----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:35:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.542814675635059 -5.061509905000000 0.000000000000000 b 6.542814675635059 5.061509905000000 0.000000000000000 c -0.099637634310696 0.000000000000000 6.607819288876737 Atomic positions (fractional): *1 Al 0.17138799976967 0.41860258695305 0.08044422030661 26.982 2 Al 0.58139741304695 0.82861200023033 0.41955577969339 26.982 3 Al 0.82861200023033 0.58139741304695 0.91955577969339 26.982 4 Al 0.41860258695305 0.17138799976967 0.58044422030661 26.982 *5 P 0.94037967344988 0.29366589998078 0.02523253010428 30.974 6 P 0.70633410001922 0.05962032655012 0.47476746989572 30.974 *7 P 0.74082278402677 0.57951711529723 0.57603203394076 30.974 8 P 0.42048288470277 0.25917721597323 0.92396796605924 30.974 9 P 0.25917721597323 0.42048288470277 0.42396796605924 30.974 10 P 0.57951711529723 0.74082278402677 0.07603203394076 30.974 11 P 0.29366589998078 0.94037967344988 0.52523253010428 30.974 12 P 0.05962032655012 0.70633410001922 0.97476746989572 30.974 *13 Sr 0.74766101452130 0.00775238692336 0.95762155838407 87.620 14 Sr 0.99224761307664 0.25233898547870 0.54237844161593 87.620 15 Sr 0.25233898547869 0.99224761307663 0.04237844161593 87.620 16 Sr 0.00775238692336 0.74766101452130 0.45762155838407 87.620 *17 Sr 0.59790624714900 0.40209375285100 0.25000000000000 87.620 18 Sr 0.40209375285100 0.59790624714900 0.75000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.085629351270118 0.000000000000000 0.000000000000000 b 0.000000000000000 10.123019810000001 0.000000000000000 c -0.099637634310696 0.000000000000000 6.607819288876737 Atomic positions (fractional): *1 Al 0.29499529336136 0.12360729359169 0.08044422030661 26.982 > 1 2 Al 0.70500470663864 0.12360729359169 0.41955577969339 26.982 > 2 3 Al 0.70500470663864 0.87639270640831 0.91955577969339 26.982 > 3 4 Al 0.29499529336136 0.87639270640831 0.58044422030661 26.982 > 4 5 Al 0.79499529336136 0.62360729359169 0.08044422030661 26.982 > 1 6 Al 0.20500470663864 0.62360729359169 0.41955577969339 26.982 > 2 7 Al 0.20500470663864 0.37639270640831 0.91955577969339 26.982 > 3 8 Al 0.79499529336136 0.37639270640831 0.58044422030661 26.982 > 4 *9 P 0.61702278671533 0.67664311326545 0.02523253010428 30.974 > 5 10 P 0.38297721328467 0.67664311326545 0.47476746989572 30.974 > 6 *11 P 0.66016994966200 0.91934716563523 0.57603203394076 30.974 > 7 12 P 0.33983005033800 0.91934716563523 0.92396796605924 30.974 > 8 13 P 0.33983005033800 0.08065283436477 0.42396796605924 30.974 > 9 14 P 0.66016994966200 0.08065283436477 0.07603203394076 30.974 > 10 15 P 0.61702278671533 0.32335688673455 0.52523253010428 30.974 > 11 16 P 0.38297721328467 0.32335688673455 0.97476746989572 30.974 > 12 17 P 0.11702278671533 0.17664311326545 0.02523253010428 30.974 > 5 18 P 0.88297721328467 0.17664311326545 0.47476746989572 30.974 > 6 19 P 0.16016994966200 0.41934716563523 0.57603203394076 30.974 > 7 20 P 0.83983005033800 0.41934716563523 0.92396796605924 30.974 > 8 21 P 0.83983005033800 0.58065283436477 0.42396796605924 30.974 > 9 22 P 0.16016994966200 0.58065283436477 0.07603203394076 30.974 > 10 23 P 0.11702278671533 0.82335688673455 0.52523253010428 30.974 > 11 24 P 0.88297721328467 0.82335688673455 0.97476746989572 30.974 > 12 *25 Sr 0.37770670072233 0.63004568620103 0.95762155838407 87.620 > 13 26 Sr 0.62229329927766 0.63004568620103 0.54237844161593 87.620 > 14 27 Sr 0.62229329927766 0.36995431379897 0.04237844161593 87.620 > 15 28 Sr 0.37770670072233 0.36995431379897 0.45762155838407 87.620 > 16 *29 Sr 0.50000000000000 0.90209375285100 0.25000000000000 87.620 > 17 30 Sr 0.50000000000000 0.09790624714900 0.75000000000000 87.620 > 18 31 Sr 0.87770670072234 0.13004568620103 0.95762155838407 87.620 > 13 32 Sr 0.12229329927766 0.13004568620103 0.54237844161593 87.620 > 14 33 Sr 0.12229329927766 0.86995431379897 0.04237844161593 87.620 > 15 34 Sr 0.87770670072234 0.86995431379897 0.45762155838407 87.620 > 16 35 Sr 0.00000000000000 0.40209375285100 0.25000000000000 87.620 > 17 36 Sr 0.00000000000000 0.59790624714900 0.75000000000000 87.620 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.085629351270118 0.000000000000000 0.000000000000000 b 0.000000000000000 20.246039620000001 0.000000000000000 c -0.199275268621392 0.000000000000000 13.215638577753474 Atomic positions (fractional): *1 Al 0.29499529336136 0.06180364679585 0.04022211015330 26.982 > 1 2 Al 0.29499529336136 0.56180364679585 0.04022211015330 26.982 > 1 3 Al 0.29499529336136 0.06180364679585 0.54022211015330 26.982 > 1 4 Al 0.29499529336136 0.56180364679585 0.54022211015330 26.982 > 1 5 Al 0.70500470663864 0.06180364679585 0.20977788984670 26.982 > 2 6 Al 0.70500470663864 0.56180364679585 0.20977788984670 26.982 > 2 7 Al 0.70500470663864 0.06180364679585 0.70977788984670 26.982 > 2 8 Al 0.70500470663864 0.56180364679585 0.70977788984670 26.982 > 2 9 Al 0.70500470663864 0.43819635320415 0.45977788984670 26.982 > 3 10 Al 0.70500470663864 0.93819635320415 0.45977788984670 26.982 > 3 11 Al 0.70500470663864 0.43819635320415 0.95977788984670 26.982 > 3 12 Al 0.70500470663864 0.93819635320415 0.95977788984670 26.982 > 3 13 Al 0.29499529336136 0.43819635320415 0.29022211015330 26.982 > 4 14 Al 0.29499529336136 0.93819635320415 0.29022211015330 26.982 > 4 15 Al 0.29499529336136 0.43819635320415 0.79022211015330 26.982 > 4 16 Al 0.29499529336136 0.93819635320415 0.79022211015330 26.982 > 4 17 Al 0.79499529336136 0.31180364679585 0.04022211015330 26.982 > 1 18 Al 0.79499529336136 0.81180364679585 0.04022211015330 26.982 > 1 19 Al 0.79499529336136 0.31180364679585 0.54022211015330 26.982 > 1 20 Al 0.79499529336136 0.81180364679585 0.54022211015330 26.982 > 1 21 Al 0.20500470663864 0.31180364679585 0.20977788984670 26.982 > 2 22 Al 0.20500470663864 0.81180364679585 0.20977788984670 26.982 > 2 23 Al 0.20500470663864 0.31180364679585 0.70977788984670 26.982 > 2 24 Al 0.20500470663864 0.81180364679585 0.70977788984670 26.982 > 2 25 Al 0.20500470663864 0.18819635320415 0.45977788984670 26.982 > 3 26 Al 0.20500470663864 0.68819635320415 0.45977788984670 26.982 > 3 27 Al 0.20500470663864 0.18819635320415 0.95977788984670 26.982 > 3 28 Al 0.20500470663864 0.68819635320415 0.95977788984670 26.982 > 3 29 Al 0.79499529336136 0.18819635320415 0.29022211015330 26.982 > 4 30 Al 0.79499529336136 0.68819635320415 0.29022211015330 26.982 > 4 31 Al 0.79499529336136 0.18819635320415 0.79022211015330 26.982 > 4 32 Al 0.79499529336136 0.68819635320415 0.79022211015330 26.982 > 4 *33 P 0.61702278671533 0.33832155663272 0.01261626505214 30.974 > 5 34 P 0.61702278671533 0.83832155663272 0.01261626505214 30.974 > 5 35 P 0.61702278671533 0.33832155663272 0.51261626505214 30.974 > 5 36 P 0.61702278671533 0.83832155663272 0.51261626505214 30.974 > 5 37 P 0.38297721328467 0.33832155663272 0.23738373494786 30.974 > 6 38 P 0.38297721328467 0.83832155663272 0.23738373494786 30.974 > 6 39 P 0.38297721328467 0.33832155663272 0.73738373494786 30.974 > 6 40 P 0.38297721328467 0.83832155663272 0.73738373494786 30.974 > 6 *41 P 0.66016994966200 0.45967358281762 0.28801601697038 30.974 > 7 42 P 0.66016994966200 0.95967358281762 0.28801601697038 30.974 > 7 43 P 0.66016994966200 0.45967358281762 0.78801601697038 30.974 > 7 44 P 0.66016994966200 0.95967358281762 0.78801601697038 30.974 > 7 45 P 0.33983005033800 0.45967358281762 0.46198398302962 30.974 > 8 46 P 0.33983005033800 0.95967358281762 0.46198398302962 30.974 > 8 47 P 0.33983005033800 0.45967358281762 0.96198398302962 30.974 > 8 48 P 0.33983005033800 0.95967358281762 0.96198398302962 30.974 > 8 49 P 0.33983005033800 0.04032641718238 0.21198398302962 30.974 > 9 50 P 0.33983005033800 0.54032641718238 0.21198398302962 30.974 > 9 51 P 0.33983005033800 0.04032641718238 0.71198398302962 30.974 > 9 52 P 0.33983005033800 0.54032641718238 0.71198398302962 30.974 > 9 53 P 0.66016994966200 0.04032641718238 0.03801601697038 30.974 > 10 54 P 0.66016994966200 0.54032641718238 0.03801601697038 30.974 > 10 55 P 0.66016994966200 0.04032641718238 0.53801601697038 30.974 > 10 56 P 0.66016994966200 0.54032641718238 0.53801601697038 30.974 > 10 57 P 0.61702278671533 0.16167844336728 0.26261626505214 30.974 > 11 58 P 0.61702278671533 0.66167844336728 0.26261626505214 30.974 > 11 59 P 0.61702278671533 0.16167844336728 0.76261626505214 30.974 > 11 60 P 0.61702278671533 0.66167844336728 0.76261626505214 30.974 > 11 61 P 0.38297721328467 0.16167844336728 0.48738373494786 30.974 > 12 62 P 0.38297721328467 0.66167844336728 0.48738373494786 30.974 > 12 63 P 0.38297721328467 0.16167844336728 0.98738373494786 30.974 > 12 64 P 0.38297721328467 0.66167844336728 0.98738373494786 30.974 > 12 65 P 0.11702278671533 0.08832155663272 0.01261626505214 30.974 > 5 66 P 0.11702278671533 0.58832155663272 0.01261626505214 30.974 > 5 67 P 0.11702278671533 0.08832155663272 0.51261626505214 30.974 > 5 68 P 0.11702278671533 0.58832155663272 0.51261626505214 30.974 > 5 69 P 0.88297721328467 0.08832155663272 0.23738373494786 30.974 > 6 70 P 0.88297721328467 0.58832155663272 0.23738373494786 30.974 > 6 71 P 0.88297721328467 0.08832155663272 0.73738373494786 30.974 > 6 72 P 0.88297721328467 0.58832155663272 0.73738373494786 30.974 > 6 73 P 0.16016994966200 0.20967358281762 0.28801601697038 30.974 > 7 74 P 0.16016994966200 0.70967358281762 0.28801601697038 30.974 > 7 75 P 0.16016994966200 0.20967358281762 0.78801601697038 30.974 > 7 76 P 0.16016994966200 0.70967358281762 0.78801601697038 30.974 > 7 77 P 0.83983005033800 0.20967358281762 0.46198398302962 30.974 > 8 78 P 0.83983005033800 0.70967358281762 0.46198398302962 30.974 > 8 79 P 0.83983005033800 0.20967358281762 0.96198398302962 30.974 > 8 80 P 0.83983005033800 0.70967358281762 0.96198398302962 30.974 > 8 81 P 0.83983005033800 0.29032641718238 0.21198398302962 30.974 > 9 82 P 0.83983005033800 0.79032641718238 0.21198398302962 30.974 > 9 83 P 0.83983005033800 0.29032641718238 0.71198398302962 30.974 > 9 84 P 0.83983005033800 0.79032641718238 0.71198398302962 30.974 > 9 85 P 0.16016994966200 0.29032641718238 0.03801601697038 30.974 > 10 86 P 0.16016994966200 0.79032641718238 0.03801601697038 30.974 > 10 87 P 0.16016994966200 0.29032641718238 0.53801601697038 30.974 > 10 88 P 0.16016994966200 0.79032641718238 0.53801601697038 30.974 > 10 89 P 0.11702278671533 0.41167844336728 0.26261626505214 30.974 > 11 90 P 0.11702278671533 0.91167844336728 0.26261626505214 30.974 > 11 91 P 0.11702278671533 0.41167844336728 0.76261626505214 30.974 > 11 92 P 0.11702278671533 0.91167844336728 0.76261626505214 30.974 > 11 93 P 0.88297721328467 0.41167844336728 0.48738373494786 30.974 > 12 94 P 0.88297721328467 0.91167844336728 0.48738373494786 30.974 > 12 95 P 0.88297721328467 0.41167844336728 0.98738373494786 30.974 > 12 96 P 0.88297721328467 0.91167844336728 0.98738373494786 30.974 > 12 *97 Sr 0.37770670072233 0.31502284310051 0.47881077919204 87.620 > 13 98 Sr 0.37770670072233 0.81502284310051 0.47881077919204 87.620 > 13 99 Sr 0.37770670072233 0.31502284310051 0.97881077919204 87.620 > 13 100 Sr 0.37770670072233 0.81502284310051 0.97881077919204 87.620 > 13 101 Sr 0.62229329927766 0.31502284310051 0.27118922080796 87.620 > 14 102 Sr 0.62229329927766 0.81502284310051 0.27118922080796 87.620 > 14 103 Sr 0.62229329927766 0.31502284310051 0.77118922080796 87.620 > 14 104 Sr 0.62229329927766 0.81502284310051 0.77118922080796 87.620 > 14 105 Sr 0.62229329927766 0.18497715689948 0.02118922080796 87.620 > 15 106 Sr 0.62229329927766 0.68497715689949 0.02118922080796 87.620 > 15 107 Sr 0.62229329927766 0.18497715689948 0.52118922080796 87.620 > 15 108 Sr 0.62229329927766 0.68497715689949 0.52118922080796 87.620 > 15 109 Sr 0.37770670072233 0.18497715689948 0.22881077919204 87.620 > 16 110 Sr 0.37770670072233 0.68497715689949 0.22881077919204 87.620 > 16 111 Sr 0.37770670072233 0.18497715689948 0.72881077919204 87.620 > 16 112 Sr 0.37770670072233 0.68497715689949 0.72881077919204 87.620 > 16 *113 Sr 0.50000000000000 0.45104687642550 0.12500000000000 87.620 > 17 114 Sr 0.50000000000000 0.95104687642550 0.12500000000000 87.620 > 17 115 Sr 0.50000000000000 0.45104687642550 0.62500000000000 87.620 > 17 116 Sr 0.50000000000000 0.95104687642550 0.62500000000000 87.620 > 17 117 Sr 0.50000000000000 0.04895312357450 0.37500000000000 87.620 > 18 118 Sr 0.50000000000000 0.54895312357450 0.37500000000000 87.620 > 18 119 Sr 0.50000000000000 0.04895312357450 0.87500000000000 87.620 > 18 120 Sr 0.50000000000000 0.54895312357450 0.87500000000000 87.620 > 18 121 Sr 0.87770670072234 0.06502284310051 0.47881077919204 87.620 > 13 122 Sr 0.87770670072234 0.56502284310051 0.47881077919204 87.620 > 13 123 Sr 0.87770670072234 0.06502284310051 0.97881077919204 87.620 > 13 124 Sr 0.87770670072234 0.56502284310051 0.97881077919204 87.620 > 13 125 Sr 0.12229329927766 0.06502284310051 0.27118922080796 87.620 > 14 126 Sr 0.12229329927766 0.56502284310051 0.27118922080796 87.620 > 14 127 Sr 0.12229329927766 0.06502284310051 0.77118922080796 87.620 > 14 128 Sr 0.12229329927766 0.56502284310051 0.77118922080796 87.620 > 14 129 Sr 0.12229329927766 0.43497715689949 0.02118922080796 87.620 > 15 130 Sr 0.12229329927766 0.93497715689949 0.02118922080796 87.620 > 15 131 Sr 0.12229329927766 0.43497715689949 0.52118922080796 87.620 > 15 132 Sr 0.12229329927766 0.93497715689949 0.52118922080796 87.620 > 15 133 Sr 0.87770670072234 0.43497715689949 0.22881077919204 87.620 > 16 134 Sr 0.87770670072234 0.93497715689949 0.22881077919204 87.620 > 16 135 Sr 0.87770670072234 0.43497715689949 0.72881077919204 87.620 > 16 136 Sr 0.87770670072234 0.93497715689949 0.72881077919204 87.620 > 16 137 Sr 0.00000000000000 0.20104687642550 0.12500000000000 87.620 > 17 138 Sr 0.00000000000000 0.70104687642550 0.12500000000000 87.620 > 17 139 Sr 0.00000000000000 0.20104687642550 0.62500000000000 87.620 > 17 140 Sr 0.00000000000000 0.70104687642550 0.62500000000000 87.620 > 17 141 Sr 0.00000000000000 0.29895312357450 0.37500000000000 87.620 > 18 142 Sr 0.00000000000000 0.79895312357450 0.37500000000000 87.620 > 18 143 Sr 0.00000000000000 0.29895312357450 0.87500000000000 87.620 > 18 144 Sr 0.00000000000000 0.79895312357450 0.87500000000000 87.620 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3949101 0.0000000 0.1637982 0.0000000 9.4319819 0.0000000 0.1638087 0.0000000 9.0870700 -------------------------- Born effective charges -------------------------- 1 Al 1.7876079 -0.1313071 0.2097643 -0.4952068 2.6811519 -0.3799882 0.1311755 0.1046773 2.2108417 2 Al 1.7876079 0.1313071 0.2097643 0.4952068 2.6811519 0.3799882 0.1311755 -0.1046773 2.2108417 3 Al 1.7876079 -0.1313071 0.2097643 -0.4952068 2.6811519 -0.3799882 0.1311755 0.1046773 2.2108417 4 Al 1.7876079 0.1313071 0.2097643 0.4952068 2.6811519 0.3799882 0.1311755 -0.1046773 2.2108417 5 P -3.3095103 -0.1149671 0.1247348 -0.0044787 -3.3154670 0.2399240 0.0944873 0.2342565 -2.4827578 6 P -3.3095103 0.1149671 0.1247348 0.0044787 -3.3154670 -0.2399240 0.0944873 -0.2342565 -2.4827578 7 P -2.5679702 -0.0471199 -0.2576762 0.0684919 -3.2376158 0.2930014 -0.3036085 0.2755838 -3.2153296 8 P -2.5679702 0.0471199 -0.2576762 -0.0684919 -3.2376158 -0.2930014 -0.3036085 -0.2755838 -3.2153296 9 P -2.5679702 -0.0471199 -0.2576762 0.0684919 -3.2376158 0.2930014 -0.3036085 0.2755838 -3.2153296 10 P -2.5679702 0.0471199 -0.2576762 -0.0684919 -3.2376158 -0.2930014 -0.3036085 -0.2755838 -3.2153296 11 P -3.3095103 0.1149671 0.1247348 0.0044787 -3.3154670 -0.2399240 0.0944873 -0.2342565 -2.4827578 12 P -3.3095103 -0.1149671 0.1247348 -0.0044787 -3.3154670 0.2399240 0.0944873 0.2342565 -2.4827578 13 Sr 2.5039832 0.2930179 -0.0128163 0.3438597 2.9349984 -0.1363034 -0.0915660 -0.1876672 2.3185418 14 Sr 2.5039832 -0.2930179 -0.0128163 -0.3438597 2.9349984 0.1363034 -0.0915660 0.1876672 2.3185418 15 Sr 2.5039832 0.2930179 -0.0128163 0.3438597 2.9349984 -0.1363034 -0.0915660 -0.1876672 2.3185418 16 Sr 2.5039832 -0.2930179 -0.0128163 -0.3438597 2.9349984 0.1363034 -0.0915660 0.1876672 2.3185418 17 Sr 3.1717788 0.0000000 -0.1280131 0.0000000 1.8738650 0.0000000 0.3390235 0.0000000 2.3374078 18 Sr 3.1717788 0.0000000 -0.1280131 0.0000000 1.8738650 0.0000000 0.3390235 0.0000000 2.3374078 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.411 Solver_block: 200 / 560 - Time: 1.136 Solver_block: 300 / 560 - Time: 1.155 Solver_block: 400 / 560 - Time: 1.145 Solver_block: 500 / 560 - Time: 1.147 Solver_block: 560 / 560 - Time: 0.721 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.840 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), 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 2026-01-07 23:35:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:35:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.542814675635059 -5.061509905000000 0.000000000000000 b 6.542814675635059 5.061509905000000 0.000000000000000 c -0.099637634310696 0.000000000000000 6.607819288876737 Atomic positions (fractional): 1 Al 0.17138799976967 0.41860258695305 0.08044422030661 26.982 2 Al 0.58139741304695 0.82861200023033 0.41955577969339 26.982 3 Al 0.82861200023033 0.58139741304695 0.91955577969339 26.982 4 Al 0.41860258695305 0.17138799976967 0.58044422030661 26.982 5 P 0.94037967344988 0.29366589998078 0.02523253010428 30.974 6 P 0.70633410001922 0.05962032655012 0.47476746989572 30.974 7 P 0.74082278402677 0.57951711529723 0.57603203394076 30.974 8 P 0.42048288470277 0.25917721597323 0.92396796605924 30.974 9 P 0.25917721597323 0.42048288470277 0.42396796605924 30.974 10 P 0.57951711529723 0.74082278402677 0.07603203394076 30.974 11 P 0.29366589998078 0.94037967344988 0.52523253010428 30.974 12 P 0.05962032655012 0.70633410001922 0.97476746989572 30.974 13 Sr 0.74766101452130 0.00775238692336 0.95762155838407 87.620 14 Sr 0.99224761307664 0.25233898547870 0.54237844161593 87.620 15 Sr 0.25233898547869 0.99224761307663 0.04237844161593 87.620 16 Sr 0.00775238692336 0.74766101452130 0.45762155838407 87.620 17 Sr 0.59790624714900 0.40209375285100 0.25000000000000 87.620 18 Sr 0.40209375285100 0.59790624714900 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.085629351270118 0.000000000000000 0.000000000000000 b 0.000000000000000 20.246039620000001 0.000000000000000 c -0.199275268621392 0.000000000000000 13.215638577753474 Atomic positions (fractional): 1 Al 0.29499529336136 0.06180364679585 0.04022211015330 26.982 > 1 2 Al 0.29499529336136 0.56180364679585 0.04022211015330 26.982 > 1 3 Al 0.29499529336136 0.06180364679585 0.54022211015330 26.982 > 1 4 Al 0.29499529336136 0.56180364679585 0.54022211015330 26.982 > 1 5 Al 0.70500470663864 0.06180364679585 0.20977788984670 26.982 > 5 6 Al 0.70500470663864 0.56180364679585 0.20977788984670 26.982 > 5 7 Al 0.70500470663864 0.06180364679585 0.70977788984670 26.982 > 5 8 Al 0.70500470663864 0.56180364679585 0.70977788984670 26.982 > 5 9 Al 0.70500470663864 0.43819635320415 0.45977788984670 26.982 > 9 10 Al 0.70500470663864 0.93819635320415 0.45977788984670 26.982 > 9 11 Al 0.70500470663864 0.43819635320415 0.95977788984670 26.982 > 9 12 Al 0.70500470663864 0.93819635320415 0.95977788984670 26.982 > 9 13 Al 0.29499529336136 0.43819635320415 0.29022211015330 26.982 > 13 14 Al 0.29499529336136 0.93819635320415 0.29022211015330 26.982 > 13 15 Al 0.29499529336136 0.43819635320415 0.79022211015330 26.982 > 13 16 Al 0.29499529336136 0.93819635320415 0.79022211015330 26.982 > 13 17 Al 0.79499529336136 0.31180364679585 0.04022211015330 26.982 > 1 18 Al 0.79499529336136 0.81180364679585 0.04022211015330 26.982 > 1 19 Al 0.79499529336136 0.31180364679585 0.54022211015330 26.982 > 1 20 Al 0.79499529336136 0.81180364679585 0.54022211015330 26.982 > 1 21 Al 0.20500470663864 0.31180364679585 0.20977788984670 26.982 > 5 22 Al 0.20500470663864 0.81180364679585 0.20977788984670 26.982 > 5 23 Al 0.20500470663864 0.31180364679585 0.70977788984670 26.982 > 5 24 Al 0.20500470663864 0.81180364679585 0.70977788984670 26.982 > 5 25 Al 0.20500470663864 0.18819635320415 0.45977788984670 26.982 > 9 26 Al 0.20500470663864 0.68819635320415 0.45977788984670 26.982 > 9 27 Al 0.20500470663864 0.18819635320415 0.95977788984670 26.982 > 9 28 Al 0.20500470663864 0.68819635320415 0.95977788984670 26.982 > 9 29 Al 0.79499529336136 0.18819635320415 0.29022211015330 26.982 > 13 30 Al 0.79499529336136 0.68819635320415 0.29022211015330 26.982 > 13 31 Al 0.79499529336136 0.18819635320415 0.79022211015330 26.982 > 13 32 Al 0.79499529336136 0.68819635320415 0.79022211015330 26.982 > 13 33 P 0.61702278671533 0.33832155663272 0.01261626505214 30.974 > 33 34 P 0.61702278671533 0.83832155663272 0.01261626505214 30.974 > 33 35 P 0.61702278671533 0.33832155663272 0.51261626505214 30.974 > 33 36 P 0.61702278671533 0.83832155663272 0.51261626505214 30.974 > 33 37 P 0.38297721328467 0.33832155663272 0.23738373494786 30.974 > 37 38 P 0.38297721328467 0.83832155663272 0.23738373494786 30.974 > 37 39 P 0.38297721328467 0.33832155663272 0.73738373494786 30.974 > 37 40 P 0.38297721328467 0.83832155663272 0.73738373494786 30.974 > 37 41 P 0.66016994966200 0.45967358281762 0.28801601697038 30.974 > 41 42 P 0.66016994966200 0.95967358281762 0.28801601697038 30.974 > 41 43 P 0.66016994966200 0.45967358281762 0.78801601697038 30.974 > 41 44 P 0.66016994966200 0.95967358281762 0.78801601697038 30.974 > 41 45 P 0.33983005033800 0.45967358281762 0.46198398302962 30.974 > 45 46 P 0.33983005033800 0.95967358281762 0.46198398302962 30.974 > 45 47 P 0.33983005033800 0.45967358281762 0.96198398302962 30.974 > 45 48 P 0.33983005033800 0.95967358281762 0.96198398302962 30.974 > 45 49 P 0.33983005033800 0.04032641718238 0.21198398302962 30.974 > 49 50 P 0.33983005033800 0.54032641718238 0.21198398302962 30.974 > 49 51 P 0.33983005033800 0.04032641718238 0.71198398302962 30.974 > 49 52 P 0.33983005033800 0.54032641718238 0.71198398302962 30.974 > 49 53 P 0.66016994966200 0.04032641718238 0.03801601697038 30.974 > 53 54 P 0.66016994966200 0.54032641718238 0.03801601697038 30.974 > 53 55 P 0.66016994966200 0.04032641718238 0.53801601697038 30.974 > 53 56 P 0.66016994966200 0.54032641718238 0.53801601697038 30.974 > 53 57 P 0.61702278671533 0.16167844336728 0.26261626505214 30.974 > 57 58 P 0.61702278671533 0.66167844336728 0.26261626505214 30.974 > 57 59 P 0.61702278671533 0.16167844336728 0.76261626505214 30.974 > 57 60 P 0.61702278671533 0.66167844336728 0.76261626505214 30.974 > 57 61 P 0.38297721328467 0.16167844336728 0.48738373494786 30.974 > 61 62 P 0.38297721328467 0.66167844336728 0.48738373494786 30.974 > 61 63 P 0.38297721328467 0.16167844336728 0.98738373494786 30.974 > 61 64 P 0.38297721328467 0.66167844336728 0.98738373494786 30.974 > 61 65 P 0.11702278671533 0.08832155663272 0.01261626505214 30.974 > 33 66 P 0.11702278671533 0.58832155663272 0.01261626505214 30.974 > 33 67 P 0.11702278671533 0.08832155663272 0.51261626505214 30.974 > 33 68 P 0.11702278671533 0.58832155663272 0.51261626505214 30.974 > 33 69 P 0.88297721328467 0.08832155663272 0.23738373494786 30.974 > 37 70 P 0.88297721328467 0.58832155663272 0.23738373494786 30.974 > 37 71 P 0.88297721328467 0.08832155663272 0.73738373494786 30.974 > 37 72 P 0.88297721328467 0.58832155663272 0.73738373494786 30.974 > 37 73 P 0.16016994966200 0.20967358281762 0.28801601697038 30.974 > 41 74 P 0.16016994966200 0.70967358281762 0.28801601697038 30.974 > 41 75 P 0.16016994966200 0.20967358281762 0.78801601697038 30.974 > 41 76 P 0.16016994966200 0.70967358281762 0.78801601697038 30.974 > 41 77 P 0.83983005033800 0.20967358281762 0.46198398302962 30.974 > 45 78 P 0.83983005033800 0.70967358281762 0.46198398302962 30.974 > 45 79 P 0.83983005033800 0.20967358281762 0.96198398302962 30.974 > 45 80 P 0.83983005033800 0.70967358281762 0.96198398302962 30.974 > 45 81 P 0.83983005033800 0.29032641718238 0.21198398302962 30.974 > 49 82 P 0.83983005033800 0.79032641718238 0.21198398302962 30.974 > 49 83 P 0.83983005033800 0.29032641718238 0.71198398302962 30.974 > 49 84 P 0.83983005033800 0.79032641718238 0.71198398302962 30.974 > 49 85 P 0.16016994966200 0.29032641718238 0.03801601697038 30.974 > 53 86 P 0.16016994966200 0.79032641718238 0.03801601697038 30.974 > 53 87 P 0.16016994966200 0.29032641718238 0.53801601697038 30.974 > 53 88 P 0.16016994966200 0.79032641718238 0.53801601697038 30.974 > 53 89 P 0.11702278671533 0.41167844336728 0.26261626505214 30.974 > 57 90 P 0.11702278671533 0.91167844336728 0.26261626505214 30.974 > 57 91 P 0.11702278671533 0.41167844336728 0.76261626505214 30.974 > 57 92 P 0.11702278671533 0.91167844336728 0.76261626505214 30.974 > 57 93 P 0.88297721328467 0.41167844336728 0.48738373494786 30.974 > 61 94 P 0.88297721328467 0.91167844336728 0.48738373494786 30.974 > 61 95 P 0.88297721328467 0.41167844336728 0.98738373494786 30.974 > 61 96 P 0.88297721328467 0.91167844336728 0.98738373494786 30.974 > 61 97 Sr 0.37770670072233 0.31502284310051 0.47881077919204 87.620 > 97 98 Sr 0.37770670072233 0.81502284310051 0.47881077919204 87.620 > 97 99 Sr 0.37770670072233 0.31502284310051 0.97881077919204 87.620 > 97 100 Sr 0.37770670072233 0.81502284310051 0.97881077919204 87.620 > 97 101 Sr 0.62229329927766 0.31502284310051 0.27118922080796 87.620 > 101 102 Sr 0.62229329927766 0.81502284310051 0.27118922080796 87.620 > 101 103 Sr 0.62229329927766 0.31502284310051 0.77118922080796 87.620 > 101 104 Sr 0.62229329927766 0.81502284310051 0.77118922080796 87.620 > 101 105 Sr 0.62229329927766 0.18497715689948 0.02118922080796 87.620 > 105 106 Sr 0.62229329927766 0.68497715689949 0.02118922080796 87.620 > 105 107 Sr 0.62229329927766 0.18497715689948 0.52118922080796 87.620 > 105 108 Sr 0.62229329927766 0.68497715689949 0.52118922080796 87.620 > 105 109 Sr 0.37770670072233 0.18497715689948 0.22881077919204 87.620 > 109 110 Sr 0.37770670072233 0.68497715689949 0.22881077919204 87.620 > 109 111 Sr 0.37770670072233 0.18497715689948 0.72881077919204 87.620 > 109 112 Sr 0.37770670072233 0.68497715689949 0.72881077919204 87.620 > 109 113 Sr 0.50000000000000 0.45104687642550 0.12500000000000 87.620 > 113 114 Sr 0.50000000000000 0.95104687642550 0.12500000000000 87.620 > 113 115 Sr 0.50000000000000 0.45104687642550 0.62500000000000 87.620 > 113 116 Sr 0.50000000000000 0.95104687642550 0.62500000000000 87.620 > 113 117 Sr 0.50000000000000 0.04895312357450 0.37500000000000 87.620 > 117 118 Sr 0.50000000000000 0.54895312357450 0.37500000000000 87.620 > 117 119 Sr 0.50000000000000 0.04895312357450 0.87500000000000 87.620 > 117 120 Sr 0.50000000000000 0.54895312357450 0.87500000000000 87.620 > 117 121 Sr 0.87770670072234 0.06502284310051 0.47881077919204 87.620 > 97 122 Sr 0.87770670072234 0.56502284310051 0.47881077919204 87.620 > 97 123 Sr 0.87770670072234 0.06502284310051 0.97881077919204 87.620 > 97 124 Sr 0.87770670072234 0.56502284310051 0.97881077919204 87.620 > 97 125 Sr 0.12229329927766 0.06502284310051 0.27118922080796 87.620 > 101 126 Sr 0.12229329927766 0.56502284310051 0.27118922080796 87.620 > 101 127 Sr 0.12229329927766 0.06502284310051 0.77118922080796 87.620 > 101 128 Sr 0.12229329927766 0.56502284310051 0.77118922080796 87.620 > 101 129 Sr 0.12229329927766 0.43497715689949 0.02118922080796 87.620 > 105 130 Sr 0.12229329927766 0.93497715689949 0.02118922080796 87.620 > 105 131 Sr 0.12229329927766 0.43497715689949 0.52118922080796 87.620 > 105 132 Sr 0.12229329927766 0.93497715689949 0.52118922080796 87.620 > 105 133 Sr 0.87770670072234 0.43497715689949 0.22881077919204 87.620 > 109 134 Sr 0.87770670072234 0.93497715689949 0.22881077919204 87.620 > 109 135 Sr 0.87770670072234 0.43497715689949 0.72881077919204 87.620 > 109 136 Sr 0.87770670072234 0.93497715689949 0.72881077919204 87.620 > 109 137 Sr 0.00000000000000 0.20104687642550 0.12500000000000 87.620 > 113 138 Sr 0.00000000000000 0.70104687642550 0.12500000000000 87.620 > 113 139 Sr 0.00000000000000 0.20104687642550 0.62500000000000 87.620 > 113 140 Sr 0.00000000000000 0.70104687642550 0.62500000000000 87.620 > 113 141 Sr 0.00000000000000 0.29895312357450 0.37500000000000 87.620 > 117 142 Sr 0.00000000000000 0.79895312357450 0.37500000000000 87.620 > 117 143 Sr 0.00000000000000 0.29895312357450 0.87500000000000 87.620 > 117 144 Sr 0.00000000000000 0.79895312357450 0.87500000000000 87.620 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3949101 0.0000000 0.1637982 0.0000000 9.4319819 0.0000000 0.1638087 0.0000000 9.0870700 -------------------------- Born effective charges -------------------------- 1 Al 1.7876079 -0.1313071 0.2097643 -0.4952068 2.6811519 -0.3799882 0.1311755 0.1046773 2.2108417 2 Al 1.7876079 0.1313071 0.2097643 0.4952068 2.6811519 0.3799882 0.1311755 -0.1046773 2.2108417 3 Al 1.7876079 -0.1313071 0.2097643 -0.4952068 2.6811519 -0.3799882 0.1311755 0.1046773 2.2108417 4 Al 1.7876079 0.1313071 0.2097643 0.4952068 2.6811519 0.3799882 0.1311755 -0.1046773 2.2108417 5 P -3.3095103 -0.1149671 0.1247348 -0.0044787 -3.3154670 0.2399240 0.0944873 0.2342565 -2.4827578 6 P -3.3095103 0.1149671 0.1247348 0.0044787 -3.3154670 -0.2399240 0.0944873 -0.2342565 -2.4827578 7 P -2.5679702 -0.0471199 -0.2576762 0.0684919 -3.2376158 0.2930014 -0.3036085 0.2755838 -3.2153296 8 P -2.5679702 0.0471199 -0.2576762 -0.0684919 -3.2376158 -0.2930014 -0.3036085 -0.2755838 -3.2153296 9 P -2.5679702 -0.0471199 -0.2576762 0.0684919 -3.2376158 0.2930014 -0.3036085 0.2755838 -3.2153296 10 P -2.5679702 0.0471199 -0.2576762 -0.0684919 -3.2376158 -0.2930014 -0.3036085 -0.2755838 -3.2153296 11 P -3.3095103 0.1149671 0.1247348 0.0044787 -3.3154670 -0.2399240 0.0944873 -0.2342565 -2.4827578 12 P -3.3095103 -0.1149671 0.1247348 -0.0044787 -3.3154670 0.2399240 0.0944873 0.2342565 -2.4827578 13 Sr 2.5039832 0.2930179 -0.0128163 0.3438597 2.9349984 -0.1363034 -0.0915660 -0.1876672 2.3185418 14 Sr 2.5039832 -0.2930179 -0.0128163 -0.3438597 2.9349984 0.1363034 -0.0915660 0.1876672 2.3185418 15 Sr 2.5039832 0.2930179 -0.0128163 0.3438597 2.9349984 -0.1363034 -0.0915660 -0.1876672 2.3185418 16 Sr 2.5039832 -0.2930179 -0.0128163 -0.3438597 2.9349984 0.1363034 -0.0915660 0.1876672 2.3185418 17 Sr 3.1717788 0.0000000 -0.1280131 0.0000000 1.8738650 0.0000000 0.3390235 0.0000000 2.3374078 18 Sr 3.1717788 0.0000000 -0.1280131 0.0000000 1.8738650 0.0000000 0.3390235 0.0000000 2.3374078 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:36:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:36:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.542814675635059 -5.061509905000000 0.000000000000000 b 6.542814675635059 5.061509905000000 0.000000000000000 c -0.099637634310696 0.000000000000000 6.607819288876737 Atomic positions (fractional): 1 Al 0.17138799976967 0.41860258695305 0.08044422030661 26.982 2 Al 0.58139741304695 0.82861200023033 0.41955577969339 26.982 3 Al 0.82861200023033 0.58139741304695 0.91955577969339 26.982 4 Al 0.41860258695305 0.17138799976967 0.58044422030661 26.982 5 P 0.94037967344988 0.29366589998078 0.02523253010428 30.974 6 P 0.70633410001922 0.05962032655012 0.47476746989572 30.974 7 P 0.74082278402677 0.57951711529723 0.57603203394076 30.974 8 P 0.42048288470277 0.25917721597323 0.92396796605924 30.974 9 P 0.25917721597323 0.42048288470277 0.42396796605924 30.974 10 P 0.57951711529723 0.74082278402677 0.07603203394076 30.974 11 P 0.29366589998078 0.94037967344988 0.52523253010428 30.974 12 P 0.05962032655012 0.70633410001922 0.97476746989572 30.974 13 Sr 0.74766101452130 0.00775238692336 0.95762155838407 87.620 14 Sr 0.99224761307664 0.25233898547870 0.54237844161593 87.620 15 Sr 0.25233898547869 0.99224761307663 0.04237844161593 87.620 16 Sr 0.00775238692336 0.74766101452130 0.45762155838407 87.620 17 Sr 0.59790624714900 0.40209375285100 0.25000000000000 87.620 18 Sr 0.40209375285100 0.59790624714900 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.085629351270118 0.000000000000000 0.000000000000000 b 0.000000000000000 20.246039620000001 0.000000000000000 c -0.199275268621392 0.000000000000000 13.215638577753474 Atomic positions (fractional): 1 Al 0.29499529336136 0.06180364679585 0.04022211015330 26.982 > 1 2 Al 0.29499529336136 0.56180364679585 0.04022211015330 26.982 > 1 3 Al 0.29499529336136 0.06180364679585 0.54022211015330 26.982 > 1 4 Al 0.29499529336136 0.56180364679585 0.54022211015330 26.982 > 1 5 Al 0.70500470663864 0.06180364679585 0.20977788984670 26.982 > 5 6 Al 0.70500470663864 0.56180364679585 0.20977788984670 26.982 > 5 7 Al 0.70500470663864 0.06180364679585 0.70977788984670 26.982 > 5 8 Al 0.70500470663864 0.56180364679585 0.70977788984670 26.982 > 5 9 Al 0.70500470663864 0.43819635320415 0.45977788984670 26.982 > 9 10 Al 0.70500470663864 0.93819635320415 0.45977788984670 26.982 > 9 11 Al 0.70500470663864 0.43819635320415 0.95977788984670 26.982 > 9 12 Al 0.70500470663864 0.93819635320415 0.95977788984670 26.982 > 9 13 Al 0.29499529336136 0.43819635320415 0.29022211015330 26.982 > 13 14 Al 0.29499529336136 0.93819635320415 0.29022211015330 26.982 > 13 15 Al 0.29499529336136 0.43819635320415 0.79022211015330 26.982 > 13 16 Al 0.29499529336136 0.93819635320415 0.79022211015330 26.982 > 13 17 Al 0.79499529336136 0.31180364679585 0.04022211015330 26.982 > 1 18 Al 0.79499529336136 0.81180364679585 0.04022211015330 26.982 > 1 19 Al 0.79499529336136 0.31180364679585 0.54022211015330 26.982 > 1 20 Al 0.79499529336136 0.81180364679585 0.54022211015330 26.982 > 1 21 Al 0.20500470663864 0.31180364679585 0.20977788984670 26.982 > 5 22 Al 0.20500470663864 0.81180364679585 0.20977788984670 26.982 > 5 23 Al 0.20500470663864 0.31180364679585 0.70977788984670 26.982 > 5 24 Al 0.20500470663864 0.81180364679585 0.70977788984670 26.982 > 5 25 Al 0.20500470663864 0.18819635320415 0.45977788984670 26.982 > 9 26 Al 0.20500470663864 0.68819635320415 0.45977788984670 26.982 > 9 27 Al 0.20500470663864 0.18819635320415 0.95977788984670 26.982 > 9 28 Al 0.20500470663864 0.68819635320415 0.95977788984670 26.982 > 9 29 Al 0.79499529336136 0.18819635320415 0.29022211015330 26.982 > 13 30 Al 0.79499529336136 0.68819635320415 0.29022211015330 26.982 > 13 31 Al 0.79499529336136 0.18819635320415 0.79022211015330 26.982 > 13 32 Al 0.79499529336136 0.68819635320415 0.79022211015330 26.982 > 13 33 P 0.61702278671533 0.33832155663272 0.01261626505214 30.974 > 33 34 P 0.61702278671533 0.83832155663272 0.01261626505214 30.974 > 33 35 P 0.61702278671533 0.33832155663272 0.51261626505214 30.974 > 33 36 P 0.61702278671533 0.83832155663272 0.51261626505214 30.974 > 33 37 P 0.38297721328467 0.33832155663272 0.23738373494786 30.974 > 37 38 P 0.38297721328467 0.83832155663272 0.23738373494786 30.974 > 37 39 P 0.38297721328467 0.33832155663272 0.73738373494786 30.974 > 37 40 P 0.38297721328467 0.83832155663272 0.73738373494786 30.974 > 37 41 P 0.66016994966200 0.45967358281762 0.28801601697038 30.974 > 41 42 P 0.66016994966200 0.95967358281762 0.28801601697038 30.974 > 41 43 P 0.66016994966200 0.45967358281762 0.78801601697038 30.974 > 41 44 P 0.66016994966200 0.95967358281762 0.78801601697038 30.974 > 41 45 P 0.33983005033800 0.45967358281762 0.46198398302962 30.974 > 45 46 P 0.33983005033800 0.95967358281762 0.46198398302962 30.974 > 45 47 P 0.33983005033800 0.45967358281762 0.96198398302962 30.974 > 45 48 P 0.33983005033800 0.95967358281762 0.96198398302962 30.974 > 45 49 P 0.33983005033800 0.04032641718238 0.21198398302962 30.974 > 49 50 P 0.33983005033800 0.54032641718238 0.21198398302962 30.974 > 49 51 P 0.33983005033800 0.04032641718238 0.71198398302962 30.974 > 49 52 P 0.33983005033800 0.54032641718238 0.71198398302962 30.974 > 49 53 P 0.66016994966200 0.04032641718238 0.03801601697038 30.974 > 53 54 P 0.66016994966200 0.54032641718238 0.03801601697038 30.974 > 53 55 P 0.66016994966200 0.04032641718238 0.53801601697038 30.974 > 53 56 P 0.66016994966200 0.54032641718238 0.53801601697038 30.974 > 53 57 P 0.61702278671533 0.16167844336728 0.26261626505214 30.974 > 57 58 P 0.61702278671533 0.66167844336728 0.26261626505214 30.974 > 57 59 P 0.61702278671533 0.16167844336728 0.76261626505214 30.974 > 57 60 P 0.61702278671533 0.66167844336728 0.76261626505214 30.974 > 57 61 P 0.38297721328467 0.16167844336728 0.48738373494786 30.974 > 61 62 P 0.38297721328467 0.66167844336728 0.48738373494786 30.974 > 61 63 P 0.38297721328467 0.16167844336728 0.98738373494786 30.974 > 61 64 P 0.38297721328467 0.66167844336728 0.98738373494786 30.974 > 61 65 P 0.11702278671533 0.08832155663272 0.01261626505214 30.974 > 33 66 P 0.11702278671533 0.58832155663272 0.01261626505214 30.974 > 33 67 P 0.11702278671533 0.08832155663272 0.51261626505214 30.974 > 33 68 P 0.11702278671533 0.58832155663272 0.51261626505214 30.974 > 33 69 P 0.88297721328467 0.08832155663272 0.23738373494786 30.974 > 37 70 P 0.88297721328467 0.58832155663272 0.23738373494786 30.974 > 37 71 P 0.88297721328467 0.08832155663272 0.73738373494786 30.974 > 37 72 P 0.88297721328467 0.58832155663272 0.73738373494786 30.974 > 37 73 P 0.16016994966200 0.20967358281762 0.28801601697038 30.974 > 41 74 P 0.16016994966200 0.70967358281762 0.28801601697038 30.974 > 41 75 P 0.16016994966200 0.20967358281762 0.78801601697038 30.974 > 41 76 P 0.16016994966200 0.70967358281762 0.78801601697038 30.974 > 41 77 P 0.83983005033800 0.20967358281762 0.46198398302962 30.974 > 45 78 P 0.83983005033800 0.70967358281762 0.46198398302962 30.974 > 45 79 P 0.83983005033800 0.20967358281762 0.96198398302962 30.974 > 45 80 P 0.83983005033800 0.70967358281762 0.96198398302962 30.974 > 45 81 P 0.83983005033800 0.29032641718238 0.21198398302962 30.974 > 49 82 P 0.83983005033800 0.79032641718238 0.21198398302962 30.974 > 49 83 P 0.83983005033800 0.29032641718238 0.71198398302962 30.974 > 49 84 P 0.83983005033800 0.79032641718238 0.71198398302962 30.974 > 49 85 P 0.16016994966200 0.29032641718238 0.03801601697038 30.974 > 53 86 P 0.16016994966200 0.79032641718238 0.03801601697038 30.974 > 53 87 P 0.16016994966200 0.29032641718238 0.53801601697038 30.974 > 53 88 P 0.16016994966200 0.79032641718238 0.53801601697038 30.974 > 53 89 P 0.11702278671533 0.41167844336728 0.26261626505214 30.974 > 57 90 P 0.11702278671533 0.91167844336728 0.26261626505214 30.974 > 57 91 P 0.11702278671533 0.41167844336728 0.76261626505214 30.974 > 57 92 P 0.11702278671533 0.91167844336728 0.76261626505214 30.974 > 57 93 P 0.88297721328467 0.41167844336728 0.48738373494786 30.974 > 61 94 P 0.88297721328467 0.91167844336728 0.48738373494786 30.974 > 61 95 P 0.88297721328467 0.41167844336728 0.98738373494786 30.974 > 61 96 P 0.88297721328467 0.91167844336728 0.98738373494786 30.974 > 61 97 Sr 0.37770670072233 0.31502284310051 0.47881077919204 87.620 > 97 98 Sr 0.37770670072233 0.81502284310051 0.47881077919204 87.620 > 97 99 Sr 0.37770670072233 0.31502284310051 0.97881077919204 87.620 > 97 100 Sr 0.37770670072233 0.81502284310051 0.97881077919204 87.620 > 97 101 Sr 0.62229329927766 0.31502284310051 0.27118922080796 87.620 > 101 102 Sr 0.62229329927766 0.81502284310051 0.27118922080796 87.620 > 101 103 Sr 0.62229329927766 0.31502284310051 0.77118922080796 87.620 > 101 104 Sr 0.62229329927766 0.81502284310051 0.77118922080796 87.620 > 101 105 Sr 0.62229329927766 0.18497715689948 0.02118922080796 87.620 > 105 106 Sr 0.62229329927766 0.68497715689949 0.02118922080796 87.620 > 105 107 Sr 0.62229329927766 0.18497715689948 0.52118922080796 87.620 > 105 108 Sr 0.62229329927766 0.68497715689949 0.52118922080796 87.620 > 105 109 Sr 0.37770670072233 0.18497715689948 0.22881077919204 87.620 > 109 110 Sr 0.37770670072233 0.68497715689949 0.22881077919204 87.620 > 109 111 Sr 0.37770670072233 0.18497715689948 0.72881077919204 87.620 > 109 112 Sr 0.37770670072233 0.68497715689949 0.72881077919204 87.620 > 109 113 Sr 0.50000000000000 0.45104687642550 0.12500000000000 87.620 > 113 114 Sr 0.50000000000000 0.95104687642550 0.12500000000000 87.620 > 113 115 Sr 0.50000000000000 0.45104687642550 0.62500000000000 87.620 > 113 116 Sr 0.50000000000000 0.95104687642550 0.62500000000000 87.620 > 113 117 Sr 0.50000000000000 0.04895312357450 0.37500000000000 87.620 > 117 118 Sr 0.50000000000000 0.54895312357450 0.37500000000000 87.620 > 117 119 Sr 0.50000000000000 0.04895312357450 0.87500000000000 87.620 > 117 120 Sr 0.50000000000000 0.54895312357450 0.87500000000000 87.620 > 117 121 Sr 0.87770670072234 0.06502284310051 0.47881077919204 87.620 > 97 122 Sr 0.87770670072234 0.56502284310051 0.47881077919204 87.620 > 97 123 Sr 0.87770670072234 0.06502284310051 0.97881077919204 87.620 > 97 124 Sr 0.87770670072234 0.56502284310051 0.97881077919204 87.620 > 97 125 Sr 0.12229329927766 0.06502284310051 0.27118922080796 87.620 > 101 126 Sr 0.12229329927766 0.56502284310051 0.27118922080796 87.620 > 101 127 Sr 0.12229329927766 0.06502284310051 0.77118922080796 87.620 > 101 128 Sr 0.12229329927766 0.56502284310051 0.77118922080796 87.620 > 101 129 Sr 0.12229329927766 0.43497715689949 0.02118922080796 87.620 > 105 130 Sr 0.12229329927766 0.93497715689949 0.02118922080796 87.620 > 105 131 Sr 0.12229329927766 0.43497715689949 0.52118922080796 87.620 > 105 132 Sr 0.12229329927766 0.93497715689949 0.52118922080796 87.620 > 105 133 Sr 0.87770670072234 0.43497715689949 0.22881077919204 87.620 > 109 134 Sr 0.87770670072234 0.93497715689949 0.22881077919204 87.620 > 109 135 Sr 0.87770670072234 0.43497715689949 0.72881077919204 87.620 > 109 136 Sr 0.87770670072234 0.93497715689949 0.72881077919204 87.620 > 109 137 Sr 0.00000000000000 0.20104687642550 0.12500000000000 87.620 > 113 138 Sr 0.00000000000000 0.70104687642550 0.12500000000000 87.620 > 113 139 Sr 0.00000000000000 0.20104687642550 0.62500000000000 87.620 > 113 140 Sr 0.00000000000000 0.70104687642550 0.62500000000000 87.620 > 113 141 Sr 0.00000000000000 0.29895312357450 0.37500000000000 87.620 > 117 142 Sr 0.00000000000000 0.79895312357450 0.37500000000000 87.620 > 117 143 Sr 0.00000000000000 0.29895312357450 0.87500000000000 87.620 > 117 144 Sr 0.00000000000000 0.79895312357450 0.87500000000000 87.620 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.3949101 0.0000000 0.1637982 0.0000000 9.4319819 0.0000000 0.1638087 0.0000000 9.0870700 -------------------------- Born effective charges -------------------------- 1 Al 1.7876079 -0.1313071 0.2097643 -0.4952068 2.6811519 -0.3799882 0.1311755 0.1046773 2.2108417 2 Al 1.7876079 0.1313071 0.2097643 0.4952068 2.6811519 0.3799882 0.1311755 -0.1046773 2.2108417 3 Al 1.7876079 -0.1313071 0.2097643 -0.4952068 2.6811519 -0.3799882 0.1311755 0.1046773 2.2108417 4 Al 1.7876079 0.1313071 0.2097643 0.4952068 2.6811519 0.3799882 0.1311755 -0.1046773 2.2108417 5 P -3.3095103 -0.1149671 0.1247348 -0.0044787 -3.3154670 0.2399240 0.0944873 0.2342565 -2.4827578 6 P -3.3095103 0.1149671 0.1247348 0.0044787 -3.3154670 -0.2399240 0.0944873 -0.2342565 -2.4827578 7 P -2.5679702 -0.0471199 -0.2576762 0.0684919 -3.2376158 0.2930014 -0.3036085 0.2755838 -3.2153296 8 P -2.5679702 0.0471199 -0.2576762 -0.0684919 -3.2376158 -0.2930014 -0.3036085 -0.2755838 -3.2153296 9 P -2.5679702 -0.0471199 -0.2576762 0.0684919 -3.2376158 0.2930014 -0.3036085 0.2755838 -3.2153296 10 P -2.5679702 0.0471199 -0.2576762 -0.0684919 -3.2376158 -0.2930014 -0.3036085 -0.2755838 -3.2153296 11 P -3.3095103 0.1149671 0.1247348 0.0044787 -3.3154670 -0.2399240 0.0944873 -0.2342565 -2.4827578 12 P -3.3095103 -0.1149671 0.1247348 -0.0044787 -3.3154670 0.2399240 0.0944873 0.2342565 -2.4827578 13 Sr 2.5039832 0.2930179 -0.0128163 0.3438597 2.9349984 -0.1363034 -0.0915660 -0.1876672 2.3185418 14 Sr 2.5039832 -0.2930179 -0.0128163 -0.3438597 2.9349984 0.1363034 -0.0915660 0.1876672 2.3185418 15 Sr 2.5039832 0.2930179 -0.0128163 0.3438597 2.9349984 -0.1363034 -0.0915660 -0.1876672 2.3185418 16 Sr 2.5039832 -0.2930179 -0.0128163 -0.3438597 2.9349984 0.1363034 -0.0915660 0.1876672 2.3185418 17 Sr 3.1717788 0.0000000 -0.1280131 0.0000000 1.8738650 0.0000000 0.3390235 0.0000000 2.3374078 18 Sr 3.1717788 0.0000000 -0.1280131 0.0000000 1.8738650 0.0000000 0.3390235 0.0000000 2.3374078 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (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 ... [ 6 6 8 ] 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: 0.55, Number of G-points: 309, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/89) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 89 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 1.819 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.531 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.805 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 7.059 ( 0.000 0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.738 ( 0.000 0.000 0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 10.587 ( 0.000 0.000 0.000) 0.000 10.831 ( 0.000 0.000 0.000) 0.000 11.127 ( 0.000 0.000 0.000) 0.000 11.403 ( 0.000 0.000 0.000) 0.000 11.464 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 0.000) 0.000 11.641 ( 0.000 0.000 0.000) 0.000 11.861 ( 0.000 0.000 0.000) 0.000 12.277 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/89) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 15.815 -22.991 7.267) 28.836 0.741 ( 26.152 -23.210 -5.236) 35.356 1.176 ( 25.792 -48.564 1.312) 55.004 1.831 ( 0.567 -1.305 0.231) 1.442 2.160 ( -1.595 9.353 -0.108) 9.488 2.217 ( -0.160 -2.194 2.252) 3.149 2.469 ( -3.050 -5.248 -1.965) 6.380 2.560 ( -0.799 4.899 4.337) 6.591 2.858 ( -1.005 -0.615 0.054) 1.180 2.942 ( -1.103 -4.765 1.032) 4.999 2.947 ( 0.577 -5.455 1.668) 5.733 3.215 ( -10.992 -3.421 -2.414) 11.762 3.442 ( 0.644 1.822 1.590) 2.502 3.468 ( -2.648 -1.281 4.169) 5.103 3.577 ( 6.251 1.386 -0.024) 6.402 3.671 ( 0.669 5.481 -4.271) 6.981 3.794 ( -1.589 -2.426 -0.612) 2.964 3.931 ( 1.860 1.849 -1.298) 2.926 4.072 ( -2.359 4.968 1.422) 5.681 4.226 ( -1.161 -3.972 -8.666) 9.603 4.373 ( 3.103 -4.856 2.586) 6.317 4.599 ( 1.705 -0.336 -1.529) 2.314 4.842 ( -1.143 -5.032 1.150) 5.287 5.043 ( 0.365 -0.830 3.692) 3.802 5.222 ( -4.663 7.109 0.749) 8.535 5.341 ( 1.562 12.319 -0.096) 12.418 5.550 ( 2.326 7.465 -5.734) 9.696 5.647 ( 4.517 -1.066 1.932) 5.027 5.775 ( 1.266 6.431 1.261) 6.674 5.904 ( 1.720 1.667 0.348) 2.420 6.168 ( 0.624 -9.793 1.305) 9.899 6.661 ( 0.366 5.586 0.623) 5.633 6.961 ( -2.292 -1.574 0.891) 2.920 7.068 ( 1.215 0.223 0.009) 1.236 7.217 ( -0.681 -1.305 0.921) 1.736 7.288 ( -1.019 -2.174 -1.195) 2.682 7.443 ( 7.458 3.755 -10.999) 13.809 7.644 ( -0.527 0.228 0.698) 0.904 8.619 ( -0.955 -0.617 -0.307) 1.178 8.730 ( 0.407 1.503 0.509) 1.638 9.043 ( -10.910 -7.843 0.383) 13.442 9.163 ( 0.195 1.682 -1.065) 2.001 9.479 ( -1.906 -0.031 -0.724) 2.039 9.599 ( 1.981 4.502 0.232) 4.924 10.614 ( 1.804 -4.511 -0.164) 4.861 10.671 ( -3.293 -3.711 -0.314) 4.972 10.872 ( 0.028 -5.118 0.284) 5.125 11.191 ( 6.953 6.255 -3.479) 9.978 11.458 ( -0.132 0.591 -1.395) 1.520 11.483 ( -4.533 0.601 -5.278) 6.983 11.622 ( -0.048 0.031 1.447) 1.448 11.887 ( 2.591 0.646 3.893) 4.721 12.239 ( -2.718 1.914 -0.138) 3.327 12.571 ( -10.119 -11.726 12.709) 20.035 ======================= Grid point 2 (3/89) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 13.513 -20.393 6.036) 25.197 1.402 ( 22.416 -18.869 -4.343) 29.620 1.808 ( -0.152 -1.271 0.608) 1.417 1.940 ( -3.388 11.424 -3.152) 12.325 2.225 ( 8.377 -16.393 2.836) 18.627 2.272 ( -3.844 -5.507 -0.800) 6.763 2.330 ( 4.270 -7.818 3.347) 9.516 2.588 ( 1.981 -4.705 -0.378) 5.119 2.834 ( -3.470 0.164 0.076) 3.474 2.984 ( -1.599 -3.060 3.642) 5.019 3.111 ( 4.434 -4.124 0.726) 6.099 3.164 ( -6.203 -7.176 -1.857) 9.666 3.402 ( -1.772 3.066 -0.457) 3.570 3.434 ( -5.055 -0.328 3.328) 6.061 3.616 ( -0.603 0.242 -0.931) 1.136 3.632 ( 5.688 2.522 -3.811) 7.296 3.769 ( -4.427 1.500 -2.581) 5.340 3.877 ( -2.420 1.306 -1.958) 3.376 4.018 ( 3.154 3.859 3.763) 6.245 4.270 ( -3.527 -3.785 -6.909) 8.632 4.455 ( 2.686 -0.313 0.214) 2.712 4.599 ( -0.302 3.167 -1.240) 3.415 4.897 ( -1.444 -1.673 3.331) 3.997 4.973 ( -0.539 9.243 2.813) 9.677 5.075 ( -0.290 -1.018 0.774) 1.311 5.270 ( 1.130 -0.016 2.153) 2.431 5.451 ( 0.787 5.193 -4.278) 6.774 5.600 ( -1.574 9.088 -0.954) 9.272 5.760 ( 0.772 -2.161 0.648) 2.384 5.889 ( 3.213 2.807 -0.766) 4.334 6.339 ( -0.533 -9.537 1.438) 9.660 6.563 ( 1.026 6.707 0.224) 6.789 6.961 ( -0.743 -0.744 0.461) 1.148 7.073 ( 0.835 0.832 0.279) 1.211 7.232 ( 0.559 -0.495 0.006) 0.746 7.320 ( -0.585 -2.701 -1.259) 3.037 7.471 ( 1.897 0.241 -3.585) 4.063 7.631 ( -0.576 0.272 0.660) 0.917 8.622 ( -1.442 -1.662 -1.121) 2.470 8.696 ( 0.591 3.217 0.921) 3.398 9.025 ( -4.667 -2.067 1.486) 5.317 9.142 ( 0.589 0.926 -1.327) 1.722 9.434 ( -1.762 1.478 -0.566) 2.368 9.586 ( 2.254 1.057 0.068) 2.491 10.658 ( -0.122 -0.622 -0.001) 0.633 10.721 ( 0.820 -2.462 -0.356) 2.620 10.991 ( 0.820 -7.404 0.705) 7.482 11.172 ( 1.824 2.709 -2.093) 3.879 11.410 ( -2.017 1.641 -3.838) 4.636 11.442 ( -0.395 0.965 0.465) 1.142 11.646 ( 1.008 -1.306 1.369) 2.143 11.884 ( 0.751 1.933 3.059) 3.696 12.167 ( -2.881 1.837 -0.266) 3.428 12.640 ( -3.032 -5.886 3.795) 7.632 ======================= Grid point 3 (4/89) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -0.000 0.000 -0.000) 0.000 1.622 ( 0.000 -0.000 0.000) 0.000 1.820 ( -0.000 0.000 0.000) 0.000 1.923 ( -0.000 0.000 0.000) 0.000 1.951 ( 0.000 -0.000 -0.000) 0.000 2.264 ( 0.000 -0.000 0.000) 0.000 2.587 ( 0.000 -0.000 -0.000) 0.000 2.795 ( 0.000 -0.000 -0.000) 0.000 2.945 ( -0.000 0.000 -0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 -0.000 0.000) 0.000 3.238 ( 0.000 -0.000 -0.000) 0.000 3.284 ( 0.000 -0.000 -0.000) 0.000 3.391 ( 0.000 -0.000 -0.000) 0.000 3.517 ( 0.000 -0.000 0.000) 0.000 3.670 ( 0.000 -0.000 0.000) 0.000 3.745 ( 0.000 -0.000 -0.000) 0.000 3.854 ( 0.000 -0.000 -0.000) 0.000 3.996 ( 0.000 -0.000 0.000) 0.000 4.247 ( 0.000 -0.000 0.000) 0.000 4.482 ( 0.000 -0.000 -0.000) 0.000 4.537 ( 0.000 -0.000 0.000) 0.000 4.868 ( 0.000 -0.000 0.000) 0.000 5.000 ( 0.000 -0.000 0.000) 0.000 5.008 ( -0.000 0.000 -0.000) 0.000 5.373 ( 0.000 0.000 -0.000) 0.000 5.419 ( 0.000 -0.000 0.000) 0.000 5.425 ( -0.000 0.000 -0.000) 0.000 5.782 ( 0.000 -0.000 -0.000) 0.000 5.892 ( 0.000 -0.000 -0.000) 0.000 6.443 ( 0.000 -0.000 -0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 -0.000 -0.000) 0.000 7.069 ( 0.000 -0.000 0.000) 0.000 7.241 ( 0.000 -0.000 -0.000) 0.000 7.343 ( 0.000 -0.000 0.000) 0.000 7.479 ( 0.000 -0.000 -0.000) 0.000 7.625 ( 0.000 -0.000 -0.000) 0.000 8.634 ( -0.000 -0.000 -0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 -0.000 -0.000) 0.000 9.142 ( 0.000 -0.000 -0.000) 0.000 9.409 ( 0.000 -0.000 0.000) 0.000 9.595 ( 0.000 -0.000 -0.000) 0.000 10.661 ( 0.000 -0.000 -0.000) 0.000 10.746 ( 0.000 -0.000 0.000) 0.000 11.077 ( 0.000 -0.000 0.000) 0.000 11.151 ( 0.000 -0.000 0.000) 0.000 11.387 ( -0.000 -0.000 0.000) 0.000 11.427 ( 0.000 -0.000 -0.000) 0.000 11.667 ( 0.000 -0.000 0.000) 0.000 11.869 ( 0.000 -0.000 -0.000) 0.000 12.128 ( 0.000 -0.000 0.000) 0.000 12.672 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 8 (5/89) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 25.539 -0.000 16.770) 30.553 0.823 ( 30.908 -0.000 5.185) 31.340 1.370 ( 49.004 -0.000 -9.535) 49.923 1.848 ( 4.103 -0.000 1.094) 4.246 2.184 ( 0.827 -0.000 2.815) 2.934 2.257 ( -4.624 0.000 1.898) 4.998 2.355 ( -1.832 0.000 -3.909) 4.317 2.626 ( 1.135 -0.000 6.063) 6.168 2.785 ( -6.583 0.000 0.245) 6.588 2.867 ( -4.493 0.000 2.712) 5.248 2.914 ( 3.901 -0.000 0.761) 3.974 3.038 ( -9.017 0.000 -3.706) 9.749 3.401 ( -6.704 0.000 4.811) 8.252 3.476 ( 1.419 -0.000 1.653) 2.179 3.643 ( 2.164 -0.000 -0.117) 2.168 3.724 ( -3.811 0.000 -0.437) 3.836 3.772 ( 2.485 -0.000 -2.286) 3.377 3.987 ( -9.928 0.000 -14.391) 17.483 4.004 ( 3.860 -0.000 1.117) 4.018 4.203 ( 2.234 -0.000 0.554) 2.302 4.391 ( 5.480 -0.000 1.695) 5.736 4.625 ( 3.454 -0.000 -2.180) 4.085 4.853 ( 3.048 -0.000 3.504) 4.644 5.073 ( 2.852 -0.000 4.420) 5.260 5.273 ( -3.248 0.000 -0.794) 3.343 5.377 ( -5.520 0.000 -1.165) 5.642 5.600 ( -3.273 0.000 -6.753) 7.504 5.729 ( 0.046 -0.000 1.451) 1.451 5.849 ( 0.410 -0.000 -1.515) 1.570 5.899 ( -2.105 0.000 6.051) 6.406 6.086 ( 1.447 -0.000 -1.581) 2.143 6.726 ( 1.145 -0.000 0.225) 1.167 6.915 ( -0.517 0.000 1.523) 1.608 7.063 ( -0.179 0.000 -2.145) 2.152 7.236 ( 2.853 -0.000 5.400) 6.107 7.256 ( -0.777 0.000 -4.095) 4.168 7.563 ( -2.934 0.000 -15.931) 16.199 7.635 ( -1.018 0.000 -0.038) 1.018 8.600 ( -2.074 0.000 0.658) 2.176 8.749 ( 0.669 -0.000 0.735) 0.994 8.781 ( -0.901 0.000 1.580) 1.819 9.176 ( -0.022 0.000 -1.657) 1.657 9.488 ( 0.112 -0.000 -0.159) 0.194 9.660 ( 1.337 -0.000 0.435) 1.406 10.616 ( 5.160 -0.000 0.437) 5.179 10.619 ( 2.326 -0.000 -1.249) 2.640 10.814 ( -1.090 0.000 3.378) 3.550 11.375 ( -3.032 0.000 -2.830) 4.148 11.424 ( 1.100 -0.000 -9.997) 10.057 11.468 ( 0.332 -0.000 1.046) 1.098 11.571 ( -3.985 0.000 0.098) 3.987 11.819 ( -3.078 0.000 -2.075) 3.712 12.306 ( -1.322 0.000 22.760) 22.799 12.356 ( 5.447 -0.000 0.315) 5.456 ======================= Grid point 9 (6/89) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 19.306 -10.580 10.769) 24.508 1.412 ( 25.203 -19.070 2.216) 31.682 1.788 ( 2.761 -2.255 -2.380) 4.286 2.078 ( -5.113 10.596 -1.352) 11.843 2.180 ( 28.695 -9.691 -2.557) 30.395 2.221 ( 4.196 -1.891 2.969) 5.477 2.345 ( 0.909 -0.062 -0.487) 1.033 2.566 ( 1.342 1.777 1.984) 2.983 2.767 ( -6.282 -2.678 -1.392) 6.969 2.855 ( -4.939 -6.927 4.044) 9.419 2.996 ( -2.478 -3.814 -3.246) 5.587 3.064 ( 6.652 -8.981 1.220) 11.243 3.320 ( -6.620 -0.420 3.120) 7.331 3.462 ( -0.470 2.742 0.541) 2.834 3.632 ( 0.741 1.029 1.824) 2.221 3.715 ( -3.544 -1.380 -3.077) 4.892 3.752 ( 0.448 3.821 0.582) 3.891 3.841 ( -3.996 1.427 -12.346) 13.055 4.049 ( -2.174 -0.935 1.503) 2.804 4.228 ( 1.705 0.563 -2.111) 2.771 4.479 ( 4.056 -2.061 0.687) 4.601 4.651 ( 2.444 2.913 -1.505) 4.089 4.900 ( 2.641 -0.800 4.224) 5.046 5.067 ( -0.426 3.978 1.439) 4.252 5.137 ( 0.961 6.651 1.351) 6.855 5.337 ( -2.032 3.551 0.016) 4.091 5.446 ( -9.530 3.258 -5.276) 11.370 5.669 ( -1.880 3.107 2.759) 4.561 5.802 ( 0.256 4.586 -0.781) 4.659 5.948 ( 1.026 -1.902 -0.170) 2.168 6.174 ( 0.831 -7.792 -0.823) 7.879 6.683 ( 1.239 5.926 0.296) 6.061 6.927 ( -0.916 -1.747 1.434) 2.439 7.061 ( -1.955 -0.825 -0.987) 2.341 7.262 ( 0.977 -0.935 1.868) 2.306 7.283 ( 2.825 -0.755 -2.821) 4.063 7.495 ( -1.286 1.953 -4.952) 5.476 7.623 ( -0.915 -0.116 0.091) 0.926 8.576 ( -2.080 -0.850 -0.988) 2.454 8.741 ( 0.161 1.558 0.928) 1.820 8.859 ( -3.569 -7.948 1.829) 8.902 9.168 ( 0.296 0.885 -1.950) 2.162 9.459 ( -0.118 2.818 -0.469) 2.859 9.654 ( 1.995 2.508 0.569) 3.255 10.666 ( 2.127 -0.761 -1.876) 2.936 10.696 ( 3.267 -1.466 1.100) 3.746 10.877 ( 1.157 -7.398 2.583) 7.921 11.259 ( -2.501 4.999 -3.095) 6.389 11.419 ( 0.282 1.793 -1.210) 2.181 11.459 ( 0.292 1.103 -0.624) 1.300 11.567 ( -2.763 -3.583 -0.300) 4.535 11.852 ( -4.584 -6.604 -2.517) 8.424 12.184 ( -0.880 7.643 7.930) 11.049 12.533 ( 3.542 -7.628 3.323) 9.043 ======================= Grid point 10 (7/89) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 10.732 -12.041 4.928) 16.865 1.756 ( -5.189 12.345 0.365) 13.396 1.836 ( -2.125 3.290 -1.190) 4.093 1.961 ( 18.062 -10.433 -0.692) 20.870 2.026 ( -6.521 13.350 -1.282) 14.913 2.298 ( 5.497 -0.006 2.224) 5.930 2.583 ( -0.857 -0.382 0.562) 1.093 2.759 ( -0.947 -8.133 -1.405) 8.308 2.874 ( -1.672 -11.033 2.008) 11.338 2.946 ( 13.099 -8.332 0.926) 15.552 3.062 ( 2.005 -2.794 -2.417) 4.204 3.252 ( -3.520 -1.114 0.654) 3.750 3.299 ( 6.767 -5.829 0.563) 8.949 3.388 ( -3.080 2.296 -0.616) 3.890 3.583 ( -0.767 6.648 -1.304) 6.818 3.653 ( -1.797 -0.565 1.066) 2.164 3.754 ( 1.566 -3.078 -1.113) 3.629 3.840 ( 1.230 0.527 -4.929) 5.108 3.990 ( -4.030 1.363 1.744) 4.598 4.235 ( 1.408 -0.035 -2.886) 3.211 4.519 ( 1.438 2.179 0.296) 2.627 4.579 ( -0.144 5.324 0.350) 5.337 4.896 ( -0.624 2.753 5.235) 5.948 5.007 ( -1.641 0.986 -3.496) 3.986 5.074 ( 2.291 5.895 1.143) 6.427 5.270 ( -2.546 -4.232 0.482) 4.962 5.355 ( -4.836 -2.747 -0.294) 5.570 5.569 ( 0.219 9.358 -2.071) 9.587 5.739 ( -2.453 -0.195 2.428) 3.457 5.957 ( 1.633 2.870 -0.900) 3.423 6.313 ( -0.877 -8.361 0.013) 8.407 6.592 ( 1.005 6.544 -0.366) 6.631 6.946 ( -0.362 -1.529 1.381) 2.092 7.041 ( -2.769 -0.833 -1.228) 3.141 7.277 ( 1.635 1.384 3.083) 3.755 7.339 ( 2.278 -1.493 -5.732) 6.346 7.465 ( -1.718 -0.156 1.674) 2.404 7.619 ( -0.281 -0.421 -0.552) 0.750 8.581 ( -1.423 -2.531 -1.294) 3.179 8.706 ( 0.044 2.591 1.213) 2.861 8.931 ( -2.262 -5.772 1.546) 6.390 9.160 ( 0.673 0.864 -1.561) 1.907 9.421 ( 0.401 1.401 -0.741) 1.635 9.633 ( 1.167 2.772 0.664) 3.080 10.686 ( 1.996 1.162 -2.144) 3.151 10.738 ( 0.250 -0.793 1.823) 2.004 11.024 ( 1.731 -5.738 1.597) 6.202 11.183 ( -0.747 0.796 -2.294) 2.540 11.384 ( -1.451 2.022 2.885) 3.810 11.448 ( 1.516 1.153 -1.938) 2.717 11.584 ( -3.860 -3.052 -1.400) 5.116 11.907 ( -0.204 -4.006 -3.237) 5.154 12.068 ( -2.996 2.596 5.489) 6.770 12.675 ( 3.792 -3.689 0.793) 5.349 ======================= Grid point 11 (8/89) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -7.028 21.016 -0.873) 22.177 1.569 ( -7.510 23.043 0.842) 24.251 1.780 ( 4.546 -9.513 0.187) 10.545 1.846 ( -0.749 -0.515 1.004) 1.354 2.295 ( 9.074 -6.809 -1.829) 11.491 2.333 ( 3.259 4.080 0.606) 5.257 2.566 ( -0.623 0.875 0.942) 1.429 2.729 ( -6.314 26.945 1.014) 27.693 2.868 ( 1.429 -0.180 -1.088) 1.805 2.988 ( -2.578 -6.985 -1.908) 7.686 3.088 ( -0.051 1.784 -1.329) 2.225 3.316 ( -0.020 1.869 1.225) 2.234 3.365 ( 3.219 -3.255 -0.607) 4.618 3.422 ( 1.263 -4.770 -1.336) 5.113 3.576 ( -1.249 2.010 2.071) 3.145 3.677 ( 7.050 -1.121 2.503) 7.565 3.795 ( -0.865 1.081 -1.122) 1.782 3.841 ( -0.208 -4.782 -0.186) 4.790 3.938 ( -2.606 2.038 -0.724) 3.387 4.331 ( 5.174 -4.998 -1.182) 7.290 4.466 ( -1.119 3.678 2.135) 4.398 4.528 ( -1.644 -1.242 0.203) 2.070 4.856 ( -1.225 -0.430 0.968) 1.619 4.991 ( 4.780 -2.754 -3.162) 6.358 5.082 ( 1.518 -0.840 0.322) 1.764 5.289 ( -7.610 -3.804 2.530) 8.876 5.373 ( -0.219 11.276 -4.644) 12.197 5.452 ( 0.677 -9.181 2.810) 9.625 5.753 ( -0.925 -3.654 2.212) 4.371 5.888 ( -0.556 6.221 -1.133) 6.348 6.428 ( -0.375 -6.606 -0.478) 6.634 6.487 ( -0.403 6.783 -0.388) 6.806 6.969 ( 0.818 -0.780 1.128) 1.597 7.026 ( -2.430 -1.515 -1.379) 3.178 7.267 ( 1.236 1.783 1.607) 2.700 7.369 ( 2.029 1.203 -4.226) 4.840 7.441 ( -2.745 0.102 4.084) 4.922 7.628 ( 0.167 -0.660 -0.602) 0.908 8.623 ( -0.388 -3.867 -0.993) 4.011 8.669 ( 0.258 2.041 1.031) 2.301 9.007 ( -0.066 -5.435 0.705) 5.481 9.150 ( 0.391 1.153 -0.725) 1.417 9.428 ( 0.957 -1.286 -0.485) 1.675 9.592 ( -0.172 2.883 0.565) 2.943 10.688 ( 1.821 1.207 -2.122) 3.046 10.730 ( -1.237 0.779 2.233) 2.668 11.055 ( -1.023 1.213 -0.074) 1.588 11.196 ( 2.926 4.164 0.063) 5.090 11.357 ( -2.432 -5.260 3.756) 6.906 11.459 ( 2.337 0.643 -0.777) 2.545 11.567 ( -4.864 -1.906 -3.193) 6.123 11.928 ( 2.513 3.744 -1.681) 4.812 12.081 ( -2.358 -7.849 2.236) 8.495 12.747 ( 3.434 0.579 -0.770) 3.567 ======================= Grid point 12 (9/89) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.000 25.896 0.000) 25.896 1.057 ( 0.000 30.230 0.000) 30.230 1.790 ( 0.000 13.121 0.000) 13.121 1.974 ( 0.000 37.172 0.000) 37.172 1.994 ( -0.000 -11.119 -0.000) 11.119 2.298 ( 0.000 6.771 0.000) 6.771 2.465 ( -0.000 -6.408 -0.000) 6.408 2.568 ( 0.000 1.979 0.000) 1.979 2.874 ( 0.000 1.021 0.000) 1.021 3.017 ( 0.000 2.693 0.000) 2.693 3.027 ( 0.000 4.258 0.000) 4.258 3.317 ( -0.000 -0.832 -0.000) 0.832 3.443 ( -0.000 -0.979 -0.000) 0.979 3.469 ( -0.000 -1.237 -0.000) 1.237 3.586 ( -0.000 -6.044 -0.000) 6.044 3.589 ( 0.000 10.559 0.000) 10.559 3.826 ( -0.000 -0.254 -0.000) 0.254 3.888 ( -0.000 -0.641 -0.000) 0.641 3.957 ( -0.000 -7.999 -0.000) 7.999 4.326 ( 0.000 5.999 0.000) 5.999 4.422 ( 0.000 2.595 0.000) 2.595 4.573 ( -0.000 -2.459 -0.000) 2.459 4.964 ( -0.000 -11.594 -0.000) 11.594 5.012 ( 0.000 8.453 0.000) 8.453 5.203 ( -0.000 -0.603 -0.000) 0.603 5.223 ( -0.000 -0.931 -0.000) 0.931 5.285 ( -0.000 -10.607 -0.000) 10.607 5.627 ( -0.000 -9.901 -0.000) 9.901 5.750 ( 0.000 8.314 0.000) 8.314 5.830 ( -0.000 -5.073 -0.000) 5.073 6.335 ( 0.000 10.164 0.000) 10.164 6.548 ( -0.000 -7.309 -0.000) 7.309 6.985 ( -0.000 -0.109 -0.000) 0.109 7.034 ( -0.000 -1.560 -0.000) 1.560 7.254 ( 0.000 1.166 0.000) 1.166 7.350 ( 0.000 3.064 0.000) 3.064 7.397 ( 0.000 1.850 0.000) 1.850 7.640 ( -0.000 -0.550 -0.000) 0.550 8.642 ( 0.000 1.404 0.000) 1.404 8.686 ( -0.000 -3.492 -0.000) 3.492 9.099 ( -0.000 -4.868 -0.000) 4.868 9.137 ( 0.000 0.545 0.000) 0.545 9.487 ( -0.000 -4.750 -0.000) 4.750 9.540 ( 0.000 2.777 0.000) 2.777 10.676 ( 0.000 3.183 0.000) 3.183 10.707 ( -0.000 -0.241 -0.000) 0.241 10.980 ( 0.000 7.124 0.000) 7.124 11.134 ( 0.000 2.134 0.000) 2.134 11.441 ( -0.000 -2.291 -0.000) 2.291 11.520 ( -0.000 -5.720 -0.000) 5.720 11.531 ( -0.000 -0.016 -0.000) 0.016 11.886 ( 0.000 2.621 0.000) 2.621 12.190 ( -0.000 -5.799 -0.000) 5.799 12.740 ( 0.000 3.302 0.000) 3.302 ======================= Grid point 15 (10/89) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 17.424 -0.000 10.972) 20.590 1.545 ( 24.933 -0.000 4.818) 25.394 1.790 ( 0.091 -0.000 -2.625) 2.626 2.114 ( -5.044 0.000 0.602) 5.080 2.236 ( 1.008 -0.000 2.365) 2.571 2.315 ( 1.428 -0.000 -4.436) 4.660 2.577 ( -10.197 0.000 -3.872) 10.907 2.605 ( 31.639 -0.000 -0.415) 31.642 2.677 ( 6.199 -0.000 2.189) 6.574 2.694 ( -8.080 0.000 3.323) 8.736 2.990 ( 5.985 -0.000 -3.798) 7.088 3.050 ( 4.804 -0.000 0.478) 4.828 3.249 ( -3.811 0.000 2.964) 4.828 3.465 ( -3.473 0.000 1.889) 3.954 3.615 ( -4.487 0.000 -0.163) 4.490 3.694 ( 3.009 -0.000 2.186) 3.719 3.718 ( -6.715 0.000 -8.285) 10.665 3.876 ( 5.619 -0.000 -7.331) 9.237 4.001 ( -4.387 0.000 0.887) 4.476 4.265 ( 2.178 -0.000 1.042) 2.414 4.508 ( 3.552 -0.000 0.272) 3.562 4.724 ( 3.308 -0.000 -0.408) 3.333 4.906 ( 0.133 -0.000 4.399) 4.401 5.133 ( 1.003 -0.000 3.058) 3.218 5.213 ( -15.879 0.000 -7.265) 17.462 5.213 ( -1.649 0.000 -1.852) 2.480 5.386 ( -1.469 0.000 3.484) 3.781 5.703 ( -2.386 0.000 1.462) 2.799 5.829 ( -1.492 0.000 -0.992) 1.792 5.891 ( 0.352 -0.000 -0.450) 0.571 6.157 ( 3.455 -0.000 -1.753) 3.874 6.759 ( 1.258 -0.000 -0.048) 1.259 6.899 ( -0.439 0.000 0.395) 0.590 7.014 ( -3.537 0.000 0.310) 3.551 7.255 ( 1.135 -0.000 -3.753) 3.921 7.323 ( 2.866 -0.000 3.300) 4.371 7.486 ( -2.333 0.000 -3.824) 4.480 7.609 ( -0.783 0.000 0.195) 0.807 8.543 ( -2.052 0.000 -0.752) 2.186 8.757 ( -0.903 0.000 1.702) 1.927 8.766 ( 0.513 -0.000 0.533) 0.740 9.176 ( 0.024 -0.000 -1.629) 1.629 9.487 ( -0.187 0.000 -0.086) 0.206 9.696 ( 1.226 -0.000 0.508) 1.327 10.678 ( 1.464 -0.000 -1.646) 2.202 10.770 ( 5.884 -0.000 -0.128) 5.885 10.815 ( 2.071 -0.000 4.504) 4.958 11.215 ( -8.342 0.000 -3.177) 8.927 11.452 ( 0.906 -0.000 -0.375) 0.981 11.489 ( 1.615 -0.000 1.270) 2.054 11.513 ( -0.714 0.000 -0.648) 0.964 11.718 ( -4.423 0.000 -3.131) 5.419 12.272 ( -1.483 0.000 6.870) 7.028 12.504 ( 5.125 -0.000 0.538) 5.153 ======================= Grid point 16 (11/89) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 8.789 -4.405 4.661) 10.880 1.794 ( -0.434 -1.220 -1.079) 1.686 1.928 ( 1.097 5.674 3.176) 6.594 2.013 ( 13.953 -7.562 -0.842) 15.893 2.166 ( -1.034 7.895 0.839) 8.006 2.378 ( 4.345 -2.348 -1.452) 5.148 2.477 ( -10.410 -5.111 -2.444) 11.852 2.558 ( -3.915 0.671 2.306) 4.593 2.757 ( -0.745 -5.343 2.898) 6.124 3.021 ( 12.441 -6.956 -1.851) 14.373 3.100 ( 9.068 -0.907 -4.036) 9.967 3.144 ( -0.829 -2.987 -0.366) 3.122 3.282 ( 3.212 -4.682 2.071) 6.043 3.388 ( -2.644 0.360 2.802) 3.869 3.569 ( -5.841 -1.657 -0.890) 6.136 3.638 ( -1.975 0.886 -5.087) 5.529 3.738 ( 3.159 0.199 1.320) 3.430 3.903 ( -3.345 3.076 -1.358) 4.743 3.996 ( 8.979 0.321 -1.413) 9.095 4.273 ( 1.197 1.511 0.294) 1.950 4.559 ( 2.919 -0.227 0.783) 3.031 4.690 ( -1.106 7.019 -0.210) 7.109 4.898 ( -4.968 -0.871 5.012) 7.110 4.949 ( -8.810 0.360 -5.054) 10.163 5.154 ( -3.683 -1.775 0.267) 4.097 5.233 ( 2.700 1.285 0.518) 3.034 5.302 ( -0.424 7.530 0.141) 7.543 5.650 ( -0.186 0.323 0.542) 0.658 5.778 ( -1.291 6.279 -0.257) 6.416 5.952 ( -0.230 -4.895 -0.026) 4.901 6.214 ( 1.425 -3.026 -0.913) 3.467 6.712 ( 0.741 6.122 -0.080) 6.167 6.919 ( 0.814 -1.720 0.395) 1.943 6.980 ( -3.556 -1.334 -0.102) 3.800 7.286 ( 0.819 -1.503 -0.758) 1.872 7.360 ( 2.140 -0.655 -0.546) 2.304 7.448 ( -1.558 1.176 0.085) 1.954 7.607 ( -0.294 -0.506 -0.233) 0.630 8.532 ( -1.068 -1.309 -0.566) 1.782 8.735 ( -0.413 1.292 0.617) 1.490 8.817 ( -0.419 -4.890 0.757) 4.966 9.174 ( 0.173 0.220 -0.932) 0.973 9.460 ( 0.106 2.373 -0.204) 2.384 9.689 ( 0.676 2.204 0.378) 2.336 10.706 ( 0.534 -1.622 -1.003) 1.980 10.767 ( 2.167 3.390 0.722) 4.088 10.958 ( 4.620 -7.229 2.575) 8.957 11.118 ( -6.511 -1.130 -2.785) 7.171 11.436 ( 0.212 3.875 0.781) 3.958 11.482 ( 0.939 0.257 0.078) 0.977 11.526 ( -0.260 -0.228 -0.176) 0.388 11.740 ( -3.048 -8.206 -2.073) 8.996 12.170 ( -0.458 8.117 2.890) 8.628 12.629 ( 2.584 -6.438 0.509) 6.956 ======================= Grid point 17 (12/89) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.000 2.803 0.000) 2.803 1.697 ( 0.000 7.689 0.000) 7.689 1.823 ( -0.000 -1.656 -0.000) 1.656 1.902 ( 0.000 18.084 0.000) 18.084 2.293 ( -0.000 -2.293 -0.000) 2.293 2.432 ( 0.000 3.668 0.000) 3.668 2.509 ( -0.000 -4.655 -0.000) 4.655 2.675 ( -0.000 -22.084 -0.000) 22.084 2.835 ( -0.000 -3.898 -0.000) 3.898 3.053 ( 0.000 12.134 0.000) 12.134 3.161 ( 0.000 2.707 0.000) 2.707 3.233 ( -0.000 -9.143 -0.000) 9.143 3.278 ( -0.000 -2.789 -0.000) 2.789 3.464 ( 0.000 2.734 0.000) 2.734 3.603 ( -0.000 -8.589 -0.000) 8.589 3.641 ( -0.000 -0.948 -0.000) 0.948 3.763 ( -0.000 -2.343 -0.000) 2.343 3.813 ( 0.000 3.643 0.000) 3.643 4.021 ( 0.000 5.307 0.000) 5.307 4.284 ( -0.000 -2.988 -0.000) 2.988 4.520 ( 0.000 6.981 0.000) 6.981 4.572 ( 0.000 3.499 0.000) 3.499 4.889 ( 0.000 3.577 0.000) 3.577 4.906 ( -0.000 -6.163 -0.000) 6.163 5.128 ( 0.000 6.065 0.000) 6.065 5.177 ( -0.000 -4.326 -0.000) 4.326 5.328 ( -0.000 -5.493 -0.000) 5.493 5.596 ( 0.000 12.949 0.000) 12.949 5.686 ( -0.000 -3.010 -0.000) 3.010 5.973 ( 0.000 2.727 0.000) 2.727 6.304 ( -0.000 -6.925 -0.000) 6.925 6.604 ( 0.000 7.092 0.000) 7.092 6.964 ( -0.000 -1.284 -0.000) 1.284 6.972 ( -0.000 -1.972 -0.000) 1.972 7.298 ( 0.000 0.783 0.000) 0.783 7.399 ( -0.000 -1.388 -0.000) 1.388 7.415 ( 0.000 1.014 0.000) 1.014 7.616 ( -0.000 -0.776 -0.000) 0.776 8.561 ( -0.000 -3.000 -0.000) 3.000 8.705 ( 0.000 2.007 0.000) 2.007 8.906 ( -0.000 -6.054 -0.000) 6.054 9.169 ( 0.000 0.696 0.000) 0.696 9.431 ( 0.000 1.007 0.000) 1.007 9.646 ( 0.000 3.329 0.000) 3.329 10.727 ( -0.000 -0.096 -0.000) 0.096 10.732 ( 0.000 2.149 0.000) 2.149 11.055 ( 0.000 0.027 0.000) 0.027 11.170 ( -0.000 -10.305 -0.000) 10.305 11.342 ( 0.000 6.735 0.000) 6.735 11.502 ( 0.000 1.571 0.000) 1.571 11.508 ( -0.000 -1.398 -0.000) 1.398 11.889 ( -0.000 -11.161 -0.000) 11.161 12.040 ( 0.000 6.907 0.000) 6.907 12.737 ( -0.000 -4.051 -0.000) 4.051 ======================= Grid point 23 (13/89) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.000 -0.000 0.000) 0.000 1.773 ( 0.000 -0.000 0.000) 0.000 1.981 ( 0.000 -0.000 -0.000) 0.000 2.049 ( 0.000 -0.000 -0.000) 0.000 2.228 ( 0.000 -0.000 -0.000) 0.000 2.283 ( 0.000 -0.000 -0.000) 0.000 2.492 ( -0.000 0.000 0.000) 0.000 2.499 ( 0.000 -0.000 -0.000) 0.000 2.702 ( 0.000 -0.000 0.000) 0.000 2.997 ( 0.000 -0.000 0.000) 0.000 3.151 ( 0.000 -0.000 -0.000) 0.000 3.224 ( -0.000 0.000 0.000) 0.000 3.270 ( 0.000 -0.000 0.000) 0.000 3.296 ( 0.000 -0.000 -0.000) 0.000 3.527 ( -0.000 0.000 -0.000) 0.000 3.618 ( 0.000 -0.000 0.000) 0.000 3.779 ( 0.000 -0.000 -0.000) 0.000 3.879 ( 0.000 -0.000 0.000) 0.000 4.115 ( 0.000 -0.000 0.000) 0.000 4.295 ( 0.000 -0.000 -0.000) 0.000 4.609 ( 0.000 -0.000 0.000) 0.000 4.712 ( 0.000 -0.000 -0.000) 0.000 4.768 ( 0.000 -0.000 0.000) 0.000 4.914 ( 0.000 -0.000 -0.000) 0.000 5.134 ( 0.000 -0.000 -0.000) 0.000 5.223 ( 0.000 -0.000 -0.000) 0.000 5.448 ( 0.000 -0.000 -0.000) 0.000 5.636 ( 0.000 -0.000 -0.000) 0.000 5.805 ( 0.000 -0.000 0.000) 0.000 5.896 ( 0.000 -0.000 0.000) 0.000 6.210 ( 0.000 -0.000 -0.000) 0.000 6.778 ( 0.000 -0.000 0.000) 0.000 6.921 ( -0.000 0.000 0.000) 0.000 6.927 ( 0.000 -0.000 -0.000) 0.000 7.274 ( 0.000 -0.000 0.000) 0.000 7.363 ( 0.000 -0.000 -0.000) 0.000 7.454 ( 0.000 -0.000 -0.000) 0.000 7.600 ( 0.000 -0.000 0.000) 0.000 8.513 ( 0.000 -0.000 0.000) 0.000 8.744 ( 0.000 -0.000 0.000) 0.000 8.773 ( 0.000 -0.000 0.000) 0.000 9.176 ( 0.000 -0.000 -0.000) 0.000 9.483 ( 0.000 -0.000 0.000) 0.000 9.713 ( 0.000 -0.000 0.000) 0.000 10.689 ( 0.000 -0.000 0.000) 0.000 10.857 ( 0.000 -0.000 -0.000) 0.000 10.891 ( 0.000 -0.000 -0.000) 0.000 11.057 ( 0.000 -0.000 -0.000) 0.000 11.462 ( 0.000 -0.000 0.000) 0.000 11.507 ( 0.000 -0.000 0.000) 0.000 11.537 ( -0.000 0.000 -0.000) 0.000 11.632 ( 0.000 -0.000 0.000) 0.000 12.252 ( 0.000 -0.000 0.000) 0.000 12.575 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 39 (14/89) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -25.390 0.000 26.427) 36.647 0.565 ( 4.751 -0.000 29.101) 29.486 0.932 ( 12.643 -0.000 45.570) 47.291 1.837 ( -0.642 0.000 2.574) 2.652 2.157 ( 2.345 -0.000 -2.286) 3.275 2.325 ( -3.052 0.000 -5.809) 6.562 2.499 ( 0.247 -0.000 -4.738) 4.744 2.663 ( 7.572 -0.000 2.511) 7.978 2.827 ( 1.870 -0.000 -5.223) 5.548 2.854 ( 0.054 -0.000 -2.313) 2.314 2.908 ( 1.177 -0.000 -0.812) 1.430 3.330 ( -4.730 0.000 4.735) 6.692 3.463 ( 5.107 -0.000 1.074) 5.219 3.483 ( 3.927 -0.000 0.067) 3.928 3.545 ( -1.546 0.000 1.065) 1.878 3.743 ( -3.614 0.000 1.739) 4.011 3.773 ( -0.997 0.000 0.113) 1.004 3.861 ( -0.330 0.000 -6.040) 6.049 4.199 ( -4.832 0.000 -6.041) 7.736 4.200 ( 0.659 -0.000 2.633) 2.714 4.592 ( -1.757 0.000 1.236) 2.148 4.610 ( 4.695 -0.000 -4.867) 6.763 4.993 ( -10.341 0.000 6.849) 12.403 5.040 ( -0.054 0.000 -0.140) 0.150 5.050 ( 3.697 -0.000 2.000) 4.204 5.326 ( -0.390 0.000 0.136) 0.413 5.570 ( -4.227 0.000 0.893) 4.321 5.598 ( 6.370 -0.000 6.519) 9.115 5.850 ( -1.430 0.000 1.237) 1.891 5.986 ( 7.519 -0.000 1.896) 7.754 6.047 ( -1.093 0.000 -2.242) 2.494 6.715 ( 0.175 -0.000 0.502) 0.532 6.925 ( 1.267 -0.000 -0.208) 1.284 7.038 ( -3.005 0.000 -5.953) 6.668 7.147 ( 0.784 -0.000 -6.294) 6.343 7.226 ( 1.823 -0.000 1.186) 2.175 7.329 ( -20.387 0.000 -4.324) 20.841 7.669 ( 2.052 -0.000 1.408) 2.488 8.690 ( 0.132 -0.000 -1.361) 1.367 8.800 ( 1.075 -0.000 0.401) 1.148 8.815 ( -1.418 0.000 4.699) 4.908 9.173 ( -1.375 0.000 -0.450) 1.447 9.483 ( -0.880 0.000 -0.162) 0.895 9.619 ( 0.358 -0.000 -2.061) 2.092 10.631 ( -1.022 0.000 0.592) 1.181 10.641 ( -0.836 0.000 5.081) 5.149 10.842 ( 2.698 -0.000 0.962) 2.865 11.134 ( -6.796 0.000 -0.934) 6.860 11.429 ( -2.355 0.000 2.819) 3.673 11.489 ( 0.943 -0.000 2.509) 2.680 11.622 ( 0.156 -0.000 -1.692) 1.699 11.849 ( 1.321 -0.000 -1.326) 1.871 12.297 ( 0.081 -0.000 1.903) 1.905 12.441 ( 21.220 -0.000 -0.416) 21.224 ======================= Grid point 40 (15/89) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 15.997 -20.109 7.556) 26.784 0.961 ( 14.099 -18.068 19.569) 30.136 1.495 ( 19.844 -34.382 27.719) 48.417 1.848 ( 0.981 -1.749 1.772) 2.676 2.162 ( -3.977 7.224 -2.754) 8.694 2.232 ( 0.818 0.642 -1.407) 1.750 2.442 ( -3.759 -0.519 -1.278) 4.004 2.648 ( 0.455 5.958 4.293) 7.358 2.831 ( -1.736 -0.605 -3.190) 3.682 2.922 ( 3.580 -6.534 -1.720) 7.646 2.973 ( 0.505 -5.634 0.491) 5.678 3.217 ( -12.157 -2.428 2.615) 12.670 3.468 ( -0.542 3.042 0.666) 3.161 3.494 ( 1.354 0.878 -2.400) 2.892 3.588 ( 6.232 0.617 1.230) 6.382 3.649 ( -7.385 2.847 2.516) 8.305 3.764 ( -1.806 -1.158 -2.300) 3.145 3.900 ( 3.116 1.137 -2.142) 3.948 4.057 ( -6.954 1.190 -4.978) 8.634 4.178 ( 1.842 3.604 2.715) 4.874 4.487 ( 0.898 1.735 7.468) 7.720 4.591 ( 0.719 -0.369 1.373) 1.593 4.888 ( -0.964 -6.546 3.699) 7.580 5.105 ( 2.270 0.537 1.936) 3.031 5.203 ( 0.341 0.729 -3.300) 3.397 5.357 ( -0.796 4.306 -3.176) 5.409 5.405 ( -2.936 8.164 1.253) 8.766 5.678 ( 4.917 -1.348 2.218) 5.560 5.827 ( -0.480 4.937 2.298) 5.467 5.892 ( 1.445 6.736 -1.699) 7.096 6.204 ( 0.392 -10.379 1.614) 10.511 6.668 ( 1.034 5.739 0.132) 5.833 6.958 ( 0.178 -0.782 -1.126) 1.383 7.053 ( -0.677 -3.977 -7.126) 8.189 7.163 ( -2.679 -0.671 -2.712) 3.870 7.231 ( -0.832 -2.207 -2.539) 3.465 7.287 ( 3.727 -3.249 -3.097) 5.834 7.665 ( 1.229 1.977 1.602) 2.826 8.653 ( -2.290 1.659 2.320) 3.658 8.703 ( 0.818 1.915 -1.606) 2.629 8.987 ( -4.062 -9.733 -2.638) 10.872 9.136 ( -1.008 2.492 -1.590) 3.123 9.467 ( -1.820 0.454 -0.546) 1.954 9.588 ( 1.940 3.715 -1.188) 4.356 10.666 ( -1.736 -4.842 1.844) 5.464 10.700 ( 0.732 -4.946 5.123) 7.159 10.894 ( 0.705 -3.257 1.591) 3.692 11.148 ( 5.057 2.424 -1.094) 5.714 11.389 ( -1.215 1.354 -0.632) 1.925 11.498 ( -0.320 0.750 2.101) 2.253 11.626 ( -0.948 -2.460 -0.289) 2.652 11.901 ( 0.016 -2.890 -1.324) 3.179 12.264 ( 0.085 4.086 2.400) 4.740 12.606 ( 0.239 -3.310 -5.412) 6.348 ======================= Grid point 41 (16/89) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 16.348 -16.537 2.396) 23.377 1.422 ( 13.922 -15.693 6.239) 21.886 1.853 ( -0.179 -2.305 4.102) 4.709 1.920 ( -4.276 11.865 1.013) 12.653 2.252 ( -0.265 -1.233 -0.186) 1.274 2.282 ( -1.533 -8.025 0.199) 8.173 2.440 ( 7.681 -12.877 7.988) 16.989 2.586 ( 3.845 -3.807 1.635) 5.653 2.816 ( -2.536 -2.369 -1.450) 3.761 3.051 ( -1.626 -2.538 3.001) 4.254 3.121 ( 5.766 -5.330 0.399) 7.862 3.154 ( -5.847 -7.969 0.862) 9.922 3.392 ( -1.519 3.256 -0.540) 3.633 3.495 ( -1.219 3.589 -2.017) 4.293 3.534 ( -4.549 -3.544 1.636) 5.994 3.624 ( 2.228 4.519 -1.097) 5.156 3.746 ( -1.970 0.348 0.911) 2.198 3.837 ( -3.704 -0.652 -2.192) 4.353 4.074 ( 1.590 1.305 0.386) 2.093 4.156 ( 0.188 -0.985 -2.254) 2.467 4.511 ( 2.139 0.451 4.466) 4.972 4.616 ( 1.943 -0.053 2.990) 3.566 4.997 ( -1.089 -4.051 6.050) 7.362 5.061 ( -5.090 2.418 -1.612) 5.862 5.064 ( 1.067 10.515 6.049) 12.177 5.251 ( 0.543 3.417 -6.025) 6.948 5.373 ( 0.039 -4.077 -0.270) 4.086 5.633 ( -0.612 11.575 3.132) 12.007 5.760 ( 1.653 0.509 -0.541) 1.812 5.870 ( 2.339 0.329 -1.188) 2.645 6.369 ( -1.251 -9.325 1.280) 9.496 6.569 ( 0.736 7.009 0.268) 7.053 6.966 ( 0.671 0.327 0.129) 0.757 7.115 ( 1.028 -2.267 -2.187) 3.313 7.131 ( -2.352 -0.605 -4.901) 5.470 7.266 ( -0.764 -2.955 -3.083) 4.339 7.379 ( 3.928 -1.366 -5.218) 6.673 7.644 ( -0.053 1.418 0.361) 1.464 8.614 ( -2.321 -0.399 0.158) 2.360 8.686 ( 1.255 1.909 -1.121) 2.545 9.027 ( -3.211 -0.378 -0.939) 3.367 9.104 ( 0.108 -1.043 -2.549) 2.756 9.426 ( -1.863 0.769 -0.175) 2.023 9.578 ( 2.499 1.387 -0.780) 2.963 10.697 ( -1.889 -2.390 2.960) 4.248 10.787 ( 2.377 -1.502 6.848) 7.403 10.993 ( 0.403 -7.610 -1.061) 7.694 11.142 ( 1.711 2.936 -0.378) 3.419 11.363 ( 2.119 2.294 -0.462) 3.157 11.483 ( -0.632 -0.030 2.706) 2.779 11.664 ( -1.537 -3.187 0.705) 3.608 11.899 ( -1.056 1.978 -0.963) 2.441 12.189 ( -0.726 3.731 2.396) 4.493 12.638 ( -2.279 -2.777 -3.913) 5.312 ======================= Grid point 42 (17/89) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -4.104 8.421 -5.541) 10.884 1.709 ( 5.689 -4.953 5.678) 9.441 1.875 ( 7.431 -3.531 3.724) 9.031 1.910 ( 4.990 -9.807 2.122) 11.206 2.015 ( -14.513 10.504 5.057) 18.615 2.260 ( 0.806 2.139 -0.417) 2.324 2.561 ( 1.799 -1.059 -2.466) 3.231 2.748 ( 0.807 0.395 -3.960) 4.061 2.958 ( -3.749 3.987 1.069) 5.576 3.026 ( -0.817 -2.576 1.679) 3.182 3.172 ( -0.761 6.372 1.257) 6.539 3.285 ( -0.867 0.250 3.948) 4.050 3.315 ( -1.474 -1.405 2.522) 3.242 3.398 ( -1.774 -0.114 0.484) 1.843 3.543 ( 5.174 -3.237 1.845) 6.376 3.650 ( 5.052 -2.106 -1.410) 5.652 3.741 ( -1.943 -2.784 0.035) 3.396 3.830 ( -2.036 -1.722 -1.868) 3.256 4.010 ( -0.670 4.515 1.292) 4.744 4.219 ( -0.129 -6.996 -1.026) 7.072 4.534 ( 2.181 -2.043 4.746) 5.609 4.615 ( -0.619 1.361 6.517) 6.686 4.930 ( 2.172 5.015 5.465) 7.729 4.951 ( -5.694 2.268 -2.350) 6.564 5.057 ( 1.772 -2.402 1.995) 3.590 5.282 ( -0.192 -1.341 -5.162) 5.337 5.381 ( -0.182 3.874 1.187) 4.056 5.549 ( 0.756 -5.803 4.958) 7.670 5.760 ( 3.149 3.030 -1.825) 4.735 5.894 ( -1.605 -1.747 -0.250) 2.385 6.427 ( -0.723 3.259 -1.493) 3.657 6.508 ( -0.557 -2.221 1.903) 2.977 6.963 ( 0.947 1.275 0.282) 1.613 7.108 ( -1.769 -0.976 1.925) 2.790 7.162 ( 1.373 -0.445 -6.962) 7.110 7.288 ( -1.983 -1.259 -5.250) 5.752 7.439 ( 3.165 -1.011 -3.283) 4.671 7.623 ( -0.783 0.473 -0.963) 1.328 8.612 ( -1.300 -2.166 -1.486) 2.931 8.670 ( 1.358 1.900 0.736) 2.448 8.987 ( 1.035 2.264 -1.855) 3.104 9.133 ( -1.060 -2.399 -1.052) 2.826 9.411 ( -0.503 -0.907 0.231) 1.062 9.585 ( 0.690 0.531 -0.840) 1.210 10.704 ( -1.802 -1.252 3.396) 4.043 10.815 ( 1.934 1.460 6.271) 6.723 11.080 ( 0.235 2.570 0.893) 2.731 11.135 ( 0.065 -4.624 -1.383) 4.827 11.372 ( 3.749 1.088 -0.242) 3.911 11.485 ( -1.318 -1.883 3.755) 4.403 11.670 ( -4.032 -1.498 0.362) 4.317 11.840 ( -0.683 2.826 -1.964) 3.509 12.151 ( 2.425 1.678 2.144) 3.646 12.626 ( -1.172 1.885 -4.538) 5.052 ======================= Grid point 43 (18/89) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -6.795 18.331 6.178) 20.503 1.534 ( -18.378 17.159 9.160) 26.760 1.841 ( 0.510 -0.740 4.323) 4.416 2.020 ( 1.962 -9.882 4.512) 11.039 2.150 ( 2.092 2.889 -5.875) 6.873 2.282 ( 6.953 -4.803 0.247) 8.454 2.376 ( -18.485 31.300 8.635) 37.362 2.565 ( 0.306 3.254 -2.582) 4.165 2.809 ( 4.835 0.163 -2.476) 5.434 2.939 ( -2.094 4.341 -0.489) 4.845 3.091 ( -4.570 5.145 -1.146) 6.977 3.220 ( 6.402 4.589 3.650) 8.681 3.399 ( -0.137 0.179 -0.796) 0.828 3.411 ( 4.695 -0.962 1.088) 4.914 3.616 ( 0.090 -0.049 0.106) 0.147 3.692 ( -0.816 -1.667 0.955) 2.087 3.801 ( 1.363 -1.417 0.853) 2.143 3.896 ( 2.738 -4.903 -0.649) 5.653 3.951 ( -2.922 -1.638 -2.881) 4.418 4.334 ( -1.679 -3.644 -0.473) 4.040 4.538 ( -2.457 1.425 6.520) 7.112 4.655 ( -1.753 -2.905 4.297) 5.475 4.912 ( 6.356 4.385 4.953) 9.174 4.961 ( 0.709 -10.937 1.206) 11.026 5.040 ( -0.023 5.987 -0.400) 6.000 5.262 ( -1.393 -5.192 1.705) 5.639 5.447 ( 0.407 -5.562 -2.430) 6.083 5.669 ( 2.080 -2.053 3.387) 4.473 5.746 ( -0.833 -1.613 -0.132) 1.820 5.890 ( -3.883 -2.671 -0.758) 4.773 6.318 ( 0.315 8.572 -0.952) 8.631 6.566 ( -1.174 -5.477 0.599) 5.633 6.951 ( 1.183 1.684 -0.306) 2.080 7.111 ( -1.936 -1.742 2.384) 3.531 7.170 ( 1.622 1.431 -5.283) 5.708 7.253 ( -1.586 2.000 -7.819) 8.225 7.498 ( 0.946 -2.944 -0.196) 3.098 7.606 ( -1.621 -0.147 -3.015) 3.427 8.644 ( -0.350 -2.599 -1.406) 2.976 8.665 ( 1.354 0.679 1.156) 1.905 8.979 ( 4.534 3.382 -2.576) 6.215 9.154 ( -1.576 -2.397 -0.167) 2.874 9.443 ( 1.210 -2.261 0.348) 2.588 9.575 ( -1.565 -0.217 -0.926) 1.831 10.698 ( -1.187 -0.388 2.795) 3.061 10.786 ( 0.958 4.611 5.615) 7.329 10.986 ( 0.287 7.694 0.710) 7.732 11.213 ( -1.866 -5.351 2.418) 6.161 11.413 ( 1.896 -1.160 -0.856) 2.382 11.523 ( -0.363 -3.873 2.720) 4.747 11.617 ( -4.947 0.268 -0.062) 4.954 11.802 ( 0.687 1.642 -3.533) 3.956 12.194 ( 6.044 0.316 2.251) 6.458 12.536 ( 0.251 8.224 -5.772) 10.051 ======================= Grid point 44 (19/89) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -2.583 16.067 21.852) 27.246 0.969 ( -18.593 20.411 17.730) 32.812 1.411 ( -24.389 36.859 21.818) 49.289 1.848 ( 0.052 0.563 2.873) 2.929 2.162 ( 2.410 3.988 -3.694) 5.946 2.224 ( 1.333 -11.482 2.156) 11.758 2.481 ( 0.872 -3.231 -4.100) 5.292 2.518 ( 6.914 1.509 2.543) 7.520 2.843 ( -0.188 3.832 -1.998) 4.325 2.868 ( 4.099 2.026 -4.140) 6.168 2.930 ( -0.096 6.363 -1.521) 6.543 3.284 ( 9.278 1.660 4.188) 10.314 3.412 ( 2.087 -0.680 -0.202) 2.204 3.445 ( 1.842 0.848 1.096) 2.305 3.596 ( -5.908 -1.857 1.770) 6.441 3.744 ( -0.511 -4.471 1.723) 4.819 3.789 ( -0.201 2.483 -0.394) 2.522 3.892 ( -1.792 1.207 -4.370) 4.875 4.082 ( 1.205 -8.890 0.942) 9.020 4.304 ( -7.488 -1.250 -2.920) 8.133 4.475 ( 0.072 1.399 9.042) 9.150 4.625 ( -3.739 -0.289 1.340) 3.982 4.883 ( 6.633 6.988 6.562) 11.657 4.989 ( 1.747 -0.717 -1.383) 2.340 5.221 ( 2.454 -6.396 0.498) 6.869 5.381 ( -2.182 -10.902 2.328) 11.359 5.486 ( -4.129 -1.510 -2.596) 5.106 5.624 ( -1.099 3.610 -0.944) 3.890 5.831 ( -0.641 -6.223 4.073) 7.464 5.891 ( -2.088 -2.089 -1.392) 3.266 6.166 ( 0.482 9.665 0.461) 9.688 6.655 ( -0.314 -5.883 0.139) 5.893 6.938 ( 1.498 2.097 -1.065) 2.789 7.093 ( -2.997 0.587 -0.554) 3.104 7.158 ( 1.593 2.246 -6.792) 7.329 7.214 ( 0.894 1.127 -3.745) 4.012 7.524 ( -11.840 -5.398 -4.168) 13.664 7.606 ( 3.020 -1.040 -1.273) 3.438 8.673 ( 0.688 -0.927 3.992) 4.155 8.688 ( 0.384 -2.148 -2.149) 3.062 8.965 ( 6.161 7.919 -3.623) 10.667 9.173 ( -1.460 -2.036 0.020) 2.506 9.490 ( 1.148 -0.057 0.333) 1.197 9.579 ( -1.501 -3.740 -1.642) 4.352 10.683 ( 1.363 4.236 0.566) 4.486 10.694 ( -1.425 3.805 6.634) 7.779 10.875 ( 2.484 7.019 0.127) 7.447 11.248 ( -10.491 -6.791 1.237) 12.558 11.436 ( -1.724 -1.290 -2.066) 2.984 11.536 ( -4.372 0.621 -3.084) 5.386 11.598 ( 2.846 -0.294 1.833) 3.398 11.815 ( 3.976 -0.125 -0.883) 4.075 12.273 ( 7.525 1.169 2.894) 8.146 12.373 ( 4.611 13.270 -3.717) 14.532 ======================= Grid point 46 (20/89) ======================= q-point: ( 0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 29.851 -0.000 1.648) 29.896 1.059 ( 25.656 -0.000 17.345) 30.969 1.532 ( 26.141 -0.000 24.177) 35.608 1.872 ( 7.326 -0.000 1.911) 7.571 2.192 ( -0.313 0.000 -5.082) 5.092 2.254 ( -0.797 0.000 -3.187) 3.285 2.349 ( -6.985 0.000 5.169) 8.689 2.743 ( 1.716 -0.000 5.692) 5.945 2.770 ( -6.309 0.000 -1.944) 6.602 2.880 ( -3.579 0.000 -1.200) 3.774 2.918 ( 6.107 -0.000 0.269) 6.112 3.034 ( -10.161 0.000 3.373) 10.706 3.481 ( -4.242 0.000 2.282) 4.817 3.494 ( -0.389 0.000 0.327) 0.508 3.610 ( -4.694 0.000 -9.012) 10.161 3.654 ( 2.579 -0.000 0.129) 2.582 3.702 ( -4.408 0.000 -2.067) 4.868 3.957 ( -10.399 0.000 3.645) 11.020 3.959 ( 6.613 -0.000 -3.845) 7.649 4.244 ( 1.551 -0.000 2.584) 3.013 4.503 ( 0.966 -0.000 9.032) 9.084 4.622 ( 4.407 -0.000 2.145) 4.901 4.881 ( 4.398 -0.000 0.807) 4.472 5.157 ( 3.400 -0.000 3.878) 5.157 5.239 ( -4.850 0.000 -13.460) 14.307 5.269 ( -3.700 0.000 0.074) 3.700 5.498 ( 0.350 -0.000 1.337) 1.382 5.749 ( 2.992 -0.000 1.708) 3.445 5.842 ( 0.388 -0.000 0.675) 0.778 6.002 ( -5.601 0.000 3.415) 6.560 6.032 ( 0.679 -0.000 -3.431) 3.497 6.738 ( 0.995 -0.000 0.958) 1.381 6.945 ( -1.767 0.000 -0.402) 1.812 6.992 ( 1.419 -0.000 -11.255) 11.345 7.132 ( -1.800 0.000 -0.725) 1.940 7.281 ( 5.925 -0.000 -8.544) 10.397 7.297 ( 3.404 -0.000 0.932) 3.529 7.695 ( -0.320 0.000 3.405) 3.420 8.636 ( -4.117 0.000 0.644) 4.167 8.746 ( -0.176 0.000 1.834) 1.843 8.809 ( -0.386 0.000 0.993) 1.065 9.143 ( -0.711 0.000 -1.789) 1.925 9.471 ( -0.010 0.000 -1.236) 1.236 9.639 ( 1.151 -0.000 -2.290) 2.563 10.636 ( 3.187 -0.000 0.800) 3.286 10.657 ( 1.730 -0.000 4.613) 4.926 10.894 ( 1.363 -0.000 5.001) 5.184 11.295 ( 8.659 -0.000 -3.796) 9.454 11.352 ( -4.338 0.000 0.510) 4.368 11.514 ( 0.837 -0.000 3.453) 3.553 11.564 ( -3.453 0.000 -0.741) 3.532 11.813 ( -3.486 0.000 0.635) 3.543 12.363 ( 4.567 -0.000 0.312) 4.578 12.510 ( -7.370 0.000 0.230) 7.374 ======================= Grid point 47 (21/89) ======================= q-point: ( 0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 16.947 -6.597 5.452) 18.986 1.484 ( 24.882 -8.850 5.920) 27.064 1.797 ( 1.256 -5.660 4.036) 7.064 2.053 ( -3.505 9.495 -2.305) 10.380 2.185 ( 10.601 -4.450 0.038) 11.497 2.265 ( 4.778 -1.486 1.318) 5.174 2.384 ( 10.797 -9.382 7.299) 16.059 2.619 ( -0.876 4.892 3.782) 6.246 2.741 ( -4.720 -2.232 -1.268) 5.373 2.935 ( -3.023 -7.452 2.850) 8.531 2.964 ( -5.538 -3.074 1.079) 6.425 3.091 ( 7.801 -8.293 2.161) 11.589 3.408 ( -5.631 0.280 5.615) 7.957 3.446 ( -2.918 3.180 -1.538) 4.582 3.550 ( 0.654 1.453 -10.011) 10.137 3.673 ( -1.285 -2.195 0.319) 2.563 3.700 ( 0.374 -2.196 -3.744) 4.356 3.809 ( -4.254 5.230 4.565) 8.141 4.039 ( 0.321 -1.779 -0.585) 1.900 4.237 ( 1.342 2.523 1.188) 3.094 4.550 ( 3.241 -1.180 6.381) 7.253 4.665 ( 4.435 2.783 2.571) 5.833 4.953 ( 3.138 -2.670 2.316) 4.727 5.041 ( -6.430 5.632 -4.154) 9.504 5.193 ( 0.221 2.300 2.076) 3.106 5.281 ( -4.370 -2.907 -5.332) 7.482 5.383 ( -1.036 10.014 1.891) 10.243 5.730 ( -1.676 2.355 3.359) 4.432 5.810 ( -0.325 4.889 1.132) 5.029 5.935 ( 1.992 1.365 -1.537) 2.863 6.163 ( -1.362 -11.287 0.064) 11.369 6.685 ( 0.450 6.112 -0.507) 6.149 6.957 ( -1.586 -2.864 0.888) 3.392 7.048 ( 2.277 -3.711 -12.269) 13.018 7.100 ( -2.652 0.262 1.219) 2.931 7.292 ( 3.078 2.363 -2.462) 4.595 7.389 ( 2.968 -2.683 -4.416) 5.959 7.665 ( -1.176 1.804 2.743) 3.487 8.582 ( -2.742 0.236 0.752) 2.853 8.725 ( 0.747 1.562 -1.166) 2.088 8.887 ( -3.020 -7.325 1.152) 8.006 9.127 ( 0.420 1.329 -2.338) 2.721 9.445 ( -0.083 2.513 -0.806) 2.640 9.636 ( 1.534 1.808 -2.155) 3.204 10.670 ( 1.693 -0.400 1.220) 2.124 10.758 ( 3.183 -5.262 4.840) 7.826 10.929 ( 1.648 -2.474 3.433) 4.541 11.225 ( -1.732 4.819 -0.258) 5.127 11.410 ( 3.592 -0.525 0.496) 3.664 11.486 ( -0.875 1.997 1.923) 2.907 11.575 ( -2.104 -3.260 1.305) 4.093 11.822 ( -4.391 -5.424 -0.582) 7.003 12.274 ( -1.617 8.076 2.227) 8.532 12.547 ( -0.147 -6.325 -2.337) 6.744 ======================= Grid point 48 (22/89) ======================= q-point: ( 0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 4.991 -3.249 -1.155) 6.067 1.772 ( 3.178 3.300 0.843) 4.659 1.842 ( -1.386 0.122 2.580) 2.931 2.004 ( 15.269 -3.769 5.223) 16.572 2.040 ( -6.596 12.078 2.926) 14.069 2.324 ( 4.300 0.875 0.181) 4.392 2.571 ( 1.303 0.471 -0.903) 1.653 2.731 ( -0.786 -6.756 -1.570) 6.981 2.912 ( -6.826 -3.831 2.083) 8.100 2.965 ( 10.969 -9.293 -0.476) 14.384 3.052 ( 1.704 -10.091 1.387) 10.328 3.261 ( -3.066 -0.494 0.257) 3.117 3.356 ( -0.682 -0.733 2.594) 2.780 3.371 ( 0.932 2.627 1.180) 3.027 3.586 ( 5.015 -2.595 2.087) 6.020 3.684 ( -0.805 0.110 0.476) 0.941 3.739 ( 5.306 1.764 1.166) 5.712 3.753 ( -0.851 -3.575 -3.503) 5.078 4.008 ( -5.123 0.781 1.427) 5.375 4.215 ( 2.992 1.986 0.456) 3.620 4.561 ( 1.228 3.719 4.398) 5.889 4.645 ( -0.221 2.611 5.197) 5.820 4.906 ( -6.305 2.210 -5.538) 8.678 4.991 ( -0.450 0.355 2.679) 2.740 5.131 ( 2.504 6.594 4.407) 8.317 5.220 ( -2.852 -2.791 -4.293) 5.862 5.354 ( -0.871 -4.984 1.376) 5.243 5.596 ( -1.260 9.359 3.450) 10.054 5.777 ( -1.348 -0.937 1.367) 2.136 5.931 ( 2.333 3.591 -1.888) 4.680 6.319 ( -1.627 -9.138 0.595) 9.301 6.584 ( 0.556 6.544 -0.788) 6.615 6.979 ( 0.063 -0.954 2.314) 2.504 7.063 ( -3.022 -0.538 2.871) 4.203 7.141 ( 1.973 -3.645 -13.716) 14.329 7.288 ( 1.464 1.750 -1.754) 2.878 7.449 ( 1.386 -1.443 -3.252) 3.818 7.622 ( -1.317 1.227 0.252) 1.817 8.566 ( -1.071 -1.406 -0.299) 1.792 8.706 ( 0.106 1.437 -0.484) 1.520 8.949 ( -2.499 -4.928 0.414) 5.541 9.120 ( 1.304 0.808 -2.518) 2.948 9.413 ( 0.584 1.197 -0.046) 1.333 9.619 ( 0.558 2.091 -1.773) 2.798 10.689 ( 0.858 0.042 1.595) 1.812 10.843 ( 1.507 -0.925 8.869) 9.044 11.035 ( 3.106 -5.731 -1.151) 6.619 11.149 ( -1.616 1.712 -0.053) 2.355 11.425 ( -4.490 1.478 0.119) 4.729 11.449 ( 3.875 1.316 1.764) 4.457 11.588 ( -2.580 -1.899 2.178) 3.874 11.855 ( -1.046 -2.527 -1.712) 3.227 12.155 ( -2.705 1.885 3.619) 4.896 12.637 ( 2.317 -2.355 -4.574) 5.643 ======================= Grid point 49 (23/89) ======================= q-point: (-0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -2.045 15.961 2.517) 16.287 1.656 ( -9.139 19.853 8.025) 23.282 1.821 ( 2.779 -3.495 5.730) 7.264 1.894 ( -1.295 -5.622 2.725) 6.380 2.239 ( 8.602 -1.585 -4.406) 9.794 2.344 ( 4.451 2.817 0.953) 5.353 2.565 ( -0.892 0.074 -0.641) 1.101 2.750 ( -5.435 20.283 0.327) 21.001 2.861 ( 4.058 -2.168 0.211) 4.606 2.982 ( -1.657 5.110 0.999) 5.465 3.067 ( -2.133 -0.955 0.458) 2.381 3.334 ( -1.316 0.828 -0.066) 1.556 3.361 ( 2.513 -4.944 0.383) 5.559 3.402 ( 4.217 -4.620 0.055) 6.255 3.618 ( -1.540 4.109 1.888) 4.777 3.729 ( -0.675 3.685 -1.663) 4.099 3.760 ( 1.683 -5.360 2.022) 5.971 3.825 ( 0.688 -4.242 -1.048) 4.424 3.945 ( 0.322 2.179 1.127) 2.474 4.298 ( 4.068 -2.614 -2.260) 5.338 4.528 ( -3.319 1.357 3.664) 5.127 4.582 ( -2.209 -0.621 5.061) 5.557 4.826 ( -1.101 -3.832 -1.439) 4.239 5.010 ( 4.387 -0.893 1.536) 4.733 5.115 ( 0.857 -0.544 3.599) 3.739 5.255 ( -2.645 -1.457 -1.696) 3.464 5.375 ( 0.839 4.518 2.499) 5.230 5.524 ( -2.387 -7.265 3.807) 8.542 5.783 ( -2.660 -2.896 0.884) 4.030 5.861 ( 0.768 7.023 -1.690) 7.264 6.416 ( 0.519 -2.546 -0.528) 2.651 6.494 ( -0.509 3.017 0.726) 3.144 6.984 ( 0.238 0.737 0.849) 1.149 7.056 ( -1.389 -2.079 3.834) 4.577 7.200 ( 1.678 -0.888 -12.625) 12.767 7.267 ( 0.402 1.949 -1.911) 2.759 7.462 ( -2.121 -0.107 -1.703) 2.722 7.600 ( 0.153 0.158 -2.378) 2.389 8.599 ( 0.406 -2.743 -1.056) 2.967 8.684 ( -0.394 0.902 0.567) 1.136 9.006 ( -0.266 -4.314 -0.733) 4.384 9.120 ( 0.662 0.886 -2.212) 2.473 9.427 ( 1.444 -1.348 0.389) 2.013 9.578 ( -1.137 2.322 -1.536) 3.007 10.698 ( 1.088 0.234 2.113) 2.389 10.846 ( -0.163 1.639 9.039) 9.188 11.076 ( -0.551 2.666 2.393) 3.624 11.173 ( 2.739 -0.477 -1.987) 3.417 11.338 ( -7.615 -2.808 -4.857) 9.458 11.477 ( 2.175 0.184 0.994) 2.399 11.589 ( 0.184 -0.917 5.345) 5.427 11.862 ( 1.500 1.804 -2.968) 3.784 12.161 ( -1.732 -5.107 4.465) 7.001 12.671 ( 3.356 2.618 -6.488) 7.760 ======================= Grid point 50 (24/89) ======================= q-point: (-0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -4.169 20.882 12.148) 24.515 1.198 ( 0.861 24.283 13.263) 27.683 1.850 ( 0.169 2.429 5.485) 6.001 2.019 ( -2.457 -4.108 2.645) 5.469 2.057 ( 2.711 29.781 6.240) 30.548 2.292 ( 1.194 11.044 0.689) 11.129 2.434 ( 1.512 -4.339 -2.460) 5.212 2.578 ( 0.476 -0.842 0.998) 1.390 2.868 ( -1.008 1.813 -0.661) 2.177 2.973 ( 4.104 3.535 -3.420) 6.406 3.035 ( 1.167 4.159 0.357) 4.334 3.321 ( -2.170 -1.323 0.250) 2.554 3.433 ( 4.659 -1.115 -0.652) 4.835 3.476 ( -6.054 -1.095 0.849) 6.210 3.566 ( 3.151 3.162 1.386) 4.674 3.670 ( -1.983 -0.833 3.188) 3.845 3.777 ( -3.267 -1.511 -2.840) 4.585 3.866 ( 0.152 -1.015 -1.193) 1.574 4.002 ( 3.010 -4.688 2.235) 6.003 4.241 ( -5.144 4.783 -7.141) 10.017 4.482 ( -0.796 1.048 4.797) 4.974 4.586 ( -0.797 -1.173 1.915) 2.383 4.997 ( 2.363 -9.362 2.934) 10.091 5.037 ( 0.416 7.759 0.038) 7.770 5.182 ( 0.078 -7.531 1.180) 7.623 5.249 ( 7.259 -0.848 2.660) 7.777 5.325 ( -7.198 -2.955 3.069) 8.365 5.660 ( -2.609 -9.919 2.250) 10.500 5.744 ( 0.632 4.947 0.006) 4.987 5.819 ( 0.185 -2.765 -1.029) 2.956 6.347 ( 2.066 9.317 0.945) 9.590 6.551 ( 0.159 -6.740 0.289) 6.748 6.971 ( -0.270 0.557 -0.672) 0.913 7.078 ( 0.464 -0.350 2.650) 2.713 7.196 ( -1.481 0.821 -10.327) 10.465 7.257 ( 3.340 2.055 -2.085) 4.441 7.384 ( -6.701 2.487 -3.002) 7.753 7.621 ( 1.711 -0.916 -1.534) 2.474 8.649 ( 0.388 -1.805 -0.031) 1.847 8.671 ( -0.644 -0.672 -0.241) 0.962 9.078 ( 1.793 -2.197 -2.479) 3.767 9.104 ( -1.726 0.080 -2.013) 2.653 9.490 ( 0.111 -3.994 0.228) 4.003 9.520 ( -0.666 2.215 -1.383) 2.695 10.714 ( 1.803 0.298 2.562) 3.147 10.783 ( -2.236 4.479 6.899) 8.524 10.999 ( 0.097 6.856 1.799) 7.089 11.130 ( -2.869 1.286 -0.636) 3.207 11.359 ( -2.261 -4.593 -5.281) 7.355 11.491 ( -0.341 -0.657 0.678) 1.003 11.635 ( 3.094 -0.333 4.178) 5.209 11.865 ( 2.959 -0.137 -0.566) 3.015 12.229 ( -1.890 -4.416 3.001) 5.664 12.644 ( 4.197 5.590 -7.958) 10.592 ======================= Grid point 53 (25/89) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 12.130 -0.000 5.294) 13.235 1.701 ( 22.600 -0.000 10.343) 24.854 1.746 ( -0.697 0.000 -0.380) 0.794 2.157 ( -0.985 0.000 -8.907) 8.962 2.170 ( -3.205 0.000 4.038) 5.155 2.302 ( 3.431 -0.000 2.853) 4.462 2.564 ( -8.768 0.000 1.677) 8.927 2.592 ( 27.710 -0.000 -0.308) 27.711 2.738 ( -7.525 0.000 1.653) 7.705 2.777 ( 1.118 -0.000 5.474) 5.587 2.941 ( 3.966 -0.000 -1.566) 4.264 3.101 ( 6.364 -0.000 5.551) 8.445 3.334 ( -4.119 0.000 6.234) 7.472 3.460 ( -2.578 0.000 -2.117) 3.336 3.516 ( -5.097 0.000 -7.299) 8.902 3.642 ( 3.893 -0.000 -0.974) 4.013 3.722 ( 3.315 -0.000 -0.561) 3.362 3.849 ( 3.222 -0.000 3.671) 4.884 4.008 ( -4.768 0.000 1.805) 5.098 4.260 ( 0.513 -0.000 -1.947) 2.014 4.577 ( 3.351 -0.000 6.366) 7.195 4.766 ( 4.821 -0.000 3.908) 6.206 4.937 ( -2.555 0.000 -2.045) 3.273 5.028 ( -10.335 0.000 -8.689) 13.503 5.150 ( -2.541 0.000 -0.445) 2.580 5.231 ( 0.372 -0.000 2.398) 2.427 5.464 ( -1.788 0.000 4.544) 4.883 5.741 ( -3.186 0.000 2.304) 3.932 5.844 ( -0.247 0.000 2.490) 2.502 5.905 ( -1.053 0.000 1.698) 1.998 6.097 ( 3.933 -0.000 -4.099) 5.680 6.762 ( 0.951 -0.000 0.345) 1.012 6.879 ( -1.673 0.000 -6.335) 6.552 7.061 ( 1.125 -0.000 -0.905) 1.444 7.066 ( -1.234 0.000 -3.695) 3.896 7.371 ( 1.920 -0.000 -0.958) 2.146 7.373 ( 2.137 -0.000 -6.072) 6.437 7.662 ( -1.870 0.000 3.364) 3.849 8.550 ( -2.195 0.000 0.902) 2.373 8.762 ( 0.675 -0.000 0.310) 0.743 8.783 ( -1.577 0.000 0.806) 1.771 9.143 ( 0.759 -0.000 -1.777) 1.932 9.471 ( -0.009 0.000 -1.279) 1.279 9.664 ( 0.651 -0.000 -3.423) 3.485 10.710 ( 1.684 -0.000 4.137) 4.467 10.749 ( 4.763 -0.000 -2.023) 5.175 10.930 ( 1.690 -0.000 7.500) 7.688 11.191 ( -7.170 0.000 0.971) 7.235 11.468 ( 4.408 -0.000 0.603) 4.449 11.514 ( -0.353 0.000 0.735) 0.815 11.532 ( 0.585 -0.000 2.978) 3.035 11.710 ( -3.611 0.000 2.461) 4.370 12.324 ( -6.418 0.000 -1.027) 6.500 12.486 ( 4.182 -0.000 -2.370) 4.807 ======================= Grid point 54 (26/89) ======================= q-point: ( 0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 2.882 -1.525 2.115) 3.887 1.761 ( -0.010 -2.915 -1.359) 3.216 1.950 ( -0.280 10.245 -1.604) 10.373 2.066 ( 8.498 -4.333 6.037) 11.289 2.231 ( 8.480 2.209 5.606) 10.403 2.344 ( -0.030 -6.480 -0.274) 6.486 2.487 ( -7.317 -3.466 2.373) 8.437 2.586 ( -5.377 2.717 0.926) 6.095 2.783 ( -4.259 -4.815 -0.030) 6.428 2.985 ( 11.908 -8.064 -1.841) 14.499 3.031 ( 9.134 -0.073 -3.212) 9.683 3.223 ( 0.890 -1.207 5.577) 5.775 3.296 ( -3.007 -1.974 -1.192) 3.789 3.428 ( 2.265 -1.288 2.164) 3.387 3.504 ( -4.342 -5.003 -1.556) 6.805 3.707 ( 5.435 0.406 8.495) 10.093 3.753 ( 3.542 1.771 -1.038) 4.094 3.865 ( -2.501 4.087 -0.610) 4.830 3.979 ( 6.683 -1.008 0.547) 6.780 4.260 ( 0.744 0.675 -1.481) 1.789 4.629 ( 2.821 0.236 6.169) 6.787 4.720 ( -5.172 6.977 1.361) 8.791 4.828 ( -6.266 -0.621 -5.838) 8.587 4.972 ( -2.198 -1.918 2.879) 4.098 5.128 ( -2.660 -0.618 -2.484) 3.691 5.256 ( 1.038 -2.171 1.696) 2.945 5.332 ( -1.226 11.233 2.929) 11.673 5.680 ( -1.612 1.047 2.702) 3.316 5.799 ( -0.355 5.568 1.942) 5.908 5.964 ( 0.260 -3.497 0.962) 3.637 6.180 ( 1.903 -5.286 -2.126) 6.007 6.699 ( 0.591 6.369 -1.819) 6.650 6.932 ( 0.706 -4.500 -0.699) 4.609 7.017 ( -3.677 -0.007 3.579) 5.131 7.121 ( 2.827 -2.205 -10.151) 10.766 7.348 ( 1.370 2.607 -2.820) 4.078 7.428 ( 0.291 -2.052 -3.026) 3.668 7.629 ( -1.149 1.272 1.569) 2.324 8.538 ( -0.428 -0.785 0.929) 1.289 8.727 ( -0.624 1.690 -0.674) 1.923 8.833 ( -1.424 -5.047 0.929) 5.325 9.152 ( 1.401 0.539 -1.471) 2.101 9.451 ( 0.408 1.957 -0.607) 2.089 9.654 ( -0.014 1.622 -3.534) 3.889 10.714 ( 1.121 0.739 0.996) 1.672 10.836 ( 2.151 -2.614 5.074) 6.100 10.987 ( 1.571 -4.480 1.144) 4.883 11.113 ( -3.678 0.404 3.077) 4.812 11.448 ( -0.928 4.800 -0.011) 4.889 11.516 ( 2.177 0.424 2.689) 3.486 11.542 ( -0.693 -0.698 2.149) 2.363 11.751 ( -0.139 -6.632 2.978) 7.272 12.182 ( -4.380 5.989 -1.230) 7.521 12.591 ( 1.670 -5.710 -4.322) 7.353 ======================= Grid point 55 (27/89) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -1.296 2.127 -3.247) 4.092 1.766 ( -2.879 5.463 6.139) 8.708 1.812 ( -0.026 -0.529 0.795) 0.955 1.972 ( 2.590 13.995 5.400) 15.223 2.297 ( 0.572 -0.399 0.187) 0.722 2.428 ( -2.762 3.542 0.387) 4.508 2.501 ( -3.514 -3.019 -0.763) 4.695 2.699 ( 4.892 -20.823 2.775) 21.569 2.804 ( -2.327 -2.442 -2.301) 4.083 3.087 ( -3.597 7.325 2.742) 8.609 3.127 ( 6.212 3.593 -3.099) 7.817 3.237 ( 3.551 -9.167 0.187) 9.832 3.297 ( -1.912 -1.592 1.040) 2.696 3.462 ( -0.084 1.401 -0.183) 1.416 3.614 ( -2.767 -7.861 1.043) 8.398 3.693 ( -3.204 2.833 2.992) 5.220 3.751 ( 1.861 1.977 -2.833) 3.924 3.825 ( 4.242 -0.590 4.652) 6.323 4.031 ( 1.488 4.881 0.880) 5.178 4.296 ( 1.386 -3.179 1.715) 3.869 4.548 ( -0.621 5.647 1.809) 5.962 4.610 ( -0.897 4.569 4.183) 6.259 4.788 ( -0.956 0.119 -4.019) 4.133 5.000 ( 1.821 -3.329 4.105) 5.590 5.148 ( -0.399 3.660 1.494) 3.974 5.157 ( -0.789 -1.972 -1.341) 2.512 5.332 ( -1.298 -5.363 0.873) 5.586 5.622 ( 2.930 9.722 2.264) 10.404 5.706 ( -3.576 -0.197 1.937) 4.072 5.967 ( 0.618 3.389 -0.832) 3.544 6.306 ( 0.309 -7.762 0.437) 7.780 6.598 ( 0.537 6.419 -0.953) 6.512 6.975 ( -2.242 -0.204 1.900) 2.946 7.018 ( 2.001 -2.958 3.344) 4.892 7.183 ( 0.692 -1.964 -11.076) 11.271 7.324 ( 1.854 2.173 -3.099) 4.215 7.436 ( -2.058 0.054 -2.241) 3.043 7.608 ( 0.405 0.419 -1.188) 1.323 8.567 ( 1.078 -2.112 0.636) 2.455 8.692 ( -0.974 1.361 -0.733) 1.827 8.903 ( -1.158 -5.523 -0.132) 5.644 9.157 ( 1.339 1.122 -1.286) 2.169 9.436 ( 0.739 0.545 0.562) 1.076 9.610 ( -0.744 2.821 -3.210) 4.338 10.722 ( 1.396 0.198 1.388) 1.979 10.858 ( -1.156 0.963 9.969) 10.082 11.053 ( -4.648 -4.055 -2.452) 6.638 11.144 ( 4.760 -4.165 0.212) 6.328 11.330 ( -1.693 7.065 -1.278) 7.377 11.519 ( 0.585 1.763 1.669) 2.497 11.570 ( 1.463 -2.802 5.500) 6.344 11.874 ( 2.792 -4.111 -1.306) 5.138 12.062 ( -4.491 0.137 2.068) 4.946 12.680 ( -0.060 -3.479 -5.622) 6.612 ======================= Grid point 56 (28/89) ======================= q-point: (-0.17 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 5.202 16.596 2.703) 17.601 1.605 ( 2.904 17.416 3.261) 17.955 1.801 ( -4.234 -7.978 4.216) 9.968 1.888 ( 1.199 2.526 4.711) 5.478 2.295 ( -1.933 0.703 -3.098) 3.719 2.334 ( -7.458 -3.378 2.055) 8.441 2.531 ( -0.582 -1.753 -1.916) 2.662 2.718 ( 2.274 14.881 -0.605) 15.065 2.911 ( 0.991 7.940 3.698) 8.814 3.036 ( 6.189 -7.440 2.428) 9.977 3.092 ( 0.176 2.674 -0.916) 2.832 3.312 ( 0.588 2.861 1.056) 3.106 3.374 ( -2.402 -2.998 0.320) 3.855 3.447 ( -0.716 -2.390 1.754) 3.050 3.539 ( -2.455 -1.184 -1.712) 3.219 3.654 ( -4.010 2.129 -0.490) 4.566 3.782 ( -0.381 0.540 -1.616) 1.746 3.859 ( 0.622 0.969 1.722) 2.071 3.974 ( 0.953 -2.235 3.357) 4.144 4.286 ( -3.555 4.966 -5.546) 8.250 4.491 ( 0.336 0.703 3.896) 3.973 4.574 ( 2.790 -0.203 4.737) 5.501 4.856 ( 2.317 -7.200 3.204) 8.214 5.079 ( -3.044 -1.158 1.503) 3.587 5.094 ( -4.230 -4.452 3.075) 6.868 5.202 ( 5.433 3.481 -4.094) 7.642 5.435 ( -3.064 -11.506 0.837) 11.936 5.477 ( 3.843 10.330 4.759) 12.005 5.713 ( -0.809 -3.293 -1.474) 3.698 5.899 ( 1.200 5.222 -0.177) 5.361 6.436 ( 0.140 -7.395 0.407) 7.407 6.502 ( 1.111 6.621 0.766) 6.758 6.960 ( -1.043 -0.533 0.340) 1.220 7.086 ( 2.608 -1.395 3.984) 4.962 7.178 ( -2.072 0.757 -8.667) 8.944 7.340 ( 4.279 1.347 -4.335) 6.238 7.370 ( -3.852 2.699 -4.023) 6.189 7.621 ( 0.798 -0.764 -1.467) 1.836 8.626 ( 1.538 -2.448 -0.323) 2.910 8.655 ( -1.582 0.900 -0.168) 1.827 8.983 ( -0.743 -5.394 -1.539) 5.659 9.144 ( 0.503 2.042 -1.364) 2.507 9.442 ( -1.049 -0.731 0.879) 1.551 9.559 ( 0.602 2.133 -2.219) 3.136 10.742 ( 1.554 0.315 3.176) 3.550 10.796 ( -3.097 1.969 7.329) 8.197 11.068 ( 0.268 -0.972 1.063) 1.465 11.171 ( -2.787 6.784 -2.136) 7.639 11.279 ( 3.308 -3.703 -2.920) 5.760 11.496 ( -0.134 1.081 2.538) 2.762 11.656 ( 3.329 -2.523 5.007) 6.521 11.889 ( -0.341 1.660 -3.333) 3.740 12.111 ( -0.905 -7.220 3.423) 8.042 12.694 ( -1.955 0.099 -5.787) 6.109 ======================= Grid point 60 (29/89) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -7.918 0.000 -0.518) 7.935 1.758 ( 2.874 -0.000 -0.576) 2.931 2.030 ( -12.956 0.000 0.272) 12.959 2.108 ( -0.995 0.000 5.616) 5.703 2.127 ( 8.859 -0.000 0.026) 8.859 2.412 ( 8.053 -0.000 6.391) 10.281 2.479 ( -1.015 0.000 -0.677) 1.220 2.514 ( -4.359 0.000 2.098) 4.838 2.675 ( -3.898 0.000 -0.935) 4.009 3.018 ( 3.938 -0.000 0.570) 3.979 3.181 ( 11.186 -0.000 -3.327) 11.670 3.228 ( -0.152 0.000 4.671) 4.673 3.233 ( -5.404 0.000 -3.257) 6.309 3.331 ( -7.877 0.000 2.182) 8.174 3.475 ( 2.769 -0.000 -0.422) 2.801 3.772 ( -7.706 0.000 0.067) 7.706 3.823 ( 8.829 -0.000 16.431) 18.653 3.830 ( 2.837 -0.000 -5.139) 5.870 4.114 ( 4.816 -0.000 0.971) 4.913 4.267 ( -0.261 0.000 -2.547) 2.561 4.616 ( -8.692 0.000 -4.946) 10.001 4.681 ( 5.873 -0.000 2.557) 6.405 4.821 ( -0.336 0.000 4.654) 4.666 4.926 ( 0.942 -0.000 1.238) 1.555 5.116 ( -0.838 0.000 -1.786) 1.973 5.232 ( 0.050 -0.000 0.845) 0.847 5.471 ( -0.875 0.000 2.430) 2.583 5.656 ( -1.153 0.000 2.137) 2.428 5.847 ( 0.599 -0.000 4.133) 4.176 5.909 ( 0.587 -0.000 1.206) 1.341 6.175 ( 1.405 -0.000 -3.411) 3.689 6.778 ( 0.032 -0.000 -0.121) 0.125 6.896 ( 3.163 -0.000 -4.707) 5.671 6.971 ( -3.433 0.000 3.676) 5.029 7.133 ( 2.106 -0.000 -7.125) 7.429 7.376 ( -1.611 0.000 -3.130) 3.521 7.415 ( 1.726 -0.000 -3.187) 3.624 7.630 ( -0.346 0.000 1.700) 1.735 8.534 ( 0.882 -0.000 1.848) 2.048 8.742 ( -1.289 0.000 -0.172) 1.301 8.766 ( -0.442 0.000 0.167) 0.472 9.173 ( 1.360 -0.000 -0.430) 1.426 9.472 ( 0.152 -0.000 -0.928) 0.940 9.666 ( -0.348 0.000 -4.349) 4.363 10.722 ( -0.617 0.000 1.872) 1.972 10.828 ( 0.571 -0.000 -2.630) 2.692 10.934 ( -3.674 0.000 5.776) 6.845 11.122 ( 4.102 -0.000 6.143) 7.387 11.497 ( -0.885 0.000 2.432) 2.588 11.523 ( -1.693 0.000 -0.019) 1.693 11.524 ( 0.746 -0.000 1.851) 1.996 11.711 ( 3.475 -0.000 6.863) 7.693 12.191 ( -4.134 0.000 -5.924) 7.224 12.537 ( -0.419 0.000 -3.883) 3.905 ======================= Grid point 61 (30/89) ======================= q-point: (-0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -12.227 -5.805 -1.797) 13.654 1.798 ( 1.945 -0.707 0.322) 2.094 1.887 ( -7.706 -0.138 -0.570) 7.729 2.088 ( -8.475 -3.910 6.722) 11.503 2.192 ( 4.199 5.076 3.102) 7.282 2.361 ( -9.651 1.196 -2.433) 10.025 2.486 ( 3.942 1.695 -3.202) 5.354 2.599 ( 9.746 -5.014 7.152) 13.087 2.713 ( 0.393 -5.954 -1.055) 6.059 3.051 ( -9.252 -3.627 0.924) 9.980 3.155 ( -5.353 -1.783 1.381) 5.808 3.206 ( 0.643 -0.566 3.522) 3.625 3.261 ( -5.990 -6.062 1.057) 8.587 3.330 ( 2.239 -1.851 -2.961) 4.148 3.544 ( 4.357 -1.244 -1.710) 4.843 3.700 ( -1.618 -0.665 -0.768) 1.911 3.813 ( -1.308 4.643 2.914) 5.635 3.900 ( 3.176 0.405 1.650) 3.602 4.054 ( -4.036 3.779 6.279) 8.366 4.279 ( 1.646 -1.605 2.781) 3.608 4.585 ( -0.104 0.456 2.314) 2.361 4.730 ( 3.225 4.423 0.957) 5.557 4.795 ( -0.164 0.471 -2.119) 2.177 5.001 ( 5.419 -0.163 0.027) 5.421 5.133 ( 4.980 -2.575 -1.221) 5.738 5.238 ( -2.901 2.821 1.140) 4.205 5.324 ( 0.805 7.493 2.558) 7.958 5.652 ( -0.481 0.418 0.774) 1.002 5.817 ( 1.501 6.638 3.370) 7.595 5.966 ( -0.055 -3.611 1.138) 3.786 6.207 ( -0.229 -4.146 -1.441) 4.395 6.704 ( -0.388 6.243 -1.217) 6.372 6.937 ( -2.179 -0.579 2.295) 3.217 7.000 ( 4.154 -4.185 -0.180) 5.899 7.162 ( 0.500 -1.088 -7.637) 7.731 7.345 ( -2.274 -0.123 -4.621) 5.152 7.433 ( 1.582 0.903 -1.871) 2.611 7.625 ( 0.754 0.784 0.297) 1.127 8.561 ( 1.954 -0.934 2.154) 3.055 8.707 ( -0.617 1.671 -1.317) 2.216 8.809 ( -0.439 -4.684 0.029) 4.705 9.185 ( 1.006 0.535 0.062) 1.142 9.460 ( 0.231 1.423 -0.061) 1.442 9.641 ( -0.704 1.908 -4.086) 4.564 10.724 ( -0.059 -1.027 0.548) 1.166 10.851 ( -1.810 -0.416 8.391) 8.594 10.894 ( -5.129 -5.108 -3.616) 8.092 11.194 ( 6.333 0.470 5.126) 8.161 11.424 ( -0.778 5.439 -0.719) 5.541 11.526 ( 0.095 -1.224 4.576) 4.737 11.550 ( 0.739 -1.404 2.322) 2.812 11.819 ( 4.364 -6.249 5.667) 9.498 12.073 ( -4.159 6.262 -6.909) 10.210 12.576 ( -2.844 -5.762 -4.713) 7.969 ======================= Grid point 62 (31/89) ======================= q-point: (-0.17 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -10.754 -11.792 -2.824) 16.207 1.766 ( 2.051 6.617 2.696) 7.434 1.865 ( 4.111 2.359 1.727) 5.045 2.040 ( -14.209 -8.380 6.575) 17.758 2.067 ( 3.043 13.856 2.864) 14.472 2.254 ( -5.331 -1.568 -1.919) 5.879 2.530 ( 2.737 -1.308 -4.788) 5.668 2.748 ( -1.051 -2.120 -2.655) 3.556 2.880 ( -3.813 -14.960 3.173) 15.761 2.975 ( -3.783 -4.280 3.283) 6.588 3.119 ( -2.432 0.339 3.107) 3.960 3.251 ( -5.675 -6.314 1.194) 8.573 3.321 ( -1.273 -5.458 1.883) 5.912 3.385 ( 3.780 0.185 -0.859) 3.881 3.566 ( 1.393 2.299 -2.527) 3.689 3.680 ( -0.973 4.106 2.329) 4.820 3.765 ( 0.794 -0.850 0.254) 1.191 3.926 ( -3.542 2.012 -0.708) 4.134 3.937 ( 3.351 2.249 0.831) 4.121 4.325 ( 1.995 2.733 5.646) 6.582 4.546 ( 0.225 2.795 3.811) 4.731 4.650 ( 0.602 5.656 6.697) 8.787 4.819 ( 2.534 -2.014 -1.461) 3.552 5.043 ( -1.993 -0.097 0.253) 2.011 5.063 ( -2.766 3.541 -0.742) 4.554 5.266 ( 2.324 -3.143 0.848) 4.000 5.326 ( 5.372 2.444 -1.356) 6.056 5.642 ( -0.723 0.864 2.551) 2.788 5.710 ( 3.188 6.708 0.842) 7.474 5.961 ( -1.369 2.381 -0.614) 2.815 6.314 ( 0.160 -7.826 -0.071) 7.828 6.597 ( -0.844 5.416 0.038) 5.481 6.936 ( -0.314 -1.156 0.407) 1.265 7.099 ( 3.096 -1.528 3.942) 5.240 7.164 ( -1.209 -0.009 -8.323) 8.410 7.328 ( -3.033 -1.380 -6.413) 7.227 7.426 ( 2.954 2.675 -1.696) 4.331 7.624 ( 0.441 0.351 -1.103) 1.239 8.613 ( 2.241 -1.881 1.452) 3.266 8.665 ( -1.024 2.213 -1.630) 2.933 8.901 ( 1.352 -5.235 -1.326) 5.567 9.175 ( -0.027 1.505 -0.050) 1.506 9.437 ( -0.410 1.176 0.855) 1.511 9.596 ( -0.318 2.032 -2.655) 3.358 10.755 ( 0.697 -1.101 3.525) 3.757 10.777 ( -3.933 0.981 5.111) 6.524 10.988 ( -0.624 -7.419 -1.124) 7.529 11.228 ( 0.947 3.345 2.679) 4.389 11.338 ( 2.461 3.748 -1.853) 4.851 11.517 ( -0.023 1.429 4.582) 4.799 11.635 ( 2.631 -4.498 4.019) 6.581 11.912 ( -5.867 4.518 -5.583) 9.273 12.008 ( 6.162 -7.179 2.386) 9.757 12.616 ( -4.165 -4.320 -4.934) 7.769 ======================= Grid point 67 (32/89) ======================= q-point: (-0.33 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -17.411 0.000 1.176) 17.450 1.542 ( -23.373 0.000 4.491) 23.800 1.819 ( 1.518 -0.000 1.268) 1.978 2.160 ( 4.928 -0.000 4.696) 6.807 2.193 ( -5.235 0.000 -1.955) 5.588 2.331 ( 1.520 -0.000 -2.379) 2.824 2.583 ( -5.281 0.000 -1.107) 5.395 2.616 ( 5.665 -0.000 -4.130) 7.011 2.701 ( 8.538 -0.000 7.768) 11.543 2.750 ( -28.810 0.000 7.721) 29.827 3.017 ( -7.669 0.000 -3.750) 8.537 3.082 ( -6.439 0.000 5.716) 8.610 3.244 ( 4.118 -0.000 2.261) 4.698 3.402 ( 4.102 -0.000 -4.311) 5.951 3.615 ( 5.943 -0.000 0.226) 5.948 3.666 ( -0.112 0.000 -0.620) 0.630 3.792 ( -5.626 0.000 0.968) 5.709 3.922 ( 2.529 -0.000 -7.167) 7.600 4.173 ( 8.027 -0.000 21.305) 22.767 4.246 ( -1.078 0.000 -0.838) 1.365 4.561 ( -3.906 0.000 4.811) 6.197 4.774 ( 0.435 -0.000 -8.845) 8.856 4.778 ( -2.978 0.000 4.140) 5.100 5.066 ( -2.781 0.000 -3.090) 4.157 5.243 ( 17.655 -0.000 -3.826) 18.065 5.254 ( 1.592 -0.000 2.332) 2.824 5.389 ( -2.291 0.000 4.184) 4.770 5.695 ( 1.673 -0.000 0.819) 1.863 5.879 ( 1.496 -0.000 3.983) 4.255 5.920 ( 0.052 -0.000 2.167) 2.167 6.152 ( -2.709 0.000 -2.218) 3.502 6.760 ( -1.298 0.000 -0.218) 1.316 6.908 ( -1.158 0.000 1.392) 1.811 7.013 ( 4.995 -0.000 -3.429) 6.058 7.158 ( 0.176 -0.000 -4.210) 4.214 7.292 ( -4.513 0.000 -5.675) 7.250 7.479 ( 3.529 -0.000 -2.224) 4.171 7.651 ( 1.913 -0.000 0.766) 2.060 8.585 ( 2.632 -0.000 3.241) 4.175 8.731 ( 0.514 -0.000 -0.842) 0.986 8.743 ( -1.060 0.000 -0.397) 1.132 9.201 ( 0.650 -0.000 0.851) 1.071 9.479 ( 0.378 -0.000 -0.499) 0.626 9.647 ( -0.873 0.000 -4.105) 4.197 10.717 ( 0.768 -0.000 -0.907) 1.189 10.760 ( -5.126 0.000 -0.913) 5.206 10.816 ( -5.013 0.000 6.966) 8.582 11.301 ( 7.867 -0.000 5.598) 9.656 11.464 ( -0.791 0.000 0.108) 0.798 11.520 ( 1.227 -0.000 4.325) 4.495 11.542 ( 0.453 -0.000 2.533) 2.574 11.818 ( 3.967 -0.000 7.067) 8.104 12.083 ( -4.685 0.000 -12.044) 12.923 12.468 ( -4.325 0.000 -3.031) 5.281 ======================= Grid point 68 (33/89) ======================= q-point: (-0.17 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -14.749 -11.371 5.860) 19.524 1.449 ( -20.714 -21.087 6.692) 30.307 1.834 ( 0.841 0.037 2.421) 2.563 2.125 ( 4.100 5.766 1.485) 7.229 2.159 ( -3.593 1.307 -1.887) 4.263 2.306 ( -9.642 2.216 6.429) 11.799 2.356 ( -18.243 -5.793 2.971) 19.370 2.531 ( -4.090 -1.276 -0.814) 4.361 2.738 ( 4.543 -1.802 -4.249) 6.476 2.852 ( 1.073 -7.906 3.459) 8.696 3.018 ( -5.614 -9.227 -2.933) 11.192 3.086 ( 2.632 -2.986 5.192) 6.542 3.310 ( 4.918 -1.134 2.035) 5.442 3.428 ( 1.125 0.754 -2.810) 3.119 3.615 ( 1.902 2.401 0.282) 3.076 3.738 ( 0.616 2.855 -1.291) 3.193 3.752 ( 2.906 -3.795 1.841) 5.122 3.926 ( -0.461 0.915 -6.974) 7.049 4.075 ( 0.400 10.080 5.456) 11.469 4.373 ( 3.833 -2.244 11.477) 12.306 4.520 ( -4.577 -3.209 5.045) 7.530 4.714 ( -2.521 1.993 4.167) 5.262 4.798 ( -0.012 -2.877 -4.615) 5.438 5.007 ( -1.954 1.331 -3.214) 3.990 5.165 ( -0.759 10.676 3.402) 11.230 5.355 ( 3.943 3.995 1.216) 5.743 5.447 ( 8.038 0.641 -2.905) 8.571 5.645 ( -0.263 2.693 -0.051) 2.706 5.849 ( 0.240 5.403 3.543) 6.466 5.951 ( -1.583 -0.969 0.016) 1.857 6.178 ( -1.246 -7.394 -0.510) 7.516 6.678 ( -1.276 6.017 -0.294) 6.158 6.915 ( 0.166 -1.349 0.138) 1.366 7.105 ( 3.348 -2.999 -1.459) 4.726 7.151 ( -0.885 0.616 -2.201) 2.451 7.249 ( -3.908 -2.008 -8.198) 9.302 7.510 ( 3.833 2.088 -1.347) 4.568 7.649 ( 0.244 2.528 -1.017) 2.735 8.624 ( 2.589 -0.639 3.154) 4.130 8.692 ( -0.550 2.158 -2.167) 3.108 8.833 ( 2.930 -6.642 -0.511) 7.278 9.196 ( -0.254 1.150 0.791) 1.418 9.466 ( 0.422 1.797 0.425) 1.894 9.617 ( -1.184 1.833 -2.971) 3.686 10.707 ( -2.070 -3.057 1.824) 4.118 10.748 ( -3.324 0.882 4.511) 5.673 10.836 ( -0.197 -9.252 -0.156) 9.255 11.331 ( 2.522 6.125 4.309) 7.902 11.421 ( 1.145 3.354 0.051) 3.544 11.542 ( 0.915 0.701 5.294) 5.418 11.588 ( 1.922 -4.310 2.584) 5.381 11.874 ( -4.507 0.798 -4.486) 6.409 12.027 ( 5.254 -2.888 -2.818) 6.625 12.464 ( -5.156 -5.706 -3.408) 8.412 ======================= Grid point 74 (34/89) ======================= q-point: (-0.17 -0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -9.766 0.000 22.708) 24.719 0.912 ( -24.451 0.000 13.612) 27.984 1.678 ( -46.070 0.000 19.016) 49.840 1.842 ( 0.033 -0.000 2.212) 2.212 2.110 ( 0.288 -0.000 -4.823) 4.831 2.339 ( 7.230 -0.000 7.673) 10.543 2.371 ( -0.013 0.000 -2.274) 2.274 2.531 ( -0.515 0.000 -4.066) 4.099 2.741 ( 4.234 -0.000 -4.995) 6.548 2.828 ( 3.785 -0.000 -0.220) 3.791 2.878 ( -3.050 0.000 -3.110) 4.356 3.138 ( 8.569 -0.000 6.197) 10.576 3.368 ( 4.882 -0.000 1.842) 5.217 3.438 ( 0.001 -0.000 -2.247) 2.247 3.678 ( -1.512 0.000 3.533) 3.844 3.722 ( 2.967 -0.000 -0.362) 2.989 3.784 ( 1.466 -0.000 -0.490) 1.546 3.910 ( -2.642 0.000 -7.434) 7.890 4.217 ( -1.310 0.000 0.902) 1.591 4.355 ( 0.190 -0.000 14.918) 14.919 4.411 ( -1.365 0.000 4.327) 4.537 4.679 ( -4.433 0.000 2.567) 5.123 4.771 ( 1.286 -0.000 -1.397) 1.899 5.010 ( -0.757 0.000 -1.641) 1.807 5.302 ( 1.789 -0.000 1.996) 2.681 5.416 ( 4.909 -0.000 3.774) 6.192 5.507 ( -0.813 0.000 -12.619) 12.645 5.689 ( -2.457 0.000 1.474) 2.866 5.894 ( -1.041 0.000 2.818) 3.004 5.910 ( -0.453 0.000 3.188) 3.220 6.081 ( -1.950 0.000 -1.901) 2.723 6.727 ( -1.027 0.000 0.032) 1.028 6.902 ( 0.469 -0.000 -0.044) 0.471 7.106 ( 1.355 -0.000 -7.088) 7.217 7.141 ( -2.461 0.000 3.344) 4.151 7.194 ( -0.296 0.000 -8.406) 8.411 7.574 ( 3.334 -0.000 -2.391) 4.103 7.699 ( -0.565 0.000 -6.110) 6.136 8.653 ( 2.495 -0.000 3.507) 4.303 8.738 ( 1.543 -0.000 2.856) 3.247 8.762 ( 1.652 -0.000 -0.441) 1.710 9.201 ( -0.641 0.000 0.828) 1.047 9.487 ( 0.232 -0.000 0.243) 0.336 9.625 ( -0.649 0.000 -2.948) 3.019 10.637 ( -3.035 0.000 1.935) 3.599 10.699 ( -3.782 0.000 6.489) 7.511 10.767 ( 2.768 -0.000 -1.672) 3.234 11.452 ( 2.015 -0.000 5.054) 5.441 11.461 ( 0.109 -0.000 0.476) 0.488 11.545 ( -3.721 0.000 -1.540) 4.027 11.566 ( 2.502 -0.000 -0.037) 2.503 11.826 ( -4.529 0.000 -8.399) 9.542 12.020 ( 5.088 -0.000 5.973) 7.846 12.352 ( -3.980 0.000 -0.073) 3.981 ======================= Grid point 75 (35/89) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -24.410 0.000 24.005) 34.236 1.086 ( 3.277 -0.000 25.553) 25.762 1.563 ( 10.729 -0.000 16.080) 19.331 1.990 ( -2.525 0.000 14.736) 14.951 2.100 ( 4.604 -0.000 -3.653) 5.877 2.165 ( -4.983 0.000 -10.583) 11.697 2.434 ( 0.513 -0.000 -1.688) 1.764 2.716 ( 2.445 -0.000 -6.059) 6.534 2.738 ( 8.757 -0.000 6.696) 11.024 2.810 ( 0.668 -0.000 -0.207) 0.699 2.885 ( 1.742 -0.000 -1.782) 2.492 3.420 ( -3.765 0.000 3.921) 5.436 3.487 ( -1.519 0.000 -0.135) 1.525 3.488 ( 6.133 -0.000 1.400) 6.291 3.558 ( -3.297 0.000 0.306) 3.311 3.732 ( -1.313 0.000 -1.212) 1.787 3.743 ( -1.839 0.000 -5.373) 5.679 3.798 ( -2.593 0.000 0.925) 2.753 4.052 ( -3.593 0.000 -7.258) 8.099 4.253 ( 1.743 -0.000 2.568) 3.104 4.630 ( 2.742 -0.000 5.423) 6.077 4.641 ( -0.198 0.000 4.065) 4.069 5.016 ( -7.928 0.000 -1.230) 8.023 5.073 ( -1.381 0.000 1.184) 1.819 5.079 ( 4.467 -0.000 0.645) 4.514 5.323 ( -1.283 0.000 -0.953) 1.598 5.591 ( 0.459 -0.000 1.729) 1.789 5.736 ( -0.377 0.000 6.158) 6.170 5.833 ( -1.680 0.000 -3.994) 4.333 6.043 ( -1.330 0.000 2.824) 3.122 6.054 ( 4.576 -0.000 5.605) 7.236 6.695 ( -3.610 0.000 -22.178) 22.470 6.728 ( 1.163 -0.000 1.015) 1.544 6.972 ( 0.708 -0.000 1.557) 1.710 7.073 ( 3.748 -0.000 -3.769) 5.315 7.237 ( -8.836 0.000 -5.007) 10.156 7.308 ( 0.329 -0.000 6.251) 6.259 7.679 ( 3.293 -0.000 -0.679) 3.362 8.685 ( -1.600 0.000 0.752) 1.768 8.799 ( 1.245 -0.000 -0.598) 1.381 8.908 ( -0.546 0.000 4.943) 4.973 9.158 ( -2.195 0.000 -1.264) 2.533 9.481 ( -1.482 0.000 -0.027) 1.482 9.574 ( 0.643 -0.000 -2.408) 2.492 10.650 ( -0.994 0.000 1.436) 1.746 10.742 ( -1.314 0.000 4.237) 4.436 10.869 ( 5.212 -0.000 2.410) 5.742 11.110 ( -2.995 0.000 -1.586) 3.389 11.507 ( -3.717 0.000 5.111) 6.320 11.548 ( 1.494 -0.000 3.369) 3.685 11.592 ( -0.582 0.000 -1.160) 1.297 11.812 ( 2.606 -0.000 -2.528) 3.630 12.337 ( 0.108 -0.000 2.067) 2.069 12.429 ( 7.333 -0.000 -0.821) 7.379 ======================= Grid point 76 (36/89) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.822 -15.005 16.459) 22.287 1.311 ( 8.775 -10.165 16.653) 21.393 1.860 ( 10.649 -12.710 4.436) 17.164 1.989 ( -0.563 -6.085 13.057) 14.416 2.050 ( -5.048 3.400 -7.775) 9.874 2.201 ( 3.433 -3.440 -1.169) 4.998 2.452 ( 1.617 -1.046 2.795) 3.394 2.738 ( -0.161 6.642 5.070) 8.357 2.756 ( 0.066 -2.568 -2.659) 3.698 2.883 ( 5.229 -6.309 -2.417) 8.543 2.998 ( 3.487 -7.281 3.758) 8.905 3.288 ( -10.850 0.589 3.818) 11.517 3.414 ( -3.421 3.088 -3.121) 5.566 3.496 ( -1.104 1.157 0.524) 1.683 3.587 ( 1.683 1.365 -1.548) 2.663 3.714 ( -1.700 -0.968 -2.625) 3.274 3.731 ( -5.623 -1.656 5.723) 8.192 3.843 ( 6.317 -6.081 -3.871) 9.585 3.967 ( -1.775 6.589 -2.302) 7.202 4.240 ( 2.218 3.632 2.800) 5.094 4.621 ( 2.006 2.825 7.255) 8.040 4.659 ( 1.249 -0.253 5.358) 5.507 4.960 ( -0.317 -4.717 2.682) 5.435 5.067 ( -2.164 0.362 -3.826) 4.411 5.182 ( 2.187 -3.898 0.082) 4.470 5.290 ( -2.546 1.940 -3.241) 4.555 5.502 ( -4.245 9.559 6.323) 12.222 5.728 ( 3.036 0.444 2.208) 3.780 5.809 ( 0.989 1.501 -4.124) 4.498 5.911 ( -0.929 8.788 4.447) 9.893 6.230 ( -0.206 -10.313 1.256) 10.391 6.610 ( -0.852 3.713 -11.883) 12.479 6.788 ( 0.243 -3.959 -7.049) 8.089 7.002 ( 0.547 -1.631 1.786) 2.480 7.134 ( 2.935 -1.744 -3.649) 4.997 7.184 ( -2.426 -2.098 -2.874) 4.307 7.297 ( 0.057 1.352 4.004) 4.227 7.680 ( 2.043 3.510 -0.597) 4.105 8.652 ( -2.067 0.589 -0.149) 2.154 8.735 ( -0.308 4.694 2.511) 5.332 8.971 ( -1.487 -6.082 0.716) 6.302 9.103 ( -1.871 3.103 -1.842) 4.065 9.460 ( -1.909 0.260 -0.139) 1.931 9.562 ( 1.487 2.019 -1.421) 2.883 10.682 ( -1.125 -4.581 0.662) 4.763 10.810 ( -0.277 -7.876 4.045) 8.858 10.921 ( 3.146 1.509 2.266) 4.160 11.138 ( 5.135 -0.305 -0.215) 5.149 11.428 ( -1.707 3.433 3.979) 5.526 11.533 ( 0.133 1.540 1.131) 1.915 11.630 ( -0.257 -3.785 1.061) 3.939 11.866 ( -0.196 -3.034 -2.041) 3.662 12.313 ( -0.252 3.144 2.346) 3.931 12.498 ( 1.306 -1.793 -4.974) 5.446 ======================= Grid point 77 (37/89) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 9.942 -14.859 5.056) 18.579 1.513 ( 4.076 -4.390 2.601) 6.531 1.939 ( 0.994 1.154 3.165) 3.513 1.967 ( -1.473 -0.154 3.706) 3.991 2.220 ( 4.353 -2.102 -3.384) 5.901 2.286 ( -4.416 -3.523 2.167) 6.051 2.559 ( 0.514 -2.161 4.772) 5.264 2.632 ( 1.903 -0.372 -0.333) 1.968 2.840 ( 1.804 -10.185 4.966) 11.474 3.082 ( -0.511 -2.841 -0.282) 2.900 3.111 ( 7.838 -3.646 -0.924) 8.694 3.208 ( -6.441 -7.209 4.227) 10.551 3.382 ( 0.192 0.166 -0.499) 0.559 3.444 ( -3.375 -1.398 -0.690) 3.718 3.559 ( 0.430 3.560 -4.553) 5.796 3.637 ( -3.301 1.220 5.553) 6.574 3.795 ( -1.992 -5.660 2.436) 6.476 3.829 ( -1.274 5.371 3.834) 6.721 4.021 ( 5.278 -4.354 -3.151) 7.533 4.208 ( 2.115 3.704 4.142) 5.945 4.613 ( 2.496 2.499 6.575) 7.464 4.698 ( 2.316 -1.979 5.140) 5.975 4.994 ( -5.399 0.942 -4.660) 7.194 5.105 ( -0.823 -7.020 5.301) 8.835 5.114 ( -1.747 6.328 -3.615) 7.495 5.235 ( -0.499 9.568 7.282) 12.034 5.381 ( 0.509 -6.629 0.282) 6.655 5.696 ( 0.461 11.775 2.694) 12.088 5.746 ( 0.325 3.564 -0.678) 3.642 5.843 ( 1.577 -2.027 -1.343) 2.899 6.373 ( -1.421 -7.474 -0.962) 7.668 6.547 ( 0.184 3.509 -4.537) 5.738 6.850 ( 0.310 -3.407 -10.065) 10.630 7.023 ( 0.153 -0.094 1.054) 1.069 7.167 ( -1.653 -1.778 -3.535) 4.288 7.209 ( 1.019 0.375 0.216) 1.107 7.303 ( 2.525 -1.293 -1.673) 3.293 7.633 ( 0.481 3.683 -1.714) 4.091 8.617 ( -2.674 -0.008 0.305) 2.692 8.687 ( 1.297 1.863 1.196) 2.566 9.003 ( -2.125 1.665 -1.315) 3.003 9.060 ( 0.018 -2.197 -1.812) 2.847 9.428 ( -1.626 0.315 0.383) 1.700 9.562 ( 1.916 0.833 -0.783) 2.231 10.736 ( -2.167 -3.711 0.854) 4.381 10.920 ( 3.348 2.804 1.084) 4.500 10.961 ( 0.334 -9.581 3.256) 10.125 11.179 ( 2.431 1.918 3.707) 4.831 11.381 ( 2.888 3.444 2.059) 4.944 11.519 ( -1.286 -0.640 0.462) 1.509 11.684 ( -1.256 -3.335 1.684) 3.942 11.876 ( -1.472 0.369 -0.896) 1.762 12.242 ( -0.621 3.999 2.753) 4.895 12.529 ( -1.093 -1.936 -6.427) 6.800 ======================= Grid point 78 (38/89) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -1.109 4.397 -0.305) 4.545 1.749 ( 8.127 -10.537 -0.931) 13.340 1.968 ( 4.000 0.211 5.574) 6.864 1.980 ( -0.063 -1.926 2.923) 3.501 2.144 ( -10.257 5.895 7.986) 14.273 2.248 ( 1.465 0.938 -0.693) 1.873 2.525 ( 2.709 2.885 -0.473) 3.986 2.674 ( -0.458 -0.222 -2.835) 2.880 2.980 ( -4.604 5.107 0.950) 6.941 3.052 ( -0.487 -5.927 1.013) 6.033 3.217 ( 0.486 4.406 2.748) 5.216 3.327 ( -0.453 -0.154 -2.894) 2.934 3.354 ( -1.020 -5.165 3.977) 6.598 3.437 ( -3.103 4.547 3.936) 6.767 3.518 ( 5.831 -2.359 -4.219) 7.574 3.637 ( 1.138 -2.666 0.387) 2.924 3.801 ( -1.841 -0.542 0.843) 2.096 3.816 ( 0.495 -1.507 5.623) 5.843 4.035 ( -1.286 7.471 1.296) 7.691 4.227 ( 0.345 -5.188 0.562) 5.230 4.622 ( 1.589 -0.687 3.874) 4.243 4.752 ( -0.041 -2.124 8.430) 8.694 4.916 ( -6.261 -3.059 -0.572) 6.992 4.981 ( -0.051 3.589 -2.064) 4.141 5.127 ( 3.997 1.813 6.859) 8.143 5.272 ( 0.533 -5.768 3.284) 6.659 5.434 ( -0.317 6.960 4.713) 8.412 5.602 ( 0.855 -7.719 0.555) 7.786 5.725 ( 3.649 3.782 -1.824) 5.563 5.875 ( -1.618 -1.599 -1.573) 2.766 6.393 ( -0.555 3.316 -1.692) 3.764 6.528 ( -1.198 -2.310 -1.456) 2.982 6.896 ( 0.902 -0.908 -10.502) 10.580 7.010 ( -0.070 1.116 -1.734) 2.063 7.149 ( -2.175 1.441 -6.722) 7.210 7.210 ( 0.121 -0.886 4.151) 4.246 7.383 ( 3.197 -3.243 -2.475) 5.183 7.578 ( -1.094 2.465 -3.505) 4.423 8.598 ( -1.013 -0.841 0.181) 1.329 8.690 ( 0.999 -0.055 1.380) 1.704 8.954 ( 1.178 2.523 -1.357) 3.097 9.103 ( -1.147 -3.201 -1.935) 3.912 9.419 ( -0.409 -0.902 0.601) 1.159 9.570 ( 0.687 0.545 -0.716) 1.132 10.743 ( -2.447 -1.034 0.202) 2.664 10.919 ( 3.378 3.198 2.630) 5.344 11.111 ( 1.034 -3.852 2.647) 4.787 11.157 ( 0.248 -0.592 4.925) 4.967 11.372 ( 2.545 2.001 -0.165) 3.242 11.511 ( -4.717 -2.564 -1.391) 5.546 11.692 ( -2.625 -0.829 2.013) 3.410 11.839 ( 0.629 2.853 2.196) 3.655 12.198 ( 2.635 2.155 2.575) 4.268 12.520 ( -1.370 1.457 -6.125) 6.444 ======================= Grid point 79 (39/89) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -0.359 6.895 9.195) 11.499 1.735 ( -10.895 12.347 10.805) 19.696 1.944 ( 0.633 2.137 4.483) 5.006 2.024 ( 1.247 1.755 -5.117) 5.551 2.091 ( -0.971 -7.898 1.521) 8.101 2.292 ( 4.493 -2.534 0.659) 5.200 2.471 ( -0.617 12.859 -0.501) 12.884 2.619 ( -5.462 5.022 7.485) 10.540 2.777 ( -0.038 6.515 1.513) 6.689 2.965 ( -5.296 6.513 2.827) 8.858 3.078 ( -4.141 9.425 0.345) 10.300 3.286 ( 4.109 1.836 2.957) 5.385 3.363 ( 0.356 -2.047 -3.457) 4.034 3.469 ( 5.116 1.035 4.728) 7.042 3.615 ( 1.355 -2.302 -0.111) 2.674 3.681 ( -0.235 -0.722 -0.833) 1.127 3.803 ( 1.850 1.745 -1.611) 3.010 3.884 ( 1.442 -0.025 0.921) 1.711 3.916 ( -2.497 -5.675 -0.563) 6.225 4.267 ( -5.820 -2.856 -6.008) 8.839 4.630 ( -1.615 -0.974 4.122) 4.533 4.739 ( -5.251 0.834 3.594) 6.417 4.961 ( 1.881 1.271 0.015) 2.270 5.009 ( 1.081 -5.787 4.669) 7.513 5.177 ( 5.747 1.741 9.972) 11.640 5.292 ( -1.314 -4.471 -0.347) 4.673 5.457 ( 1.676 -6.692 6.427) 9.429 5.679 ( 2.624 5.813 -0.930) 6.445 5.768 ( -1.730 -9.220 1.084) 9.444 5.868 ( -3.232 -2.214 -1.138) 4.080 6.304 ( 0.961 7.232 -0.309) 7.302 6.565 ( -1.460 -4.445 -2.426) 5.270 6.882 ( -0.246 2.679 -11.481) 11.792 7.008 ( 0.647 -0.278 -4.354) 4.411 7.076 ( -0.507 4.383 -5.936) 7.397 7.242 ( 0.313 -2.195 5.991) 6.388 7.475 ( -0.753 -3.854 -2.846) 4.850 7.519 ( -0.400 1.794 -4.769) 5.111 8.621 ( 0.620 -2.052 0.094) 2.146 8.711 ( 0.247 -1.359 2.293) 2.677 8.945 ( 3.547 2.699 -0.995) 4.567 9.135 ( -1.863 -3.281 -1.655) 4.120 9.448 ( 1.000 -2.087 0.272) 2.330 9.558 ( -1.041 0.446 -0.757) 1.362 10.722 ( -1.006 0.668 -0.202) 1.224 10.887 ( 2.608 5.230 3.383) 6.752 11.025 ( -0.528 8.745 3.543) 9.450 11.278 ( -1.560 -6.991 4.301) 8.355 11.367 ( -4.803 -3.405 -4.239) 7.255 11.489 ( -2.615 -1.981 -1.695) 3.692 11.666 ( -0.484 1.624 2.364) 2.909 11.813 ( 2.847 2.589 3.787) 5.399 12.239 ( 6.253 0.472 2.234) 6.657 12.444 ( -1.107 5.171 -3.963) 6.608 ======================= Grid point 80 (40/89) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -2.483 7.358 19.130) 20.646 1.355 ( -13.224 11.030 20.724) 26.945 1.729 ( -9.630 19.313 6.719) 22.603 2.003 ( 0.169 -0.047 5.244) 5.246 2.121 ( 0.121 8.966 6.229) 10.918 2.185 ( -3.829 -4.954 -5.299) 8.203 2.418 ( 1.556 -2.576 -1.600) 3.408 2.596 ( 6.220 -0.543 7.764) 9.963 2.759 ( 3.443 5.961 -4.660) 8.313 2.826 ( -0.968 3.172 -1.989) 3.867 2.904 ( 1.962 6.342 -0.272) 6.644 3.354 ( 4.810 -2.060 2.710) 5.892 3.408 ( 3.283 -1.017 -0.703) 3.508 3.503 ( 4.142 2.540 4.322) 6.503 3.629 ( -7.071 -3.217 1.321) 7.880 3.711 ( 0.248 -2.558 -3.065) 4.001 3.792 ( 1.798 1.157 -1.038) 2.377 3.824 ( -1.291 3.939 -1.871) 4.548 4.058 ( -3.884 -8.134 -4.307) 9.990 4.224 ( -3.419 -1.870 -2.500) 4.630 4.614 ( -1.795 0.283 7.001) 7.233 4.661 ( -2.780 0.532 2.615) 3.853 4.981 ( 0.494 -2.326 0.011) 2.378 5.025 ( 4.804 3.330 6.227) 8.541 5.215 ( -4.039 -0.079 -1.206) 4.216 5.343 ( -1.364 -0.706 -2.984) 3.356 5.608 ( 2.371 4.980 0.664) 5.555 5.633 ( -0.846 -11.847 10.889) 16.113 5.839 ( -3.007 -3.323 -3.859) 5.915 5.907 ( 0.083 -5.521 4.368) 7.041 6.186 ( 1.854 9.244 2.002) 9.638 6.639 ( -1.012 -6.076 -4.747) 7.777 6.807 ( -1.636 4.378 -14.532) 15.266 6.993 ( -0.359 2.303 -0.541) 2.393 7.041 ( 3.598 1.671 -5.171) 6.517 7.284 ( 0.677 -1.719 6.696) 6.947 7.383 ( -9.289 1.754 -7.835) 12.278 7.599 ( 3.908 -3.357 -0.786) 5.212 8.672 ( 0.416 -2.627 0.731) 2.758 8.742 ( 0.073 -2.579 2.310) 3.463 8.941 ( 3.775 4.004 0.505) 5.527 9.161 ( -2.098 -2.664 -1.273) 3.622 9.493 ( 0.492 -0.542 0.058) 0.735 9.546 ( -0.845 -1.806 -1.612) 2.564 10.691 ( 0.139 2.792 0.492) 2.839 10.831 ( -0.412 4.019 7.091) 8.162 10.864 ( 1.854 8.929 -1.302) 9.212 11.210 ( -12.163 -0.932 -3.712) 12.751 11.457 ( -0.066 -6.833 4.239) 8.041 11.521 ( 0.248 -2.643 0.492) 2.700 11.623 ( 0.348 3.191 1.248) 3.444 11.815 ( 3.751 3.436 -0.021) 5.087 12.321 ( 4.856 -0.657 1.869) 5.245 12.360 ( 2.996 4.183 0.661) 5.187 ======================= Grid point 82 (41/89) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 21.259 -0.000 8.123) 22.758 1.403 ( 18.015 -0.000 17.352) 25.013 1.904 ( 3.790 -0.000 10.353) 11.025 1.916 ( 6.638 -0.000 3.153) 7.349 2.022 ( -2.920 0.000 -9.236) 9.686 2.240 ( 4.516 -0.000 -0.591) 4.555 2.461 ( 1.319 -0.000 5.370) 5.530 2.711 ( -3.049 0.000 -4.090) 5.102 2.830 ( 1.749 -0.000 3.128) 3.584 2.856 ( -3.260 0.000 -1.119) 3.447 2.988 ( 10.941 -0.000 9.275) 14.343 3.128 ( -11.439 0.000 5.663) 12.764 3.396 ( -3.517 0.000 -6.492) 7.383 3.500 ( -2.536 0.000 0.679) 2.625 3.618 ( 1.092 -0.000 -3.621) 3.783 3.633 ( -6.700 0.000 7.864) 10.331 3.652 ( -5.009 0.000 -3.087) 5.884 3.897 ( 11.056 -0.000 -3.012) 11.459 4.012 ( -1.977 0.000 2.988) 3.583 4.283 ( -0.267 0.000 1.539) 1.562 4.665 ( 0.084 -0.000 7.345) 7.345 4.699 ( 4.292 -0.000 5.274) 6.800 4.928 ( 3.304 -0.000 4.244) 5.379 5.016 ( -6.045 0.000 -9.600) 11.345 5.197 ( 3.224 -0.000 -0.168) 3.229 5.268 ( -2.765 0.000 -0.367) 2.789 5.569 ( -0.405 0.000 5.241) 5.256 5.778 ( 1.778 -0.000 0.899) 1.993 5.835 ( 1.877 -0.000 -2.908) 3.461 6.008 ( -0.824 0.000 2.427) 2.563 6.059 ( -4.166 0.000 3.063) 5.171 6.611 ( -2.003 0.000 -21.679) 21.771 6.761 ( 0.687 -0.000 1.478) 1.630 7.001 ( 1.431 -0.000 3.066) 3.384 7.151 ( 1.827 -0.000 -2.190) 2.852 7.179 ( 3.163 -0.000 -3.852) 4.984 7.305 ( -0.499 0.000 2.314) 2.367 7.729 ( 0.328 -0.000 -0.328) 0.464 8.624 ( -2.959 0.000 -0.263) 2.971 8.812 ( -0.274 0.000 -0.670) 0.724 8.845 ( -2.501 0.000 7.030) 7.461 9.108 ( -1.252 0.000 -2.001) 2.360 9.452 ( -0.470 0.000 -0.612) 0.771 9.589 ( 0.485 -0.000 -2.647) 2.691 10.643 ( 1.188 -0.000 0.236) 1.211 10.750 ( 1.385 -0.000 3.983) 4.217 11.000 ( 4.590 -0.000 6.188) 7.704 11.235 ( 8.919 -0.000 -3.299) 9.509 11.394 ( -5.566 0.000 3.601) 6.629 11.552 ( -1.558 0.000 -0.125) 1.563 11.586 ( 1.195 -0.000 3.704) 3.892 11.824 ( -1.438 0.000 0.255) 1.461 12.363 ( 1.909 -0.000 -0.363) 1.943 12.452 ( -4.749 0.000 -4.164) 6.316 ======================= Grid point 83 (42/89) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 18.316 -6.397 2.459) 19.556 1.610 ( 12.473 2.453 4.401) 13.452 1.901 ( -2.462 -3.059 5.669) 6.896 2.009 ( 4.343 0.117 -0.873) 4.432 2.173 ( 6.806 -7.120 0.112) 9.850 2.279 ( 3.251 1.487 0.498) 3.609 2.534 ( 6.410 -4.865 5.484) 9.738 2.661 ( -2.258 1.069 -1.514) 2.922 2.758 ( -0.325 -0.103 4.453) 4.466 2.950 ( -1.759 -7.893 0.801) 8.126 3.034 ( -7.826 -2.779 4.286) 9.346 3.148 ( 5.636 -3.810 1.940) 7.074 3.397 ( -0.043 1.113 -2.506) 2.742 3.419 ( 1.264 0.662 -2.895) 3.228 3.554 ( -4.127 0.107 6.191) 7.442 3.632 ( 1.107 0.096 -1.642) 1.983 3.657 ( -3.160 -5.640 -0.356) 6.475 3.932 ( 0.613 6.085 7.932) 10.016 4.041 ( 5.112 -1.609 0.585) 5.391 4.263 ( -1.109 0.508 1.847) 2.214 4.688 ( 2.626 -1.175 7.095) 7.656 4.727 ( 4.181 3.699 3.652) 6.671 4.915 ( -8.822 0.220 -7.348) 11.483 5.015 ( 2.516 -4.304 4.213) 6.527 5.162 ( -3.563 3.876 -2.482) 5.820 5.276 ( 0.921 -2.526 0.681) 2.774 5.451 ( -1.050 11.333 5.279) 12.547 5.780 ( 0.808 0.395 1.068) 1.396 5.845 ( -0.870 4.624 2.073) 5.142 5.889 ( 2.051 5.167 -2.049) 5.925 6.180 ( -2.118 -11.908 1.573) 12.197 6.582 ( -0.574 1.446 -13.502) 13.591 6.798 ( 0.716 -3.519 -4.798) 5.993 7.024 ( 1.321 -0.335 3.253) 3.527 7.151 ( -0.677 0.855 -0.990) 1.473 7.229 ( 2.009 0.118 -2.478) 3.192 7.309 ( 1.218 -1.222 -3.018) 3.477 7.691 ( -1.230 3.332 -0.549) 3.594 8.585 ( -2.439 0.117 0.232) 2.453 8.739 ( 0.270 3.263 1.910) 3.791 8.913 ( -2.367 -5.756 2.119) 6.575 9.081 ( 0.355 1.905 -2.459) 3.131 9.434 ( -0.153 1.423 -0.240) 1.451 9.589 ( 0.462 0.458 -2.500) 2.583 10.682 ( 1.217 -1.736 0.023) 2.120 10.829 ( 1.547 -6.523 1.504) 6.870 11.030 ( 4.005 2.659 7.266) 8.712 11.254 ( 0.810 3.757 2.934) 4.835 11.413 ( 1.501 -3.483 -0.554) 3.832 11.509 ( -1.218 2.960 0.744) 3.287 11.621 ( -0.284 -2.320 3.123) 3.901 11.828 ( -1.734 -2.783 1.055) 3.445 12.293 ( -3.080 4.746 0.212) 5.662 12.464 ( -0.858 -4.270 -5.498) 7.014 ======================= Grid point 84 (43/89) ======================= q-point: ( 0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 2.779 2.758 -0.238) 3.923 1.752 ( 10.371 -4.605 -1.837) 11.495 1.909 ( -2.310 -2.412 2.520) 4.184 2.116 ( 4.603 6.981 4.248) 9.379 2.152 ( 2.001 3.158 9.097) 9.835 2.306 ( 4.247 0.815 -1.591) 4.608 2.591 ( 1.098 2.159 3.915) 4.604 2.678 ( 1.819 -2.034 -4.214) 5.020 2.946 ( 0.134 -6.260 -0.222) 6.265 2.966 ( -4.180 -0.855 2.623) 5.008 3.099 ( 1.062 -17.020 4.029) 17.523 3.246 ( -0.231 -1.396 -1.697) 2.210 3.305 ( -3.593 0.643 -3.510) 5.064 3.496 ( -0.834 3.922 6.233) 7.412 3.579 ( 9.450 -3.121 -2.630) 10.294 3.636 ( 1.232 0.418 -2.326) 2.665 3.721 ( -1.782 -5.118 -0.994) 5.510 3.879 ( 3.385 3.919 9.135) 10.501 4.050 ( -3.861 1.138 2.437) 4.706 4.261 ( 3.035 1.180 4.457) 5.520 4.669 ( 1.010 5.936 6.437) 8.814 4.744 ( -0.116 0.540 5.275) 5.304 4.803 ( -6.813 -1.321 -3.630) 7.832 5.011 ( -1.027 2.284 0.171) 2.510 5.163 ( 1.044 -4.304 0.839) 4.507 5.252 ( -0.797 6.067 5.501) 8.228 5.376 ( -0.885 -6.953 0.273) 7.015 5.672 ( -0.842 10.270 4.358) 11.188 5.791 ( 0.169 -0.501 0.388) 0.656 5.882 ( 2.246 3.221 -3.249) 5.097 6.333 ( -1.125 -8.362 0.765) 8.472 6.534 ( -0.232 3.457 -5.775) 6.735 6.880 ( 1.955 -3.636 -10.703) 11.472 7.036 ( 0.901 1.527 2.008) 2.679 7.120 ( -2.077 -0.579 1.145) 2.441 7.221 ( 0.262 1.489 -3.503) 3.815 7.369 ( 1.896 -2.632 -4.177) 5.289 7.608 ( -2.135 3.569 -1.939) 4.588 8.570 ( -0.635 -0.904 0.916) 1.435 8.708 ( 0.044 1.231 0.649) 1.392 8.956 ( -1.769 -3.109 0.585) 3.625 9.071 ( 1.390 0.766 -2.588) 3.036 9.419 ( 0.701 0.527 0.577) 1.050 9.581 ( -0.511 0.695 -1.975) 2.155 10.715 ( 0.540 -0.936 0.772) 1.328 10.971 ( 2.157 -5.631 -4.532) 7.543 11.041 ( 2.916 -0.126 10.889) 11.273 11.205 ( -0.829 2.394 5.038) 5.639 11.397 ( -6.326 3.272 -2.625) 7.590 11.473 ( 3.545 1.430 0.626) 3.874 11.653 ( -0.295 -2.089 3.697) 4.257 11.856 ( -0.222 -1.219 1.766) 2.157 12.208 ( -2.855 -0.103 2.144) 3.572 12.520 ( 1.219 -1.717 -7.150) 7.454 ======================= Grid point 85 (44/89) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.883 6.395 2.337) 6.865 1.847 ( -7.141 15.733 10.983) 20.473 1.919 ( 1.052 -4.423 1.665) 4.842 1.959 ( -0.547 -5.844 2.732) 6.474 2.160 ( 4.580 6.570 -1.700) 8.187 2.366 ( 6.450 2.075 0.965) 6.844 2.574 ( -0.737 -0.713 3.211) 3.371 2.724 ( 2.484 6.547 -2.856) 7.562 2.859 ( 0.401 2.117 -0.599) 2.236 3.003 ( -2.571 2.594 1.185) 3.840 3.135 ( -4.144 5.224 5.233) 8.476 3.305 ( 0.053 -2.522 -2.799) 3.768 3.383 ( 2.733 -0.962 2.129) 3.595 3.439 ( 1.575 -6.617 3.539) 7.668 3.606 ( -0.226 1.135 -2.590) 2.837 3.711 ( -1.990 4.935 1.088) 5.431 3.770 ( 2.634 -5.172 -0.437) 5.820 3.865 ( 0.762 0.374 2.499) 2.639 3.965 ( 0.548 3.198 1.218) 3.466 4.231 ( -0.547 5.711 -3.840) 6.903 4.598 ( -3.331 0.277 4.147) 5.326 4.687 ( -3.308 1.012 5.005) 6.084 4.876 ( 3.432 -10.247 6.781) 12.758 5.019 ( 2.670 1.647 0.097) 3.138 5.178 ( -1.002 -2.163 2.498) 3.453 5.263 ( -1.937 -4.188 1.762) 4.939 5.454 ( 2.334 3.039 5.622) 6.804 5.576 ( -3.009 -5.839 1.753) 6.798 5.792 ( -3.556 -1.511 0.186) 3.868 5.825 ( 2.541 6.141 -2.101) 6.970 6.416 ( 2.433 0.394 0.592) 2.535 6.480 ( -1.796 -0.387 -3.581) 4.025 6.928 ( 1.038 1.414 -13.225) 13.340 7.007 ( -0.106 0.346 -0.721) 0.807 7.124 ( 0.931 0.636 1.127) 1.594 7.211 ( 0.083 -1.002 -1.097) 1.488 7.409 ( -2.567 -0.971 -3.008) 4.072 7.542 ( 0.153 1.146 -3.566) 3.749 8.598 ( 0.988 -1.890 1.028) 2.367 8.693 ( -0.899 -0.075 0.399) 0.987 8.990 ( 0.313 -2.441 -0.598) 2.533 9.075 ( 0.141 0.181 -2.423) 2.434 9.440 ( 1.809 -1.138 0.826) 2.291 9.549 ( -2.037 1.074 -1.315) 2.652 10.734 ( 1.578 0.147 1.182) 1.977 10.986 ( 0.744 3.316 2.140) 4.016 11.141 ( -1.527 3.216 4.101) 5.431 11.173 ( 2.546 -6.905 4.696) 8.730 11.236 ( -7.852 3.766 -4.647) 9.871 11.490 ( 2.255 0.854 0.315) 2.432 11.682 ( 0.994 -0.459 3.313) 3.489 11.860 ( 0.708 0.280 2.597) 2.706 12.227 ( -1.252 -4.305 2.635) 5.200 12.534 ( 2.304 2.648 -7.240) 8.046 ======================= Grid point 86 (45/89) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -5.008 11.290 11.122) 16.621 1.466 ( -3.980 16.364 14.156) 22.000 1.958 ( -0.269 2.291 3.855) 4.493 2.026 ( -3.536 -5.596 -0.756) 6.663 2.084 ( 4.623 8.529 -4.097) 10.531 2.352 ( -0.652 10.541 0.237) 10.564 2.477 ( 3.261 11.881 9.034) 15.278 2.624 ( 2.024 -3.705 5.437) 6.884 2.849 ( -2.090 5.988 -1.608) 6.543 2.913 ( 6.077 3.659 -2.068) 7.389 3.052 ( 2.005 5.245 2.204) 6.032 3.319 ( -1.009 -1.176 -0.394) 1.599 3.437 ( 3.308 -1.348 0.753) 3.651 3.487 ( -6.720 -1.545 0.018) 6.895 3.602 ( -2.831 2.438 0.845) 3.830 3.668 ( 4.233 -4.302 0.332) 6.044 3.809 ( -3.394 -1.554 3.667) 5.233 3.853 ( 0.836 2.737 0.976) 3.024 3.955 ( 0.199 1.905 -8.019) 8.245 4.159 ( -0.033 -1.471 0.426) 1.532 4.583 ( -1.520 -1.410 5.837) 6.194 4.655 ( 0.271 0.612 5.236) 5.278 5.007 ( 2.333 2.928 -1.810) 4.158 5.060 ( 1.674 -3.279 2.707) 4.569 5.220 ( -3.866 -4.712 1.151) 6.203 5.275 ( 0.678 0.520 -0.066) 0.858 5.427 ( -4.041 -3.752 7.443) 9.263 5.689 ( -1.737 -6.491 0.903) 6.779 5.754 ( 1.599 -0.401 0.022) 1.649 5.810 ( -0.547 -2.227 1.247) 2.610 6.362 ( 2.624 7.960 0.282) 8.386 6.534 ( -0.242 -5.464 -3.692) 6.599 6.868 ( -0.751 4.340 -12.355) 13.117 7.015 ( 0.409 0.309 -1.000) 1.123 7.123 ( 3.510 2.253 -2.369) 4.796 7.249 ( -0.479 -2.560 1.291) 2.907 7.317 ( -6.249 3.016 -2.260) 7.297 7.589 ( 2.807 -3.029 -2.016) 4.595 8.645 ( 1.071 -1.499 0.492) 1.907 8.690 ( -1.818 -2.052 1.315) 3.041 9.032 ( 2.520 1.275 -1.803) 3.351 9.071 ( -2.843 -2.904 -1.708) 4.408 9.495 ( -1.049 -2.091 0.265) 2.354 9.501 ( 0.440 0.641 -0.599) 0.981 10.747 ( 2.131 2.024 0.792) 3.044 10.907 ( -2.134 3.959 4.995) 6.722 11.011 ( -3.093 9.261 -1.498) 9.878 11.117 ( -0.890 0.756 0.337) 1.216 11.334 ( 0.943 -7.571 3.000) 8.198 11.508 ( 1.279 -0.362 0.744) 1.523 11.679 ( 0.920 2.497 1.520) 3.065 11.881 ( 1.726 -0.120 1.134) 2.069 12.279 ( -1.944 -3.582 2.256) 4.659 12.507 ( 3.719 4.120 -5.880) 8.086 ======================= Grid point 89 (46/89) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 12.654 -0.000 2.210) 12.846 1.796 ( -4.599 0.000 4.756) 6.616 1.825 ( 9.918 -0.000 -1.470) 10.027 2.086 ( 10.603 -0.000 5.681) 12.029 2.226 ( 5.396 -0.000 1.417) 5.579 2.346 ( 3.858 -0.000 1.242) 4.053 2.598 ( -5.826 0.000 0.989) 5.910 2.606 ( 12.425 -0.000 1.827) 12.559 2.775 ( -3.333 0.000 2.346) 4.076 2.855 ( -0.697 0.000 4.240) 4.297 2.934 ( -2.137 0.000 1.366) 2.536 3.151 ( 2.148 -0.000 -1.938) 2.893 3.396 ( -6.692 0.000 -2.982) 7.326 3.416 ( -2.941 0.000 -1.646) 3.370 3.545 ( 4.427 -0.000 9.154) 10.168 3.610 ( 7.815 -0.000 -0.013) 7.815 3.655 ( 1.689 -0.000 -5.922) 6.158 4.034 ( 6.001 -0.000 15.493) 16.615 4.072 ( -0.573 0.000 3.011) 3.065 4.214 ( -3.617 0.000 -1.263) 3.831 4.703 ( 0.846 -0.000 4.688) 4.764 4.785 ( -9.300 0.000 -7.541) 11.973 4.828 ( 4.839 -0.000 1.564) 5.085 5.011 ( 0.413 -0.000 3.352) 3.378 5.143 ( -4.007 0.000 -0.661) 4.061 5.263 ( -0.155 0.000 0.800) 0.815 5.559 ( -1.022 0.000 5.754) 5.844 5.781 ( -1.885 0.000 1.834) 2.630 5.894 ( 1.993 -0.000 0.601) 2.082 5.950 ( -2.629 0.000 3.100) 4.064 6.034 ( 2.827 -0.000 -0.698) 2.912 6.598 ( 1.954 -0.000 -17.634) 17.742 6.767 ( 0.039 -0.000 -0.090) 0.098 7.043 ( 1.717 -0.000 2.567) 3.089 7.141 ( -2.574 0.000 0.911) 2.731 7.273 ( 3.454 -0.000 -4.702) 5.834 7.295 ( -0.437 0.000 -4.202) 4.224 7.695 ( -2.626 0.000 -0.505) 2.674 8.561 ( -1.342 0.000 0.683) 1.506 8.785 ( -1.703 0.000 -0.452) 1.762 8.820 ( -0.165 0.000 5.745) 5.748 9.106 ( 1.147 -0.000 -2.341) 2.607 9.450 ( 0.160 -0.000 -0.764) 0.780 9.591 ( -0.266 0.000 -3.723) 3.732 10.706 ( 3.318 -0.000 -2.156) 3.957 10.781 ( 0.044 -0.000 2.376) 2.377 11.095 ( 2.395 -0.000 9.520) 9.816 11.253 ( -4.143 0.000 5.205) 6.653 11.438 ( 5.656 -0.000 -3.480) 6.640 11.541 ( 0.620 -0.000 2.053) 2.145 11.602 ( -0.227 0.000 3.900) 3.906 11.778 ( -0.933 0.000 3.268) 3.399 12.272 ( -7.972 0.000 -3.229) 8.601 12.419 ( 2.006 -0.000 -4.518) 4.944 ======================= Grid point 90 (47/89) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.522 1.539 0.967) 1.891 1.778 ( 1.319 -2.342 3.373) 4.313 1.886 ( 2.061 1.397 -4.416) 5.070 2.208 ( 0.221 3.811 8.108) 8.962 2.341 ( 11.534 1.897 3.843) 12.304 2.366 ( 6.882 -4.088 2.503) 8.386 2.540 ( -7.496 -4.839 2.828) 9.360 2.638 ( -5.170 3.525 5.555) 8.367 2.796 ( -4.466 -5.779 2.144) 7.612 2.963 ( 9.155 -6.079 -0.509) 11.001 2.973 ( 7.364 -1.544 -2.396) 7.897 3.219 ( 2.224 -3.087 -4.334) 5.767 3.260 ( -6.694 1.839 -2.042) 7.236 3.467 ( -1.803 -8.670 -0.525) 8.871 3.550 ( -2.157 1.154 6.249) 6.711 3.665 ( 1.372 1.161 -6.920) 7.149 3.797 ( 15.523 0.964 -0.089) 15.553 3.962 ( -8.620 2.462 7.259) 11.535 4.062 ( 4.661 5.875 5.139) 9.091 4.270 ( 4.152 -4.202 5.172) 7.851 4.645 ( -10.488 -3.033 -3.969) 11.616 4.758 ( 1.265 0.079 5.315) 5.464 4.828 ( 3.073 5.642 3.833) 7.481 5.028 ( -0.840 -1.834 3.459) 4.005 5.083 ( -2.918 -0.221 -2.243) 3.687 5.280 ( -0.347 -3.260 0.616) 3.336 5.408 ( -1.531 13.117 5.398) 14.267 5.746 ( -2.795 0.286 3.930) 4.831 5.840 ( 1.078 6.671 2.401) 7.171 5.957 ( 1.800 0.980 -2.367) 3.131 6.166 ( 0.849 -9.679 1.154) 9.785 6.598 ( 2.093 3.338 -9.674) 10.446 6.824 ( 1.619 -5.293 -6.158) 8.280 7.070 ( 1.917 -0.398 1.635) 2.551 7.086 ( -4.009 1.197 1.108) 4.328 7.258 ( 0.367 2.114 -5.262) 5.683 7.344 ( 1.431 -2.463 -4.266) 5.130 7.633 ( -2.598 2.832 -1.510) 4.129 8.558 ( 0.456 -0.403 1.387) 1.515 8.731 ( -0.972 2.143 0.773) 2.477 8.865 ( -1.541 -4.055 2.960) 5.252 9.116 ( 2.179 1.099 -2.356) 3.392 9.443 ( 0.721 0.907 -0.096) 1.163 9.581 ( -0.828 0.555 -3.709) 3.841 10.723 ( 1.373 0.315 -0.094) 1.411 10.858 ( -0.184 -7.649 -2.170) 7.953 11.097 ( 0.348 1.902 9.644) 9.836 11.215 ( -0.325 1.339 6.709) 6.849 11.431 ( -0.572 5.083 -1.639) 5.371 11.548 ( 2.872 1.302 1.281) 3.403 11.616 ( -0.064 -2.123 4.222) 4.726 11.816 ( 1.190 -3.012 2.823) 4.296 12.152 ( -6.673 1.126 -0.967) 6.836 12.480 ( 0.896 -4.151 -6.876) 8.081 ======================= Grid point 91 (48/89) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -2.341 2.428 -1.283) 3.609 1.844 ( -0.130 -2.658 3.905) 4.725 1.894 ( -0.174 -0.604 3.171) 3.233 2.067 ( 0.708 12.287 5.255) 13.383 2.290 ( -0.356 4.845 -0.820) 4.927 2.468 ( -0.598 1.540 1.552) 2.267 2.508 ( -6.606 -0.501 4.392) 7.948 2.738 ( 2.004 -8.032 -0.300) 8.284 2.812 ( 1.236 -7.309 4.596) 8.721 3.047 ( 5.681 1.877 -4.262) 7.346 3.143 ( -4.171 2.269 1.920) 5.122 3.245 ( 5.309 -9.947 1.008) 11.320 3.295 ( 2.921 -2.544 -1.308) 4.088 3.469 ( -3.812 2.681 1.138) 4.798 3.633 ( -2.319 -10.442 0.607) 10.713 3.641 ( 0.209 2.582 -6.584) 7.075 3.769 ( -4.532 3.168 4.725) 7.273 3.919 ( 2.091 5.060 2.070) 5.853 4.043 ( 5.384 2.776 0.228) 6.062 4.336 ( 0.171 2.418 -0.255) 2.438 4.577 ( -2.518 2.450 3.287) 4.811 4.732 ( 1.368 4.566 9.001) 10.185 4.805 ( 3.243 -2.390 5.484) 6.805 5.059 ( 0.611 -1.508 2.626) 3.089 5.118 ( -1.434 -5.852 -2.014) 6.353 5.203 ( -1.018 6.442 4.515) 7.932 5.360 ( -0.813 -6.009 1.408) 6.225 5.677 ( 0.254 6.870 3.660) 7.789 5.744 ( -2.061 3.424 1.762) 4.367 5.932 ( 1.156 3.756 -2.869) 4.865 6.321 ( -0.223 -8.117 0.606) 8.142 6.553 ( 1.714 4.266 -3.877) 6.014 6.929 ( 2.011 -3.066 -11.054) 11.647 7.008 ( -3.161 1.457 -0.880) 3.590 7.117 ( 1.428 -2.401 3.206) 4.252 7.228 ( 0.472 1.750 -5.392) 5.689 7.378 ( -0.603 -0.223 -2.414) 2.498 7.563 ( -0.534 1.936 -3.440) 3.983 8.585 ( 1.324 -1.329 1.433) 2.360 8.693 ( -0.804 1.357 0.584) 1.682 8.910 ( -1.741 -4.094 1.135) 4.592 9.121 ( 2.169 1.801 -2.443) 3.731 9.450 ( 1.194 -0.211 0.866) 1.489 9.548 ( -1.255 1.493 -2.935) 3.524 10.754 ( 2.260 -1.195 1.569) 3.000 10.951 ( -5.152 -4.238 -5.697) 8.773 11.073 ( -0.545 -1.555 10.673) 10.799 11.202 ( 3.440 1.987 4.090) 5.702 11.309 ( -1.343 7.622 -0.071) 7.740 11.549 ( 2.166 2.345 0.962) 3.334 11.671 ( 1.582 -2.987 4.302) 5.471 11.857 ( 0.142 -0.363 -0.090) 0.400 12.111 ( -4.091 -4.820 3.195) 7.084 12.548 ( 0.158 -2.722 -7.748) 8.214 ======================= Grid point 92 (49/89) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.179 5.356 0.945) 5.442 1.695 ( -4.191 15.769 6.062) 17.406 1.892 ( 0.179 -2.441 4.160) 4.827 1.996 ( 0.605 0.980 4.006) 4.169 2.218 ( 0.841 2.786 -3.809) 4.794 2.386 ( -5.552 0.896 3.465) 6.606 2.527 ( -2.518 -5.272 1.874) 6.136 2.698 ( -1.266 5.172 -0.985) 5.415 2.997 ( 1.712 7.693 4.288) 8.972 3.030 ( 6.425 0.263 -3.090) 7.134 3.093 ( 1.913 -0.911 1.423) 2.553 3.351 ( 0.798 1.938 2.459) 3.231 3.386 ( -2.050 -2.012 0.899) 3.010 3.453 ( 1.954 -4.420 -1.433) 5.040 3.550 ( -7.233 2.947 1.641) 7.981 3.630 ( 0.046 -0.382 -0.917) 0.994 3.784 ( 0.729 -0.127 2.994) 3.084 3.883 ( -0.212 0.235 -0.474) 0.570 4.032 ( -0.292 0.984 0.976) 1.416 4.213 ( 0.569 8.533 0.208) 8.555 4.558 ( 1.809 -0.824 3.478) 4.006 4.696 ( 2.789 2.633 7.926) 8.805 4.969 ( 2.642 -9.308 5.339) 11.051 5.044 ( -2.611 0.822 -3.210) 4.219 5.133 ( -4.645 -5.861 3.067) 8.083 5.211 ( 2.855 4.300 3.553) 6.266 5.471 ( -3.276 -10.150 2.666) 10.994 5.544 ( 3.167 8.933 2.355) 9.766 5.702 ( -2.112 -2.130 0.000) 3.000 5.880 ( 1.220 3.998 -1.752) 4.532 6.424 ( -1.425 -4.792 -2.488) 5.584 6.510 ( 2.675 3.559 -0.049) 4.452 6.911 ( -1.426 2.775 -10.047) 10.521 7.009 ( 0.236 -1.470 -2.755) 3.132 7.175 ( 1.590 -1.621 3.599) 4.256 7.213 ( -0.416 0.429 -7.160) 7.185 7.328 ( -0.771 3.631 -0.436) 3.737 7.573 ( 1.300 -1.867 -3.445) 4.129 8.628 ( 0.046 -2.292 0.577) 2.364 8.662 ( -0.187 1.295 0.907) 1.592 8.960 ( -1.423 -4.352 -0.750) 4.640 9.106 ( 1.080 2.679 -2.379) 3.742 9.457 ( -1.892 -0.017 0.538) 1.967 9.527 ( 1.859 0.363 -1.037) 2.160 10.805 ( 2.704 0.694 2.500) 3.747 10.876 ( -5.422 0.215 -0.429) 5.443 11.118 ( -0.645 -0.434 3.756) 3.835 11.148 ( -0.426 7.791 1.415) 7.930 11.270 ( 4.349 -3.295 2.076) 5.838 11.537 ( 1.194 1.699 1.180) 2.388 11.723 ( 1.473 0.593 2.227) 2.735 11.861 ( -1.287 -2.091 0.163) 2.461 12.174 ( -1.552 -5.805 3.370) 6.889 12.562 ( -0.613 0.326 -7.278) 7.311 ======================= Grid point 96 (50/89) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -7.923 0.000 2.746) 8.385 1.794 ( 3.770 -0.000 5.122) 6.360 1.925 ( -0.924 0.000 -6.901) 6.962 2.242 ( -0.917 0.000 8.142) 8.194 2.291 ( -2.801 0.000 11.122) 11.469 2.440 ( -0.795 0.000 -1.343) 1.560 2.483 ( -2.299 0.000 1.345) 2.663 2.627 ( 2.833 -0.000 8.048) 8.532 2.697 ( -3.410 0.000 3.037) 4.566 3.015 ( 6.859 -0.000 -0.505) 6.878 3.108 ( 10.837 -0.000 -4.556) 11.755 3.148 ( -7.160 0.000 -5.159) 8.825 3.239 ( 1.896 -0.000 -3.032) 3.576 3.367 ( -1.964 0.000 2.053) 2.842 3.537 ( -1.696 0.000 5.192) 5.462 3.685 ( -0.799 0.000 -8.763) 8.799 3.816 ( -11.041 0.000 3.698) 11.644 4.020 ( 10.514 -0.000 1.647) 10.642 4.212 ( 0.827 -0.000 -3.194) 3.299 4.285 ( 7.579 -0.000 12.003) 14.196 4.495 ( -1.691 0.000 -0.523) 1.770 4.760 ( -2.130 0.000 4.092) 4.613 4.897 ( -0.449 0.000 2.120) 2.167 4.978 ( 1.211 -0.000 4.611) 4.768 5.076 ( -1.017 0.000 -1.947) 2.197 5.249 ( 0.079 -0.000 0.728) 0.733 5.547 ( -0.773 0.000 6.086) 6.135 5.715 ( -1.445 0.000 4.084) 4.332 5.931 ( 1.003 -0.000 3.121) 3.279 5.940 ( 0.807 -0.000 2.181) 2.325 6.105 ( 1.713 -0.000 -2.734) 3.226 6.695 ( 5.599 -0.000 -13.253) 14.388 6.764 ( -0.430 0.000 -1.631) 1.686 7.036 ( -4.571 0.000 1.666) 4.865 7.086 ( 0.468 -0.000 -3.542) 3.572 7.270 ( -1.114 0.000 -2.966) 3.168 7.350 ( 2.972 -0.000 -3.641) 4.700 7.626 ( -2.071 0.000 -2.321) 3.110 8.571 ( 1.965 -0.000 2.173) 2.930 8.737 ( -1.636 0.000 -0.418) 1.689 8.812 ( -0.868 0.000 4.691) 4.771 9.154 ( 2.289 -0.000 -1.779) 2.899 9.458 ( 0.537 -0.000 -0.334) 0.632 9.577 ( -0.586 0.000 -4.443) 4.481 10.734 ( -2.831 0.000 -0.111) 2.833 10.775 ( 1.259 -0.000 -2.663) 2.945 11.098 ( -2.862 0.000 9.961) 10.364 11.261 ( 4.500 -0.000 8.051) 9.223 11.480 ( -1.016 0.000 -1.868) 2.126 11.576 ( 1.773 -0.000 3.591) 4.004 11.592 ( -0.333 0.000 4.201) 4.214 11.829 ( 4.436 -0.000 3.594) 5.709 12.072 ( -7.723 0.000 -4.471) 8.923 12.438 ( -0.502 0.000 -6.209) 6.229 ======================= Grid point 97 (51/89) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -8.484 -2.220 3.850) 9.577 1.845 ( 2.690 -1.138 5.142) 5.914 1.889 ( -3.571 -1.186 -0.524) 3.799 2.230 ( 0.390 2.909 6.329) 6.976 2.262 ( -6.542 0.594 1.054) 6.653 2.331 ( -12.202 -2.869 4.252) 13.236 2.445 ( -0.060 3.126 -0.783) 3.223 2.674 ( -0.884 -2.513 0.562) 2.722 2.780 ( 9.708 -4.912 7.887) 13.438 3.036 ( -6.425 -2.829 -2.720) 7.528 3.162 ( 0.359 -4.666 -0.219) 4.685 3.222 ( 5.018 0.212 -1.921) 5.377 3.276 ( 1.786 -3.279 -0.765) 3.811 3.342 ( -8.957 -5.029 4.745) 11.315 3.511 ( -0.441 2.268 -1.578) 2.798 3.670 ( 1.892 -1.772 -5.390) 5.981 3.757 ( 0.312 0.464 -0.486) 0.740 3.978 ( -9.508 0.850 4.202) 10.429 4.131 ( -0.902 7.924 0.139) 7.977 4.395 ( 7.080 0.763 1.053) 7.199 4.605 ( 6.533 -1.149 2.990) 7.276 4.749 ( -0.366 -3.500 7.308) 8.112 4.870 ( -1.753 1.327 4.326) 4.853 4.972 ( 0.133 1.374 -1.080) 1.753 5.123 ( 5.266 -2.233 0.140) 5.721 5.270 ( -0.279 -0.009 1.783) 1.804 5.411 ( 1.436 10.528 7.433) 12.967 5.685 ( -1.531 2.116 2.800) 3.829 5.882 ( 1.737 6.477 3.212) 7.435 5.970 ( -0.455 0.369 -1.424) 1.540 6.186 ( -0.010 -7.651 -0.097) 7.651 6.651 ( 1.559 5.677 -4.753) 7.566 6.880 ( 2.942 -6.393 -8.947) 11.383 6.971 ( -4.527 0.445 -2.030) 4.981 7.092 ( -0.792 -1.356 -5.083) 5.320 7.252 ( -0.154 0.899 0.769) 1.193 7.391 ( 2.651 0.017 -2.348) 3.541 7.588 ( -0.808 1.889 -4.090) 4.577 8.598 ( 2.111 0.346 1.983) 2.918 8.710 ( -0.226 1.183 0.916) 1.513 8.831 ( -1.015 -3.229 2.690) 4.323 9.171 ( 1.806 1.144 -1.626) 2.686 9.462 ( 0.579 0.394 0.351) 0.784 9.560 ( -0.348 1.003 -3.959) 4.099 10.735 ( 0.004 -3.147 0.487) 3.184 10.815 ( -2.768 -4.317 -3.527) 6.224 11.044 ( -3.918 0.347 9.989) 10.735 11.303 ( 5.294 2.960 5.897) 8.459 11.414 ( -0.235 5.857 0.052) 5.862 11.596 ( 0.826 0.242 2.476) 2.621 11.631 ( 1.306 -3.632 5.188) 6.466 11.880 ( 1.086 1.940 -4.339) 4.876 11.988 ( -4.144 -3.204 3.348) 6.216 12.467 ( -1.757 -4.466 -6.366) 7.972 ======================= Grid point 98 (52/89) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -5.602 -4.443 2.136) 7.462 1.847 ( -0.086 4.307 3.629) 5.633 1.914 ( 2.268 -1.678 3.936) 4.843 2.072 ( -2.924 8.030 -1.770) 8.727 2.188 ( -6.012 -1.352 5.692) 8.389 2.264 ( -6.094 -1.449 4.362) 7.633 2.447 ( 0.584 -2.960 -2.365) 3.833 2.694 ( -1.961 -1.042 -2.119) 3.070 2.952 ( -4.249 -5.838 2.848) 7.762 3.043 ( 1.438 -7.732 4.065) 8.853 3.162 ( 0.894 4.070 1.089) 4.307 3.296 ( -6.563 -9.719 2.912) 12.083 3.336 ( -1.236 -3.128 -0.780) 3.453 3.389 ( 3.009 -3.375 2.469) 5.151 3.497 ( 2.168 0.417 -4.774) 5.259 3.683 ( 0.793 3.518 -2.971) 4.672 3.803 ( 2.112 0.026 4.524) 4.993 3.908 ( -4.620 -7.407 1.745) 8.902 3.954 ( -3.019 9.220 -0.077) 9.702 4.366 ( -0.787 7.316 -2.379) 7.733 4.620 ( 3.031 2.948 2.686) 5.009 4.806 ( 0.742 4.339 9.053) 10.066 4.878 ( 3.250 -5.434 3.205) 7.097 5.024 ( 0.795 -4.993 2.126) 5.485 5.084 ( -2.004 8.577 3.236) 9.383 5.290 ( 2.608 -4.994 2.566) 6.191 5.360 ( 3.365 5.164 4.420) 7.585 5.648 ( -0.639 -1.517 -0.042) 1.647 5.760 ( 1.613 10.631 2.377) 11.012 5.931 ( -1.251 2.357 -2.429) 3.608 6.308 ( -0.731 -7.143 -0.547) 7.201 6.585 ( 0.284 3.643 -1.882) 4.110 6.914 ( -2.202 0.431 -6.848) 7.206 6.983 ( 1.225 -2.274 -7.299) 7.742 7.120 ( -1.434 -3.917 -6.573) 7.784 7.234 ( 0.090 1.465 3.724) 4.002 7.400 ( 2.814 2.999 -1.106) 4.259 7.563 ( -0.255 -0.180 -5.043) 5.052 8.610 ( 0.455 0.164 -0.063) 0.488 8.692 ( 0.693 1.434 2.666) 3.105 8.888 ( 0.545 -3.735 0.117) 3.776 9.156 ( 0.371 2.381 -1.915) 3.078 9.449 ( -0.789 1.205 0.348) 1.482 9.552 ( 1.113 0.220 -1.746) 2.083 10.803 ( -4.964 -0.369 -2.308) 5.487 10.819 ( 2.516 -4.140 2.601) 5.499 11.048 ( -1.252 -4.975 6.619) 8.375 11.282 ( -0.455 7.955 2.801) 8.446 11.326 ( 4.501 2.544 0.944) 5.256 11.583 ( 0.012 2.230 1.344) 2.604 11.722 ( 1.121 -2.944 4.275) 5.310 11.799 ( -5.021 -0.302 -4.088) 6.482 12.084 ( 3.475 -5.443 4.759) 8.022 12.508 ( -2.646 -3.609 -5.977) 7.467 ======================= Grid point 103 (53/89) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -7.414 0.000 11.848) 13.977 1.683 ( -16.379 0.000 8.743) 18.566 1.879 ( 2.542 -0.000 5.722) 6.261 2.147 ( -11.430 0.000 -4.234) 12.189 2.271 ( 3.140 -0.000 6.859) 7.544 2.275 ( 1.872 -0.000 -0.836) 2.050 2.534 ( 2.695 -0.000 -4.828) 5.529 2.583 ( -5.956 0.000 1.000) 6.040 2.853 ( 5.915 -0.000 7.974) 9.928 2.888 ( -12.485 0.000 0.692) 12.504 2.949 ( -15.082 0.000 2.285) 15.254 3.194 ( -6.990 0.000 5.449) 8.863 3.298 ( 5.283 -0.000 2.691) 5.929 3.312 ( 4.507 -0.000 -4.840) 6.613 3.606 ( 5.967 -0.000 -1.775) 6.226 3.657 ( 4.247 -0.000 -2.561) 4.960 3.787 ( 1.605 -0.000 -3.931) 4.246 3.826 ( -10.196 0.000 4.102) 10.990 4.221 ( 0.071 -0.000 -2.103) 2.104 4.456 ( -0.485 0.000 -3.905) 3.935 4.665 ( -1.349 0.000 10.112) 10.201 4.704 ( 7.710 -0.000 7.285) 10.608 4.822 ( -4.482 0.000 -0.400) 4.500 5.050 ( -1.588 0.000 1.671) 2.305 5.167 ( 10.827 -0.000 -2.755) 11.172 5.290 ( 2.480 -0.000 1.232) 2.769 5.499 ( -1.819 0.000 7.205) 7.431 5.746 ( 2.176 -0.000 5.288) 5.718 5.951 ( 0.225 -0.000 2.013) 2.025 5.961 ( 0.407 -0.000 2.112) 2.151 6.095 ( -1.964 0.000 -2.356) 3.067 6.741 ( -1.138 0.000 -1.987) 2.290 6.838 ( 5.205 -0.000 -11.773) 12.872 6.916 ( -4.175 0.000 -5.391) 6.818 7.055 ( -2.454 0.000 -7.343) 7.742 7.261 ( 0.433 -0.000 5.789) 5.805 7.432 ( 3.584 -0.000 -2.946) 4.640 7.595 ( -0.643 0.000 -5.546) 5.583 8.641 ( 2.879 -0.000 2.822) 4.031 8.720 ( 0.498 -0.000 -0.551) 0.742 8.791 ( -0.217 0.000 4.824) 4.829 9.201 ( 1.145 -0.000 -1.019) 1.533 9.477 ( 0.885 -0.000 0.322) 0.942 9.564 ( -0.244 0.000 -4.224) 4.231 10.692 ( 0.118 -0.000 -1.074) 1.080 10.747 ( -2.962 0.000 -0.298) 2.977 10.981 ( -6.029 0.000 8.841) 10.701 11.415 ( 6.302 -0.000 6.304) 8.913 11.469 ( 0.561 -0.000 0.427) 0.706 11.592 ( 0.114 -0.000 2.385) 2.388 11.612 ( 0.435 -0.000 4.768) 4.788 11.844 ( -9.419 0.000 -10.575) 14.161 11.978 ( 6.206 -0.000 7.485) 9.723 12.398 ( -2.078 0.000 -4.169) 4.659 ======================= Grid point 104 (54/89) ======================= q-point: (-0.17 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -4.266 -3.125 14.202) 15.155 1.636 ( -13.219 -16.127 11.195) 23.668 1.902 ( 0.578 -0.199 5.033) 5.070 2.046 ( -5.254 -0.939 -5.927) 7.976 2.212 ( 1.237 6.217 2.472) 6.804 2.331 ( 3.284 3.266 0.906) 4.720 2.390 ( -7.569 1.027 -1.080) 7.714 2.645 ( -3.310 -2.743 -0.713) 4.358 2.694 ( -12.766 -7.290 10.962) 18.338 2.921 ( -2.248 -5.695 1.939) 6.422 2.958 ( -8.044 -11.978 -1.165) 14.475 3.194 ( 4.428 -1.587 5.737) 7.419 3.358 ( 2.284 -0.306 -4.360) 4.931 3.376 ( 5.091 -1.188 4.011) 6.589 3.620 ( 6.015 4.283 -1.291) 7.496 3.721 ( -2.596 2.131 0.976) 3.498 3.773 ( 1.179 -3.205 -6.830) 7.636 3.808 ( 1.049 -2.143 3.316) 4.085 4.111 ( -1.144 10.570 -0.570) 10.647 4.392 ( -6.132 1.415 -8.081) 10.242 4.671 ( -1.407 0.652 5.739) 5.945 4.773 ( -4.583 -2.226 1.837) 5.416 4.857 ( 6.393 -6.225 9.608) 13.112 4.990 ( -0.289 2.119 2.226) 3.087 5.246 ( 1.017 8.195 4.476) 9.393 5.311 ( 4.760 -0.814 -3.849) 6.175 5.490 ( 3.951 0.721 6.658) 7.776 5.668 ( -0.456 7.280 3.442) 8.065 5.907 ( -0.459 5.755 1.848) 6.062 5.935 ( -2.202 1.245 -1.521) 2.952 6.170 ( -0.536 -8.417 0.270) 8.438 6.660 ( -0.454 5.622 -2.563) 6.196 6.872 ( -2.986 -1.251 -10.274) 10.772 6.958 ( 3.190 -4.291 -8.597) 10.125 7.036 ( -2.502 -1.944 -5.826) 6.632 7.262 ( 0.666 1.102 7.231) 7.345 7.476 ( 3.479 0.205 -2.719) 4.420 7.559 ( -1.977 2.241 -6.499) 7.154 8.645 ( 1.444 2.325 0.872) 2.872 8.724 ( 0.987 1.103 2.764) 3.135 8.844 ( 2.471 -3.972 1.838) 5.026 9.193 ( -0.200 1.824 -1.158) 2.169 9.474 ( 0.524 1.630 0.276) 1.735 9.560 ( 0.069 0.070 -2.643) 2.645 10.729 ( -3.128 -2.046 -0.263) 3.747 10.761 ( 2.352 -5.492 -0.167) 5.977 10.935 ( -4.436 -4.124 7.538) 9.670 11.413 ( 1.531 6.578 3.695) 7.699 11.433 ( 1.512 5.082 1.332) 5.467 11.578 ( -3.570 -0.667 -1.271) 3.848 11.665 ( -3.104 -3.041 2.004) 4.786 11.735 ( -1.531 -0.974 -3.007) 3.512 12.095 ( 7.983 -2.960 5.799) 10.302 12.404 ( -2.591 -3.608 -2.950) 5.332 ======================= Grid point 110 (55/89) ======================= q-point: (-0.17 -0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 2.587 -0.000 22.864) 23.010 1.253 ( -14.982 0.000 20.276) 25.210 1.841 ( -15.487 0.000 3.549) 15.888 2.001 ( 0.654 -0.000 -7.066) 7.097 2.108 ( -16.328 0.000 17.715) 24.092 2.281 ( -2.292 0.000 -6.371) 6.770 2.463 ( -0.602 0.000 -3.221) 3.277 2.527 ( 2.009 -0.000 14.334) 14.474 2.624 ( 4.435 -0.000 -6.748) 8.075 2.809 ( -1.626 0.000 -3.387) 3.757 2.843 ( -0.970 0.000 1.378) 1.686 3.261 ( 7.836 -0.000 6.661) 10.284 3.388 ( 2.527 -0.000 -3.187) 4.067 3.435 ( 4.658 -0.000 4.054) 6.175 3.722 ( 0.812 -0.000 0.947) 1.248 3.747 ( 3.975 -0.000 -3.158) 5.076 3.756 ( -3.992 0.000 -5.169) 6.531 3.768 ( 1.258 -0.000 2.252) 2.579 4.223 ( 0.397 -0.000 -0.115) 0.413 4.272 ( -10.272 0.000 -10.988) 15.041 4.628 ( -2.399 0.000 9.332) 9.635 4.702 ( -4.241 0.000 0.265) 4.249 4.895 ( 7.420 -0.000 9.587) 12.123 5.019 ( -0.037 0.000 1.938) 1.938 5.312 ( -3.710 0.000 -7.205) 8.104 5.334 ( 0.589 -0.000 0.922) 1.094 5.507 ( 3.600 -0.000 4.815) 6.012 5.775 ( -0.680 0.000 7.908) 7.937 5.909 ( -3.394 0.000 -2.841) 4.426 5.965 ( 0.799 -0.000 3.401) 3.494 6.060 ( -0.399 0.000 1.411) 1.467 6.718 ( -0.342 0.000 -0.949) 1.009 6.802 ( -3.956 0.000 -18.735) 19.148 6.949 ( 2.565 -0.000 -3.698) 4.501 7.006 ( 0.033 -0.000 -4.121) 4.121 7.285 ( 1.042 -0.000 7.913) 7.981 7.464 ( -4.405 0.000 -9.240) 10.237 7.591 ( 2.336 -0.000 -2.626) 3.515 8.695 ( 0.930 -0.000 2.193) 2.381 8.755 ( 1.919 -0.000 -0.527) 1.990 8.839 ( 3.788 -0.000 5.526) 6.699 9.202 ( -0.995 0.000 -0.830) 1.296 9.496 ( 0.352 -0.000 0.588) 0.685 9.563 ( 0.280 -0.000 -3.268) 3.280 10.674 ( -1.875 0.000 2.041) 2.772 10.742 ( 3.453 -0.000 -1.182) 3.650 10.833 ( -4.971 0.000 7.042) 8.620 11.404 ( -13.496 0.000 -6.615) 15.030 11.518 ( -0.200 0.000 2.001) 2.011 11.548 ( 3.205 -0.000 3.875) 5.029 11.590 ( -1.924 0.000 3.720) 4.188 11.725 ( 2.682 -0.000 -3.217) 4.188 12.181 ( 9.523 -0.000 7.100) 11.878 12.351 ( -1.244 0.000 -0.039) 1.244 ======================= Grid point 111 (56/89) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -21.676 0.000 19.139) 28.916 1.507 ( 0.764 -0.000 17.778) 17.794 1.687 ( 8.038 -0.000 2.592) 8.446 1.948 ( 2.866 -0.000 -11.317) 11.674 2.033 ( 0.927 -0.000 -3.140) 3.274 2.152 ( -4.017 0.000 -0.302) 4.029 2.427 ( 1.086 -0.000 0.982) 1.464 2.600 ( 2.667 -0.000 -6.220) 6.768 2.763 ( 2.604 -0.000 0.112) 2.606 2.840 ( 0.998 -0.000 -2.831) 3.002 3.078 ( 6.462 -0.000 20.383) 21.383 3.433 ( 3.870 -0.000 -1.916) 4.318 3.462 ( -4.892 0.000 -2.043) 5.302 3.513 ( -4.951 0.000 -1.069) 5.065 3.569 ( 3.341 -0.000 1.955) 3.871 3.696 ( -5.171 0.000 0.985) 5.264 3.699 ( -3.286 0.000 -2.896) 4.380 3.806 ( 3.595 -0.000 -0.968) 3.723 4.008 ( 1.096 -0.000 4.925) 5.046 4.277 ( 0.865 -0.000 -0.814) 1.187 4.735 ( 2.451 -0.000 5.334) 5.870 4.756 ( 1.057 -0.000 6.554) 6.639 4.989 ( -3.173 0.000 -1.246) 3.409 5.071 ( 2.942 -0.000 -1.528) 3.315 5.080 ( -5.802 0.000 0.573) 5.830 5.261 ( -1.594 0.000 -6.203) 6.405 5.627 ( 2.446 -0.000 1.840) 3.061 5.734 ( -1.502 0.000 -5.121) 5.336 5.828 ( -2.988 0.000 4.788) 5.644 6.124 ( -0.744 0.000 4.363) 4.426 6.167 ( 0.521 -0.000 4.711) 4.740 6.271 ( -1.654 0.000 -20.172) 20.240 6.765 ( 2.402 -0.000 3.358) 4.129 6.980 ( 2.402 -0.000 -5.854) 6.327 7.016 ( 2.141 -0.000 2.734) 3.472 7.148 ( -4.967 0.000 -4.287) 6.561 7.435 ( -1.023 0.000 6.719) 6.797 7.639 ( 2.987 -0.000 -3.462) 4.573 8.711 ( -2.136 0.000 1.768) 2.773 8.778 ( 1.232 -0.000 -1.507) 1.947 8.997 ( 0.951 -0.000 4.387) 4.489 9.124 ( -2.373 0.000 -2.270) 3.284 9.485 ( -1.639 0.000 0.505) 1.715 9.532 ( 0.989 -0.000 -1.964) 2.199 10.686 ( -1.454 0.000 2.298) 2.719 10.768 ( 0.466 -0.000 -0.921) 1.033 10.944 ( 4.740 -0.000 4.702) 6.677 11.074 ( -2.501 0.000 -2.229) 3.350 11.585 ( -1.191 0.000 0.807) 1.439 11.600 ( 1.404 -0.000 1.685) 2.193 11.609 ( -4.515 0.000 4.979) 6.721 11.757 ( 3.885 -0.000 -3.202) 5.034 12.370 ( -0.161 0.000 1.375) 1.385 12.411 ( 2.696 -0.000 -1.028) 2.886 ======================= Grid point 112 (57/89) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -7.675 -9.195 17.686) 21.360 1.557 ( 1.748 -0.577 8.610) 8.804 1.853 ( 3.677 -2.504 -5.829) 7.332 1.985 ( 5.354 -8.153 2.616) 10.099 2.085 ( 0.465 0.912 1.078) 1.486 2.189 ( 2.040 -7.776 -1.037) 8.106 2.484 ( 1.533 -4.820 0.739) 5.111 2.670 ( -1.117 -4.432 -4.776) 6.611 2.817 ( 1.225 1.627 -0.991) 2.265 2.846 ( 5.125 -4.302 -0.726) 6.731 3.169 ( 2.656 -0.700 10.654) 11.002 3.322 ( -5.807 3.032 0.237) 6.555 3.403 ( -7.172 0.345 1.270) 7.291 3.479 ( 1.556 0.455 -1.480) 2.195 3.580 ( -4.170 2.301 1.831) 5.103 3.664 ( -1.013 -2.596 -2.549) 3.776 3.768 ( 5.503 -4.880 -2.984) 7.938 3.845 ( 0.298 -1.832 2.956) 3.490 4.012 ( 4.072 3.280 8.487) 9.969 4.257 ( 0.532 2.655 -1.806) 3.255 4.762 ( 1.507 0.799 5.940) 6.180 4.770 ( 1.503 -0.049 6.571) 6.741 4.949 ( -1.177 0.275 -1.823) 2.188 5.044 ( -2.101 -2.557 -0.736) 3.390 5.155 ( -0.048 -4.230 -2.296) 4.813 5.229 ( 0.604 1.084 -2.768) 3.033 5.630 ( -1.213 5.052 6.969) 8.693 5.718 ( 0.569 1.638 -3.796) 4.173 5.758 ( 0.317 1.900 0.875) 2.116 5.997 ( -2.364 9.476 1.905) 9.951 6.241 ( -0.551 -6.476 -0.366) 6.510 6.308 ( 0.038 -4.674 -12.572) 13.412 6.784 ( 1.144 0.497 2.756) 3.025 6.988 ( 0.443 1.121 -7.057) 7.159 7.078 ( 1.944 -2.771 1.728) 3.800 7.130 ( -0.605 -2.627 -2.614) 3.755 7.397 ( -1.739 2.369 5.670) 6.386 7.637 ( 1.756 3.593 -3.801) 5.517 8.671 ( -2.301 0.837 1.837) 3.061 8.757 ( 0.262 3.327 -0.103) 3.339 9.010 ( -0.383 -1.281 3.028) 3.310 9.066 ( -2.171 2.910 -2.099) 4.194 9.463 ( -1.826 0.120 0.495) 1.896 9.537 ( 1.194 0.548 -1.149) 1.745 10.701 ( -1.318 -3.737 1.549) 4.255 10.812 ( -0.437 -3.668 -2.297) 4.350 11.002 ( 4.322 0.522 4.532) 6.284 11.129 ( 5.785 -3.539 -0.933) 6.846 11.507 ( -2.330 3.825 3.617) 5.757 11.543 ( -0.597 2.438 0.396) 2.541 11.666 ( -0.103 -4.174 2.494) 4.863 11.826 ( 1.205 -2.788 -2.308) 3.815 12.346 ( -1.324 1.910 1.130) 2.584 12.425 ( -0.460 -0.379 -2.854) 2.916 ======================= Grid point 113 (58/89) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 3.848 -9.973 10.453) 14.951 1.544 ( -1.572 -0.482 1.158) 2.011 1.915 ( 3.636 -1.573 -4.756) 6.190 2.059 ( -0.778 0.290 5.197) 5.263 2.180 ( 5.152 -2.322 -0.433) 5.668 2.333 ( -0.638 -4.391 1.130) 4.579 2.579 ( -2.850 1.519 -3.790) 4.979 2.661 ( 0.904 -4.177 6.370) 7.671 2.907 ( 2.397 -8.725 0.317) 9.054 3.055 ( 9.018 -8.433 -2.158) 12.534 3.106 ( -3.072 4.986 0.941) 5.931 3.281 ( -4.897 -7.242 2.713) 9.153 3.352 ( -0.127 1.563 -2.655) 3.084 3.459 ( -7.649 0.409 1.851) 7.881 3.519 ( 1.118 0.418 1.391) 1.834 3.695 ( 0.088 -0.989 0.487) 1.106 3.833 ( -3.381 -1.625 1.776) 4.151 3.895 ( 4.104 1.019 -1.120) 4.375 4.053 ( 6.778 0.417 8.025) 10.512 4.227 ( 0.860 1.725 -3.427) 3.932 4.759 ( 1.004 2.684 7.660) 8.178 4.804 ( 1.366 -3.222 4.949) 6.062 4.932 ( -1.740 -0.874 0.771) 2.094 5.040 ( -0.840 3.506 -4.777) 5.985 5.202 ( -0.371 -6.244 4.695) 7.821 5.314 ( 1.871 -5.282 -1.255) 5.742 5.439 ( -3.952 7.925 8.364) 12.181 5.697 ( 2.587 3.093 -1.522) 4.310 5.744 ( -0.701 7.480 -0.698) 7.545 5.838 ( 0.149 2.009 0.778) 2.159 6.341 ( -0.277 -5.489 -2.492) 6.034 6.374 ( 0.182 -2.485 -9.502) 9.824 6.781 ( -0.267 0.232 0.911) 0.978 6.949 ( -0.897 2.965 -9.753) 10.233 7.121 ( -0.278 -1.869 0.802) 2.053 7.216 ( 3.244 -3.809 0.528) 5.031 7.334 ( -1.671 1.734 3.623) 4.350 7.578 ( 0.396 4.631 -3.968) 6.111 8.634 ( -2.158 0.402 1.256) 2.529 8.712 ( 0.979 2.055 1.159) 2.555 8.979 ( -1.559 2.756 -1.273) 3.413 9.043 ( -0.033 -1.558 0.217) 1.573 9.438 ( -1.310 0.185 0.617) 1.459 9.550 ( 1.258 0.010 -0.508) 1.357 10.736 ( -2.220 -2.169 -0.553) 3.152 10.863 ( 1.015 -2.743 -2.743) 4.010 11.084 ( 4.727 -3.286 5.653) 8.068 11.242 ( 4.460 -0.618 2.251) 5.034 11.431 ( 0.602 4.675 2.779) 5.472 11.498 ( -3.402 -0.338 -2.131) 4.029 11.720 ( -1.461 -2.928 1.529) 3.612 11.872 ( 1.537 -1.142 0.474) 1.973 12.282 ( -1.681 2.815 1.415) 3.570 12.424 ( -1.426 -1.101 -4.331) 4.691 ======================= Grid point 114 (59/89) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -0.047 1.892 4.588) 4.963 1.728 ( 4.978 -8.658 0.001) 9.987 1.941 ( -1.418 0.303 -5.855) 6.032 2.082 ( 3.311 0.867 5.036) 6.089 2.233 ( 1.851 -0.395 1.362) 2.332 2.293 ( -5.891 2.267 5.161) 8.153 2.491 ( 0.952 3.781 -4.070) 5.636 2.721 ( 0.269 -0.404 7.730) 7.745 2.984 ( -2.909 5.220 -0.350) 5.986 3.055 ( -0.476 -6.150 -1.331) 6.310 3.245 ( 2.940 -2.412 -2.096) 4.343 3.268 ( -5.731 3.761 0.298) 6.861 3.427 ( 5.442 -1.696 -4.025) 6.978 3.447 ( -2.401 1.493 4.957) 5.707 3.498 ( 4.252 -6.222 1.979) 7.792 3.668 ( 0.254 2.864 2.505) 3.813 3.794 ( -4.224 -1.305 -0.949) 4.522 3.918 ( -0.272 -1.368 1.640) 2.153 4.070 ( -0.037 6.671 2.714) 7.202 4.203 ( -0.898 1.249 -2.039) 2.554 4.724 ( 0.345 1.886 6.615) 6.887 4.846 ( -4.108 -1.200 -0.218) 4.285 4.940 ( 1.961 5.240 -0.799) 5.652 4.997 ( 0.840 -7.517 9.539) 12.174 5.237 ( -0.165 1.158 3.965) 4.133 5.351 ( 0.067 -3.366 4.107) 5.310 5.527 ( -0.072 -9.998 -0.230) 10.001 5.584 ( 1.623 3.432 1.447) 4.063 5.692 ( 3.013 2.813 -1.377) 4.346 5.851 ( -0.598 -1.058 -0.289) 1.249 6.370 ( -0.508 2.548 -5.632) 6.202 6.396 ( -0.958 -2.235 -5.596) 6.101 6.769 ( -1.136 1.143 -2.780) 3.213 6.889 ( 0.879 2.441 -8.775) 9.151 7.118 ( -0.434 1.989 2.112) 2.933 7.300 ( 0.334 -3.180 4.694) 5.680 7.342 ( 1.459 -3.408 -1.816) 4.128 7.501 ( -1.028 4.120 -4.337) 6.070 8.612 ( -0.391 -0.254 0.987) 1.092 8.716 ( 0.296 -0.862 1.073) 1.409 8.936 ( 0.837 1.715 -0.637) 2.012 9.070 ( -0.706 -2.193 -1.274) 2.632 9.431 ( -0.164 -0.513 0.529) 0.755 9.559 ( 0.347 0.273 -0.366) 0.573 10.725 ( -1.295 0.100 -1.372) 1.889 10.910 ( 1.635 0.091 -1.834) 2.459 11.204 ( 3.854 -1.169 5.662) 6.948 11.264 ( 0.132 -1.060 5.062) 5.173 11.356 ( -2.270 2.752 -1.481) 3.862 11.471 ( -3.423 -1.628 -2.065) 4.316 11.725 ( -1.102 -0.037 1.079) 1.543 11.899 ( 1.743 1.038 3.211) 3.798 12.240 ( 1.400 1.406 1.637) 2.573 12.415 ( -1.099 0.314 -4.367) 4.514 ======================= Grid point 115 (60/89) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 1.009 -0.045 7.100) 7.172 1.830 ( 1.190 2.224 -1.578) 2.976 1.901 ( -0.311 2.623 -8.384) 8.790 2.030 ( -6.397 4.009 4.956) 9.031 2.154 ( -4.778 2.522 6.362) 8.347 2.292 ( 1.920 -0.758 -1.334) 2.457 2.486 ( 4.948 3.492 1.042) 6.146 2.703 ( 1.015 3.467 5.616) 6.678 2.847 ( -3.797 5.105 1.727) 6.592 2.989 ( -8.910 6.685 -0.415) 11.147 3.149 ( -1.975 10.012 5.275) 11.488 3.279 ( 1.367 -1.826 -3.855) 4.479 3.326 ( 3.595 0.406 0.950) 3.741 3.536 ( 6.316 -1.038 0.293) 6.407 3.630 ( 3.189 1.333 2.279) 4.140 3.673 ( 1.838 -0.632 -2.253) 2.975 3.791 ( -6.490 1.265 3.315) 7.397 3.885 ( -2.604 0.457 -0.951) 2.809 3.959 ( 0.368 -1.812 4.208) 4.596 4.176 ( -2.240 -1.026 -1.594) 2.934 4.715 ( -0.033 0.109 4.532) 4.533 4.788 ( -3.988 -0.228 2.831) 4.896 4.941 ( 2.941 1.103 -2.112) 3.785 5.106 ( -0.815 -3.613 3.903) 5.381 5.249 ( -0.519 -1.928 -1.808) 2.694 5.299 ( -1.732 4.897 2.196) 5.640 5.627 ( -0.431 -6.299 5.312) 8.252 5.681 ( 3.426 1.176 2.730) 4.536 5.761 ( -1.047 -9.496 -1.783) 9.719 5.864 ( -0.806 -4.568 1.081) 4.763 6.298 ( 0.261 4.988 -3.637) 6.179 6.393 ( -1.409 0.679 -10.360) 10.478 6.718 ( -0.117 2.125 -2.899) 3.596 6.903 ( 3.367 0.200 -5.350) 6.325 7.065 ( -0.212 3.287 2.149) 3.933 7.348 ( -2.344 -2.196 1.313) 3.470 7.393 ( -2.078 0.423 -0.822) 2.275 7.461 ( 3.233 -2.441 -2.431) 4.724 8.638 ( 1.018 -2.213 1.211) 2.720 8.737 ( -0.564 -1.835 0.403) 1.962 8.939 ( 2.743 0.906 0.344) 2.909 9.099 ( -1.404 -2.962 -2.031) 3.856 9.452 ( 1.016 -1.331 0.048) 1.675 9.547 ( -0.850 0.723 -0.393) 1.183 10.712 ( 0.174 0.419 -0.268) 0.527 10.888 ( 2.356 5.315 -2.215) 6.221 11.115 ( -3.039 7.414 4.710) 9.295 11.272 ( -9.219 -0.552 -2.799) 9.651 11.388 ( 2.261 -7.714 4.507) 9.216 11.480 ( 0.658 -1.953 0.042) 2.061 11.699 ( -0.118 2.195 1.482) 2.651 11.879 ( 0.847 3.448 2.153) 4.152 12.274 ( 4.675 -0.310 1.520) 4.926 12.386 ( -0.176 1.701 -2.052) 2.671 ======================= Grid point 116 (61/89) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.934 -1.689 11.393) 11.555 1.691 ( -5.308 7.874 12.640) 15.809 1.800 ( -11.387 9.846 3.906) 15.552 1.887 ( 5.641 2.267 -11.563) 13.064 2.081 ( -4.592 0.072 -1.823) 4.941 2.253 ( -4.465 3.968 -0.268) 5.980 2.444 ( 1.915 3.982 4.451) 6.272 2.639 ( 3.124 8.370 -4.886) 10.183 2.761 ( 0.939 3.003 -0.211) 3.153 2.823 ( -3.069 -0.786 1.948) 3.719 3.034 ( 4.966 4.956 16.076) 17.540 3.347 ( 2.258 -3.450 -2.979) 5.087 3.411 ( 3.603 -2.681 0.774) 4.557 3.576 ( 3.863 4.429 2.774) 6.499 3.610 ( -4.449 0.118 -3.394) 5.597 3.698 ( -4.230 -2.335 1.480) 5.054 3.729 ( 6.019 -0.135 -4.519) 7.528 3.831 ( -4.884 2.950 1.377) 5.870 3.995 ( -2.113 -2.492 1.642) 3.657 4.223 ( 1.840 -3.789 0.651) 4.262 4.716 ( 1.186 0.538 4.049) 4.253 4.753 ( -1.748 -0.059 6.495) 6.726 4.966 ( 0.092 -2.266 -1.601) 2.776 5.099 ( 0.022 2.804 1.067) 3.000 5.192 ( -4.739 3.206 -0.888) 5.790 5.270 ( -2.174 -1.821 -5.313) 6.023 5.620 ( 1.277 2.209 1.299) 2.863 5.754 ( -2.918 -2.129 -3.177) 4.810 5.807 ( -3.216 -5.883 5.157) 8.459 6.017 ( 1.130 -8.761 5.535) 10.424 6.225 ( 1.551 5.379 -0.557) 5.626 6.335 ( -2.028 2.922 -17.095) 17.461 6.724 ( 2.449 -0.527 1.967) 3.185 6.943 ( 3.511 0.278 -4.921) 6.051 7.020 ( 0.788 2.387 2.261) 3.381 7.250 ( -6.360 2.792 -5.934) 9.135 7.420 ( -0.252 -2.371 7.009) 7.403 7.566 ( 3.631 -3.376 -2.768) 5.678 8.697 ( 0.451 -2.999 1.504) 3.385 8.756 ( -0.240 -1.103 -0.548) 1.255 8.971 ( 3.064 0.136 2.323) 3.847 9.127 ( -1.956 -2.756 -2.317) 4.098 9.491 ( 0.961 -1.135 -0.343) 1.526 9.522 ( -0.997 0.291 -0.821) 1.324 10.710 ( 0.202 0.851 1.566) 1.794 10.814 ( 2.165 6.334 -3.154) 7.400 10.962 ( -1.933 5.347 5.911) 8.201 11.151 ( -8.634 0.126 -2.409) 8.965 11.535 ( 0.820 -2.992 1.084) 3.287 11.540 ( 0.212 -8.062 2.882) 8.564 11.654 ( 0.681 3.512 2.387) 4.301 11.805 ( 0.474 6.274 -1.068) 6.382 12.346 ( 3.537 -1.139 1.017) 3.853 12.373 ( 1.939 0.839 0.504) 2.172 ======================= Grid point 118 (62/89) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 8.779 -0.000 15.384) 17.712 1.628 ( 5.728 -0.000 3.782) 6.864 1.914 ( 8.246 -0.000 -1.803) 8.441 1.949 ( 5.744 -0.000 4.315) 7.184 2.052 ( -3.116 0.000 5.752) 6.542 2.217 ( 7.012 -0.000 -1.742) 7.225 2.482 ( 3.995 -0.000 -2.263) 4.591 2.621 ( -0.677 0.000 -5.321) 5.364 2.827 ( -1.939 0.000 -2.251) 2.971 2.875 ( 5.816 -0.000 1.770) 6.079 3.181 ( -1.027 0.000 6.724) 6.802 3.218 ( -10.909 0.000 2.958) 11.303 3.339 ( -1.603 0.000 2.010) 2.571 3.523 ( -0.691 0.000 0.648) 0.948 3.552 ( -3.022 0.000 -1.472) 3.362 3.582 ( -6.149 0.000 -4.085) 7.382 3.815 ( -1.621 0.000 8.112) 8.272 3.844 ( 12.175 -0.000 -1.979) 12.335 4.109 ( 5.562 -0.000 7.701) 9.499 4.279 ( -0.240 0.000 -3.277) 3.286 4.779 ( 0.496 -0.000 3.882) 3.913 4.791 ( 0.876 -0.000 3.821) 3.920 4.885 ( -6.741 0.000 -2.411) 7.159 5.029 ( 3.362 -0.000 6.320) 7.159 5.137 ( 1.012 -0.000 -5.973) 6.058 5.255 ( 1.074 -0.000 -0.667) 1.265 5.689 ( 1.688 -0.000 7.040) 7.239 5.748 ( 2.463 -0.000 -5.229) 5.780 5.787 ( -0.061 0.000 1.193) 1.194 6.085 ( -1.603 0.000 2.387) 2.876 6.117 ( -3.815 0.000 2.690) 4.668 6.262 ( 1.437 -0.000 -12.003) 12.088 6.792 ( -0.649 0.000 1.738) 1.855 6.996 ( -0.563 0.000 -9.131) 9.149 7.091 ( 2.802 -0.000 2.921) 4.048 7.112 ( 1.963 -0.000 -3.330) 3.866 7.392 ( -2.411 0.000 5.415) 5.928 7.681 ( 0.179 -0.000 -4.447) 4.450 8.644 ( -2.828 0.000 2.168) 3.563 8.792 ( -0.085 0.000 -1.176) 1.179 8.980 ( -1.624 0.000 6.845) 7.036 9.064 ( -1.821 0.000 -2.762) 3.308 9.450 ( -0.765 0.000 0.406) 0.866 9.546 ( 0.050 -0.000 -1.824) 1.825 10.654 ( -0.499 0.000 0.978) 1.098 10.787 ( 1.165 -0.000 0.084) 1.168 11.117 ( 7.270 -0.000 5.642) 9.202 11.161 ( 7.412 -0.000 -4.493) 8.667 11.474 ( -5.676 0.000 4.642) 7.333 11.567 ( -0.067 0.000 1.536) 1.538 11.639 ( 1.360 -0.000 1.564) 2.073 11.815 ( 0.592 -0.000 -1.318) 1.445 12.348 ( -1.192 0.000 -1.165) 1.667 12.387 ( -4.192 0.000 -2.475) 4.868 ======================= Grid point 119 (63/89) ======================= q-point: ( 0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 14.102 -5.435 9.122) 17.653 1.629 ( 3.888 5.573 -1.080) 6.880 1.933 ( -0.591 0.069 -2.413) 2.485 2.069 ( 6.147 -0.737 6.417) 8.917 2.213 ( 8.932 -6.308 1.957) 11.109 2.295 ( 3.988 -1.225 2.288) 4.758 2.559 ( 3.504 -2.119 -2.834) 4.980 2.634 ( 1.259 -2.350 0.099) 2.668 2.819 ( -0.025 -3.040 0.571) 3.093 3.000 ( 3.482 -6.150 4.550) 8.406 3.112 ( -6.554 -0.939 2.624) 7.123 3.138 ( -2.840 -1.584 -0.655) 3.317 3.370 ( -0.513 0.631 -0.814) 1.151 3.401 ( -2.471 2.539 0.336) 3.559 3.529 ( -0.336 -0.237 -2.612) 2.644 3.596 ( -4.219 -6.099 -2.588) 7.854 3.789 ( -2.931 0.585 7.688) 8.249 3.981 ( 6.837 1.202 -0.742) 6.982 4.161 ( 5.140 2.481 7.980) 9.811 4.269 ( 1.144 0.687 -3.097) 3.372 4.767 ( -0.581 0.491 3.016) 3.111 4.792 ( -1.685 -0.890 -1.134) 2.217 4.868 ( -1.330 -4.202 6.263) 7.658 5.070 ( 0.937 1.329 -3.477) 3.839 5.137 ( -0.755 -1.205 4.378) 4.604 5.273 ( 1.475 -1.239 -0.311) 1.951 5.590 ( -1.702 11.530 9.820) 15.240 5.763 ( 2.536 1.942 -3.222) 4.537 5.806 ( 2.546 -0.592 -2.009) 3.297 5.942 ( -1.451 8.905 3.574) 9.704 6.203 ( -1.681 -8.581 -0.693) 8.771 6.334 ( 2.402 -4.096 -7.954) 9.264 6.775 ( -1.321 0.179 -0.057) 1.335 6.969 ( -1.667 1.314 -11.834) 12.023 7.112 ( 2.028 -0.137 1.362) 2.446 7.190 ( 2.601 -3.635 -0.607) 4.511 7.342 ( -2.363 1.892 4.326) 5.279 7.642 ( -1.371 3.375 -4.388) 5.703 8.611 ( -1.870 0.076 2.367) 3.018 8.760 ( -0.273 2.599 0.192) 2.620 8.978 ( -1.452 -1.068 3.895) 4.292 9.034 ( -0.173 1.124 -2.100) 2.388 9.437 ( -0.197 0.673 0.526) 0.877 9.549 ( -0.327 -0.587 -1.658) 1.789 10.681 ( 0.263 -2.596 0.162) 2.614 10.822 ( 0.797 -2.571 -1.573) 3.118 11.164 ( 6.850 2.331 5.544) 9.115 11.294 ( 5.669 -1.386 0.190) 5.839 11.413 ( -4.670 -0.937 1.991) 5.163 11.527 ( 0.080 4.703 1.106) 4.832 11.670 ( 0.213 -1.986 1.666) 2.601 11.847 ( 0.306 -3.141 0.488) 3.194 12.289 ( -3.676 1.939 -0.571) 4.195 12.368 ( -2.161 -2.408 -4.127) 5.245 ======================= Grid point 120 (64/89) ======================= q-point: ( 0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 1.377 3.776 4.210) 5.820 1.727 ( 10.800 -4.617 -0.450) 11.754 1.913 ( -2.173 -0.484 -1.824) 2.878 2.173 ( 6.166 2.932 1.700) 7.036 2.281 ( 3.977 1.085 -0.618) 4.168 2.310 ( 0.742 3.969 6.863) 7.963 2.574 ( 3.726 1.771 -5.956) 7.245 2.728 ( 2.323 -0.510 9.039) 9.346 2.938 ( -0.286 -6.417 -0.994) 6.500 3.010 ( -3.716 2.006 1.512) 4.486 3.178 ( -3.843 -8.963 1.540) 9.873 3.236 ( 1.456 -6.472 1.892) 6.898 3.264 ( -2.338 -4.068 0.994) 4.796 3.487 ( 5.795 -1.261 -4.132) 7.228 3.541 ( 4.577 0.229 -2.097) 5.040 3.652 ( -3.457 -5.502 -0.707) 6.537 3.727 ( -1.887 1.321 3.644) 4.311 3.951 ( -0.063 5.994 0.458) 6.012 4.129 ( -3.378 3.153 5.160) 6.927 4.278 ( 1.889 2.624 -4.414) 5.471 4.764 ( -0.906 1.755 2.480) 3.171 4.785 ( -1.056 -0.522 1.151) 1.647 4.921 ( 0.627 -2.525 12.342) 12.613 5.026 ( 0.406 2.413 0.485) 2.494 5.193 ( -0.077 -5.683 2.655) 6.273 5.352 ( 0.720 -6.096 -1.456) 6.309 5.377 ( -2.182 7.383 7.911) 11.038 5.728 ( 0.846 7.882 0.349) 7.935 5.800 ( 3.661 4.762 -1.896) 6.299 5.836 ( -1.240 0.533 1.865) 2.302 6.305 ( -1.220 -5.261 -6.339) 8.327 6.409 ( 2.200 -0.932 -2.608) 3.537 6.763 ( -0.774 -0.284 -3.517) 3.613 6.920 ( -1.033 1.294 -11.136) 11.258 7.147 ( 2.160 0.120 2.021) 2.960 7.244 ( -2.176 -1.593 3.529) 4.441 7.320 ( 1.375 -1.677 -0.576) 2.244 7.550 ( -2.349 4.264 -4.050) 6.333 8.602 ( -0.050 -0.554 2.183) 2.253 8.720 ( -0.594 1.482 0.413) 1.649 8.971 ( 0.379 0.406 0.260) 0.613 9.032 ( -0.164 -0.568 -0.795) 0.991 9.432 ( 0.730 0.153 0.766) 1.069 9.550 ( -1.208 -0.489 -1.250) 1.806 10.720 ( 0.926 -0.961 -0.074) 1.336 10.890 ( 1.023 -3.854 -3.443) 5.268 11.226 ( 3.866 -0.954 7.936) 8.879 11.304 ( -0.322 3.015 4.753) 5.638 11.342 ( -5.055 3.745 -2.934) 6.941 11.476 ( 2.531 2.250 0.001) 3.387 11.705 ( 0.205 -1.747 1.750) 2.481 11.899 ( -0.324 -2.116 1.691) 2.728 12.241 ( -1.875 -1.130 1.456) 2.630 12.392 ( -0.047 -1.952 -5.723) 6.047 ======================= Grid point 121 (65/89) ======================= q-point: (-0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.634 2.203 5.340) 5.811 1.864 ( -0.343 -2.129 -8.809) 9.069 1.926 ( 4.794 -0.073 0.172) 4.797 2.050 ( -6.401 9.313 6.328) 12.952 2.203 ( -0.406 5.978 5.447) 8.098 2.363 ( 5.848 2.448 -1.491) 6.513 2.639 ( 10.027 2.173 -3.677) 10.899 2.727 ( -2.082 -0.729 9.539) 9.790 2.863 ( -5.986 4.586 1.487) 7.686 3.001 ( -1.039 1.586 -2.338) 3.010 3.204 ( -1.589 0.525 1.673) 2.367 3.247 ( 1.480 -1.980 -2.796) 3.732 3.426 ( 1.210 1.767 1.836) 2.821 3.500 ( -1.178 -4.867 0.734) 5.061 3.592 ( -3.426 -4.243 3.051) 6.249 3.724 ( 0.842 -0.403 -0.614) 1.118 3.776 ( 9.405 -0.188 -0.807) 9.441 3.841 ( -3.694 2.664 -1.785) 4.892 4.016 ( -2.828 2.998 4.185) 5.874 4.196 ( -0.270 6.375 -1.055) 6.467 4.699 ( -2.893 0.055 6.913) 7.494 4.773 ( 1.698 2.106 4.432) 5.192 4.999 ( -1.517 -6.139 3.538) 7.246 5.010 ( 1.677 2.701 -1.486) 3.509 5.227 ( 0.250 0.987 3.720) 3.857 5.324 ( -1.944 -2.410 4.493) 5.457 5.533 ( 0.555 -10.557 1.065) 10.626 5.608 ( -0.529 2.699 2.208) 3.527 5.772 ( 0.132 3.987 -2.571) 4.745 5.806 ( -0.957 -0.358 0.387) 1.093 6.337 ( -0.197 -0.335 -9.252) 9.260 6.423 ( 1.781 2.037 -1.014) 2.889 6.748 ( 0.142 1.160 -4.613) 4.759 6.921 ( 0.891 -1.374 -6.875) 7.067 7.135 ( 1.873 3.675 1.975) 4.573 7.260 ( -2.935 -3.731 2.551) 5.389 7.368 ( -0.752 -0.907 -0.583) 1.314 7.472 ( 0.201 0.811 -3.690) 3.783 8.627 ( 1.408 -1.211 1.630) 2.471 8.698 ( -1.496 -0.571 0.129) 1.606 8.984 ( 1.815 -0.173 -0.325) 1.852 9.037 ( -1.191 -1.081 -1.271) 2.050 9.454 ( 1.884 -0.755 0.602) 2.117 9.530 ( -2.307 0.043 -0.683) 2.406 10.743 ( 2.668 0.655 0.253) 2.759 10.938 ( -1.296 -0.970 -4.428) 4.715 11.184 ( -4.523 4.543 -0.795) 6.460 11.217 ( -2.441 5.040 2.939) 6.325 11.320 ( 2.575 -3.278 8.121) 9.128 11.486 ( 2.043 0.333 -0.711) 2.188 11.728 ( 1.145 0.248 2.134) 2.434 11.904 ( -1.277 -0.112 0.607) 1.418 12.273 ( -0.129 -3.319 2.568) 4.199 12.415 ( 1.409 0.348 -5.145) 5.346 ======================= Grid point 122 (66/89) ======================= q-point: (-0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -1.665 1.898 8.626) 8.988 1.718 ( -11.698 11.956 10.936) 19.985 1.864 ( -0.231 0.642 -8.914) 8.940 2.001 ( 6.395 2.585 -4.014) 7.981 2.107 ( -0.635 4.526 6.230) 7.726 2.330 ( 0.825 7.003 -2.830) 7.598 2.602 ( 1.484 11.105 5.926) 12.675 2.733 ( -4.540 -4.038 3.065) 6.805 2.797 ( 5.816 4.268 -2.921) 7.783 2.888 ( 2.023 8.626 -2.351) 9.167 3.150 ( 0.126 1.498 6.656) 6.823 3.304 ( 1.638 -1.020 -1.860) 2.680 3.443 ( 4.060 -0.034 0.639) 4.110 3.488 ( -7.734 -1.666 0.058) 7.912 3.602 ( -3.373 -0.681 1.142) 3.625 3.722 ( 1.207 1.189 2.779) 3.255 3.794 ( 0.554 1.888 -6.047) 6.359 3.823 ( 1.864 0.369 -1.382) 2.350 3.969 ( 0.236 1.879 9.287) 9.479 4.185 ( 2.546 -2.712 0.540) 3.759 4.712 ( 0.165 -2.611 8.104) 8.516 4.768 ( 2.096 1.858 6.229) 6.830 4.961 ( -0.877 1.540 -3.091) 3.563 5.071 ( -1.484 -3.279 -3.214) 4.826 5.212 ( -1.275 0.895 0.211) 1.572 5.280 ( 0.498 6.308 -0.271) 6.333 5.575 ( -4.916 -5.821 8.017) 11.060 5.689 ( -2.126 -3.083 -0.279) 3.755 5.735 ( 1.224 -0.399 -1.675) 2.113 5.855 ( -0.802 -8.373 0.667) 8.438 6.318 ( 1.297 3.456 -6.281) 7.286 6.384 ( 0.180 3.983 -7.349) 8.361 6.753 ( 2.221 -0.023 0.926) 2.406 6.958 ( 0.764 -1.599 -6.161) 6.411 7.103 ( 2.892 3.841 1.810) 5.137 7.218 ( -5.192 2.261 -3.283) 6.546 7.367 ( -0.998 -2.531 5.159) 5.832 7.539 ( 2.589 -4.283 -3.355) 6.025 8.667 ( 0.764 -1.141 1.576) 2.091 8.705 ( -1.517 -3.028 0.101) 3.389 9.013 ( 2.393 0.460 -0.197) 2.445 9.042 ( -2.737 -2.945 -1.311) 4.228 9.494 ( -1.837 0.429 -0.039) 1.887 9.499 ( 1.438 -1.296 -0.012) 1.936 10.759 ( 2.520 2.542 0.979) 3.711 10.883 ( -3.980 1.705 -5.040) 6.644 11.051 ( -1.350 7.334 4.430) 8.674 11.130 ( 1.594 3.158 0.313) 3.551 11.424 ( 0.369 -6.266 4.989) 8.018 11.513 ( 1.060 -1.064 -0.291) 1.530 11.721 ( 1.366 2.789 3.252) 4.496 11.873 ( -1.029 2.120 -2.328) 3.313 12.321 ( -0.956 -2.900 2.333) 3.843 12.422 ( 1.970 0.969 -3.368) 4.020 ======================= Grid point 125 (67/89) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 10.573 -0.000 6.599) 12.463 1.731 ( 3.121 -0.000 -5.565) 6.381 1.893 ( -2.794 0.000 4.886) 5.629 2.241 ( 11.254 -0.000 1.112) 11.309 2.259 ( 13.721 -0.000 6.302) 15.099 2.352 ( 4.913 -0.000 2.135) 5.357 2.588 ( -1.644 0.000 -2.024) 2.607 2.633 ( 7.842 -0.000 -0.258) 7.846 2.806 ( 1.401 -0.000 0.650) 1.545 2.976 ( -0.463 0.000 8.283) 8.296 3.005 ( -6.989 0.000 5.440) 8.857 3.084 ( -1.980 0.000 -3.434) 3.963 3.336 ( -8.232 0.000 -3.210) 8.835 3.414 ( -3.776 0.000 1.241) 3.974 3.524 ( -0.791 0.000 -7.068) 7.112 3.524 ( 11.528 -0.000 -3.607) 12.079 3.765 ( -2.301 0.000 8.381) 8.691 4.077 ( 4.639 -0.000 -0.818) 4.711 4.243 ( -5.507 0.000 2.252) 5.950 4.253 ( 3.270 -0.000 0.852) 3.379 4.723 ( -3.509 0.000 6.418) 7.315 4.799 ( 2.038 -0.000 -4.700) 5.123 4.823 ( 2.286 -0.000 6.034) 6.453 5.100 ( -3.135 0.000 -3.676) 4.831 5.110 ( 0.816 -0.000 6.574) 6.624 5.273 ( -0.352 0.000 0.373) 0.513 5.704 ( -0.218 0.000 10.401) 10.403 5.812 ( 1.141 -0.000 1.930) 2.242 5.831 ( 3.813 -0.000 -5.362) 6.580 6.022 ( -2.989 0.000 4.201) 5.156 6.077 ( 0.866 -0.000 1.865) 2.056 6.337 ( 4.640 -0.000 -8.359) 9.560 6.755 ( -1.751 0.000 -1.145) 2.092 6.943 ( -3.347 0.000 -14.434) 14.817 7.144 ( 0.904 -0.000 4.383) 4.476 7.189 ( 3.489 -0.000 -4.167) 5.435 7.331 ( -1.927 0.000 4.841) 5.210 7.642 ( -2.892 0.000 -4.706) 5.524 8.595 ( -0.590 0.000 2.847) 2.908 8.771 ( -1.528 0.000 -0.918) 1.783 8.948 ( -1.090 0.000 7.090) 7.174 9.050 ( 1.014 -0.000 -3.548) 3.690 9.445 ( 0.244 -0.000 0.267) 0.362 9.534 ( -0.869 0.000 -2.289) 2.448 10.675 ( 2.067 -0.000 -1.020) 2.305 10.796 ( -1.166 0.000 -0.433) 1.244 11.267 ( 3.418 -0.000 8.253) 8.933 11.353 ( 6.406 -0.000 -5.195) 8.248 11.370 ( -1.604 0.000 6.597) 6.789 11.587 ( 1.679 -0.000 2.648) 3.136 11.652 ( -0.594 0.000 0.755) 0.961 11.808 ( -0.409 0.000 -0.063) 0.414 12.236 ( -6.737 0.000 -0.245) 6.742 12.324 ( -0.499 0.000 -5.271) 5.295 ======================= Grid point 126 (68/89) ======================= q-point: ( 0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -0.822 2.840 3.636) 4.686 1.778 ( 3.518 -1.411 -5.124) 6.374 1.901 ( 2.578 -0.440 7.298) 7.753 2.299 ( 1.339 4.491 -2.940) 5.532 2.351 ( 3.566 1.046 2.423) 4.436 2.451 ( 9.390 4.127 5.040) 11.428 2.591 ( 1.320 -4.414 1.525) 4.853 2.769 ( 0.437 2.187 7.163) 7.502 2.852 ( 0.977 -7.274 1.178) 7.433 2.948 ( -2.863 -1.939 3.046) 4.608 2.993 ( 2.483 -4.841 1.804) 5.732 3.136 ( 1.563 -5.481 -3.166) 6.519 3.225 ( -5.487 -0.642 -1.291) 5.674 3.441 ( -3.357 -6.955 -3.101) 8.322 3.522 ( 2.114 0.173 -4.936) 5.372 3.648 ( 0.012 2.244 1.354) 2.621 3.795 ( 13.542 -0.331 1.457) 13.624 4.063 ( -1.457 3.978 0.405) 4.255 4.091 ( -9.659 4.507 4.285) 11.488 4.272 ( -2.338 -1.515 -7.222) 7.741 4.732 ( -1.400 -1.705 7.181) 7.512 4.822 ( 4.639 -0.077 1.564) 4.896 4.916 ( 2.923 -2.788 6.357) 7.531 5.027 ( -2.591 1.384 -3.285) 4.407 5.118 ( -1.790 -1.666 5.703) 6.205 5.279 ( -0.663 -2.410 -0.822) 2.631 5.570 ( 0.773 13.575 12.836) 18.699 5.810 ( -0.571 0.793 2.659) 2.833 5.860 ( 2.465 2.502 -2.857) 4.528 5.927 ( 0.191 6.704 2.494) 7.155 6.187 ( 0.384 -7.840 -0.511) 7.866 6.419 ( 4.221 -1.739 -6.852) 8.233 6.742 ( -0.888 -0.898 -3.851) 4.053 6.891 ( -4.106 -0.396 -14.518) 15.093 7.155 ( -0.430 -1.395 4.261) 4.504 7.229 ( 1.805 0.839 -1.775) 2.667 7.319 ( 1.013 -0.379 2.939) 3.132 7.573 ( -3.363 2.888 -4.487) 6.308 8.601 ( 1.113 -0.268 3.075) 3.281 8.735 ( -1.544 1.479 -0.537) 2.204 8.946 ( -1.481 -1.168 5.012) 5.355 9.061 ( 2.212 1.101 -3.453) 4.246 9.448 ( 0.901 0.222 0.540) 1.074 9.524 ( -1.298 -0.289 -2.225) 2.592 10.716 ( 2.100 -1.380 -0.411) 2.546 10.812 ( -2.008 -4.421 -2.156) 5.312 11.272 ( 0.428 1.885 7.715) 7.954 11.333 ( -0.552 3.859 4.304) 5.807 11.402 ( 2.922 2.176 -0.215) 3.650 11.564 ( 2.262 3.999 0.005) 4.595 11.675 ( 0.600 -2.512 2.148) 3.359 11.839 ( -1.019 -3.173 -0.414) 3.359 12.168 ( -4.725 -1.907 2.642) 5.740 12.348 ( 0.122 -3.078 -6.800) 7.465 ======================= Grid point 127 (69/89) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -1.891 2.401 4.468) 5.413 1.825 ( 0.413 -1.091 -7.068) 7.164 1.961 ( 3.523 -1.598 6.282) 7.378 2.157 ( -4.458 10.009 0.319) 10.961 2.299 ( -0.984 5.459 4.370) 7.062 2.468 ( 1.857 1.495 -0.960) 2.570 2.643 ( -9.477 1.139 6.615) 11.613 2.741 ( 4.367 -3.300 1.042) 5.572 2.884 ( 2.804 0.928 1.552) 3.337 2.998 ( 2.934 -2.250 -0.238) 3.705 3.155 ( -2.902 -3.129 -0.209) 4.273 3.250 ( 4.739 -3.355 -2.481) 6.314 3.296 ( 3.986 -11.183 3.532) 12.386 3.471 ( -2.953 -1.344 -3.426) 4.718 3.541 ( -4.264 2.406 -0.845) 4.968 3.630 ( 1.221 -8.425 -1.358) 8.621 3.869 ( -7.569 3.958 4.792) 9.794 3.931 ( 2.087 7.040 1.649) 7.525 4.038 ( 8.445 0.272 -0.519) 8.465 4.247 ( -2.113 1.155 -7.617) 7.988 4.695 ( -2.407 1.719 7.982) 8.512 4.885 ( 4.956 4.620 4.859) 8.338 4.897 ( -2.927 -2.381 2.105) 4.320 5.050 ( 0.822 -0.403 -3.897) 4.003 5.161 ( -1.931 -6.315 6.760) 9.450 5.359 ( 0.226 -5.904 -1.898) 6.206 5.386 ( 3.589 8.274 15.815) 18.206 5.752 ( -2.888 6.637 3.575) 8.073 5.767 ( -0.544 5.950 0.566) 6.001 5.865 ( 1.613 2.933 -4.133) 5.318 6.295 ( 0.378 -4.610 -2.927) 5.473 6.467 ( 1.691 0.633 -5.909) 6.179 6.755 ( 0.617 -0.500 -6.320) 6.370 6.871 ( -2.713 -3.187 -9.814) 10.669 7.164 ( -3.333 -2.198 2.969) 4.975 7.230 ( 3.893 2.413 1.773) 4.912 7.355 ( 1.137 -0.727 0.446) 1.421 7.487 ( -1.775 2.157 -4.418) 5.227 8.625 ( 0.919 -0.641 2.620) 2.849 8.697 ( -0.268 1.403 -0.436) 1.493 8.948 ( -2.031 -1.784 2.724) 3.838 9.067 ( 2.316 1.662 -3.187) 4.276 9.467 ( 1.322 -0.581 0.852) 1.676 9.505 ( -1.358 0.237 -1.625) 2.131 10.776 ( 3.023 -1.857 0.813) 3.640 10.852 ( -3.983 -3.619 -4.202) 6.827 11.231 ( -2.526 1.362 4.894) 5.673 11.253 ( 1.788 5.304 1.492) 5.793 11.365 ( 0.620 4.233 5.658) 7.094 11.539 ( 2.246 2.526 -2.180) 4.022 11.736 ( 2.438 -2.011 3.275) 4.551 11.853 ( -3.123 -2.067 -1.240) 3.945 12.188 ( -2.010 -4.700 4.876) 7.065 12.407 ( 0.603 -2.890 -6.865) 7.473 ======================= Grid point 128 (70/89) ======================= q-point: (-0.17 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -0.787 0.848 5.760) 5.875 1.762 ( -6.678 8.807 -1.277) 11.126 1.933 ( 0.312 6.803 -0.633) 6.839 2.031 ( 1.530 -2.366 3.337) 4.367 2.204 ( 0.411 4.728 2.447) 5.340 2.422 ( -2.169 3.538 -0.971) 4.262 2.574 ( -6.628 -4.964 1.128) 8.358 2.738 ( -1.348 3.468 6.648) 7.618 2.957 ( 7.845 1.608 -4.094) 8.994 3.030 ( 3.209 3.458 -1.429) 4.929 3.129 ( -1.649 1.281 2.239) 3.061 3.328 ( 1.351 -0.989 -4.604) 4.899 3.428 ( -2.067 1.954 2.944) 4.093 3.449 ( -0.559 -3.157 1.228) 3.433 3.551 ( -0.218 -2.511 1.296) 2.834 3.673 ( -5.618 -0.704 3.611) 6.715 3.814 ( 2.752 -3.914 -5.898) 7.595 3.880 ( 2.582 2.593 5.027) 6.218 4.042 ( -0.032 4.806 1.679) 5.091 4.216 ( 2.173 2.111 -2.834) 4.149 4.687 ( 1.514 -1.893 10.608) 10.881 4.844 ( 1.690 3.556 5.688) 6.918 4.937 ( -0.496 -2.619 -2.484) 3.644 5.022 ( -1.321 1.252 -2.993) 3.503 5.254 ( -1.255 -7.304 7.270) 10.381 5.304 ( 2.603 6.598 5.427) 8.930 5.535 ( -0.993 -8.945 4.506) 10.065 5.559 ( -0.957 8.480 -0.852) 8.577 5.701 ( -2.625 -0.531 -0.373) 2.704 5.840 ( 1.307 2.225 -2.320) 3.469 6.353 ( 1.111 -1.334 -3.441) 3.855 6.441 ( -0.721 2.910 -8.315) 8.839 6.771 ( 1.099 -0.243 -1.446) 1.832 6.907 ( -1.379 -3.881 -8.547) 9.487 7.153 ( -2.213 -0.499 1.078) 2.511 7.234 ( 2.989 2.988 1.452) 4.469 7.342 ( -0.651 1.223 2.096) 2.513 7.499 ( 1.134 -3.248 -4.204) 5.432 8.642 ( -1.528 -1.696 0.653) 2.374 8.685 ( 1.623 1.058 1.137) 2.246 8.957 ( -2.095 -2.552 0.392) 3.325 9.063 ( 1.420 1.746 -2.023) 3.026 9.462 ( -2.167 0.125 0.105) 2.173 9.519 ( 2.405 -0.576 -0.011) 2.473 10.807 ( -4.077 0.878 -2.595) 4.912 10.848 ( 2.815 -0.847 -0.206) 2.947 11.154 ( -0.979 5.715 1.832) 6.081 11.218 ( 3.367 2.972 2.614) 5.197 11.350 ( 0.195 -2.957 5.434) 6.190 11.528 ( 0.713 1.349 -1.960) 2.484 11.771 ( 0.357 1.217 2.846) 3.116 11.854 ( -0.912 -1.953 -1.088) 2.414 12.243 ( -1.450 -4.166 3.864) 5.864 12.439 ( -0.024 -0.557 -5.523) 5.552 ======================= Grid point 132 (71/89) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -4.518 0.000 4.580) 6.434 1.801 ( 2.333 -0.000 -6.249) 6.670 1.950 ( 4.166 -0.000 10.584) 11.375 2.316 ( -4.868 0.000 -6.296) 7.958 2.394 ( 0.930 -0.000 7.171) 7.231 2.493 ( -4.787 0.000 1.480) 5.010 2.594 ( -2.499 0.000 12.549) 12.795 2.767 ( -2.096 0.000 3.614) 4.177 2.775 ( 3.215 -0.000 7.244) 7.926 3.000 ( -1.531 0.000 -2.477) 2.912 3.012 ( 8.489 -0.000 -5.098) 9.902 3.045 ( 0.110 -0.000 -5.243) 5.244 3.177 ( 3.395 -0.000 -1.230) 3.611 3.385 ( 0.947 -0.000 -3.202) 3.339 3.556 ( 2.445 -0.000 -1.472) 2.854 3.619 ( -6.176 0.000 2.627) 6.712 3.900 ( -15.714 0.000 4.799) 16.431 4.019 ( 15.788 -0.000 -0.736) 15.805 4.149 ( 0.907 -0.000 -3.342) 3.463 4.213 ( -1.250 0.000 -8.754) 8.843 4.695 ( -3.279 0.000 7.663) 8.335 4.875 ( -0.299 0.000 -3.884) 3.896 4.891 ( 2.870 -0.000 10.765) 11.141 5.056 ( 1.851 -0.000 -0.530) 1.926 5.079 ( -0.394 0.000 5.611) 5.624 5.248 ( -0.490 0.000 -1.191) 1.288 5.711 ( -1.289 0.000 9.321) 9.409 5.832 ( 2.180 -0.000 10.839) 11.056 5.913 ( 2.075 -0.000 -3.973) 4.482 5.995 ( 0.377 -0.000 3.589) 3.609 6.101 ( 0.423 -0.000 0.455) 0.621 6.470 ( 5.278 -0.000 -11.026) 12.224 6.714 ( -1.319 0.000 -3.379) 3.627 6.817 ( -5.449 0.000 -15.740) 16.656 7.121 ( -2.492 0.000 3.905) 4.633 7.277 ( 3.521 -0.000 -4.076) 5.386 7.334 ( 1.959 -0.000 6.111) 6.417 7.553 ( -3.338 0.000 -4.954) 5.974 8.624 ( 2.549 -0.000 3.366) 4.222 8.723 ( -1.819 0.000 -1.231) 2.196 8.917 ( -1.633 0.000 5.803) 6.028 9.102 ( 2.657 -0.000 -3.653) 4.517 9.460 ( 0.881 -0.000 0.464) 0.996 9.510 ( -0.776 0.000 -2.615) 2.728 10.729 ( -3.239 0.000 -0.395) 3.263 10.736 ( 2.061 -0.000 -1.333) 2.455 11.270 ( -3.344 0.000 7.753) 8.443 11.411 ( 3.984 -0.000 7.523) 8.513 11.442 ( 1.109 -0.000 -2.236) 2.496 11.629 ( -0.874 0.000 -1.306) 1.571 11.654 ( 3.005 -0.000 4.395) 5.325 11.798 ( -1.296 0.000 -4.329) 4.519 12.090 ( -3.510 0.000 4.835) 5.975 12.315 ( -0.096 0.000 -6.551) 6.552 ======================= Grid point 133 (72/89) ======================= q-point: (-0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -3.523 0.976 6.373) 7.347 1.829 ( 1.246 -0.981 -5.249) 5.484 1.993 ( 2.918 0.481 9.491) 9.941 2.184 ( -10.616 3.092 -5.617) 12.402 2.363 ( -1.043 4.407 6.195) 7.674 2.439 ( -2.913 -0.000 -0.021) 2.913 2.506 ( -12.503 -2.058 9.561) 15.874 2.701 ( -2.677 -1.127 2.978) 4.160 2.929 ( 9.080 -3.573 6.934) 11.971 2.962 ( -5.894 -5.438 -4.193) 9.050 3.112 ( 5.991 -0.302 -4.624) 7.574 3.195 ( 1.632 -9.437 -2.098) 9.804 3.261 ( 6.018 -2.371 0.563) 6.493 3.395 ( -1.144 -0.928 -2.788) 3.153 3.507 ( -8.934 1.219 1.735) 9.182 3.555 ( -0.297 0.609 -2.501) 2.591 3.807 ( -0.175 -2.210 3.542) 4.179 4.040 ( -2.754 3.417 1.882) 4.775 4.121 ( -1.438 2.646 -0.132) 3.015 4.288 ( 6.498 1.083 -7.463) 9.954 4.663 ( -0.980 -1.439 2.841) 3.332 4.841 ( -3.648 0.241 -1.852) 4.098 4.954 ( -0.526 -0.900 4.755) 4.868 5.039 ( 3.819 0.230 5.738) 6.896 5.140 ( 3.951 -1.147 2.674) 4.907 5.281 ( 1.283 -2.819 -1.084) 3.282 5.622 ( 0.534 8.003 12.621) 14.954 5.769 ( -0.065 7.318 7.447) 10.441 5.913 ( 0.170 1.553 -3.736) 4.050 5.935 ( 0.802 7.513 2.121) 7.848 6.197 ( 0.075 -7.413 0.944) 7.473 6.498 ( 0.699 1.586 -13.506) 13.616 6.743 ( 0.930 -3.915 -5.397) 6.732 6.766 ( -3.613 -1.269 -10.546) 11.220 7.097 ( -2.884 -1.165 3.142) 4.421 7.313 ( 3.800 1.150 -0.678) 4.028 7.369 ( 2.212 -0.517 3.537) 4.204 7.495 ( -2.337 2.133 -5.141) 6.036 8.645 ( 1.250 1.429 2.641) 3.253 8.712 ( 0.710 -0.326 -0.645) 1.013 8.903 ( -1.639 -0.700 4.356) 4.707 9.122 ( 2.161 1.382 -3.534) 4.367 9.470 ( 0.254 0.261 0.316) 0.483 9.503 ( 0.366 -0.238 -1.944) 1.993 10.732 ( -1.748 -4.115 -0.962) 4.573 10.774 ( 0.334 -2.181 -0.550) 2.274 11.205 ( -4.809 0.655 6.842) 8.389 11.384 ( 3.088 5.723 1.798) 6.747 11.446 ( 1.083 4.187 3.491) 5.558 11.599 ( 0.023 1.824 -2.948) 3.466 11.723 ( 2.594 -3.446 4.715) 6.390 11.773 ( -4.649 -1.438 -4.260) 6.467 12.103 ( 0.384 -3.192 6.545) 7.292 12.348 ( 0.054 -3.582 -5.976) 6.967 ======================= Grid point 134 (73/89) ======================= q-point: (-0.17 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -2.107 0.392 6.512) 6.856 1.838 ( -0.131 3.527 -3.677) 5.097 1.975 ( -5.865 1.466 -4.054) 7.279 2.043 ( 1.285 0.579 5.181) 5.369 2.265 ( -0.534 4.533 3.454) 5.724 2.368 ( -8.931 -0.565 4.201) 9.886 2.446 ( -2.404 -2.773 0.609) 3.720 2.716 ( -2.155 -2.640 5.409) 6.393 2.953 ( -3.874 -3.132 -2.153) 5.427 3.109 ( 3.745 -1.472 0.175) 4.027 3.166 ( 5.129 -1.386 0.968) 5.401 3.288 ( -3.704 -1.859 -2.557) 4.869 3.368 ( -4.962 -8.928 1.859) 10.381 3.420 ( -2.278 -1.018 -1.437) 2.879 3.457 ( 3.505 -4.695 4.030) 7.111 3.597 ( 5.375 -1.360 -4.863) 7.375 3.861 ( 3.257 2.357 -1.291) 4.222 3.951 ( 0.420 3.914 5.333) 6.628 4.031 ( -7.457 -1.167 6.131) 9.724 4.262 ( -2.985 2.666 -6.615) 7.731 4.701 ( 2.627 0.774 6.427) 6.987 4.834 ( 0.522 -3.937 -3.992) 5.631 4.911 ( -2.920 1.302 1.317) 3.457 5.091 ( 2.145 3.372 3.283) 5.172 5.199 ( 3.563 -0.252 4.761) 5.952 5.345 ( -1.401 -5.139 1.210) 5.462 5.532 ( 6.346 7.951 13.905) 17.229 5.661 ( -2.318 1.707 1.432) 3.216 5.767 ( -0.211 12.309 -2.424) 12.547 5.884 ( -0.114 2.137 -1.747) 2.763 6.301 ( -0.082 -5.311 0.144) 5.314 6.455 ( -2.146 1.531 -12.730) 13.000 6.760 ( -2.083 -2.228 -4.896) 5.768 6.826 ( 1.875 -3.299 -7.273) 8.203 7.095 ( -2.012 -2.413 2.172) 3.819 7.326 ( 2.999 2.740 3.472) 5.344 7.387 ( 1.593 2.878 0.416) 3.315 7.456 ( -1.129 -1.957 -5.590) 6.029 8.625 ( -0.135 1.103 1.175) 1.617 8.726 ( 1.427 1.150 0.720) 1.969 8.906 ( -0.544 -1.473 1.707) 2.319 9.109 ( 0.729 2.266 -2.880) 3.737 9.451 ( -0.872 0.939 -0.130) 1.288 9.533 ( 1.701 -1.013 -0.377) 2.016 10.751 ( -2.925 -0.930 -2.402) 3.898 10.843 ( 1.672 -4.509 0.218) 4.814 11.171 ( -1.799 -1.979 5.851) 6.433 11.333 ( 2.306 6.106 2.135) 6.867 11.359 ( 0.365 4.013 1.743) 4.391 11.553 ( -2.644 2.177 -3.495) 4.894 11.740 ( -3.744 -1.559 -0.644) 4.107 11.825 ( 3.001 -3.694 4.190) 6.341 12.176 ( 1.705 -3.285 4.647) 5.941 12.402 ( -0.614 -2.836 -4.964) 5.750 ======================= Grid point 139 (74/89) ======================= q-point: (-0.33 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -1.623 0.000 8.782) 8.931 1.794 ( -4.255 0.000 1.099) 4.395 2.033 ( 1.687 -0.000 9.667) 9.813 2.034 ( -13.765 0.000 -5.786) 14.931 2.349 ( -8.232 0.000 5.775) 10.055 2.407 ( 0.701 -0.000 7.011) 7.046 2.437 ( 0.107 -0.000 -3.305) 3.307 2.598 ( -9.736 0.000 -0.897) 9.777 2.810 ( -5.143 0.000 -3.367) 6.147 2.991 ( 3.332 -0.000 6.141) 6.986 3.065 ( -8.254 0.000 4.957) 9.628 3.192 ( 5.408 -0.000 -4.670) 7.145 3.306 ( -6.799 0.000 2.971) 7.420 3.336 ( 7.466 -0.000 1.609) 7.638 3.530 ( 3.475 -0.000 -7.701) 8.449 3.550 ( 3.572 -0.000 -3.637) 5.097 3.825 ( 4.457 -0.000 4.898) 6.622 3.965 ( -8.389 0.000 9.829) 12.922 4.168 ( 1.122 -0.000 -2.895) 3.105 4.283 ( -7.223 0.000 -9.114) 11.629 4.704 ( 7.394 -0.000 -0.702) 7.427 4.794 ( -3.994 0.000 -1.354) 4.217 4.947 ( 0.852 -0.000 8.260) 8.304 5.082 ( -1.071 0.000 0.124) 1.078 5.178 ( 6.328 -0.000 4.037) 7.506 5.292 ( 2.673 -0.000 -1.323) 2.982 5.632 ( -3.614 0.000 5.888) 6.909 5.913 ( -2.077 0.000 -4.397) 4.863 5.930 ( 2.714 -0.000 12.886) 13.169 6.012 ( 1.208 -0.000 4.852) 5.000 6.097 ( -0.190 0.000 0.790) 0.812 6.493 ( -4.134 0.000 -24.041) 24.394 6.689 ( -0.354 0.000 -2.855) 2.877 6.765 ( 3.234 -0.000 -4.718) 5.720 7.053 ( -2.589 0.000 2.782) 3.800 7.353 ( 1.624 -0.000 -5.485) 5.720 7.396 ( 2.116 -0.000 7.494) 7.787 7.495 ( -0.455 0.000 -4.435) 4.458 8.700 ( 2.638 -0.000 3.119) 4.085 8.701 ( 0.382 -0.000 -1.673) 1.716 8.887 ( -0.273 0.000 4.846) 4.853 9.158 ( 1.522 -0.000 -3.491) 3.808 9.487 ( 1.133 -0.000 0.682) 1.323 9.497 ( -0.033 0.000 -2.711) 2.712 10.677 ( -0.317 0.000 -0.667) 0.739 10.752 ( -0.808 0.000 0.890) 1.201 11.129 ( -7.173 0.000 6.825) 9.901 11.471 ( 1.393 -0.000 -0.860) 1.637 11.531 ( 4.302 -0.000 5.707) 7.147 11.578 ( -4.386 0.000 -4.554) 6.323 11.689 ( -5.097 0.000 -4.472) 6.781 11.709 ( 0.674 -0.000 4.987) 5.032 12.115 ( 4.655 -0.000 6.425) 7.934 12.320 ( 0.816 -0.000 -3.843) 3.929 ======================= Grid point 140 (75/89) ======================= q-point: (-0.17 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -0.302 1.608 9.155) 9.300 1.791 ( -4.362 -6.615 3.685) 8.739 1.884 ( -7.329 -0.540 -8.578) 11.296 2.043 ( -1.543 -0.788 6.904) 7.118 2.240 ( -7.860 1.076 2.475) 8.310 2.346 ( -1.601 5.511 -2.060) 6.097 2.419 ( 0.005 -0.993 4.564) 4.671 2.612 ( -2.130 -7.630 0.489) 7.937 2.808 ( -4.669 -5.701 -2.279) 7.713 3.007 ( -8.134 -5.749 3.441) 10.539 3.013 ( -6.598 -7.719 9.934) 14.206 3.256 ( 4.666 0.561 -4.546) 6.538 3.295 ( 4.245 0.658 3.013) 5.246 3.440 ( 5.665 -1.736 2.105) 6.288 3.556 ( 7.510 1.980 -4.272) 8.864 3.633 ( 2.882 -1.958 -5.822) 6.785 3.841 ( -6.126 -0.642 8.676) 10.640 3.902 ( -1.602 -1.548 6.597) 6.963 4.081 ( -2.199 7.843 -2.473) 8.513 4.221 ( -3.695 -0.799 -7.101) 8.044 4.736 ( -1.844 1.083 2.097) 2.995 4.791 ( 1.130 -2.149 0.378) 2.457 4.938 ( 0.812 2.942 0.486) 3.091 5.091 ( 0.136 -3.389 4.336) 5.505 5.255 ( 2.859 -0.126 -1.173) 3.092 5.304 ( -0.785 0.955 0.132) 1.243 5.601 ( -0.482 -1.266 4.184) 4.398 5.806 ( 0.190 10.503 6.291) 12.244 5.877 ( -2.206 3.005 -0.621) 3.779 5.964 ( 1.641 6.788 3.908) 8.003 6.196 ( 0.251 -6.839 1.816) 7.080 6.427 ( -4.150 -0.073 -20.861) 21.270 6.694 ( -0.407 -1.064 -2.659) 2.893 6.837 ( 4.478 -1.606 -4.158) 6.318 7.036 ( -1.754 -1.569 2.271) 3.270 7.371 ( -1.335 -1.917 -5.628) 6.093 7.407 ( 0.714 1.120 5.988) 6.134 7.478 ( 2.352 3.302 -2.598) 4.815 8.669 ( 1.171 3.012 0.892) 3.353 8.750 ( 1.099 -0.466 0.327) 1.237 8.898 ( 1.583 -0.384 3.368) 3.742 9.152 ( 0.159 2.076 -3.110) 3.743 9.470 ( 0.324 1.735 -0.691) 1.896 9.527 ( 0.764 -1.502 -0.752) 1.845 10.711 ( 0.055 -1.449 -1.052) 1.792 10.767 ( -0.014 -4.642 0.597) 4.681 11.069 ( -5.531 -3.693 6.506) 9.304 11.409 ( -6.053 3.092 -3.638) 7.709 11.479 ( 2.162 6.560 1.517) 7.072 11.536 ( -1.817 2.876 -0.330) 3.418 11.667 ( -1.834 -2.603 0.412) 3.211 11.781 ( 1.581 -5.513 3.673) 6.810 12.195 ( 5.879 -0.833 4.453) 7.422 12.353 ( 0.541 -2.178 -2.292) 3.207 ======================= Grid point 146 (76/89) ======================= q-point: (-0.17 -0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 3.589 -0.000 8.072) 8.834 1.610 ( -8.086 0.000 15.540) 17.518 1.820 ( -0.192 0.000 -12.112) 12.114 1.946 ( -13.487 0.000 7.391) 15.379 2.179 ( -6.575 0.000 -3.516) 7.456 2.313 ( -10.246 0.000 2.360) 10.514 2.407 ( -0.434 0.000 0.151) 0.460 2.501 ( 4.431 -0.000 -5.676) 7.201 2.736 ( -0.516 0.000 0.825) 0.973 2.872 ( -5.019 0.000 1.476) 5.231 2.934 ( 1.622 -0.000 19.584) 19.651 3.316 ( 4.610 -0.000 -4.108) 6.175 3.383 ( 6.862 -0.000 5.985) 9.106 3.487 ( 3.362 -0.000 1.150) 3.553 3.609 ( 1.294 -0.000 -7.711) 7.819 3.677 ( 4.958 -0.000 -3.989) 6.364 3.789 ( -4.332 0.000 6.239) 7.595 3.853 ( -3.725 0.000 3.547) 5.144 4.075 ( -6.307 0.000 -7.396) 9.720 4.224 ( 2.992 -0.000 0.373) 3.015 4.715 ( -1.518 0.000 1.537) 2.160 4.770 ( -1.582 0.000 5.513) 5.736 4.999 ( 2.391 -0.000 1.627) 2.892 5.045 ( -0.927 0.000 -0.188) 0.946 5.240 ( -3.727 0.000 -0.768) 3.806 5.310 ( -1.209 0.000 -4.209) 4.380 5.583 ( 0.358 -0.000 3.611) 3.628 5.819 ( -4.331 0.000 -4.888) 6.531 5.912 ( -3.149 0.000 4.784) 5.728 6.095 ( 3.997 -0.000 10.010) 10.779 6.112 ( 1.063 -0.000 2.600) 2.809 6.358 ( -4.361 0.000 -24.421) 24.807 6.705 ( 1.698 -0.000 0.561) 1.788 6.882 ( 4.792 -0.000 -3.445) 5.902 7.005 ( -0.996 0.000 2.025) 2.257 7.300 ( -5.065 0.000 -7.563) 9.103 7.436 ( 0.692 -0.000 7.767) 7.798 7.548 ( 3.754 -0.000 -2.576) 4.553 8.735 ( 1.941 -0.000 -1.702) 2.582 8.738 ( 0.134 -0.000 2.120) 2.124 8.929 ( 3.171 -0.000 4.195) 5.258 9.168 ( -0.718 0.000 -2.865) 2.954 9.507 ( 0.097 -0.000 0.568) 0.576 9.507 ( 0.849 -0.000 -2.550) 2.688 10.715 ( 2.993 -0.000 -1.716) 3.450 10.718 ( -1.437 0.000 2.551) 2.928 10.957 ( -5.338 0.000 6.127) 8.126 11.292 ( -12.113 0.000 -5.008) 13.108 11.563 ( 1.946 -0.000 2.054) 2.830 11.600 ( 0.697 -0.000 2.483) 2.579 11.660 ( 2.418 -0.000 -3.936) 4.620 11.690 ( -2.073 0.000 5.355) 5.742 12.276 ( 6.838 -0.000 3.313) 7.598 12.351 ( 1.365 -0.000 0.059) 1.366 ======================= Grid point 147 (77/89) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 1.514 -0.000 -4.236) 4.498 1.667 ( -1.514 0.000 4.236) 4.498 1.751 ( 7.918 -0.000 -7.399) 10.837 1.751 ( -7.918 0.000 7.399) 10.837 2.055 ( -1.038 0.000 -6.375) 6.459 2.055 ( 1.038 -0.000 6.375) 6.459 2.488 ( 1.753 -0.000 -5.152) 5.442 2.488 ( -1.753 0.000 5.152) 5.442 2.788 ( -1.228 0.000 -2.345) 2.647 2.788 ( 1.228 -0.000 2.345) 2.647 3.364 ( -0.316 0.000 -8.155) 8.161 3.364 ( 0.316 -0.000 8.155) 8.161 3.449 ( 1.208 -0.000 -2.116) 2.437 3.449 ( -1.208 0.000 2.116) 2.437 3.631 ( -4.277 0.000 -3.836) 5.745 3.631 ( 4.277 -0.000 3.836) 5.745 3.752 ( 6.767 -0.000 -3.750) 7.737 3.752 ( -6.767 0.000 3.750) 7.737 4.185 ( -2.034 0.000 -9.322) 9.541 4.185 ( 2.034 -0.000 9.322) 9.541 4.814 ( -1.999 0.000 -1.669) 2.604 4.814 ( 1.999 -0.000 1.669) 2.604 5.013 ( 1.210 -0.000 -4.124) 4.298 5.013 ( -1.210 0.000 4.124) 4.298 5.128 ( 2.576 -0.000 -5.338) 5.927 5.128 ( -2.576 0.000 5.338) 5.927 5.663 ( -2.206 0.000 -2.410) 3.267 5.663 ( 2.206 -0.000 2.410) 3.267 5.965 ( 1.265 -0.000 -10.797) 10.871 5.965 ( -1.265 0.000 10.797) 10.871 6.197 ( -1.321 0.000 -1.492) 1.993 6.197 ( 1.321 -0.000 1.492) 1.993 6.860 ( -0.780 0.000 -6.283) 6.332 6.860 ( 0.780 -0.000 6.283) 6.332 7.075 ( -3.139 0.000 -3.476) 4.684 7.075 ( 3.139 -0.000 3.476) 4.684 7.553 ( 2.011 -0.000 -5.546) 5.899 7.553 ( -2.011 0.000 5.546) 5.899 8.746 ( 1.690 -0.000 -1.821) 2.484 8.746 ( -1.690 0.000 1.821) 2.484 9.071 ( -2.006 0.000 -3.386) 3.936 9.071 ( 2.006 -0.000 3.386) 3.936 9.501 ( 1.395 -0.000 -1.268) 1.885 9.501 ( -1.395 0.000 1.268) 1.885 10.732 ( 1.551 -0.000 -2.433) 2.886 10.732 ( -1.551 0.000 2.433) 2.886 11.022 ( -3.395 0.000 -3.394) 4.801 11.022 ( 3.395 -0.000 3.394) 4.801 11.605 ( 1.257 -0.000 -0.907) 1.550 11.605 ( -1.257 0.000 0.907) 1.550 11.693 ( 4.656 -0.000 -3.708) 5.953 11.693 ( -4.656 0.000 3.708) 5.953 12.391 ( 0.900 -0.000 -1.029) 1.367 12.391 ( -0.900 0.000 1.029) 1.367 ======================= Grid point 149 (78/89) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -7.538 -2.904 10.034) 12.882 1.632 ( -2.107 -0.148 3.930) 4.462 1.775 ( 3.445 -0.981 -1.298) 3.810 1.952 ( 11.983 -4.110 -6.809) 14.382 2.118 ( 1.271 -5.488 -3.323) 6.540 2.179 ( 5.023 -5.869 5.080) 9.246 2.527 ( -2.439 -6.887 2.434) 7.701 2.568 ( 1.088 -8.855 -4.155) 9.842 2.774 ( -0.241 -0.252 -2.132) 2.161 2.838 ( 5.213 -1.965 -0.334) 5.581 3.264 ( -5.552 3.571 -3.118) 7.300 3.298 ( -3.536 2.313 -0.630) 4.272 3.415 ( -2.520 3.263 0.074) 4.124 3.518 ( 3.186 -3.642 5.126) 7.049 3.621 ( -2.218 -3.717 -1.828) 4.698 3.642 ( -6.119 2.555 4.054) 7.773 3.726 ( 5.520 -1.722 -1.493) 5.972 3.851 ( 5.517 -1.780 -0.898) 5.867 4.141 ( -2.460 1.399 -9.352) 9.771 4.188 ( 1.186 2.503 5.473) 6.134 4.791 ( -2.345 -0.885 -3.093) 3.981 4.844 ( 1.031 -1.796 -0.222) 2.083 4.957 ( -1.917 3.406 -3.797) 5.449 5.025 ( 2.326 0.445 8.206) 8.541 5.172 ( 2.135 -4.620 3.224) 6.025 5.195 ( 3.485 -1.681 -0.731) 3.938 5.655 ( -0.491 -0.869 -2.351) 2.555 5.710 ( 3.497 -0.626 1.412) 3.823 5.875 ( -2.430 8.299 7.903) 11.715 5.930 ( 2.227 6.383 -1.504) 6.926 6.198 ( -2.425 -2.808 -3.572) 5.150 6.251 ( 1.607 -4.060 1.989) 4.798 6.823 ( -3.035 1.349 -7.104) 7.842 6.857 ( -0.821 0.208 3.271) 3.378 7.068 ( -1.261 -2.279 -2.618) 3.693 7.154 ( 4.483 -3.166 4.303) 6.974 7.496 ( -2.749 3.041 4.565) 6.135 7.544 ( 1.018 3.060 -5.864) 6.693 8.706 ( -2.037 1.733 1.195) 2.929 8.747 ( 1.084 1.750 -0.359) 2.090 9.018 ( -2.804 2.071 -2.484) 4.280 9.075 ( 1.180 1.571 3.071) 3.646 9.477 ( -1.654 0.560 0.936) 1.981 9.520 ( 1.269 -0.400 -0.544) 1.438 10.735 ( -2.100 -1.638 0.762) 2.770 10.770 ( 0.457 -3.406 -0.582) 3.486 11.041 ( 2.303 -2.933 -1.526) 4.030 11.117 ( 7.310 -2.690 0.761) 7.827 11.547 ( -0.662 4.239 -0.200) 4.295 11.552 ( -1.250 4.283 1.202) 4.620 11.699 ( -2.715 -4.075 -0.515) 4.924 11.789 ( 3.204 -4.168 -0.520) 5.283 12.357 ( -3.030 1.025 0.070) 3.200 12.386 ( -0.877 0.239 -1.292) 1.580 ======================= Grid point 150 (79/89) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -2.699 0.298 -1.316) 3.017 1.684 ( 1.773 -5.129 12.793) 13.897 1.826 ( 1.415 -0.844 -2.935) 3.366 2.103 ( 4.371 -1.125 -1.502) 4.757 2.220 ( 1.380 -3.451 3.980) 5.445 2.291 ( 3.023 -3.059 -5.052) 6.634 2.515 ( -5.623 1.951 -2.611) 6.500 2.778 ( 0.753 -8.284 3.787) 9.140 2.857 ( 2.502 -7.664 -4.146) 9.066 3.005 ( 10.713 -4.390 -2.320) 11.807 3.151 ( -3.450 2.202 3.210) 5.201 3.280 ( -0.237 -4.374 -2.334) 4.964 3.330 ( -2.988 -0.368 0.278) 3.023 3.503 ( -7.810 2.543 2.571) 8.606 3.589 ( -2.238 -1.552 5.101) 5.783 3.677 ( -0.823 -5.038 -2.085) 5.514 3.842 ( 8.885 -0.502 -0.363) 8.907 3.875 ( 0.032 5.286 -0.560) 5.316 4.090 ( -1.842 -0.126 -8.602) 8.798 4.172 ( 2.971 1.282 1.791) 3.698 4.785 ( -1.434 -1.350 -3.204) 3.761 4.875 ( -1.829 2.420 2.059) 3.666 4.904 ( 0.851 -3.104 -5.814) 6.645 5.074 ( 4.119 -0.951 7.427) 8.546 5.245 ( 0.666 -1.867 -0.864) 2.162 5.301 ( 2.391 -6.349 1.320) 6.912 5.644 ( -3.979 11.853 10.159) 16.110 5.668 ( 0.017 0.896 -0.637) 1.099 5.725 ( 0.884 5.199 -0.818) 5.337 5.858 ( 3.104 3.555 1.711) 5.020 6.219 ( -1.805 -2.704 -3.703) 4.927 6.351 ( 2.254 -4.132 0.959) 4.804 6.753 ( -3.287 1.303 -6.398) 7.310 6.834 ( -1.539 0.652 1.945) 2.564 7.109 ( 0.270 -3.091 -2.014) 3.699 7.269 ( 3.991 -3.269 4.591) 6.906 7.403 ( -2.869 3.121 3.279) 5.360 7.488 ( 0.163 4.038 -5.391) 6.738 8.651 ( -1.474 1.832 0.160) 2.357 8.730 ( 0.871 1.367 0.839) 1.825 8.955 ( -1.989 1.376 -1.197) 2.699 9.063 ( 0.609 1.083 1.625) 2.046 9.449 ( -1.098 0.580 0.408) 1.307 9.544 ( 0.918 -0.587 -0.074) 1.092 10.720 ( -1.489 -0.016 -0.950) 1.766 10.848 ( -0.140 -4.605 1.172) 4.754 11.152 ( 5.722 -3.819 1.293) 7.000 11.255 ( 6.064 -2.132 -0.498) 6.447 11.447 ( -2.991 5.023 -1.789) 6.114 11.478 ( -1.694 2.149 0.490) 2.780 11.725 ( -1.301 -2.093 -0.948) 2.640 11.888 ( 2.321 -3.139 0.760) 3.977 12.293 ( -3.394 1.201 -0.294) 3.612 12.373 ( -0.995 -0.370 -0.911) 1.398 ======================= Grid point 151 (80/89) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.000 -0.000 0.000) 0.000 1.771 ( -0.000 -0.000 -0.000) 0.000 1.827 ( 0.000 -0.000 0.000) 0.000 2.136 ( 0.000 -0.000 -0.000) 0.000 2.254 ( 0.000 0.000 -0.000) 0.000 2.350 ( 0.000 -0.000 -0.000) 0.000 2.433 ( 0.000 -0.000 -0.000) 0.000 2.838 ( 0.000 -0.000 -0.000) 0.000 2.981 ( 0.000 -0.000 -0.000) 0.000 3.012 ( -0.000 0.000 0.000) 0.000 3.215 ( -0.000 0.000 -0.000) 0.000 3.285 ( 0.000 -0.000 -0.000) 0.000 3.382 ( 0.000 -0.000 -0.000) 0.000 3.491 ( 0.000 0.000 -0.000) 0.000 3.528 ( 0.000 -0.000 -0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.757 ( -0.000 -0.000 -0.000) 0.000 3.907 ( -0.000 -0.000 -0.000) 0.000 4.107 ( 0.000 0.000 -0.000) 0.000 4.188 ( -0.000 -0.000 -0.000) 0.000 4.791 ( -0.000 -0.000 -0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 -0.000 -0.000) 0.000 5.117 ( 0.000 -0.000 -0.000) 0.000 5.289 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 -0.000 -0.000) 0.000 5.440 ( 0.000 -0.000 -0.000) 0.000 5.629 ( 0.000 -0.000 -0.000) 0.000 5.683 ( 0.000 -0.000 -0.000) 0.000 5.865 ( 0.000 -0.000 -0.000) 0.000 6.230 ( 0.000 -0.000 -0.000) 0.000 6.407 ( 0.000 -0.000 -0.000) 0.000 6.717 ( -0.000 -0.000 -0.000) 0.000 6.815 ( 0.000 -0.000 -0.000) 0.000 7.147 ( 0.000 -0.000 -0.000) 0.000 7.320 ( 0.000 -0.000 -0.000) 0.000 7.368 ( 0.000 -0.000 0.000) 0.000 7.439 ( 0.000 0.000 -0.000) 0.000 8.623 ( 0.000 -0.000 -0.000) 0.000 8.726 ( 0.000 -0.000 -0.000) 0.000 8.930 ( 0.000 -0.000 -0.000) 0.000 9.058 ( 0.000 -0.000 -0.000) 0.000 9.436 ( 0.000 -0.000 -0.000) 0.000 9.556 ( 0.000 -0.000 -0.000) 0.000 10.710 ( 0.000 -0.000 -0.000) 0.000 10.889 ( 0.000 -0.000 -0.000) 0.000 11.276 ( -0.000 0.000 -0.000) 0.000 11.312 ( -0.000 0.000 -0.000) 0.000 11.333 ( 0.000 -0.000 0.000) 0.000 11.447 ( 0.000 -0.000 -0.000) 0.000 11.734 ( 0.000 -0.000 -0.000) 0.000 11.934 ( 0.000 -0.000 -0.000) 0.000 12.256 ( 0.000 -0.000 -0.000) 0.000 12.371 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 156 (81/89) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 2.199 -0.000 16.536) 16.681 1.614 ( -0.686 0.000 -2.550) 2.641 1.840 ( 4.951 -0.000 -6.752) 8.372 2.050 ( 9.966 -0.000 -0.529) 9.980 2.134 ( 5.627 -0.000 2.640) 6.215 2.222 ( 9.538 -0.000 5.240) 10.883 2.442 ( -0.224 0.000 -0.165) 0.279 2.508 ( 0.897 -0.000 -6.584) 6.645 2.772 ( -0.432 0.000 -3.082) 3.112 2.891 ( 7.376 -0.000 -0.209) 7.379 3.196 ( -7.626 0.000 -6.650) 10.118 3.246 ( -6.211 0.000 2.897) 6.854 3.445 ( -1.940 0.000 5.213) 5.562 3.498 ( -1.158 0.000 -0.825) 1.422 3.504 ( -6.170 0.000 -2.538) 6.672 3.601 ( -5.281 0.000 3.936) 6.587 3.841 ( 13.142 -0.000 1.264) 13.203 3.886 ( 2.570 -0.000 0.360) 2.595 4.127 ( -1.378 0.000 -11.079) 11.164 4.220 ( -0.006 0.000 2.132) 2.132 4.760 ( -1.033 0.000 -2.850) 3.031 4.826 ( -1.663 0.000 -0.383) 1.707 4.980 ( -0.385 0.000 6.970) 6.981 5.030 ( 0.490 -0.000 -3.548) 3.582 5.173 ( 3.902 -0.000 8.827) 9.651 5.245 ( 3.913 -0.000 -0.534) 3.949 5.657 ( 1.580 -0.000 -4.331) 4.610 5.758 ( 4.334 -0.000 1.655) 4.639 5.950 ( 0.105 -0.000 16.114) 16.114 6.002 ( 1.909 -0.000 -5.919) 6.219 6.146 ( -2.263 0.000 0.223) 2.274 6.213 ( 0.311 -0.000 -0.867) 0.921 6.795 ( -3.526 0.000 -9.392) 10.032 6.829 ( -3.050 0.000 2.251) 3.791 7.053 ( 1.363 -0.000 -2.888) 3.194 7.178 ( 3.845 -0.000 5.507) 6.717 7.485 ( -3.185 0.000 4.205) 5.275 7.573 ( -0.304 0.000 -6.645) 6.652 8.692 ( -2.273 0.000 2.646) 3.488 8.770 ( 0.144 -0.000 -1.282) 1.290 9.003 ( -2.535 0.000 -3.614) 4.414 9.093 ( -0.267 0.000 5.001) 5.008 9.468 ( -0.924 0.000 1.525) 1.783 9.521 ( -0.032 0.000 -0.959) 0.960 10.681 ( -1.907 0.000 1.791) 2.616 10.764 ( 1.220 -0.000 -2.140) 2.464 11.067 ( 5.964 -0.000 -5.431) 8.066 11.208 ( 9.353 -0.000 4.254) 10.275 11.562 ( -5.058 0.000 3.845) 6.353 11.593 ( 0.449 -0.000 1.376) 1.447 11.640 ( 0.930 -0.000 -1.349) 1.639 11.773 ( 1.615 -0.000 -3.241) 3.621 12.321 ( -4.042 0.000 -1.758) 4.407 12.358 ( -3.206 0.000 -0.792) 3.302 ======================= Grid point 157 (82/89) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 3.568 2.214 -1.662) 4.516 1.654 ( 5.976 -3.735 10.897) 12.977 1.872 ( 3.234 1.998 -3.133) 4.926 2.150 ( 4.304 0.535 -2.351) 4.933 2.225 ( 4.721 -1.283 3.758) 6.169 2.336 ( 7.644 0.485 -0.464) 7.673 2.493 ( 0.484 -0.423 -3.266) 3.329 2.634 ( 4.970 -12.199 -0.481) 13.181 2.794 ( 1.985 -3.066 -1.777) 4.062 3.048 ( 9.959 -5.641 -0.797) 11.474 3.132 ( -2.224 -0.930 -0.572) 2.478 3.162 ( -5.589 -0.627 3.008) 6.378 3.346 ( -5.103 3.631 -1.923) 6.551 3.430 ( -4.495 1.362 2.572) 5.355 3.512 ( -4.672 -3.998 0.293) 6.156 3.565 ( -4.042 -3.688 0.564) 5.501 3.887 ( -0.740 1.229 2.522) 2.902 4.005 ( 8.620 1.700 3.682) 9.526 4.118 ( 4.276 1.141 -11.804) 12.606 4.201 ( -0.987 0.340 -2.626) 2.826 4.758 ( -0.212 -0.568 -0.934) 1.114 4.803 ( -4.016 -1.999 -0.359) 4.500 4.952 ( 1.343 3.039 -1.396) 3.604 5.062 ( 0.582 -2.572 6.090) 6.636 5.251 ( 2.041 -3.485 5.118) 6.520 5.264 ( 0.359 0.948 -0.755) 1.264 5.679 ( 2.459 0.635 -4.359) 5.045 5.798 ( 1.970 1.775 1.746) 3.175 5.833 ( 0.448 11.317 11.234) 15.953 5.990 ( 1.673 7.308 3.432) 8.245 6.144 ( -0.767 -4.359 -2.119) 4.907 6.290 ( 1.365 -5.831 -1.300) 6.128 6.728 ( -3.569 1.313 -6.713) 7.716 6.801 ( -3.050 -1.159 -0.647) 3.327 7.087 ( 2.215 -1.215 -2.756) 3.739 7.253 ( 2.496 -3.380 5.579) 6.985 7.420 ( -2.887 2.919 3.510) 5.401 7.537 ( -1.376 2.629 -6.351) 7.010 8.658 ( -1.359 1.085 2.020) 2.666 8.755 ( -0.572 1.089 -0.410) 1.296 8.962 ( -0.856 1.541 -3.296) 3.738 9.080 ( -0.759 0.768 4.365) 4.497 9.452 ( -0.265 0.774 1.004) 1.295 9.527 ( -0.684 -1.212 -0.625) 1.526 10.692 ( -0.688 -2.381 0.907) 2.639 10.788 ( 0.959 -1.897 -1.638) 2.683 11.175 ( 6.541 -2.511 -4.128) 8.132 11.325 ( 6.989 0.020 4.120) 8.113 11.470 ( -3.652 3.775 2.513) 5.823 11.540 ( 0.297 5.198 0.108) 5.208 11.679 ( 0.346 -2.666 -0.495) 2.734 11.835 ( 0.353 -4.703 -1.803) 5.049 12.263 ( -3.458 0.458 -2.641) 4.375 12.327 ( -3.179 -1.716 0.058) 3.613 ======================= Grid point 158 (83/89) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 3.236 2.164 -2.205) 4.474 1.753 ( -1.174 -0.852 3.867) 4.130 1.896 ( 7.509 2.327 1.815) 8.068 2.152 ( -0.380 1.920 -4.322) 4.745 2.290 ( 4.813 0.620 1.094) 4.974 2.398 ( 4.054 2.469 1.479) 4.972 2.474 ( 3.604 1.955 -3.652) 5.490 2.846 ( 4.092 -3.419 -3.564) 6.414 2.895 ( 0.729 -5.074 1.989) 5.499 3.050 ( -3.783 3.048 3.735) 6.127 3.190 ( -6.284 -4.194 -0.018) 7.555 3.243 ( 0.505 1.198 1.271) 1.818 3.357 ( 2.431 -12.124 3.569) 12.870 3.430 ( 8.550 -5.214 -1.054) 10.070 3.500 ( -3.250 -1.699 -1.599) 4.000 3.588 ( -3.742 -4.623 -4.084) 7.214 3.808 ( -3.192 4.940 3.674) 6.935 3.990 ( 1.727 5.441 2.992) 6.445 4.146 ( -0.505 0.199 -7.454) 7.474 4.195 ( 0.503 2.713 1.363) 3.078 4.783 ( -0.883 -3.338 1.183) 3.650 4.807 ( 0.983 -0.821 -1.308) 1.831 4.940 ( 1.179 0.060 -4.952) 5.091 5.099 ( -2.669 -0.985 3.588) 4.579 5.246 ( -0.232 -2.024 0.089) 2.039 5.335 ( -0.426 -4.982 0.999) 5.099 5.607 ( 1.388 13.112 12.867) 18.423 5.701 ( 2.820 2.117 -2.222) 4.168 5.737 ( -0.227 8.638 -4.573) 9.776 5.884 ( -1.504 3.529 0.113) 3.838 6.224 ( 2.443 -2.777 2.634) 4.541 6.377 ( -0.793 -3.027 -3.029) 4.355 6.701 ( -0.124 -1.618 -0.516) 1.703 6.791 ( -1.640 -1.668 -2.185) 3.201 7.142 ( 2.175 -1.609 -2.123) 3.439 7.316 ( -3.209 -0.981 3.173) 4.618 7.351 ( 1.715 0.612 3.726) 4.147 7.463 ( -1.862 3.136 -4.800) 6.028 8.634 ( 0.419 0.833 0.667) 1.147 8.726 ( -1.387 0.871 0.355) 1.676 8.946 ( 1.445 0.732 -2.201) 2.733 9.056 ( -1.200 0.546 2.510) 2.835 9.445 ( 0.743 0.371 0.518) 0.979 9.534 ( -1.553 -1.106 -0.444) 1.957 10.722 ( 1.628 -0.638 0.643) 1.863 10.849 ( -0.112 -3.790 -0.980) 3.916 11.265 ( -0.473 -0.072 -3.870) 3.900 11.337 ( -0.494 2.622 1.962) 3.312 11.366 ( 1.431 4.089 1.486) 4.580 11.493 ( 1.998 2.409 2.193) 3.821 11.727 ( 1.380 -1.808 0.814) 2.415 11.893 ( -2.152 -2.872 -2.363) 4.297 12.247 ( 0.425 -1.513 -2.085) 2.610 12.336 ( -1.683 -2.800 0.988) 3.413 ======================= Grid point 159 (84/89) ======================= q-point: (-0.33 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 3.826 0.731 1.024) 4.027 1.701 ( -3.774 1.221 -3.387) 5.215 1.927 ( 6.680 5.632 0.004) 8.738 2.083 ( -4.261 3.132 -1.166) 5.415 2.293 ( 2.696 4.350 -5.179) 7.281 2.344 ( -0.983 5.535 6.602) 8.672 2.583 ( 10.723 -2.004 -1.204) 10.975 2.871 ( -2.735 2.461 1.949) 4.163 2.899 ( -5.655 0.703 -4.166) 7.059 2.948 ( -2.439 4.345 5.623) 7.514 3.175 ( 3.110 -0.310 -2.811) 4.204 3.254 ( -1.766 -1.139 2.620) 3.358 3.446 ( 0.135 2.953 0.312) 2.973 3.483 ( 0.513 -3.606 -1.508) 3.942 3.634 ( -0.941 -4.432 -6.538) 7.954 3.693 ( -4.548 -6.558 6.112) 10.053 3.737 ( 8.621 2.090 -2.507) 9.218 3.889 ( -0.598 6.638 3.574) 7.563 4.102 ( -2.873 -0.319 1.648) 3.327 4.143 ( -1.267 1.250 -1.388) 2.258 4.824 ( 2.328 -0.485 3.593) 4.308 4.849 ( 2.901 -1.220 1.476) 3.476 4.942 ( -1.505 0.474 -3.119) 3.495 5.003 ( -7.289 2.105 -2.207) 7.902 5.313 ( 1.729 1.864 3.382) 4.231 5.368 ( -2.208 2.268 -1.981) 3.734 5.532 ( 5.347 -3.715 0.875) 6.570 5.625 ( -1.438 -1.618 -2.003) 2.949 5.709 ( 2.710 1.977 -3.105) 4.571 5.807 ( -4.013 2.073 0.427) 4.537 6.280 ( 3.092 0.624 4.616) 5.590 6.362 ( -2.907 1.187 -3.530) 4.725 6.761 ( 2.664 -2.672 5.253) 6.468 6.814 ( -0.742 -2.485 -4.176) 4.916 7.168 ( 2.164 2.051 0.666) 3.055 7.256 ( -3.910 1.628 -1.567) 4.516 7.393 ( 1.311 -1.561 -1.522) 2.544 7.424 ( -1.090 -1.890 2.174) 3.080 8.647 ( 1.706 -0.716 0.298) 1.874 8.698 ( -1.927 -0.304 -0.249) 1.967 8.971 ( 2.683 -0.396 -0.931) 2.867 9.034 ( -1.899 -0.344 0.851) 2.109 9.462 ( 1.928 -0.282 0.189) 1.957 9.522 ( -2.326 -0.496 -0.298) 2.397 10.760 ( 3.809 0.333 1.743) 4.202 10.869 ( -2.982 -0.271 -2.423) 3.852 11.178 ( -0.943 4.783 -0.456) 4.896 11.243 ( -4.170 3.893 -0.175) 5.707 11.419 ( 3.508 -2.110 0.153) 4.096 11.479 ( -0.432 0.350 1.790) 1.875 11.774 ( 3.279 -0.013 2.484) 4.113 11.874 ( -3.800 0.067 -2.974) 4.826 12.307 ( 2.890 -2.185 -1.559) 3.944 12.360 ( -1.135 -1.907 1.621) 2.748 ======================= Grid point 160 (85/89) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -1.618 -0.214 -9.956) 10.089 1.648 ( 1.618 -0.214 9.956) 10.089 1.910 ( 7.472 7.118 -6.007) 11.941 1.910 ( -7.472 7.118 6.007) 11.941 2.234 ( 0.876 5.622 -6.723) 8.808 2.234 ( -0.876 5.622 6.723) 8.808 2.708 ( -4.187 6.460 -3.745) 8.561 2.708 ( 4.187 6.460 3.745) 8.561 2.817 ( 2.241 4.839 -4.090) 6.721 2.817 ( -2.241 4.839 4.090) 6.721 3.245 ( 1.826 -2.807 -3.783) 5.052 3.245 ( -1.826 -2.807 3.783) 5.052 3.473 ( -6.408 0.060 -1.561) 6.595 3.473 ( 6.408 0.060 1.561) 6.595 3.664 ( 1.994 1.170 -4.869) 5.390 3.664 ( -1.994 1.170 4.869) 5.390 3.793 ( -4.907 1.413 -1.056) 5.214 3.793 ( 4.907 1.413 1.056) 5.214 4.134 ( -0.350 -2.110 -6.394) 6.743 4.134 ( 0.350 -2.110 6.394) 6.743 4.851 ( -2.234 2.163 -2.532) 4.010 4.851 ( 2.234 2.163 2.532) 4.010 4.943 ( -2.657 -2.665 -6.787) 7.761 4.943 ( 2.657 -2.665 6.787) 7.761 5.249 ( -0.747 6.092 -2.609) 6.669 5.249 ( 0.747 6.092 2.609) 6.669 5.689 ( 0.099 -0.766 -2.117) 2.254 5.689 ( -0.099 -0.766 2.117) 2.254 5.760 ( 1.700 -7.819 -8.013) 11.325 5.760 ( -1.700 -7.819 8.013) 11.325 6.284 ( -2.637 3.247 -3.713) 5.594 6.284 ( 2.637 3.247 3.713) 5.594 6.833 ( -1.811 -1.731 -6.232) 6.717 6.833 ( 1.811 -1.731 6.232) 6.717 7.155 ( -3.745 3.567 -3.222) 6.093 7.155 ( 3.745 3.567 3.222) 6.093 7.463 ( 1.826 -4.038 -4.673) 6.441 7.463 ( -1.826 -4.038 4.673) 6.441 8.694 ( -1.375 -2.059 -1.081) 2.701 8.694 ( 1.375 -2.059 1.081) 2.701 9.021 ( -2.531 -1.521 -0.844) 3.072 9.021 ( 2.531 -1.521 0.844) 3.072 9.496 ( -2.247 -0.290 0.071) 2.267 9.496 ( 2.247 -0.290 -0.071) 2.267 10.799 ( -3.484 1.909 -3.322) 5.179 10.799 ( 3.484 1.909 3.322) 5.179 11.115 ( -0.634 4.880 -1.726) 5.215 11.115 ( 0.634 4.880 1.726) 5.215 11.492 ( -0.078 -3.202 -2.132) 3.847 11.492 ( 0.078 -3.202 2.132) 3.847 11.801 ( -2.652 2.580 -4.583) 5.890 11.801 ( 2.652 2.580 4.583) 5.890 12.368 ( 0.563 -1.272 -2.535) 2.892 12.368 ( -0.563 -1.272 2.535) 2.892 ======================= Grid point 164 (86/89) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 1.651 -0.000 -5.439) 5.684 1.715 ( 4.241 -0.000 7.616) 8.717 1.964 ( 7.918 -0.000 2.699) 8.366 2.204 ( 1.230 -0.000 -7.498) 7.599 2.296 ( 7.540 -0.000 4.840) 8.959 2.497 ( 13.063 -0.000 6.594) 14.632 2.526 ( 0.312 -0.000 -2.971) 2.987 2.555 ( 8.928 -0.000 -7.967) 11.966 2.801 ( 2.658 -0.000 -0.976) 2.832 3.054 ( -2.706 0.000 -0.534) 2.758 3.091 ( -2.288 0.000 2.372) 3.295 3.115 ( -2.559 0.000 4.597) 5.261 3.306 ( -5.602 0.000 1.272) 5.745 3.387 ( -6.668 0.000 -4.322) 7.946 3.468 ( 7.215 -0.000 -1.533) 7.376 3.482 ( -1.402 0.000 3.144) 3.443 3.873 ( -3.248 0.000 1.927) 3.777 4.084 ( 1.533 -0.000 0.455) 1.599 4.168 ( -3.265 0.000 -4.330) 5.423 4.222 ( 6.908 -0.000 -3.907) 7.936 4.706 ( -4.644 0.000 -2.617) 5.331 4.782 ( 2.139 -0.000 0.437) 2.183 5.010 ( 1.940 -0.000 8.558) 8.775 5.035 ( -0.358 0.000 -3.087) 3.107 5.230 ( -0.956 0.000 5.271) 5.357 5.256 ( -2.470 0.000 -2.696) 3.656 5.730 ( 4.094 -0.000 -5.081) 6.525 5.837 ( 1.534 -0.000 3.240) 3.585 6.016 ( 4.414 -0.000 18.227) 18.754 6.047 ( 1.443 -0.000 -3.522) 3.806 6.101 ( -1.045 0.000 5.956) 6.047 6.223 ( 0.164 -0.000 -9.085) 9.087 6.701 ( -3.091 0.000 -7.086) 7.731 6.734 ( -3.844 0.000 -0.509) 3.878 7.115 ( 3.169 -0.000 -3.649) 4.833 7.242 ( 0.460 -0.000 5.755) 5.773 7.418 ( -1.299 0.000 4.152) 4.351 7.532 ( -2.646 0.000 -6.663) 7.169 8.655 ( -0.309 0.000 3.083) 3.098 8.747 ( -1.890 0.000 -1.804) 2.613 8.974 ( 0.669 -0.000 -4.405) 4.455 9.071 ( -1.568 0.000 5.654) 5.867 9.460 ( 0.171 -0.000 1.324) 1.335 9.503 ( -1.089 0.000 -1.071) 1.527 10.668 ( 1.045 -0.000 0.163) 1.058 10.776 ( -0.736 0.000 -1.425) 1.603 11.247 ( 7.204 -0.000 -5.868) 9.292 11.404 ( 3.189 -0.000 6.131) 6.911 11.480 ( 0.253 -0.000 4.937) 4.943 11.622 ( -2.384 0.000 -3.595) 4.314 11.635 ( 2.934 -0.000 2.401) 3.791 11.783 ( -0.608 0.000 -2.592) 2.662 12.224 ( -2.757 0.000 -5.353) 6.021 12.259 ( -3.832 0.000 2.427) 4.536 ======================= Grid point 165 (87/89) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 2.559 1.109 -4.697) 5.463 1.722 ( -2.770 0.095 4.292) 5.109 2.053 ( 8.042 2.500 7.855) 11.516 2.175 ( -1.942 2.326 -8.640) 9.156 2.393 ( 7.993 1.117 1.525) 8.214 2.489 ( 0.703 3.063 -2.614) 4.087 2.600 ( 10.757 2.905 -0.352) 11.147 2.794 ( 1.528 -3.631 -5.391) 6.677 2.885 ( 7.436 -5.762 3.724) 10.117 3.006 ( -4.616 -1.465 0.778) 4.905 3.040 ( -6.510 -2.591 2.690) 7.505 3.129 ( -5.503 -9.559 2.217) 11.250 3.259 ( -0.838 -0.939 5.445) 5.589 3.339 ( -6.877 -4.413 -4.648) 9.400 3.504 ( 6.706 0.902 0.745) 6.807 3.612 ( 7.306 0.042 -4.113) 8.384 3.836 ( 2.500 0.583 1.142) 2.809 4.076 ( 0.876 2.618 0.459) 2.798 4.123 ( -2.622 0.844 -3.805) 4.697 4.184 ( -10.548 1.126 3.510) 11.173 4.741 ( 5.359 -3.038 -4.660) 7.725 4.815 ( 1.316 -1.067 0.341) 1.728 4.987 ( 1.084 2.943 -0.503) 3.176 5.049 ( -2.318 -0.513 4.000) 4.651 5.212 ( -1.804 -0.964 1.539) 2.560 5.243 ( -2.519 -3.240 -1.191) 4.273 5.771 ( 4.120 1.474 -4.955) 6.611 5.819 ( 0.399 4.778 7.229) 8.674 5.893 ( 2.305 11.010 4.684) 12.185 5.965 ( -2.985 10.215 -1.622) 10.765 6.199 ( 3.983 -5.475 6.733) 9.548 6.288 ( -1.935 -5.368 -6.925) 8.973 6.673 ( 0.021 -1.258 -0.503) 1.355 6.720 ( -2.947 -2.727 -2.799) 4.894 7.161 ( 3.521 -0.619 -3.328) 4.884 7.249 ( -2.914 -1.652 4.157) 5.339 7.401 ( 1.779 1.898 4.753) 5.418 7.474 ( -3.087 2.022 -5.769) 6.848 8.657 ( 1.356 0.511 2.120) 2.568 8.714 ( -2.436 0.541 -1.386) 2.855 8.983 ( 2.250 0.780 -3.871) 4.545 9.044 ( -2.152 0.493 4.396) 4.919 9.462 ( 0.930 0.256 0.912) 1.327 9.496 ( -1.502 -0.751 -0.837) 1.876 10.715 ( 2.332 -2.597 0.435) 3.517 10.781 ( -1.906 -2.740 -1.081) 3.508 11.306 ( 3.564 2.543 -3.797) 5.796 11.380 ( -1.986 3.628 2.330) 4.747 11.469 ( 3.288 3.763 3.837) 6.300 11.547 ( -1.374 3.021 -0.668) 3.385 11.715 ( 3.111 -2.843 2.385) 4.843 11.803 ( -2.744 -3.473 -3.310) 5.527 12.216 ( 0.106 -2.230 -3.806) 4.413 12.251 ( -2.440 -3.499 2.433) 4.911 ======================= Grid point 166 (88/89) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.362 1.009 -8.422) 8.490 1.667 ( -0.362 1.009 8.422) 8.490 2.083 ( -4.693 3.472 -6.049) 8.407 2.083 ( 4.693 3.472 6.049) 8.407 2.414 ( 1.395 4.723 -5.073) 7.070 2.414 ( -1.395 4.723 5.073) 7.070 2.724 ( -9.295 -0.206 0.899) 9.340 2.724 ( 9.295 -0.206 -0.899) 9.340 2.953 ( 2.098 0.951 -5.125) 5.619 2.953 ( -2.098 0.951 5.125) 5.619 3.185 ( 0.035 -4.641 -3.119) 5.592 3.185 ( -0.035 -4.641 3.119) 5.592 3.382 ( -2.681 -9.111 -4.872) 10.674 3.382 ( 2.681 -9.111 4.872) 10.674 3.579 ( 3.556 -0.317 -2.938) 4.624 3.579 ( -3.556 -0.317 2.938) 4.624 3.940 ( -8.578 4.722 1.262) 9.873 3.940 ( 8.578 4.722 -1.262) 9.873 4.094 ( -2.150 -0.373 -7.263) 7.584 4.094 ( 2.150 -0.373 7.263) 7.584 4.841 ( -1.470 -1.918 -6.278) 6.727 4.841 ( 1.470 -1.918 6.278) 6.727 4.970 ( -2.483 2.658 -3.761) 5.232 4.970 ( 2.483 2.658 3.761) 5.232 5.285 ( -0.185 -5.712 -5.555) 7.970 5.285 ( 0.185 -5.712 5.555) 7.970 5.690 ( -3.205 11.368 -11.836) 16.721 5.690 ( 3.205 11.368 11.836) 16.721 5.799 ( 4.191 3.244 -1.697) 5.565 5.799 ( -4.191 3.244 1.697) 5.565 6.312 ( -3.153 -2.204 -6.735) 7.756 6.312 ( 3.153 -2.204 6.735) 7.756 6.739 ( -2.304 -3.501 -3.906) 5.729 6.739 ( 2.304 -3.501 3.906) 5.729 7.219 ( 3.751 -0.350 -2.355) 4.443 7.219 ( -3.751 -0.350 2.355) 4.443 7.405 ( -2.166 1.259 -4.011) 4.729 7.405 ( 2.166 1.259 4.011) 4.729 8.673 ( -1.108 0.535 -1.981) 2.332 8.673 ( 1.108 0.535 1.981) 2.332 9.005 ( 1.864 0.366 -3.156) 3.684 9.005 ( -1.864 0.366 3.156) 3.684 9.483 ( -1.794 -0.437 -0.832) 2.025 9.483 ( 1.794 -0.437 0.832) 2.025 10.797 ( -3.515 -2.389 -1.759) 4.600 10.797 ( 3.515 -2.389 1.759) 4.600 11.270 ( -2.363 4.740 -0.005) 5.296 11.270 ( 2.363 4.740 0.005) 5.296 11.472 ( -0.282 2.011 -4.644) 5.069 11.472 ( 0.282 2.011 4.644) 5.069 11.804 ( -3.914 -2.065 -3.559) 5.679 11.804 ( 3.914 -2.065 3.559) 5.679 12.289 ( 0.735 -3.747 -5.687) 6.850 12.289 ( -0.735 -3.747 5.687) 6.850 ======================= Grid point 173 (89/89) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 2.944 -0.000 -5.678) 6.396 1.688 ( -2.944 0.000 5.678) 6.396 2.155 ( -4.459 0.000 -10.215) 11.146 2.155 ( 4.459 -0.000 10.215) 11.146 2.487 ( -4.526 0.000 -2.380) 5.114 2.487 ( 4.526 -0.000 2.380) 5.114 2.792 ( 2.147 -0.000 -4.316) 4.820 2.792 ( -2.147 0.000 4.316) 4.820 2.889 ( -8.031 0.000 -5.869) 9.947 2.889 ( 8.031 -0.000 5.869) 9.947 2.965 ( -0.041 0.000 -2.242) 2.243 2.965 ( 0.041 -0.000 2.242) 2.243 3.252 ( -1.874 0.000 -7.684) 7.909 3.252 ( 1.874 -0.000 7.684) 7.909 3.610 ( -7.083 0.000 -3.449) 7.878 3.610 ( 7.083 -0.000 3.449) 7.878 3.986 ( -18.165 0.000 3.617) 18.522 3.986 ( 18.165 -0.000 -3.617) 18.522 4.109 ( -1.098 0.000 -0.682) 1.293 4.109 ( 1.098 -0.000 0.682) 1.293 4.790 ( 4.072 -0.000 -4.491) 6.062 4.790 ( -4.072 0.000 4.491) 6.062 5.029 ( 0.936 -0.000 -3.183) 3.318 5.029 ( -0.936 0.000 3.183) 3.318 5.189 ( -0.886 0.000 -5.149) 5.225 5.189 ( 0.886 -0.000 5.149) 5.225 5.828 ( 2.727 -0.000 -4.688) 5.423 5.828 ( -2.727 0.000 4.688) 5.423 6.067 ( 0.351 -0.000 -3.648) 3.665 6.067 ( -0.351 0.000 3.648) 3.665 6.170 ( -4.155 0.000 -20.694) 21.107 6.170 ( 4.155 -0.000 20.694) 21.107 6.665 ( -0.863 0.000 -0.011) 0.863 6.665 ( 0.863 -0.000 0.011) 0.863 7.198 ( 3.223 -0.000 -4.152) 5.257 7.198 ( -3.223 0.000 4.152) 5.257 7.450 ( -2.990 0.000 -5.859) 6.578 7.450 ( 2.990 -0.000 5.859) 6.578 8.686 ( -2.326 0.000 -2.756) 3.607 8.686 ( 2.326 -0.000 2.756) 3.607 9.020 ( 2.447 -0.000 -4.936) 5.509 9.020 ( -2.447 0.000 4.936) 5.509 9.475 ( -0.917 0.000 -1.188) 1.500 9.475 ( 0.917 -0.000 1.188) 1.500 10.724 ( -2.815 0.000 0.037) 2.816 10.724 ( 2.815 -0.000 -0.037) 2.816 11.384 ( 3.184 -0.000 -4.308) 5.357 11.384 ( -3.184 0.000 4.308) 5.357 11.544 ( -2.868 0.000 -6.464) 7.071 11.544 ( 2.868 -0.000 6.464) 7.071 11.730 ( -3.459 0.000 -3.443) 4.880 11.730 ( 3.459 -0.000 3.443) 4.880 12.196 ( 0.868 -0.000 -5.981) 6.044 12.196 ( -0.868 0.000 5.981) 6.044 =================== 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 3/15552 10.0 743.343 634.935 613.658 -0.000 11.988 0.000 3/15552 20.0 136.518 145.457 87.715 -0.000 -4.068 0.000 3/15552 30.0 53.145 56.111 34.418 -0.000 -1.579 0.000 3/15552 40.0 29.177 30.330 19.229 -0.000 -0.834 0.000 3/15552 50.0 19.241 19.777 12.885 -0.000 -0.537 0.000 3/15552 60.0 14.120 14.416 9.601 -0.000 -0.386 0.000 3/15552 70.0 11.083 11.277 7.646 -0.000 -0.297 0.000 3/15552 80.0 9.100 9.246 6.364 -0.000 -0.238 0.000 3/15552 90.0 7.715 7.836 5.462 -0.000 -0.198 0.000 3/15552 100.0 6.696 6.802 4.792 -0.000 -0.168 0.000 3/15552 110.0 5.916 6.013 4.275 -0.000 -0.146 0.000 3/15552 120.0 5.302 5.392 3.863 -0.000 -0.128 0.000 3/15552 130.0 4.805 4.890 3.527 -0.000 -0.114 0.000 3/15552 140.0 4.395 4.476 3.246 -0.000 -0.103 0.000 3/15552 150.0 4.052 4.128 3.009 -0.000 -0.093 0.000 3/15552 160.0 3.759 3.832 2.805 -0.000 -0.085 0.000 3/15552 170.0 3.508 3.577 2.628 -0.000 -0.079 0.000 3/15552 180.0 3.288 3.355 2.473 -0.000 -0.073 0.000 3/15552 190.0 3.095 3.159 2.335 -0.000 -0.068 0.000 3/15552 200.0 2.924 2.986 2.213 -0.000 -0.064 0.000 3/15552 210.0 2.772 2.831 2.103 -0.000 -0.060 0.000 3/15552 220.0 2.635 2.692 2.004 -0.000 -0.056 0.000 3/15552 230.0 2.511 2.566 1.913 -0.000 -0.053 0.000 3/15552 240.0 2.399 2.452 1.831 -0.000 -0.051 0.000 3/15552 250.0 2.296 2.348 1.756 -0.000 -0.048 0.000 3/15552 260.0 2.203 2.252 1.686 -0.000 -0.046 0.000 3/15552 270.0 2.116 2.164 1.622 -0.000 -0.044 0.000 3/15552 280.0 2.036 2.083 1.563 -0.000 -0.042 0.000 3/15552 290.0 1.963 2.008 1.508 -0.000 -0.040 0.000 3/15552 300.0 1.894 1.938 1.457 -0.000 -0.039 0.000 3/15552 310.0 1.830 1.873 1.409 -0.000 -0.037 0.000 3/15552 320.0 1.771 1.812 1.364 -0.000 -0.036 0.000 3/15552 330.0 1.715 1.755 1.322 -0.000 -0.035 0.000 3/15552 340.0 1.663 1.702 1.283 -0.000 -0.033 0.000 3/15552 350.0 1.613 1.652 1.246 -0.000 -0.032 0.000 3/15552 360.0 1.567 1.604 1.211 -0.000 -0.031 0.000 3/15552 370.0 1.523 1.560 1.178 -0.000 -0.030 0.000 3/15552 380.0 1.482 1.518 1.146 -0.000 -0.029 0.000 3/15552 390.0 1.443 1.478 1.117 -0.000 -0.029 0.000 3/15552 400.0 1.406 1.440 1.089 -0.000 -0.028 0.000 3/15552 410.0 1.371 1.404 1.062 -0.000 -0.027 0.000 3/15552 420.0 1.337 1.370 1.036 -0.000 -0.026 0.000 3/15552 430.0 1.306 1.337 1.012 -0.000 -0.026 0.000 3/15552 440.0 1.275 1.306 0.989 -0.000 -0.025 0.000 3/15552 450.0 1.246 1.277 0.967 -0.000 -0.024 0.000 3/15552 460.0 1.219 1.248 0.946 -0.000 -0.024 0.000 3/15552 470.0 1.192 1.221 0.925 -0.000 -0.023 0.000 3/15552 480.0 1.167 1.195 0.906 -0.000 -0.023 0.000 3/15552 490.0 1.143 1.171 0.887 -0.000 -0.022 0.000 3/15552 500.0 1.119 1.147 0.869 -0.000 -0.022 0.000 3/15552 510.0 1.097 1.124 0.852 -0.000 -0.021 0.000 3/15552 520.0 1.076 1.102 0.836 -0.000 -0.021 0.000 3/15552 530.0 1.055 1.081 0.820 -0.000 -0.021 0.000 3/15552 540.0 1.035 1.061 0.805 -0.000 -0.020 0.000 3/15552 550.0 1.016 1.041 0.790 -0.000 -0.020 0.000 3/15552 560.0 0.998 1.022 0.776 -0.000 -0.019 0.000 3/15552 570.0 0.980 1.004 0.762 -0.000 -0.019 0.000 3/15552 580.0 0.963 0.987 0.749 -0.000 -0.019 0.000 3/15552 590.0 0.946 0.970 0.736 -0.000 -0.018 0.000 3/15552 600.0 0.931 0.953 0.724 -0.000 -0.018 0.000 3/15552 610.0 0.915 0.938 0.712 -0.000 -0.018 0.000 3/15552 620.0 0.900 0.922 0.701 -0.000 -0.017 0.000 3/15552 630.0 0.886 0.908 0.689 -0.000 -0.017 0.000 3/15552 640.0 0.872 0.893 0.679 -0.000 -0.017 0.000 3/15552 650.0 0.858 0.879 0.668 -0.000 -0.017 0.000 3/15552 660.0 0.845 0.866 0.658 -0.000 -0.016 0.000 3/15552 670.0 0.832 0.853 0.648 -0.000 -0.016 0.000 3/15552 680.0 0.820 0.840 0.639 -0.000 -0.016 0.000 3/15552 690.0 0.808 0.828 0.629 -0.000 -0.016 0.000 3/15552 700.0 0.796 0.816 0.620 -0.000 -0.015 0.000 3/15552 710.0 0.785 0.805 0.612 -0.000 -0.015 0.000 3/15552 720.0 0.774 0.793 0.603 -0.000 -0.015 0.000 3/15552 730.0 0.763 0.782 0.595 -0.000 -0.015 0.000 3/15552 740.0 0.753 0.772 0.587 -0.000 -0.014 0.000 3/15552 750.0 0.743 0.761 0.579 -0.000 -0.014 0.000 3/15552 760.0 0.733 0.751 0.571 -0.000 -0.014 0.000 3/15552 770.0 0.723 0.741 0.564 -0.000 -0.014 0.000 3/15552 780.0 0.714 0.732 0.557 -0.000 -0.014 0.000 3/15552 790.0 0.705 0.723 0.549 -0.000 -0.014 0.000 3/15552 800.0 0.696 0.713 0.543 -0.000 -0.013 0.000 3/15552 810.0 0.688 0.705 0.536 -0.000 -0.013 0.000 3/15552 820.0 0.679 0.696 0.529 -0.000 -0.013 0.000 3/15552 830.0 0.671 0.688 0.523 -0.000 -0.013 0.000 3/15552 840.0 0.663 0.679 0.517 -0.000 -0.013 0.000 3/15552 850.0 0.655 0.671 0.511 -0.000 -0.013 0.000 3/15552 860.0 0.647 0.663 0.505 -0.000 -0.012 0.000 3/15552 870.0 0.640 0.656 0.499 -0.000 -0.012 0.000 3/15552 880.0 0.633 0.648 0.493 -0.000 -0.012 0.000 3/15552 890.0 0.625 0.641 0.488 -0.000 -0.012 0.000 3/15552 900.0 0.618 0.634 0.482 -0.000 -0.012 0.000 3/15552 910.0 0.612 0.627 0.477 -0.000 -0.012 0.000 3/15552 920.0 0.605 0.620 0.472 -0.000 -0.012 0.000 3/15552 930.0 0.598 0.613 0.467 -0.000 -0.011 0.000 3/15552 940.0 0.592 0.607 0.462 -0.000 -0.011 0.000 3/15552 950.0 0.586 0.600 0.457 -0.000 -0.011 0.000 3/15552 960.0 0.580 0.594 0.452 -0.000 -0.011 0.000 3/15552 970.0 0.574 0.588 0.447 -0.000 -0.011 0.000 3/15552 980.0 0.568 0.582 0.443 -0.000 -0.011 0.000 3/15552 990.0 0.562 0.576 0.438 -0.000 -0.011 0.000 3/15552 1000.0 0.556 0.570 0.434 -0.000 -0.011 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m668.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:37:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|