12.258 10.139 7.243) 17.479 15.163 ( 6.054 -6.733 9.498) 13.123 15.282 ( 0.523 -1.292 -5.645) 5.815 15.387 ( -1.327 6.464 5.412) 8.535 15.573 ( 1.465 -5.506 8.006) 9.827 15.971 ( -7.624 -5.674 -10.836) 14.413 16.187 ( 9.680 0.335 6.861) 11.870 16.593 ( 3.349 -9.621 2.445) 10.477 16.918 ( -5.320 7.940 -20.800) 22.891 17.025 ( -8.663 6.282 -22.048) 24.508 17.157 ( -16.439 -0.726 -26.413) 31.119 17.366 ( -6.827 3.598 -24.865) 26.035 20.883 ( 2.378 1.984 1.399) 3.398 20.924 ( -0.202 4.155 0.493) 4.189 21.330 ( 6.640 -9.454 2.991) 11.934 21.478 ( -4.130 -9.505 1.833) 10.525 21.881 ( -0.000 11.675 -0.413) 11.682 21.972 ( 3.761 8.016 -6.645) 11.071 22.370 ( 2.870 -7.136 4.725) 9.027 22.504 ( -4.094 -11.090 -0.104) 11.822 22.897 ( 3.716 10.826 0.618) 11.462 22.988 ( -0.528 11.893 -2.012) 12.074 23.753 ( -1.399 -0.343 0.799) 1.647 23.796 ( -1.670 -0.087 -2.023) 2.625 24.413 ( 9.100 -0.786 0.429) 9.144 24.444 ( -8.798 -1.238 8.377) 12.211 26.447 ( -7.190 -5.013 8.921) 12.507 26.638 ( 2.612 -9.451 -7.342) 12.249 27.385 ( 1.414 4.348 5.701) 7.307 27.539 ( 0.431 0.333 -2.644) 2.699 ======================= Grid point 203 (107/128) ======================= q-point: (-0.44 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -12.340 -4.663 -7.265) 15.060 1.280 ( 2.014 -4.585 -5.983) 7.802 1.915 ( -12.846 -6.389 2.051) 14.493 2.083 ( 3.103 -2.474 -1.520) 4.250 2.443 ( -0.402 -5.974 1.647) 6.210 2.498 ( 1.321 -3.463 -3.219) 4.909 2.840 ( -5.088 6.824 1.064) 8.578 2.913 ( -0.574 -6.090 4.252) 7.449 2.980 ( 6.606 2.457 -3.792) 8.003 3.055 ( 9.585 -1.819 -4.135) 10.596 3.372 ( -8.813 -3.100 2.899) 9.782 3.508 ( 2.721 -1.999 -0.990) 3.519 3.608 ( -5.277 -5.215 6.219) 9.681 3.664 ( -1.891 -4.006 2.099) 4.902 4.585 ( -8.082 -6.541 1.667) 10.530 4.740 ( 5.259 -5.896 -3.360) 8.585 4.884 ( -10.689 4.329 2.319) 11.763 4.988 ( 0.011 -2.538 6.345) 6.833 5.130 ( 6.128 -9.873 -9.693) 15.133 5.165 ( 8.636 -1.905 -6.354) 10.889 5.610 ( -10.577 -4.691 2.509) 11.839 5.738 ( -2.735 -17.668 3.011) 18.130 5.922 ( -1.989 1.803 0.752) 2.788 5.959 ( -4.599 -1.488 3.722) 6.101 6.370 ( -11.500 13.211 -4.412) 18.063 6.417 ( -3.300 3.647 5.229) 7.179 6.570 ( 2.339 7.736 4.437) 9.219 6.624 ( -5.433 0.241 0.412) 5.454 6.716 ( 5.252 1.589 -2.668) 6.101 6.772 ( 8.351 1.556 1.723) 8.668 7.016 ( 4.306 5.660 -3.079) 7.749 7.067 ( 9.123 7.369 -2.407) 11.971 7.392 ( -5.973 2.917 -0.581) 6.672 7.436 ( -0.716 1.658 -2.209) 2.853 7.579 ( -9.102 -2.717 -0.556) 9.515 7.735 ( 0.772 -0.352 1.554) 1.771 7.783 ( -0.166 -3.486 -4.601) 5.775 7.973 ( 20.076 1.019 1.092) 20.131 8.167 ( -10.798 -2.958 -5.537) 12.490 8.246 ( 3.562 -1.360 8.726) 9.523 8.477 ( -7.359 2.887 3.180) 8.520 8.521 ( -7.386 0.757 -0.089) 7.425 8.612 ( 5.837 6.847 0.146) 8.999 8.862 ( 17.702 1.826 -7.747) 19.409 9.076 ( -9.213 0.394 1.356) 9.321 9.204 ( 5.314 0.814 2.709) 6.020 9.325 ( -1.300 -4.158 -3.542) 5.615 9.412 ( 4.894 -5.820 -6.234) 9.833 9.611 ( -0.416 5.593 -1.613) 5.836 9.732 ( 7.494 7.961 -4.795) 11.939 10.430 ( -8.464 -6.375 6.856) 12.620 10.648 ( 6.067 -5.143 -5.634) 9.746 10.882 ( -3.671 -11.749 -0.359) 12.314 10.915 ( 1.337 -20.382 5.411) 21.131 11.605 ( -3.566 -2.066 2.571) 4.857 11.675 ( 1.618 -3.254 -0.366) 3.652 12.227 ( -1.796 20.679 -0.651) 20.767 12.338 ( 11.539 10.483 0.682) 15.604 12.752 ( -2.229 7.419 5.088) 9.268 12.846 ( 1.307 3.735 -5.045) 6.412 12.997 ( 1.231 1.099 1.755) 2.409 13.035 ( 1.585 1.277 -2.974) 3.604 14.054 ( -6.841 0.908 16.972) 18.322 14.201 ( -7.018 -4.117 6.576) 10.462 14.313 ( 3.139 -2.077 -3.091) 4.870 14.534 ( 6.383 -0.759 -11.470) 13.148 15.042 ( 8.936 5.848 10.821) 15.203 15.071 ( -7.242 5.797 -17.139) 19.488 15.368 ( -4.645 -7.132 -3.556) 9.224 15.400 ( 7.393 -7.974 8.056) 13.533 15.729 ( 4.647 -1.471 12.817) 13.713 15.786 ( -4.885 0.407 -9.514) 10.703 16.369 ( -5.926 -5.037 -8.813) 11.754 16.374 ( 0.424 -5.225 0.197) 5.246 16.656 ( -7.328 3.813 -1.512) 8.398 16.738 ( 1.653 1.983 -1.159) 2.830 17.085 ( 0.297 4.807 7.019) 8.513 17.153 ( -5.177 4.605 -11.370) 13.315 20.906 ( -0.341 2.162 -0.890) 2.363 20.940 ( 3.430 4.034 -1.310) 5.454 21.393 ( -5.692 -11.007 -2.367) 12.616 21.462 ( 5.616 -8.279 2.751) 10.375 21.869 ( -2.292 11.465 1.806) 11.831 21.964 ( 2.814 8.515 -7.006) 11.380 22.431 ( -3.515 -10.574 -0.163) 11.144 22.457 ( 2.300 -8.029 3.451) 9.037 22.903 ( -4.526 13.283 0.227) 14.035 22.980 ( 2.307 10.713 -1.521) 11.063 23.753 ( 0.202 -0.178 1.752) 1.773 23.775 ( 0.679 0.155 -1.076) 1.281 24.350 ( -8.766 0.232 5.454) 10.327 24.586 ( 12.041 -3.086 -3.823) 13.005 26.441 ( -4.182 -6.091 10.819) 13.101 26.634 ( 5.243 -8.350 -7.798) 12.571 27.452 ( 0.575 2.409 4.405) 5.054 27.507 ( 0.464 2.207 -4.768) 5.274 ======================= Grid point 204 (108/128) ======================= q-point: (-0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 2.069 -3.831 31.716) 32.014 1.450 ( 0.156 -10.266 11.732) 15.590 1.741 ( 1.988 0.056 13.745) 13.888 2.140 ( -4.046 13.663 9.863) 17.330 2.314 ( -9.249 -1.271 -2.535) 9.675 2.480 ( -1.211 -7.050 -5.636) 9.107 2.809 ( 3.099 -1.135 -1.254) 3.531 2.900 ( -4.454 -7.681 -2.264) 9.163 3.015 ( 6.228 -0.511 -8.666) 10.684 3.204 ( 8.993 -1.275 1.094) 9.149 3.286 ( -3.374 -0.376 -0.854) 3.501 3.513 ( -5.696 5.949 6.255) 10.342 3.592 ( -7.771 -0.173 9.511) 12.284 3.715 ( 5.320 -11.407 6.304) 14.077 4.531 ( -4.483 -2.319 9.140) 10.441 4.736 ( -5.882 6.159 9.750) 12.946 4.839 ( 5.604 -10.104 -3.929) 12.203 5.063 ( -0.284 -6.154 1.192) 6.275 5.171 ( 7.719 -8.821 2.015) 11.893 5.339 ( 5.384 -2.401 3.587) 6.901 5.513 ( -2.908 -2.487 4.258) 5.725 5.677 ( -10.806 -16.835 10.486) 22.586 5.860 ( -9.939 -3.367 2.245) 10.731 5.945 ( -0.786 3.417 6.650) 7.518 6.192 ( -2.029 8.388 -1.267) 8.722 6.401 ( -5.831 6.054 2.314) 8.718 6.488 ( -7.138 5.177 0.588) 8.837 6.661 ( 4.070 3.636 3.534) 6.502 6.808 ( -11.813 -1.272 0.650) 11.899 6.916 ( 16.574 0.919 -4.182) 17.118 6.953 ( 1.959 -1.031 -0.850) 2.372 7.162 ( 1.960 4.958 -0.567) 5.361 7.268 ( -5.768 7.627 2.803) 9.965 7.464 ( 11.852 6.679 -8.114) 15.841 7.570 ( 1.606 -6.385 -2.254) 6.959 7.727 ( 3.371 -2.012 -2.926) 4.896 7.768 ( 0.201 -3.081 -5.214) 6.060 7.958 ( -7.579 5.366 2.276) 9.562 8.085 ( -3.352 1.537 -5.101) 6.295 8.351 ( -5.126 7.929 -1.038) 9.498 8.452 ( 8.710 -5.049 5.231) 11.345 8.600 ( 9.317 0.093 3.472) 9.944 8.739 ( 2.273 1.716 5.189) 5.919 8.912 ( -1.744 -2.773 0.119) 3.278 9.103 ( 2.247 2.624 7.257) 8.038 9.224 ( -2.341 -0.370 2.497) 3.443 9.442 ( 17.336 0.377 -3.060) 17.608 9.448 ( 5.688 -7.611 -4.012) 10.314 9.662 ( 8.114 4.230 -1.028) 9.208 9.835 ( 7.958 7.246 -1.360) 10.849 10.328 ( -8.609 -5.777 3.780) 11.035 10.663 ( 2.322 -3.008 -5.519) 6.700 10.778 ( -8.275 -14.659 -0.930) 16.859 11.013 ( 4.614 -19.070 4.676) 20.169 11.542 ( -5.136 -3.389 -0.146) 6.155 11.663 ( -1.610 -3.016 -2.286) 4.113 12.237 ( 5.036 27.038 -7.645) 28.545 12.550 ( 10.686 6.392 -0.068) 12.452 12.741 ( -2.288 9.228 2.411) 9.808 12.798 ( 0.216 4.021 -6.685) 7.804 12.974 ( 0.263 -1.322 -4.708) 4.897 13.101 ( 4.957 -0.066 2.230) 5.436 14.055 ( -5.814 -6.349 3.711) 9.374 14.197 ( -3.897 1.058 16.271) 16.765 14.323 ( 2.908 1.794 -6.198) 7.077 14.553 ( 5.085 -3.833 -5.913) 8.690 14.743 ( -8.009 7.434 -21.412) 24.039 15.144 ( -5.945 -5.889 -4.086) 9.312 15.266 ( 2.320 -0.230 -0.663) 2.424 15.469 ( -3.630 6.065 -10.113) 12.339 15.627 ( 0.160 -7.155 -2.782) 7.678 15.945 ( 6.416 -4.935 13.008) 15.321 16.086 ( -12.051 1.074 -8.287) 14.664 16.513 ( -7.007 -8.003 1.558) 10.751 16.722 ( 5.075 4.055 24.058) 24.920 16.933 ( -0.973 7.232 5.852) 9.354 17.126 ( 16.633 -0.432 25.353) 30.326 17.185 ( 4.300 2.648 20.543) 21.154 20.882 ( -0.650 -0.032 -3.091) 3.159 20.984 ( 3.766 5.497 -2.951) 7.287 21.250 ( -7.345 -12.267 -4.143) 14.886 21.564 ( 4.382 -7.360 1.180) 8.647 21.830 ( -4.053 11.756 1.212) 12.494 21.943 ( 1.058 6.481 -4.709) 8.081 22.375 ( -1.648 -7.962 -1.571) 8.281 22.522 ( 0.832 -8.248 3.726) 9.089 22.804 ( -5.755 13.038 -0.847) 14.277 22.991 ( -0.140 9.437 -0.720) 9.466 23.791 ( 2.073 -0.295 0.098) 2.097 23.797 ( 2.191 0.293 2.475) 3.318 24.255 ( -6.515 2.541 2.410) 7.396 24.730 ( 11.261 -4.603 -8.730) 14.973 26.496 ( -1.307 -7.529 10.442) 12.940 26.670 ( 7.187 -7.307 -7.558) 12.735 27.442 ( -0.445 3.343 -4.895) 5.944 27.508 ( 0.023 1.824 1.293) 2.236 ======================= Grid point 205 (109/128) ======================= q-point: (-0.22 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 6.234 0.903 6.380) 8.966 1.664 ( -0.651 -5.748 29.950) 30.503 1.955 ( -3.414 4.217 3.989) 6.735 2.190 ( -3.348 9.995 22.904) 25.213 2.348 ( 4.066 -4.210 5.205) 7.833 2.428 ( 7.599 -3.243 8.958) 12.186 2.711 ( -10.483 -7.560 -1.613) 13.025 2.925 ( 5.137 -0.714 -7.714) 9.295 3.021 ( 1.478 2.156 6.611) 7.109 3.264 ( 8.143 -3.913 -5.322) 10.486 3.380 ( 9.139 0.239 -3.036) 9.633 3.460 ( -6.933 7.240 7.546) 12.547 3.539 ( -10.671 3.894 17.069) 20.504 3.857 ( 3.472 -5.748 4.757) 8.229 4.497 ( -5.114 -0.400 1.285) 5.288 4.780 ( -0.094 -8.260 -3.907) 9.138 4.963 ( 8.633 -6.649 11.332) 15.721 5.053 ( -3.439 -2.947 4.155) 6.146 5.316 ( 2.628 2.644 1.189) 3.913 5.338 ( -0.710 -3.005 3.244) 4.479 5.562 ( -9.752 -10.865 12.094) 18.958 5.613 ( 1.768 -1.315 5.061) 5.519 5.721 ( -8.195 -1.833 3.339) 9.037 6.037 ( 1.534 -1.973 3.443) 4.255 6.146 ( -4.334 3.047 4.099) 6.698 6.332 ( -3.336 -2.299 4.498) 6.053 6.432 ( -0.269 0.241 0.985) 1.049 6.576 ( -4.495 -2.953 2.007) 5.741 6.789 ( -0.297 9.956 -5.695) 11.474 6.913 ( -4.111 -7.878 -0.775) 8.920 7.134 ( 6.343 -2.387 0.323) 6.785 7.232 ( 6.336 10.246 -2.744) 12.355 7.318 ( -0.214 4.777 5.362) 7.185 7.449 ( -2.136 -0.910 1.891) 2.995 7.569 ( 5.079 5.065 -5.904) 9.290 7.683 ( 3.091 -3.552 -5.935) 7.576 7.856 ( 2.139 -3.330 -3.839) 5.514 7.897 ( -0.287 3.849 6.343) 7.425 8.063 ( 6.389 7.671 -1.781) 10.141 8.251 ( -3.708 8.244 -4.030) 9.897 8.536 ( -3.768 -0.731 3.959) 5.515 8.712 ( 3.801 -3.610 0.509) 5.267 8.812 ( 8.155 0.424 -3.345) 8.825 9.006 ( 1.076 -6.421 7.538) 9.960 9.151 ( 2.428 3.952 5.555) 7.237 9.209 ( -5.947 0.659 7.991) 9.983 9.529 ( 6.581 -6.177 0.088) 9.026 9.775 ( 19.194 2.897 -2.495) 19.571 9.858 ( 14.658 -1.802 2.750) 15.023 9.971 ( 8.394 6.448 1.173) 10.650 10.219 ( -6.615 -6.215 0.657) 9.101 10.531 ( -8.340 -9.335 -7.908) 14.806 10.747 ( 1.029 -5.929 5.953) 8.465 11.108 ( 1.997 -11.987 1.096) 12.202 11.428 ( -7.191 -6.117 -1.897) 9.629 11.587 ( -3.864 -2.585 -3.388) 5.752 12.190 ( -1.024 26.307 -9.594) 28.021 12.608 ( -0.704 6.158 -3.716) 7.227 12.676 ( -3.406 6.662 -4.362) 8.661 12.850 ( 8.761 7.163 -3.036) 11.717 12.945 ( 0.420 -0.468 -1.421) 1.554 13.255 ( 10.102 -3.213 4.276) 11.430 13.942 ( -6.992 -9.633 -5.108) 12.953 14.238 ( 0.883 -0.100 -7.092) 7.148 14.359 ( -0.016 4.156 9.277) 10.165 14.447 ( -4.105 6.917 -16.690) 18.527 14.602 ( 4.977 -8.367 -4.117) 10.570 15.017 ( -6.563 -2.799 -3.011) 7.745 15.074 ( -8.523 -4.277 -11.406) 14.868 15.562 ( -0.820 -2.416 -1.111) 2.783 15.579 ( 6.569 7.200 4.554) 10.758 15.736 ( -12.720 5.559 -9.961) 17.086 16.182 ( -0.082 -4.500 -1.339) 4.696 16.305 ( -6.089 -9.604 4.034) 12.066 16.761 ( -8.193 11.363 9.392) 16.866 16.997 ( -5.324 2.367 7.112) 9.194 17.726 ( 22.766 2.011 52.470) 57.231 18.127 ( 45.287 -7.087 52.409) 69.626 20.800 ( -4.777 -2.348 -6.673) 8.536 21.005 ( 2.618 6.301 -4.732) 8.303 21.098 ( -5.544 -12.397 -3.059) 13.921 21.634 ( 3.398 -6.887 -0.022) 7.680 21.750 ( -6.393 11.717 -0.263) 13.350 21.912 ( -0.865 3.249 -2.779) 4.362 22.354 ( 1.620 -3.720 -2.752) 4.903 22.528 ( -4.121 -3.785 2.429) 6.099 22.736 ( -1.210 8.026 0.870) 8.163 22.964 ( -1.897 6.982 -0.971) 7.300 23.829 ( 2.814 -0.407 -0.437) 2.876 23.882 ( 3.292 0.730 4.875) 5.928 24.181 ( -3.793 4.378 0.711) 5.836 24.789 ( 7.074 -5.171 -13.163) 15.813 26.572 ( -0.394 -7.608 8.949) 11.753 26.734 ( 7.766 -6.215 -6.161) 11.700 27.378 ( -0.562 4.186 -7.442) 8.557 27.485 ( -3.732 0.413 -0.199) 3.760 ======================= Grid point 206 (110/128) ======================= q-point: (-0.11 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 14.402 4.175 3.553) 15.410 1.771 ( -9.895 0.936 18.370) 20.886 1.935 ( 2.485 5.775 1.983) 6.592 2.201 ( -8.893 -2.009 4.196) 10.037 2.457 ( 4.008 -0.933 5.800) 7.111 2.509 ( -11.313 -5.769 2.359) 12.916 2.803 ( 8.402 -2.439 5.856) 10.528 2.854 ( 2.499 6.553 -2.866) 7.577 3.221 ( -3.443 -1.873 18.031) 18.452 3.411 ( 9.855 1.212 -9.879) 14.007 3.453 ( -4.556 5.848 26.585) 27.599 3.481 ( 7.729 -1.780 13.234) 15.429 3.638 ( 6.049 4.662 7.976) 11.042 3.917 ( 1.812 -1.385 -0.074) 2.282 4.397 ( -3.939 0.456 -6.184) 7.346 4.645 ( -6.577 -10.852 -11.979) 17.450 5.030 ( -2.037 -1.898 5.790) 6.425 5.184 ( 6.908 0.485 -0.830) 6.975 5.283 ( -5.592 0.766 3.783) 6.794 5.432 ( 4.352 -6.741 -1.609) 8.183 5.528 ( -5.709 -8.902 12.736) 16.554 5.585 ( -3.056 4.258 2.742) 5.915 5.807 ( 12.789 -3.470 0.524) 13.262 6.029 ( 0.495 -5.477 2.220) 5.931 6.192 ( -3.500 -2.718 6.245) 7.657 6.344 ( -1.169 -2.162 6.820) 7.250 6.506 ( 3.768 -11.913 4.021) 13.126 6.546 ( -2.094 3.998 2.304) 5.067 6.708 ( -0.067 6.787 -8.410) 10.808 6.827 ( -2.741 -7.235 -3.764) 8.604 7.022 ( -13.167 -0.214 -3.696) 13.677 7.160 ( -4.183 4.929 -4.973) 8.156 7.334 ( 2.011 3.805 4.061) 5.917 7.512 ( -2.849 3.638 -3.699) 5.919 7.660 ( 10.342 4.825 -1.970) 11.581 7.717 ( 4.034 -2.047 -4.904) 6.672 7.852 ( -0.228 1.838 3.159) 3.662 8.056 ( 10.340 0.951 5.201) 11.613 8.120 ( -5.483 6.117 -2.405) 8.560 8.168 ( -0.651 6.361 4.331) 7.723 8.513 ( -0.183 2.999 4.385) 5.315 8.789 ( -5.388 0.586 0.760) 5.473 8.888 ( 16.816 -3.323 -9.844) 19.767 9.015 ( -8.991 -5.701 7.645) 13.107 9.244 ( 3.294 0.080 10.585) 11.086 9.324 ( 10.402 3.270 4.714) 11.879 9.665 ( 6.745 -4.637 4.398) 9.292 9.911 ( 1.208 -3.581 -2.956) 4.798 10.042 ( -6.201 -5.110 1.843) 8.244 10.136 ( 3.147 -2.737 -4.674) 6.264 10.177 ( 12.569 4.013 -0.327) 13.198 10.449 ( 7.471 -2.304 3.138) 8.424 10.788 ( -2.447 -3.555 -0.856) 4.400 11.074 ( -5.692 -0.402 1.166) 5.824 11.289 ( -7.658 -10.419 0.899) 12.962 11.493 ( -3.219 -1.890 -3.192) 4.912 12.097 ( -2.779 18.489 0.131) 18.698 12.493 ( -2.800 8.309 -11.822) 14.719 12.632 ( -0.967 4.861 2.131) 5.395 12.892 ( 2.627 1.262 -7.980) 8.496 13.012 ( 3.662 5.486 6.472) 9.240 13.508 ( 11.921 -5.604 5.877) 14.424 13.740 ( -4.558 -7.294 -12.084) 14.832 14.154 ( -5.064 4.294 -2.657) 7.151 14.298 ( 3.598 0.599 -15.526) 15.949 14.398 ( -0.992 -0.657 -0.088) 1.193 14.666 ( 5.686 -10.273 -2.326) 11.970 14.746 ( -16.664 -8.338 -1.282) 18.677 14.990 ( 0.495 2.043 -4.048) 4.561 15.256 ( -16.389 8.525 -8.371) 20.282 15.597 ( 0.609 -3.075 -5.517) 6.345 15.803 ( -4.836 2.929 -2.362) 6.127 16.011 ( 8.041 2.838 4.149) 9.483 16.459 ( 2.477 -4.340 6.338) 8.071 16.722 ( -3.646 8.404 7.953) 12.132 16.930 ( -7.087 2.485 3.474) 8.275 18.660 ( 25.516 2.357 56.661) 62.186 19.413 ( 50.313 -13.226 40.861) 66.150 20.593 ( -9.406 -2.426 -11.808) 15.291 20.920 ( -8.453 -6.480 -2.917) 11.043 21.079 ( 7.131 1.305 -5.238) 8.943 21.580 ( -10.798 6.056 -4.690) 13.238 21.691 ( 0.746 -0.985 2.904) 3.156 21.864 ( -1.090 -1.170 -3.635) 3.971 22.371 ( 0.035 2.022 1.012) 2.261 22.460 ( -1.819 -0.099 -2.186) 2.845 22.764 ( 1.668 3.018 2.385) 4.193 22.918 ( -1.857 4.109 -1.715) 4.824 23.877 ( 2.907 0.269 0.235) 2.929 23.967 ( 1.038 3.212 2.975) 4.499 24.164 ( 0.663 2.589 3.712) 4.574 24.720 ( 0.195 -4.691 -15.312) 16.016 26.646 ( -0.911 -4.683 10.012) 11.091 26.817 ( 7.243 -4.831 -3.700) 9.460 27.289 ( -0.928 1.853 -8.392) 8.644 27.377 ( -7.317 -0.929 -2.396) 7.755 ======================= Grid point 207 (111/128) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -4.765 -3.964 6.291) 8.831 1.797 ( 1.166 -8.947 -4.430) 10.051 2.090 ( -2.463 6.457 12.345) 14.148 2.254 ( -4.231 -1.779 -1.520) 4.835 2.415 ( 2.028 12.198 14.737) 19.238 2.697 ( 4.826 4.104 -7.475) 9.798 2.835 ( -0.452 6.592 9.892) 11.896 3.015 ( 0.323 11.408 -5.736) 12.773 3.199 ( -8.852 0.736 10.036) 13.402 3.418 ( 4.439 -2.459 -5.898) 7.781 3.614 ( 4.661 -17.132 17.556) 24.969 3.750 ( -3.984 -5.125 7.201) 9.695 3.887 ( 5.575 6.032 13.333) 15.660 4.033 ( 6.511 3.394 1.131) 7.429 4.195 ( -7.897 -2.463 -12.373) 14.884 4.312 ( 6.704 -0.727 -15.876) 17.249 5.075 ( -0.463 -2.062 8.321) 8.585 5.130 ( -15.825 -5.910 11.228) 20.283 5.230 ( 4.136 -1.662 -5.306) 6.930 5.353 ( 14.929 -7.802 -8.418) 18.831 5.558 ( 0.041 7.264 2.533) 7.693 5.609 ( 1.240 2.326 -0.756) 2.742 5.839 ( -7.026 -7.002 4.964) 11.092 5.942 ( 10.608 -6.633 -4.241) 13.210 6.239 ( 10.832 -0.760 5.827) 12.324 6.317 ( -4.251 -2.884 2.946) 5.921 6.383 ( -0.783 -4.665 1.240) 4.890 6.431 ( 0.033 -8.947 -2.032) 9.175 6.668 ( 2.595 0.574 -1.871) 3.250 6.731 ( -2.721 -0.463 -5.313) 5.987 7.008 ( 1.276 2.296 0.332) 2.647 7.037 ( -5.890 -0.739 -2.101) 6.297 7.468 ( -2.668 7.835 3.265) 8.897 7.516 ( -2.510 5.667 -0.886) 6.261 7.681 ( -8.110 -0.831 3.855) 9.018 7.761 ( 4.593 -3.529 -2.750) 6.412 8.042 ( -6.518 7.293 0.896) 9.823 8.063 ( 0.401 8.314 0.003) 8.323 8.234 ( -0.496 2.925 4.627) 5.496 8.316 ( 5.751 2.160 -2.423) 6.604 8.632 ( -2.036 -1.942 6.037) 6.661 8.700 ( -5.542 -5.274 6.341) 9.936 8.819 ( -2.898 4.661 -1.177) 5.614 9.016 ( 16.354 -4.992 -12.038) 20.912 9.403 ( 2.374 0.967 7.818) 8.227 9.521 ( 1.358 -3.526 -1.404) 4.031 9.680 ( -3.483 -2.552 4.330) 6.115 9.720 ( 2.020 -4.869 0.748) 5.324 9.989 ( 7.980 4.386 2.218) 9.372 10.078 ( -4.319 2.205 -4.991) 6.959 10.506 ( 8.750 -1.160 5.981) 10.662 10.529 ( 3.915 -6.703 5.039) 9.255 10.798 ( -8.835 -0.961 -4.749) 10.077 10.881 ( -0.685 13.500 -11.664) 17.854 11.107 ( -3.018 -9.493 12.663) 16.111 11.335 ( 0.715 -8.271 -6.666) 10.647 12.341 ( -2.602 11.736 5.962) 13.418 12.527 ( -2.855 8.595 -9.949) 13.454 12.673 ( -2.070 0.091 3.364) 3.951 12.840 ( -2.474 -0.536 -11.013) 11.300 13.265 ( 5.432 7.111 10.731) 13.972 13.473 ( -5.902 5.949 -7.051) 10.952 13.688 ( 9.767 -11.425 9.326) 17.689 13.924 ( -12.428 -11.271 -11.132) 20.135 14.209 ( -6.228 4.387 -3.698) 8.469 14.277 ( 7.029 1.876 -8.792) 11.412 14.499 ( -3.339 -7.348 2.781) 8.537 14.553 ( 5.983 -10.332 -2.144) 12.130 15.055 ( -6.998 8.325 6.216) 12.527 15.224 ( 1.841 8.151 -6.647) 10.678 15.463 ( -5.978 -3.145 3.998) 7.849 15.636 ( 3.309 -4.111 -9.883) 11.204 16.399 ( 4.661 5.127 5.830) 9.055 16.478 ( 0.689 2.140 -1.578) 2.747 16.867 ( -0.615 3.850 5.098) 6.418 16.921 ( 2.453 1.905 0.131) 3.109 19.606 ( 21.165 5.656 42.896) 48.166 20.022 ( 17.276 -16.422 25.080) 34.600 20.341 ( -2.916 2.549 -14.936) 15.430 20.543 ( -8.705 -7.539 -13.390) 17.661 21.296 ( 9.245 3.226 -2.727) 10.165 21.345 ( -11.866 1.417 -7.214) 13.959 21.695 ( -4.929 -0.022 2.846) 5.692 21.759 ( 2.827 -3.762 -3.212) 5.698 22.409 ( -5.677 3.745 3.182) 7.508 22.471 ( 3.282 -0.354 -1.660) 3.695 22.882 ( 2.468 3.216 0.280) 4.063 22.914 ( -0.327 1.409 -2.315) 2.729 23.989 ( 0.922 4.997 3.922) 6.419 24.066 ( 1.684 4.606 -2.016) 5.303 24.256 ( 0.629 -0.204 5.976) 6.012 24.442 ( -5.007 -6.152 -10.297) 12.998 26.700 ( -0.185 0.050 7.875) 7.877 26.806 ( 3.920 -4.829 -1.780) 6.469 27.182 ( -5.463 -1.585 -3.226) 6.539 27.194 ( -1.163 -2.052 -4.543) 5.118 ======================= Grid point 208 (112/128) ======================= q-point: ( 0.11 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -7.141 -0.648 5.363) 8.954 1.778 ( 0.456 -8.739 -0.220) 8.754 2.135 ( -4.180 8.551 5.481) 10.983 2.252 ( 3.847 0.043 4.333) 5.795 2.518 ( -0.277 10.208 3.057) 10.659 2.657 ( -3.621 -0.562 -8.222) 9.002 2.725 ( -8.976 5.983 3.412) 11.314 3.025 ( 0.687 10.228 -1.734) 10.396 3.167 ( -4.524 -0.228 7.866) 9.077 3.401 ( -2.943 -6.586 -6.532) 9.732 3.642 ( -4.804 -14.478 -0.948) 15.284 3.734 ( -5.272 -10.400 -5.489) 12.887 3.831 ( -9.162 7.154 -2.771) 11.950 4.090 ( 1.257 -2.398 -7.369) 7.850 4.216 ( 8.029 0.957 9.829) 12.728 4.381 ( 12.074 0.432 -5.739) 13.376 4.952 ( -13.658 -2.074 8.181) 16.056 5.133 ( 1.112 -4.151 3.272) 5.401 5.239 ( 2.176 -0.416 -7.329) 7.656 5.505 ( 10.340 -4.446 -4.985) 12.310 5.602 ( 5.693 -2.517 -2.713) 6.790 5.697 ( 2.629 1.266 0.118) 2.920 5.761 ( 6.196 5.689 -2.043) 8.656 6.055 ( 3.660 -2.584 -7.176) 8.460 6.239 ( 1.481 -4.970 -3.313) 6.154 6.381 ( 2.386 -4.113 -2.947) 5.594 6.455 ( 0.957 -6.715 -2.252) 7.147 6.518 ( 14.152 -5.746 2.818) 15.532 6.671 ( 3.337 1.937 -1.431) 4.115 6.709 ( 0.748 0.232 0.570) 0.968 6.981 ( -0.307 1.823 1.922) 2.667 7.095 ( 4.780 -0.492 4.287) 6.439 7.416 ( -5.258 4.085 2.627) 7.158 7.509 ( -5.494 5.973 8.033) 11.419 7.561 ( -9.548 -1.159 4.685) 10.698 7.788 ( -3.074 7.975 -3.912) 9.399 7.825 ( -9.226 -3.850 5.856) 11.586 8.086 ( -4.470 0.841 0.787) 4.617 8.258 ( -1.169 5.471 1.184) 5.718 8.333 ( -1.260 1.616 -1.477) 2.526 8.576 ( -2.236 -1.175 1.899) 3.160 8.716 ( -2.485 -2.316 5.548) 6.506 8.834 ( 7.099 6.613 -7.647) 12.354 9.135 ( 8.193 -3.195 -9.430) 12.894 9.375 ( -5.433 -1.552 -4.208) 7.045 9.473 ( -3.365 -2.240 -3.909) 5.623 9.712 ( 2.551 0.356 0.177) 2.582 9.798 ( 5.600 -2.648 1.277) 6.325 9.926 ( -4.188 0.477 -3.103) 5.234 10.141 ( 4.874 0.150 -2.221) 5.358 10.443 ( -12.657 8.420 -7.540) 16.969 10.488 ( -9.174 -7.978 -7.595) 14.335 10.674 ( 0.248 2.047 7.309) 7.594 10.970 ( 7.438 4.933 3.726) 9.672 11.141 ( -3.627 -13.103 6.153) 14.923 11.313 ( 2.834 -7.043 -2.283) 7.928 12.401 ( -1.127 11.552 2.918) 11.968 12.437 ( 0.923 9.209 4.681) 10.371 12.702 ( -1.754 0.865 6.265) 6.563 12.732 ( -2.189 -2.142 0.047) 3.063 13.285 ( -5.718 3.806 -8.809) 11.171 13.457 ( 3.177 6.806 9.359) 12.000 13.590 ( -12.213 -7.218 -7.301) 15.955 13.939 ( 5.491 -12.075 11.662) 17.662 14.088 ( -5.147 4.614 1.983) 7.191 14.362 ( 6.820 0.270 -4.152) 7.989 14.449 ( -0.240 -7.427 -1.908) 7.672 14.683 ( 10.223 -9.598 -2.358) 14.219 15.004 ( -4.736 9.914 7.444) 13.271 15.301 ( 4.062 -0.175 3.826) 5.583 15.455 ( 4.951 4.260 2.002) 6.832 15.707 ( 10.410 -4.301 -2.267) 11.489 16.266 ( -12.423 7.670 -4.083) 15.160 16.474 ( -4.562 -3.838 -2.801) 6.587 16.953 ( 9.020 7.008 -0.206) 11.425 17.052 ( 10.429 1.600 -2.567) 10.858 19.752 ( -18.227 3.436 -36.083) 40.572 19.985 ( -20.433 -8.548 -24.569) 33.078 20.267 ( 11.353 5.774 17.563) 21.695 20.638 ( 14.111 -14.162 5.436) 20.718 21.102 ( -9.400 8.251 1.008) 12.548 21.413 ( 0.368 -7.453 2.744) 7.950 21.705 ( 6.289 4.313 3.095) 8.230 21.848 ( 7.710 -3.704 -0.392) 8.563 22.330 ( -6.976 5.440 3.485) 9.508 22.484 ( -0.793 -3.242 -0.023) 3.337 22.896 ( 2.243 4.274 -2.772) 5.566 22.961 ( 5.032 1.539 -0.043) 5.262 23.949 ( -5.006 5.267 -1.136) 7.355 24.095 ( 1.436 2.310 -3.198) 4.198 24.248 ( -5.576 -0.994 -0.832) 5.724 24.371 ( 0.319 -3.199 8.139) 8.751 26.660 ( -8.172 -1.817 2.010) 8.609 26.749 ( -5.706 -5.706 -5.509) 9.770 27.175 ( 4.076 1.554 4.074) 5.968 27.260 ( 6.916 -3.008 3.209) 8.196 ======================= Grid point 209 (113/128) ======================= q-point: ( 0.22 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -10.816 6.182 2.357) 12.679 1.811 ( 2.412 -8.643 0.823) 9.011 2.129 ( -0.132 8.577 2.971) 9.078 2.324 ( -3.538 0.183 -2.965) 4.620 2.447 ( -4.871 1.143 1.612) 5.256 2.554 ( 3.850 -1.791 -4.386) 6.104 2.685 ( -1.989 -2.832 0.511) 3.498 2.939 ( -6.954 3.570 -9.545) 12.337 3.134 ( -6.880 -0.121 3.016) 7.513 3.230 ( -7.618 -13.268 -5.912) 16.402 3.376 ( -8.821 -0.756 -18.523) 20.530 3.625 ( -0.976 -5.703 -1.394) 5.951 3.793 ( -0.818 3.970 0.564) 4.092 3.944 ( -3.745 -3.543 -12.011) 13.070 4.423 ( 3.970 -1.967 9.469) 10.454 4.547 ( 7.763 0.071 3.864) 8.672 4.827 ( -8.435 -1.850 4.386) 9.685 5.091 ( -8.954 -8.006 -5.786) 13.332 5.226 ( 8.407 0.986 -5.427) 10.055 5.601 ( 5.095 -13.615 -11.350) 18.443 5.692 ( 8.361 8.550 -1.123) 12.011 5.744 ( 4.623 1.237 -0.349) 4.798 5.871 ( 9.593 5.384 -13.563) 17.463 6.088 ( 8.063 0.916 -2.709) 8.555 6.259 ( 3.591 -2.657 -2.321) 5.034 6.350 ( 4.358 -9.495 -9.752) 14.291 6.482 ( 1.926 5.120 2.747) 6.121 6.664 ( 1.747 3.191 -4.447) 5.745 6.752 ( 9.328 -6.995 -0.001) 11.659 6.806 ( 4.095 2.303 4.195) 6.299 7.036 ( 2.004 0.816 3.454) 4.076 7.199 ( 0.889 0.736 7.514) 7.602 7.293 ( -12.642 6.126 5.610) 15.127 7.466 ( -4.712 -2.402 6.653) 8.499 7.487 ( -8.328 0.141 9.434) 12.585 7.667 ( -6.216 6.245 0.130) 8.812 7.774 ( -4.698 -6.012 -1.809) 7.841 8.021 ( 0.872 -1.152 -2.593) 2.968 8.136 ( -12.242 4.663 4.608) 13.887 8.352 ( 1.659 0.100 -0.351) 1.698 8.606 ( 5.491 2.404 -4.502) 7.497 8.695 ( -4.943 -0.846 3.434) 6.078 8.858 ( 5.442 7.656 -8.739) 12.830 9.075 ( -4.260 -3.087 -12.001) 13.104 9.254 ( -2.506 3.046 -2.476) 4.657 9.392 ( 0.277 -6.232 -6.964) 9.349 9.664 ( 1.352 5.303 -14.256) 15.270 9.864 ( -0.428 0.881 2.558) 2.739 9.974 ( -11.727 -3.299 -7.717) 14.421 10.015 ( 2.841 -3.113 2.840) 5.082 10.143 ( -8.367 4.518 -6.327) 11.421 10.392 ( -0.016 -1.294 -2.335) 2.669 10.671 ( -5.675 -1.879 2.656) 6.541 10.963 ( -8.107 -9.846 -0.010) 12.754 11.245 ( 8.465 -4.110 5.105) 10.705 11.386 ( 3.063 -5.827 5.453) 8.548 12.388 ( -1.338 12.140 3.770) 12.782 12.573 ( 1.000 8.232 12.138) 14.700 12.712 ( -1.008 -0.121 4.939) 5.043 12.759 ( -0.980 6.165 7.352) 9.645 13.138 ( -3.139 1.633 -6.970) 7.816 13.279 ( -9.975 -5.694 -6.235) 13.069 13.680 ( 5.772 5.940 11.356) 14.055 14.002 ( -3.640 0.237 6.901) 7.806 14.179 ( 2.442 -7.826 14.926) 17.030 14.329 ( -3.125 -11.438 -2.238) 12.067 14.547 ( 10.671 4.808 -2.823) 12.040 14.845 ( 10.477 -8.328 -0.359) 13.389 15.026 ( -0.551 9.348 5.770) 10.999 15.354 ( -1.985 -5.861 7.287) 9.560 15.689 ( 16.326 7.390 3.461) 18.252 15.893 ( 5.298 0.459 1.157) 5.442 16.018 ( -5.381 4.223 -4.891) 8.409 16.310 ( -7.925 -8.353 -7.062) 13.507 17.098 ( 9.609 7.532 -4.864) 13.142 17.182 ( 8.918 2.642 -5.239) 10.675 18.959 ( -24.774 3.042 -54.222) 59.691 19.122 ( -33.247 -4.890 -51.281) 61.311 20.614 ( 10.446 2.191 11.449) 15.653 20.831 ( 5.603 -10.059 3.791) 12.122 21.055 ( -0.436 8.125 3.075) 8.698 21.390 ( -4.680 -8.685 4.046) 10.663 21.891 ( 10.199 4.292 1.327) 11.145 21.983 ( 8.301 -1.310 -0.653) 8.429 22.247 ( -6.632 5.202 3.965) 9.315 22.453 ( -3.222 -5.768 0.980) 6.679 22.928 ( 4.014 7.003 -1.528) 8.215 23.051 ( 5.114 2.197 0.659) 5.604 23.853 ( -4.462 2.823 -1.382) 5.457 23.983 ( -6.482 -2.493 -4.895) 8.497 24.252 ( 1.711 5.251 3.338) 6.453 24.439 ( -3.295 -3.841 10.640) 11.782 26.533 ( -7.638 -4.006 0.843) 8.666 26.595 ( -5.428 -6.954 -5.019) 10.150 27.303 ( 4.080 3.793 5.978) 8.171 27.409 ( 5.413 -2.270 4.424) 7.350 ======================= Grid point 210 (114/128) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -1.983 3.024 0.809) 3.706 1.795 ( -2.200 -8.678 -14.080) 16.685 2.064 ( -8.475 1.071 -8.948) 12.371 2.209 ( -6.394 -9.026 -5.886) 12.530 2.321 ( -1.569 0.924 -6.358) 6.613 2.636 ( 4.257 -6.995 0.432) 8.199 2.680 ( -2.072 3.933 -10.233) 11.157 2.735 ( 0.446 -2.288 3.616) 4.302 2.894 ( -9.958 -3.305 -8.047) 13.223 3.081 ( -7.344 -9.524 1.854) 12.169 3.289 ( 2.479 3.773 0.879) 4.600 3.592 ( -1.598 -9.133 -2.232) 9.537 3.772 ( -0.028 5.258 -3.839) 6.511 3.804 ( -3.342 3.558 -6.213) 7.901 4.516 ( -0.900 -2.563 5.157) 5.829 4.684 ( 3.970 1.954 -0.472) 4.450 4.747 ( -3.501 -10.776 4.097) 12.049 4.885 ( -6.983 -8.415 -5.663) 12.314 5.287 ( 4.698 -0.134 -9.639) 10.724 5.534 ( 1.121 -9.824 -13.211) 16.502 5.656 ( -2.338 2.461 -12.297) 12.757 5.768 ( 0.346 -6.018 -12.460) 13.842 5.948 ( 11.365 9.183 -5.083) 15.470 6.134 ( 0.130 4.529 -2.609) 5.228 6.335 ( 3.503 3.989 -0.129) 5.310 6.461 ( 11.054 -5.632 1.528) 12.499 6.512 ( -0.138 2.346 1.561) 2.821 6.718 ( 2.458 -5.827 0.798) 6.374 6.790 ( 4.712 7.006 -2.189) 8.722 6.920 ( 5.763 3.300 -0.113) 6.642 7.014 ( -8.062 9.028 1.406) 12.185 7.185 ( -5.696 3.366 5.259) 8.452 7.297 ( 2.197 -1.210 9.584) 9.906 7.416 ( -5.348 -3.887 2.640) 7.119 7.494 ( -1.613 -2.044 5.905) 6.454 7.528 ( -4.740 0.741 -3.478) 5.926 7.700 ( -0.578 1.543 -2.085) 2.657 7.999 ( -8.828 -0.129 6.257) 10.821 8.069 ( 3.247 0.348 0.759) 3.353 8.332 ( -4.612 -7.518 2.625) 9.202 8.637 ( 1.337 8.095 -1.463) 8.334 8.683 ( 7.012 4.353 -9.439) 12.539 8.867 ( -3.599 -1.830 -9.654) 10.464 8.874 ( -1.276 -0.659 -2.381) 2.781 9.216 ( -0.315 0.235 -2.319) 2.352 9.322 ( -2.542 -4.829 -5.207) 7.543 9.532 ( -18.792 4.722 -6.729) 20.511 9.560 ( 0.496 3.798 -19.121) 19.501 9.863 ( -0.399 7.891 -4.658) 9.172 9.942 ( -7.752 4.378 -2.714) 9.307 10.221 ( 6.111 -7.853 6.247) 11.749 10.402 ( 0.832 -8.575 3.204) 9.192 10.598 ( -1.355 -3.684 -0.879) 4.023 10.806 ( -8.457 -11.983 -2.351) 14.854 11.423 ( 6.577 -2.874 5.032) 8.766 11.489 ( 2.142 -4.446 6.390) 8.073 12.407 ( -3.359 11.802 7.930) 14.610 12.600 ( -8.025 2.526 7.959) 11.581 12.781 ( 2.131 8.960 6.848) 11.477 12.847 ( 5.008 6.582 3.388) 8.937 13.043 ( -1.637 2.625 -4.890) 5.786 13.124 ( -4.015 -2.736 -2.500) 5.464 13.881 ( 5.888 1.033 9.993) 11.645 14.025 ( -3.018 -0.709 9.756) 10.237 14.256 ( -3.561 -6.474 3.984) 8.395 14.377 ( 3.502 -8.520 12.429) 15.470 14.716 ( 11.145 7.668 -0.175) 13.529 15.006 ( 5.002 -4.072 2.526) 6.927 15.091 ( 4.756 3.839 4.412) 7.538 15.389 ( -1.213 -6.770 6.258) 9.299 15.706 ( -8.289 9.703 -9.620) 15.981 15.990 ( 13.114 4.931 5.710) 15.130 16.040 ( -6.434 -8.000 -8.076) 13.062 16.249 ( 8.940 -8.798 4.934) 13.479 17.170 ( 5.566 8.140 -7.496) 12.387 17.243 ( 4.766 3.113 -8.195) 9.978 18.000 ( -27.021 1.422 -56.493) 62.639 18.083 ( -27.841 -1.733 -54.179) 60.939 20.826 ( 6.326 1.810 4.532) 7.990 20.961 ( 4.815 -3.014 6.441) 8.588 21.078 ( 1.670 2.233 -1.233) 3.049 21.352 ( -3.723 -8.597 2.935) 9.817 22.036 ( 7.309 4.985 -1.706) 9.011 22.087 ( 4.381 5.686 -2.743) 7.685 22.201 ( -2.078 -0.820 4.681) 5.187 22.397 ( -4.440 -7.199 1.165) 8.538 23.003 ( 4.737 9.049 1.298) 10.296 23.134 ( 3.463 4.243 0.905) 5.551 23.782 ( -2.946 0.729 -0.378) 3.058 23.852 ( -4.665 -1.879 -2.552) 5.640 24.318 ( 2.660 3.408 2.981) 5.251 24.450 ( -6.114 -3.256 9.470) 11.733 26.424 ( -7.153 -4.221 2.894) 8.795 26.493 ( -1.509 -8.359 -4.668) 9.692 27.403 ( 1.882 4.328 4.850) 6.768 27.506 ( 2.507 -1.600 2.015) 3.592 ======================= Grid point 211 (115/128) ======================= q-point: ( 0.44 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 2.373 -9.290 -21.498) 23.540 1.438 ( -10.675 -5.235 -27.286) 29.764 1.722 ( -7.014 -3.291 -6.950) 10.408 2.007 ( -10.174 -17.665 -5.105) 21.015 2.374 ( 2.631 3.969 2.990) 5.623 2.541 ( -0.268 5.486 -1.949) 5.828 2.737 ( -2.884 -6.629 5.176) 8.891 2.778 ( 3.394 -10.019 5.198) 11.787 2.882 ( 5.375 -0.257 0.453) 5.400 3.009 ( -0.825 -2.836 -0.833) 3.069 3.358 ( 2.445 0.771 2.907) 3.876 3.509 ( -4.650 -7.094 -5.357) 10.032 3.701 ( -3.373 7.275 -2.095) 8.288 3.728 ( -1.521 6.348 -3.867) 7.587 4.503 ( -2.295 -6.396 0.575) 6.820 4.628 ( -0.071 -6.001 -8.842) 10.686 4.775 ( -3.212 -9.226 -0.161) 9.770 4.816 ( 2.080 -13.639 2.375) 14.000 5.204 ( -0.419 3.508 -11.231) 11.773 5.322 ( -8.700 1.321 -14.435) 16.905 5.563 ( 0.035 -5.501 -5.550) 7.814 5.639 ( -4.145 -7.290 -8.116) 11.670 5.994 ( -1.044 4.073 -0.859) 4.291 6.066 ( -2.663 1.826 -5.428) 6.315 6.457 ( -3.721 2.922 3.211) 5.718 6.511 ( 3.417 0.581 0.635) 3.523 6.539 ( 6.799 2.940 3.183) 8.062 6.762 ( 1.669 7.098 1.289) 7.405 6.862 ( -2.570 6.013 3.783) 7.555 6.902 ( -1.811 11.315 -2.833) 11.804 7.044 ( 7.027 2.260 -1.484) 7.529 7.119 ( -5.547 2.825 3.422) 7.104 7.385 ( 0.598 -4.099 2.715) 4.953 7.459 ( 7.140 -2.152 -1.885) 7.691 7.498 ( 5.320 -1.852 -0.176) 5.636 7.529 ( -0.903 -4.337 3.933) 5.924 7.720 ( 4.504 3.793 3.304) 6.752 7.928 ( -6.815 -3.243 4.623) 8.851 8.119 ( 3.088 0.455 -0.361) 3.142 8.265 ( -5.118 -7.418 -0.773) 9.045 8.622 ( -5.231 6.288 0.571) 8.200 8.696 ( 1.605 5.489 -4.459) 7.252 8.728 ( 0.690 1.318 -5.449) 5.649 8.835 ( -3.846 -1.199 -3.453) 5.306 9.155 ( -5.656 1.022 -2.617) 6.315 9.228 ( -1.834 7.437 -2.103) 7.943 9.259 ( 0.496 -5.507 -6.372) 8.436 9.444 ( -0.332 -0.069 -13.033) 13.038 9.793 ( -6.292 4.671 -0.113) 7.837 9.821 ( 1.268 5.499 -6.811) 8.845 10.305 ( -4.566 -5.696 11.903) 13.963 10.497 ( 8.714 -8.491 -3.075) 12.550 10.590 ( -4.958 -7.568 2.882) 9.495 10.687 ( 1.761 -11.675 -5.196) 12.900 11.550 ( 3.952 -2.877 3.003) 5.737 11.559 ( -0.152 -2.897 4.639) 5.472 12.424 ( -1.735 9.749 6.721) 11.968 12.524 ( -5.421 5.021 3.389) 8.129 12.862 ( 1.474 8.991 3.826) 9.882 12.948 ( 2.521 5.632 0.163) 6.173 13.007 ( 2.659 3.800 -2.231) 5.147 13.073 ( -1.256 -0.452 -0.755) 1.534 14.023 ( -1.207 -0.827 9.587) 9.698 14.070 ( 1.139 -4.548 4.299) 6.361 14.268 ( -2.539 1.260 10.744) 11.111 14.520 ( 2.304 -4.239 5.119) 7.034 14.927 ( 10.874 8.560 5.529) 14.902 15.073 ( 3.317 -1.603 3.077) 4.800 15.225 ( 2.774 -3.504 1.022) 4.584 15.430 ( 0.553 -8.818 0.734) 8.866 15.542 ( -2.960 8.696 0.196) 9.188 15.848 ( -4.556 -7.205 -7.492) 11.349 16.202 ( 6.313 1.662 3.073) 7.215 16.410 ( 2.835 -9.390 0.574) 9.825 17.045 ( -10.105 5.362 -30.176) 32.271 17.107 ( -14.596 1.781 -27.964) 31.595 17.222 ( -4.457 7.046 -11.115) 13.894 17.399 ( -5.486 -0.457 -22.150) 22.823 20.939 ( 4.076 3.897 2.184) 6.047 21.024 ( -1.226 6.310 0.105) 6.429 21.159 ( 7.495 -8.255 1.927) 11.315 21.306 ( -3.711 -8.820 -0.066) 9.569 22.080 ( -2.636 9.061 1.526) 9.559 22.114 ( 4.976 6.367 -3.996) 9.015 22.259 ( 4.073 -4.431 0.647) 6.054 22.328 ( -4.445 -7.679 0.766) 8.906 23.095 ( 3.196 9.479 2.868) 10.407 23.172 ( 0.140 6.934 0.202) 6.938 23.747 ( -1.340 -0.231 0.501) 1.449 23.782 ( -1.447 -1.411 -1.533) 2.536 24.399 ( 2.817 -0.521 3.022) 4.164 24.418 ( -4.714 -1.356 5.987) 7.740 26.352 ( -5.349 -3.968 4.794) 8.206 26.451 ( 1.432 -9.159 -4.542) 10.323 27.463 ( 1.017 3.579 3.350) 5.007 27.538 ( 1.096 -0.584 -0.989) 1.588 ======================= Grid point 212 (116/128) ======================= q-point: (-0.44 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -8.695 -5.107 -6.559) 12.030 1.166 ( 0.447 -7.245 -9.609) 12.043 1.761 ( -7.901 -8.565 -3.088) 12.055 1.910 ( 13.731 -14.800 3.547) 20.498 2.418 ( -3.100 5.591 6.138) 8.863 2.527 ( 0.239 4.087 -5.628) 6.960 2.758 ( -1.406 -7.261 5.135) 9.004 2.870 ( 5.758 -6.971 -3.849) 9.826 2.915 ( -3.118 -3.480 4.359) 6.390 3.004 ( -0.201 -5.972 -4.589) 7.534 3.382 ( -1.865 2.919 -1.030) 3.614 3.428 ( 3.106 -1.314 0.085) 3.374 3.648 ( -3.315 4.642 2.433) 6.202 3.676 ( -2.088 5.600 0.755) 6.025 4.479 ( -1.091 -3.763 1.554) 4.215 4.589 ( 5.116 -8.290 -7.412) 12.241 4.769 ( 0.981 -11.796 4.358) 12.614 4.834 ( 2.306 -16.870 -4.164) 17.529 5.063 ( -9.804 6.959 -0.247) 12.025 5.187 ( 2.640 1.098 -1.201) 3.101 5.477 ( -9.664 -7.903 3.542) 12.976 5.504 ( -6.653 -6.785 2.031) 9.717 5.969 ( -2.161 2.721 2.056) 4.038 5.995 ( -2.425 3.095 -0.072) 3.932 6.440 ( 0.692 0.746 3.034) 3.200 6.523 ( 0.681 -3.166 -0.567) 3.288 6.616 ( -13.102 10.329 -1.709) 16.771 6.787 ( 6.724 6.076 0.053) 9.063 6.812 ( -0.429 10.070 3.881) 10.801 6.936 ( 4.801 11.597 -1.924) 12.698 7.040 ( -8.469 -0.600 -0.667) 8.516 7.144 ( 5.906 2.234 1.120) 6.413 7.393 ( -2.166 -3.721 2.082) 4.782 7.463 ( 0.941 -1.441 -4.275) 4.609 7.497 ( -2.951 -3.466 -0.160) 4.555 7.633 ( 6.433 -9.529 -3.326) 11.969 7.820 ( -0.362 6.467 -3.344) 7.290 7.982 ( 14.375 -0.704 0.062) 14.392 8.135 ( -4.717 -0.103 -3.074) 5.631 8.210 ( 5.888 -2.503 2.619) 6.914 8.532 ( -8.179 3.050 8.173) 11.958 8.557 ( -11.728 2.219 3.967) 12.578 8.756 ( 6.630 7.607 -3.741) 10.762 8.890 ( 10.888 0.531 -4.885) 11.945 9.087 ( -3.765 1.407 2.612) 4.793 9.217 ( 1.990 -1.766 -8.442) 8.851 9.257 ( 2.251 -0.577 3.921) 4.557 9.339 ( 0.859 -2.206 -7.713) 8.068 9.722 ( -1.798 5.536 1.809) 6.095 9.835 ( 5.231 1.927 -3.135) 6.395 10.305 ( -7.748 -4.846 9.110) 12.904 10.529 ( -4.119 -9.419 5.440) 11.631 10.572 ( 4.643 -8.548 -6.577) 11.742 10.720 ( 6.224 -8.501 -6.033) 12.141 11.562 ( -2.963 -1.619 1.833) 3.842 11.608 ( 0.971 -3.510 0.304) 3.655 12.500 ( 4.968 7.982 3.736) 10.117 12.527 ( 5.145 7.516 -0.242) 9.112 12.906 ( 0.415 7.941 2.530) 8.345 12.935 ( -0.283 5.425 -3.011) 6.211 13.027 ( -2.263 1.921 -2.162) 3.672 13.069 ( 3.152 1.743 -1.689) 3.978 14.030 ( -5.128 -2.214 5.549) 7.873 14.112 ( -0.715 -5.664 3.204) 6.547 14.355 ( -1.117 7.231 13.193) 15.086 14.538 ( 1.484 0.242 -6.111) 6.293 15.109 ( 1.336 -1.022 2.684) 3.168 15.151 ( -0.706 -0.192 -8.616) 8.647 15.262 ( 7.706 -2.889 7.913) 11.417 15.286 ( -2.981 0.324 -11.312) 11.703 15.690 ( 4.276 -2.153 12.376) 13.270 15.754 ( -2.941 -3.578 -7.832) 9.099 16.272 ( -4.064 -4.723 -5.586) 8.368 16.274 ( -0.535 -4.434 -1.067) 4.592 16.731 ( -5.202 3.727 -1.909) 6.678 16.775 ( -1.121 1.533 -3.095) 3.631 17.187 ( -1.759 5.186 2.759) 6.132 17.233 ( -3.648 3.146 -7.238) 8.695 20.967 ( -2.591 4.145 -0.515) 4.915 21.035 ( 4.656 5.804 -1.424) 7.576 21.206 ( -5.566 -8.629 -1.898) 10.442 21.306 ( 6.970 -8.130 -0.148) 10.710 22.045 ( -3.777 6.846 2.587) 8.235 22.124 ( -0.717 7.229 -2.667) 7.739 22.270 ( -0.936 -6.068 -0.243) 6.145 22.340 ( 4.597 -4.359 -0.804) 6.386 23.124 ( -3.845 9.660 1.010) 10.446 23.158 ( -0.359 7.547 0.590) 7.579 23.747 ( 0.465 -0.426 1.347) 1.487 23.768 ( 1.051 -1.016 -1.252) 1.925 24.367 ( -5.115 1.852 4.689) 7.182 24.510 ( 7.188 -4.797 -0.980) 8.697 26.335 ( -2.472 -3.886 6.038) 7.594 26.458 ( 4.213 -9.299 -4.503) 11.158 27.500 ( 0.442 2.398 1.803) 3.033 27.538 ( 1.419 0.786 -2.984) 3.396 ======================= Grid point 213 (117/128) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 5.940 -0.386 27.264) 27.906 1.328 ( 7.869 -4.013 16.085) 18.350 1.732 ( 6.505 0.578 9.193) 11.277 2.162 ( 10.317 -15.289 0.763) 18.460 2.331 ( -9.175 4.118 -2.473) 10.356 2.471 ( -3.707 10.373 3.560) 11.577 2.707 ( -7.615 -10.643 -1.898) 13.223 2.824 ( -1.311 1.160 -3.112) 3.571 2.937 ( 6.199 -7.617 -4.968) 11.006 3.050 ( 7.453 -10.277 2.611) 12.960 3.376 ( 1.529 4.932 -3.158) 6.053 3.499 ( 1.062 -5.625 4.899) 7.535 3.641 ( -4.247 4.430 7.595) 9.765 3.681 ( 0.875 7.594 5.024) 9.148 4.516 ( -0.508 1.219 7.322) 7.440 4.647 ( 5.487 -6.014 -3.272) 8.774 4.806 ( -1.780 -4.783 1.629) 5.357 4.866 ( 6.301 -14.390 -3.256) 16.043 5.036 ( 0.949 -0.050 10.693) 10.735 5.251 ( -0.330 -7.656 8.653) 11.558 5.397 ( -5.071 -5.658 10.342) 12.833 5.462 ( -5.055 -7.630 12.612) 15.583 5.895 ( -9.275 6.781 0.559) 11.504 6.007 ( -0.380 2.378 7.105) 7.502 6.338 ( -12.815 5.237 -0.257) 13.846 6.447 ( -10.056 -0.378 2.222) 10.305 6.545 ( 2.522 3.022 -0.267) 3.945 6.700 ( -19.243 0.834 0.180) 19.262 6.828 ( 4.768 -2.710 -3.167) 6.333 6.940 ( -2.035 1.818 -0.695) 2.816 7.030 ( 9.272 11.881 0.751) 15.090 7.254 ( 6.646 4.836 -0.485) 8.234 7.373 ( -0.709 2.796 3.997) 4.929 7.455 ( -0.259 -6.572 -4.246) 7.828 7.526 ( 8.532 -1.131 -6.488) 10.778 7.645 ( 4.540 -5.132 -4.433) 8.160 7.793 ( 1.317 6.715 -7.464) 10.126 8.035 ( -4.633 1.101 2.625) 5.437 8.151 ( 6.353 4.317 -6.314) 9.943 8.345 ( 4.559 -5.101 2.996) 7.468 8.497 ( -2.121 5.704 4.150) 7.366 8.562 ( 4.355 -1.892 6.755) 8.257 8.805 ( 1.918 4.089 -3.610) 5.782 8.884 ( -4.058 -0.407 -1.141) 4.235 9.161 ( 2.028 3.537 7.715) 8.726 9.213 ( 0.740 -0.576 1.812) 2.041 9.329 ( 3.631 -4.764 -2.037) 6.327 9.401 ( 12.849 -4.682 3.848) 14.206 9.774 ( 4.936 6.653 2.281) 8.592 9.921 ( 6.261 0.966 0.101) 6.335 10.223 ( -8.348 -3.684 3.932) 9.936 10.469 ( -8.763 -13.468 3.468) 16.438 10.608 ( 7.128 -1.119 -5.106) 8.839 10.800 ( 8.736 -8.151 -3.058) 12.333 11.493 ( -5.579 -1.041 -1.213) 5.804 11.588 ( -2.159 -4.591 -2.318) 5.578 12.608 ( 8.920 11.846 -8.876) 17.282 12.681 ( 9.845 5.845 1.161) 11.508 12.887 ( -1.211 6.611 -3.487) 7.571 12.921 ( -1.415 6.221 -3.906) 7.480 12.968 ( 0.008 2.347 1.098) 2.591 13.087 ( 1.166 -1.773 -0.133) 2.126 13.960 ( -6.638 -2.369 0.987) 7.116 14.127 ( 0.273 -7.155 2.122) 7.468 14.419 ( -0.887 5.719 1.924) 6.099 14.503 ( 0.556 -1.204 -4.091) 4.301 14.896 ( -8.699 8.247 -18.839) 22.329 15.065 ( -1.981 -1.163 -2.871) 3.677 15.236 ( -2.101 -2.826 -8.896) 9.567 15.454 ( 3.351 -10.611 1.625) 11.245 15.591 ( 0.241 6.606 -2.671) 7.130 15.830 ( 5.244 -6.517 8.772) 12.121 16.124 ( -8.223 2.930 -5.320) 10.223 16.345 ( -5.084 -8.866 0.355) 10.226 16.834 ( 5.918 6.466 26.366) 27.784 16.996 ( 6.905 -0.735 21.125) 22.237 17.161 ( 4.740 4.113 12.182) 13.703 17.232 ( 1.418 1.713 15.146) 15.308 20.898 ( -3.675 1.647 -2.845) 4.931 21.047 ( -7.124 -6.296 -1.509) 9.626 21.117 ( 4.557 5.601 -5.186) 8.891 21.409 ( 6.155 -8.580 -1.931) 10.734 21.995 ( -4.702 4.850 1.835) 7.000 22.054 ( -5.756 4.026 0.655) 7.055 22.283 ( 3.845 -0.849 -3.099) 5.011 22.406 ( 3.472 -4.242 -0.046) 5.482 23.028 ( -6.543 10.291 -0.758) 12.219 23.135 ( -3.544 5.225 0.683) 6.350 23.782 ( 2.265 -0.477 0.272) 2.331 23.797 ( 2.732 -0.442 1.601) 3.197 24.330 ( -2.884 5.517 1.831) 6.489 24.611 ( 7.381 -7.876 -4.873) 11.843 26.376 ( 0.496 -3.868 6.130) 7.265 26.508 ( 6.395 -8.931 -4.241) 11.775 27.499 ( -0.265 2.502 -2.463) 3.521 27.535 ( 0.452 0.773 -2.203) 2.378 ======================= Grid point 214 (118/128) ======================= q-point: (-0.22 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 11.567 6.117 8.693) 15.710 1.615 ( 5.170 1.037 20.785) 21.444 2.031 ( 2.085 3.516 12.052) 12.727 2.239 ( 1.775 -2.075 6.145) 6.725 2.259 ( 2.880 -8.082 8.591) 12.142 2.445 ( -5.894 2.686 12.343) 13.939 2.538 ( -9.052 -4.622 -0.088) 10.164 2.909 ( 11.742 0.600 -1.990) 11.925 3.066 ( 11.907 -4.395 1.179) 12.747 3.164 ( 0.991 -3.497 3.845) 5.291 3.386 ( 7.599 1.765 -9.555) 12.335 3.551 ( 0.780 -1.678 3.406) 3.877 3.633 ( -6.847 6.826 14.014) 17.026 3.785 ( 4.737 0.038 4.807) 6.750 4.504 ( -6.432 1.553 2.288) 7.002 4.626 ( -3.783 -5.467 -5.369) 8.545 4.874 ( 6.929 -2.854 4.568) 8.776 4.982 ( 5.641 -6.082 2.573) 8.685 5.132 ( 2.514 -8.188 3.927) 9.423 5.312 ( -4.129 -12.447 12.026) 17.794 5.516 ( 1.221 4.551 13.581) 14.375 5.572 ( 2.398 -2.660 14.739) 15.168 5.717 ( -9.521 6.030 0.972) 11.312 6.031 ( -5.617 0.329 3.944) 6.871 6.178 ( -7.807 -1.902 4.573) 9.245 6.207 ( -13.023 -6.952 0.960) 14.793 6.437 ( -10.194 2.721 5.190) 11.758 6.643 ( 4.751 5.243 -1.629) 7.261 6.744 ( -11.592 -7.860 1.193) 14.056 6.940 ( 3.317 0.722 -6.260) 7.121 7.113 ( 0.516 4.137 -3.038) 5.159 7.318 ( -6.514 -1.707 -0.954) 6.801 7.409 ( 5.971 6.234 -4.763) 9.859 7.533 ( 13.453 6.531 7.078) 16.545 7.578 ( 5.694 -2.610 -4.274) 7.583 7.725 ( 2.015 7.036 -6.267) 9.636 7.782 ( 8.970 -3.360 -4.758) 10.696 7.965 ( -3.620 0.777 2.680) 4.571 8.212 ( 4.584 7.841 -1.886) 9.277 8.366 ( -1.569 1.527 -1.658) 2.746 8.533 ( -0.199 2.330 4.502) 5.073 8.665 ( -0.082 -1.906 5.704) 6.015 8.794 ( 5.097 -1.445 -5.169) 7.402 8.890 ( 1.185 -5.091 3.760) 6.440 9.218 ( -0.886 1.849 2.628) 3.334 9.253 ( 3.156 4.439 4.280) 6.928 9.431 ( 5.209 -2.984 6.336) 8.728 9.711 ( 12.368 -10.244 11.139) 19.545 9.882 ( 4.540 3.534 0.238) 5.758 10.039 ( 2.906 -3.037 3.072) 5.206 10.121 ( -0.301 1.544 -2.408) 2.876 10.353 ( -5.871 -6.577 2.293) 9.110 10.716 ( 8.489 1.411 -1.268) 8.699 10.936 ( 7.635 -8.226 0.394) 11.230 11.351 ( -8.397 -1.011 -4.228) 9.456 11.501 ( -4.124 -5.951 -4.029) 8.286 12.566 ( -1.468 13.372 -12.688) 18.492 12.797 ( -1.455 5.317 -8.569) 10.189 12.804 ( -0.097 11.769 -1.538) 11.869 12.872 ( 4.971 0.521 -5.416) 7.369 13.035 ( 3.798 4.797 2.465) 6.597 13.171 ( 7.206 -5.557 4.170) 10.009 13.832 ( -6.974 -0.300 -3.343) 7.739 14.159 ( 2.754 -8.341 -2.177) 9.050 14.392 ( 1.428 -0.867 -5.711) 5.950 14.454 ( -1.476 -5.912 -6.033) 8.575 14.595 ( -8.556 8.175 -13.085) 17.643 14.904 ( -13.128 -8.190 -8.237) 17.529 15.107 ( -0.299 7.650 -3.464) 8.403 15.461 ( -0.349 -7.234 -3.426) 8.012 15.757 ( 11.453 9.565 10.008) 17.967 15.847 ( -13.732 6.372 -10.072) 18.183 16.069 ( 5.580 -7.154 3.608) 9.764 16.138 ( -7.337 -8.409 -0.359) 11.165 16.951 ( -8.292 8.272 8.897) 14.709 17.045 ( -6.464 2.174 7.952) 10.476 17.774 ( 24.226 3.127 52.062) 57.507 17.976 ( 35.776 -8.089 53.835) 65.142 20.775 ( -7.085 -0.258 -5.081) 8.722 20.895 ( -6.899 -7.725 -2.707) 10.706 21.158 ( 5.569 8.424 -6.225) 11.863 21.480 ( 5.400 -8.674 -3.713) 10.872 21.911 ( -6.447 4.297 -0.409) 7.759 21.953 ( -7.114 1.327 1.342) 7.360 22.335 ( 5.831 1.726 -3.518) 7.025 22.451 ( 1.306 -3.248 0.787) 3.588 22.917 ( -5.312 9.295 -0.423) 10.714 23.060 ( -5.251 2.664 -0.088) 5.889 23.832 ( 3.431 0.862 0.517) 3.575 23.885 ( 4.203 -0.586 4.219) 5.984 24.297 ( -1.852 7.924 -0.785) 8.175 24.652 ( 4.465 -9.168 -8.738) 13.429 26.459 ( 2.883 -3.234 5.785) 7.227 26.593 ( 7.624 -8.052 -3.230) 11.550 27.443 ( -2.133 2.575 -5.890) 6.773 27.488 ( -3.628 -0.166 -3.063) 4.750 ======================= Grid point 215 (119/128) ======================= q-point: (-0.11 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -0.022 -1.901 4.211) 4.621 1.755 ( 5.325 -0.650 0.049) 5.364 2.071 ( -5.483 5.037 10.066) 12.520 2.261 ( -2.483 7.434 13.617) 15.712 2.362 ( -6.941 -8.262 -0.413) 10.798 2.526 ( 11.627 10.203 8.402) 17.603 2.679 ( 5.851 -8.126 15.319) 18.302 3.025 ( 3.886 10.637 -2.311) 11.558 3.222 ( -1.725 -3.062 8.512) 9.209 3.320 ( 10.268 -8.943 10.175) 16.999 3.422 ( 5.174 0.683 -9.176) 10.557 3.629 ( 6.024 5.311 10.331) 13.085 3.706 ( -1.922 3.852 14.642) 15.261 3.908 ( 7.288 -0.619 -0.284) 7.320 4.393 ( -5.298 -1.519 -3.269) 6.409 4.454 ( -7.712 -5.897 -9.728) 13.744 5.009 ( -0.839 0.829 8.312) 8.395 5.098 ( 11.647 -4.272 -1.780) 12.532 5.219 ( 0.046 -12.180 4.488) 12.981 5.307 ( -5.388 -8.659 4.339) 11.083 5.543 ( -2.887 13.359 3.122) 14.020 5.655 ( -4.438 2.876 4.981) 7.265 5.728 ( 5.808 -3.895 2.887) 7.565 5.950 ( -3.203 -2.839 2.337) 4.876 6.119 ( -3.677 -4.290 6.615) 8.700 6.232 ( 5.380 -10.852 9.190) 15.204 6.354 ( -5.505 -1.375 5.397) 7.831 6.561 ( -9.295 -7.842 -0.877) 12.193 6.683 ( 1.002 2.523 -2.392) 3.618 6.850 ( -4.032 0.598 -8.745) 9.648 7.049 ( -2.822 4.624 -4.052) 6.765 7.175 ( -7.205 -1.038 -1.871) 7.516 7.455 ( 1.674 6.708 -0.372) 6.924 7.604 ( -3.710 5.902 -2.091) 7.278 7.673 ( 6.076 -3.155 -3.743) 7.803 7.775 ( 0.842 4.490 -2.163) 5.055 7.874 ( 9.414 2.870 2.313) 10.110 8.077 ( 11.330 0.035 1.578) 11.439 8.233 ( -3.576 6.073 1.470) 7.200 8.299 ( -3.739 5.472 -0.084) 6.628 8.559 ( -0.713 1.711 7.142) 7.379 8.740 ( 0.690 -5.205 2.886) 5.991 8.846 ( 8.718 -1.220 -7.036) 11.269 8.910 ( -4.394 -4.726 4.959) 8.138 9.266 ( 3.355 3.150 6.238) 7.752 9.397 ( 9.818 2.683 1.296) 10.260 9.591 ( 5.623 -1.465 7.926) 9.827 9.803 ( -9.264 -7.457 3.091) 12.288 9.946 ( -0.925 -2.840 -0.254) 2.998 10.058 ( 7.419 -6.562 1.977) 10.100 10.292 ( 11.043 5.272 4.456) 13.023 10.365 ( 3.994 -1.476 4.913) 6.502 10.828 ( 6.121 3.484 -4.107) 8.153 11.037 ( 2.003 -6.041 3.447) 7.238 11.134 ( -11.487 -0.915 -5.927) 12.958 11.399 ( -2.616 -7.561 -4.575) 9.217 12.409 ( -5.615 13.498 -4.685) 15.351 12.667 ( -3.562 3.809 -8.012) 9.560 12.729 ( -2.665 8.440 -5.635) 10.492 12.931 ( 4.622 4.256 -8.181) 10.315 13.113 ( 2.797 2.755 5.285) 6.584 13.384 ( 11.283 -7.902 6.550) 15.253 13.676 ( -5.894 3.839 -6.108) 9.315 14.140 ( -1.191 -7.030 -7.545) 10.381 14.317 ( -1.270 -4.826 -14.348) 15.191 14.366 ( -4.032 2.312 -5.600) 7.278 14.444 ( 2.643 -7.597 -1.717) 8.225 14.637 ( -11.971 -5.620 0.696) 13.243 15.084 ( -0.494 8.425 -1.136) 8.516 15.369 ( -7.784 0.317 -3.946) 8.733 15.563 ( -7.016 2.263 -7.138) 10.262 15.792 ( -9.609 -4.121 -9.287) 13.984 16.119 ( 14.872 7.769 9.310) 19.189 16.372 ( 9.845 -5.169 7.174) 13.233 16.877 ( -7.711 7.363 6.659) 12.571 16.976 ( -7.597 1.752 4.477) 8.991 18.731 ( 26.908 5.485 56.021) 62.390 19.126 ( 39.118 -15.650 49.736) 65.183 20.579 ( -8.378 1.074 -8.688) 12.117 20.754 ( -6.879 -8.277 -4.781) 11.776 21.199 ( 7.221 8.316 -7.102) 13.105 21.509 ( 1.129 -7.663 -4.982) 9.210 21.771 ( -7.137 4.089 -2.449) 8.582 21.840 ( -6.956 -1.295 -0.127) 7.077 22.408 ( 5.900 1.986 -2.824) 6.836 22.457 ( -2.238 -0.189 1.933) 2.963 22.861 ( -0.955 6.069 0.215) 6.148 22.972 ( -4.201 1.205 -0.910) 4.464 23.907 ( 3.969 2.878 2.138) 5.349 24.003 ( 3.951 0.045 5.148) 6.490 24.253 ( -1.603 7.152 -1.718) 7.528 24.594 ( -0.609 -8.568 -11.015) 13.969 26.579 ( 4.344 -1.602 6.845) 8.264 26.705 ( 7.851 -6.541 -1.163) 10.284 27.317 ( -4.915 1.103 -7.781) 9.269 27.355 ( -7.724 -1.261 -4.303) 8.931 ======================= Grid point 216 (120/128) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -2.282 -3.465 0.725) 4.211 1.668 ( -2.282 3.465 0.725) 4.211 2.189 ( -1.728 -4.269 6.127) 7.665 2.189 ( -1.728 4.269 6.127) 7.665 2.618 ( 1.739 -8.487 7.881) 11.712 2.618 ( 1.739 8.487 7.881) 11.712 3.083 ( -0.032 -10.863 2.318) 11.107 3.083 ( -0.032 10.863 2.318) 11.107 3.308 ( 0.403 -9.504 5.711) 11.095 3.308 ( 0.403 9.504 5.711) 11.095 3.502 ( 0.112 -12.704 -2.065) 12.872 3.502 ( 0.112 12.704 -2.065) 12.872 4.018 ( 2.312 -4.714 8.247) 9.776 4.018 ( 2.312 4.714 8.247) 9.776 4.255 ( 0.609 -4.932 -9.575) 10.787 4.255 ( 0.609 4.932 -9.575) 10.787 5.055 ( -7.302 -1.207 8.708) 11.428 5.055 ( -7.302 1.207 8.708) 11.428 5.231 ( 10.277 -2.667 -6.359) 12.376 5.231 ( 10.277 2.667 -6.359) 12.376 5.673 ( -4.421 -5.417 3.097) 7.647 5.673 ( -4.421 5.417 3.097) 7.647 5.801 ( 5.988 -8.258 -2.197) 10.434 5.801 ( 5.988 8.258 -2.197) 10.434 6.248 ( 4.843 -3.169 4.307) 7.214 6.248 ( 4.843 3.169 4.307) 7.214 6.339 ( 0.225 -2.376 0.804) 2.518 6.339 ( 0.225 2.376 0.804) 2.518 6.704 ( -1.484 -2.323 -3.883) 4.762 6.704 ( -1.484 2.323 -3.883) 4.762 7.028 ( -3.102 -0.514 -0.782) 3.240 7.028 ( -3.102 0.514 -0.782) 3.240 7.609 ( -7.569 -6.157 3.260) 10.287 7.609 ( -7.569 6.157 3.260) 10.287 7.646 ( 1.719 -7.362 -0.187) 7.562 7.646 ( 1.719 7.362 -0.187) 7.562 8.158 ( -1.792 -2.159 -0.573) 2.863 8.158 ( -1.792 2.159 -0.573) 2.863 8.295 ( 1.041 -4.194 1.472) 4.565 8.295 ( 1.041 4.194 1.472) 4.565 8.603 ( -5.106 -1.923 8.529) 10.125 8.603 ( -5.106 1.923 8.529) 10.125 8.923 ( 10.124 -5.331 -9.707) 15.005 8.923 ( 10.124 5.331 -9.707) 15.005 9.458 ( 0.941 -3.800 4.210) 5.749 9.458 ( 0.941 3.800 4.210) 5.749 9.660 ( -1.260 -0.785 1.889) 2.403 9.660 ( -1.260 0.785 1.889) 2.403 10.076 ( 6.344 -3.489 -0.275) 7.245 10.076 ( 6.344 3.489 -0.275) 7.245 10.454 ( 1.485 -2.685 0.773) 3.164 10.454 ( 1.485 2.685 0.773) 3.164 10.912 ( -5.312 -10.350 8.122) 14.189 10.912 ( -5.312 10.350 8.122) 14.189 11.136 ( 1.927 -12.630 -10.245) 16.377 11.136 ( 1.927 12.630 -10.245) 16.377 12.523 ( -2.953 -7.100 3.260) 8.352 12.523 ( -2.953 7.100 3.260) 8.352 12.763 ( -3.407 -7.096 -9.827) 12.591 12.763 ( -3.407 7.096 -9.827) 12.591 13.439 ( 8.095 -11.032 10.533) 17.268 13.439 ( 8.095 11.032 10.533) 17.268 13.690 ( -9.758 -12.278 -9.373) 18.271 13.690 ( -9.758 12.278 -9.373) 18.271 14.312 ( 0.842 -4.149 -2.569) 4.952 14.312 ( 0.842 4.149 -2.569) 4.952 14.400 ( 1.607 -3.909 -3.891) 5.745 14.400 ( 1.607 3.909 -3.891) 5.745 15.216 ( -6.543 -7.440 7.181) 12.237 15.216 ( -6.543 7.440 7.181) 12.237 15.520 ( 2.748 -7.436 -9.525) 12.392 15.520 ( 2.748 7.436 -9.525) 12.392 16.474 ( 2.740 -2.406 2.673) 4.521 16.474 ( 2.740 2.406 2.673) 4.521 16.924 ( 0.786 -1.667 2.255) 2.913 16.924 ( 0.786 1.667 2.255) 2.913 19.760 ( 20.322 -11.178 37.566) 44.149 19.760 ( 20.322 11.178 37.566) 44.149 20.418 ( -6.813 -5.588 -16.327) 18.553 20.418 ( -6.813 5.588 -16.327) 18.553 21.342 ( -1.262 -1.535 -4.736) 5.136 21.342 ( -1.262 1.535 -4.736) 5.136 21.708 ( -1.287 -1.643 -0.846) 2.252 21.708 ( -1.287 1.644 -0.846) 2.252 22.457 ( -1.332 -1.521 0.994) 2.253 22.457 ( -1.332 1.521 0.994) 2.253 22.921 ( 0.905 -0.861 -1.103) 1.666 22.921 ( 0.905 0.861 -1.103) 1.666 24.078 ( 2.202 -3.500 4.423) 6.055 24.078 ( 2.202 3.500 4.423) 6.055 24.316 ( -2.962 -6.503 -5.248) 8.866 24.316 ( -2.962 6.503 -5.248) 8.866 26.729 ( 2.476 -3.087 2.680) 4.779 26.729 ( 2.476 3.087 2.680) 4.779 27.170 ( -3.790 -0.372 -4.031) 5.546 27.170 ( -3.790 0.372 -4.031) 5.546 ======================= Grid point 218 (121/128) ======================= q-point: ( 0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -1.250 -3.336 2.960) 4.632 1.658 ( -1.250 3.336 2.960) 4.632 2.231 ( 1.224 -2.576 3.484) 4.502 2.231 ( 1.224 2.576 3.484) 4.502 2.642 ( -2.776 -2.229 -0.415) 3.584 2.642 ( -2.776 2.229 -0.415) 3.584 2.990 ( -13.542 -18.961 2.728) 23.459 2.990 ( -13.542 18.961 2.728) 23.459 3.229 ( -4.461 -11.458 -3.773) 12.862 3.229 ( -4.461 11.458 -3.773) 12.862 3.538 ( 0.883 -7.323 -2.236) 7.708 3.538 ( 0.883 7.323 -2.236) 7.708 3.993 ( -5.144 -8.090 -3.771) 10.302 3.993 ( -5.144 8.090 -3.771) 10.302 4.310 ( 7.505 -6.437 2.712) 10.252 4.310 ( 7.505 6.437 2.712) 10.252 5.010 ( -5.087 -6.923 3.665) 9.340 5.010 ( -5.087 6.923 3.665) 9.340 5.323 ( 8.223 -9.019 -9.405) 15.409 5.323 ( 8.223 9.019 -9.405) 15.409 5.643 ( 1.393 -3.398 2.757) 4.592 5.643 ( 1.393 3.398 2.757) 4.592 5.965 ( 13.053 -9.400 -4.916) 16.820 5.965 ( 13.053 9.400 -4.916) 16.820 6.232 ( -2.199 -6.822 -5.709) 9.163 6.232 ( -2.199 6.822 -5.709) 9.163 6.435 ( 8.511 -2.807 0.474) 8.974 6.435 ( 8.511 2.807 0.474) 8.974 6.707 ( 2.465 -1.617 0.770) 3.047 6.707 ( 2.465 1.617 0.770) 3.047 7.046 ( 2.659 -4.308 4.148) 6.545 7.046 ( 2.659 4.308 4.148) 6.545 7.491 ( -9.019 -3.977 4.846) 10.984 7.491 ( -9.019 3.977 4.846) 10.984 7.669 ( -5.048 -8.571 6.229) 11.737 7.669 ( -5.048 8.571 6.229) 11.737 8.005 ( -9.175 -9.667 -2.666) 13.592 8.005 ( -9.175 9.667 -2.666) 13.592 8.327 ( -2.533 -2.611 3.112) 4.787 8.327 ( -2.533 2.611 3.112) 4.787 8.618 ( 0.167 -5.399 3.320) 6.341 8.618 ( 0.167 5.399 3.320) 6.341 9.002 ( 10.437 -9.494 -12.788) 19.042 9.002 ( 10.437 9.494 -12.788) 19.042 9.421 ( -5.246 -3.814 -1.413) 6.638 9.421 ( -5.246 3.814 -1.413) 6.638 9.741 ( 6.559 -3.153 3.556) 8.099 9.741 ( 6.559 3.153 3.556) 8.099 10.026 ( -5.408 -9.253 -9.723) 14.471 10.026 ( -5.408 9.253 -9.723) 14.471 10.457 ( -1.575 -3.057 -2.242) 4.106 10.457 ( -1.575 3.057 -2.242) 4.106 10.858 ( -8.889 -14.425 5.917) 17.947 10.858 ( -8.889 14.425 5.917) 17.947 11.145 ( 5.900 -10.043 -1.585) 11.755 11.145 ( 5.900 10.043 -1.585) 11.755 12.543 ( -0.658 -1.113 4.434) 4.619 12.543 ( -0.658 1.113 4.434) 4.619 12.689 ( -0.737 -0.360 4.499) 4.574 12.689 ( -0.737 0.360 4.499) 4.574 13.397 ( -10.369 -7.952 -9.193) 15.977 13.397 ( -10.369 7.952 -9.193) 15.977 13.695 ( 5.904 -12.958 12.225) 18.768 13.695 ( 5.904 12.958 12.225) 18.768 14.222 ( -4.970 -9.188 -2.478) 10.736 14.222 ( -4.970 9.188 -2.478) 10.736 14.510 ( 10.656 -8.159 -2.255) 13.609 14.510 ( 10.656 8.159 -2.255) 13.609 15.191 ( -4.702 -9.162 8.614) 13.426 15.191 ( -4.702 9.162 8.614) 13.426 15.591 ( 11.705 -7.780 -3.241) 14.424 15.591 ( 11.705 7.780 -3.241) 14.424 16.390 ( -9.615 -5.485 -3.397) 11.579 16.390 ( -9.615 5.485 -3.397) 11.579 17.045 ( 10.407 -2.656 -1.331) 10.823 17.045 ( 10.407 2.656 -1.331) 10.823 19.844 ( -18.476 -6.397 -30.736) 36.428 19.844 ( -18.476 6.397 -30.736) 36.428 20.411 ( 12.378 -9.918 12.035) 19.911 20.411 ( 12.378 9.918 12.035) 19.911 21.261 ( -4.761 -8.569 1.585) 9.930 21.261 ( -4.761 8.569 1.585) 9.930 21.778 ( 7.730 -3.750 1.651) 8.749 21.778 ( 7.730 3.750 1.651) 8.749 22.419 ( -4.369 -4.000 1.769) 6.182 22.419 ( -4.369 4.000 1.769) 6.182 22.957 ( 4.100 -1.945 -0.952) 4.636 22.957 ( 4.100 1.945 -0.952) 4.636 24.055 ( -5.455 -5.345 -2.806) 8.136 24.055 ( -5.455 5.345 -2.806) 8.136 24.295 ( 0.848 -4.615 4.222) 6.312 24.295 ( 0.848 4.615 4.222) 6.312 26.667 ( -7.867 -2.655 -2.403) 8.644 26.667 ( -7.867 2.655 -2.403) 8.644 27.209 ( 6.392 -2.301 4.021) 7.895 27.209 ( 6.392 2.301 4.021) 7.895 ======================= Grid point 220 (122/128) ======================= q-point: ( 0.22 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -2.813 -7.838 2.718) 8.760 1.657 ( -2.813 7.838 2.718) 8.760 2.272 ( -0.356 -5.956 0.260) 5.973 2.272 ( -0.356 5.956 0.260) 5.973 2.512 ( -7.737 -5.273 -6.681) 11.503 2.512 ( -7.737 5.273 -6.681) 11.503 2.796 ( -7.545 -16.223 1.654) 17.968 2.796 ( -7.545 16.223 1.654) 17.968 3.099 ( -6.163 -3.989 -10.474) 12.791 3.099 ( -6.163 3.989 -10.474) 12.791 3.466 ( -3.988 -8.802 -2.435) 9.965 3.466 ( -3.988 8.802 -2.435) 9.965 3.886 ( -1.725 -4.323 -4.213) 6.278 3.886 ( -1.725 4.323 -4.213) 6.278 4.471 ( 4.599 -5.474 7.368) 10.267 4.471 ( 4.599 5.474 7.368) 10.267 4.917 ( -6.702 -8.991 -3.309) 11.692 4.917 ( -6.702 8.991 -3.309) 11.692 5.343 ( 6.120 -11.291 -10.464) 16.566 5.343 ( 6.120 11.291 -10.464) 16.566 5.757 ( 6.547 -0.244 -1.411) 6.702 5.757 ( 6.547 0.244 -1.411) 6.702 6.054 ( 7.030 -9.582 -9.871) 15.449 6.054 ( 7.030 9.582 -9.871) 15.449 6.214 ( 7.201 -2.924 -3.553) 8.546 6.214 ( 7.201 2.924 -3.553) 8.546 6.603 ( 6.471 -7.383 1.018) 9.870 6.603 ( 6.471 7.383 1.018) 9.870 6.757 ( 5.009 -4.948 0.161) 7.043 6.757 ( 5.009 4.948 0.161) 7.043 7.141 ( 1.809 -6.622 5.557) 8.832 7.141 ( 1.809 6.622 5.557) 8.832 7.397 ( -8.979 -4.096 6.330) 11.724 7.397 ( -8.979 4.096 6.330) 11.724 7.567 ( -11.689 -7.815 7.234) 15.813 7.567 ( -11.689 7.815 7.234) 15.813 7.897 ( -1.573 -10.010 -2.126) 10.354 7.897 ( -1.573 10.010 -2.126) 10.354 8.263 ( -8.149 -7.428 4.344) 11.852 8.263 ( -8.149 7.428 4.344) 11.852 8.666 ( 4.802 -2.725 -2.306) 5.984 8.666 ( 4.802 2.725 -2.306) 5.984 8.996 ( 2.209 -6.150 -13.712) 15.190 8.996 ( 2.209 6.150 -13.712) 15.190 9.310 ( -3.681 -2.808 -3.762) 5.966 9.310 ( -3.681 2.808 -3.762) 5.966 9.806 ( -3.089 -9.601 -14.255) 17.462 9.806 ( -3.089 9.601 -14.255) 17.462 9.919 ( 5.560 -3.150 5.292) 8.297 9.919 ( 5.560 3.150 5.292) 8.297 10.310 ( -9.969 -8.054 -5.038) 13.771 10.310 ( -9.969 8.054 -5.038) 13.771 10.755 ( -7.432 -9.950 1.534) 12.513 10.755 ( -7.432 9.950 1.534) 12.513 11.272 ( 6.014 -5.295 5.486) 9.711 11.272 ( 6.014 5.295 5.486) 9.711 12.561 ( -2.308 -6.575 5.950) 9.163 12.561 ( -2.308 6.575 5.950) 9.163 12.795 ( 2.234 -4.000 11.419) 12.304 12.795 ( 2.234 4.000 11.419) 12.304 13.171 ( -6.581 -4.398 -7.084) 10.622 13.171 ( -6.581 4.398 -7.084) 10.622 13.881 ( 3.178 -12.763 10.100) 16.583 13.881 ( 3.178 12.763 10.100) 16.583 14.152 ( -2.759 -5.924 3.743) 7.531 14.152 ( -2.759 5.924 3.743) 7.531 14.681 ( 11.221 -8.650 -0.928) 14.198 14.681 ( 11.221 8.650 -0.928) 14.198 15.209 ( -1.787 -9.396 6.637) 11.641 15.209 ( -1.787 9.396 6.637) 11.641 15.819 ( 13.827 -6.202 3.367) 15.524 15.819 ( 13.827 6.202 3.367) 15.524 16.155 ( -10.819 -8.308 -8.090) 15.860 16.155 ( -10.819 8.308 -8.090) 15.860 17.191 ( 9.531 -2.151 -4.901) 10.931 17.191 ( 9.531 2.151 -4.901) 10.931 19.031 ( -27.938 -4.556 -53.653) 60.662 19.031 ( -27.938 4.556 -53.653) 60.662 20.684 ( 9.068 -5.594 7.486) 13.022 20.684 ( 9.068 5.594 7.486) 13.022 21.222 ( -3.208 -9.230 3.442) 10.361 21.222 ( -3.208 9.230 3.442) 10.361 21.945 ( 9.299 -2.272 1.346) 9.667 21.945 ( 9.299 2.272 1.346) 9.667 22.352 ( -5.379 -5.444 2.099) 7.936 22.352 ( -5.379 5.444 2.099) 7.936 23.034 ( 5.173 -3.794 0.579) 6.442 23.034 ( 5.173 3.794 0.579) 6.442 23.920 ( -6.201 -3.953 -2.936) 7.918 23.920 ( -6.201 3.953 -2.936) 7.918 24.353 ( -0.645 -5.259 6.515) 8.397 24.353 ( -0.645 5.259 6.515) 8.397 26.509 ( -7.045 -1.826 -2.498) 7.694 26.509 ( -7.045 1.826 -2.498) 7.694 27.363 ( 5.240 -2.755 5.379) 7.999 27.363 ( 5.240 2.755 5.379) 7.999 ======================= Grid point 222 (123/128) ======================= q-point: ( 0.33 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -6.292 -13.484 -2.749) 15.132 1.585 ( -6.292 13.484 -2.749) 15.132 2.086 ( -12.061 -2.910 -16.301) 20.486 2.086 ( -12.061 2.910 -16.301) 20.486 2.438 ( 4.002 -10.268 -1.869) 11.177 2.438 ( 4.002 10.268 -1.869) 11.177 2.732 ( -6.727 -1.388 1.448) 7.019 2.732 ( -6.727 1.388 1.448) 7.019 2.904 ( -1.232 -6.050 -5.216) 8.083 2.904 ( -1.232 6.050 -5.216) 8.083 3.416 ( -1.602 -8.698 0.718) 8.874 3.416 ( -1.602 8.698 0.718) 8.874 3.847 ( 0.050 -0.929 -3.256) 3.387 3.847 ( 0.050 0.929 -3.256) 3.387 4.557 ( -2.518 -6.815 4.859) 8.740 4.557 ( -2.518 6.815 4.859) 8.740 4.758 ( -4.195 -5.003 -7.004) 9.575 4.758 ( -4.195 5.003 -7.004) 9.575 5.349 ( 5.191 -7.267 -10.509) 13.791 5.349 ( 5.191 7.267 -10.509) 13.791 5.701 ( -1.846 -2.254 -14.310) 14.604 5.701 ( -1.846 2.254 -14.310) 14.604 6.123 ( 3.294 -6.655 -5.089) 9.002 6.123 ( 3.294 6.655 -5.089) 9.002 6.377 ( 13.817 -1.987 2.368) 14.159 6.377 ( 13.817 1.987 2.368) 14.159 6.593 ( -4.660 -6.458 1.820) 8.169 6.593 ( -4.660 6.458 1.820) 8.169 6.914 ( 10.011 -4.130 -2.396) 11.091 6.914 ( 10.011 4.130 -2.396) 11.091 7.179 ( -3.963 -7.103 5.203) 9.655 7.179 ( -3.963 7.103 5.203) 9.655 7.314 ( -3.577 -7.131 4.497) 9.158 7.314 ( -3.577 7.131 4.497) 9.158 7.486 ( -2.870 -1.219 1.271) 3.367 7.486 ( -2.870 1.219 1.271) 3.367 7.859 ( -4.596 -10.670 3.859) 12.242 7.859 ( -4.596 10.670 3.859) 12.242 8.176 ( -5.371 -7.999 3.707) 10.323 8.176 ( -5.371 7.999 3.707) 10.323 8.726 ( 6.884 -0.610 -7.048) 9.871 8.726 ( 6.884 0.610 -7.048) 9.871 8.860 ( -5.578 -1.896 -5.298) 7.923 8.860 ( -5.578 1.896 -5.298) 7.923 9.245 ( 0.018 -3.122 -5.552) 6.370 9.245 ( 0.018 3.122 -5.552) 6.370 9.590 ( -6.647 -1.660 -14.030) 15.614 9.590 ( -6.647 1.660 -14.030) 15.614 9.976 ( -3.652 -4.217 -4.554) 7.201 9.976 ( -3.652 4.217 -4.554) 7.201 10.207 ( 1.503 -9.428 6.861) 11.757 10.207 ( 1.503 9.428 6.861) 11.757 10.634 ( -5.661 -6.113 -2.606) 8.729 10.634 ( -5.661 6.113 -2.606) 8.729 11.420 ( 4.570 -2.279 6.210) 8.040 11.420 ( 4.570 2.279 6.210) 8.040 12.562 ( -5.785 -5.324 8.483) 11.567 12.562 ( -5.785 5.324 8.483) 11.567 12.928 ( 3.907 -2.218 5.686) 7.247 12.928 ( 3.907 2.218 5.686) 7.247 13.054 ( -2.301 -3.005 -2.952) 4.800 13.054 ( -2.301 3.005 -2.952) 4.800 13.973 ( 1.414 -6.165 3.248) 7.110 13.973 ( 1.414 6.165 3.248) 7.110 14.224 ( 0.300 -4.696 14.836) 15.565 14.224 ( 0.300 4.696 14.836) 15.565 14.870 ( 10.337 -8.474 2.275) 13.559 14.870 ( 10.337 8.474 2.275) 13.559 15.238 ( -0.808 -9.081 3.764) 9.863 15.238 ( -0.808 9.081 3.764) 9.863 15.882 ( -8.093 -8.963 -9.592) 15.421 15.882 ( -8.093 8.963 -9.592) 15.421 16.101 ( 10.715 -6.969 5.098) 13.761 16.101 ( 10.715 6.969 5.098) 13.761 17.263 ( 5.431 -1.661 -7.604) 9.491 17.263 ( 5.431 1.661 -7.604) 9.491 18.040 ( -26.805 -2.588 -55.830) 61.985 18.040 ( -26.805 2.588 -55.830) 61.985 20.876 ( 7.765 -3.790 4.357) 9.677 20.876 ( 7.765 3.790 4.357) 9.677 21.197 ( -2.814 -7.934 1.629) 8.575 21.197 ( -2.814 7.934 1.629) 8.575 22.094 ( 8.085 -2.173 -1.238) 8.462 22.094 ( 8.085 2.173 -1.238) 8.462 22.281 ( -5.507 -6.008 2.495) 8.524 22.281 ( -5.507 6.008 2.495) 8.524 23.134 ( 4.711 -4.162 2.214) 6.665 23.134 ( 4.711 4.162 2.214) 6.665 23.811 ( -4.204 -2.209 -1.439) 4.963 23.811 ( -4.204 2.209 -1.439) 4.963 24.385 ( -2.171 -3.649 5.964) 7.321 24.385 ( -2.171 3.649 5.964) 7.321 26.395 ( -4.413 -1.764 -1.320) 4.932 26.395 ( -4.413 1.764 -1.320) 4.932 27.467 ( 2.364 -2.668 3.464) 4.971 27.467 ( 2.364 2.668 3.464) 4.971 ======================= Grid point 224 (124/128) ======================= q-point: ( 0.44 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -8.161 -2.408 -23.854) 25.326 1.355 ( -8.161 2.408 -23.854) 25.326 1.747 ( -8.174 -7.754 -8.326) 14.009 1.747 ( -8.174 7.754 -8.326) 14.009 2.520 ( 3.159 -9.853 1.922) 10.524 2.520 ( 3.159 9.853 1.922) 10.524 2.656 ( -2.743 -3.683 6.741) 8.157 2.656 ( -2.743 3.683 6.741) 8.157 2.927 ( 3.426 -4.848 -3.135) 6.713 2.927 ( 3.426 4.848 -3.135) 6.713 3.409 ( -0.310 -3.963 1.008) 4.101 3.409 ( -0.310 3.963 1.008) 4.101 3.800 ( -2.190 -1.156 -3.395) 4.202 3.800 ( -2.190 1.156 -3.395) 4.202 4.486 ( -2.575 -5.852 -4.304) 7.707 4.486 ( -2.575 5.852 -4.304) 7.707 4.678 ( -1.880 -1.147 -2.683) 3.471 4.678 ( -1.880 1.147 -2.683) 3.471 5.284 ( -2.039 -4.216 -9.555) 10.641 5.284 ( -2.039 4.216 -9.555) 10.641 5.546 ( -2.771 -2.780 -9.000) 9.819 5.546 ( -2.771 2.780 -9.000) 9.819 6.062 ( -3.425 -2.369 -2.541) 4.878 6.062 ( -3.425 2.369 -2.541) 4.878 6.464 ( -3.472 -1.319 0.437) 3.739 6.464 ( -3.472 1.319 0.437) 3.739 6.730 ( 14.194 -9.291 4.081) 17.448 6.730 ( 14.194 9.291 4.081) 17.448 6.969 ( -3.211 -5.188 0.516) 6.124 6.969 ( -3.211 5.188 0.516) 6.124 7.147 ( -1.367 -6.424 3.392) 7.392 7.147 ( -1.367 6.424 3.392) 7.392 7.335 ( 0.462 -6.496 -0.807) 6.562 7.335 ( 0.462 6.496 -0.807) 6.562 7.497 ( 3.597 -0.830 -2.111) 4.252 7.497 ( 3.597 0.830 -2.111) 4.252 7.836 ( -1.113 -6.783 5.517) 8.814 7.836 ( -1.113 6.783 5.517) 8.814 8.153 ( -0.406 -3.957 0.830) 4.063 8.153 ( -0.406 3.957 0.830) 4.063 8.705 ( -9.200 -2.897 2.671) 10.008 8.705 ( -9.200 2.897 2.671) 10.009 8.795 ( 5.882 -3.432 -6.552) 9.450 8.795 ( 5.882 3.432 -6.552) 9.450 9.178 ( -1.296 -2.751 -6.084) 6.801 9.178 ( -1.296 2.751 -6.084) 6.801 9.391 ( -2.532 -6.734 -9.273) 11.736 9.391 ( -2.532 6.734 -9.273) 11.736 9.851 ( -4.987 -1.629 -2.426) 5.780 9.851 ( -4.987 1.629 -2.426) 5.780 10.320 ( -0.448 -7.227 8.972) 11.530 10.320 ( -0.448 7.227 8.972) 11.530 10.556 ( 2.643 -2.532 -7.027) 7.923 10.556 ( 2.643 2.532 -7.027) 7.923 11.525 ( 2.033 -0.348 4.223) 4.700 11.525 ( 2.033 0.348 4.223) 4.700 12.537 ( -3.836 -2.811 5.901) 7.578 12.537 ( -3.836 2.811 5.901) 7.578 13.004 ( 0.622 -3.721 -0.929) 3.885 13.004 ( 0.622 3.721 -0.929) 3.885 13.038 ( 2.468 -2.913 1.021) 3.952 13.038 ( 2.468 2.913 1.021) 3.952 14.016 ( 0.077 -1.428 3.499) 3.780 14.016 ( 0.077 1.428 3.499) 3.780 14.381 ( 1.087 -8.951 14.921) 17.434 14.381 ( 1.087 8.951 14.921) 17.434 15.043 ( 4.909 -4.116 3.609) 7.353 15.043 ( 4.909 4.117 3.609) 7.353 15.258 ( 2.692 -7.963 -0.546) 8.423 15.258 ( 2.692 7.963 -0.546) 8.423 15.704 ( -3.555 -8.312 -4.558) 10.125 15.704 ( -3.555 8.312 -4.558) 10.125 16.267 ( 3.649 -5.615 0.575) 6.721 16.267 ( 3.649 5.615 0.575) 6.721 17.110 ( -12.927 -1.544 -29.737) 32.462 17.110 ( -12.927 1.544 -29.737) 32.462 17.345 ( -3.747 -5.168 -15.414) 16.683 17.345 ( -3.747 5.168 -15.414) 16.683 21.028 ( 6.233 -5.769 2.592) 8.880 21.028 ( 6.233 5.769 2.592) 8.880 21.154 ( -2.638 -7.488 -0.775) 7.976 21.154 ( -2.638 7.488 -0.775) 7.976 22.196 ( 5.618 -2.795 -2.683) 6.824 22.196 ( 5.618 2.795 -2.683) 6.824 22.213 ( -4.616 -5.235 2.496) 7.413 22.213 ( -4.616 5.235 2.496) 7.413 23.215 ( 1.930 -2.553 2.391) 3.995 23.215 ( 1.930 2.553 2.391) 3.995 23.754 ( -1.481 -1.191 -0.604) 1.994 23.754 ( -1.481 1.191 -0.604) 1.994 24.399 ( -1.580 -0.551 4.628) 4.921 24.399 ( -1.580 0.551 4.628) 4.921 26.335 ( -1.753 -2.704 -0.407) 3.248 26.335 ( -1.753 2.704 -0.407) 3.248 27.514 ( 1.142 -1.989 1.129) 2.556 27.514 ( 1.142 1.989 1.129) 2.556 ======================= Grid point 226 (125/128) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -2.047 -3.895 -8.966) 9.988 1.044 ( -2.047 3.895 -8.966) 9.988 1.701 ( 4.782 -4.270 0.040) 6.411 1.701 ( 4.782 4.270 0.040) 6.411 2.553 ( -0.274 -4.627 0.984) 4.738 2.553 ( -0.274 4.627 0.984) 4.738 2.718 ( -0.291 -5.679 5.187) 7.697 2.718 ( -0.291 5.679 5.187) 7.697 2.902 ( -0.974 -3.338 -4.870) 5.983 2.902 ( -0.974 3.338 -4.870) 5.983 3.418 ( 1.108 -1.162 -0.610) 1.717 3.418 ( 1.108 1.162 -0.610) 1.717 3.737 ( -2.721 -1.661 1.062) 3.360 3.737 ( -2.721 1.661 1.062) 3.360 4.476 ( 7.138 -3.489 -4.823) 9.295 4.476 ( 7.138 3.489 -4.823) 9.295 4.635 ( -1.465 -1.226 1.092) 2.201 4.635 ( -1.465 1.226 1.092) 2.201 5.168 ( -5.383 -3.510 0.263) 6.432 5.168 ( -5.383 3.510 0.263) 6.432 5.420 ( -8.502 -1.409 2.610) 9.005 5.420 ( -8.502 1.409 2.610) 9.005 6.013 ( -1.559 -1.262 1.266) 2.372 6.013 ( -1.559 1.262 1.266) 2.372 6.463 ( 2.251 -2.274 0.552) 3.247 6.463 ( 2.251 2.274 0.552) 3.247 6.803 ( -9.889 -7.302 -1.745) 12.416 6.803 ( -9.889 7.302 -1.745) 12.416 6.932 ( -0.959 -2.614 2.947) 4.055 6.932 ( -0.959 2.614 2.947) 4.055 7.198 ( 5.160 -2.383 1.235) 5.817 7.198 ( 5.160 2.383 1.235) 5.817 7.321 ( -0.587 -6.625 -1.574) 6.834 7.321 ( -0.587 6.625 -1.574) 6.834 7.512 ( 2.027 -2.530 -2.484) 4.084 7.512 ( 2.027 2.530 -2.484) 4.084 7.932 ( 8.136 -4.664 -3.058) 9.864 7.932 ( 8.136 4.664 -3.058) 9.864 8.160 ( 1.300 -2.456 -0.367) 2.803 8.160 ( 1.300 2.456 -0.367) 2.803 8.574 ( -9.584 -0.812 8.694) 12.965 8.574 ( -9.584 0.812 8.694) 12.965 8.863 ( 7.060 -3.594 -5.041) 9.389 8.863 ( 7.060 3.594 -5.041) 9.389 9.142 ( 2.083 -4.165 -1.879) 5.022 9.142 ( 2.083 4.165 -1.879) 5.022 9.300 ( -2.059 -2.686 -3.907) 5.169 9.300 ( -2.059 2.686 -3.907) 5.169 9.805 ( 0.137 -3.617 2.259) 4.267 9.805 ( 0.137 3.617 2.259) 4.267 10.332 ( -5.979 -7.625 7.108) 12.017 10.332 ( -5.979 7.625 7.108) 12.017 10.585 ( 8.246 -5.480 -8.972) 13.361 10.585 ( 8.246 5.480 -8.972) 13.361 11.559 ( -1.008 -1.366 1.160) 2.056 11.559 ( -1.008 1.366 1.160) 2.056 12.579 ( 4.753 -1.001 2.584) 5.502 12.579 ( 4.753 1.001 2.584) 5.502 12.995 ( -0.578 -1.061 -0.141) 1.217 12.995 ( -0.578 1.061 -0.141) 1.217 13.067 ( 0.795 -2.221 -2.574) 3.491 13.067 ( 0.795 2.221 -2.574) 3.491 14.028 ( -2.437 -2.480 2.949) 4.559 14.028 ( -2.437 2.480 2.949) 4.559 14.496 ( -0.538 -5.617 7.218) 9.162 14.496 ( -0.538 5.617 7.218) 9.162 15.088 ( 1.500 -1.594 -0.092) 2.191 15.088 ( 1.500 1.594 -0.092) 2.191 15.295 ( 2.066 -1.651 -6.767) 7.266 15.295 ( 2.066 1.651 -6.767) 7.266 15.686 ( 0.172 -2.389 2.038) 3.145 15.686 ( 0.172 2.389 2.038) 3.145 16.227 ( -1.786 -0.165 -2.687) 3.231 16.227 ( -1.786 0.165 -2.687) 3.231 16.780 ( -3.396 -1.246 -3.286) 4.887 16.780 ( -3.396 1.246 -3.286) 4.887 17.252 ( -2.773 -1.325 -2.101) 3.723 17.252 ( -2.773 1.325 -2.101) 3.723 21.058 ( -4.572 -5.498 -0.614) 7.177 21.058 ( -4.572 5.498 -0.614) 7.177 21.167 ( 6.324 -6.489 -1.630) 9.206 21.167 ( 6.324 6.489 -1.630) 9.206 22.137 ( -6.042 -3.811 2.658) 7.622 22.137 ( -6.042 3.811 2.658) 7.622 22.273 ( 5.588 -3.767 -3.068) 7.405 22.273 ( 5.588 3.767 -3.068) 7.405 23.228 ( -2.543 -0.809 1.261) 2.952 23.228 ( -2.543 0.809 1.261) 2.952 23.747 ( 0.994 -0.733 -0.122) 1.241 23.747 ( 0.994 0.733 -0.122) 1.241 24.423 ( 0.593 -4.101 2.526) 4.853 24.423 ( 0.593 4.101 2.526) 4.853 26.330 ( 1.253 -3.600 0.184) 3.816 26.330 ( 1.253 3.600 0.184) 3.816 27.534 ( 1.064 -1.109 -0.720) 1.697 27.534 ( 1.064 1.109 -0.720) 1.697 ======================= Grid point 228 (126/128) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 10.952 -6.464 24.287) 27.415 1.229 ( 10.952 6.464 24.287) 27.415 1.855 ( 11.207 -13.470 2.041) 17.641 1.855 ( 11.207 13.470 2.041) 17.641 2.465 ( -9.512 -9.398 -2.365) 13.580 2.465 ( -9.512 9.398 -2.365) 13.580 2.735 ( -0.608 -11.221 1.841) 11.387 2.735 ( -0.608 11.221 1.841) 11.387 2.897 ( 6.661 -5.442 -2.231) 8.886 2.897 ( 6.661 5.442 -2.231) 8.886 3.434 ( 1.441 -2.330 -0.882) 2.878 3.434 ( 1.441 2.330 -0.882) 2.878 3.737 ( -2.164 -2.643 6.355) 7.215 3.737 ( -2.164 2.643 6.355) 7.215 4.615 ( 6.897 -10.249 0.723) 12.375 4.615 ( 6.897 10.249 0.723) 12.375 4.655 ( 4.501 -6.407 0.504) 7.846 4.655 ( 4.501 6.407 0.504) 7.846 5.119 ( -5.580 -6.277 8.993) 12.305 5.119 ( -5.580 6.277 8.993) 12.305 5.367 ( -4.387 -2.003 13.897) 14.710 5.367 ( -4.387 2.003 13.897) 14.710 6.005 ( -3.800 -3.250 4.108) 6.471 6.005 ( -3.800 3.250 4.108) 6.471 6.406 ( -14.159 -3.142 0.679) 14.519 6.406 ( -14.159 3.142 0.679) 14.519 6.633 ( -4.135 -6.022 -1.469) 7.451 6.633 ( -4.135 6.022 -1.469) 7.451 6.882 ( -4.153 -6.059 -0.112) 7.346 6.882 ( -4.153 6.059 -0.112) 7.346 7.281 ( 0.480 -11.523 -2.724) 11.850 7.281 ( 0.480 11.523 -2.724) 11.850 7.346 ( 8.694 -3.983 1.443) 9.671 7.346 ( 8.694 3.983 1.443) 9.671 7.551 ( 6.347 -4.319 -4.446) 8.872 7.551 ( 6.347 4.319 -4.446) 8.872 7.952 ( -0.826 -8.444 -4.401) 9.558 7.952 ( -0.826 8.444 -4.401) 9.558 8.247 ( 8.850 -5.695 -1.841) 10.684 8.247 ( 8.850 5.695 -1.841) 10.684 8.553 ( -2.183 -0.769 6.515) 6.914 8.553 ( -2.183 0.769 6.515) 6.914 8.866 ( -2.264 -2.158 -2.841) 4.225 8.866 ( -2.264 2.158 -2.841) 4.225 9.210 ( 5.362 -0.570 -3.028) 6.184 9.210 ( 5.362 0.570 -3.028) 6.184 9.305 ( 2.372 -3.570 10.301) 11.157 9.305 ( 2.372 3.570 10.301) 11.157 9.876 ( 3.556 -4.426 4.417) 7.194 9.876 ( 3.556 4.426 4.417) 7.194 10.269 ( -5.821 -8.134 2.104) 10.221 10.269 ( -5.821 8.134 2.104) 10.221 10.664 ( 9.569 -6.210 -5.890) 12.838 10.664 ( 9.569 6.210 -5.890) 12.838 11.512 ( -4.007 -2.950 -2.027) 5.373 11.512 ( -4.007 2.950 -2.027) 5.373 12.719 ( 10.333 -1.685 -3.696) 11.103 12.719 ( 10.333 1.685 -3.696) 11.103 12.971 ( -2.387 -0.430 -0.591) 2.497 12.971 ( -2.387 0.430 -0.591) 2.497 13.037 ( 0.056 -3.120 -2.133) 3.780 13.037 ( 0.056 3.120 -2.133) 3.780 13.994 ( -3.343 -5.704 1.279) 6.734 13.994 ( -3.343 5.704 1.279) 6.734 14.483 ( -2.090 -1.698 -3.751) 4.617 14.483 ( -2.090 1.698 -3.751) 4.617 15.032 ( -6.517 -5.402 -12.782) 15.331 15.032 ( -6.517 5.402 -12.782) 15.331 15.263 ( 3.075 -7.960 -0.545) 8.551 15.263 ( 3.075 7.960 -0.545) 8.551 15.712 ( 3.334 -6.282 4.096) 8.207 15.712 ( 3.334 6.282 4.096) 8.207 16.205 ( -5.298 -5.949 -2.087) 8.234 16.205 ( -5.298 5.949 -2.087) 8.234 16.940 ( 7.528 -4.683 26.388) 27.837 16.940 ( 7.528 4.683 26.388) 27.837 17.229 ( 0.680 -2.245 10.588) 10.845 17.229 ( 0.680 2.245 10.588) 10.845 20.946 ( -6.470 -3.758 -2.761) 7.975 20.946 ( -6.470 3.758 -2.761) 7.975 21.254 ( 6.326 -7.986 -3.260) 10.697 21.254 ( 6.326 7.986 -3.260) 10.697 22.054 ( -6.502 -2.298 2.189) 7.235 22.054 ( -6.502 2.298 2.189) 7.235 22.335 ( 4.903 -4.115 -2.547) 6.889 22.335 ( 4.903 4.115 -2.547) 6.889 23.159 ( -5.979 -3.073 0.046) 6.722 23.159 ( -5.979 3.073 0.046) 6.722 23.783 ( 2.885 -0.691 0.872) 3.092 23.783 ( 2.885 0.691 0.872) 3.092 24.458 ( 2.014 -7.964 -0.503) 8.231 24.458 ( 2.014 7.964 -0.503) 8.231 26.378 ( 4.009 -4.108 0.435) 5.756 26.378 ( 4.009 4.108 0.435) 5.756 27.532 ( 0.114 -1.034 -2.535) 2.741 27.532 ( 0.114 1.034 -2.535) 2.741 ======================= Grid point 230 (127/128) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 7.818 -3.617 13.538) 16.046 1.613 ( 7.818 3.617 13.538) 16.046 2.108 ( 11.337 -5.529 12.928) 18.062 2.108 ( 11.337 5.529 12.928) 18.062 2.288 ( -10.682 -8.160 4.723) 14.248 2.288 ( -10.682 8.160 4.723) 14.248 2.750 ( 1.763 -15.828 4.558) 16.565 2.750 ( 1.763 15.828 4.558) 16.565 3.075 ( 13.748 -6.228 -2.665) 15.326 3.075 ( 13.748 6.228 -2.665) 15.326 3.460 ( 3.963 -5.435 -1.864) 6.980 3.460 ( 3.963 5.435 -1.864) 6.980 3.761 ( -2.156 -4.891 7.703) 9.376 3.761 ( -2.156 4.891 7.703) 9.376 4.562 ( -7.537 -3.668 -1.165) 8.462 4.562 ( -7.537 3.668 -1.165) 8.462 4.864 ( 13.105 -3.026 1.652) 13.551 4.864 ( 13.105 3.026 1.652) 13.551 5.118 ( -4.995 -6.392 9.123) 12.208 5.118 ( -4.995 6.392 9.123) 12.208 5.541 ( 4.739 -0.970 17.603) 18.255 5.541 ( 4.739 0.970 17.603) 18.255 5.918 ( -9.795 -11.621 2.883) 15.469 5.918 ( -9.795 11.621 2.883) 15.469 6.153 ( -12.800 -2.724 2.097) 13.254 6.153 ( -12.800 2.724 2.097) 13.254 6.539 ( -10.120 -8.047 4.274) 13.618 6.539 ( -10.120 8.047 4.274) 13.618 6.831 ( 0.590 -8.756 -4.780) 9.994 6.831 ( 0.590 8.756 -4.780) 9.994 7.246 ( -2.501 -6.386 -2.678) 7.362 7.246 ( -2.501 6.386 -2.678) 7.362 7.494 ( 6.500 -3.664 -1.323) 7.578 7.494 ( 6.500 3.664 -1.323) 7.578 7.682 ( 14.054 -6.356 -3.960) 15.925 7.682 ( 14.054 6.356 -3.960) 15.925 7.890 ( -2.083 -7.886 -1.087) 8.228 7.890 ( -2.083 7.886 -1.087) 8.228 8.330 ( 2.330 -4.268 -1.867) 5.209 8.330 ( 2.330 4.268 -1.867) 5.209 8.605 ( 1.121 -4.088 4.904) 6.482 8.605 ( 1.121 4.088 4.904) 6.482 8.814 ( -0.644 -3.220 -0.199) 3.290 8.814 ( -0.644 3.220 -0.199) 3.290 9.264 ( 3.883 -2.827 0.329) 4.815 9.264 ( 3.883 2.827 0.329) 4.815 9.499 ( 5.014 -9.921 13.312) 17.343 9.499 ( 5.014 9.921 13.312) 17.343 9.950 ( -0.353 -4.153 1.932) 4.594 9.950 ( -0.353 4.153 1.932) 4.594 10.233 ( 2.014 -7.183 1.959) 7.713 10.233 ( 2.014 7.183 1.959) 7.713 10.793 ( 9.360 -6.563 -2.230) 11.647 10.793 ( 9.360 6.563 -2.230) 11.647 11.393 ( -6.200 -4.870 -4.680) 9.168 11.393 ( -6.200 4.870 -4.680) 9.168 12.739 ( -1.171 -6.454 -10.186) 12.115 12.739 ( -1.171 6.454 -10.186) 12.115 12.970 ( 4.045 -3.075 -3.614) 6.235 12.970 ( 4.045 3.075 -3.614) 6.235 13.058 ( 2.969 -5.440 2.359) 6.631 13.058 ( 2.969 5.440 2.359) 6.631 13.954 ( -2.111 -11.531 0.114) 11.723 13.954 ( -2.111 11.531 0.114) 11.723 14.387 ( -1.005 -1.521 -10.455) 10.613 14.387 ( -1.005 1.521 -10.455) 10.613 14.748 ( -11.373 -8.331 -10.127) 17.358 14.748 ( -11.373 8.331 -10.127) 17.358 15.293 ( 0.660 -10.532 -2.214) 10.783 15.293 ( 0.660 10.532 -2.214) 10.783 15.915 ( 7.016 -6.535 6.623) 11.652 15.915 ( 7.016 6.535 6.623) 11.652 15.992 ( -7.482 -6.270 -4.517) 10.756 15.992 ( -7.482 6.270 -4.517) 10.756 17.050 ( -7.721 -2.275 8.437) 11.661 17.050 ( -7.721 2.275 8.437) 11.661 17.849 ( 28.258 -5.286 53.149) 60.426 17.849 ( 28.258 5.286 53.149) 60.426 20.798 ( -7.156 -2.975 -4.066) 8.752 20.798 ( -7.156 2.975 -4.066) 8.752 21.319 ( 5.874 -8.668 -5.150) 11.669 21.319 ( 5.874 8.668 -5.150) 11.669 21.952 ( -7.333 -1.228 0.586) 7.458 21.952 ( -7.333 1.228 0.586) 7.458 22.393 ( 4.276 -3.458 -1.664) 5.746 22.393 ( 4.276 3.458 -1.664) 5.746 23.047 ( -6.455 -4.136 -0.414) 7.677 23.047 ( -6.455 4.136 -0.414) 7.677 23.860 ( 4.315 -1.842 2.502) 5.317 23.860 ( 4.315 1.842 2.502) 5.317 24.467 ( 1.059 -10.047 -3.795) 10.792 24.467 ( 1.059 10.047 -3.795) 10.792 26.470 ( 6.146 -4.215 0.912) 7.508 26.470 ( 6.146 4.215 0.912) 7.508 27.476 ( -3.233 -1.124 -4.708) 5.821 27.476 ( -3.233 1.124 -4.708) 5.821 ======================= Grid point 232 (128/128) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -0.591 -2.810 -0.773) 2.974 1.705 ( -0.591 2.810 -0.773) 2.974 2.192 ( -6.328 -7.931 7.360) 12.535 2.192 ( -6.328 7.931 7.360) 12.535 2.434 ( 6.514 -10.365 17.467) 21.329 2.434 ( 6.514 10.365 17.467) 21.329 2.923 ( 9.645 -21.470 9.207) 25.274 2.923 ( 9.645 21.470 9.207) 25.274 3.217 ( 5.715 -8.022 -1.913) 10.034 3.217 ( 5.715 8.022 -1.913) 10.034 3.524 ( 3.156 -9.409 -2.003) 10.124 3.524 ( 3.156 9.409 -2.003) 10.124 3.850 ( 4.891 -6.462 8.447) 11.706 3.850 ( 4.891 6.462 8.447) 11.706 4.397 ( -7.972 -2.379 -4.280) 9.356 4.397 ( -7.972 2.379 -4.280) 9.356 5.060 ( 3.500 -0.611 4.973) 6.112 5.060 ( 3.500 0.611 4.973) 6.112 5.123 ( 1.132 -7.266 3.044) 7.958 5.123 ( 1.132 7.266 3.044) 7.958 5.670 ( -0.768 -1.980 1.905) 2.854 5.670 ( -0.768 1.980 1.905) 2.854 5.841 ( -5.556 -11.891 5.360) 14.178 5.841 ( -5.556 11.891 5.360) 14.178 6.080 ( 1.669 -2.199 7.951) 8.416 6.080 ( 1.669 2.199 7.951) 8.416 6.403 ( -8.347 -6.236 2.636) 10.747 6.403 ( -8.347 6.236 2.636) 10.747 6.783 ( -1.484 -5.816 -5.076) 7.861 6.783 ( -1.484 5.816 -5.076) 7.861 7.139 ( -6.029 -3.382 -3.526) 7.760 7.139 ( -6.029 3.382 -3.526) 7.760 7.570 ( 5.326 -5.966 -2.175) 8.288 7.570 ( 5.326 5.966 -2.175) 8.288 7.737 ( -5.231 -5.968 -0.392) 7.946 7.737 ( -5.231 5.968 -0.392) 7.946 8.009 ( 14.626 -7.510 -0.677) 16.455 8.009 ( 14.626 7.510 -0.677) 16.455 8.321 ( -1.846 -2.640 0.132) 3.224 8.321 ( -1.846 2.640 0.132) 3.224 8.627 ( -5.945 -6.149 8.735) 12.225 8.627 ( -5.945 6.149 8.735) 12.225 8.849 ( 6.279 -1.857 -4.375) 7.875 8.849 ( 6.279 1.857 -4.375) 7.875 9.357 ( 4.718 -5.469 3.742) 8.134 9.357 ( 4.718 5.469 3.742) 8.134 9.662 ( -0.607 -7.342 9.513) 12.032 9.662 ( -0.607 7.342 9.513) 12.032 9.946 ( 4.382 -3.424 -1.378) 5.729 9.946 ( 4.382 3.424 -1.378) 5.729 10.359 ( 5.585 -1.528 5.964) 8.312 10.359 ( 5.585 1.528 5.964) 8.312 10.900 ( 3.685 -5.692 -0.342) 6.790 10.900 ( 3.685 5.692 -0.342) 6.790 11.240 ( -4.817 -8.698 -6.728) 12.006 11.240 ( -4.817 8.698 -6.728) 12.006 12.601 ( -5.021 -7.495 -4.725) 10.184 12.601 ( -5.021 7.495 -4.725) 10.184 12.918 ( -1.282 -7.832 -11.908) 14.311 12.918 ( -1.282 7.832 -11.908) 14.311 13.209 ( 8.524 -9.540 7.103) 14.633 13.209 ( 8.524 9.540 7.103) 14.633 13.892 ( -4.987 -16.089 -4.309) 17.386 13.892 ( -4.987 16.089 -4.309) 17.386 14.295 ( 2.816 -2.795 -9.431) 10.231 14.295 ( 2.816 2.795 -9.431) 10.231 14.516 ( -8.612 -6.945 -3.237) 11.528 14.516 ( -8.612 6.945 -3.237) 11.528 15.262 ( -2.709 -9.250 0.347) 9.645 15.262 ( -2.709 9.250 0.347) 9.645 15.677 ( -9.574 -7.413 -10.286) 15.887 15.677 ( -9.574 7.413 -10.286) 15.887 16.261 ( 13.449 -6.918 8.823) 17.509 16.261 ( 13.449 6.918 8.823) 17.509 16.972 ( -8.153 -2.553 5.390) 10.102 16.972 ( -8.153 2.553 5.390) 10.102 18.877 ( 30.932 -10.582 54.530) 63.579 18.877 ( 30.932 10.582 54.530) 63.579 20.633 ( -6.725 -4.726 -6.984) 10.786 20.633 ( -6.725 4.726 -6.984) 10.786 21.357 ( 4.707 -8.455 -6.290) 11.542 21.357 ( 4.707 8.455 -6.290) 11.542 21.816 ( -7.882 -1.423 -1.556) 8.159 21.816 ( -7.882 1.423 -1.556) 8.159 22.443 ( 2.457 -1.460 -0.418) 2.888 22.443 ( 2.457 1.460 -0.418) 2.888 22.953 ( -3.720 -3.258 -0.557) 4.976 22.953 ( -3.720 3.258 -0.557) 4.976 23.969 ( 4.692 -3.167 4.331) 7.128 23.969 ( 4.692 3.167 4.331) 7.128 24.417 ( -1.592 -9.842 -6.183) 11.731 24.417 ( -1.592 9.842 -6.183) 11.731 26.601 ( 7.357 -3.866 2.509) 8.682 26.601 ( 7.357 3.866 2.509) 8.682 27.335 ( -7.172 -0.951 -6.303) 9.595 27.335 ( -7.172 0.951 -6.303) 9.595 =================== 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 3/36288 10.0 39.309 34.515 83.992 0.000 -10.661 0.000 3/36288 20.0 10.010 14.041 25.886 0.000 1.941 0.000 3/36288 30.0 5.739 8.100 14.072 0.000 1.440 0.000 3/36288 40.0 4.162 5.743 9.618 0.000 1.034 0.000 3/36288 50.0 3.357 4.444 7.347 0.000 0.788 0.000 3/36288 60.0 2.867 3.617 5.965 0.000 0.627 0.000 3/36288 70.0 2.534 3.052 5.033 0.000 0.516 0.000 3/36288 80.0 2.291 2.645 4.367 0.000 0.434 0.000 3/36288 90.0 2.103 2.343 3.870 0.000 0.374 0.000 3/36288 100.0 1.951 2.110 3.489 0.000 0.329 0.000 3/36288 110.0 1.827 1.925 3.189 0.000 0.295 0.000 3/36288 120.0 1.721 1.775 2.950 0.000 0.270 0.000 3/36288 130.0 1.631 1.651 2.754 0.000 0.252 0.000 3/36288 140.0 1.552 1.546 2.593 0.000 0.239 0.000 3/36288 150.0 1.483 1.456 2.457 0.000 0.229 0.000 3/36288 160.0 1.421 1.378 2.341 0.000 0.223 0.000 3/36288 170.0 1.365 1.309 2.240 0.000 0.218 0.000 3/36288 180.0 1.315 1.248 2.152 0.000 0.214 0.000 3/36288 190.0 1.269 1.193 2.073 0.000 0.211 0.000 3/36288 200.0 1.227 1.143 2.002 0.000 0.209 0.000 3/36288 210.0 1.188 1.098 1.938 0.000 0.208 0.000 3/36288 220.0 1.151 1.057 1.878 0.000 0.206 0.000 3/36288 230.0 1.117 1.019 1.823 0.000 0.204 0.000 3/36288 240.0 1.085 0.983 1.772 0.000 0.203 0.000 3/36288 250.0 1.055 0.951 1.724 0.000 0.201 0.000 3/36288 260.0 1.027 0.920 1.679 0.000 0.199 0.000 3/36288 270.0 1.000 0.892 1.637 0.000 0.198 0.000 3/36288 280.0 0.974 0.865 1.596 0.000 0.196 0.000 3/36288 290.0 0.950 0.840 1.558 0.000 0.194 0.000 3/36288 300.0 0.927 0.817 1.521 0.000 0.192 0.000 3/36288 310.0 0.905 0.794 1.486 0.000 0.190 0.000 3/36288 320.0 0.884 0.773 1.452 0.000 0.187 0.000 3/36288 330.0 0.863 0.753 1.420 0.000 0.185 0.000 3/36288 340.0 0.844 0.734 1.389 0.000 0.183 0.000 3/36288 350.0 0.825 0.716 1.360 0.000 0.181 0.000 3/36288 360.0 0.808 0.699 1.331 0.000 0.178 0.000 3/36288 370.0 0.790 0.683 1.304 0.000 0.176 0.000 3/36288 380.0 0.774 0.667 1.277 0.000 0.174 0.000 3/36288 390.0 0.758 0.652 1.252 0.000 0.171 0.000 3/36288 400.0 0.743 0.638 1.227 0.000 0.169 0.000 3/36288 410.0 0.728 0.624 1.204 0.000 0.167 0.000 3/36288 420.0 0.714 0.611 1.181 0.000 0.164 0.000 3/36288 430.0 0.700 0.599 1.159 0.000 0.162 0.000 3/36288 440.0 0.687 0.587 1.137 0.000 0.160 0.000 3/36288 450.0 0.674 0.575 1.117 0.000 0.158 0.000 3/36288 460.0 0.662 0.564 1.097 0.000 0.156 0.000 3/36288 470.0 0.650 0.553 1.078 0.000 0.153 0.000 3/36288 480.0 0.639 0.543 1.059 0.000 0.151 0.000 3/36288 490.0 0.628 0.533 1.041 0.000 0.149 0.000 3/36288 500.0 0.617 0.523 1.023 0.000 0.147 0.000 3/36288 510.0 0.606 0.514 1.006 0.000 0.145 0.000 3/36288 520.0 0.596 0.505 0.990 0.000 0.143 0.000 3/36288 530.0 0.587 0.496 0.974 0.000 0.141 0.000 3/36288 540.0 0.577 0.488 0.958 0.000 0.139 0.000 3/36288 550.0 0.568 0.480 0.943 0.000 0.138 0.000 3/36288 560.0 0.559 0.472 0.928 0.000 0.136 0.000 3/36288 570.0 0.550 0.464 0.914 0.000 0.134 0.000 3/36288 580.0 0.542 0.457 0.900 0.000 0.132 0.000 3/36288 590.0 0.534 0.450 0.887 0.000 0.130 0.000 3/36288 600.0 0.526 0.443 0.874 0.000 0.129 0.000 3/36288 610.0 0.518 0.436 0.861 0.000 0.127 0.000 3/36288 620.0 0.511 0.429 0.849 0.000 0.125 0.000 3/36288 630.0 0.503 0.423 0.837 0.000 0.124 0.000 3/36288 640.0 0.496 0.417 0.825 0.000 0.122 0.000 3/36288 650.0 0.489 0.411 0.814 0.000 0.121 0.000 3/36288 660.0 0.482 0.405 0.803 0.000 0.119 0.000 3/36288 670.0 0.476 0.399 0.792 0.000 0.118 0.000 3/36288 680.0 0.470 0.394 0.781 0.000 0.117 0.000 3/36288 690.0 0.463 0.389 0.771 0.000 0.115 0.000 3/36288 700.0 0.457 0.383 0.761 0.000 0.114 0.000 3/36288 710.0 0.451 0.378 0.751 0.000 0.112 0.000 3/36288 720.0 0.446 0.373 0.742 0.000 0.111 0.000 3/36288 730.0 0.440 0.368 0.732 0.000 0.110 0.000 3/36288 740.0 0.434 0.364 0.723 0.000 0.109 0.000 3/36288 750.0 0.429 0.359 0.714 0.000 0.107 0.000 3/36288 760.0 0.424 0.355 0.706 0.000 0.106 0.000 3/36288 770.0 0.419 0.350 0.697 0.000 0.105 0.000 3/36288 780.0 0.414 0.346 0.689 0.000 0.104 0.000 3/36288 790.0 0.409 0.342 0.681 0.000 0.103 0.000 3/36288 800.0 0.404 0.338 0.673 0.000 0.102 0.000 3/36288 810.0 0.399 0.334 0.665 0.000 0.100 0.000 3/36288 820.0 0.395 0.330 0.658 0.000 0.099 0.000 3/36288 830.0 0.390 0.326 0.650 0.000 0.098 0.000 3/36288 840.0 0.386 0.322 0.643 0.000 0.097 0.000 3/36288 850.0 0.382 0.319 0.636 0.000 0.096 0.000 3/36288 860.0 0.377 0.315 0.629 0.000 0.095 0.000 3/36288 870.0 0.373 0.312 0.622 0.000 0.094 0.000 3/36288 880.0 0.369 0.308 0.616 0.000 0.093 0.000 3/36288 890.0 0.365 0.305 0.609 0.000 0.092 0.000 3/36288 900.0 0.362 0.302 0.603 0.000 0.092 0.000 3/36288 910.0 0.358 0.298 0.596 0.000 0.091 0.000 3/36288 920.0 0.354 0.295 0.590 0.000 0.090 0.000 3/36288 930.0 0.350 0.292 0.584 0.000 0.089 0.000 3/36288 940.0 0.347 0.289 0.578 0.000 0.088 0.000 3/36288 950.0 0.343 0.286 0.573 0.000 0.087 0.000 3/36288 960.0 0.340 0.283 0.567 0.000 0.086 0.000 3/36288 970.0 0.337 0.281 0.561 0.000 0.086 0.000 3/36288 980.0 0.333 0.278 0.556 0.000 0.085 0.000 3/36288 990.0 0.330 0.275 0.551 0.000 0.084 0.000 3/36288 1000.0 0.327 0.272 0.545 0.000 0.083 0.000 3/36288 Thermal conductivity related properties were written into "kappa-m967.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:28:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|