# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/fccd8621-e37d-4a7a-b1be-c721a6c5223b/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for K2Ca(CO3)2 / R-3m (166) / materials id 6494](https://mdr.nims.go.jp/datasets/a74b67d7-5e72-43c6-8d97-45812202b82b) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 21:43:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 144------------------------------ primitive cell ------------------------------Lattice vectors: a 2.696554529709881 1.556856483612501 6.009727169999994 b -2.696554529709875 1.556856483612501 6.009727169999994 c 0.000000000000003 -3.113712967225007 6.009727169999994Atomic positions (fractional): *1 C 0.41142712532569 0.41142712532569 0.41142712532569 12.011 2 C 0.58857287467431 0.58857287467431 0.58857287467431 12.011 *3 O 0.31053590724739 0.72694003189090 0.72694003189090 15.999 4 O 0.72694003189090 0.31053590724740 0.72694003189090 15.999 5 O 0.72694003189090 0.72694003189090 0.31053590724739 15.999 6 O 0.27305996810910 0.27305996810910 0.68946409275261 15.999 7 O 0.27305996810910 0.68946409275260 0.27305996810910 15.999 8 O 0.68946409275261 0.27305996810910 0.27305996810910 15.999 *9 K 0.79022136689818 0.79022136689818 0.79022136689818 39.098 10 K 0.20977863310182 0.20977863310182 0.20977863310182 39.098 *11 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.393109059419756 0.000000000000000 0.000000000000000 b -2.696554529709878 4.670569450837508 0.000000000000000 c 0.000000000000000 0.000000000000000 18.029181510000001Atomic positions (fractional): *1 C 0.33333333333333 0.66666666666667 0.07809379199236 12.011 > 1 2 C 0.33333333333333 0.66666666666667 0.25523954134097 12.011 > 2 3 C 0.00000000000000 0.00000000000000 0.41142712532569 12.011 > 1 4 C 0.00000000000000 0.00000000000000 0.58857287467431 12.011 > 2 5 C 0.66666666666667 0.33333333333333 0.74476045865903 12.011 > 1 6 C 0.66666666666667 0.33333333333333 0.92190620800764 12.011 > 2 *7 O 0.05573058357100 0.52786529178550 0.25480532367640 15.999 > 3 8 O 0.47213470821450 0.52786529178550 0.25480532367640 15.999 > 4 9 O 0.47213470821450 0.94426941642900 0.25480532367640 15.999 > 5 10 O 0.19453195845217 0.38906391690433 0.07852800965693 15.999 > 6 11 O 0.19453195845217 0.80546804154784 0.07852800965693 15.999 > 7 12 O 0.61093608309567 0.80546804154784 0.07852800965693 15.999 > 8 13 O 0.72239725023766 0.86119862511883 0.58813865700973 15.999 > 3 14 O 0.13880137488117 0.86119862511883 0.58813865700973 15.999 > 4 15 O 0.13880137488117 0.27760274976234 0.58813865700973 15.999 > 5 16 O 0.86119862511883 0.72239725023766 0.41186134299027 15.999 > 6 17 O 0.86119862511883 0.13880137488117 0.41186134299027 15.999 > 7 18 O 0.27760274976234 0.13880137488117 0.41186134299027 15.999 > 8 19 O 0.38906391690433 0.19453195845217 0.92147199034307 15.999 > 3 20 O 0.80546804154784 0.19453195845217 0.92147199034307 15.999 > 4 21 O 0.80546804154784 0.61093608309567 0.92147199034307 15.999 > 5 22 O 0.52786529178550 0.05573058357100 0.74519467632360 15.999 > 6 23 O 0.52786529178550 0.47213470821450 0.74519467632360 15.999 > 7 24 O 0.94426941642900 0.47213470821450 0.74519467632360 15.999 > 8 *25 K 0.66666666666667 0.33333333333333 0.12355470023152 39.098 > 9 26 K 0.00000000000000 0.00000000000000 0.20977863310182 39.098 > 10 27 K 0.33333333333333 0.66666666666667 0.45688803356485 39.098 > 9 28 K 0.66666666666667 0.33333333333333 0.54311196643515 39.098 > 10 29 K 0.00000000000000 0.00000000000000 0.79022136689818 39.098 > 9 30 K 0.33333333333333 0.66666666666667 0.87644529976848 39.098 > 10 *31 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 11 32 Ca 0.66666666666667 0.33333333333333 0.33333333333333 40.078 > 11 33 Ca 0.33333333333333 0.66666666666667 0.66666666666667 40.078 > 11-------------------------------- super cell --------------------------------Lattice vectors: a 10.786218118839512 0.000000000000000 0.000000000000000 b -5.393109059419756 9.341138901675016 0.000000000000000 c 0.000000000000000 0.000000000000000 18.029181510000001Atomic positions (fractional): *1 C 0.16666666666667 0.33333333333333 0.07809379199236 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.07809379199236 12.011 > 1 3 C 0.16666666666667 0.83333333333333 0.07809379199236 12.011 > 1 4 C 0.66666666666667 0.83333333333333 0.07809379199236 12.011 > 1 5 C 0.16666666666667 0.33333333333333 0.25523954134097 12.011 > 2 6 C 0.66666666666667 0.33333333333333 0.25523954134097 12.011 > 2 7 C 0.16666666666667 0.83333333333333 0.25523954134097 12.011 > 2 8 C 0.66666666666667 0.83333333333333 0.25523954134097 12.011 > 2 9 C 0.00000000000000 0.00000000000000 0.41142712532569 12.011 > 1 10 C 0.50000000000000 0.00000000000000 0.41142712532569 12.011 > 1 11 C 0.00000000000000 0.50000000000000 0.41142712532569 12.011 > 1 12 C 0.50000000000000 0.50000000000000 0.41142712532569 12.011 > 1 13 C 0.00000000000000 0.00000000000000 0.58857287467431 12.011 > 2 14 C 0.50000000000000 0.00000000000000 0.58857287467431 12.011 > 2 15 C 0.00000000000000 0.50000000000000 0.58857287467431 12.011 > 2 16 C 0.50000000000000 0.50000000000000 0.58857287467431 12.011 > 2 17 C 0.33333333333333 0.16666666666667 0.74476045865903 12.011 > 1 18 C 0.83333333333333 0.16666666666667 0.74476045865903 12.011 > 1 19 C 0.33333333333333 0.66666666666667 0.74476045865903 12.011 > 1 20 C 0.83333333333333 0.66666666666667 0.74476045865903 12.011 > 1 21 C 0.33333333333333 0.16666666666667 0.92190620800764 12.011 > 2 22 C 0.83333333333333 0.16666666666667 0.92190620800764 12.011 > 2 23 C 0.33333333333333 0.66666666666667 0.92190620800764 12.011 > 2 24 C 0.83333333333333 0.66666666666667 0.92190620800764 12.011 > 2 *25 O 0.02786529178550 0.26393264589275 0.25480532367640 15.999 > 3 26 O 0.52786529178550 0.26393264589275 0.25480532367640 15.999 > 3 27 O 0.02786529178550 0.76393264589275 0.25480532367640 15.999 > 3 28 O 0.52786529178550 0.76393264589275 0.25480532367640 15.999 > 3 29 O 0.23606735410725 0.26393264589275 0.25480532367640 15.999 > 4 30 O 0.73606735410725 0.26393264589275 0.25480532367640 15.999 > 4 31 O 0.23606735410725 0.76393264589275 0.25480532367640 15.999 > 4 32 O 0.73606735410725 0.76393264589275 0.25480532367640 15.999 > 4 33 O 0.23606735410725 0.47213470821450 0.25480532367640 15.999 > 5 34 O 0.73606735410725 0.47213470821450 0.25480532367640 15.999 > 5 35 O 0.23606735410725 0.97213470821450 0.25480532367640 15.999 > 5 36 O 0.73606735410725 0.97213470821450 0.25480532367640 15.999 > 5 37 O 0.09726597922608 0.19453195845216 0.07852800965693 15.999 > 6 38 O 0.59726597922608 0.19453195845216 0.07852800965693 15.999 > 6 39 O 0.09726597922608 0.69453195845216 0.07852800965693 15.999 > 6 40 O 0.59726597922608 0.69453195845216 0.07852800965693 15.999 > 6 41 O 0.09726597922608 0.40273402077392 0.07852800965693 15.999 > 7 42 O 0.59726597922608 0.40273402077392 0.07852800965693 15.999 > 7 43 O 0.09726597922608 0.90273402077392 0.07852800965693 15.999 > 7 44 O 0.59726597922608 0.90273402077392 0.07852800965693 15.999 > 7 45 O 0.30546804154784 0.40273402077392 0.07852800965693 15.999 > 8 46 O 0.80546804154784 0.40273402077392 0.07852800965693 15.999 > 8 47 O 0.30546804154784 0.90273402077392 0.07852800965693 15.999 > 8 48 O 0.80546804154784 0.90273402077392 0.07852800965693 15.999 > 8 49 O 0.36119862511883 0.43059931255942 0.58813865700973 15.999 > 3 50 O 0.86119862511883 0.43059931255942 0.58813865700973 15.999 > 3 51 O 0.36119862511883 0.93059931255942 0.58813865700973 15.999 > 3 52 O 0.86119862511883 0.93059931255942 0.58813865700973 15.999 > 3 53 O 0.06940068744058 0.43059931255942 0.58813865700973 15.999 > 4 54 O 0.56940068744058 0.43059931255942 0.58813865700973 15.999 > 4 55 O 0.06940068744058 0.93059931255942 0.58813865700973 15.999 > 4 56 O 0.56940068744058 0.93059931255942 0.58813865700973 15.999 > 4 57 O 0.06940068744058 0.13880137488117 0.58813865700973 15.999 > 5 58 O 0.56940068744058 0.13880137488117 0.58813865700973 15.999 > 5 59 O 0.06940068744058 0.63880137488117 0.58813865700973 15.999 > 5 60 O 0.56940068744058 0.63880137488117 0.58813865700973 15.999 > 5 61 O 0.43059931255942 0.36119862511883 0.41186134299027 15.999 > 6 62 O 0.93059931255942 0.36119862511883 0.41186134299027 15.999 > 6 63 O 0.43059931255942 0.86119862511883 0.41186134299027 15.999 > 6 64 O 0.93059931255942 0.86119862511883 0.41186134299027 15.999 > 6 65 O 0.43059931255942 0.06940068744058 0.41186134299027 15.999 > 7 66 O 0.93059931255942 0.06940068744058 0.41186134299027 15.999 > 7 67 O 0.43059931255942 0.56940068744058 0.41186134299027 15.999 > 7 68 O 0.93059931255942 0.56940068744058 0.41186134299027 15.999 > 7 69 O 0.13880137488117 0.06940068744058 0.41186134299027 15.999 > 8 70 O 0.63880137488117 0.06940068744058 0.41186134299027 15.999 > 8 71 O 0.13880137488117 0.56940068744058 0.41186134299027 15.999 > 8 72 O 0.63880137488117 0.56940068744058 0.41186134299027 15.999 > 8 73 O 0.19453195845216 0.09726597922608 0.92147199034307 15.999 > 3 74 O 0.69453195845216 0.09726597922608 0.92147199034307 15.999 > 3 75 O 0.19453195845216 0.59726597922608 0.92147199034307 15.999 > 3 76 O 0.69453195845216 0.59726597922608 0.92147199034307 15.999 > 3 77 O 0.40273402077392 0.09726597922608 0.92147199034307 15.999 > 4 78 O 0.90273402077392 0.09726597922608 0.92147199034307 15.999 > 4 79 O 0.40273402077392 0.59726597922608 0.92147199034307 15.999 > 4 80 O 0.90273402077392 0.59726597922608 0.92147199034307 15.999 > 4 81 O 0.40273402077392 0.30546804154784 0.92147199034307 15.999 > 5 82 O 0.90273402077392 0.30546804154784 0.92147199034307 15.999 > 5 83 O 0.40273402077392 0.80546804154784 0.92147199034307 15.999 > 5 84 O 0.90273402077392 0.80546804154784 0.92147199034307 15.999 > 5 85 O 0.26393264589275 0.02786529178550 0.74519467632360 15.999 > 6 86 O 0.76393264589275 0.02786529178550 0.74519467632360 15.999 > 6 87 O 0.26393264589275 0.52786529178550 0.74519467632360 15.999 > 6 88 O 0.76393264589275 0.52786529178550 0.74519467632360 15.999 > 6 89 O 0.26393264589275 0.23606735410725 0.74519467632360 15.999 > 7 90 O 0.76393264589275 0.23606735410725 0.74519467632360 15.999 > 7 91 O 0.26393264589275 0.73606735410725 0.74519467632360 15.999 > 7 92 O 0.76393264589275 0.73606735410725 0.74519467632360 15.999 > 7 93 O 0.47213470821450 0.23606735410725 0.74519467632360 15.999 > 8 94 O 0.97213470821450 0.23606735410725 0.74519467632360 15.999 > 8 95 O 0.47213470821450 0.73606735410725 0.74519467632360 15.999 > 8 96 O 0.97213470821450 0.73606735410725 0.74519467632360 15.999 > 8 *97 K 0.33333333333333 0.16666666666667 0.12355470023152 39.098 > 9 98 K 0.83333333333333 0.16666666666667 0.12355470023152 39.098 > 9 99 K 0.33333333333333 0.66666666666667 0.12355470023152 39.098 > 9 100 K 0.83333333333333 0.66666666666667 0.12355470023152 39.098 > 9 101 K 0.00000000000000 0.00000000000000 0.20977863310182 39.098 > 10 102 K 0.50000000000000 0.00000000000000 0.20977863310182 39.098 > 10 103 K 0.00000000000000 0.50000000000000 0.20977863310182 39.098 > 10 104 K 0.50000000000000 0.50000000000000 0.20977863310182 39.098 > 10 105 K 0.16666666666667 0.33333333333333 0.45688803356485 39.098 > 9 106 K 0.66666666666667 0.33333333333333 0.45688803356485 39.098 > 9 107 K 0.16666666666667 0.83333333333333 0.45688803356485 39.098 > 9 108 K 0.66666666666667 0.83333333333333 0.45688803356485 39.098 > 9 109 K 0.33333333333333 0.16666666666667 0.54311196643515 39.098 > 10 110 K 0.83333333333333 0.16666666666667 0.54311196643515 39.098 > 10 111 K 0.33333333333333 0.66666666666667 0.54311196643515 39.098 > 10 112 K 0.83333333333333 0.66666666666667 0.54311196643515 39.098 > 10 113 K 0.00000000000000 0.00000000000000 0.79022136689818 39.098 > 9 114 K 0.50000000000000 0.00000000000000 0.79022136689818 39.098 > 9 115 K 0.00000000000000 0.50000000000000 0.79022136689818 39.098 > 9 116 K 0.50000000000000 0.50000000000000 0.79022136689818 39.098 > 9 117 K 0.16666666666667 0.33333333333333 0.87644529976848 39.098 > 10 118 K 0.66666666666667 0.33333333333333 0.87644529976848 39.098 > 10 119 K 0.16666666666667 0.83333333333333 0.87644529976848 39.098 > 10 120 K 0.66666666666667 0.83333333333333 0.87644529976848 39.098 > 10 *121 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 11 122 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 11 123 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 11 124 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 11 125 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 11 126 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 11 127 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 11 128 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 11 129 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 11 130 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 11 131 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 11 132 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 11----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.7978318 -0.0000000 0.0000000 0.0000000 2.7978318 0.0000000 0.0000000 0.0000000 2.2239639-------------------------- Born effective charges -------------------------- 1 C 3.1699647 -0.0000000 -0.0000000 0.0000000 3.1699647 -0.0000000 0.0000000 -0.0000000 0.2333402 2 C 3.1699647 -0.0000000 -0.0000000 0.0000000 3.1699647 -0.0000000 0.0000000 -0.0000000 0.2333402 3 O -2.3347168 -0.6921711 0.2013622 -0.6921711 -1.5354664 0.1162565 0.1056528 0.0609987 -0.8450031 4 O -2.3347168 0.6921711 -0.2013622 0.6921711 -1.5354664 0.1162565 -0.1056528 0.0609987 -0.8450031 5 O -1.1358412 0.0000000 0.0000000 0.0000000 -2.7343420 -0.2325130 0.0000000 -0.1219973 -0.8450031 6 O -1.1358412 0.0000000 0.0000000 0.0000000 -2.7343420 -0.2325130 0.0000000 -0.1219973 -0.8450031 7 O -2.3347168 0.6921711 -0.2013622 0.6921711 -1.5354664 0.1162565 -0.1056528 0.0609987 -0.8450031 8 O -2.3347168 -0.6921711 0.2013622 -0.6921711 -1.5354664 0.1162565 0.1056528 0.0609987 -0.8450031 9 K 1.2466734 -0.0000000 -0.0000000 0.0000000 1.2466734 -0.0000000 0.0000000 -0.0000000 1.1240106 10 K 1.2466734 -0.0000000 -0.0000000 0.0000000 1.2466734 -0.0000000 0.0000000 -0.0000000 1.1240106 11 Ca 2.7772733 -0.0000000 -0.0000000 0.0000000 2.7772733 -0.0000000 0.0000000 -0.0000000 2.3553173----------------------------------------------------------------------------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: 396/396Permutation basis: 8286/8286Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 638Number of blocks in projector: 462Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 9--- Eigsh_solver_block: 1 / 9 ---Block_size: 284Use standard eigh solver.--- Eigsh_solver_block: 2 / 9 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 3 / 9 ---Block_size: 124Use standard eigh solver.--- Eigsh_solver_block: 4 / 9 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 5 / 9 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 6 / 9 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 7 / 9 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 8 / 9 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 9 / 9 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (638, 627), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (124, 120), data: True|-- (224, 222), data: True|-- (284, 279), data: True-----Solver_atoms: 1 -- 132 / 132Time (Solver_compr_matrix_reshape): 0.043Solver_block: 100 / 160 - Time: 0.644Solver_block: 160 / 160 - Time: 0.446Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.213--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 396/396Permutation basis: 8286/8286Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 638Number of blocks in projector: 462Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 9--- Eigsh_solver_block: 1 / 9 ---Block_size: 284Use standard eigh solver.--- Eigsh_solver_block: 2 / 9 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 3 / 9 ---Block_size: 124Use standard eigh solver.--- Eigsh_solver_block: 4 / 9 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 5 / 9 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 6 / 9 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 7 / 9 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 8 / 9 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 9 / 9 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (638, 627), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (124, 120), data: True|-- (224, 222), data: True|-- (284, 279), data: TrueMax 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 21:43:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 21:43:32]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.696554529709881 1.556856483612501 6.009727169999994 b -2.696554529709875 1.556856483612501 6.009727169999994 c 0.000000000000003 -3.113712967225007 6.009727169999994Atomic positions (fractional): 1 C 0.41142712532569 0.41142712532569 0.41142712532569 12.011 2 C 0.58857287467431 0.58857287467431 0.58857287467431 12.011 3 O 0.31053590724739 0.72694003189090 0.72694003189090 15.999 4 O 0.72694003189090 0.31053590724740 0.72694003189090 15.999 5 O 0.72694003189090 0.72694003189090 0.31053590724739 15.999 6 O 0.27305996810910 0.27305996810910 0.68946409275261 15.999 7 O 0.27305996810910 0.68946409275260 0.27305996810910 15.999 8 O 0.68946409275261 0.27305996810910 0.27305996810910 15.999 9 K 0.79022136689818 0.79022136689818 0.79022136689818 39.098 10 K 0.20977863310182 0.20977863310182 0.20977863310182 39.098 11 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078-------------------------------- supercell ---------------------------------Lattice vectors: a 10.786218118839512 0.000000000000000 0.000000000000000 b -5.393109059419756 9.341138901675016 0.000000000000000 c 0.000000000000000 0.000000000000000 18.029181510000001Atomic positions (fractional): 1 C 0.16666666666667 0.33333333333333 0.07809379199236 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.07809379199236 12.011 > 1 3 C 0.16666666666667 0.83333333333333 0.07809379199236 12.011 > 1 4 C 0.66666666666667 0.83333333333333 0.07809379199236 12.011 > 1 5 C 0.16666666666667 0.33333333333333 0.25523954134097 12.011 > 5 6 C 0.66666666666667 0.33333333333333 0.25523954134097 12.011 > 5 7 C 0.16666666666667 0.83333333333333 0.25523954134097 12.011 > 5 8 C 0.66666666666667 0.83333333333333 0.25523954134097 12.011 > 5 9 C 0.00000000000000 0.00000000000000 0.41142712532569 12.011 > 1 10 C 0.50000000000000 0.00000000000000 0.41142712532569 12.011 > 1 11 C 0.00000000000000 0.50000000000000 0.41142712532569 12.011 > 1 12 C 0.50000000000000 0.50000000000000 0.41142712532569 12.011 > 1 13 C 0.00000000000000 0.00000000000000 0.58857287467431 12.011 > 5 14 C 0.50000000000000 0.00000000000000 0.58857287467431 12.011 > 5 15 C 0.00000000000000 0.50000000000000 0.58857287467431 12.011 > 5 16 C 0.50000000000000 0.50000000000000 0.58857287467431 12.011 > 5 17 C 0.33333333333333 0.16666666666667 0.74476045865903 12.011 > 1 18 C 0.83333333333333 0.16666666666667 0.74476045865903 12.011 > 1 19 C 0.33333333333333 0.66666666666667 0.74476045865903 12.011 > 1 20 C 0.83333333333333 0.66666666666667 0.74476045865903 12.011 > 1 21 C 0.33333333333333 0.16666666666667 0.92190620800764 12.011 > 5 22 C 0.83333333333333 0.16666666666667 0.92190620800764 12.011 > 5 23 C 0.33333333333333 0.66666666666667 0.92190620800764 12.011 > 5 24 C 0.83333333333333 0.66666666666667 0.92190620800764 12.011 > 5 25 O 0.02786529178550 0.26393264589275 0.25480532367640 15.999 > 25 26 O 0.52786529178550 0.26393264589275 0.25480532367640 15.999 > 25 27 O 0.02786529178550 0.76393264589275 0.25480532367640 15.999 > 25 28 O 0.52786529178550 0.76393264589275 0.25480532367640 15.999 > 25 29 O 0.23606735410725 0.26393264589275 0.25480532367640 15.999 > 29 30 O 0.73606735410725 0.26393264589275 0.25480532367640 15.999 > 29 31 O 0.23606735410725 0.76393264589275 0.25480532367640 15.999 > 29 32 O 0.73606735410725 0.76393264589275 0.25480532367640 15.999 > 29 33 O 0.23606735410725 0.47213470821450 0.25480532367640 15.999 > 33 34 O 0.73606735410725 0.47213470821450 0.25480532367640 15.999 > 33 35 O 0.23606735410725 0.97213470821450 0.25480532367640 15.999 > 33 36 O 0.73606735410725 0.97213470821450 0.25480532367640 15.999 > 33 37 O 0.09726597922608 0.19453195845216 0.07852800965693 15.999 > 37 38 O 0.59726597922608 0.19453195845216 0.07852800965693 15.999 > 37 39 O 0.09726597922608 0.69453195845216 0.07852800965693 15.999 > 37 40 O 0.59726597922608 0.69453195845216 0.07852800965693 15.999 > 37 41 O 0.09726597922608 0.40273402077392 0.07852800965693 15.999 > 41 42 O 0.59726597922608 0.40273402077392 0.07852800965693 15.999 > 41 43 O 0.09726597922608 0.90273402077392 0.07852800965693 15.999 > 41 44 O 0.59726597922608 0.90273402077392 0.07852800965693 15.999 > 41 45 O 0.30546804154784 0.40273402077392 0.07852800965693 15.999 > 45 46 O 0.80546804154784 0.40273402077392 0.07852800965693 15.999 > 45 47 O 0.30546804154784 0.90273402077392 0.07852800965693 15.999 > 45 48 O 0.80546804154784 0.90273402077392 0.07852800965693 15.999 > 45 49 O 0.36119862511883 0.43059931255942 0.58813865700973 15.999 > 25 50 O 0.86119862511883 0.43059931255942 0.58813865700973 15.999 > 25 51 O 0.36119862511883 0.93059931255942 0.58813865700973 15.999 > 25 52 O 0.86119862511883 0.93059931255942 0.58813865700973 15.999 > 25 53 O 0.06940068744058 0.43059931255942 0.58813865700973 15.999 > 29 54 O 0.56940068744058 0.43059931255942 0.58813865700973 15.999 > 29 55 O 0.06940068744058 0.93059931255942 0.58813865700973 15.999 > 29 56 O 0.56940068744058 0.93059931255942 0.58813865700973 15.999 > 29 57 O 0.06940068744058 0.13880137488117 0.58813865700973 15.999 > 33 58 O 0.56940068744058 0.13880137488117 0.58813865700973 15.999 > 33 59 O 0.06940068744058 0.63880137488117 0.58813865700973 15.999 > 33 60 O 0.56940068744058 0.63880137488117 0.58813865700973 15.999 > 33 61 O 0.43059931255942 0.36119862511883 0.41186134299027 15.999 > 37 62 O 0.93059931255942 0.36119862511883 0.41186134299027 15.999 > 37 63 O 0.43059931255942 0.86119862511883 0.41186134299027 15.999 > 37 64 O 0.93059931255942 0.86119862511883 0.41186134299027 15.999 > 37 65 O 0.43059931255942 0.06940068744058 0.41186134299027 15.999 > 41 66 O 0.93059931255942 0.06940068744058 0.41186134299027 15.999 > 41 67 O 0.43059931255942 0.56940068744058 0.41186134299027 15.999 > 41 68 O 0.93059931255942 0.56940068744058 0.41186134299027 15.999 > 41 69 O 0.13880137488117 0.06940068744058 0.41186134299027 15.999 > 45 70 O 0.63880137488117 0.06940068744058 0.41186134299027 15.999 > 45 71 O 0.13880137488117 0.56940068744058 0.41186134299027 15.999 > 45 72 O 0.63880137488117 0.56940068744058 0.41186134299027 15.999 > 45 73 O 0.19453195845216 0.09726597922608 0.92147199034307 15.999 > 25 74 O 0.69453195845216 0.09726597922608 0.92147199034307 15.999 > 25 75 O 0.19453195845216 0.59726597922608 0.92147199034307 15.999 > 25 76 O 0.69453195845216 0.59726597922608 0.92147199034307 15.999 > 25 77 O 0.40273402077392 0.09726597922608 0.92147199034307 15.999 > 29 78 O 0.90273402077392 0.09726597922608 0.92147199034307 15.999 > 29 79 O 0.40273402077392 0.59726597922608 0.92147199034307 15.999 > 29 80 O 0.90273402077392 0.59726597922608 0.92147199034307 15.999 > 29 81 O 0.40273402077392 0.30546804154784 0.92147199034307 15.999 > 33 82 O 0.90273402077392 0.30546804154784 0.92147199034307 15.999 > 33 83 O 0.40273402077392 0.80546804154784 0.92147199034307 15.999 > 33 84 O 0.90273402077392 0.80546804154784 0.92147199034307 15.999 > 33 85 O 0.26393264589275 0.02786529178550 0.74519467632360 15.999 > 37 86 O 0.76393264589275 0.02786529178550 0.74519467632360 15.999 > 37 87 O 0.26393264589275 0.52786529178550 0.74519467632360 15.999 > 37 88 O 0.76393264589275 0.52786529178550 0.74519467632360 15.999 > 37 89 O 0.26393264589275 0.23606735410725 0.74519467632360 15.999 > 41 90 O 0.76393264589275 0.23606735410725 0.74519467632360 15.999 > 41 91 O 0.26393264589275 0.73606735410725 0.74519467632360 15.999 > 41 92 O 0.76393264589275 0.73606735410725 0.74519467632360 15.999 > 41 93 O 0.47213470821450 0.23606735410725 0.74519467632360 15.999 > 45 94 O 0.97213470821450 0.23606735410725 0.74519467632360 15.999 > 45 95 O 0.47213470821450 0.73606735410725 0.74519467632360 15.999 > 45 96 O 0.97213470821450 0.73606735410725 0.74519467632360 15.999 > 45 97 K 0.33333333333333 0.16666666666667 0.12355470023152 39.098 > 97 98 K 0.83333333333333 0.16666666666667 0.12355470023152 39.098 > 97 99 K 0.33333333333333 0.66666666666667 0.12355470023152 39.098 > 97 100 K 0.83333333333333 0.66666666666667 0.12355470023152 39.098 > 97 101 K 0.00000000000000 0.00000000000000 0.20977863310182 39.098 > 101 102 K 0.50000000000000 0.00000000000000 0.20977863310182 39.098 > 101 103 K 0.00000000000000 0.50000000000000 0.20977863310182 39.098 > 101 104 K 0.50000000000000 0.50000000000000 0.20977863310182 39.098 > 101 105 K 0.16666666666667 0.33333333333333 0.45688803356485 39.098 > 97 106 K 0.66666666666667 0.33333333333333 0.45688803356485 39.098 > 97 107 K 0.16666666666667 0.83333333333333 0.45688803356485 39.098 > 97 108 K 0.66666666666667 0.83333333333333 0.45688803356485 39.098 > 97 109 K 0.33333333333333 0.16666666666667 0.54311196643515 39.098 > 101 110 K 0.83333333333333 0.16666666666667 0.54311196643515 39.098 > 101 111 K 0.33333333333333 0.66666666666667 0.54311196643515 39.098 > 101 112 K 0.83333333333333 0.66666666666667 0.54311196643515 39.098 > 101 113 K 0.00000000000000 0.00000000000000 0.79022136689818 39.098 > 97 114 K 0.50000000000000 0.00000000000000 0.79022136689818 39.098 > 97 115 K 0.00000000000000 0.50000000000000 0.79022136689818 39.098 > 97 116 K 0.50000000000000 0.50000000000000 0.79022136689818 39.098 > 97 117 K 0.16666666666667 0.33333333333333 0.87644529976848 39.098 > 101 118 K 0.66666666666667 0.33333333333333 0.87644529976848 39.098 > 101 119 K 0.16666666666667 0.83333333333333 0.87644529976848 39.098 > 101 120 K 0.66666666666667 0.83333333333333 0.87644529976848 39.098 > 101 121 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 121 122 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 121 123 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 121 124 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 121 125 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 121 126 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 121 127 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 121 128 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 121 129 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 121 130 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 121 131 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 121 132 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.7978318 -0.0000000 0.0000000 0.0000000 2.7978318 0.0000000 0.0000000 0.0000000 2.2239639-------------------------- Born effective charges -------------------------- 1 C 3.1699647 -0.0000000 -0.0000000 0.0000000 3.1699647 -0.0000000 0.0000000 -0.0000000 0.2333402 2 C 3.1699647 -0.0000000 -0.0000000 0.0000000 3.1699647 -0.0000000 0.0000000 -0.0000000 0.2333402 3 O -2.3347168 -0.6921711 0.2013622 -0.6921711 -1.5354664 0.1162565 0.1056528 0.0609987 -0.8450031 4 O -2.3347168 0.6921711 -0.2013622 0.6921711 -1.5354664 0.1162565 -0.1056528 0.0609987 -0.8450031 5 O -1.1358412 0.0000000 0.0000000 0.0000000 -2.7343420 -0.2325130 0.0000000 -0.1219973 -0.8450031 6 O -1.1358412 0.0000000 0.0000000 0.0000000 -2.7343420 -0.2325130 0.0000000 -0.1219973 -0.8450031 7 O -2.3347168 0.6921711 -0.2013622 0.6921711 -1.5354664 0.1162565 -0.1056528 0.0609987 -0.8450031 8 O -2.3347168 -0.6921711 0.2013622 -0.6921711 -1.5354664 0.1162565 0.1056528 0.0609987 -0.8450031 9 K 1.2466734 -0.0000000 -0.0000000 0.0000000 1.2466734 -0.0000000 0.0000000 -0.0000000 1.1240106 10 K 1.2466734 -0.0000000 -0.0000000 0.0000000 1.2466734 -0.0000000 0.0000000 -0.0000000 1.1240106 11 Ca 2.7772733 -0.0000000 -0.0000000 0.0000000 2.7772733 -0.0000000 0.0000000 -0.0000000 2.3553173----------------------------------------------------------------------------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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 121, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000007 (yyy) -0.00000007 (yyy) -0.00000007 (yyy)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): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 21:43:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 21:43:44]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.696554529709881 1.556856483612501 6.009727169999994 b -2.696554529709875 1.556856483612501 6.009727169999994 c 0.000000000000003 -3.113712967225007 6.009727169999994Atomic positions (fractional): 1 C 0.41142712532569 0.41142712532569 0.41142712532569 12.011 2 C 0.58857287467431 0.58857287467431 0.58857287467431 12.011 3 O 0.31053590724739 0.72694003189090 0.72694003189090 15.999 4 O 0.72694003189090 0.31053590724740 0.72694003189090 15.999 5 O 0.72694003189090 0.72694003189090 0.31053590724739 15.999 6 O 0.27305996810910 0.27305996810910 0.68946409275261 15.999 7 O 0.27305996810910 0.68946409275260 0.27305996810910 15.999 8 O 0.68946409275261 0.27305996810910 0.27305996810910 15.999 9 K 0.79022136689818 0.79022136689818 0.79022136689818 39.098 10 K 0.20977863310182 0.20977863310182 0.20977863310182 39.098 11 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078-------------------------------- supercell ---------------------------------Lattice vectors: a 10.786218118839512 0.000000000000000 0.000000000000000 b -5.393109059419756 9.341138901675016 0.000000000000000 c 0.000000000000000 0.000000000000000 18.029181510000001Atomic positions (fractional): 1 C 0.16666666666667 0.33333333333333 0.07809379199236 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.07809379199236 12.011 > 1 3 C 0.16666666666667 0.83333333333333 0.07809379199236 12.011 > 1 4 C 0.66666666666667 0.83333333333333 0.07809379199236 12.011 > 1 5 C 0.16666666666667 0.33333333333333 0.25523954134097 12.011 > 5 6 C 0.66666666666667 0.33333333333333 0.25523954134097 12.011 > 5 7 C 0.16666666666667 0.83333333333333 0.25523954134097 12.011 > 5 8 C 0.66666666666667 0.83333333333333 0.25523954134097 12.011 > 5 9 C 0.00000000000000 0.00000000000000 0.41142712532569 12.011 > 1 10 C 0.50000000000000 0.00000000000000 0.41142712532569 12.011 > 1 11 C 0.00000000000000 0.50000000000000 0.41142712532569 12.011 > 1 12 C 0.50000000000000 0.50000000000000 0.41142712532569 12.011 > 1 13 C 0.00000000000000 0.00000000000000 0.58857287467431 12.011 > 5 14 C 0.50000000000000 0.00000000000000 0.58857287467431 12.011 > 5 15 C 0.00000000000000 0.50000000000000 0.58857287467431 12.011 > 5 16 C 0.50000000000000 0.50000000000000 0.58857287467431 12.011 > 5 17 C 0.33333333333333 0.16666666666667 0.74476045865903 12.011 > 1 18 C 0.83333333333333 0.16666666666667 0.74476045865903 12.011 > 1 19 C 0.33333333333333 0.66666666666667 0.74476045865903 12.011 > 1 20 C 0.83333333333333 0.66666666666667 0.74476045865903 12.011 > 1 21 C 0.33333333333333 0.16666666666667 0.92190620800764 12.011 > 5 22 C 0.83333333333333 0.16666666666667 0.92190620800764 12.011 > 5 23 C 0.33333333333333 0.66666666666667 0.92190620800764 12.011 > 5 24 C 0.83333333333333 0.66666666666667 0.92190620800764 12.011 > 5 25 O 0.02786529178550 0.26393264589275 0.25480532367640 15.999 > 25 26 O 0.52786529178550 0.26393264589275 0.25480532367640 15.999 > 25 27 O 0.02786529178550 0.76393264589275 0.25480532367640 15.999 > 25 28 O 0.52786529178550 0.76393264589275 0.25480532367640 15.999 > 25 29 O 0.23606735410725 0.26393264589275 0.25480532367640 15.999 > 29 30 O 0.73606735410725 0.26393264589275 0.25480532367640 15.999 > 29 31 O 0.23606735410725 0.76393264589275 0.25480532367640 15.999 > 29 32 O 0.73606735410725 0.76393264589275 0.25480532367640 15.999 > 29 33 O 0.23606735410725 0.47213470821450 0.25480532367640 15.999 > 33 34 O 0.73606735410725 0.47213470821450 0.25480532367640 15.999 > 33 35 O 0.23606735410725 0.97213470821450 0.25480532367640 15.999 > 33 36 O 0.73606735410725 0.97213470821450 0.25480532367640 15.999 > 33 37 O 0.09726597922608 0.19453195845216 0.07852800965693 15.999 > 37 38 O 0.59726597922608 0.19453195845216 0.07852800965693 15.999 > 37 39 O 0.09726597922608 0.69453195845216 0.07852800965693 15.999 > 37 40 O 0.59726597922608 0.69453195845216 0.07852800965693 15.999 > 37 41 O 0.09726597922608 0.40273402077392 0.07852800965693 15.999 > 41 42 O 0.59726597922608 0.40273402077392 0.07852800965693 15.999 > 41 43 O 0.09726597922608 0.90273402077392 0.07852800965693 15.999 > 41 44 O 0.59726597922608 0.90273402077392 0.07852800965693 15.999 > 41 45 O 0.30546804154784 0.40273402077392 0.07852800965693 15.999 > 45 46 O 0.80546804154784 0.40273402077392 0.07852800965693 15.999 > 45 47 O 0.30546804154784 0.90273402077392 0.07852800965693 15.999 > 45 48 O 0.80546804154784 0.90273402077392 0.07852800965693 15.999 > 45 49 O 0.36119862511883 0.43059931255942 0.58813865700973 15.999 > 25 50 O 0.86119862511883 0.43059931255942 0.58813865700973 15.999 > 25 51 O 0.36119862511883 0.93059931255942 0.58813865700973 15.999 > 25 52 O 0.86119862511883 0.93059931255942 0.58813865700973 15.999 > 25 53 O 0.06940068744058 0.43059931255942 0.58813865700973 15.999 > 29 54 O 0.56940068744058 0.43059931255942 0.58813865700973 15.999 > 29 55 O 0.06940068744058 0.93059931255942 0.58813865700973 15.999 > 29 56 O 0.56940068744058 0.93059931255942 0.58813865700973 15.999 > 29 57 O 0.06940068744058 0.13880137488117 0.58813865700973 15.999 > 33 58 O 0.56940068744058 0.13880137488117 0.58813865700973 15.999 > 33 59 O 0.06940068744058 0.63880137488117 0.58813865700973 15.999 > 33 60 O 0.56940068744058 0.63880137488117 0.58813865700973 15.999 > 33 61 O 0.43059931255942 0.36119862511883 0.41186134299027 15.999 > 37 62 O 0.93059931255942 0.36119862511883 0.41186134299027 15.999 > 37 63 O 0.43059931255942 0.86119862511883 0.41186134299027 15.999 > 37 64 O 0.93059931255942 0.86119862511883 0.41186134299027 15.999 > 37 65 O 0.43059931255942 0.06940068744058 0.41186134299027 15.999 > 41 66 O 0.93059931255942 0.06940068744058 0.41186134299027 15.999 > 41 67 O 0.43059931255942 0.56940068744058 0.41186134299027 15.999 > 41 68 O 0.93059931255942 0.56940068744058 0.41186134299027 15.999 > 41 69 O 0.13880137488117 0.06940068744058 0.41186134299027 15.999 > 45 70 O 0.63880137488117 0.06940068744058 0.41186134299027 15.999 > 45 71 O 0.13880137488117 0.56940068744058 0.41186134299027 15.999 > 45 72 O 0.63880137488117 0.56940068744058 0.41186134299027 15.999 > 45 73 O 0.19453195845216 0.09726597922608 0.92147199034307 15.999 > 25 74 O 0.69453195845216 0.09726597922608 0.92147199034307 15.999 > 25 75 O 0.19453195845216 0.59726597922608 0.92147199034307 15.999 > 25 76 O 0.69453195845216 0.59726597922608 0.92147199034307 15.999 > 25 77 O 0.40273402077392 0.09726597922608 0.92147199034307 15.999 > 29 78 O 0.90273402077392 0.09726597922608 0.92147199034307 15.999 > 29 79 O 0.40273402077392 0.59726597922608 0.92147199034307 15.999 > 29 80 O 0.90273402077392 0.59726597922608 0.92147199034307 15.999 > 29 81 O 0.40273402077392 0.30546804154784 0.92147199034307 15.999 > 33 82 O 0.90273402077392 0.30546804154784 0.92147199034307 15.999 > 33 83 O 0.40273402077392 0.80546804154784 0.92147199034307 15.999 > 33 84 O 0.90273402077392 0.80546804154784 0.92147199034307 15.999 > 33 85 O 0.26393264589275 0.02786529178550 0.74519467632360 15.999 > 37 86 O 0.76393264589275 0.02786529178550 0.74519467632360 15.999 > 37 87 O 0.26393264589275 0.52786529178550 0.74519467632360 15.999 > 37 88 O 0.76393264589275 0.52786529178550 0.74519467632360 15.999 > 37 89 O 0.26393264589275 0.23606735410725 0.74519467632360 15.999 > 41 90 O 0.76393264589275 0.23606735410725 0.74519467632360 15.999 > 41 91 O 0.26393264589275 0.73606735410725 0.74519467632360 15.999 > 41 92 O 0.76393264589275 0.73606735410725 0.74519467632360 15.999 > 41 93 O 0.47213470821450 0.23606735410725 0.74519467632360 15.999 > 45 94 O 0.97213470821450 0.23606735410725 0.74519467632360 15.999 > 45 95 O 0.47213470821450 0.73606735410725 0.74519467632360 15.999 > 45 96 O 0.97213470821450 0.73606735410725 0.74519467632360 15.999 > 45 97 K 0.33333333333333 0.16666666666667 0.12355470023152 39.098 > 97 98 K 0.83333333333333 0.16666666666667 0.12355470023152 39.098 > 97 99 K 0.33333333333333 0.66666666666667 0.12355470023152 39.098 > 97 100 K 0.83333333333333 0.66666666666667 0.12355470023152 39.098 > 97 101 K 0.00000000000000 0.00000000000000 0.20977863310182 39.098 > 101 102 K 0.50000000000000 0.00000000000000 0.20977863310182 39.098 > 101 103 K 0.00000000000000 0.50000000000000 0.20977863310182 39.098 > 101 104 K 0.50000000000000 0.50000000000000 0.20977863310182 39.098 > 101 105 K 0.16666666666667 0.33333333333333 0.45688803356485 39.098 > 97 106 K 0.66666666666667 0.33333333333333 0.45688803356485 39.098 > 97 107 K 0.16666666666667 0.83333333333333 0.45688803356485 39.098 > 97 108 K 0.66666666666667 0.83333333333333 0.45688803356485 39.098 > 97 109 K 0.33333333333333 0.16666666666667 0.54311196643515 39.098 > 101 110 K 0.83333333333333 0.16666666666667 0.54311196643515 39.098 > 101 111 K 0.33333333333333 0.66666666666667 0.54311196643515 39.098 > 101 112 K 0.83333333333333 0.66666666666667 0.54311196643515 39.098 > 101 113 K 0.00000000000000 0.00000000000000 0.79022136689818 39.098 > 97 114 K 0.50000000000000 0.00000000000000 0.79022136689818 39.098 > 97 115 K 0.00000000000000 0.50000000000000 0.79022136689818 39.098 > 97 116 K 0.50000000000000 0.50000000000000 0.79022136689818 39.098 > 97 117 K 0.16666666666667 0.33333333333333 0.87644529976848 39.098 > 101 118 K 0.66666666666667 0.33333333333333 0.87644529976848 39.098 > 101 119 K 0.16666666666667 0.83333333333333 0.87644529976848 39.098 > 101 120 K 0.66666666666667 0.83333333333333 0.87644529976848 39.098 > 101 121 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 121 122 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 121 123 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 121 124 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 121 125 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 121 126 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 121 127 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 121 128 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 121 129 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 121 130 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 121 131 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 121 132 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.7978318 -0.0000000 0.0000000 0.0000000 2.7978318 0.0000000 0.0000000 0.0000000 2.2239639-------------------------- Born effective charges -------------------------- 1 C 3.1699647 -0.0000000 -0.0000000 0.0000000 3.1699647 -0.0000000 0.0000000 -0.0000000 0.2333402 2 C 3.1699647 -0.0000000 -0.0000000 0.0000000 3.1699647 -0.0000000 0.0000000 -0.0000000 0.2333402 3 O -2.3347168 -0.6921711 0.2013622 -0.6921711 -1.5354664 0.1162565 0.1056528 0.0609987 -0.8450031 4 O -2.3347168 0.6921711 -0.2013622 0.6921711 -1.5354664 0.1162565 -0.1056528 0.0609987 -0.8450031 5 O -1.1358412 0.0000000 0.0000000 0.0000000 -2.7343420 -0.2325130 0.0000000 -0.1219973 -0.8450031 6 O -1.1358412 0.0000000 0.0000000 0.0000000 -2.7343420 -0.2325130 0.0000000 -0.1219973 -0.8450031 7 O -2.3347168 0.6921711 -0.2013622 0.6921711 -1.5354664 0.1162565 -0.1056528 0.0609987 -0.8450031 8 O -2.3347168 -0.6921711 0.2013622 -0.6921711 -1.5354664 0.1162565 0.1056528 0.0609987 -0.8450031 9 K 1.2466734 -0.0000000 -0.0000000 0.0000000 1.2466734 -0.0000000 0.0000000 -0.0000000 1.1240106 10 K 1.2466734 -0.0000000 -0.0000000 0.0000000 1.2466734 -0.0000000 0.0000000 -0.0000000 1.1240106 11 Ca 2.7772733 -0.0000000 -0.0000000 0.0000000 2.7772733 -0.0000000 0.0000000 -0.0000000 2.3553173----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000007 (yyy) -0.00000007 (yyy) -0.00000007 (yyy)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 11 11 11 ]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: 0.78, Number of G-points: 297, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/146) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.954 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 6.627 ( 0.000 0.000 0.000) 0.000 6.627 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 19.901 ( 0.000 0.000 0.000) 0.000 19.901 ( 0.000 0.000 0.000) 0.000 19.912 ( 0.000 0.000 0.000) 0.000 19.912 ( 0.000 0.000 0.000) 0.000 24.573 ( 0.000 0.000 0.000) 0.000 25.118 ( 0.000 0.000 0.000) 0.000 32.354 ( 0.000 0.000 0.000) 0.000 32.445 ( 0.000 0.000 0.000) 0.000 41.933 ( 0.000 0.000 0.000) 0.000 41.933 ( 0.000 0.000 0.000) 0.000 42.496 ( 0.000 0.000 0.000) 0.000 42.496 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/146) =======================q-point: ( 0.09 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.436 ( 15.985 9.229 16.389) 24.684 0.784 ( 32.483 18.754 5.552) 37.917 1.319 ( 54.730 31.598 2.724) 63.255 2.023 ( 5.914 3.415 0.876) 6.885 2.183 ( 18.971 10.953 0.198) 21.907 3.092 ( -1.322 -0.764 -0.495) 1.605 3.584 ( -5.725 -3.306 16.963) 18.206 3.858 ( -3.213 -1.855 0.309) 3.723 4.569 ( 0.316 0.182 -0.328) 0.491 4.653 ( 3.225 1.862 -2.283) 4.368 4.872 ( -0.410 -0.237 -9.338) 9.350 4.945 ( -1.105 -0.638 7.266) 7.377 4.946 ( 0.034 0.020 4.145) 4.145 5.166 ( 4.376 2.526 -5.341) 7.353 5.411 ( 1.072 0.619 0.230) 1.259 6.567 ( -5.104 -2.947 -2.294) 6.324 6.630 ( -0.628 -0.363 3.780) 3.849 6.954 ( 3.989 2.303 -3.838) 5.996 8.153 ( -0.066 -0.038 -1.551) 1.553 8.495 ( -0.684 -0.395 1.002) 1.275 10.665 ( -6.767 -3.907 -6.791) 10.353 19.886 ( -1.070 -0.618 1.261) 1.765 19.893 ( 0.633 0.365 -1.598) 1.757 19.925 ( 0.888 0.513 -0.898) 1.363 19.953 ( 2.452 1.416 0.542) 2.882 24.587 ( -0.835 -0.482 4.538) 4.640 25.113 ( -0.344 -0.199 -0.163) 0.429 32.347 ( -0.722 -0.417 0.345) 0.902 32.438 ( -0.536 -0.310 -0.488) 0.789 41.924 ( -1.426 -0.823 3.375) 3.755 41.959 ( 2.603 1.503 -1.724) 3.465 42.483 ( -0.349 -0.202 -3.615) 3.638 45.934 ( 13.801 7.968 -63.952) 65.908======================= Grid point 2 (3/146) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( 16.220 9.365 14.393) 23.621 1.481 ( 26.148 15.096 4.861) 30.582 2.233 ( 12.418 7.170 2.005) 14.479 2.348 ( 31.759 18.336 5.274) 37.049 2.690 ( 17.614 10.170 0.766) 20.354 3.186 ( 19.574 11.301 -3.603) 22.888 3.519 ( -5.487 -3.168 8.304) 10.445 3.775 ( -3.904 -2.254 0.283) 4.517 4.556 ( -1.126 -0.650 0.727) 1.490 4.741 ( 4.539 2.621 -3.817) 6.484 4.803 ( -2.232 -1.288 -5.257) 5.855 4.952 ( -0.477 -0.276 2.204) 2.271 4.989 ( 2.564 1.480 3.934) 4.924 5.253 ( 5.830 3.366 -7.251) 9.894 5.452 ( 2.435 1.406 1.060) 3.004 6.371 ( -10.836 -6.256 -3.597) 13.019 6.636 ( -1.128 -0.651 6.455) 6.585 7.069 ( 8.056 4.651 -4.344) 10.267 8.137 ( -0.439 -0.253 -2.649) 2.697 8.490 ( -0.890 -0.514 4.878) 4.985 10.395 ( -14.971 -8.644 -2.320) 17.442 19.871 ( -0.853 -0.493 1.401) 1.713 19.917 ( 2.204 1.273 -1.861) 3.153 19.938 ( 0.575 0.332 -0.784) 1.027 20.017 ( 2.976 1.718 0.120) 3.438 24.593 ( -0.168 -0.097 2.243) 2.252 25.101 ( -0.576 -0.333 -0.337) 0.746 32.328 ( -1.004 -0.580 0.084) 1.162 32.418 ( -0.949 -0.548 -0.825) 1.372 41.909 ( -1.818 -1.050 6.001) 6.357 42.026 ( 4.184 2.416 -2.534) 5.456 42.442 ( -1.172 -0.676 -6.409) 6.550 45.916 ( 5.494 3.172 -28.809) 29.499======================= Grid point 3 (4/146) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.296 ( 14.753 8.518 11.196) 20.386 1.963 ( 14.905 8.605 2.668) 17.416 2.610 ( 19.100 11.027 3.872) 22.392 2.722 ( -0.040 -0.023 4.212) 4.212 2.959 ( 13.344 7.704 2.870) 15.673 3.452 ( -1.569 -0.906 5.217) 5.522 3.698 ( -2.916 -1.683 0.129) 3.369 3.912 ( 34.919 20.161 -6.493) 40.841 4.533 ( -1.885 -1.088 3.543) 4.158 4.729 ( -2.544 -1.469 -1.799) 3.444 4.778 ( 0.895 0.517 -4.935) 5.042 4.953 ( 1.036 0.598 -1.923) 2.265 5.115 ( 6.989 4.035 0.720) 8.102 5.342 ( 4.995 2.884 -6.736) 8.868 5.540 ( 4.713 2.721 2.516) 5.996 6.062 ( -14.580 -8.418 -2.106) 16.967 6.645 ( -1.159 -0.669 7.370) 7.490 7.272 ( 12.006 6.932 -4.212) 14.489 8.105 ( -1.131 -0.653 -2.993) 3.266 8.509 ( 0.404 0.233 4.289) 4.315 9.984 ( -20.617 -11.903 -0.212) 23.807 19.864 ( -0.367 -0.212 1.394) 1.457 19.942 ( 0.108 0.062 -0.714) 0.725 19.969 ( 3.119 1.801 -1.874) 4.060 20.081 ( 2.519 1.454 0.020) 2.909 24.601 ( 0.086 0.050 1.429) 1.433 25.086 ( -0.622 -0.359 -0.454) 0.850 32.306 ( -0.917 -0.529 -0.068) 1.061 32.389 ( -1.102 -0.636 -0.905) 1.561 41.911 ( -0.958 -0.553 7.733) 7.812 42.112 ( 4.266 2.463 -2.270) 5.424 42.365 ( -2.300 -1.328 -8.183) 8.603 45.892 ( 2.415 1.394 -15.774) 16.019======================= Grid point 4 (5/146) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 10.591 6.114 6.543) 13.869 2.213 ( 7.403 4.274 0.780) 8.584 2.712 ( -0.494 -0.285 3.864) 3.906 3.061 ( 17.582 10.151 4.574) 20.811 3.068 ( -3.846 -2.220 1.786) 4.786 3.613 ( 12.201 7.044 4.264) 14.719 3.643 ( -2.137 -1.234 -0.322) 2.488 4.426 ( 12.824 7.404 -9.339) 17.507 4.500 ( -3.087 -1.782 4.885) 6.047 4.679 ( -1.401 -0.809 0.669) 1.750 4.758 ( 0.138 0.080 -5.229) 5.232 5.000 ( 3.840 2.217 -3.976) 5.956 5.270 ( 6.319 3.648 -1.739) 7.500 5.407 ( 3.249 1.876 -4.263) 5.679 5.618 ( -7.397 -4.271 9.423) 12.718 5.822 ( 2.760 1.594 -4.502) 5.516 6.660 ( -0.577 -0.333 6.110) 6.146 7.576 ( 17.034 9.835 -3.998) 20.071 8.059 ( -1.537 -0.888 -2.443) 3.020 8.533 ( -0.613 -0.354 2.530) 2.627 9.495 ( -22.100 -12.759 1.260) 25.550 19.869 ( 0.177 0.102 1.219) 1.236 19.936 ( -0.339 -0.196 -0.693) 0.796 20.031 ( 2.979 1.720 -1.603) 3.795 20.126 ( 1.336 0.771 0.212) 1.557 24.610 ( 0.145 0.084 0.873) 0.889 25.071 ( -0.470 -0.271 -0.409) 0.680 32.288 ( -0.589 -0.340 -0.113) 0.690 32.362 ( -0.892 -0.515 -0.695) 1.243 41.949 ( 0.658 0.380 8.779) 8.812 42.186 ( 3.050 1.761 -1.417) 3.796 42.259 ( -3.147 -1.817 -9.126) 9.823 45.869 ( 0.932 0.538 -8.198) 8.268======================= Grid point 5 (6/146) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( 3.707 2.140 1.839) 4.659 2.323 ( 2.349 1.356 0.073) 2.714 2.767 ( 3.397 1.961 3.183) 5.051 2.939 ( -6.047 -3.491 -0.755) 7.023 3.402 ( 10.361 5.982 3.494) 12.463 3.578 ( -3.849 -2.222 -1.620) 4.730 3.891 ( 8.042 4.643 3.142) 9.803 4.454 ( -2.035 -1.175 2.145) 3.182 4.491 ( 0.321 0.186 -7.189) 7.199 4.672 ( -0.036 -0.021 0.956) 0.957 4.743 ( 0.223 0.129 -2.219) 2.234 5.009 ( -1.620 -0.935 -0.813) 2.039 5.361 ( 2.328 1.344 -1.479) 3.068 5.444 ( 1.196 0.691 -1.054) 1.738 5.466 ( -4.082 -2.357 3.113) 5.649 5.975 ( 5.462 3.153 -0.417) 6.320 6.676 ( -0.060 -0.035 2.443) 2.444 7.980 ( 18.657 10.771 -2.969) 21.746 8.022 ( -0.781 -0.451 -0.971) 1.325 8.442 ( -9.643 -5.567 1.608) 11.250 9.096 ( -10.754 -6.209 1.201) 12.476 19.881 ( 0.322 0.186 0.667) 0.764 19.923 ( -0.374 -0.216 -0.469) 0.638 20.077 ( 1.417 0.818 -0.775) 1.810 20.143 ( 0.195 0.113 0.261) 0.345 24.616 ( 0.066 0.038 0.303) 0.312 25.062 ( -0.174 -0.101 -0.167) 0.261 32.279 ( -0.196 -0.113 -0.053) 0.233 32.345 ( -0.344 -0.199 -0.260) 0.475 42.028 ( 2.254 1.302 9.314) 9.671 42.139 ( -3.183 -1.838 -9.445) 10.135 42.229 ( 1.090 0.630 -0.462) 1.341 45.854 ( 0.226 0.130 -2.561) 2.574======================= Grid point 12 (7/146) =======================q-point: ( 0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.543 ( -0.000 15.463 25.081) 29.464 0.775 ( 0.000 36.676 4.197) 36.916 1.354 ( 0.000 59.789 7.800) 60.296 2.035 ( 0.000 6.552 2.610) 7.053 2.198 ( 0.000 23.067 1.813) 23.138 3.092 ( -0.000 -1.274 -0.170) 1.285 3.706 ( -0.000 -14.990 27.102) 30.972 3.863 ( -0.000 -3.463 0.965) 3.595 4.564 ( 0.000 -0.007 -1.186) 1.186 4.661 ( 0.000 4.753 -1.808) 5.085 4.820 ( 0.000 1.080 -8.703) 8.769 4.893 ( 0.000 -1.230 -2.352) 2.655 4.972 ( -0.000 -3.646 3.654) 5.162 5.214 ( 0.000 6.512 0.988) 6.587 5.373 ( 0.000 1.094 -4.868) 4.989 6.608 ( -0.000 -2.425 0.897) 2.586 6.647 ( -0.000 -2.280 7.688) 8.019 6.919 ( 0.000 4.162 -7.599) 8.664 8.169 ( -0.000 0.817 0.536) 0.977 8.519 ( -0.000 2.567 3.096) 4.022 10.545 ( 0.000 -6.844 -18.595) 19.815 19.866 ( 0.000 -1.388 -1.320) 1.916 19.907 ( 0.000 0.735 0.155) 0.752 19.940 ( -0.000 0.954 1.004) 1.385 19.946 ( 0.000 3.217 -0.314) 3.232 24.619 ( -0.000 -3.453 7.303) 8.078 25.112 ( 0.000 -0.401 -0.285) 0.492 32.348 ( -0.000 -1.158 0.382) 1.220 32.435 ( 0.000 -0.652 -0.815) 1.044 41.881 ( 0.000 -3.580 -2.276) 4.242 41.999 ( -0.000 5.074 3.690) 6.274 42.528 ( -0.000 1.647 2.256) 2.793 45.463 ( 0.000 49.302 -103.379) 114.534======================= Grid point 13 (8/146) =======================q-point: ( 0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( 7.466 14.400 22.064) 27.385 1.351 ( 19.698 29.220 6.002) 35.747 2.023 ( 13.248 22.461 4.820) 26.518 2.359 ( 19.591 24.915 1.995) 31.758 2.509 ( 9.179 23.575 3.489) 25.539 3.108 ( 2.266 7.910 -0.707) 8.259 3.628 ( -6.269 -7.527 14.273) 17.311 3.821 ( -2.028 -1.988 1.776) 3.350 4.603 ( 4.763 -1.145 -3.111) 5.803 4.655 ( -3.476 5.616 -2.152) 6.946 4.809 ( -0.683 3.127 -6.862) 7.572 4.909 ( 3.933 -4.331 2.455) 6.344 4.956 ( 1.671 -3.413 0.007) 3.800 5.238 ( -1.504 8.063 -5.006) 9.609 5.419 ( 3.895 1.389 -1.574) 4.425 6.467 ( -9.894 -6.321 2.069) 11.922 6.690 ( 0.239 -0.250 7.648) 7.655 6.975 ( 5.365 6.150 -8.030) 11.449 8.156 ( -2.110 1.498 -0.834) 2.718 8.546 ( -1.715 -0.042 7.768) 7.955 10.360 ( -1.152 -16.540 -12.521) 20.777 19.861 ( 1.366 -1.091 -1.171) 2.104 19.912 ( -0.262 1.686 -0.448) 1.764 19.961 ( -1.362 3.200 0.207) 3.484 19.980 ( 2.417 0.932 0.442) 2.628 24.614 ( -0.793 -1.093 3.993) 4.215 25.103 ( -0.321 -0.518 -0.443) 0.753 32.332 ( -0.492 -1.231 0.012) 1.326 32.418 ( -0.496 -0.871 -1.117) 1.501 41.874 ( 4.501 -4.527 -2.031) 6.699 42.053 ( -3.063 6.453 6.347) 9.555 42.509 ( -4.650 4.579 -1.590) 6.717 45.574 ( 14.981 15.256 -55.425) 59.406======================= Grid point 14 (9/146) =======================q-point: ( 0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( 9.505 12.331 17.746) 23.607 1.926 ( 12.067 22.837 6.356) 26.600 2.398 ( 16.390 9.122 3.020) 18.999 2.705 ( 4.141 1.734 4.204) 6.150 2.948 ( 9.659 18.601 4.469) 21.431 3.467 ( 9.495 2.698 0.071) 9.872 3.624 ( 13.355 24.901 2.863) 28.401 3.781 ( -4.063 2.707 1.202) 5.028 4.602 ( -1.272 -2.348 -2.410) 3.597 4.659 ( 0.158 2.444 -2.042) 3.189 4.795 ( -1.540 1.268 -1.604) 2.559 4.955 ( 0.092 1.315 -1.912) 2.323 4.971 ( 8.878 -5.118 0.977) 10.294 5.297 ( 2.441 7.992 -7.426) 11.179 5.498 ( 4.284 2.822 -1.123) 5.252 6.199 ( -13.598 -10.368 3.688) 17.493 6.721 ( -1.616 1.211 7.543) 7.808 7.132 ( 9.667 7.761 -7.294) 14.384 8.126 ( -2.400 1.504 -1.902) 3.411 8.550 ( -1.695 -0.074 6.626) 6.840 10.044 ( -8.114 -21.722 -7.018) 24.226 19.868 ( 0.673 -0.669 -0.012) 0.949 19.936 ( 1.461 2.326 -1.786) 3.276 19.965 ( -1.571 2.865 0.077) 3.268 20.038 ( 3.289 0.318 0.437) 3.333 24.614 ( -0.421 -0.216 2.420) 2.466 25.088 ( -0.487 -0.505 -0.569) 0.903 32.310 ( -0.627 -1.149 -0.157) 1.318 32.392 ( -0.762 -0.971 -1.206) 1.726 41.915 ( 5.628 -3.613 -0.274) 6.694 42.092 ( -3.208 5.569 7.183) 9.638 42.459 ( -6.326 7.435 -4.822) 10.888 45.653 ( 11.400 0.857 -31.072) 33.108======================= Grid point 15 (10/146) =======================q-point: ( 0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( 7.887 9.458 12.936) 17.860 2.251 ( 2.191 16.595 4.340) 17.292 2.656 ( 5.282 -4.179 1.054) 6.818 2.912 ( 15.259 9.762 8.272) 19.914 3.136 ( -2.114 1.973 2.512) 3.830 3.585 ( 3.967 12.210 3.147) 13.219 3.762 ( -3.539 9.331 0.737) 10.007 4.222 ( 17.817 16.882 -7.763) 25.743 4.521 ( -0.962 -5.574 -1.303) 5.805 4.693 ( -0.108 3.171 2.989) 4.359 4.751 ( -1.907 -0.868 -1.500) 2.577 4.966 ( 0.772 3.656 -4.499) 5.848 5.133 ( 12.628 -1.293 0.790) 12.718 5.375 ( 1.501 7.375 -6.380) 9.867 5.625 ( 8.404 3.057 -0.859) 8.984 5.862 ( -14.914 -12.683 5.778) 20.413 6.736 ( -2.587 2.146 5.847) 6.744 7.382 ( 14.132 9.888 -6.365) 18.384 8.085 ( -2.759 1.018 -1.739) 3.416 8.556 ( -0.867 -0.080 3.695) 3.796 9.612 ( -13.039 -23.536 -3.172) 27.093 19.872 ( 0.250 -0.185 0.503) 0.591 19.954 ( -1.291 1.624 -0.355) 2.104 19.993 ( 2.362 2.547 -1.714) 3.874 20.094 ( 2.772 -0.104 0.411) 2.804 24.618 ( -0.238 0.052 1.565) 1.584 25.073 ( -0.438 -0.362 -0.554) 0.793 32.290 ( -0.437 -0.915 -0.172) 1.028 32.364 ( -0.691 -0.911 -1.013) 1.528 41.990 ( 5.329 -0.748 1.583) 5.609 42.123 ( -2.512 3.847 5.738) 7.350 42.390 ( -8.217 8.514 -4.750) 12.751 45.679 ( 9.598 -5.688 -18.402) 21.520======================= Grid point 16 (11/146) =======================q-point: ( 0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 2.977 5.433 8.298) 10.355 2.408 ( -2.304 12.752 2.861) 13.270 2.698 ( 4.776 -3.130 2.035) 6.062 3.008 ( -6.886 -3.552 0.615) 7.773 3.327 ( 12.782 8.646 5.044) 16.235 3.657 ( -5.551 7.968 -2.125) 9.941 3.957 ( 2.891 19.789 4.402) 20.478 4.337 ( 1.552 -6.932 -6.713) 9.774 4.540 ( 1.983 4.456 -1.800) 5.199 4.678 ( -2.291 -2.086 1.414) 3.406 4.758 ( 0.054 2.995 0.717) 3.080 4.996 ( 0.677 0.218 -2.338) 2.444 5.324 ( 7.606 -0.472 1.381) 7.744 5.420 ( -1.417 7.191 -3.630) 8.179 5.568 ( -8.654 -7.256 4.331) 12.096 5.823 ( 12.280 -0.139 -1.206) 12.340 6.731 ( -3.077 2.049 2.543) 4.487 7.741 ( 19.130 11.543 -5.003) 22.895 8.044 ( -2.044 0.756 -0.433) 2.222 8.522 ( -4.664 -3.452 1.429) 5.976 9.163 ( -11.241 -20.022 -1.042) 22.985 19.879 ( 0.348 -0.108 0.262) 0.449 19.943 ( -1.443 1.280 0.004) 1.929 20.048 ( 2.366 1.531 -1.307) 3.107 20.129 ( 1.433 -0.511 0.342) 1.559 24.621 ( -0.251 0.089 0.884) 0.923 25.062 ( -0.204 -0.148 -0.343) 0.426 32.277 ( -0.093 -0.648 -0.085) 0.661 32.343 ( -0.250 -0.672 -0.595) 0.932 42.083 ( 4.587 0.166 -2.219) 5.098 42.142 ( -3.983 6.990 6.586) 10.397 42.306 ( -7.739 5.702 -1.099) 9.675 45.692 ( 9.295 -8.934 -10.386) 16.555======================= Grid point 17 (12/146) =======================q-point: (-0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( -3.653 1.358 5.134) 6.446 2.454 ( -6.391 9.363 1.896) 11.493 2.740 ( 0.603 -5.029 -0.862) 5.137 2.896 ( 0.056 1.313 -1.927) 2.333 3.499 ( -1.797 -4.483 -0.218) 4.835 3.629 ( -5.776 14.571 -0.747) 15.692 4.087 ( -9.957 12.058 -2.503) 15.837 4.315 ( 6.289 -5.183 2.000) 8.391 4.593 ( -0.407 6.085 -0.322) 6.107 4.640 ( 0.468 -3.349 2.598) 4.265 4.788 ( -0.693 2.136 2.374) 3.268 4.967 ( 1.271 -2.618 0.377) 2.934 5.349 ( 2.172 -5.932 -0.743) 6.361 5.456 ( -3.319 7.190 0.597) 7.941 5.497 ( -0.905 1.723 0.908) 2.148 5.941 ( 4.007 -5.914 -1.027) 7.217 6.701 ( -2.600 1.908 -1.902) 3.744 8.022 ( 1.032 0.686 0.668) 1.408 8.123 ( 2.494 2.679 -0.380) 3.680 8.331 ( -1.012 -3.659 -0.349) 3.812 8.946 ( 4.210 -8.172 -2.189) 9.450 19.879 ( -0.067 -0.313 -0.545) 0.632 19.938 ( -0.751 1.489 0.558) 1.759 20.081 ( 0.704 0.036 -0.018) 0.705 20.136 ( 0.223 -0.878 -0.114) 0.913 24.619 ( -0.365 0.034 0.261) 0.450 25.060 ( 0.120 0.055 -0.027) 0.134 32.273 ( 0.280 -0.425 0.021) 0.509 32.338 ( 0.429 -0.309 -0.102) 0.539 42.065 ( -3.717 4.076 -9.371) 10.874 42.214 ( -4.175 2.994 9.770) 11.039 42.265 ( -0.331 5.517 3.361) 6.469 45.720 ( 9.357 -9.689 -4.502) 14.203======================= Grid point 18 (13/146) =======================q-point: (-0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( -11.670 -2.238 1.494) 11.976 2.392 ( -10.997 6.619 0.757) 12.858 2.658 ( -0.044 -4.192 -3.595) 5.523 2.978 ( 5.040 0.844 -2.319) 5.612 3.263 ( -13.927 -7.083 -3.434) 15.998 3.670 ( -5.096 9.281 -0.215) 10.590 3.899 ( -18.586 7.212 -3.236) 20.198 4.407 ( 6.392 -0.661 0.695) 6.464 4.592 ( -5.777 -0.626 6.599) 8.793 4.657 ( 1.388 -0.127 -0.497) 1.480 4.790 ( -1.639 -0.582 3.729) 4.114 5.036 ( 2.792 0.635 3.018) 4.160 5.293 ( -2.057 -8.060 -2.821) 8.784 5.483 ( 0.442 6.609 2.096) 6.947 5.513 ( 0.806 2.648 -0.144) 2.772 5.840 ( -3.960 -10.199 0.928) 10.980 6.668 ( -2.064 3.265 -5.412) 6.649 7.799 ( -18.573 -9.854 2.356) 21.157 8.064 ( 1.336 1.907 2.123) 3.151 8.501 ( 4.330 2.593 -1.197) 5.187 9.142 ( 24.256 0.857 -3.776) 24.563 19.868 ( -0.373 -0.060 -1.007) 1.076 19.949 ( -0.329 1.689 0.751) 1.878 20.067 ( -1.932 -1.023 1.149) 2.469 20.122 ( -0.177 -1.671 -0.504) 1.754 24.612 ( -0.473 -0.027 -0.242) 0.532 25.067 ( 0.428 0.186 0.220) 0.516 32.278 ( 0.663 -0.237 0.074) 0.708 32.351 ( 1.072 0.046 0.295) 1.113 41.983 ( -5.370 5.742 -9.337) 12.206 42.176 ( -1.816 -5.517 6.733) 8.892 42.378 ( -1.053 10.319 6.553) 12.269 45.775 ( 8.902 -8.367 0.310) 12.221======================= Grid point 19 (14/146) =======================q-point: (-0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( -17.896 -4.288 -2.778) 18.611 2.217 ( -16.831 4.429 -0.261) 17.405 2.639 ( 2.001 -3.356 -1.435) 4.162 2.801 ( -15.583 -11.251 -5.851) 20.091 3.107 ( -2.934 2.561 -1.084) 4.042 3.534 ( -15.528 3.430 -3.391) 16.260 3.752 ( -4.556 7.297 -0.410) 8.612 4.334 ( -26.455 -9.425 7.175) 28.986 4.515 ( 3.735 4.046 -2.096) 5.892 4.676 ( 1.851 -0.242 0.501) 1.933 4.785 ( 1.283 -1.898 2.700) 3.541 5.022 ( -4.737 0.795 2.212) 5.289 5.112 ( -3.227 -12.824 -1.832) 13.350 5.470 ( -6.592 2.454 5.716) 9.064 5.591 ( -3.843 1.334 -4.788) 6.283 5.855 ( 16.347 -0.169 4.744) 17.022 6.641 ( -1.663 3.745 -6.088) 7.338 7.449 ( -14.700 -6.005 2.059) 16.013 8.118 ( 1.002 1.989 2.415) 3.285 8.512 ( -1.466 0.397 -1.835) 2.382 9.617 ( 29.007 2.543 -2.644) 29.238 19.860 ( -0.126 0.429 -1.045) 1.136 19.962 ( -0.688 1.877 0.670) 2.108 20.017 ( -3.207 -1.089 1.220) 3.600 20.089 ( -1.044 -2.792 -0.184) 2.987 24.601 ( -0.506 -0.052 -0.557) 0.754 25.079 ( 0.641 0.217 0.282) 0.733 32.291 ( 1.031 -0.062 0.047) 1.034 32.376 ( 1.419 0.244 0.467) 1.514 41.916 ( -3.319 4.516 -7.253) 9.166 42.120 ( -1.631 -6.166 5.038) 8.128 42.476 ( -2.298 8.756 5.867) 10.788 45.858 ( 7.560 -5.690 4.445) 10.454======================= Grid point 20 (15/146) =======================q-point: (-0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( -20.753 -3.845 -4.261) 21.532 1.870 ( -27.790 0.243 -1.192) 27.817 2.359 ( -16.184 -9.469 -1.823) 18.839 2.658 ( -3.881 -0.207 -2.094) 4.414 2.905 ( -21.162 1.107 -1.329) 21.233 3.430 ( 2.181 1.578 -4.027) 4.844 3.635 ( -41.090 -11.940 4.746) 43.052 3.769 ( -0.356 3.486 0.005) 3.504 4.594 ( 0.237 6.913 -1.716) 7.127 4.721 ( 2.430 -3.495 4.082) 5.898 4.807 ( 1.301 0.546 0.056) 1.412 4.940 ( -0.806 -7.699 -2.217) 8.053 4.982 ( -3.257 -0.293 0.227) 3.278 5.388 ( -7.446 0.425 4.267) 8.593 5.496 ( -4.607 -0.195 -1.531) 4.858 6.196 ( 17.089 1.901 3.280) 17.505 6.626 ( -0.742 2.622 -4.080) 4.906 7.204 ( -10.647 -2.747 1.477) 11.095 8.153 ( 0.199 1.039 1.611) 1.927 8.482 ( -1.102 0.727 -1.717) 2.166 10.090 ( 25.267 1.377 -1.164) 25.332 19.862 ( 0.281 0.592 -0.776) 1.015 19.959 ( -3.028 -0.578 0.731) 3.168 19.968 ( -1.346 1.929 0.723) 2.461 20.034 ( -1.850 -3.075 -0.112) 3.591 24.589 ( -0.469 -0.040 -0.632) 0.788 25.094 ( 0.706 0.150 0.176) 0.743 32.311 ( 1.251 0.053 -0.018) 1.252 32.404 ( 1.382 0.216 0.360) 1.444 41.889 ( -0.563 2.632 -4.299) 5.072 42.054 ( -2.369 -4.235 2.987) 5.698 42.525 ( -2.592 4.829 3.771) 6.653 45.960 ( 5.691 -2.567 6.983) 9.367======================= Grid point 21 (16/146) =======================q-point: (-0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( -21.454 0.000 0.000) 21.454 1.305 ( -36.195 0.000 0.000) 36.195 1.989 ( -27.899 0.000 0.000) 27.899 2.347 ( -31.749 0.000 0.000) 31.749 2.480 ( -25.137 0.000 0.000) 25.137 3.118 ( -8.628 0.000 0.000) 8.628 3.495 ( 4.012 -0.000 -0.000) 4.012 3.808 ( 2.975 -0.000 -0.000) 2.975 4.622 ( -2.606 0.000 0.000) 2.606 4.677 ( -2.141 0.000 0.000) 2.141 4.872 ( 3.891 -0.000 -0.000) 3.891 4.903 ( 1.053 -0.000 -0.000) 1.053 4.935 ( -2.144 0.000 0.000) 2.144 5.278 ( -6.969 0.000 0.000) 6.969 5.429 ( -2.473 0.000 0.000) 2.473 6.455 ( 11.045 -0.000 -0.000) 11.045 6.624 ( -0.002 0.000 0.000) 0.002 7.045 ( -7.177 0.000 0.000) 7.177 8.162 ( -0.144 0.000 0.000) 0.144 8.479 ( 0.703 -0.000 -0.000) 0.703 10.465 ( 18.215 -0.000 -0.000) 18.215 19.871 ( 0.665 -0.000 -0.000) 0.665 19.916 ( -1.886 0.000 0.000) 1.886 19.959 ( -1.668 0.000 0.000) 1.668 19.977 ( -2.291 0.000 0.000) 2.291 24.580 ( -0.389 0.000 0.000) 0.389 25.107 ( 0.601 -0.000 -0.000) 0.601 32.332 ( 1.142 -0.000 -0.000) 1.142 32.427 ( 1.038 -0.000 -0.000) 1.038 41.899 ( 1.203 -0.000 -0.000) 1.203 41.995 ( -2.834 0.000 0.000) 2.834 42.521 ( -1.759 0.000 0.000) 1.759 46.056 ( 3.895 -0.000 -0.000) 3.895======================= Grid point 24 (17/146) =======================q-point: ( 0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( -0.000 16.923 22.106) 27.840 1.491 ( 0.000 31.851 4.362) 32.148 2.240 ( 0.000 10.633 3.693) 11.256 2.342 ( 0.000 34.074 6.426) 34.674 2.697 ( 0.000 13.747 -0.134) 13.748 3.251 ( 0.000 23.341 2.968) 23.529 3.711 ( -0.000 -1.642 14.955) 15.044 3.807 ( -0.000 -3.611 2.435) 4.356 4.497 ( 0.000 -3.542 -4.503) 5.729 4.788 ( 0.000 10.580 -4.262) 11.406 4.811 ( 0.000 3.399 -2.373) 4.146 4.850 ( 0.000 -7.017 -4.352) 8.257 4.880 ( -0.000 0.790 1.228) 1.460 5.334 ( 0.000 0.359 -6.872) 6.882 5.358 ( 0.000 7.650 -0.812) 7.693 6.556 ( -0.000 -4.177 1.868) 4.576 6.678 ( -0.000 -5.242 12.558) 13.608 6.952 ( 0.000 8.095 -9.406) 12.410 8.193 ( -0.000 0.807 0.794) 1.132 8.600 ( -0.000 -1.966 10.050) 10.241 10.102 ( 0.000 -18.480 -18.111) 25.875 19.829 ( 0.000 -1.027 -1.103) 1.507 19.931 ( 0.000 2.041 -0.700) 2.158 19.965 ( -0.000 0.590 0.837) 1.024 20.019 ( 0.000 4.088 0.053) 4.088 24.628 ( -0.000 -1.312 3.796) 4.016 25.098 ( 0.000 -0.637 -0.539) 0.835 32.323 ( -0.000 -1.355 -0.262) 1.380 32.406 ( 0.000 -1.100 -1.195) 1.625 41.774 ( 0.000 -4.283 -2.727) 5.078 42.211 ( -0.000 9.884 9.465) 13.685 42.583 ( -0.000 1.023 2.679) 2.867 45.333 ( 0.000 19.902 -56.056) 59.484======================= Grid point 25 (18/146) =======================q-point: ( 0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 2.927 15.949 18.661) 24.721 1.953 ( 15.206 24.960 5.819) 29.801 2.396 ( 2.474 14.800 4.713) 15.729 2.675 ( 3.120 2.323 4.110) 5.659 2.912 ( 14.235 18.983 1.392) 23.768 3.420 ( -0.850 2.924 3.383) 4.552 3.802 ( 1.405 7.800 3.084) 8.504 3.900 ( -0.573 25.310 8.274) 26.634 4.477 ( 3.953 -4.534 -6.706) 9.009 4.754 ( 1.998 -7.231 -2.764) 7.994 4.796 ( -4.201 7.411 0.160) 8.521 4.862 ( -0.823 2.890 -2.435) 3.868 4.948 ( 2.354 3.518 0.341) 4.246 5.300 ( 1.462 4.555 -9.000) 10.193 5.455 ( 2.916 4.590 -1.848) 5.743 6.370 ( -13.514 -8.060 6.295) 16.948 6.750 ( 3.262 -3.710 10.636) 11.727 7.036 ( 5.745 9.799 -10.320) 15.347 8.181 ( -2.360 1.158 0.089) 2.631 8.610 ( -1.508 -2.452 8.568) 9.039 9.818 ( -0.428 -23.572 -14.741) 27.805 19.832 ( 1.695 -0.672 -0.915) 2.040 19.944 ( -0.181 2.449 -1.107) 2.693 19.995 ( 2.212 0.367 0.576) 2.315 20.038 ( -2.169 3.761 0.293) 4.352 24.631 ( -0.421 -0.576 2.842) 2.930 25.086 ( -0.252 -0.610 -0.634) 0.916 32.305 ( -0.350 -1.205 -0.384) 1.312 32.385 ( -0.440 -1.156 -1.211) 1.731 41.764 ( 4.894 -3.927 -2.350) 6.700 42.315 ( -5.872 10.311 12.244) 17.050 42.590 ( -2.199 3.984 0.567) 4.586 45.313 ( 8.865 7.224 -41.853) 43.387======================= Grid point 26 (19/146) =======================q-point: ( 0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( 3.922 13.176 14.013) 19.631 2.410 ( 7.829 14.533 7.204) 18.012 2.580 ( 0.919 9.465 1.577) 9.639 2.797 ( 11.015 4.437 8.972) 14.883 3.189 ( -0.608 0.100 2.955) 3.019 3.580 ( 14.653 13.222 0.912) 19.758 3.895 ( 0.550 7.520 2.234) 7.864 4.217 ( 1.011 22.156 -6.228) 23.037 4.467 ( 1.208 4.198 -1.993) 4.801 4.756 ( 1.630 -4.356 -0.201) 4.656 4.793 ( -4.302 4.710 1.272) 6.504 4.863 ( 8.368 -4.057 0.144) 9.301 5.007 ( 0.051 5.525 -1.045) 5.624 5.385 ( 4.981 8.746 -8.648) 13.270 5.528 ( 2.884 2.787 -2.337) 4.642 6.055 ( -16.449 -11.536 9.550) 22.246 6.798 ( 0.530 -1.800 6.654) 6.913 7.234 ( 10.880 11.949 -9.256) 18.623 8.146 ( -3.173 1.255 -0.302) 3.426 8.596 ( -1.758 -1.352 4.811) 5.298 9.466 ( -4.453 -27.768 -8.691) 29.435 19.853 ( 1.564 -0.536 -0.388) 1.698 19.969 ( 0.820 2.867 -1.624) 3.396 20.021 ( -1.419 1.522 -0.076) 2.082 20.052 ( 1.656 1.183 0.908) 2.229 24.633 ( -0.446 -0.099 2.008) 2.059 25.072 ( -0.318 -0.441 -0.630) 0.832 32.286 ( -0.404 -0.951 -0.284) 1.072 32.359 ( -0.580 -1.076 -1.080) 1.631 41.831 ( 7.943 -2.818 -1.804) 8.620 42.354 ( -7.646 10.630 10.577) 16.833 42.589 ( -5.759 7.616 0.988) 9.599 45.315 ( 10.908 -4.697 -28.562) 30.933======================= Grid point 27 (20/146) =======================q-point: ( 0.45 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( 1.737 9.164 9.620) 13.399 2.551 ( 1.469 -1.240 5.368) 5.702 2.687 ( -2.318 13.780 3.513) 14.408 3.100 ( -2.917 -3.801 -1.359) 4.980 3.183 ( 12.739 8.330 11.642) 19.162 3.856 ( -1.715 15.753 -4.722) 16.534 4.087 ( 7.603 16.177 3.691) 18.252 4.233 ( -0.088 -4.097 -7.991) 8.980 4.564 ( -0.762 9.492 -3.351) 10.095 4.699 ( -1.684 -2.126 1.766) 3.236 4.804 ( -2.107 3.515 1.046) 4.229 4.988 ( 3.394 0.424 0.071) 3.421 5.135 ( 12.232 2.093 1.055) 12.454 5.519 ( 2.967 12.149 -5.371) 13.610 5.554 ( 0.673 -6.829 -1.275) 6.980 5.754 ( -9.521 -6.120 7.422) 13.535 6.800 ( -1.512 -1.026 2.408) 3.023 7.536 ( 15.127 13.066 -7.079) 21.205 8.097 ( -3.296 0.411 0.412) 3.347 8.564 ( -2.941 -2.055 1.531) 3.900 9.065 ( -6.302 -27.053 -3.778) 28.033 19.866 ( 0.823 -0.510 -0.072) 0.971 19.987 ( -1.585 1.806 -0.337) 2.427 20.027 ( 1.265 2.106 -0.972) 2.641 20.095 ( 2.057 -0.086 0.506) 2.120 24.634 ( -0.479 0.065 1.285) 1.372 25.062 ( -0.183 -0.203 -0.459) 0.534 32.271 ( -0.206 -0.708 -0.105) 0.745 32.337 ( -0.322 -0.882 -0.758) 1.207 41.945 ( 8.391 -1.258 -1.942) 8.704 42.388 ( -7.111 13.495 6.413) 16.547 42.538 ( -10.290 6.934 4.096) 13.066 45.311 ( 12.918 -12.394 -18.281) 25.587======================= Grid point 28 (21/146) =======================q-point: ( 0.55 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( -2.677 5.167 6.998) 9.101 2.569 ( 0.967 -3.805 4.888) 6.269 2.792 ( -3.590 12.962 2.324) 13.649 2.943 ( -7.328 -1.791 -4.449) 8.758 3.459 ( 3.822 0.977 5.023) 6.386 3.915 ( -6.390 18.315 -3.586) 19.726 4.162 ( 2.278 -2.578 -3.577) 4.963 4.346 ( 2.136 11.580 3.320) 12.235 4.593 ( 0.445 1.278 -2.010) 2.423 4.685 ( -1.552 3.307 0.932) 3.770 4.781 ( -2.059 0.504 -1.526) 2.612 4.994 ( -3.690 -1.314 5.283) 6.577 5.264 ( 1.763 -3.763 0.019) 4.156 5.469 ( 1.455 -3.875 -0.380) 4.157 5.663 ( -4.166 15.562 2.994) 16.386 5.733 ( 9.891 -7.475 -2.331) 12.615 6.750 ( -2.712 -1.541 -1.548) 3.482 7.902 ( 16.305 9.133 -4.824) 19.302 8.077 ( 1.438 2.033 1.895) 3.129 8.403 ( -11.107 -9.928 0.160) 14.898 8.780 ( 0.841 -15.169 -1.975) 15.320 19.870 ( 0.343 -0.559 -0.280) 0.713 19.975 ( -1.312 1.441 0.389) 1.988 20.065 ( 1.285 1.276 -0.623) 1.915 20.118 ( 0.889 -0.756 0.108) 1.172 24.630 ( -0.581 0.066 0.638) 0.865 25.058 ( 0.073 -0.001 -0.182) 0.196 32.264 ( 0.107 -0.527 0.021) 0.538 32.326 ( 0.282 -0.586 -0.343) 0.736 42.046 ( 4.899 0.980 -3.698) 6.216 42.402 ( -9.978 6.188 -1.519) 11.839 42.469 ( -7.605 12.251 12.075) 18.808 45.341 ( 15.348 -14.944 -10.314) 23.776======================= Grid point 29 (22/146) =======================q-point: (-0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( -9.582 1.892 5.246) 11.087 2.562 ( 0.021 -3.555 3.738) 5.158 2.705 ( -11.428 4.754 -4.352) 13.120 2.936 ( 1.569 6.479 -2.605) 7.157 3.342 ( -9.844 -9.916 -1.445) 14.047 3.956 ( -9.400 17.693 -1.252) 20.074 4.249 ( -0.791 7.674 0.359) 7.723 4.333 ( -8.267 1.683 2.421) 8.778 4.611 ( 3.255 -1.628 -0.124) 3.641 4.703 ( -4.615 2.343 4.465) 6.835 4.780 ( 4.983 -1.003 -4.538) 6.815 4.981 ( 1.804 1.287 5.276) 5.723 5.242 ( -0.005 -3.043 -1.259) 3.293 5.430 ( -0.328 -6.080 -2.200) 6.474 5.689 ( -3.349 3.948 1.732) 5.459 5.787 ( -1.644 -1.636 2.929) 3.736 6.696 ( -0.689 0.522 -4.423) 4.507 8.015 ( -14.122 -7.542 1.760) 16.107 8.057 ( 0.703 -0.001 0.126) 0.714 8.391 ( 15.233 7.115 -0.092) 16.813 8.749 ( 11.909 -8.615 -3.791) 15.179 19.866 ( -0.026 -0.373 -0.525) 0.644 19.979 ( -0.406 1.908 0.640) 2.053 20.081 ( -0.021 -0.304 0.286) 0.418 20.110 ( -0.614 -1.236 -0.394) 1.436 24.622 ( -0.683 0.020 0.147) 0.699 25.062 ( 0.346 0.100 0.042) 0.363 32.265 ( 0.469 -0.377 0.057) 0.604 32.332 ( 0.997 -0.244 -0.005) 1.026 42.082 ( -1.121 5.696 -7.723) 9.662 42.248 ( -9.694 -3.033 6.479) 12.047 42.555 ( -3.584 12.317 6.038) 14.178 45.441 ( 16.482 -12.097 -4.310) 20.894======================= Grid point 30 (23/146) =======================q-point: (-0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( -17.742 -0.578 1.482) 17.814 2.536 ( -9.894 4.001 4.167) 11.457 2.576 ( -0.569 0.583 -4.436) 4.510 2.904 ( -11.815 -4.373 -4.414) 13.349 3.109 ( -0.677 -3.859 0.130) 3.920 3.912 ( -13.421 10.725 0.047) 17.180 4.004 ( -21.772 4.489 -1.861) 22.308 4.417 ( 6.631 -1.207 2.045) 7.043 4.662 ( -7.720 2.536 3.718) 8.936 4.691 ( 1.486 6.877 -0.222) 7.039 4.757 ( -1.529 -3.998 0.480) 4.307 4.996 ( -2.529 -12.586 -1.673) 12.946 5.123 ( -6.109 -0.933 0.617) 6.211 5.501 ( 14.496 -0.112 -2.049) 14.641 5.655 ( -4.373 1.787 -0.540) 4.755 5.712 ( -5.284 -1.290 5.534) 7.759 6.679 ( -1.215 2.013 -3.396) 4.131 7.673 ( -16.705 -4.010 0.734) 17.196 8.117 ( 2.357 1.201 1.130) 2.877 8.536 ( -0.549 1.442 0.005) 1.543 9.083 ( 31.545 -1.866 -2.546) 31.703 19.860 ( -0.048 0.029 -0.427) 0.431 20.000 ( -0.314 2.683 0.543) 2.755 20.061 ( -1.755 -1.250 1.028) 2.387 20.073 ( -1.394 -1.935 -0.960) 2.570 24.610 ( -0.718 -0.009 -0.092) 0.724 25.072 ( 0.567 0.092 0.101) 0.583 32.274 ( 0.854 -0.184 0.032) 0.874 32.353 ( 1.503 -0.008 0.127) 1.508 42.033 ( -7.656 7.649 -8.447) 13.729 42.124 ( -2.590 -7.017 7.785) 10.797 42.621 ( -2.884 6.690 3.169) 7.945 45.610 ( 15.069 -5.902 -0.453) 16.190======================= Grid point 31 (24/146) =======================q-point: (-0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( -21.243 0.000 0.000) 21.243 2.311 ( -21.238 0.000 0.000) 21.238 2.560 ( -12.563 0.000 0.000) 12.563 2.633 ( -0.162 0.000 0.000) 0.162 3.127 ( -0.923 0.000 0.000) 0.923 3.579 ( -21.766 0.000 0.000) 21.766 3.842 ( -5.789 0.000 0.000) 5.789 4.262 ( -34.439 0.000 0.000) 34.439 4.549 ( 6.420 -0.000 -0.000) 6.420 4.730 ( -0.256 0.000 0.000) 0.256 4.811 ( -1.564 0.000 0.000) 1.564 4.844 ( 3.178 -0.000 -0.000) 3.178 5.051 ( -4.196 0.000 0.000) 4.196 5.533 ( -7.501 0.000 0.000) 7.501 5.579 ( -5.361 0.000 0.000) 5.361 5.887 ( 20.169 -0.000 -0.000) 20.169 6.653 ( -1.804 0.000 0.000) 1.804 7.398 ( -13.783 0.000 0.000) 13.783 8.155 ( 0.948 -0.000 -0.000) 0.948 8.512 ( -2.087 0.000 0.000) 2.087 9.610 ( 31.068 -0.000 -0.000) 31.068 19.860 ( 0.075 -0.000 -0.000) 0.075 20.012 ( -3.188 0.000 0.000) 3.188 20.017 ( -1.749 0.000 0.000) 1.749 20.026 ( -0.472 0.000 0.000) 0.472 24.598 ( -0.666 0.000 0.000) 0.666 25.083 ( 0.697 -0.000 -0.000) 0.697 32.290 ( 1.165 -0.000 -0.000) 1.165 32.380 ( 1.620 -0.000 -0.000) 1.620 41.936 ( -4.643 0.000 0.000) 4.643 42.077 ( -1.928 0.000 0.000) 1.928 42.611 ( -3.074 0.000 0.000) 3.074 45.810 ( 11.373 -0.000 -0.000) 11.373======================= Grid point 36 (25/146) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( -0.000 16.740 16.134) 23.249 2.072 ( 0.000 22.155 4.906) 22.692 2.512 ( 0.000 14.350 2.395) 14.549 2.684 ( -0.000 -2.016 3.763) 4.269 3.026 ( 0.000 22.877 4.827) 23.381 3.468 ( -0.000 -2.673 5.912) 6.488 3.778 ( -0.000 -3.061 4.324) 5.298 4.306 ( 0.000 38.314 8.752) 39.301 4.352 ( 0.000 -5.327 -6.575) 8.462 4.664 ( 0.000 -3.896 -6.797) 7.834 4.892 ( 0.000 3.804 1.412) 4.058 4.912 ( 0.000 5.121 -1.729) 5.405 4.998 ( 0.000 10.252 -0.261) 10.256 5.235 ( 0.000 -1.360 -10.124) 10.215 5.484 ( 0.000 6.909 -2.403) 7.315 6.485 ( -0.000 -5.391 2.588) 5.980 6.675 ( -0.000 -12.012 16.973) 20.794 7.041 ( 0.000 12.976 -11.921) 17.620 8.210 ( -0.000 0.006 0.727) 0.727 8.627 ( -0.000 -4.781 8.359) 9.629 9.516 ( 0.000 -22.128 -16.752) 27.753 19.808 ( 0.000 -0.201 -0.597) 0.630 19.971 ( 0.000 3.015 -1.320) 3.291 19.980 ( -0.000 0.143 0.682) 0.697 20.092 ( 0.000 3.064 0.072) 3.065 24.643 ( -0.000 -0.497 2.577) 2.624 25.079 ( 0.000 -0.604 -0.671) 0.903 32.295 ( 0.000 -0.882 -0.543) 1.035 32.372 ( 0.000 -1.184 -1.078) 1.601 41.675 ( 0.000 -3.097 -2.099) 3.741 42.566 ( -0.000 12.513 16.610) 20.796 42.613 ( -0.000 -0.455 2.031) 2.081 45.108 ( 0.000 8.044 -42.138) 42.899======================= Grid point 37 (26/146) =======================q-point: ( 0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 0.086 14.904 11.367) 18.744 2.377 ( 9.388 11.601 5.524) 15.913 2.675 ( 3.164 4.452 3.265) 6.364 2.791 ( 6.375 13.149 6.338) 15.928 3.180 ( 0.134 0.060 1.840) 1.846 3.541 ( 4.292 12.850 6.467) 15.012 3.859 ( 8.407 -0.777 4.758) 9.692 4.280 ( 0.438 -2.916 -8.590) 9.082 4.608 ( 1.444 -1.388 -4.740) 5.145 4.678 ( -2.194 28.887 4.255) 29.281 4.865 ( -4.883 0.859 -0.852) 5.031 4.929 ( -4.358 4.969 0.783) 6.656 5.067 ( -0.269 5.873 0.599) 5.910 5.280 ( 8.360 4.853 -8.771) 13.053 5.547 ( 1.011 7.117 -2.763) 7.701 6.264 ( -15.272 -11.325 8.641) 20.885 6.716 ( 6.785 -11.249 8.964) 15.904 7.179 ( 5.646 17.489 -11.230) 21.537 8.196 ( -1.747 -0.086 0.565) 1.838 8.616 ( -0.175 -3.973 5.379) 6.689 9.203 ( -2.190 -24.363 -12.051) 27.269 19.819 ( 1.449 0.028 -0.373) 1.497 19.983 ( 0.145 2.015 -0.540) 2.091 20.007 ( 1.260 1.102 -0.437) 1.730 20.100 ( -1.849 2.137 0.225) 2.835 24.649 ( -0.313 -0.197 2.011) 2.045 25.069 ( -0.144 -0.457 -0.639) 0.799 32.283 ( -0.317 -0.545 -0.415) 0.755 32.352 ( -0.389 -1.057 -0.930) 1.460 41.684 ( 5.072 -2.184 -1.578) 5.744 42.589 ( -3.202 4.209 2.838) 6.002 42.758 ( -2.636 9.536 16.356) 19.115 45.001 ( 4.326 0.676 -34.899) 35.173======================= Grid point 38 (27/146) =======================q-point: ( 0.45 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( -0.027 10.887 6.405) 12.631 2.534 ( 1.176 0.035 5.967) 6.082 2.903 ( 3.222 10.389 6.783) 12.819 2.927 ( 5.050 -1.604 1.921) 5.636 3.271 ( 3.610 9.349 7.987) 12.815 3.847 ( 12.688 13.006 -2.515) 18.343 4.067 ( 11.072 3.457 3.701) 12.175 4.203 ( -2.908 0.400 -7.928) 8.454 4.629 ( 1.380 -5.391 -4.353) 7.065 4.672 ( -1.588 2.296 -3.978) 4.859 4.901 ( -2.546 2.928 2.266) 4.493 4.958 ( -2.932 15.895 4.169) 16.692 5.129 ( 0.563 6.343 1.430) 6.526 5.415 ( 5.638 1.218 -4.899) 7.568 5.624 ( -0.721 8.080 -2.361) 8.449 5.935 ( -13.437 -8.670 8.148) 17.948 6.744 ( 4.512 -8.957 2.288) 10.287 7.437 ( 9.320 18.179 -8.224) 22.022 8.154 ( -3.115 -1.045 0.973) 3.427 8.595 ( -1.444 -2.124 2.199) 3.381 8.852 ( -3.837 -26.144 -5.948) 27.086 19.843 ( 1.337 -0.211 -0.150) 1.361 20.014 ( 0.921 2.860 -0.936) 3.147 20.024 ( 0.142 -0.153 -0.180) 0.276 20.091 ( -0.863 1.232 0.400) 1.556 24.649 ( -0.500 -0.004 1.357) 1.446 25.060 ( -0.116 -0.238 -0.484) 0.552 32.271 ( -0.411 -0.341 -0.149) 0.555 32.331 ( -0.444 -0.842 -0.706) 1.185 41.779 ( 8.436 -1.138 -1.126) 8.587 42.612 ( -2.497 8.844 -1.743) 9.354 42.830 ( -9.252 8.329 18.035) 21.914 44.910 ( 7.735 -8.366 -24.970) 27.447======================= Grid point 39 (28/146) =======================q-point: ( 0.55 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( -1.251 5.979 3.300) 6.943 2.557 ( -0.925 -1.879 7.470) 7.758 2.903 ( 0.221 1.120 -1.536) 1.914 3.046 ( -2.968 1.683 0.724) 3.488 3.501 ( 2.661 12.069 11.937) 17.182 4.056 ( -1.388 4.630 -5.416) 7.259 4.129 ( 2.307 5.316 -8.686) 10.442 4.318 ( 11.134 5.006 1.368) 12.284 4.532 ( 0.269 -6.334 -0.837) 6.394 4.728 ( 0.345 2.827 -0.576) 2.906 4.960 ( -1.075 6.518 4.751) 8.137 5.016 ( -0.736 5.093 0.320) 5.156 5.228 ( 2.021 4.513 0.449) 4.965 5.383 ( -2.250 -8.089 1.599) 8.547 5.557 ( -0.499 -8.042 -3.049) 8.615 5.915 ( -2.233 18.978 3.232) 19.381 6.702 ( 1.280 -10.270 -1.647) 10.480 7.739 ( 11.455 13.937 -5.993) 19.010 8.091 ( -1.903 -2.886 2.165) 4.079 8.468 ( -8.493 -11.512 -1.261) 14.362 8.614 ( 1.895 -10.678 -0.432) 10.853 19.856 ( 0.662 -0.425 -0.090) 0.792 20.007 ( -1.317 0.404 -0.090) 1.380 20.058 ( 1.363 1.926 -0.406) 2.394 20.099 ( 0.621 -0.027 0.118) 0.632 24.645 ( -0.655 0.045 0.721) 0.975 25.056 ( 0.045 -0.054 -0.245) 0.255 32.262 ( -0.265 -0.253 0.022) 0.367 32.316 ( -0.074 -0.569 -0.395) 0.697 41.916 ( 8.738 -0.204 -1.091) 8.808 42.615 ( -6.984 7.808 -3.903) 11.179 42.817 ( -11.468 9.815 15.105) 21.355 44.877 ( 13.669 -13.075 -14.364) 23.751======================= Grid point 40 (29/146) =======================q-point: (-0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( -4.040 2.599 2.390) 5.366 2.548 ( -1.181 -2.261 4.744) 5.387 2.851 ( -6.048 -1.456 -4.965) 7.960 3.017 ( -1.646 6.025 0.995) 6.325 3.487 ( -14.974 -0.752 1.404) 15.059 4.159 ( 10.711 5.061 4.260) 12.589 4.192 ( -0.964 8.399 -4.750) 9.698 4.440 ( 6.423 -9.299 -4.937) 12.332 4.568 ( -1.414 6.801 8.977) 11.351 4.710 ( -1.921 1.892 -6.747) 7.266 4.902 ( -12.140 3.169 1.664) 12.656 5.046 ( -1.379 4.766 5.200) 7.187 5.206 ( 0.050 -2.475 -1.695) 3.000 5.374 ( -1.471 -6.904 -1.669) 7.253 5.536 ( 10.544 -5.470 -1.312) 11.951 6.048 ( -9.346 15.745 4.812) 18.932 6.616 ( 4.109 -8.180 -3.789) 9.907 7.975 ( 6.875 2.237 -1.760) 7.441 8.149 ( 7.506 2.088 0.756) 7.827 8.209 ( -5.927 -6.210 0.094) 8.585 8.576 ( 1.572 -4.729 -0.970) 5.077 19.858 ( 0.233 -0.315 -0.146) 0.418 19.998 ( -0.211 0.522 0.238) 0.611 20.083 ( -0.125 0.755 -0.202) 0.791 20.105 ( 0.353 -0.490 -0.016) 0.605 24.636 ( -0.769 0.024 0.230) 0.803 25.058 ( 0.248 0.026 -0.049) 0.254 32.258 ( 0.052 -0.178 0.041) 0.190 32.315 ( 0.588 -0.244 -0.111) 0.646 42.039 ( 5.845 0.631 -1.348) 6.031 42.474 ( -13.186 1.887 0.246) 13.323 42.794 ( -8.626 8.376 5.384) 13.174 44.997 ( 19.183 -8.954 -5.197) 21.799======================= Grid point 41 (30/146) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.026 ( -11.991 0.000 0.000) 11.991 2.536 ( 0.320 -0.000 -0.000) 0.320 2.716 ( -6.783 0.000 0.000) 6.783 3.062 ( 1.287 -0.000 -0.000) 1.287 3.168 ( -18.653 0.000 0.000) 18.653 4.157 ( -9.212 0.000 0.000) 9.212 4.319 ( 4.421 -0.000 -0.000) 4.421 4.409 ( -18.883 0.000 0.000) 18.883 4.571 ( 13.352 -0.000 -0.000) 13.352 4.733 ( 2.007 -0.000 -0.000) 2.007 4.759 ( -4.860 0.000 0.000) 4.860 5.081 ( -7.836 0.000 0.000) 7.836 5.223 ( -6.921 0.000 0.000) 6.921 5.238 ( 11.461 -0.000 -0.000) 11.461 5.647 ( 3.958 -0.000 -0.000) 3.958 5.918 ( -13.103 0.000 0.000) 13.103 6.660 ( 3.636 -0.000 -0.000) 3.636 7.931 ( -15.686 0.000 0.000) 15.686 8.067 ( 4.452 -0.000 -0.000) 4.452 8.547 ( 27.564 -0.000 -0.000) 27.564 8.556 ( -0.054 0.000 0.000) 0.054 19.859 ( 0.086 -0.000 -0.000) 0.086 20.009 ( 0.787 -0.000 -0.000) 0.787 20.070 ( -1.236 0.000 0.000) 1.236 20.097 ( -1.157 0.000 0.000) 1.157 24.623 ( -0.797 0.000 0.000) 0.797 25.064 ( 0.430 -0.000 -0.000) 0.430 32.261 ( 0.472 -0.000 -0.000) 0.472 32.330 ( 1.206 -0.000 -0.000) 1.206 42.103 ( 1.642 -0.000 -0.000) 1.642 42.250 ( -13.341 0.000 0.000) 13.341 42.731 ( -5.262 0.000 0.000) 5.262 45.277 ( 19.580 -0.000 -0.000) 19.580======================= Grid point 48 (31/146) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.046 ( 0.000 13.419 6.999) 15.135 2.429 ( 0.000 9.763 4.930) 10.937 2.695 ( -0.000 -0.934 6.716) 6.781 2.848 ( 0.000 18.240 -0.359) 18.243 3.190 ( -0.000 -7.413 1.343) 7.533 3.712 ( -0.000 16.691 10.981) 19.979 3.755 ( -0.000 -5.556 6.414) 8.486 4.173 ( 0.000 -5.003 -7.445) 8.970 4.617 ( 0.000 5.936 -6.781) 9.013 4.912 ( 0.000 1.170 0.598) 1.314 5.007 ( 0.000 4.929 1.050) 5.040 5.013 ( 0.000 18.154 4.478) 18.699 5.152 ( 0.000 7.092 -7.541) 10.352 5.180 ( 0.000 8.372 -2.102) 8.632 5.589 ( 0.000 7.131 -2.913) 7.703 6.398 ( -0.000 -6.222 2.580) 6.736 6.464 ( -0.000 -25.487 11.722) 28.053 7.283 ( 0.000 23.939 -10.027) 25.954 8.208 ( -0.000 -0.675 0.475) 0.825 8.588 ( -0.000 -5.822 3.671) 6.883 8.953 ( -0.000 -20.878 -9.357) 22.878 19.808 ( 0.000 0.514 -0.125) 0.529 19.984 ( -0.000 -0.266 0.449) 0.522 20.022 ( 0.000 3.564 -1.360) 3.814 20.131 ( 0.000 0.772 0.038) 0.773 24.659 ( -0.000 -0.140 1.651) 1.657 25.063 ( 0.000 -0.371 -0.569) 0.679 32.281 ( 0.000 -0.147 -0.380) 0.407 32.342 ( 0.000 -0.903 -0.724) 1.158 41.615 ( 0.000 -1.446 -1.163) 1.855 42.610 ( -0.000 -1.260 1.104) 1.675 42.998 ( -0.000 11.141 21.125) 23.883 44.812 ( 0.000 1.631 -33.811) 33.850======================= Grid point 49 (32/146) =======================q-point: ( 0.45 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.167 ( -1.651 9.413 2.526) 9.885 2.562 ( 2.439 4.101 5.619) 7.372 2.764 ( 5.746 0.329 5.010) 7.630 3.049 ( -4.627 -2.816 1.361) 5.585 3.207 ( 17.476 14.586 0.701) 22.774 3.786 ( 6.417 -5.100 6.309) 10.343 3.943 ( 4.450 9.543 6.206) 12.222 4.141 ( 3.818 -2.514 -5.105) 6.853 4.574 ( -5.242 -1.648 -8.193) 9.865 4.819 ( -7.967 6.958 -3.220) 11.057 5.036 ( -4.713 5.247 3.305) 7.789 5.163 ( 0.523 4.077 1.649) 4.429 5.186 ( -1.511 12.214 2.433) 12.545 5.328 ( 4.745 6.199 -4.500) 9.011 5.681 ( 2.441 8.288 -2.048) 8.879 6.068 ( -11.680 -16.568 5.524) 21.011 6.506 ( 10.242 -13.404 2.004) 16.988 7.510 ( 2.610 25.035 -7.227) 26.187 8.187 ( -1.916 -1.564 0.696) 2.569 8.539 ( 2.068 -12.132 0.817) 12.334 8.699 ( -4.840 -13.433 -3.580) 14.720 19.822 ( 0.951 0.368 -0.030) 1.020 19.994 ( 1.268 -0.261 0.316) 1.332 20.047 ( -0.342 3.337 -1.221) 3.570 20.120 ( -1.313 -0.310 0.229) 1.369 24.663 ( -0.306 -0.038 1.090) 1.133 25.057 ( -0.041 -0.211 -0.403) 0.457 32.276 ( -0.356 0.015 -0.173) 0.396 32.328 ( -0.354 -0.651 -0.512) 0.900 41.645 ( 5.263 -0.753 -0.703) 5.363 42.634 ( 3.067 0.937 -0.208) 3.214 43.149 ( -6.037 8.544 19.400) 22.041 44.663 ( 0.595 -2.419 -25.957) 26.076======================= Grid point 50 (33/146) =======================q-point: ( 0.55 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( -2.112 3.856 0.335) 4.409 2.635 ( -2.312 2.765 7.581) 8.394 2.823 ( 3.986 -4.927 -3.851) 7.415 3.055 ( 3.695 1.342 2.833) 4.846 3.627 ( 8.005 14.342 8.095) 18.311 3.991 ( 20.112 -4.437 -4.148) 21.009 4.109 ( 5.195 4.091 1.096) 6.703 4.131 ( -2.656 4.199 -2.156) 5.416 4.387 ( 0.324 -12.564 -4.485) 13.345 4.785 ( -3.918 5.939 -1.424) 7.256 5.025 ( -4.363 7.766 3.534) 9.583 5.190 ( -3.890 5.384 1.602) 6.833 5.263 ( 0.920 3.507 -0.058) 3.626 5.386 ( 0.134 0.170 -0.499) 0.544 5.559 ( -12.603 -11.118 -0.337) 16.810 6.056 ( 8.077 12.933 1.365) 15.309 6.515 ( 4.525 -13.030 -0.840) 13.819 7.750 ( 3.200 18.766 -4.897) 19.656 8.100 ( -3.793 -7.456 1.860) 8.570 8.396 ( -0.378 -13.779 -1.158) 13.833 8.576 ( -2.422 -0.964 0.375) 2.634 19.840 ( 0.855 -0.019 -0.010) 0.855 20.015 ( 0.819 -0.302 0.086) 0.877 20.061 ( -0.336 2.307 -0.651) 2.421 20.099 ( -0.461 -0.608 0.255) 0.805 24.659 ( -0.555 0.010 0.485) 0.737 25.054 ( 0.024 -0.063 -0.180) 0.192 32.268 ( -0.504 0.000 -0.008) 0.505 32.314 ( -0.371 -0.342 -0.256) 0.566 41.759 ( 8.644 -0.244 -0.346) 8.654 42.702 ( 1.554 2.897 -1.504) 3.615 43.155 ( -10.515 5.547 11.905) 16.824 44.554 ( 4.491 -5.447 -13.007) 14.800======================= Grid point 51 (34/146) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.192 ( -1.405 0.000 0.000) 1.405 2.602 ( -3.991 0.000 0.000) 3.991 2.856 ( 2.481 -0.000 -0.000) 2.481 3.082 ( -2.198 0.000 0.000) 2.198 3.795 ( -17.127 0.000 0.000) 17.127 3.936 ( 14.521 -0.000 -0.000) 14.521 4.224 ( 3.171 -0.000 -0.000) 3.171 4.290 ( 2.704 -0.000 -0.000) 2.704 4.484 ( 17.014 -0.000 -0.000) 17.014 4.762 ( -2.051 0.000 0.000) 2.051 5.105 ( 6.229 -0.000 -0.000) 6.229 5.116 ( -9.662 0.000 0.000) 9.662 5.231 ( -12.479 0.000 0.000) 12.479 5.314 ( 2.632 -0.000 -0.000) 2.632 5.394 ( 0.931 -0.000 -0.000) 0.931 6.360 ( -8.929 0.000 0.000) 8.929 6.368 ( 12.182 -0.000 -0.000) 12.182 7.896 ( 4.030 -0.000 -0.000) 4.030 8.031 ( 2.997 -0.000 -0.000) 2.997 8.295 ( -4.651 0.000 0.000) 4.651 8.547 ( -0.492 0.000 0.000) 0.492 19.851 ( 0.467 -0.000 -0.000) 0.467 20.009 ( -0.831 0.000 0.000) 0.831 20.084 ( 1.405 -0.000 -0.000) 1.405 20.093 ( -0.184 0.000 0.000) 0.184 24.649 ( -0.723 0.000 0.000) 0.723 25.054 ( 0.136 -0.000 -0.000) 0.136 32.260 ( -0.350 0.000 0.000) 0.350 32.308 ( 0.023 -0.000 -0.000) 0.023 41.910 ( 8.886 -0.000 -0.000) 8.886 42.669 ( -7.419 0.000 0.000) 7.419 43.027 ( -11.372 0.000 0.000) 11.372 44.643 ( 13.982 -0.000 -0.000) 13.982======================= Grid point 61 (35/146) =======================q-point: ( 0.45 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( 0.000 5.121 0.492) 5.144 2.581 ( -0.000 2.645 2.040) 3.340 2.787 ( -0.000 2.771 6.257) 6.843 3.017 ( -0.000 -7.530 -1.685) 7.716 3.156 ( 0.000 11.989 -1.331) 12.063 3.673 ( -0.000 -7.604 4.567) 8.870 4.047 ( 0.000 -1.267 -4.019) 4.214 4.081 ( -0.000 8.647 8.804) 12.341 4.579 ( 0.000 -2.955 -8.280) 8.792 4.946 ( 0.000 4.200 -0.908) 4.297 5.103 ( 0.000 2.785 1.221) 3.041 5.257 ( 0.000 1.877 -1.516) 2.413 5.271 ( 0.000 12.058 5.277) 13.162 5.380 ( 0.000 10.826 -2.568) 11.126 5.696 ( 0.000 4.863 -1.502) 5.090 5.983 ( -0.000 -26.438 1.867) 26.503 6.311 ( -0.000 -3.816 1.302) 4.032 7.718 ( 0.000 24.784 -4.615) 25.210 8.199 ( -0.000 -0.417 0.163) 0.447 8.352 ( -0.000 -19.880 0.213) 19.881 8.657 ( -0.000 -3.468 -0.512) 3.505 19.819 ( 0.000 0.388 0.029) 0.389 19.981 ( -0.000 -0.231 0.149) 0.275 20.078 ( 0.000 3.160 -0.848) 3.272 20.124 ( -0.000 -1.593 0.278) 1.617 24.669 ( -0.000 -0.022 0.584) 0.585 25.054 ( 0.000 -0.114 -0.224) 0.251 32.279 ( 0.000 0.098 -0.098) 0.138 32.324 ( 0.000 -0.356 -0.267) 0.445 41.591 ( 0.000 -0.334 -0.346) 0.481 42.596 ( -0.000 -0.671 0.323) 0.745 43.355 ( -0.000 5.049 13.120) 14.058 44.543 ( 0.000 -0.683 -16.897) 16.911======================= Grid point 62 (36/146) =======================q-point: (-0.45 -0.55 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.267 ( -2.469 0.000 0.000) 2.469 2.660 ( 6.473 -0.000 -0.000) 6.473 2.769 ( -5.094 0.000 0.000) 5.094 2.996 ( 3.464 -0.000 -0.000) 3.464 3.455 ( 25.101 -0.000 -0.000) 25.101 3.668 ( 3.064 -0.000 -0.000) 3.064 4.064 ( 3.493 -0.000 -0.000) 3.493 4.178 ( 2.798 -0.000 -0.000) 2.798 4.421 ( -11.528 0.000 0.000) 11.528 4.906 ( -5.963 0.000 0.000) 5.963 5.167 ( 2.217 -0.000 -0.000) 2.217 5.261 ( -0.578 0.000 0.000) 0.578 5.264 ( -7.485 0.000 0.000) 7.485 5.402 ( -1.380 0.000 0.000) 1.380 5.717 ( -11.219 0.000 0.000) 11.219 5.891 ( 14.932 -0.000 -0.000) 14.932 6.361 ( 5.910 -0.000 -0.000) 5.910 7.855 ( -0.384 0.000 0.000) 0.384 8.120 ( -5.254 0.000 0.000) 5.254 8.287 ( 3.660 -0.000 -0.000) 3.660 8.617 ( -2.549 0.000 0.000) 2.549 19.827 ( 0.675 -0.000 -0.000) 0.675 19.992 ( 1.286 -0.000 -0.000) 1.286 20.096 ( -1.446 0.000 0.000) 1.446 20.096 ( -0.127 0.000 0.000) 0.127 24.668 ( -0.313 0.000 0.000) 0.313 25.053 ( 0.002 -0.000 -0.000) 0.002 32.276 ( -0.382 0.000 0.000) 0.382 32.318 ( -0.346 0.000 0.000) 0.346 41.635 ( 5.322 -0.000 -0.000) 5.322 42.641 ( 4.852 -0.000 -0.000) 4.852 43.361 ( -6.282 0.000 0.000) 6.282 44.479 ( -1.144 0.000 0.000) 1.144======================= Grid point 137 (37/146) =======================q-point: ( 0.09 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.343 ( -0.000 0.000 22.758) 22.758 0.343 ( -0.000 0.000 22.758) 22.758 0.661 ( -0.000 0.000 43.444) 43.444 1.981 ( -0.000 0.000 3.278) 3.278 1.981 ( -0.000 0.000 3.278) 3.278 3.116 ( -0.000 0.000 0.086) 0.086 3.906 ( -0.000 0.000 1.215) 1.215 4.546 ( 0.000 -0.000 -1.108) 1.108 4.604 ( 0.000 -0.000 -3.597) 3.597 4.604 ( 0.000 -0.000 -3.597) 3.597 4.930 ( -0.000 0.000 -1.171) 1.171 4.930 ( 0.000 -0.000 -1.171) 1.171 5.014 ( 0.000 -0.000 -8.639) 8.639 5.109 ( 0.000 0.000 -1.977) 1.977 5.109 ( 0.000 -0.000 -1.977) 1.977 6.663 ( -0.000 0.000 4.452) 4.452 6.663 ( -0.000 0.000 4.452) 4.452 6.932 ( -0.000 0.000 1.235) 1.235 8.149 ( 0.000 -0.000 -1.010) 1.010 8.149 ( 0.000 -0.000 -1.010) 1.010 10.350 ( -0.000 0.000 0.316) 0.316 19.887 ( 0.000 -0.000 -1.173) 1.173 19.887 ( 0.000 -0.000 -1.173) 1.173 19.926 ( -0.000 0.000 1.159) 1.159 19.926 ( -0.000 0.000 1.159) 1.159 24.861 ( 0.000 -0.000 -0.184) 0.184 25.117 ( 0.000 -0.000 -0.068) 0.068 32.382 ( -0.000 0.000 0.151) 0.151 32.445 ( 0.000 -0.000 -0.104) 0.104 41.938 ( 0.000 0.000 0.658) 0.658 41.938 ( 0.000 -0.000 0.658) 0.658 42.489 ( 0.000 -0.000 -0.914) 0.914 42.489 ( 0.000 -0.000 -0.914) 0.914======================= Grid point 138 (38/146) =======================q-point: ( 0.18 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.822 ( 11.161 6.444 27.632) 30.489 0.936 ( 28.450 16.426 14.068) 35.737 1.451 ( 47.650 27.511 15.525) 57.170 2.051 ( 5.450 3.147 2.258) 6.686 2.220 ( 17.873 10.319 4.636) 21.152 3.084 ( -2.134 -1.232 -0.421) 2.500 3.872 ( -3.445 -1.989 1.388) 4.213 3.964 ( -24.273 -14.014 23.194) 36.380 4.557 ( 0.676 0.390 -1.068) 1.323 4.608 ( 3.076 1.776 -3.391) 4.911 4.703 ( 1.383 0.798 -12.289) 12.393 5.002 ( 2.364 1.365 2.310) 3.575 5.025 ( -2.206 -1.274 2.997) 3.933 5.060 ( 1.709 0.987 -7.670) 7.920 5.375 ( 5.467 3.156 -5.114) 8.125 6.580 ( -8.440 -4.873 3.524) 10.363 6.714 ( 0.388 0.224 6.860) 6.874 6.859 ( 3.382 1.953 -6.190) 7.319 8.123 ( -0.703 -0.406 -2.242) 2.384 8.532 ( 7.750 4.474 2.480) 9.286 10.456 ( 1.661 0.959 -15.015) 15.137 19.866 ( 0.251 0.145 -1.672) 1.697 19.896 ( -0.112 -0.065 -0.398) 0.419 19.921 ( 0.155 0.090 0.692) 0.715 19.963 ( 2.055 1.186 0.783) 2.499 24.694 ( -6.009 -3.469 6.948) 9.820 25.109 ( -0.447 -0.258 -0.400) 0.653 32.356 ( -1.366 -0.789 0.674) 1.715 32.425 ( -0.803 -0.464 -0.974) 1.345 41.947 ( 1.847 1.067 0.163) 2.139 41.981 ( 0.603 0.348 3.987) 4.047 42.422 ( -2.451 -1.415 -4.410) 5.240 44.514 ( 80.138 46.268 -87.486) 127.344======================= Grid point 139 (39/146) =======================q-point: ( 0.27 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( 10.766 6.216 25.464) 28.336 1.600 ( 23.221 13.407 10.776) 28.898 2.261 ( 13.121 7.575 1.340) 15.209 2.469 ( 31.241 18.037 10.693) 37.626 2.727 ( 17.915 10.343 4.391) 21.147 3.129 ( 15.989 9.231 -3.653) 18.821 3.679 ( -11.454 -6.613 9.850) 16.490 3.784 ( -4.375 -2.526 0.683) 5.098 4.569 ( 0.627 0.362 1.140) 1.350 4.679 ( 3.754 2.167 -4.271) 6.085 4.694 ( 1.911 1.103 -8.168) 8.461 4.971 ( -2.991 -1.727 0.284) 3.466 5.027 ( 1.318 0.761 0.224) 1.538 5.137 ( 6.590 3.805 -6.752) 10.173 5.446 ( 3.443 1.988 -1.885) 4.400 6.373 ( -11.180 -6.455 2.991) 13.252 6.745 ( -0.862 -0.498 7.432) 7.499 6.971 ( 8.904 5.141 -7.206) 12.555 8.096 ( -0.682 -0.394 -2.666) 2.780 8.602 ( -1.788 -1.032 8.880) 9.117 10.281 ( -9.997 -5.772 -11.514) 16.304 19.884 ( 2.156 1.245 -2.228) 3.341 19.886 ( -0.539 -0.311 0.338) 0.708 19.932 ( 0.392 0.226 0.173) 0.485 20.022 ( 2.735 1.579 0.416) 3.185 24.643 ( -1.845 -1.065 3.935) 4.475 25.094 ( -0.611 -0.353 -0.644) 0.955 32.329 ( -1.199 -0.692 -0.013) 1.385 32.400 ( -0.920 -0.531 -1.358) 1.724 42.008 ( -0.492 -0.284 6.900) 6.924 42.018 ( 3.873 2.236 1.474) 4.709 42.336 ( -2.514 -1.452 -7.371) 7.922 45.274 ( 28.980 16.731 -49.639) 59.865======================= Grid point 140 (40/146) =======================q-point: ( 0.36 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( 9.334 5.389 20.712) 23.349 2.032 ( 11.795 6.810 6.225) 14.975 2.666 ( 20.535 11.856 3.643) 23.990 2.778 ( -1.596 -0.921 3.071) 3.581 3.049 ( 12.132 7.004 8.711) 16.496 3.523 ( -2.725 -1.573 3.798) 4.932 3.696 ( -3.334 -1.925 -0.735) 3.919 3.822 ( 32.759 18.914 -5.646) 38.246 4.588 ( -0.657 -0.379 3.112) 3.203 4.697 ( 0.856 0.494 -2.173) 2.387 4.702 ( 0.726 0.419 -4.662) 4.737 4.912 ( -1.013 -0.585 -2.801) 3.036 5.104 ( 5.775 3.334 -2.155) 7.008 5.254 ( 6.055 3.496 -4.324) 8.221 5.546 ( 6.906 3.987 -1.604) 8.134 6.102 ( -15.111 -8.724 6.434) 18.597 6.750 ( -1.709 -0.987 6.054) 6.368 7.179 ( 13.009 7.511 -7.343) 16.721 8.065 ( -0.947 -0.547 -2.063) 2.335 8.592 ( -2.009 -1.160 6.298) 6.711 9.924 ( -17.041 -9.839 -7.443) 21.038 19.879 ( -0.222 -0.128 0.367) 0.447 19.936 ( 3.349 1.934 -2.239) 4.469 19.937 ( -0.042 -0.024 0.197) 0.203 20.083 ( 2.465 1.423 0.266) 2.859 24.632 ( -0.757 -0.437 2.446) 2.598 25.077 ( -0.563 -0.325 -0.705) 0.959 32.303 ( -0.929 -0.536 -0.264) 1.104 32.372 ( -0.895 -0.517 -1.278) 1.644 42.036 ( -0.332 -0.192 8.678) 8.686 42.122 ( 3.940 2.275 3.782) 5.917 42.234 ( -2.876 -1.660 -9.055) 9.645 45.536 ( 14.103 8.142 -29.401) 33.610======================= Grid point 141 (41/146) =======================q-point: ( 0.45 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.807 ( 5.166 2.983 15.776) 16.866 2.247 ( 5.906 3.410 3.557) 7.692 2.758 ( -0.224 -0.129 2.333) 2.347 3.094 ( -7.027 -4.057 0.639) 8.139 3.130 ( 17.282 9.978 4.514) 20.459 3.626 ( -2.426 -1.400 -2.008) 3.446 3.693 ( 12.040 6.952 6.428) 15.317 4.296 ( 11.931 6.888 -6.990) 15.448 4.529 ( -4.398 -2.539 -2.622) 5.716 4.716 ( -0.060 -0.035 3.757) 3.758 4.719 ( 1.720 0.993 1.454) 2.461 4.934 ( 4.549 2.626 -4.661) 7.022 5.237 ( 6.417 3.705 -1.932) 7.657 5.359 ( 4.604 2.658 -2.396) 5.831 5.750 ( 10.511 6.068 -3.687) 12.685 5.775 ( -15.525 -8.963 9.551) 20.312 6.730 ( -2.091 -1.207 2.926) 3.793 7.494 ( 18.323 10.579 -6.447) 22.117 8.035 ( -0.970 -0.560 -0.582) 1.263 8.574 ( -2.264 -1.307 2.715) 3.769 9.470 ( -19.707 -11.378 -4.463) 23.189 19.879 ( 0.132 0.076 0.013) 0.153 19.932 ( -0.437 -0.252 0.412) 0.651 20.005 ( 3.454 1.994 -1.707) 4.339 20.129 ( 1.381 0.797 0.218) 1.610 24.629 ( -0.469 -0.271 1.535) 1.627 25.063 ( -0.295 -0.170 -0.534) 0.633 32.286 ( -0.517 -0.298 -0.202) 0.630 32.349 ( -0.555 -0.321 -0.918) 1.120 42.085 ( 0.631 0.364 8.163) 8.195 42.119 ( -3.017 -1.742 -8.331) 9.030 42.220 ( 2.348 1.356 5.916) 6.507 45.661 ( 8.387 4.842 -18.485) 20.868======================= Grid point 142 (42/146) =======================q-point: ( 0.55 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( -0.936 -0.541 12.257) 12.305 2.347 ( 1.560 0.901 3.076) 3.564 2.798 ( 1.531 0.884 1.176) 2.124 2.903 ( -6.399 -3.695 -4.176) 8.488 3.437 ( 7.523 4.344 0.196) 8.689 3.556 ( -2.902 -1.676 -0.259) 3.361 3.927 ( 3.832 2.212 1.391) 4.638 4.413 ( -2.684 -1.550 -6.604) 7.295 4.457 ( 7.425 4.287 3.061) 9.104 4.718 ( -1.563 -0.902 4.732) 5.064 4.772 ( 1.183 0.683 5.108) 5.287 4.986 ( 0.514 0.297 -2.292) 2.368 5.355 ( 3.808 2.198 0.712) 4.454 5.430 ( 2.464 1.423 -0.907) 2.986 5.504 ( -8.473 -4.892 1.804) 9.949 5.958 ( 5.995 3.461 -1.728) 7.135 6.683 ( -2.403 -1.387 -1.513) 3.160 7.925 ( 20.909 12.072 -4.161) 24.500 8.024 ( 0.004 0.003 1.302) 1.302 8.459 ( -10.077 -5.818 0.684) 11.656 9.076 ( -10.599 -6.119 -3.811) 12.818 19.879 ( -0.134 -0.077 -0.788) 0.803 19.927 ( -0.151 -0.087 0.927) 0.943 20.066 ( 2.292 1.323 -0.680) 2.733 20.145 ( 0.010 0.006 0.026) 0.028 24.625 ( -0.473 -0.273 0.830) 0.994 25.059 ( 0.062 0.036 -0.210) 0.222 32.278 ( -0.116 -0.067 -0.037) 0.138 32.340 ( 0.040 0.023 -0.433) 0.435 41.996 ( -3.058 -1.765 -9.282) 9.931 42.171 ( 2.255 1.302 9.373) 9.727 42.281 ( 0.030 0.017 7.318) 7.318 45.743 ( 5.943 3.431 -11.818) 13.666======================= Grid point 143 (43/146) =======================q-point: (-0.36 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( -8.938 -5.160 9.268) 13.871 2.344 ( -3.252 -1.878 2.804) 4.687 2.695 ( -3.830 -2.211 -6.359) 7.746 2.943 ( 5.613 3.241 0.405) 6.494 3.345 ( -10.869 -6.275 -3.842) 13.125 3.593 ( 2.546 1.470 0.271) 2.952 3.845 ( -9.255 -5.343 -2.507) 10.977 4.375 ( 2.241 1.294 -6.805) 7.280 4.647 ( 2.130 1.230 12.203) 12.448 4.693 ( -2.618 -1.512 3.852) 4.896 4.817 ( 0.183 0.105 6.211) 6.214 5.012 ( 4.676 2.700 -0.386) 5.414 5.382 ( -1.997 -1.153 0.551) 2.371 5.413 ( 0.376 0.217 -3.765) 3.790 5.474 ( 0.908 0.524 3.486) 3.640 5.970 ( -3.746 -2.163 -1.125) 4.469 6.613 ( -1.931 -1.115 -5.727) 6.146 8.010 ( -17.347 -10.016 0.739) 20.045 8.051 ( 1.368 0.790 2.753) 3.173 8.414 ( 10.154 5.863 -1.937) 11.884 9.041 ( 10.471 6.046 -5.937) 13.470 19.865 ( -0.549 -0.317 -1.244) 1.396 19.936 ( 0.357 0.206 1.050) 1.128 20.088 ( -0.628 -0.363 0.663) 0.983 20.137 ( -0.304 -0.176 -0.474) 0.590 24.616 ( -0.545 -0.315 0.327) 0.709 25.064 ( 0.373 0.215 0.069) 0.436 32.280 ( 0.239 0.138 0.062) 0.283 32.347 ( 0.688 0.397 -0.039) 0.795 41.892 ( -2.011 -1.161 -8.578) 8.887 42.279 ( 3.046 1.759 8.889) 9.560 42.294 ( -2.300 -1.328 8.082) 8.507 45.816 ( 4.971 2.870 -7.639) 9.555======================= Grid point 144 (44/146) =======================q-point: (-0.27 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( -16.136 -9.316 4.924) 19.271 2.224 ( -8.729 -5.040 2.158) 10.308 2.646 ( 1.460 0.843 -4.545) 4.847 2.992 ( -17.851 -10.306 -4.430) 21.083 3.061 ( 3.125 1.804 1.038) 3.754 3.561 ( -13.075 -7.549 -2.586) 15.317 3.641 ( 2.251 1.300 -0.313) 2.618 4.420 ( 3.890 2.246 -5.213) 6.881 4.561 ( -14.251 -8.228 8.347) 18.452 4.695 ( 0.615 0.355 2.313) 2.420 4.842 ( -0.519 -0.300 5.439) 5.472 5.044 ( -4.452 -2.570 1.390) 5.325 5.279 ( -6.898 -3.982 -0.515) 7.981 5.487 ( -2.118 -1.223 5.884) 6.372 5.491 ( 5.623 3.246 -7.244) 9.728 5.903 ( 2.034 1.174 6.830) 7.223 6.555 ( -0.013 -0.007 -7.378) 7.378 7.604 ( -16.449 -9.497 -0.459) 18.999 8.104 ( 1.706 0.985 3.237) 3.789 8.504 ( -0.134 -0.078 -1.041) 1.053 9.432 ( 23.606 13.629 -6.847) 28.105 19.848 ( -0.261 -0.151 -1.406) 1.438 19.949 ( 0.250 0.144 0.945) 0.988 20.049 ( -2.704 -1.561 0.741) 3.209 20.124 ( -1.090 -0.630 0.026) 1.259 24.604 ( -0.576 -0.333 0.101) 0.673 25.075 ( 0.571 0.330 0.154) 0.677 32.289 ( 0.578 0.334 0.022) 0.668 32.368 ( 1.140 0.658 0.094) 1.320 41.825 ( -0.273 -0.158 -7.560) 7.566 42.261 ( -4.299 -2.482 8.316) 9.685 42.389 ( 2.818 1.627 7.977) 8.615 45.891 ( 4.658 2.689 -5.618) 7.777======================= Grid point 145 (45/146) =======================q-point: (-0.18 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.239 ( -19.025 -10.984 3.953) 22.321 1.954 ( -16.944 -9.783 1.448) 19.619 2.552 ( -17.889 -10.328 -3.633) 20.973 2.665 ( -0.497 -0.287 -2.830) 2.887 2.951 ( -14.380 -8.302 1.171) 16.645 3.387 ( 0.570 0.329 -2.537) 2.621 3.700 ( 2.973 1.716 0.695) 3.502 4.025 ( -35.449 -20.466 8.424) 41.791 4.484 ( 3.523 2.034 -3.149) 5.144 4.748 ( 3.417 1.973 0.564) 3.986 4.846 ( -1.415 -0.817 3.985) 4.307 4.951 ( -2.254 -1.302 -2.276) 3.458 5.088 ( -8.704 -5.025 -2.765) 10.424 5.438 ( -4.663 -2.692 5.416) 7.637 5.476 ( -1.649 -0.952 -5.636) 5.949 6.174 ( 13.077 7.550 12.221) 19.426 6.541 ( 1.651 0.953 -5.951) 6.249 7.289 ( -11.130 -6.426 -2.301) 13.056 8.150 ( 0.935 0.540 2.886) 3.081 8.476 ( -1.144 -0.660 0.378) 1.374 9.926 ( 22.454 12.964 -7.847) 27.089 19.841 ( 0.354 0.204 -1.477) 1.533 19.955 ( -0.144 -0.083 0.895) 0.911 19.988 ( -2.847 -1.644 0.542) 3.332 20.084 ( -2.542 -1.468 0.364) 2.958 24.592 ( -0.531 -0.306 0.263) 0.667 25.089 ( 0.637 0.368 0.048) 0.737 32.306 ( 0.874 0.505 -0.118) 1.016 32.396 ( 1.241 0.716 -0.077) 1.435 41.805 ( 1.583 0.914 -6.250) 6.512 42.188 ( -5.642 -3.257 7.780) 10.148 42.478 ( 1.664 0.960 6.629) 6.902 45.963 ( 4.380 2.529 -7.387) 8.952======================= Grid point 146 (46/146) =======================q-point: (-0.09 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( -18.881 -10.901 9.535) 23.796 1.451 ( -27.725 -16.007 0.651) 32.021 2.214 ( -11.092 -6.404 -0.116) 12.808 2.303 ( -31.171 -17.996 -0.622) 35.998 2.693 ( -15.239 -8.798 0.587) 17.606 3.220 ( -19.788 -11.425 1.202) 22.881 3.515 ( 0.150 0.087 8.373) 8.375 3.780 ( 3.610 2.084 1.024) 4.292 4.541 ( 2.402 1.387 -1.591) 3.197 4.792 ( -5.911 -3.413 2.668) 7.328 4.839 ( 3.431 1.981 -0.391) 3.980 4.909 ( 0.034 0.020 -3.378) 3.378 4.919 ( -2.795 -1.614 -4.995) 5.947 5.338 ( -6.069 -3.504 3.582) 7.871 5.415 ( -1.406 -0.812 -3.909) 4.233 6.487 ( 8.333 4.811 11.183) 14.752 6.563 ( 2.216 1.279 -2.846) 3.827 7.070 ( -7.034 -4.061 -4.547) 9.308 8.172 ( -0.080 -0.046 1.929) 1.931 8.483 ( 0.813 0.469 4.236) 4.339 10.331 ( 17.190 9.925 -10.668) 22.535 19.849 ( 0.916 0.529 -1.443) 1.789 19.934 ( -1.977 -1.141 0.413) 2.320 19.951 ( -0.551 -0.318 0.917) 1.116 20.018 ( -3.285 -1.896 0.121) 3.795 24.586 ( -0.270 -0.156 1.401) 1.435 25.103 ( 0.561 0.324 -0.144) 0.663 32.326 ( 0.984 0.568 -0.186) 1.152 32.420 ( 0.996 0.575 -0.472) 1.243 41.829 ( 2.878 1.661 -4.545) 5.630 42.092 ( -5.822 -3.361 6.157) 9.116 42.527 ( 0.044 0.025 4.761) 4.761 45.978 ( 1.621 0.936 -22.575) 22.652======================= Grid point 149 (47/146) =======================q-point: ( 0.18 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( 0.000 29.913 11.259) 31.962 0.959 ( -0.000 12.762 26.546) 29.454 1.578 ( 0.000 46.338 21.995) 51.293 2.100 ( -0.000 6.537 5.628) 8.626 2.232 ( 0.000 22.899 2.333) 23.018 3.093 ( -0.000 -0.972 0.290) 1.014 3.886 ( -0.000 -3.160 2.013) 3.746 4.082 ( -0.000 -27.225 17.392) 32.306 4.523 ( 0.000 -1.725 -4.894) 5.190 4.604 ( 0.000 5.610 -4.533) 7.213 4.697 ( 0.000 4.440 -7.048) 8.331 4.881 ( -0.000 -0.254 0.336) 0.422 4.989 ( -0.000 -6.997 -0.920) 7.057 5.201 ( 0.000 7.057 -2.281) 7.417 5.262 ( 0.000 5.081 -9.678) 10.931 6.654 ( -0.000 -3.957 4.951) 6.339 6.773 ( -0.000 -2.909 4.964) 5.754 6.802 ( 0.000 3.372 -2.593) 4.254 8.168 ( 0.000 1.676 -0.595) 1.778 8.544 ( 0.000 16.455 -0.478) 16.462 10.291 ( 0.000 -9.303 -12.188) 15.333 19.848 ( 0.000 -1.396 -1.047) 1.745 19.899 ( 0.000 1.096 -0.962) 1.458 19.948 ( 0.000 2.549 0.640) 2.628 19.955 ( -0.000 0.841 0.880) 1.217 24.727 ( -0.000 -6.958 5.673) 8.977 25.107 ( 0.000 -0.594 -0.386) 0.708 32.356 ( -0.000 -2.058 0.653) 2.159 32.421 ( 0.000 -1.111 -0.851) 1.399 41.857 ( -0.000 -5.011 -0.876) 5.087 42.070 ( -0.000 8.070 5.576) 9.809 42.550 ( 0.000 3.192 0.601) 3.248 43.997 ( 0.000 87.498 -75.132) 115.329======================= Grid point 150 (48/146) =======================q-point: ( 0.27 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( 5.837 9.538 25.508) 27.852 1.479 ( 21.980 25.124 10.531) 35.003 2.133 ( 7.262 16.972 8.763) 20.434 2.422 ( 19.468 26.133 6.922) 33.314 2.575 ( 11.496 21.275 4.991) 24.691 3.105 ( -0.306 9.657 0.362) 9.669 3.804 ( -7.648 -8.991 5.833) 13.166 3.876 ( -6.156 -4.456 5.867) 9.601 4.516 ( 4.990 -3.299 -7.666) 9.724 4.631 ( -1.984 7.186 -1.151) 7.543 4.722 ( 0.219 7.109 -3.742) 8.037 4.923 ( 3.161 -5.006 -4.255) 7.291 4.952 ( 4.571 -4.594 2.831) 7.072 5.143 ( -4.161 6.848 -6.954) 10.609 5.375 ( 5.931 2.553 -4.308) 7.763 6.514 ( -10.262 -4.851 3.425) 11.857 6.813 ( 1.972 0.896 4.705) 5.179 6.860 ( 2.882 4.579 -2.524) 5.970 8.138 ( -3.693 2.744 -1.492) 4.837 8.673 ( -0.851 2.537 7.968) 8.405 10.141 ( 3.244 -16.749 -14.798) 22.584 19.842 ( 1.365 -0.756 -1.190) 1.963 19.902 ( -0.392 1.276 -0.977) 1.655 19.966 ( -1.454 3.256 0.472) 3.597 19.989 ( 2.307 0.748 0.746) 2.537 24.681 ( -1.848 -2.844 4.363) 5.526 25.095 ( -0.384 -0.599 -0.621) 0.944 32.333 ( -0.615 -1.731 0.060) 1.838 32.399 ( -0.626 -0.941 -1.162) 1.621 41.855 ( 5.807 -6.025 -0.305) 8.374 42.170 ( -3.288 9.856 8.927) 13.698 42.472 ( -9.577 7.139 -3.245) 12.378 44.666 ( 32.581 35.110 -58.027) 75.241======================= Grid point 151 (49/146) =======================q-point: ( 0.36 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( 7.203 7.033 21.895) 24.098 2.059 ( 10.038 21.155 10.811) 25.791 2.439 ( 14.888 9.103 2.212) 17.590 2.783 ( 4.886 1.561 5.750) 7.705 3.037 ( 11.450 15.720 7.118) 20.709 3.466 ( 17.680 14.016 0.870) 22.579 3.660 ( -1.460 12.482 0.518) 12.578 3.793 ( -6.169 3.243 -0.060) 6.969 4.522 ( 4.220 -5.984 -5.995) 9.464 4.674 ( -1.117 6.953 2.166) 7.368 4.766 ( -1.249 4.558 -1.814) 5.062 4.919 ( 0.446 -1.500 -2.521) 2.967 4.979 ( 6.409 -3.740 -0.528) 7.439 5.183 ( 4.185 6.601 -6.749) 10.326 5.465 ( 4.920 2.534 -3.253) 6.419 6.289 ( -13.016 -7.484 7.226) 16.663 6.832 ( -3.419 1.276 6.625) 7.564 7.009 ( 10.877 6.578 -8.076) 15.060 8.100 ( -3.002 2.541 -1.324) 4.150 8.665 ( -3.897 -1.947 8.061) 9.163 9.894 ( -3.193 -20.308 -12.222) 23.917 19.862 ( 1.827 -0.587 -0.751) 2.061 19.910 ( 0.626 2.194 -1.606) 2.790 19.970 ( -1.754 2.771 0.563) 3.327 20.046 ( 3.041 0.520 0.516) 3.128 24.656 ( -1.191 -1.038 2.999) 3.389 25.078 ( -0.484 -0.483 -0.754) 1.018 32.306 ( -0.620 -1.252 -0.337) 1.437 32.372 ( -0.745 -0.864 -1.210) 1.663 41.918 ( 8.173 -6.369 1.077) 10.418 42.222 ( -6.342 7.559 8.132) 12.786 42.394 ( -8.042 11.455 -2.291) 14.183 45.105 ( 24.163 9.857 -38.936) 46.873======================= Grid point 152 (50/146) =======================q-point: ( 0.45 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( 5.300 4.316 17.564) 18.847 2.342 ( -1.118 17.222 7.271) 18.728 2.678 ( 6.447 -4.738 2.081) 8.267 3.030 ( 14.308 13.550 6.613) 20.786 3.171 ( -5.478 -2.645 1.624) 6.297 3.621 ( 1.073 6.553 1.144) 6.738 3.780 ( -0.024 13.804 2.242) 13.985 4.107 ( 15.553 14.140 -6.669) 22.052 4.483 ( 1.978 -5.168 -3.546) 6.573 4.738 ( -1.945 2.677 0.366) 3.330 4.754 ( -0.156 1.713 3.352) 3.767 4.903 ( 0.146 4.166 -3.298) 5.315 5.137 ( 12.174 1.405 0.052) 12.255 5.291 ( 3.786 6.139 -4.429) 8.464 5.583 ( 9.119 1.483 -4.124) 10.117 5.995 ( -15.912 -10.886 10.659) 22.029 6.804 ( -4.100 1.075 2.775) 5.066 7.271 ( 15.651 10.010 -7.856) 20.171 8.071 ( -2.659 1.885 -0.018) 3.259 8.616 ( -2.986 -2.038 4.025) 5.410 9.525 ( -9.529 -21.644 -8.092) 24.995 19.873 ( 0.545 -0.278 -0.330) 0.695 19.948 ( 0.950 1.667 -0.732) 2.053 19.974 ( 0.186 2.623 -0.457) 2.669 20.100 ( 2.587 0.089 0.357) 2.613 24.646 ( -0.818 -0.456 2.002) 2.210 25.064 ( -0.317 -0.251 -0.654) 0.769 32.286 ( -0.350 -0.825 -0.307) 0.947 32.348 ( -0.503 -0.708 -1.004) 1.328 42.000 ( 6.983 -5.241 0.113) 8.731 42.197 ( -6.240 7.377 1.339) 9.755 42.393 ( -7.746 10.955 7.632) 15.436 45.334 ( 18.233 -0.532 -26.183) 31.910======================= Grid point 153 (51/146) =======================q-point: ( 0.55 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.000 ( 0.898 1.144 14.281) 14.355 2.476 ( -4.643 13.731 5.919) 15.657 2.729 ( 4.660 -3.669 2.211) 6.330 2.979 ( -9.648 -4.591 -4.442) 11.571 3.408 ( 9.943 10.822 5.009) 15.526 3.610 ( -5.109 5.549 -3.539) 8.332 4.014 ( 0.248 16.310 2.172) 16.456 4.271 ( 6.741 -4.301 -0.559) 8.016 4.490 ( 0.604 5.481 -4.659) 7.219 4.708 ( 0.012 -3.083 2.447) 3.936 4.799 ( 1.458 0.157 3.453) 3.751 4.971 ( 1.211 4.775 -0.583) 4.960 5.337 ( 7.207 -1.440 0.022) 7.349 5.386 ( 1.112 10.596 -0.289) 10.658 5.615 ( -7.419 -8.682 0.910) 11.457 5.820 ( 7.032 -1.950 1.735) 7.501 6.741 ( -4.949 0.719 -1.227) 5.150 7.656 ( 20.939 12.235 -6.033) 24.991 8.053 ( -1.510 1.576 1.667) 2.746 8.541 ( -5.535 -4.453 0.944) 7.166 9.112 ( -9.867 -18.519 -5.485) 21.689 19.875 ( 0.113 -0.120 -0.665) 0.686 19.950 ( -1.221 1.156 0.876) 1.896 20.030 ( 2.896 1.916 -1.088) 3.639 20.133 ( 1.248 -0.489 0.128) 1.346 24.637 ( -0.737 -0.305 1.233) 1.468 25.057 ( 0.001 -0.002 -0.364) 0.364 32.275 ( -0.007 -0.544 -0.096) 0.553 32.334 ( 0.043 -0.438 -0.630) 0.768 42.005 ( -1.465 0.262 -6.813) 6.974 42.232 ( 0.335 6.752 5.287) 8.583 42.398 ( -7.315 5.619 12.033) 15.161 45.474 ( 15.368 -4.988 -18.000) 24.188======================= Grid point 154 (52/146) =======================q-point: (-0.36 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( -5.862 -2.332 13.070) 14.513 2.508 ( -8.467 9.526 5.022) 13.699 2.696 ( -4.816 -5.705 -5.758) 9.428 2.865 ( 4.178 0.717 -0.975) 4.350 3.493 ( -8.193 -4.164 -0.489) 9.203 3.608 ( -1.838 13.270 -1.794) 13.517 4.041 ( -9.677 9.320 -2.660) 13.696 4.318 ( 1.570 0.550 -2.875) 3.322 4.634 ( 7.757 3.451 6.513) 10.700 4.706 ( 1.537 -3.266 5.139) 6.280 4.832 ( 1.302 -2.501 2.831) 3.995 4.985 ( -1.336 1.678 2.425) 3.237 5.330 ( 0.340 -6.417 -1.640) 6.632 5.452 ( -1.863 1.564 -1.282) 2.749 5.542 ( -1.756 8.296 5.028) 9.858 5.912 ( 4.779 -5.548 -2.791) 7.837 6.647 ( -4.636 1.038 -4.988) 6.888 8.035 ( 6.271 1.865 0.423) 6.556 8.116 ( 4.033 4.753 -0.130) 6.235 8.319 ( -4.765 -5.349 -1.151) 7.255 8.884 ( 3.029 -7.764 -5.686) 10.089 19.866 ( -0.437 -0.139 -1.008) 1.108 19.951 ( -0.607 1.287 1.040) 1.763 20.080 ( 1.710 0.509 -0.014) 1.784 20.132 ( -0.201 -1.086 -0.336) 1.155 24.627 ( -0.756 -0.287 0.701) 1.070 25.060 ( 0.313 0.164 -0.083) 0.363 32.274 ( 0.320 -0.384 0.051) 0.503 32.335 ( 0.712 -0.117 -0.279) 0.774 41.928 ( -4.729 3.933 -8.611) 10.582 42.347 ( 1.352 2.517 7.704) 8.217 42.381 ( -5.841 4.476 11.887) 13.980 45.586 ( 13.781 -5.928 -13.020) 19.864======================= Grid point 155 (53/146) =======================q-point: (-0.27 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( -15.786 -6.269 9.672) 19.546 2.423 ( -12.011 5.429 2.837) 13.483 2.592 ( 0.714 -1.456 -4.275) 4.572 2.961 ( 5.011 -2.302 0.204) 5.519 3.221 ( -14.946 -5.477 -2.091) 16.055 3.660 ( -5.076 9.764 -0.705) 11.027 3.859 ( -17.663 6.709 -1.940) 18.994 4.373 ( 3.670 4.666 -3.957) 7.134 4.678 ( -0.205 -3.245 3.041) 4.452 4.712 ( -4.247 -4.116 7.634) 9.657 4.845 ( 0.521 -3.370 3.248) 4.709 5.085 ( 3.486 1.986 3.173) 5.115 5.242 ( -2.363 -9.025 -3.521) 9.971 5.453 ( 2.793 3.754 -2.247) 5.191 5.587 ( -4.593 4.774 5.672) 8.721 5.856 ( 0.608 -7.957 1.605) 8.140 6.578 ( -2.934 4.308 -6.027) 7.968 7.805 ( -18.527 -9.479 -1.670) 20.878 8.102 ( 1.989 1.204 2.710) 3.571 8.490 ( 3.946 3.402 -0.141) 5.211 9.054 ( 24.463 2.443 -7.613) 25.736 19.851 ( -0.623 0.269 -1.094) 1.288 19.962 ( -0.344 1.455 0.920) 1.755 20.080 ( -1.885 -0.896 0.473) 2.140 20.115 ( 0.340 -1.754 -0.377) 1.826 24.614 ( -0.749 -0.283 0.485) 0.936 25.069 ( 0.537 0.223 0.017) 0.582 32.279 ( 0.646 -0.247 0.041) 0.692 32.352 ( 1.259 0.167 -0.161) 1.280 41.851 ( -4.285 5.034 -7.941) 10.333 42.318 ( -3.853 -6.056 12.123) 14.088 42.479 ( -0.739 8.608 6.457) 10.786 45.695 ( 12.196 -4.307 -10.944) 16.943======================= Grid point 156 (54/146) =======================q-point: (-0.18 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( -20.313 -7.452 7.602) 22.934 2.239 ( -17.481 3.428 2.997) 18.064 2.616 ( 3.119 0.095 -1.068) 3.298 2.742 ( -17.154 -11.910 -2.068) 20.986 3.110 ( -2.088 1.841 1.496) 3.160 3.490 ( -17.047 3.143 -2.117) 17.463 3.757 ( -3.790 7.552 1.307) 8.550 4.437 ( -19.457 -8.411 3.985) 21.569 4.478 ( -4.619 3.265 -0.014) 5.656 4.686 ( 3.192 -0.984 0.190) 3.345 4.826 ( 1.003 -4.259 2.439) 5.009 5.013 ( -5.494 -3.197 -3.014) 7.035 5.090 ( -2.762 -9.086 -1.081) 9.558 5.507 ( -3.159 4.387 -5.979) 8.061 5.541 ( -5.639 0.281 3.389) 6.585 5.974 ( 16.830 -4.243 9.880) 19.971 6.573 ( -1.748 6.815 -2.082) 7.337 7.436 ( -14.783 -5.026 -3.854) 16.082 8.153 ( 1.232 0.666 2.167) 2.580 8.507 ( -1.654 0.613 1.186) 2.126 9.535 ( 28.939 5.865 -8.001) 30.593 19.843 ( -0.376 0.988 -1.089) 1.518 19.973 ( -0.695 1.494 0.703) 1.792 20.026 ( -3.010 -1.063 -0.056) 3.192 20.090 ( -0.785 -3.017 0.307) 3.133 24.602 ( -0.650 -0.251 0.672) 0.968 25.081 ( 0.664 0.200 -0.083) 0.698 32.291 ( 0.972 -0.054 -0.093) 0.978 32.377 ( 1.486 0.310 -0.348) 1.557 41.809 ( -2.211 5.249 -6.430) 8.590 42.244 ( -3.584 -8.140 10.979) 14.129 42.557 ( -1.869 5.735 4.773) 7.692 45.796 ( 9.548 -1.222 -12.857) 16.061======================= Grid point 157 (55/146) =======================q-point: (-0.09 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -20.262 -5.822 11.809) 24.164 1.885 ( -28.910 -0.251 3.000) 29.067 2.351 ( -15.488 -7.474 1.091) 17.232 2.643 ( -4.366 1.525 0.294) 4.634 2.900 ( -21.866 1.435 0.391) 21.916 3.392 ( -1.180 1.183 -0.251) 1.690 3.736 ( -30.346 -13.392 6.905) 33.880 3.791 ( -5.566 0.213 3.777) 6.730 4.556 ( 1.317 7.152 -3.689) 8.154 4.765 ( 3.953 -1.731 1.390) 4.533 4.801 ( -0.324 -2.106 -0.678) 2.236 4.902 ( -1.109 -5.546 -2.662) 6.251 4.964 ( -4.864 1.238 -1.991) 5.399 5.403 ( -6.301 -2.083 -3.583) 7.542 5.469 ( -4.588 1.817 -0.784) 4.997 6.276 ( 16.660 -5.407 6.251) 18.598 6.625 ( -0.350 5.580 4.532) 7.197 7.167 ( -10.833 -1.220 -6.111) 12.498 8.173 ( 0.305 -0.930 0.955) 1.368 8.506 ( -0.235 0.299 4.633) 4.649 10.007 ( 24.193 6.855 -9.550) 26.898 19.847 ( 0.009 1.563 -1.056) 1.886 19.957 ( -2.257 -0.779 -0.580) 2.457 19.984 ( -1.682 1.433 0.980) 2.417 20.034 ( -1.935 -3.616 0.152) 4.104 24.597 ( -0.295 -0.165 1.539) 1.576 25.093 ( 0.693 0.118 -0.284) 0.758 32.309 ( 1.216 0.157 -0.198) 1.242 32.401 ( 1.354 0.249 -0.749) 1.568 41.817 ( 0.187 5.492 -4.479) 7.089 42.152 ( -3.927 -8.070 9.031) 12.732 42.570 ( -2.214 0.300 2.123) 3.082 45.830 ( 3.235 1.803 -23.540) 23.830======================= Grid point 161 (56/146) =======================q-point: ( 0.27 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( -0.000 11.900 22.852) 25.765 1.576 ( 0.000 29.389 6.758) 30.156 2.323 ( -0.000 9.213 6.976) 11.556 2.499 ( 0.000 30.591 13.056) 33.260 2.692 ( 0.000 10.054 0.127) 10.055 3.303 ( 0.000 25.113 3.859) 25.408 3.849 ( -0.000 -2.726 2.777) 3.891 3.903 ( -0.000 -2.529 8.944) 9.294 4.400 ( 0.000 -3.392 -8.009) 8.697 4.712 ( 0.000 9.572 -4.730) 10.677 4.767 ( 0.000 -6.431 -4.826) 8.041 4.801 ( 0.000 3.685 -0.112) 3.687 4.918 ( -0.000 2.033 2.927) 3.564 5.207 ( 0.000 -0.353 -9.713) 9.719 5.321 ( 0.000 8.018 -3.810) 8.877 6.612 ( -0.000 -5.494 5.254) 7.602 6.728 ( 0.000 4.920 -8.183) 9.548 6.933 ( -0.000 0.501 9.254) 9.268 8.195 ( 0.000 1.480 -0.520) 1.569 8.751 ( -0.000 0.958 8.969) 9.020 9.830 ( 0.000 -20.447 -16.360) 26.186 19.816 ( 0.000 -0.909 -0.582) 1.079 19.916 ( 0.000 1.862 -1.300) 2.271 19.976 ( -0.000 0.546 0.661) 0.858 20.021 ( 0.000 3.970 0.202) 3.976 24.688 ( -0.000 -2.703 3.736) 4.611 25.088 ( 0.000 -0.723 -0.676) 0.990 32.319 ( -0.000 -1.859 -0.211) 1.871 32.389 ( 0.000 -1.152 -1.007) 1.530 41.748 ( -0.000 -4.967 -0.648) 5.009 42.377 ( -0.000 14.013 12.473) 18.760 42.606 ( 0.000 1.817 0.350) 1.850 44.460 ( 0.000 36.225 -55.488) 66.266======================= Grid point 162 (57/146) =======================q-point: ( 0.36 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 2.175 10.268 19.144) 21.832 2.053 ( 17.767 23.117 7.085) 30.004 2.477 ( 1.404 12.469 5.382) 13.653 2.762 ( 2.864 1.190 6.668) 7.354 2.954 ( 14.101 19.879 4.527) 24.789 3.482 ( -1.947 4.911 4.721) 7.085 3.841 ( -0.002 7.032 1.794) 7.257 3.987 ( -6.836 22.192 2.045) 23.310 4.373 ( 4.582 -2.043 -5.851) 7.707 4.700 ( 6.159 -7.946 -3.858) 10.768 4.786 ( -0.735 7.652 -2.326) 8.032 4.851 ( -1.694 4.440 1.952) 5.138 4.968 ( -0.035 2.847 1.741) 3.337 5.150 ( 1.874 3.466 -10.289) 11.018 5.411 ( 3.220 5.334 -3.830) 7.313 6.467 ( -10.787 -5.382 6.142) 13.530 6.856 ( 8.883 7.140 -6.099) 12.926 6.932 ( -2.889 -2.488 5.895) 7.021 8.177 ( -2.886 2.032 -0.531) 3.569 8.750 ( -3.545 -4.187 9.558) 11.021 9.584 ( 3.648 -22.507 -15.486) 27.563 19.821 ( 1.590 -0.409 -0.458) 1.704 19.925 ( -0.346 2.403 -1.445) 2.825 20.002 ( 1.811 0.334 0.292) 1.864 20.043 ( -1.572 3.527 0.435) 3.886 24.676 ( -0.753 -1.482 2.903) 3.345 25.075 ( -0.260 -0.601 -0.758) 1.002 32.298 ( -0.272 -1.357 -0.453) 1.456 32.368 ( -0.508 -1.089 -0.964) 1.541 41.747 ( 5.328 -4.676 0.139) 7.091 42.487 ( -9.056 8.634 6.619) 14.155 42.618 ( -2.986 10.980 6.953) 13.335 44.647 ( 17.068 16.573 -44.012) 50.031======================= Grid point 163 (58/146) =======================q-point: ( 0.45 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.903 ( 3.206 7.122 15.058) 16.964 2.530 ( 10.365 6.484 7.200) 14.189 2.624 ( -1.586 16.593 4.933) 17.383 2.927 ( 10.488 4.844 7.282) 13.656 3.230 ( 0.549 0.655 2.315) 2.468 3.607 ( 10.807 9.706 2.558) 14.749 3.916 ( -1.446 9.904 0.379) 10.016 4.094 ( 0.391 13.617 -8.468) 16.040 4.446 ( -0.423 9.164 -1.775) 9.344 4.747 ( 3.709 -4.878 -0.125) 6.129 4.814 ( 1.839 1.548 0.150) 2.409 4.872 ( 2.744 1.651 1.573) 3.568 5.002 ( -0.218 6.683 0.366) 6.696 5.260 ( 7.243 8.768 -7.311) 13.520 5.486 ( 2.719 3.558 -3.145) 5.472 6.211 ( -15.495 -10.667 10.785) 21.684 6.873 ( -2.434 -3.099 2.080) 4.455 7.094 ( 12.481 11.929 -8.236) 19.128 8.147 ( -3.129 2.069 0.597) 3.798 8.676 ( -4.281 -3.989 5.583) 8.087 9.318 ( -0.404 -25.071 -10.609) 27.226 19.848 ( 1.768 -0.337 -0.251) 1.817 19.945 ( 0.624 3.048 -1.577) 3.488 20.021 ( -1.043 1.301 0.060) 1.669 20.064 ( 1.332 1.184 0.663) 1.901 24.665 ( -0.824 -0.732 2.070) 2.345 25.062 ( -0.249 -0.323 -0.690) 0.802 32.281 ( -0.265 -0.837 -0.374) 0.954 32.344 ( -0.558 -0.905 -0.865) 1.370 41.826 ( 8.115 -3.911 0.963) 9.060 42.418 ( -8.635 9.341 -2.002) 12.878 42.711 ( -8.333 12.948 14.996) 21.493 44.849 ( 19.199 0.855 -31.955) 37.289======================= Grid point 164 (59/146) =======================q-point: ( 0.55 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.065 ( 1.680 3.461 11.644) 12.263 2.638 ( 2.790 -2.726 5.221) 6.517 2.760 ( -5.707 14.711 6.086) 16.912 3.060 ( -4.156 -3.819 -3.523) 6.653 3.355 ( 9.376 9.917 10.626) 17.297 3.769 ( -1.817 13.156 -6.405) 14.744 4.121 ( 0.390 2.012 -5.198) 5.587 4.145 ( 9.335 9.694 2.794) 13.745 4.504 ( 1.743 6.732 -4.536) 8.303 4.734 ( -2.685 -1.705 1.693) 3.603 4.804 ( -3.670 4.868 0.075) 6.097 5.010 ( 4.931 3.021 2.478) 6.291 5.150 ( 11.181 1.792 1.008) 11.369 5.450 ( 8.049 9.887 -3.848) 13.317 5.523 ( 0.190 -0.480 -2.402) 2.457 5.886 ( -13.935 -10.651 9.685) 20.035 6.806 ( -2.983 -2.222 -1.728) 4.102 7.428 ( 16.479 13.909 -6.883) 22.636 8.116 ( -2.893 1.033 2.095) 3.718 8.588 ( -4.513 -3.879 1.604) 6.163 8.988 ( -4.106 -24.007 -6.245) 25.144 19.864 ( 0.713 -0.384 -0.280) 0.857 19.981 ( 0.272 2.074 -0.517) 2.155 20.017 ( -0.078 2.056 -0.259) 2.074 20.101 ( 1.845 -0.167 0.273) 1.873 24.654 ( -0.829 -0.433 1.325) 1.622 25.055 ( -0.034 -0.040 -0.445) 0.448 32.270 ( -0.099 -0.557 -0.124) 0.579 32.326 ( -0.176 -0.657 -0.634) 0.930 41.931 ( 6.570 -1.806 -0.312) 6.820 42.381 ( -5.865 11.354 -2.896) 13.103 42.726 ( -12.333 9.746 16.653) 22.900 44.999 ( 19.343 -7.692 -22.311) 30.513======================= Grid point 165 (60/146) =======================q-point: ( 0.64 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.142 ( -1.573 0.328 10.651) 10.772 2.643 ( -0.828 -5.122 2.648) 5.826 2.833 ( -2.545 11.378 1.706) 11.784 2.863 ( -11.302 -0.553 -2.696) 11.633 3.531 ( -2.942 -1.163 4.559) 5.549 3.857 ( -4.057 19.936 -3.920) 20.719 4.120 ( 5.624 1.642 -1.766) 6.119 4.389 ( 2.575 8.452 1.470) 8.957 4.573 ( 2.165 5.159 -1.889) 5.905 4.639 ( -1.846 -3.844 -3.289) 5.385 4.829 ( -1.267 1.767 5.557) 5.968 5.074 ( -2.638 0.998 5.158) 5.879 5.261 ( 0.911 -4.203 -0.338) 4.314 5.452 ( -0.230 -3.856 -1.785) 4.256 5.688 ( 11.672 -4.414 -2.975) 12.829 5.744 ( -5.017 12.005 6.792) 14.678 6.703 ( -4.219 -2.486 -4.509) 6.657 7.828 ( 18.773 10.327 -4.874) 21.973 8.115 ( 0.979 2.024 2.929) 3.692 8.398 ( -11.081 -10.478 -0.804) 15.272 8.733 ( 0.214 -12.830 -3.925) 13.419 19.864 ( 0.030 -0.315 -0.537) 0.624 19.983 ( -0.899 1.162 0.721) 1.636 20.056 ( 1.662 1.646 -0.504) 2.392 20.118 ( 0.630 -0.843 -0.105) 1.058 24.641 ( -0.847 -0.339 0.781) 1.201 25.056 ( 0.225 0.122 -0.183) 0.315 32.265 ( 0.147 -0.472 0.052) 0.497 32.321 ( 0.463 -0.383 -0.362) 0.702 41.982 ( 0.164 2.985 -4.907) 5.746 42.408 ( -1.973 5.930 2.776) 6.839 42.671 ( -12.481 7.768 14.185) 20.428 45.143 ( 19.501 -9.724 -15.493) 26.737======================= Grid point 166 (61/146) =======================q-point: (-0.27 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( -10.426 -3.788 9.894) 14.864 2.539 ( -2.236 -2.564 -7.762) 8.475 2.720 ( -9.240 3.548 7.588) 12.472 2.909 ( 0.225 6.523 -1.062) 6.613 3.341 ( -11.045 -9.991 1.377) 14.957 3.938 ( -7.629 18.300 -0.563) 19.834 4.229 ( -10.259 11.926 -2.652) 15.954 4.351 ( -2.713 3.309 -0.893) 4.371 4.624 ( 5.672 -5.809 -0.465) 8.132 4.724 ( 8.209 0.037 0.698) 8.238 4.775 ( -4.940 -3.213 3.475) 6.841 5.068 ( -0.235 0.707 5.900) 5.947 5.225 ( -0.655 -2.491 -0.834) 2.707 5.397 ( 0.020 -6.154 -2.007) 6.474 5.685 ( 1.712 -4.466 -2.051) 5.204 5.861 ( -5.800 6.664 6.148) 10.763 6.623 ( -0.593 2.083 -4.794) 5.260 8.009 ( -16.234 -7.856 -2.516) 18.209 8.066 ( 5.023 0.383 0.803) 5.101 8.395 ( 16.062 8.792 0.605) 18.321 8.681 ( 8.988 -7.287 -4.794) 12.525 19.857 ( -0.253 0.052 -0.604) 0.657 19.991 ( -0.314 1.605 0.791) 1.816 20.083 ( 0.751 -0.588 -0.023) 0.954 20.104 ( -1.098 -0.921 -0.414) 1.492 24.627 ( -0.816 -0.302 0.545) 1.027 25.062 ( 0.428 0.143 -0.077) 0.457 32.266 ( 0.455 -0.403 0.069) 0.612 32.330 ( 1.099 -0.109 -0.241) 1.131 41.957 ( -4.558 7.072 -7.868) 11.519 42.398 ( -4.624 -5.879 12.308) 14.402 42.645 ( -5.860 8.771 5.701) 11.991 45.317 ( 18.443 -6.097 -11.817) 22.736======================= Grid point 167 (62/146) =======================q-point: (-0.18 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( -18.309 -5.614 6.366) 20.180 2.493 ( -1.939 2.013 -4.034) 4.908 2.649 ( -7.813 3.069 8.657) 12.059 2.871 ( -11.124 -3.214 -0.238) 11.581 3.123 ( -1.678 -3.675 1.898) 4.464 3.913 ( -17.218 10.990 -0.247) 20.427 3.981 ( -17.126 6.010 -0.517) 18.157 4.407 ( 4.710 -0.778 -3.318) 5.814 4.679 ( -0.052 4.898 -0.327) 4.909 4.724 ( -2.107 -0.252 2.954) 3.637 4.780 ( -0.457 -3.983 2.396) 4.670 4.959 ( -8.353 -13.189 -2.620) 15.831 5.127 ( -4.822 -0.781 -0.322) 4.896 5.490 ( 11.209 1.784 0.052) 11.351 5.647 ( -3.385 -0.751 -0.291) 3.480 5.779 ( -2.242 -4.857 3.416) 6.347 6.656 ( -0.326 5.513 0.636) 5.559 7.648 ( -17.099 -2.864 -3.914) 17.773 8.133 ( 2.607 -0.371 0.840) 2.764 8.544 ( -0.866 1.055 1.057) 1.726 9.026 ( 31.296 2.987 -4.825) 31.806 19.853 ( -0.203 0.677 -0.477) 0.852 20.008 ( -0.421 2.277 0.520) 2.374 20.057 ( -1.568 -1.981 -1.158) 2.779 20.074 ( -1.287 -1.433 0.743) 2.064 24.615 ( -0.689 -0.262 0.677) 1.000 25.071 ( 0.565 0.074 -0.167) 0.594 32.274 ( 0.809 -0.204 -0.027) 0.835 32.351 ( 1.476 0.068 -0.395) 1.529 41.906 ( -5.144 7.942 -7.267) 11.931 42.293 ( -5.365 -9.790 13.487) 17.508 42.657 ( -2.768 2.778 1.610) 4.239 45.516 ( 14.811 0.455 -11.898) 19.004======================= Grid point 168 (63/146) =======================q-point: (-0.09 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( -18.790 -3.118 9.409) 21.244 2.332 ( -19.554 -1.970 3.046) 19.887 2.565 ( -9.945 -0.907 0.607) 10.005 2.679 ( -4.687 4.773 5.935) 8.943 3.147 ( -0.429 -0.487 2.345) 2.433 3.576 ( -21.142 4.221 -0.215) 21.561 3.859 ( -6.055 -1.235 2.061) 6.514 4.263 ( -31.322 -7.729 -0.502) 32.265 4.516 ( 4.378 1.460 -3.687) 5.907 4.741 ( 0.039 -0.360 1.336) 1.384 4.798 ( 0.115 -6.066 -1.208) 6.186 4.855 ( 1.249 9.442 0.909) 9.568 5.033 ( -4.498 -1.240 -2.014) 5.082 5.498 ( -9.103 -1.514 -5.368) 10.675 5.558 ( -3.788 2.693 -1.778) 4.976 5.934 ( 19.366 -6.870 5.942) 21.390 6.699 ( -0.893 1.971 5.556) 5.963 7.352 ( -14.441 1.724 -5.815) 15.663 8.152 ( 0.864 -1.953 -0.382) 2.169 8.536 ( -0.889 -0.403 3.009) 3.164 9.572 ( 29.732 5.664 -4.947) 30.668 19.858 ( -0.036 1.007 -0.265) 1.042 19.993 ( -2.826 -0.141 -1.533) 3.218 20.022 ( -0.695 -2.615 -0.064) 2.706 20.036 ( -1.887 1.603 1.074) 2.699 24.608 ( -0.378 -0.209 1.250) 1.322 25.080 ( 0.653 -0.035 -0.374) 0.753 32.289 ( 1.132 0.053 -0.140) 1.142 32.374 ( 1.484 0.051 -0.785) 1.680 41.880 ( -2.836 7.299 -4.461) 9.012 42.181 ( -3.971 -9.299 10.719) 14.735 42.601 ( -3.107 -4.557 -1.231) 5.652 45.673 ( 7.492 6.149 -17.419) 19.934======================= Grid point 173 (64/146) =======================q-point: ( 0.36 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( -0.000 10.635 15.323) 18.652 2.141 ( 0.000 22.138 4.042) 22.504 2.584 ( -0.000 10.388 6.809) 12.421 2.738 ( -0.000 -0.722 2.943) 3.030 3.121 ( 0.000 19.602 6.644) 20.697 3.565 ( -0.000 1.366 7.182) 7.311 3.844 ( -0.000 -1.105 3.601) 3.767 4.238 ( 0.000 -5.218 -7.729) 9.325 4.404 ( 0.000 34.453 2.458) 34.540 4.561 ( 0.000 -1.838 -4.893) 5.227 4.859 ( 0.000 9.695 -4.132) 10.539 4.931 ( -0.000 1.811 2.579) 3.151 5.022 ( 0.000 5.849 2.530) 6.373 5.080 ( 0.000 -0.159 -9.051) 9.052 5.429 ( 0.000 7.441 -4.597) 8.747 6.547 ( -0.000 -6.666 5.253) 8.487 6.832 ( 0.000 14.881 -7.810) 16.806 6.924 ( -0.000 -12.382 7.903) 14.689 8.210 ( 0.000 0.568 -0.750) 0.941 8.767 ( -0.000 -8.873 10.054) 13.410 9.269 ( 0.000 -18.321 -15.218) 23.817 19.803 ( -0.000 -0.083 0.010) 0.084 19.948 ( 0.000 3.006 -1.615) 3.412 19.988 ( -0.000 0.094 0.429) 0.439 20.093 ( 0.000 3.030 -0.008) 3.030 24.682 ( -0.000 -1.276 2.401) 2.719 25.068 ( 0.000 -0.543 -0.748) 0.924 32.287 ( 0.000 -0.889 -0.526) 1.032 32.357 ( 0.000 -1.106 -0.781) 1.354 41.662 ( -0.000 -3.579 0.348) 3.596 42.624 ( 0.000 0.151 -0.648) 0.665 42.839 ( -0.000 15.707 19.151) 24.768 44.456 ( 0.000 16.520 -42.341) 45.449======================= Grid point 174 (65/146) =======================q-point: ( 0.45 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( -0.151 8.343 11.141) 13.919 2.458 ( 10.296 11.267 4.806) 16.002 2.723 ( 4.162 7.898 3.346) 9.534 2.900 ( 9.841 7.962 7.206) 14.566 3.195 ( -1.324 -1.351 0.040) 1.892 3.668 ( -0.765 13.438 9.360) 16.394 3.927 ( 6.747 1.146 3.563) 7.715 4.143 ( -1.178 -0.379 -8.377) 8.468 4.534 ( 5.683 -1.349 -4.785) 7.550 4.666 ( -9.274 15.049 -5.673) 18.565 4.855 ( -1.840 9.205 0.249) 9.391 4.988 ( -1.808 5.789 6.011) 8.539 5.089 ( -0.170 5.726 2.102) 6.102 5.152 ( 8.449 7.855 -7.671) 13.854 5.494 ( 1.612 7.397 -4.099) 8.609 6.393 ( -11.895 -11.117 8.394) 18.318 6.813 ( 1.492 -13.551 0.992) 13.669 7.031 ( 6.954 18.143 -5.998) 20.335 8.199 ( -1.201 0.434 -0.124) 1.283 8.706 ( -1.469 -8.087 6.439) 10.441 9.035 ( -0.308 -19.408 -9.707) 21.702 19.818 ( 1.354 0.133 0.147) 1.368 19.967 ( -0.254 3.365 -1.348) 3.634 20.005 ( 1.481 -0.109 0.018) 1.486 20.103 ( -1.524 2.085 0.150) 2.587 24.678 ( -0.459 -0.855 1.743) 1.995 25.059 ( -0.110 -0.306 -0.648) 0.725 32.277 ( -0.195 -0.387 -0.393) 0.585 32.340 ( -0.416 -0.912 -0.656) 1.198 41.681 ( 5.285 -2.834 1.108) 6.099 42.584 ( -3.897 3.375 -2.449) 5.707 43.044 ( -4.845 12.880 19.567) 23.922 44.472 ( 9.006 7.310 -33.422) 35.377======================= Grid point 175 (66/146) =======================q-point: ( 0.55 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.134 ( 0.266 4.535 7.938) 9.146 2.629 ( 1.717 2.045 5.985) 6.554 2.926 ( 1.402 -6.453 -2.213) 6.964 2.998 ( 3.323 8.988 5.653) 11.126 3.392 ( 11.420 11.687 7.168) 17.843 3.809 ( 3.019 11.251 -3.090) 12.052 4.090 ( 4.075 1.941 -1.187) 4.667 4.130 ( 2.371 3.403 -0.259) 4.156 4.528 ( -3.820 1.030 -7.893) 8.829 4.640 ( 9.416 -2.191 -0.715) 9.694 4.917 ( -0.929 5.478 0.286) 5.563 5.029 ( -7.254 11.228 4.200) 14.012 5.167 ( 0.573 7.128 3.615) 8.012 5.336 ( 7.499 4.143 -5.204) 10.024 5.582 ( 0.346 9.165 -3.005) 9.651 6.065 ( -13.831 -13.509 8.468) 21.107 6.743 ( 2.768 -9.310 -2.470) 10.022 7.331 ( 9.730 19.255 -5.298) 22.214 8.174 ( -2.243 -0.721 1.554) 2.822 8.633 ( -3.395 -4.261 2.932) 6.187 8.767 ( -1.911 -22.282 -5.216) 22.964 19.842 ( 1.258 -0.161 0.127) 1.275 19.996 ( 0.202 3.489 -1.200) 3.695 20.024 ( 1.039 -0.368 0.060) 1.104 20.096 ( -0.845 1.066 0.320) 1.397 24.668 ( -0.678 -0.574 1.071) 1.392 25.053 ( -0.030 -0.040 -0.423) 0.426 32.269 ( -0.282 -0.177 -0.143) 0.362 32.322 ( -0.416 -0.631 -0.491) 0.902 41.783 ( 8.264 -1.977 1.611) 8.648 42.558 ( -4.072 8.725 -4.835) 10.774 43.110 ( -10.536 8.222 17.605) 22.102 44.541 ( 12.954 -1.875 -22.335) 25.888======================= Grid point 176 (67/146) =======================q-point: ( 0.64 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.199 ( 0.046 0.845 6.873) 6.925 2.643 ( -2.988 -3.113 2.119) 4.807 2.856 ( 0.364 -0.556 -3.056) 3.127 3.074 ( -4.353 1.860 2.511) 5.359 3.679 ( -1.848 12.101 11.360) 16.700 3.990 ( 3.190 -1.624 -3.944) 5.326 4.011 ( 3.018 11.811 -6.071) 13.618 4.282 ( 8.723 0.438 -5.300) 10.217 4.543 ( 3.689 1.430 1.535) 4.244 4.730 ( -0.259 0.881 0.883) 1.274 5.008 ( -8.301 10.836 1.266) 13.709 5.036 ( 9.126 1.601 2.275) 9.540 5.239 ( -0.327 1.635 0.932) 1.910 5.387 ( -0.130 -3.367 -0.874) 3.481 5.517 ( -3.255 -10.203 -2.074) 10.909 5.985 ( -0.832 16.459 5.475) 17.366 6.656 ( -0.314 -10.719 -4.125) 11.490 7.659 ( 11.670 15.049 -4.308) 19.525 8.132 ( -1.281 -2.446 3.128) 4.173 8.446 ( -7.808 -12.894 -1.723) 15.172 8.604 ( 0.677 -7.340 -0.768) 7.411 19.854 ( 0.481 -0.332 -0.051) 0.586 20.005 ( -0.718 0.585 -0.160) 0.939 20.054 ( 1.212 2.048 -0.202) 2.389 20.101 ( 0.464 -0.130 0.073) 0.487 24.655 ( -0.777 -0.441 0.546) 1.047 25.053 ( 0.133 0.111 -0.183) 0.252 32.262 ( -0.207 -0.212 0.023) 0.297 32.311 ( -0.002 -0.337 -0.280) 0.439 41.914 ( 7.253 -0.289 0.554) 7.280 42.551 ( -5.115 9.087 -4.007) 11.171 43.037 ( -13.610 3.560 13.176) 19.275 44.666 ( 16.908 -4.884 -12.859) 21.796======================= Grid point 177 (68/146) =======================q-point: (-0.27 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( -3.042 -3.199 7.358) 8.581 2.520 ( -3.587 -3.037 -8.146) 9.405 2.852 ( -3.260 1.053 4.398) 5.575 3.033 ( -2.824 3.992 1.240) 5.045 3.519 ( -17.363 -3.311 3.010) 17.930 4.144 ( 2.256 8.506 -0.933) 8.849 4.226 ( 11.035 8.482 3.714) 14.405 4.341 ( 7.798 -5.716 -7.993) 12.545 4.612 ( -6.220 0.958 -5.698) 8.490 4.693 ( -1.296 6.106 6.986) 9.368 4.934 ( -11.735 -0.073 2.531) 12.005 5.117 ( 0.395 3.095 4.033) 5.099 5.176 ( -0.184 -4.848 -1.767) 5.163 5.351 ( -2.380 -5.818 -1.297) 6.419 5.506 ( 10.842 -2.514 -2.566) 11.422 6.133 ( -10.094 10.775 6.120) 15.982 6.550 ( 5.529 -4.799 -4.685) 8.692 7.940 ( 9.969 5.156 -2.559) 11.512 8.155 ( -3.799 -1.416 -0.986) 4.173 8.215 ( 2.697 -3.734 1.403) 4.815 8.562 ( 0.593 -3.096 -0.808) 3.255 19.856 ( 0.091 -0.054 -0.171) 0.201 20.002 ( 0.066 0.123 0.249) 0.285 20.081 ( -0.130 1.012 -0.049) 1.021 20.104 ( 0.249 -0.395 -0.198) 0.507 24.640 ( -0.769 -0.375 0.305) 0.908 25.057 ( 0.274 0.113 -0.071) 0.305 32.259 ( 0.060 -0.236 0.050) 0.249 32.313 ( 0.604 -0.055 -0.151) 0.626 42.008 ( 2.371 3.313 -2.721) 4.899 42.500 ( -6.601 0.254 3.250) 7.362 42.880 ( -11.682 -0.143 5.702) 13.000 44.899 ( 19.474 0.107 -7.461) 20.855======================= Grid point 178 (69/146) =======================q-point: (-0.18 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( -12.048 -6.588 2.753) 14.005 2.472 ( 1.626 2.589 -4.445) 5.395 2.801 ( -6.301 -2.242 7.379) 9.959 3.060 ( 0.790 2.936 -0.367) 3.062 3.206 ( -17.229 -1.867 5.286) 18.118 4.186 ( -9.188 3.202 3.633) 10.386 4.262 ( 1.307 -4.651 -6.309) 7.946 4.372 ( -13.364 -0.346 -5.355) 14.401 4.566 ( 12.938 2.173 -0.140) 13.120 4.751 ( -5.954 -1.653 -0.499) 6.199 4.787 ( 0.182 2.615 5.453) 6.050 5.056 ( -5.519 -7.540 -2.533) 9.681 5.222 ( -7.520 1.458 0.035) 7.660 5.276 ( 10.574 3.027 4.055) 11.722 5.636 ( 4.264 2.135 -1.537) 5.010 5.906 ( -13.834 -7.243 -1.290) 15.669 6.677 ( 4.398 4.505 1.891) 6.574 7.904 ( -15.838 1.118 -3.534) 16.266 8.066 ( 4.321 -0.558 -0.073) 4.358 8.513 ( 15.364 -5.584 -2.159) 16.489 8.590 ( 11.301 8.843 2.129) 14.507 19.858 ( 0.075 0.457 -0.055) 0.466 20.009 ( 0.743 -0.859 -0.046) 1.137 20.069 ( -1.480 0.370 -0.165) 1.535 20.097 ( -0.971 0.150 -0.016) 0.983 24.626 ( -0.645 -0.320 0.399) 0.823 25.063 ( 0.374 0.024 -0.138) 0.400 32.261 ( 0.457 -0.062 0.005) 0.461 32.328 ( 1.100 0.123 -0.249) 1.134 42.028 ( -3.149 7.193 -6.155) 9.977 42.370 ( -7.377 -9.457 12.016) 16.978 42.718 ( -5.710 -4.949 -1.599) 7.724 45.225 ( 17.634 7.878 -6.750) 20.459======================= Grid point 179 (70/146) =======================q-point: (-0.09 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( -14.142 -3.210 4.974) 15.331 2.503 ( -3.342 -0.315 0.504) 3.394 2.640 ( -7.553 -5.027 3.308) 9.657 3.012 ( -10.827 3.916 9.666) 15.033 3.112 ( 0.043 4.630 0.154) 4.632 3.904 ( -14.290 -10.568 -1.531) 17.839 4.037 ( -19.387 -2.409 2.727) 19.726 4.348 ( 6.322 1.970 -6.655) 9.388 4.609 ( -9.911 -6.604 -2.982) 12.277 4.690 ( 4.474 -1.958 -0.294) 4.893 4.774 ( -3.786 -0.456 2.312) 4.460 5.000 ( 0.374 6.860 -0.908) 6.930 5.121 ( -8.166 6.174 0.540) 10.252 5.543 ( 12.170 1.429 2.573) 12.521 5.612 ( -7.675 -4.469 -6.414) 10.955 5.678 ( -0.551 -0.443 2.394) 2.496 6.744 ( -0.276 -0.453 4.588) 4.618 7.629 ( -17.443 5.275 -4.826) 18.851 8.101 ( 1.950 -2.477 -0.848) 3.265 8.544 ( 1.043 -1.482 1.024) 2.082 9.098 ( 29.725 5.819 -0.573) 30.295 19.865 ( 0.036 0.627 0.215) 0.664 19.993 ( -0.364 -2.819 -0.423) 2.873 20.044 ( -2.296 0.786 -1.195) 2.705 20.086 ( -1.153 1.919 0.739) 2.357 24.617 ( -0.387 -0.257 0.828) 0.949 25.068 ( 0.458 -0.088 -0.333) 0.573 32.273 ( 0.824 0.170 -0.074) 0.845 32.347 ( 1.272 0.101 -0.584) 1.403 41.998 ( -4.786 7.698 -5.226) 10.463 42.218 ( -5.393 -10.724 12.220) 17.130 42.565 ( -2.585 -9.997 -3.893) 11.036 45.533 ( 11.020 12.138 -10.406) 19.418======================= Grid point 185 (71/146) =======================q-point: ( 0.45 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.155 ( -0.000 7.162 7.812) 10.599 2.487 ( 0.000 9.851 2.304) 10.117 2.782 ( -0.000 1.137 4.356) 4.502 2.873 ( 0.000 13.665 3.976) 14.231 3.183 ( -0.000 -8.504 -2.387) 8.833 3.865 ( -0.000 -3.721 7.565) 8.431 3.899 ( -0.000 15.294 12.471) 19.734 4.046 ( 0.000 -4.682 -8.947) 10.098 4.513 ( 0.000 5.960 -6.281) 8.659 4.835 ( 0.000 1.203 -9.042) 9.121 4.999 ( 0.000 7.674 -2.081) 7.951 5.038 ( 0.000 18.763 -3.266) 19.045 5.156 ( -0.000 7.577 8.344) 11.271 5.168 ( 0.000 6.298 0.722) 6.339 5.530 ( 0.000 8.247 -4.719) 9.502 6.458 ( -0.000 -7.786 5.104) 9.310 6.568 ( -0.000 -27.899 0.857) 27.912 7.168 ( 0.000 25.515 -4.071) 25.838 8.203 ( 0.000 -0.119 -1.114) 1.120 8.639 ( -0.000 -10.279 2.570) 10.596 8.858 ( -0.000 -14.897 -2.370) 15.084 19.811 ( -0.000 0.458 0.403) 0.610 19.988 ( -0.000 -0.338 0.097) 0.352 20.001 ( 0.000 3.884 -1.348) 4.111 20.132 ( 0.000 0.894 0.010) 0.894 24.681 ( -0.000 -0.777 1.183) 1.415 25.054 ( 0.000 -0.160 -0.512) 0.537 32.275 ( 0.000 0.055 -0.297) 0.302 32.333 ( 0.000 -0.733 -0.469) 0.870 41.617 ( -0.000 -2.046 1.426) 2.494 42.606 ( 0.000 -0.523 -1.698) 1.777 43.286 ( -0.000 9.413 13.962) 16.839 44.349 ( 0.000 10.340 -23.989) 26.122======================= Grid point 186 (72/146) =======================q-point: ( 0.55 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.228 ( -1.746 4.446 5.600) 7.361 2.632 ( 5.738 3.704 3.299) 7.585 2.809 ( 0.930 -1.644 1.002) 2.138 3.047 ( -1.597 -4.598 -1.964) 5.249 3.225 ( 19.907 13.521 1.879) 24.138 3.857 ( 1.095 -7.228 0.804) 7.354 3.990 ( 3.856 4.942 0.119) 6.270 4.143 ( 4.477 4.338 6.009) 8.658 4.460 ( -5.548 -4.016 -5.520) 8.797 4.756 ( -7.629 13.044 -4.823) 15.862 5.041 ( -3.796 7.586 -1.967) 8.708 5.186 ( 2.578 5.024 1.017) 5.738 5.233 ( 0.967 4.303 -0.877) 4.496 5.288 ( 0.488 9.688 3.530) 10.323 5.633 ( 3.517 11.059 -3.988) 12.271 6.132 ( -10.667 -21.886 2.114) 24.439 6.525 ( 8.055 -12.642 0.729) 15.008 7.436 ( 2.362 26.363 -2.329) 26.571 8.191 ( -0.714 -0.956 -0.238) 1.216 8.540 ( 1.094 -15.399 -0.391) 15.443 8.690 ( -4.681 -8.956 2.303) 10.364 19.825 ( 0.870 0.240 0.393) 0.985 19.996 ( 1.302 -0.351 -0.043) 1.349 20.029 ( -0.389 3.766 -1.068) 3.934 20.124 ( -1.167 -0.125 0.240) 1.198 24.675 ( -0.353 -0.638 0.564) 0.922 25.051 ( -0.009 0.036 -0.293) 0.295 32.273 ( -0.283 0.175 -0.128) 0.357 32.322 ( -0.362 -0.420 -0.278) 0.621 41.655 ( 5.366 -1.543 1.985) 5.926 42.610 ( 1.494 2.328 -3.019) 4.095 43.350 ( -4.384 2.404 3.566) 6.141 44.379 ( 1.146 8.447 -7.730) 11.507======================= Grid point 187 (73/146) =======================q-point: ( 0.64 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.249 ( -1.684 0.635 5.426) 5.717 2.687 ( -5.678 -4.948 -3.357) 8.246 2.782 ( 6.139 0.287 1.015) 6.229 3.071 ( 4.298 -1.433 -0.834) 4.606 3.704 ( 13.455 10.026 1.589) 16.855 3.888 ( 12.734 -2.129 -7.639) 15.002 4.124 ( 6.208 1.711 0.521) 6.461 4.170 ( -11.782 9.066 6.085) 16.063 4.354 ( 9.741 -11.770 0.430) 15.285 4.759 ( -3.244 7.691 -2.014) 8.586 5.035 ( -3.201 6.827 -1.827) 7.758 5.222 ( -4.201 4.053 1.804) 6.109 5.261 ( 0.579 0.178 -0.249) 0.655 5.366 ( 1.321 1.900 -1.105) 2.564 5.570 ( -13.804 -9.393 1.477) 16.761 6.054 ( 10.740 9.894 -2.135) 14.758 6.509 ( 2.099 -11.183 0.638) 11.397 7.704 ( 2.452 20.846 -1.132) 21.020 8.137 ( -2.522 -6.703 2.727) 7.663 8.376 ( -1.051 -12.330 -1.354) 12.449 8.589 ( -2.888 -2.199 1.445) 3.907 19.842 ( 0.760 -0.123 0.247) 0.808 20.013 ( 0.614 -0.167 -0.335) 0.719 20.053 ( 0.221 2.635 -0.398) 2.674 20.104 ( -0.683 -0.588 0.379) 0.978 24.663 ( -0.559 -0.531 0.065) 0.774 25.052 ( 0.051 0.158 -0.071) 0.180 32.267 ( -0.461 0.035 -0.033) 0.463 32.312 ( -0.372 -0.061 -0.060) 0.382 41.774 ( 8.481 -1.078 2.301) 8.853 42.657 ( 0.166 6.010 -4.403) 7.453 43.237 ( -6.866 -5.696 -2.156) 9.178 44.471 ( 2.883 7.268 2.992) 8.372======================= Grid point 188 (74/146) =======================q-point: (-0.27 -0.55 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.240 ( -1.473 -4.299 6.102) 7.608 2.514 ( -4.195 -2.912 -9.618) 10.889 2.891 ( 2.951 2.385 2.912) 4.783 3.077 ( -1.030 -1.646 -0.847) 2.118 3.698 ( -3.614 -12.939 -8.390) 15.839 4.046 ( 0.834 7.805 10.174) 12.850 4.202 ( 5.365 -0.355 -2.696) 6.015 4.284 ( 2.539 14.826 -0.653) 15.056 4.499 ( 12.836 -8.936 1.923) 15.758 4.771 ( 0.083 1.219 0.755) 1.436 5.058 ( 4.295 -5.529 -4.650) 8.404 5.126 ( -10.170 -3.926 0.463) 10.911 5.223 ( -4.893 4.245 -1.389) 6.625 5.320 ( 0.495 -3.675 0.793) 3.792 5.414 ( -1.563 5.773 2.526) 6.492 6.303 ( 4.464 -17.588 -4.520) 18.700 6.419 ( -0.528 17.140 3.741) 17.552 7.894 ( 2.795 9.191 0.073) 9.607 8.060 ( 3.135 -7.859 3.335) 9.095 8.282 ( -4.836 2.108 -1.615) 5.518 8.548 ( -0.698 -0.234 0.166) 0.755 19.851 ( 0.396 0.022 0.088) 0.407 20.008 ( -0.721 0.083 -0.129) 0.737 20.083 ( 1.347 0.419 -0.128) 1.417 20.095 ( -0.222 -0.219 0.265) 0.410 24.648 ( -0.613 -0.463 -0.170) 0.786 25.055 ( 0.109 0.157 0.047) 0.196 32.260 ( -0.335 -0.046 -0.024) 0.339 32.309 ( -0.031 0.260 0.088) 0.276 41.924 ( 8.147 0.005 1.878) 8.361 42.637 ( -6.400 3.569 -3.903) 8.303 43.010 ( -7.954 -11.993 -2.262) 14.567 44.682 ( 9.884 10.999 4.989) 15.607======================= Grid point 189 (75/146) =======================q-point: (-0.18 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.129 ( -5.751 -8.925 0.539) 10.631 2.459 ( 1.206 4.056 -4.453) 6.142 2.935 ( -3.878 1.631 4.207) 5.950 3.001 ( -1.342 -7.486 -1.162) 7.693 3.474 ( -8.151 -3.105 -0.381) 8.731 4.104 ( 3.520 -3.427 -2.231) 5.396 4.291 ( -0.864 -4.138 7.872) 8.936 4.423 ( -2.522 -3.552 -8.867) 9.880 4.496 ( 5.258 7.125 1.491) 8.980 4.798 ( 1.569 -2.641 3.710) 4.817 4.895 ( -11.801 -4.154 1.642) 12.618 4.963 ( -1.154 -7.585 -5.412) 9.389 5.223 ( 0.105 0.762 0.589) 0.968 5.396 ( 0.861 5.889 0.900) 6.019 5.547 ( 8.239 9.007 0.299) 12.210 5.996 ( -10.087 -18.002 -1.845) 20.718 6.658 ( 4.682 9.201 1.485) 10.430 7.989 ( 2.999 1.269 0.297) 3.270 8.148 ( 5.786 -2.736 0.378) 6.412 8.203 ( -3.462 5.709 -0.522) 6.697 8.587 ( 2.748 5.587 0.450) 6.243 19.860 ( 0.308 0.498 0.059) 0.589 19.995 ( -0.406 -0.757 -0.103) 0.865 20.086 ( -0.237 -0.606 0.136) 0.665 20.105 ( 0.393 0.624 -0.046) 0.739 24.633 ( -0.516 -0.405 -0.085) 0.662 25.058 ( 0.141 0.074 0.017) 0.160 32.257 ( 0.060 0.134 -0.016) 0.148 32.316 ( 0.424 0.441 0.040) 0.613 42.050 ( 4.339 2.271 0.280) 4.905 42.482 ( -9.459 -4.280 0.755) 10.410 42.730 ( -7.858 -14.516 -2.538) 16.700 45.051 ( 14.513 16.364 1.839) 21.950======================= Grid point 190 (76/146) =======================q-point: (-0.09 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( -7.202 -5.446 1.179) 9.106 2.528 ( 1.376 3.385 0.166) 3.658 2.758 ( -10.406 -7.137 2.501) 12.864 2.970 ( 3.361 -5.610 0.829) 6.592 3.385 ( -7.521 7.702 4.220) 11.562 3.957 ( -10.676 -17.098 -1.526) 20.215 4.217 ( 4.901 0.317 -3.338) 5.938 4.313 ( -11.901 -3.457 0.443) 12.401 4.636 ( -4.316 -5.890 -1.832) 7.528 4.640 ( 1.798 1.821 1.249) 2.848 4.826 ( -2.780 -1.942 -0.778) 3.479 4.934 ( 6.584 -1.346 0.938) 6.785 5.258 ( 1.165 3.469 0.769) 3.740 5.460 ( 0.811 5.075 1.551) 5.368 5.654 ( -8.238 -11.333 -1.664) 14.109 5.761 ( 0.815 10.245 -1.414) 10.374 6.746 ( 0.742 -0.659 1.968) 2.204 7.969 ( -13.582 7.719 -3.910) 16.104 8.060 ( -2.286 0.607 0.527) 2.423 8.397 ( 14.431 -5.550 0.509) 15.469 8.787 ( 13.061 9.026 1.061) 15.912 19.871 ( 0.204 0.669 0.176) 0.721 19.973 ( -0.529 -2.069 -0.181) 2.143 20.074 ( -0.976 0.326 -0.536) 1.160 20.115 ( -0.109 1.265 0.287) 1.302 24.623 ( -0.290 -0.333 0.294) 0.531 25.061 ( 0.174 -0.025 -0.135) 0.222 32.264 ( 0.450 0.360 -0.022) 0.577 32.330 ( 0.713 0.406 -0.214) 0.848 42.102 ( -1.648 5.112 -3.652) 6.495 42.287 ( -7.747 -9.914 9.965) 16.050 42.468 ( -3.459 -13.875 -5.259) 15.236 45.447 ( 11.675 17.271 -3.449) 21.130======================= Grid point 197 (77/146) =======================q-point: ( 0.55 0.55 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( -0.000 1.895 5.095) 5.436 2.594 ( 0.000 1.009 -0.499) 1.126 2.831 ( -0.000 -1.734 -0.740) 1.885 2.966 ( 0.000 -4.836 -4.698) 6.742 3.155 ( 0.000 10.635 1.457) 10.734 3.735 ( -0.000 -12.706 2.652) 12.980 4.003 ( 0.000 4.196 -0.872) 4.285 4.137 ( 0.000 0.266 -2.863) 2.875 4.544 ( -0.000 3.162 4.964) 5.886 4.921 ( 0.000 7.163 -2.402) 7.555 5.090 ( 0.000 3.233 -2.803) 4.279 5.259 ( -0.000 2.218 1.733) 2.815 5.266 ( 0.000 17.301 -7.326) 18.789 5.383 ( -0.000 2.098 4.349) 4.828 5.651 ( 0.000 7.686 -4.214) 8.765 5.984 ( -0.000 -25.196 -1.711) 25.254 6.360 ( -0.000 -6.789 4.837) 8.335 7.688 ( 0.000 26.976 0.573) 26.982 8.189 ( 0.000 0.172 -1.471) 1.481 8.368 ( -0.000 -18.855 1.851) 18.946 8.677 ( -0.000 -4.690 3.071) 5.606 19.822 ( -0.000 0.133 0.455) 0.474 19.980 ( 0.000 -0.265 -0.252) 0.366 20.066 ( 0.000 3.607 -0.701) 3.675 20.128 ( -0.000 -1.285 0.368) 1.336 24.673 ( -0.000 -0.618 -0.025) 0.619 25.051 ( 0.000 0.162 -0.091) 0.186 32.278 ( 0.000 0.231 -0.061) 0.239 32.322 ( -0.000 -0.078 -0.036) 0.086 41.606 ( -0.000 -1.126 2.248) 2.514 42.580 ( 0.000 0.262 -2.479) 2.492 43.357 ( 0.000 -1.916 -13.304) 13.441 44.501 ( -0.000 10.990 11.879) 16.183======================= Grid point 198 (78/146) =======================q-point: (-0.36 -0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.309 ( -2.290 -2.673 5.347) 6.402 2.616 ( 1.715 -5.528 -6.012) 8.345 2.749 ( 1.599 -0.953 -2.579) 3.181 2.972 ( 2.099 1.412 -2.948) 3.885 3.454 ( 23.802 1.043 0.011) 23.825 3.647 ( 1.024 -4.557 -2.576) 5.334 4.077 ( 3.478 0.661 0.101) 3.542 4.122 ( 5.299 -4.692 -2.864) 7.635 4.519 ( -11.397 6.987 9.698) 16.516 4.895 ( -5.781 2.326 -1.576) 6.428 5.123 ( -0.230 -0.869 -4.893) 4.975 5.236 ( -5.223 -2.619 -3.854) 6.999 5.283 ( -0.387 0.585 1.543) 1.695 5.379 ( -0.702 1.644 -1.730) 2.487 5.740 ( -10.249 -3.791 2.711) 11.259 5.852 ( 14.356 5.385 -4.758) 16.054 6.389 ( 5.491 -2.961 3.598) 7.202 7.890 ( -0.860 8.322 4.250) 9.384 8.126 ( -4.446 -4.701 0.781) 6.517 8.282 ( 3.182 0.240 -0.511) 3.232 8.636 ( -3.053 -1.127 2.504) 4.106 19.830 ( 0.639 -0.226 0.380) 0.777 19.989 ( 1.282 -0.034 -0.394) 1.342 20.088 ( -0.766 2.722 -0.449) 2.863 20.106 ( -0.777 -2.015 0.690) 2.267 24.664 ( -0.271 -0.563 -0.512) 0.808 25.054 ( -0.002 0.260 0.106) 0.281 32.276 ( -0.396 0.090 -0.018) 0.406 32.320 ( -0.354 0.304 0.214) 0.513 41.655 ( 5.383 -0.872 2.660) 6.067 42.620 ( 4.799 1.737 -2.774) 5.808 43.199 ( -3.917 -6.620 -18.327) 19.876 44.655 ( -3.593 10.119 20.060) 22.753======================= Grid point 199 (79/146) =======================q-point: (-0.27 -0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( -2.165 -9.853 3.865) 10.803 2.498 ( -2.378 -1.361 -9.646) 10.027 2.869 ( 5.973 3.303 2.140) 7.153 2.985 ( 4.147 -3.387 -6.514) 8.432 3.492 ( 1.567 -14.973 -8.653) 17.365 3.989 ( 23.933 6.272 -2.860) 24.906 4.122 ( 10.310 -9.574 3.014) 14.389 4.215 ( 1.581 0.993 6.798) 7.050 4.472 ( -7.175 11.939 6.256) 15.270 4.800 ( -3.740 -3.438 0.462) 5.101 4.938 ( -4.295 -7.534 -7.292) 11.331 5.174 ( -2.379 -5.116 -0.916) 5.716 5.257 ( 0.316 -5.373 -1.309) 5.539 5.375 ( -3.758 4.354 -1.168) 5.869 5.587 ( -8.720 5.389 3.113) 10.713 6.021 ( 7.616 -10.745 -3.361) 13.593 6.529 ( 5.317 10.084 1.261) 11.469 7.843 ( 2.676 -17.275 6.991) 18.827 8.082 ( -4.153 6.782 -0.685) 7.982 8.408 ( -0.118 16.905 0.316) 16.909 8.581 ( -3.786 0.135 1.212) 3.978 19.842 ( 0.791 -0.076 0.274) 0.840 20.011 ( 1.042 0.359 -0.452) 1.192 20.072 ( -0.911 -1.484 0.657) 1.861 20.097 ( -0.128 0.193 -0.035) 0.234 24.649 ( -0.397 -0.516 -0.749) 0.992 25.057 ( -0.024 0.275 0.223) 0.355 32.268 ( -0.551 0.067 -0.024) 0.556 32.319 ( -0.428 0.625 0.389) 0.852 41.785 ( 8.672 -0.561 3.136) 9.239 42.697 ( 1.672 1.655 -2.486) 3.423 42.931 ( -5.635 -12.569 -15.950) 21.075 44.810 ( -1.401 12.643 19.047) 22.904======================= Grid point 200 (80/146) =======================q-point: (-0.18 -0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( -2.057 -12.527 -1.855) 12.830 2.463 ( 0.575 3.947 -3.615) 5.383 2.886 ( -0.222 -6.189 -3.528) 7.127 3.051 ( 1.208 1.508 0.769) 2.079 3.328 ( 5.625 -13.512 -10.392) 17.950 4.154 ( -3.717 -2.214 7.191) 8.392 4.255 ( 6.644 -12.943 -0.501) 14.557 4.265 ( 5.615 -1.515 3.806) 6.950 4.556 ( -1.477 10.602 1.451) 10.802 4.740 ( 0.786 -5.078 0.832) 5.206 4.877 ( 2.791 -2.129 -6.017) 6.966 5.024 ( -5.363 -7.715 1.374) 9.496 5.224 ( 3.843 -5.801 -0.158) 6.960 5.340 ( -2.324 10.321 -3.903) 11.277 5.602 ( 0.474 6.301 2.761) 6.896 5.892 ( -2.119 -18.773 0.058) 18.892 6.704 ( 2.447 8.651 -1.228) 9.074 7.831 ( 10.197 -13.211 5.809) 17.671 8.069 ( -2.500 3.139 -0.686) 4.072 8.487 ( -10.090 10.667 1.386) 14.748 8.612 ( 2.300 13.302 -0.794) 13.523 19.857 ( 0.623 0.418 0.093) 0.756 20.008 ( -1.470 -0.156 0.051) 1.479 20.065 ( 1.345 -1.532 0.389) 2.076 20.098 ( 0.637 -0.302 -0.079) 0.709 24.634 ( -0.348 -0.477 -0.668) 0.892 25.060 ( -0.069 0.218 0.229) 0.324 32.262 ( -0.294 0.308 -0.013) 0.426 32.323 ( -0.239 0.825 0.394) 0.945 41.952 ( 8.862 -0.011 3.701) 9.604 42.571 ( -9.280 -6.515 -13.551) 17.669 42.686 ( -4.170 -12.312 1.977) 13.148 45.080 ( 6.459 17.864 11.934) 22.434======================= Grid point 209 (81/146) =======================q-point: (-0.36 -0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.287 ( -0.000 -10.988 2.817) 11.343 2.537 ( 0.000 -4.431 -3.642) 5.736 2.648 ( 0.000 -2.046 -11.488) 11.668 3.019 ( 0.000 7.582 -1.153) 7.669 3.188 ( -0.000 -11.693 2.658) 11.992 3.615 ( 0.000 2.861 -2.796) 4.000 3.941 ( 0.000 -10.869 -8.305) 13.678 4.112 ( -0.000 4.741 4.521) 6.551 4.725 ( -0.000 1.997 9.459) 9.668 4.941 ( 0.000 -1.723 -1.962) 2.611 5.062 ( 0.000 -1.875 -3.746) 4.189 5.186 ( -0.000 -12.412 -5.489) 13.571 5.294 ( -0.000 -1.819 2.945) 3.462 5.385 ( -0.000 -3.797 -2.137) 4.357 5.690 ( 0.000 -0.751 -2.286) 2.406 5.944 ( 0.000 18.195 -2.445) 18.358 6.326 ( -0.000 -0.431 3.325) 3.352 7.816 ( -0.000 -22.928 7.682) 24.181 8.184 ( 0.000 1.018 -1.747) 2.022 8.357 ( 0.000 19.536 0.613) 19.546 8.696 ( -0.000 4.793 4.664) 6.688 19.822 ( -0.000 -0.598 0.418) 0.730 19.976 ( 0.000 0.210 -0.513) 0.554 20.090 ( -0.000 -2.519 0.742) 2.626 20.121 ( 0.000 1.617 -0.098) 1.620 24.657 ( 0.000 -0.538 -1.007) 1.142 25.058 ( -0.000 0.370 0.271) 0.459 32.280 ( -0.000 0.077 0.072) 0.106 32.330 ( -0.000 0.637 0.464) 0.788 41.616 ( -0.000 -0.446 2.897) 2.932 42.570 ( 0.000 1.593 -3.090) 3.477 43.066 ( 0.000 -7.143 -22.068) 23.195 44.900 ( -0.000 7.703 27.069) 28.144======================= Grid point 210 (82/146) =======================q-point: (-0.27 -0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( -1.075 -16.983 -3.582) 17.389 2.478 ( 0.424 -2.197 -4.563) 5.083 2.667 ( 8.996 -1.617 -7.106) 11.577 3.017 ( -6.065 1.886 -2.510) 6.830 3.199 ( 11.929 -15.030 -0.356) 19.192 3.702 ( 8.722 2.467 -4.304) 10.034 3.867 ( 9.575 -9.610 -3.323) 13.967 4.227 ( 3.987 5.201 5.581) 8.607 4.683 ( -5.762 -2.829 5.530) 8.472 4.843 ( -6.460 -3.196 -0.400) 7.219 4.957 ( -4.967 -3.040 -5.761) 8.192 5.138 ( 2.901 -3.199 -1.142) 4.467 5.183 ( -5.575 -13.122 0.792) 14.279 5.388 ( 4.252 -1.765 3.229) 5.623 5.690 ( 1.959 -4.853 -0.899) 5.310 5.980 ( -9.908 11.029 -5.773) 15.910 6.480 ( 10.233 8.184 -0.697) 13.122 7.635 ( 2.119 -23.178 8.465) 24.767 8.171 ( -1.881 1.938 -1.510) 3.094 8.519 ( 2.044 8.109 -1.581) 8.511 8.790 ( -6.038 19.114 7.910) 21.550 19.826 ( 0.937 -0.437 0.472) 1.136 19.987 ( 1.280 0.259 -0.610) 1.442 20.065 ( -0.210 -2.980 1.119) 3.190 20.117 ( -1.498 0.379 -0.247) 1.565 24.644 ( -0.182 -0.500 -1.274) 1.380 25.063 ( -0.069 0.430 0.368) 0.570 32.278 ( -0.446 0.185 0.121) 0.497 32.337 ( -0.373 0.911 0.649) 1.179 41.676 ( 5.348 -0.013 3.376) 6.324 42.616 ( 4.664 0.202 -2.582) 5.335 42.837 ( -4.864 -8.529 -20.550) 22.775 45.079 ( -3.107 7.726 27.212) 28.458======================= Grid point 211 (83/146) =======================q-point: (-0.18 -0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 0.963 -17.136 -6.855) 18.481 2.471 ( 1.096 1.251 -1.587) 2.299 2.786 ( 7.323 -7.613 -8.761) 13.723 2.889 ( 3.771 -6.887 -2.321) 8.187 3.172 ( -1.116 -5.419 -4.780) 7.312 3.888 ( 18.655 -14.399 2.689) 23.719 4.007 ( 11.563 -4.403 -3.546) 12.871 4.324 ( -2.995 1.738 7.270) 8.052 4.667 ( 4.551 2.658 1.432) 5.461 4.731 ( -5.871 1.699 2.305) 6.532 4.838 ( -2.567 -3.110 -4.994) 6.419 4.932 ( -2.743 -17.745 0.476) 17.962 5.121 ( 0.784 -5.369 0.138) 5.428 5.474 ( 2.035 4.206 2.616) 5.355 5.646 ( -0.888 -4.415 0.403) 4.521 5.834 ( -9.793 0.959 -4.793) 10.946 6.693 ( 5.960 6.149 -3.658) 9.312 7.560 ( 7.694 -16.929 7.450) 20.032 8.143 ( -2.811 1.504 -0.614) 3.247 8.566 ( 0.219 0.474 -1.720) 1.798 8.943 ( -8.006 28.550 5.903) 30.233 19.847 ( 1.145 0.233 0.373) 1.226 20.015 ( 1.933 0.207 -0.350) 1.975 20.038 ( -0.827 -2.363 1.265) 2.805 20.084 ( -0.831 -1.504 -0.522) 1.796 24.629 ( -0.203 -0.484 -1.216) 1.325 25.067 ( -0.187 0.416 0.386) 0.598 32.273 ( -0.525 0.493 0.096) 0.727 32.342 ( -0.543 1.112 0.708) 1.426 41.819 ( 8.682 0.268 4.207) 9.652 42.518 ( -6.343 -12.305 -15.076) 20.468 42.674 ( -0.525 -2.046 -1.446) 2.559 45.263 ( 0.257 12.148 20.843) 24.127======================= Grid point 221 (84/146) =======================q-point: (-0.27 -0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( -0.000 -19.899 -9.848) 22.203 2.349 ( -0.000 -10.439 -5.368) 11.738 2.606 ( 0.000 3.555 -3.897) 5.275 2.874 ( -0.000 -20.488 2.878) 20.690 3.151 ( 0.000 6.167 -3.443) 7.063 3.586 ( -0.000 -17.019 -5.534) 17.896 3.678 ( 0.000 4.916 -3.664) 6.131 4.270 ( -0.000 5.879 5.461) 8.024 4.701 ( -0.000 -4.857 3.745) 6.133 4.819 ( 0.000 -11.919 -8.609) 14.703 4.974 ( 0.000 -3.010 -3.075) 4.303 5.006 ( -0.000 -10.201 1.638) 10.332 5.220 ( -0.000 -8.868 2.863) 9.318 5.279 ( -0.000 -2.427 8.266) 8.615 5.608 ( -0.000 -5.020 -0.640) 5.060 6.253 ( 0.000 19.674 -14.867) 24.659 6.390 ( 0.000 3.480 1.785) 3.911 7.438 ( -0.000 -21.403 9.646) 23.477 8.190 ( 0.000 1.256 -1.934) 2.306 8.537 ( 0.000 2.626 -2.899) 3.911 9.119 ( 0.000 25.153 11.933) 27.840 19.814 ( -0.000 -0.500 0.669) 0.835 19.975 ( 0.000 0.228 -0.715) 0.750 20.040 ( -0.000 -3.314 1.065) 3.481 20.130 ( -0.000 -0.732 -0.167) 0.751 24.634 ( 0.000 -0.436 -1.611) 1.668 25.070 ( -0.000 0.553 0.433) 0.703 32.286 ( -0.000 0.387 0.274) 0.475 32.354 ( -0.000 1.131 0.830) 1.403 41.651 ( -0.000 0.832 3.622) 3.717 42.573 ( 0.000 2.006 -3.798) 4.295 42.689 ( 0.000 -9.357 -19.090) 21.260 45.309 ( -0.000 4.172 30.388) 30.673======================= Grid point 222 (85/146) =======================q-point: (-0.18 -0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( 1.414 -20.147 -11.915) 23.450 2.299 ( 10.442 -12.888 -4.683) 17.236 2.625 ( 0.955 2.209 -2.529) 3.491 2.734 ( 1.660 -19.937 -1.203) 20.043 3.144 ( 1.359 -0.342 -2.632) 2.982 3.482 ( 8.882 -13.301 -1.441) 16.059 3.794 ( 8.740 1.081 -3.551) 9.496 4.389 ( 2.598 3.831 5.769) 7.396 4.576 ( 2.105 -28.209 -7.964) 29.387 4.668 ( -1.685 1.694 2.740) 3.636 4.856 ( -4.558 -1.722 -1.524) 5.105 4.959 ( -4.070 -6.057 3.469) 8.080 5.072 ( -2.367 -6.491 1.090) 6.995 5.405 ( 6.982 -1.903 7.582) 10.482 5.569 ( 1.450 -6.121 -0.173) 6.293 6.127 ( -16.066 12.177 -9.707) 22.374 6.597 ( 9.412 6.223 -5.414) 12.515 7.337 ( 4.246 -16.068 8.934) 18.869 8.181 ( -1.178 0.752 -1.423) 1.995 8.546 ( 0.890 0.767 -3.783) 3.961 9.384 ( -5.684 27.300 11.443) 30.142 19.828 ( 1.373 0.098 0.821) 1.602 19.982 ( 1.151 -0.316 -0.449) 1.275 20.018 ( 0.604 -2.713 0.826) 2.900 20.096 ( -2.132 -2.152 -0.373) 3.052 24.620 ( -0.098 -0.405 -1.637) 1.689 25.077 ( -0.163 0.595 0.427) 0.750 32.288 ( -0.450 0.706 0.267) 0.878 32.367 ( -0.410 1.283 0.900) 1.620 41.728 ( 5.173 1.482 4.182) 6.816 42.440 ( -5.699 -9.304 -14.177) 17.890 42.621 ( 3.204 -0.528 -4.140) 5.261 45.483 ( -1.139 5.238 27.511) 28.028======================= Grid point 233 (86/146) =======================q-point: (-0.18 -0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( 0.000 -21.368 -14.290) 25.706 2.000 ( -0.000 -21.009 -4.292) 21.443 2.509 ( -0.000 -18.318 1.653) 18.393 2.647 ( 0.000 0.504 -0.656) 0.827 2.977 ( -0.000 -20.082 -2.157) 20.197 3.393 ( 0.000 2.192 -3.266) 3.934 3.725 ( 0.000 3.546 -2.573) 4.381 4.163 ( -0.000 -39.995 -9.639) 41.140 4.431 ( -0.000 5.234 4.098) 6.647 4.737 ( -0.000 4.146 2.493) 4.838 4.897 ( 0.000 -1.929 -2.687) 3.308 4.903 ( -0.000 -3.704 2.895) 4.701 5.036 ( -0.000 -12.025 3.704) 12.582 5.373 ( -0.000 0.166 8.000) 8.002 5.492 ( -0.000 -6.060 -1.507) 6.245 6.407 ( 0.000 14.060 -17.564) 22.498 6.479 ( 0.000 3.551 1.897) 4.026 7.203 ( -0.000 -13.088 8.753) 15.745 8.188 ( 0.000 0.586 -2.028) 2.111 8.521 ( 0.000 0.793 -5.322) 5.381 9.755 ( 0.000 25.094 14.174) 28.820 19.821 ( -0.000 0.319 1.137) 1.180 19.968 ( 0.000 -0.167 -0.840) 0.857 19.986 ( -0.000 -3.100 0.657) 3.169 20.090 ( -0.000 -2.992 -0.317) 3.009 24.609 ( 0.000 -0.310 -1.831) 1.858 25.087 ( 0.000 0.685 0.375) 0.781 32.302 ( 0.000 0.942 0.340) 1.001 32.388 ( -0.000 1.350 0.923) 1.635 41.724 ( -0.000 2.505 4.338) 5.009 42.344 ( 0.000 -9.170 -12.619) 15.599 42.563 ( 0.000 1.166 -4.524) 4.672 45.671 ( -0.000 1.671 30.106) 30.153======================= Grid point 270 (87/146) =======================q-point: ( 0.18 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.688 ( -0.000 0.000 22.863) 22.863 0.688 ( -0.000 0.000 22.863) 22.863 1.310 ( -0.000 0.000 42.179) 42.179 2.040 ( -0.000 0.000 3.974) 3.974 2.040 ( -0.000 0.000 3.974) 3.974 3.119 ( -0.000 0.000 0.249) 0.249 3.933 ( -0.000 0.000 2.235) 2.235 4.522 ( 0.000 -0.000 -2.053) 2.053 4.536 ( 0.000 -0.000 -4.979) 4.979 4.536 ( 0.000 -0.000 -4.979) 4.979 4.824 ( 0.000 -0.000 -16.189) 16.189 4.884 ( 0.000 -0.000 -5.048) 5.048 4.884 ( 0.000 -0.000 -5.048) 5.048 5.086 ( -0.000 0.000 -0.704) 0.704 5.086 ( 0.000 -0.000 -0.704) 0.704 6.752 ( -0.000 0.000 7.017) 7.017 6.752 ( -0.000 0.000 7.017) 7.017 6.956 ( -0.000 0.000 1.779) 1.779 8.127 ( 0.000 -0.000 -1.828) 1.828 8.127 ( 0.000 -0.000 -1.828) 1.828 10.356 ( -0.000 0.000 0.532) 0.532 19.869 ( 0.000 -0.000 -1.051) 1.051 19.869 ( 0.000 -0.000 -1.051) 1.051 19.943 ( -0.000 0.000 1.028) 1.028 19.943 ( -0.000 0.000 1.028) 1.028 24.857 ( 0.000 -0.000 -0.325) 0.325 25.116 ( 0.000 -0.000 -0.100) 0.100 32.385 ( -0.000 0.000 0.284) 0.284 32.442 ( 0.000 -0.000 -0.206) 0.206 41.952 ( 0.000 0.000 1.251) 1.251 41.952 ( 0.000 -0.000 1.251) 1.251 42.469 ( 0.000 0.000 -1.681) 1.681 42.469 ( -0.000 -0.000 -1.681) 1.681======================= Grid point 271 (88/146) =======================q-point: ( 0.27 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( 19.783 11.422 19.586) 30.090 1.190 ( 24.206 13.976 18.846) 33.711 1.797 ( 28.988 16.736 29.174) 44.402 2.076 ( 4.119 2.378 0.609) 4.795 2.309 ( 18.292 10.561 6.493) 22.097 3.080 ( -3.033 -1.751 -0.111) 3.504 3.897 ( -4.016 -2.318 1.839) 4.988 4.173 ( -24.238 -13.994 3.779) 28.241 4.531 ( 2.861 1.652 -9.083) 9.665 4.538 ( 2.019 1.165 -1.936) 3.030 4.561 ( 2.759 1.593 -2.054) 3.791 4.903 ( 4.198 2.424 -10.295) 11.379 5.037 ( -1.695 -0.979 -1.110) 2.250 5.054 ( -0.273 -0.157 2.197) 2.219 5.262 ( 10.821 6.248 -9.320) 15.589 6.647 ( -12.369 -7.141 4.163) 14.877 6.812 ( 0.467 0.270 0.725) 0.903 6.825 ( 0.587 0.339 7.427) 7.458 8.088 ( -0.997 -0.576 -2.352) 2.619 8.547 ( 17.440 10.069 -0.550) 20.145 10.283 ( -4.650 -2.685 -7.826) 9.491 19.846 ( -0.285 -0.165 -1.054) 1.104 19.882 ( 0.437 0.252 -1.089) 1.201 19.938 ( -0.213 -0.123 1.221) 1.246 19.975 ( 1.804 1.042 0.716) 2.203 24.771 ( -5.181 -2.991 3.388) 6.876 25.103 ( -0.744 -0.430 -0.315) 0.915 32.366 ( -1.704 -0.984 0.637) 2.069 32.412 ( -1.432 -0.827 -0.682) 1.789 41.964 ( 2.494 1.440 2.205) 3.627 42.040 ( 2.701 1.559 3.515) 4.699 42.356 ( -4.569 -2.638 -3.986) 6.613 43.559 ( 67.910 39.208 -42.712) 89.294======================= Grid point 272 (89/146) =======================q-point: ( 0.36 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 9.211 5.318 25.022) 27.189 1.797 ( 19.095 11.025 14.700) 26.500 2.266 ( 14.493 8.368 -0.721) 16.751 2.659 ( 26.870 15.514 13.731) 33.930 2.825 ( 18.103 10.452 8.251) 22.474 3.078 ( 13.586 7.844 -2.876) 15.949 3.762 ( -14.193 -8.194 0.732) 16.405 3.789 ( -5.436 -3.139 -0.272) 6.283 4.582 ( 2.250 1.299 -0.754) 2.705 4.588 ( 4.631 2.674 -5.071) 7.370 4.621 ( 2.856 1.649 -2.221) 3.976 4.958 ( -3.836 -2.215 -1.978) 4.851 4.962 ( 4.799 2.771 -6.796) 8.769 5.099 ( 3.786 2.186 0.335) 4.384 5.394 ( 5.203 3.004 -5.028) 7.834 6.427 ( -8.860 -5.115 3.045) 10.674 6.848 ( -1.503 -0.868 5.885) 6.135 6.892 ( 6.108 3.527 -2.073) 7.352 8.061 ( -0.466 -0.269 -1.726) 1.808 8.732 ( -0.674 -0.389 7.620) 7.660 10.082 ( -8.268 -4.773 -13.922) 16.880 19.855 ( 1.747 1.009 -1.496) 2.511 19.880 ( -0.077 -0.045 -0.923) 0.927 19.944 ( 0.066 0.038 1.168) 1.170 20.028 ( 2.571 1.484 0.433) 3.000 24.701 ( -2.751 -1.588 3.470) 4.704 25.083 ( -0.735 -0.424 -0.668) 1.080 32.328 ( -1.588 -0.917 -0.105) 1.837 32.381 ( -1.055 -0.609 -1.000) 1.576 42.073 ( 5.017 2.897 5.942) 8.299 42.108 ( 1.413 0.816 5.009) 5.268 42.230 ( -4.379 -2.528 -5.393) 7.393 44.549 ( 40.720 23.510 -44.055) 64.433======================= Grid point 273 (90/146) =======================q-point: ( 0.45 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 5.937 3.428 22.281) 23.312 2.137 ( 8.399 4.849 6.982) 11.950 2.725 ( 22.292 12.870 4.363) 26.108 2.815 ( -2.565 -1.481 1.821) 3.477 3.186 ( 5.785 3.340 7.468) 10.019 3.568 ( 0.891 0.514 2.705) 2.894 3.671 ( -4.102 -2.368 -2.592) 5.399 3.754 ( 30.511 17.616 -1.982) 35.287 4.573 ( -2.532 -1.462 -5.303) 6.055 4.669 ( 4.141 2.391 -1.567) 5.032 4.685 ( 3.278 1.893 2.245) 4.401 4.876 ( -1.912 -1.104 -2.052) 3.014 5.068 ( 6.637 3.832 -1.598) 7.829 5.210 ( 5.860 3.383 -1.938) 7.038 5.498 ( 7.211 4.163 -4.603) 9.514 6.226 ( -12.865 -7.427 8.988) 17.362 6.819 ( -3.009 -1.737 2.868) 4.506 7.072 ( 12.095 6.983 -6.195) 15.279 8.047 ( -0.361 -0.209 -0.170) 0.451 8.688 ( -4.732 -2.732 6.120) 8.204 9.771 ( -13.472 -7.778 -12.332) 19.852 19.874 ( -0.014 -0.008 -0.866) 0.867 19.906 ( 3.361 1.941 -1.612) 4.203 19.948 ( -0.210 -0.121 1.136) 1.161 20.088 ( 2.392 1.381 0.270) 2.775 24.671 ( -1.479 -0.854 2.527) 3.050 25.065 ( -0.502 -0.290 -0.727) 0.930 32.298 ( -0.909 -0.525 -0.476) 1.153 32.354 ( -0.834 -0.482 -0.938) 1.344 42.095 ( -3.152 -1.820 -9.141) 9.839 42.171 ( 0.038 0.022 8.953) 8.953 42.228 ( 4.619 2.667 10.226) 11.534 45.053 ( 23.477 13.554 -33.160) 42.830======================= Grid point 274 (91/146) =======================q-point: ( 0.55 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.075 ( 2.075 1.198 18.419) 18.574 2.314 ( 5.029 2.904 5.114) 7.738 2.788 ( -0.061 -0.035 1.652) 1.653 3.068 ( -10.476 -6.048 -4.045) 12.755 3.189 ( 15.613 9.014 2.729) 18.233 3.591 ( -1.578 -0.911 -1.840) 2.589 3.806 ( 10.049 5.802 8.060) 14.128 4.239 ( 14.469 8.354 0.150) 16.708 4.439 ( -5.629 -3.250 -7.944) 10.264 4.771 ( 3.675 2.122 1.847) 4.628 4.778 ( 3.136 1.810 4.741) 5.965 4.869 ( 2.819 1.627 -2.737) 4.252 5.229 ( 7.324 4.228 1.097) 8.528 5.325 ( 5.089 2.938 -2.139) 6.253 5.665 ( 7.071 4.082 -6.513) 10.444 5.945 ( -14.034 -8.102 11.812) 20.053 6.745 ( -3.956 -2.284 -0.883) 4.652 7.391 ( 19.447 11.228 -6.866) 23.482 8.044 ( -0.239 -0.138 1.622) 1.645 8.610 ( -4.270 -2.465 2.049) 5.339 9.365 ( -17.064 -9.852 -9.031) 21.675 19.870 ( 0.080 0.046 -0.997) 1.001 19.946 ( -0.453 -0.261 1.187) 1.297 19.982 ( 3.839 2.216 -1.189) 4.589 20.132 ( 1.306 0.754 0.119) 1.512 24.654 ( -1.031 -0.595 1.682) 2.060 25.055 ( -0.100 -0.058 -0.501) 0.514 32.282 ( -0.344 -0.199 -0.296) 0.495 32.337 ( -0.343 -0.198 -0.720) 0.822 41.974 ( -3.254 -1.879 -9.133) 9.875 42.229 ( 0.988 0.571 9.195) 9.266 42.365 ( 2.064 1.192 13.260) 13.472 45.331 ( 15.027 8.676 -24.542) 30.056======================= Grid point 275 (92/146) =======================q-point: ( 0.64 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( -2.882 -1.664 17.358) 17.674 2.411 ( 1.008 0.582 5.101) 5.233 2.773 ( -8.885 -5.130 -6.367) 12.075 2.851 ( 1.906 1.100 -0.196) 2.209 3.391 ( 2.931 1.692 -5.550) 6.500 3.590 ( -0.176 -0.102 4.147) 4.152 3.940 ( -0.536 -0.309 0.911) 1.101 4.290 ( -2.385 -1.377 -8.982) 9.394 4.569 ( 13.968 8.064 10.626) 19.314 4.804 ( -1.292 -0.746 6.075) 6.256 4.862 ( 1.733 1.000 6.195) 6.510 4.940 ( 2.267 1.309 -3.428) 4.313 5.367 ( 3.168 1.829 -0.316) 3.672 5.431 ( 5.277 3.047 2.134) 6.456 5.518 ( -11.575 -6.683 -0.070) 13.366 5.931 ( 3.893 2.247 -1.574) 4.762 6.634 ( -4.515 -2.607 -4.748) 7.052 7.858 ( 23.197 13.393 -4.627) 27.182 8.058 ( 0.582 0.336 2.967) 3.042 8.461 ( -11.149 -6.437 -0.585) 12.887 8.988 ( -10.005 -5.776 -7.469) 13.757 19.863 ( -0.291 -0.168 -1.145) 1.193 19.944 ( -0.144 -0.083 1.183) 1.194 20.057 ( 2.979 1.720 -0.394) 3.462 20.144 ( -0.220 -0.127 -0.184) 0.313 24.639 ( -0.893 -0.515 1.091) 1.501 25.056 ( 0.261 0.151 -0.206) 0.365 32.278 ( -0.000 -0.000 -0.028) 0.028 32.333 ( 0.289 0.167 -0.450) 0.560 41.861 ( -2.740 -1.582 -8.368) 8.946 42.309 ( 2.043 1.179 8.650) 8.966 42.448 ( -0.987 -0.570 14.664) 14.708 45.506 ( 10.676 6.164 -19.256) 22.864======================= Grid point 276 (93/146) =======================q-point: (-0.27 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( -13.462 -7.772 15.464) 21.927 2.402 ( -4.064 -2.346 4.530) 6.523 2.585 ( -1.800 -1.039 -7.496) 7.779 2.959 ( 5.702 3.292 1.720) 6.805 3.287 ( -10.485 -6.053 -3.750) 12.674 3.591 ( 0.925 0.534 -0.358) 1.126 3.823 ( -9.427 -5.443 -0.132) 10.886 4.272 ( 3.598 2.077 -6.409) 7.637 4.763 ( -2.861 -1.652 5.962) 6.816 4.839 ( -4.931 -2.847 9.819) 11.351 4.911 ( -0.189 -0.109 6.015) 6.019 5.008 ( 10.367 5.986 1.148) 12.026 5.360 ( -1.368 -0.790 -2.831) 3.241 5.372 ( -1.929 -1.114 -1.673) 2.786 5.548 ( 2.221 1.282 5.693) 6.244 5.946 ( -0.659 -0.380 -1.729) 1.889 6.512 ( -3.043 -1.757 -7.273) 8.077 7.997 ( -17.537 -10.125 -2.684) 20.428 8.099 ( 1.529 0.883 3.392) 3.824 8.387 ( 11.999 6.928 -1.538) 13.940 8.927 ( 9.392 5.422 -8.692) 13.898 19.846 ( -0.634 -0.366 -1.143) 1.357 19.952 ( 0.264 0.152 1.015) 1.060 20.096 ( -0.332 -0.192 0.370) 0.533 20.129 ( -0.170 -0.098 -0.571) 0.604 24.625 ( -0.806 -0.465 0.854) 1.263 25.064 ( 0.477 0.275 -0.072) 0.556 32.281 ( 0.238 0.138 0.044) 0.279 32.344 ( 0.837 0.483 -0.346) 1.026 41.772 ( -1.583 -0.914 -7.166) 7.395 42.404 ( 2.673 1.543 7.557) 8.163 42.470 ( -3.706 -2.139 14.959) 15.559 45.625 ( 8.231 4.752 -17.399) 19.826======================= Grid point 277 (94/146) =======================q-point: (-0.18 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( -18.938 -10.934 11.369) 24.646 2.274 ( -9.321 -5.382 4.334) 11.603 2.592 ( 2.978 1.719 -1.861) 3.910 2.928 ( -18.126 -10.465 -4.028) 21.314 3.096 ( 4.073 2.352 3.370) 5.786 3.542 ( -14.244 -8.224 0.485) 16.455 3.644 ( 3.135 1.810 0.992) 3.753 4.345 ( 4.872 2.813 -4.756) 7.366 4.684 ( -11.558 -6.673 7.945) 15.532 4.727 ( -3.718 -2.147 1.239) 4.468 4.917 ( -1.470 -0.848 4.390) 4.706 5.037 ( -7.039 -4.064 -1.931) 8.354 5.259 ( -7.349 -4.243 -2.091) 8.739 5.391 ( 2.518 1.454 -6.568) 7.183 5.568 ( -2.554 -1.474 4.426) 5.319 6.044 ( 9.932 5.734 11.957) 16.568 6.450 ( 0.792 0.458 -5.897) 5.968 7.557 ( -17.028 -9.831 -5.720) 20.477 8.152 ( 1.507 0.870 2.963) 3.437 8.505 ( 0.464 0.268 1.176) 1.292 9.296 ( 23.617 13.635 -10.833) 29.344 19.828 ( -0.363 -0.210 -1.137) 1.212 19.963 ( 0.204 0.118 0.888) 0.919 20.052 ( -2.726 -1.574 -0.372) 3.170 20.126 ( -0.770 -0.445 0.252) 0.924 24.613 ( -0.654 -0.378 1.040) 1.285 25.075 ( 0.572 0.330 -0.160) 0.680 32.289 ( 0.494 0.285 -0.108) 0.581 32.365 ( 1.152 0.665 -0.540) 1.436 41.723 ( 0.202 0.116 -5.798) 5.803 42.434 ( -6.068 -3.503 14.385) 16.000 42.497 ( 2.332 1.346 6.152) 6.715 45.696 ( 6.171 3.563 -19.879) 21.117======================= Grid point 282 (95/146) =======================q-point: ( 0.27 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( -0.000 21.869 14.998) 26.518 1.324 ( -0.000 17.836 22.325) 28.574 1.985 ( -0.000 27.797 29.266) 40.363 2.190 ( -0.000 7.889 5.621) 9.686 2.260 ( 0.000 22.834 1.720) 22.899 3.101 ( -0.000 -0.139 0.888) 0.899 3.920 ( -0.000 -3.169 2.164) 3.838 4.197 ( -0.000 -21.744 -1.623) 21.804 4.418 ( 0.000 -3.170 -7.743) 8.367 4.549 ( 0.000 4.980 -2.942) 5.784 4.626 ( 0.000 8.979 -1.784) 9.154 4.885 ( 0.000 3.111 -0.284) 3.124 4.939 ( 0.000 -6.927 -7.214) 10.002 5.107 ( 0.000 6.206 -8.494) 10.520 5.157 ( 0.000 5.870 -3.137) 6.655 6.723 ( -0.000 -10.460 -2.471) 10.748 6.746 ( -0.000 -4.916 6.907) 8.478 6.918 ( -0.000 4.687 8.188) 9.434 8.151 ( 0.000 2.332 -1.643) 2.852 8.510 ( 0.000 25.228 -3.416) 25.458 10.176 ( -0.000 -18.204 -3.942) 18.626 19.835 ( -0.000 -1.267 -0.632) 1.416 19.882 ( 0.000 1.146 -1.218) 1.673 19.961 ( 0.000 1.892 0.926) 2.107 19.966 ( -0.000 0.738 0.666) 0.994 24.786 ( -0.000 -5.088 2.512) 5.674 25.102 ( -0.000 -0.950 -0.263) 0.985 32.366 ( -0.000 -2.392 0.636) 2.475 32.410 ( -0.000 -1.700 -0.571) 1.793 41.856 ( -0.000 -5.868 0.699) 5.909 42.166 ( 0.000 12.365 7.056) 14.236 42.546 ( 0.000 4.120 -1.141) 4.275 43.176 ( 0.000 61.202 -38.007) 72.043======================= Grid point 283 (96/146) =======================q-point: ( 0.36 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( 7.583 10.163 21.491) 24.953 1.659 ( 23.281 18.077 14.044) 32.650 2.233 ( -0.881 13.885 3.090) 14.252 2.585 ( 18.571 23.427 13.291) 32.716 2.659 ( 13.804 17.639 6.855) 23.423 3.125 ( -1.978 13.720 2.784) 14.139 3.840 ( -6.951 -6.478 -0.223) 9.504 3.917 ( -9.786 -5.540 -1.579) 11.355 4.407 ( 6.063 -3.852 -5.936) 9.318 4.608 ( 1.100 6.872 -2.185) 7.294 4.703 ( -1.701 9.945 0.593) 10.107 4.838 ( 4.114 -3.037 -6.197) 8.034 4.985 ( 3.065 -3.311 0.956) 4.612 5.042 ( -1.924 1.965 -5.559) 6.202 5.292 ( 7.098 5.012 -6.432) 10.811 6.537 ( -7.847 -3.282 -0.922) 8.555 6.803 ( 5.766 -2.696 2.238) 6.747 6.954 ( -4.789 3.602 6.811) 9.071 8.115 ( -4.046 3.596 -1.442) 5.601 8.765 ( 3.329 8.096 3.828) 9.555 9.946 ( 0.533 -20.752 -10.403) 23.220 19.828 ( 0.901 -0.514 -0.583) 1.190 19.884 ( -0.294 1.095 -1.292) 1.719 19.975 ( -0.955 2.444 0.669) 2.708 20.000 ( 1.961 0.982 0.636) 2.284 24.737 ( -1.949 -3.088 3.001) 4.726 25.086 ( -0.515 -0.815 -0.532) 1.101 32.334 ( -0.919 -2.338 0.126) 2.515 32.385 ( -0.792 -1.072 -0.732) 1.521 41.866 ( 7.025 -6.986 1.688) 10.051 42.320 ( -3.564 13.643 10.910) 17.829 42.412 ( -12.674 9.408 -4.561) 16.430 43.906 ( 37.575 34.701 -42.068) 66.225======================= Grid point 284 (97/146) =======================q-point: ( 0.45 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 6.397 3.081 20.286) 21.492 2.233 ( 6.648 19.678 11.251) 23.622 2.464 ( 16.537 9.413 1.386) 19.078 2.864 ( 2.425 2.671 4.509) 5.774 3.141 ( 13.852 10.211 5.162) 17.967 3.509 ( 17.104 20.565 5.049) 27.220 3.636 ( -5.739 6.247 -2.422) 8.822 3.776 ( -7.535 3.434 -1.856) 8.486 4.444 ( 5.104 -5.264 -4.207) 8.453 4.694 ( 2.015 7.070 -0.072) 7.352 4.750 ( -3.690 7.633 -0.732) 8.510 4.877 ( 1.847 -1.821 -3.064) 4.014 4.956 ( 5.505 -1.022 -1.444) 5.782 5.114 ( 6.327 2.397 -2.375) 7.171 5.402 ( 5.240 3.360 -4.878) 7.908 6.390 ( -9.044 -3.130 5.428) 11.002 6.896 ( -1.353 -0.135 -0.491) 1.445 6.928 ( 4.730 3.069 0.227) 5.643 8.091 ( -2.625 3.386 0.173) 4.288 8.783 ( -5.557 -2.687 7.358) 9.604 9.691 ( -1.180 -18.883 -14.018) 23.547 19.850 ( 1.977 -0.083 -0.579) 2.062 19.887 ( 0.275 1.889 -1.452) 2.399 19.981 ( -1.462 2.228 0.791) 2.780 20.053 ( 2.817 0.668 0.398) 2.922 24.699 ( -1.597 -1.556 2.537) 3.378 25.067 ( -0.503 -0.511 -0.691) 0.996 32.300 ( -0.722 -1.353 -0.426) 1.592 32.358 ( -0.820 -0.883 -0.717) 1.403 41.944 ( 8.352 -7.390 1.892) 11.312 42.251 ( -8.852 5.883 -2.578) 10.936 42.482 ( -6.126 17.216 12.756) 22.285 44.528 ( 31.415 14.434 -36.394) 50.197======================= Grid point 285 (98/146) =======================q-point: ( 0.55 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( 4.508 0.417 16.020) 16.647 2.453 ( -2.991 17.677 6.629) 19.115 2.722 ( 5.558 -3.567 3.563) 7.504 3.092 ( 8.635 8.048 0.813) 11.831 3.180 ( -4.236 3.188 0.216) 5.306 3.612 ( -3.202 1.271 -1.780) 3.877 3.846 ( 5.703 15.254 6.218) 17.432 4.046 ( 16.792 11.742 -0.758) 20.504 4.419 ( 0.713 -3.295 -4.779) 5.848 4.711 ( -2.847 1.936 -4.376) 5.567 4.805 ( 3.080 1.433 3.099) 4.598 4.885 ( -0.105 6.759 0.931) 6.824 5.147 ( 12.922 2.492 1.532) 13.249 5.240 ( 5.243 5.273 -2.458) 7.832 5.509 ( 7.690 1.763 -5.472) 9.601 6.167 ( -15.136 -10.162 11.782) 21.706 6.813 ( -5.134 -0.374 -1.698) 5.420 7.159 ( 15.596 9.438 -6.369) 19.310 8.086 ( -2.189 2.609 1.955) 3.927 8.674 ( -5.594 -3.797 3.598) 7.659 9.377 ( -6.928 -18.850 -11.248) 23.018 19.864 ( 0.303 0.052 -0.813) 0.869 19.934 ( 2.994 2.198 -0.915) 3.825 19.978 ( -1.369 1.761 0.718) 2.343 20.104 ( 2.418 0.152 0.212) 2.432 24.675 ( -1.226 -0.905 1.793) 2.353 25.054 ( -0.188 -0.152 -0.556) 0.606 32.281 ( -0.231 -0.649 -0.396) 0.795 32.335 ( -0.451 -0.644 -0.614) 0.998 41.970 ( 0.085 -2.139 -4.529) 5.010 42.223 ( 0.662 2.927 4.034) 5.028 42.585 ( -8.080 13.091 16.039) 22.224 44.913 ( 24.292 3.890 -28.643) 37.758======================= Grid point 286 (99/146) =======================q-point: ( 0.64 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.220 ( 1.774 -1.670 13.553) 13.771 2.573 ( -5.407 14.329 6.209) 16.526 2.765 ( 2.532 -3.984 2.242) 5.226 2.894 ( -11.177 -4.744 -5.134) 13.183 3.437 ( 2.349 16.229 -2.686) 16.617 3.592 ( 0.046 0.201 2.795) 2.803 4.022 ( -1.268 7.647 -0.127) 7.753 4.297 ( 0.308 0.693 0.552) 0.937 4.440 ( 9.420 6.518 0.480) 11.465 4.713 ( 5.854 -3.768 -2.640) 7.446 4.859 ( 2.666 -1.009 4.727) 5.520 4.989 ( -0.330 8.843 2.999) 9.343 5.318 ( 5.204 -0.977 -2.064) 5.683 5.416 ( 4.335 11.049 3.606) 12.404 5.584 ( 1.705 -3.815 -4.433) 6.092 5.888 ( -6.447 -9.150 6.769) 13.080 6.697 ( -6.487 -0.319 -4.266) 7.771 7.565 ( 22.415 12.984 -5.723) 26.528 8.091 ( -1.128 2.005 3.056) 3.825 8.549 ( -6.925 -5.387 0.157) 8.775 9.005 ( -8.781 -16.253 -8.324) 20.262 19.862 ( -0.153 0.121 -0.980) 0.999 19.966 ( -0.960 0.946 1.084) 1.730 20.017 ( 3.286 2.105 -0.607) 3.949 20.133 ( 1.036 -0.552 -0.062) 1.175 24.656 ( -1.039 -0.652 1.190) 1.709 25.052 ( 0.173 0.115 -0.287) 0.354 32.274 ( 0.123 -0.385 -0.103) 0.417 32.325 ( 0.175 -0.321 -0.456) 0.584 41.894 ( -4.450 2.325 -7.492) 9.019 42.330 ( 3.897 2.951 7.423) 8.888 42.623 ( -8.464 6.258 17.168) 20.138 45.162 ( 19.514 -1.075 -22.738) 29.983======================= Grid point 287 (100/146) =======================q-point: (-0.27 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( -5.065 -5.325 15.614) 17.257 2.568 ( -9.171 -4.449 -8.127) 13.036 2.602 ( -7.766 8.946 4.841) 12.798 2.876 ( 5.543 -0.205 2.116) 5.937 3.481 ( -12.057 4.835 -1.174) 13.043 3.588 ( 0.112 5.103 -0.337) 5.116 4.018 ( -9.090 7.331 -0.253) 11.681 4.245 ( -1.241 4.649 -5.792) 7.530 4.740 ( 12.860 -4.599 -1.645) 13.756 4.756 ( 6.771 -2.109 7.545) 10.354 4.902 ( -1.578 -4.516 7.596) 8.977 5.046 ( -1.903 5.726 5.506) 8.169 5.305 ( -0.970 -6.212 -1.456) 6.454 5.423 ( -2.164 0.044 -2.376) 3.214 5.637 ( -2.192 10.732 7.108) 13.058 5.861 ( 5.369 -5.415 -3.767) 8.505 6.559 ( -5.962 0.916 -6.400) 8.795 8.019 ( 14.441 5.308 -2.539) 15.594 8.126 ( -1.726 1.135 1.159) 2.368 8.297 ( -5.584 -4.610 -1.633) 7.423 8.787 ( 1.696 -6.535 -6.751) 9.548 19.851 ( -0.599 0.065 -0.959) 1.133 19.967 ( -0.619 1.150 0.996) 1.642 20.081 ( 2.420 0.758 0.078) 2.538 20.126 ( -0.600 -1.273 -0.531) 1.504 24.639 ( -0.896 -0.527 0.921) 1.389 25.058 ( 0.411 0.220 -0.136) 0.485 32.274 ( 0.342 -0.339 0.058) 0.485 32.330 ( 0.794 -0.025 -0.378) 0.879 41.808 ( -4.695 3.881 -7.137) 9.383 42.463 ( 2.062 5.713 7.216) 9.431 42.600 ( -7.188 -1.118 17.077) 18.562 45.334 ( 15.883 -2.390 -19.934) 25.599======================= Grid point 288 (101/146) =======================q-point: (-0.18 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.024 ( -17.686 -9.872 10.423) 22.779 2.448 ( -5.576 1.225 0.147) 5.711 2.577 ( -3.417 4.944 3.484) 6.947 2.980 ( 5.049 -4.025 2.116) 6.795 3.200 ( -16.738 -2.220 -0.659) 16.897 3.661 ( -4.156 9.899 1.151) 10.798 3.843 ( -15.801 5.568 -0.008) 16.754 4.305 ( 3.078 6.501 -4.829) 8.664 4.720 ( -1.779 -6.565 1.002) 6.876 4.802 ( -2.649 -5.048 4.491) 7.257 4.890 ( 2.663 -5.151 3.127) 6.588 5.122 ( -0.873 1.587 1.497) 2.350 5.200 ( -4.670 -10.430 -1.768) 11.564 5.425 ( 0.687 3.914 -1.792) 4.359 5.657 ( -4.749 1.667 3.351) 6.047 5.901 ( 7.613 -4.354 4.362) 9.795 6.501 ( -1.888 7.774 -3.600) 8.772 7.747 ( -19.501 -9.525 -5.913) 22.494 8.141 ( 2.411 0.205 2.331) 3.360 8.498 ( 4.419 4.508 1.065) 6.402 8.923 ( 23.048 3.914 -9.220) 25.131 19.836 ( -0.787 0.478 -0.857) 1.258 19.976 ( -0.389 1.313 0.826) 1.599 20.079 ( -2.306 -1.254 -0.616) 2.696 20.113 ( 1.015 -1.423 0.139) 1.753 24.626 ( -0.693 -0.424 1.051) 1.328 25.067 ( 0.529 0.210 -0.205) 0.605 32.279 ( 0.553 -0.269 -0.030) 0.616 32.346 ( 1.196 0.195 -0.537) 1.326 41.746 ( -3.452 4.626 -5.841) 8.212 42.533 ( -6.006 -4.174 13.756) 15.580 42.574 ( -0.036 3.561 8.311) 9.042 45.450 ( 11.901 -1.034 -21.032) 24.188======================= Grid point 294 (102/146) =======================q-point: ( 0.36 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 0.000 25.044 8.465) 26.436 1.783 ( -0.000 8.215 21.584) 23.095 2.435 ( -0.000 10.043 7.165) 12.337 2.612 ( 0.000 21.430 -0.346) 21.432 2.787 ( -0.000 12.087 12.750) 17.569 3.376 ( 0.000 25.735 6.419) 26.523 3.871 ( -0.000 -2.138 -0.702) 2.250 3.958 ( 0.000 2.410 -1.901) 3.069 4.286 ( 0.000 -3.216 -5.513) 6.382 4.651 ( 0.000 8.515 -3.426) 9.178 4.684 ( -0.000 -10.616 -6.007) 12.198 4.837 ( 0.000 9.534 4.372) 10.489 4.960 ( -0.000 3.125 2.463) 3.979 5.050 ( 0.000 -1.151 -10.402) 10.466 5.251 ( 0.000 7.860 -5.124) 9.383 6.595 ( 0.000 2.831 -7.825) 8.321 6.704 ( -0.000 -6.306 6.522) 9.072 7.071 ( -0.000 1.230 7.343) 7.445 8.178 ( 0.000 1.986 -1.781) 2.668 8.850 ( 0.000 9.246 3.869) 10.022 9.639 ( -0.000 -27.839 -8.340) 29.062 19.812 ( -0.000 -0.722 0.002) 0.722 19.894 ( 0.000 1.685 -1.533) 2.278 19.984 ( -0.000 0.500 0.397) 0.639 20.025 ( 0.000 3.562 0.365) 3.581 24.736 ( -0.000 -2.963 2.571) 3.923 25.078 ( 0.000 -0.939 -0.570) 1.099 32.317 ( -0.000 -2.476 -0.028) 2.476 32.377 ( -0.000 -1.248 -0.609) 1.389 41.755 ( -0.000 -5.351 1.567) 5.575 42.587 ( -0.000 18.709 15.125) 24.058 42.594 ( 0.000 2.274 -2.017) 3.040 43.710 ( 0.000 37.313 -43.259) 57.128======================= Grid point 295 (103/146) =======================q-point: ( 0.45 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 1.947 5.061 18.310) 19.096 2.159 ( 20.197 19.975 6.639) 29.171 2.545 ( -1.720 12.898 3.310) 13.426 2.850 ( 8.077 3.038 4.623) 9.790 3.039 ( 7.947 16.354 5.425) 18.975 3.563 ( -2.055 4.589 5.670) 7.578 3.837 ( -0.895 11.642 -2.813) 12.010 3.965 ( -10.659 13.155 -3.280) 17.246 4.321 ( 6.103 4.142 -1.447) 7.516 4.649 ( 8.903 -7.259 -2.437) 11.743 4.735 ( 1.405 6.304 -4.086) 7.643 4.909 ( -3.803 6.928 5.039) 9.373 4.960 ( -2.006 2.681 -5.701) 6.612 5.036 ( 4.032 2.700 -1.426) 5.058 5.344 ( 4.039 6.231 -4.766) 8.823 6.530 ( -6.399 2.024 0.995) 6.785 6.764 ( 7.356 -0.743 -2.214) 7.718 7.032 ( -5.974 -2.861 4.456) 7.983 8.167 ( -1.924 2.573 -0.711) 3.290 8.890 ( -4.701 -2.433 8.692) 10.177 9.369 ( 4.162 -23.541 -12.238) 26.857 19.819 ( 1.327 -0.171 0.147) 1.346 19.902 ( -0.302 2.330 -1.550) 2.814 20.005 ( 1.443 0.359 0.103) 1.491 20.050 ( -0.974 3.110 0.428) 3.287 24.715 ( -0.867 -1.969 2.132) 3.028 25.064 ( -0.276 -0.660 -0.642) 0.962 32.292 ( -0.322 -1.559 -0.302) 1.620 32.357 ( -0.569 -1.120 -0.562) 1.376 41.768 ( 5.880 -5.160 2.543) 8.227 42.481 ( -11.083 5.474 -4.082) 13.018 42.831 ( -3.926 18.753 17.625) 26.033 44.026 ( 22.238 20.040 -37.238) 47.778======================= Grid point 296 (104/146) =======================q-point: ( 0.55 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.125 ( 2.786 2.066 13.842) 14.270 2.598 ( 6.720 3.841 2.460) 8.122 2.732 ( 4.674 19.996 7.804) 21.968 2.997 ( 5.121 1.151 1.690) 5.514 3.256 ( 3.780 5.459 1.020) 6.718 3.641 ( 3.164 4.178 1.153) 5.366 3.910 ( -0.598 13.601 -0.645) 13.630 4.008 ( 4.497 10.617 -2.036) 11.708 4.397 ( -2.499 4.129 -4.590) 6.660 4.763 ( 6.798 -2.584 2.254) 7.614 4.794 ( 4.363 1.986 -2.168) 5.262 4.892 ( -3.099 5.507 0.052) 6.319 5.022 ( 1.636 8.523 2.413) 9.008 5.175 ( 8.689 6.905 -3.792) 11.729 5.437 ( 2.900 4.583 -3.170) 6.282 6.375 ( -13.589 -9.256 10.748) 19.643 6.825 ( 1.051 -2.055 -7.789) 8.123 7.024 ( 7.135 8.306 -1.252) 11.021 8.164 ( -1.987 2.441 1.463) 3.471 8.765 ( -7.525 -6.159 6.250) 11.560 9.155 ( 1.419 -21.250 -10.702) 23.835 19.846 ( 1.495 -0.101 0.041) 1.499 19.922 ( 0.754 3.151 -1.300) 3.491 20.022 ( -0.561 0.987 0.124) 1.142 20.072 ( 1.076 1.178 0.401) 1.645 24.693 ( -1.015 -1.248 1.514) 2.209 25.053 ( -0.176 -0.231 -0.534) 0.608 32.275 ( -0.201 -0.696 -0.314) 0.790 32.334 ( -0.575 -0.869 -0.479) 1.147 41.855 ( 7.350 -4.249 2.587) 8.875 42.358 ( -7.894 8.455 -4.654) 12.468 42.977 ( -9.568 15.206 18.934) 26.101 44.379 ( 24.072 5.708 -29.165) 38.244======================= Grid point 297 (105/146) =======================q-point: ( 0.64 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( 2.152 -0.138 9.875) 10.108 2.700 ( 2.666 0.714 3.020) 4.092 2.827 ( -7.298 4.159 0.757) 8.434 3.027 ( -5.321 2.218 0.817) 5.822 3.493 ( 7.734 13.283 7.031) 16.903 3.678 ( -0.935 11.252 -4.950) 12.328 4.063 ( -0.923 0.033 -1.720) 1.953 4.192 ( 11.200 5.207 2.526) 12.607 4.429 ( 6.116 6.944 -5.145) 10.588 4.717 ( -10.020 3.832 -2.951) 11.126 4.840 ( 0.939 3.022 3.638) 4.822 5.051 ( 8.979 2.071 2.574) 9.568 5.168 ( 6.707 3.710 1.526) 7.815 5.392 ( 10.770 5.008 -4.150) 12.581 5.496 ( 0.376 5.394 -0.724) 5.456 6.037 ( -15.875 -13.642 9.740) 23.086 6.752 ( -2.883 -2.521 -4.956) 6.263 7.338 ( 16.176 14.655 -4.704) 22.329 8.155 ( -2.266 1.246 2.771) 3.791 8.613 ( -6.796 -5.442 1.728) 8.876 8.884 ( -3.200 -20.069 -7.262) 21.581 19.859 ( 0.282 -0.062 -0.385) 0.481 19.973 ( 1.874 2.372 -0.365) 3.045 20.018 ( -0.923 1.632 0.214) 1.887 20.103 ( 1.627 -0.217 0.062) 1.643 24.672 ( -0.974 -0.872 0.954) 1.619 25.049 ( 0.086 0.090 -0.295) 0.321 32.268 ( 0.010 -0.374 -0.108) 0.389 32.318 ( -0.137 -0.565 -0.356) 0.682 41.920 ( 1.749 -0.090 -1.595) 2.369 42.357 ( -0.228 7.890 0.319) 7.900 42.992 ( -13.589 9.249 17.897) 24.300 44.657 ( 22.445 -2.039 -22.156) 31.604======================= Grid point 298 (106/146) =======================q-point: (-0.27 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( 1.385 -1.463 9.593) 9.803 2.597 ( -7.979 -8.657 -6.398) 13.399 2.824 ( 1.467 4.936 0.275) 5.156 2.932 ( -11.107 6.155 6.971) 14.486 3.603 ( -7.079 -2.225 5.164) 9.040 3.806 ( -2.460 22.137 -2.346) 22.397 4.108 ( 6.049 5.355 0.008) 8.079 4.375 ( 6.135 0.605 -3.297) 6.991 4.490 ( -5.566 4.165 -7.290) 10.073 4.660 ( 4.989 0.458 4.016) 6.421 4.914 ( 1.062 1.384 5.373) 5.649 5.150 ( -1.310 1.472 4.730) 5.124 5.257 ( 0.410 -3.619 -0.081) 3.643 5.418 ( -0.471 -3.468 -2.647) 4.388 5.640 ( 9.011 -8.256 -3.081) 12.603 5.864 ( -4.091 13.958 8.506) 16.850 6.623 ( -5.155 -3.082 -5.635) 8.235 7.759 ( 19.777 11.265 -3.998) 23.109 8.157 ( -0.037 1.238 2.203) 2.527 8.379 ( -11.457 -10.998 -1.523) 15.954 8.671 ( -0.302 -9.278 -3.945) 10.086 19.855 ( -0.258 0.026 -0.565) 0.622 19.995 ( -0.505 0.827 0.769) 1.237 20.051 ( 1.865 1.825 -0.233) 2.620 20.115 ( 0.361 -0.888 -0.292) 1.003 24.653 ( -0.856 -0.669 0.681) 1.282 25.053 ( 0.291 0.197 -0.139) 0.378 32.266 ( 0.195 -0.414 0.061) 0.461 32.316 ( 0.481 -0.276 -0.285) 0.624 41.902 ( -3.763 4.855 -5.436) 8.202 42.478 ( 4.296 4.096 6.010) 8.447 42.893 ( -14.629 3.200 14.986) 21.185 44.885 ( 20.325 -3.709 -17.994) 27.398======================= Grid point 299 (107/146) =======================q-point: (-0.18 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.240 ( -13.194 -9.651 7.201) 17.863 2.426 ( 2.292 0.101 -3.969) 4.584 2.856 ( -10.125 6.469 8.660) 14.811 2.897 ( 1.908 3.070 -0.332) 3.630 3.387 ( -12.129 -8.964 4.934) 15.868 3.948 ( -6.379 20.570 1.923) 21.622 4.178 ( -14.113 9.825 -3.879) 17.628 4.306 ( -1.006 4.918 -4.783) 6.934 4.566 ( 13.131 -5.179 -5.741) 15.239 4.785 ( 4.694 -1.163 3.621) 6.041 4.830 ( -7.465 -7.627 5.406) 11.964 5.146 ( -2.413 -1.610 3.593) 4.618 5.227 ( -1.051 -2.060 1.550) 2.784 5.373 ( 2.540 -4.403 -0.985) 5.178 5.640 ( 4.487 -5.205 -3.561) 7.740 5.953 ( -9.118 5.017 5.551) 11.795 6.561 ( 1.867 5.705 -3.167) 6.787 7.944 ( -15.694 -6.961 -5.854) 18.139 8.075 ( 6.545 -0.271 0.406) 6.563 8.406 ( 16.219 9.421 0.559) 18.765 8.616 ( 4.795 -5.402 -3.486) 8.020 19.848 ( -0.407 0.411 -0.491) 0.759 20.002 ( -0.260 1.319 0.699) 1.515 20.080 ( 0.454 -1.193 -0.373) 1.330 20.098 ( -0.784 -0.322 -0.257) 0.886 24.638 ( -0.653 -0.533 0.771) 1.142 25.060 ( 0.393 0.148 -0.181) 0.457 32.267 ( 0.409 -0.430 0.055) 0.596 32.325 ( 0.995 -0.042 -0.389) 1.069 41.853 ( -5.148 7.032 -5.747) 10.440 42.594 ( 2.139 -3.647 11.940) 12.666 42.738 ( -11.550 0.717 7.969) 14.051 45.093 ( 16.896 -0.039 -17.449) 24.289======================= Grid point 306 (108/146) =======================q-point: ( 0.45 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.093 ( -0.000 4.818 14.747) 15.514 2.195 ( 0.000 19.692 3.220) 19.954 2.705 ( -0.000 9.177 8.629) 12.596 2.769 ( 0.000 2.441 1.250) 2.743 3.185 ( 0.000 11.128 1.139) 11.186 3.691 ( -0.000 8.725 8.960) 12.506 3.840 ( 0.000 2.625 -5.475) 6.071 4.170 ( -0.000 -6.783 0.586) 6.808 4.327 ( 0.000 17.501 -10.382) 20.349 4.565 ( 0.000 11.939 3.069) 12.327 4.800 ( 0.000 10.098 -3.484) 10.682 4.875 ( 0.000 -3.312 -8.123) 8.772 5.063 ( 0.000 4.929 2.792) 5.665 5.067 ( -0.000 6.824 5.961) 9.061 5.350 ( 0.000 7.821 -5.665) 9.657 6.635 ( -0.000 -7.296 6.061) 9.485 6.674 ( 0.000 13.115 -9.947) 16.460 7.044 ( -0.000 -10.510 4.827) 11.565 8.187 ( 0.000 0.997 -2.128) 2.350 8.931 ( -0.000 -12.624 11.560) 17.118 9.070 ( 0.000 -13.668 -10.872) 17.465 19.808 ( -0.000 0.011 0.575) 0.575 19.923 ( 0.000 3.071 -1.583) 3.455 19.992 ( -0.000 0.021 0.076) 0.079 20.093 ( 0.000 2.897 0.016) 2.897 24.713 ( -0.000 -1.789 1.582) 2.388 25.057 ( 0.000 -0.525 -0.590) 0.790 32.281 ( -0.000 -0.976 -0.252) 1.008 32.348 ( -0.000 -1.096 -0.469) 1.192 41.686 ( -0.000 -3.937 2.843) 4.856 42.594 ( 0.000 0.595 -3.277) 3.331 43.116 ( -0.000 15.687 14.834) 21.590 43.884 ( 0.000 23.577 -30.052) 38.196======================= Grid point 307 (109/146) =======================q-point: ( 0.55 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( -0.216 3.038 10.862) 11.281 2.513 ( 12.438 11.121 2.245) 16.835 2.773 ( 3.328 6.665 2.893) 7.992 2.998 ( 8.894 6.080 5.536) 12.112 3.178 ( 0.734 -2.197 -2.080) 3.113 3.754 ( -5.951 10.200 -1.272) 11.877 3.958 ( 5.793 5.360 2.241) 8.204 4.087 ( -1.538 5.361 1.767) 5.850 4.459 ( 7.387 3.356 -5.944) 10.058 4.559 ( -7.852 -0.852 -6.123) 9.994 4.862 ( -0.828 11.654 0.448) 11.692 5.030 ( 11.324 9.570 -4.455) 15.481 5.101 ( -5.902 7.517 3.856) 10.306 5.136 ( -0.432 7.313 4.437) 8.565 5.429 ( 2.951 7.168 -4.196) 8.814 6.515 ( -9.008 -12.807 7.371) 17.307 6.719 ( 2.342 -2.849 -9.984) 10.644 7.024 ( 3.176 8.671 2.094) 9.469 8.191 ( 0.517 0.626 -1.016) 1.300 8.796 ( -0.729 -14.869 3.522) 15.298 8.934 ( -2.989 -10.974 -1.528) 11.476 19.823 ( 1.161 0.170 0.621) 1.327 19.947 ( -0.178 3.734 -1.268) 3.947 20.004 ( 1.414 -0.316 -0.167) 1.459 20.105 ( -1.254 2.025 0.116) 2.384 24.699 ( -0.505 -1.393 0.976) 1.774 25.050 ( -0.074 -0.179 -0.443) 0.483 32.272 ( -0.156 -0.301 -0.177) 0.382 32.332 ( -0.430 -0.842 -0.364) 1.013 41.717 ( 5.554 -3.368 3.620) 7.436 42.525 ( -5.719 4.126 -5.290) 8.816 43.282 ( -1.118 8.111 7.504) 11.106 44.068 ( 8.258 17.535 -15.123) 24.584======================= Grid point 308 (110/146) =======================q-point: ( 0.64 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.258 ( 0.397 1.087 7.649) 7.736 2.702 ( 1.891 3.238 3.426) 5.079 2.868 ( -1.317 -8.498 -4.864) 9.880 3.063 ( 5.365 5.337 2.469) 7.960 3.477 ( 16.752 11.464 4.403) 20.771 3.742 ( -0.087 10.510 -5.485) 11.856 4.097 ( 5.033 4.676 0.131) 6.871 4.142 ( -7.133 -1.749 2.960) 7.919 4.417 ( -0.104 10.355 -6.058) 11.998 4.644 ( 13.662 -5.769 1.154) 14.875 4.913 ( -0.296 4.606 -0.863) 4.696 5.073 ( -9.469 11.141 1.596) 14.708 5.234 ( -0.033 6.295 4.187) 7.561 5.265 ( 7.792 6.446 -3.372) 10.660 5.537 ( 2.199 8.700 -2.743) 9.383 6.168 ( -11.978 -18.403 4.080) 22.333 6.688 ( 2.169 -5.799 -3.412) 7.069 7.282 ( 8.103 19.515 -1.226) 21.166 8.194 ( -0.481 -0.573 0.780) 1.080 8.679 ( -0.915 -8.905 0.663) 8.976 8.707 ( -7.297 -15.641 -0.079) 17.259 19.846 ( 0.937 -0.112 0.349) 1.006 19.980 ( 0.377 3.605 -0.828) 3.718 20.024 ( 1.297 -0.281 -0.103) 1.331 20.100 ( -0.866 1.035 0.231) 1.369 24.680 ( -0.691 -1.060 0.457) 1.345 25.048 ( 0.036 0.121 -0.222) 0.255 32.267 ( -0.212 -0.065 -0.065) 0.231 32.316 ( -0.417 -0.504 -0.218) 0.690 41.823 ( 7.377 -2.367 3.461) 8.485 42.476 ( -3.830 8.786 -5.792) 11.199 43.305 ( -4.985 0.605 5.547) 7.482 44.297 ( 9.479 9.747 -7.210) 15.390======================= Grid point 309 (111/146) =======================q-point: ( 0.73 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.310 ( 1.190 0.130 6.104) 6.221 2.604 ( -6.876 -9.320 -4.796) 12.536 2.846 ( 2.175 3.264 0.790) 4.001 3.106 ( -2.644 -0.848 1.243) 3.042 3.837 ( -5.529 13.377 8.976) 17.031 3.925 ( 5.880 -8.307 -3.277) 10.692 3.952 ( 7.769 16.063 -3.581) 18.199 4.199 ( 4.106 0.183 -4.044) 5.765 4.559 ( 4.241 5.429 0.504) 6.908 4.748 ( 0.027 0.262 0.939) 0.975 5.016 ( -0.645 6.255 0.169) 6.290 5.063 ( 5.182 5.909 0.973) 7.919 5.253 ( -2.208 -2.531 0.748) 3.441 5.369 ( 1.791 1.409 -1.019) 2.496 5.496 ( -5.687 -11.226 -0.670) 12.602 6.057 ( 3.122 12.936 3.128) 13.670 6.598 ( -2.954 -9.799 -2.630) 10.567 7.614 ( 10.540 16.214 -1.546) 19.400 8.173 ( -0.864 -1.657 1.762) 2.568 8.421 ( -8.016 -14.081 -1.144) 16.243 8.595 ( -1.146 -4.698 -0.319) 4.847 19.854 ( 0.151 -0.166 -0.014) 0.225 20.003 ( -0.008 0.608 -0.090) 0.615 20.052 ( 1.119 1.991 -0.039) 2.285 20.101 ( 0.175 -0.063 0.020) 0.187 24.661 ( -0.674 -0.829 0.203) 1.088 25.051 ( 0.159 0.226 -0.067) 0.284 32.262 ( -0.145 -0.199 0.010) 0.246 32.308 ( -0.033 -0.180 -0.100) 0.209 41.924 ( 3.646 0.936 0.526) 3.801 42.505 ( -0.163 7.217 -1.740) 7.426 43.187 ( -9.779 -4.615 5.686) 12.217 44.518 ( 12.192 5.945 -5.616) 14.681======================= Grid point 310 (112/146) =======================q-point: (-0.18 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.341 ( -7.624 -11.026 4.380) 14.102 2.380 ( 1.462 1.760 -3.828) 4.460 2.908 ( -0.074 3.122 1.431) 3.435 3.056 ( -3.018 0.807 1.713) 3.563 3.586 ( -15.491 -5.692 6.006) 17.563 4.158 ( 0.810 7.378 2.360) 7.789 4.203 ( 7.949 -0.251 -9.979) 12.761 4.268 ( 12.549 9.236 1.748) 15.679 4.541 ( -11.663 1.617 -3.719) 12.347 4.765 ( 0.375 4.406 2.287) 4.979 4.985 ( -10.772 -1.307 4.404) 11.711 5.137 ( 2.962 -8.940 -0.953) 9.466 5.188 ( 0.667 2.340 2.915) 3.797 5.334 ( -3.025 -3.972 -0.997) 5.091 5.461 ( 9.625 -0.219 -3.291) 10.175 6.225 ( -13.196 3.377 5.761) 14.789 6.481 ( 9.689 1.037 -4.408) 10.695 7.906 ( 10.023 6.749 -1.613) 12.190 8.116 ( -9.470 -2.479 -3.615) 10.436 8.249 ( 5.846 -2.638 2.559) 6.906 8.552 ( 0.178 -1.590 -0.418) 1.654 19.853 ( -0.063 0.191 -0.148) 0.250 20.005 ( 0.311 -0.285 0.203) 0.468 20.081 ( -0.196 1.264 0.105) 1.284 20.100 ( 0.075 -0.346 -0.319) 0.477 24.644 ( -0.516 -0.667 0.283) 0.890 25.056 ( 0.211 0.168 -0.073) 0.279 32.259 ( 0.086 -0.288 0.042) 0.304 32.311 ( 0.472 0.073 -0.145) 0.499 41.963 ( -1.911 5.541 -2.989) 6.580 42.565 ( 2.237 -1.674 5.049) 5.771 42.959 ( -12.328 -8.243 4.428) 15.477 44.781 ( 14.493 8.845 -7.648) 18.622======================= Grid point 318 (113/146) =======================q-point: ( 0.55 0.55 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.283 ( -0.000 3.134 8.656) 9.206 2.495 ( 0.000 9.625 -1.111) 9.689 2.824 ( -0.000 1.668 1.307) 2.119 2.965 ( -0.000 9.195 7.827) 12.076 3.116 ( 0.000 -9.858 -6.375) 11.740 3.862 ( 0.000 5.760 -9.696) 11.278 4.026 ( -0.000 -11.065 8.163) 13.750 4.038 ( 0.000 10.247 3.996) 10.999 4.459 ( 0.000 11.429 0.221) 11.431 4.680 ( 0.000 5.877 -10.227) 11.795 4.954 ( 0.000 8.536 -3.494) 9.223 4.992 ( 0.000 10.884 -2.858) 11.253 5.195 ( 0.000 5.160 2.433) 5.705 5.293 ( -0.000 8.952 9.214) 12.847 5.451 ( 0.000 8.810 -5.533) 10.404 6.492 ( -0.000 -23.706 -9.531) 25.550 6.544 ( -0.000 -8.193 5.977) 10.141 7.163 ( 0.000 22.605 2.402) 22.732 8.175 ( 0.000 0.311 -2.508) 2.527 8.655 ( -0.000 -12.171 -0.154) 12.172 8.895 ( -0.000 -12.017 6.693) 13.755 19.820 ( -0.000 0.349 0.836) 0.906 19.982 ( 0.000 4.225 -1.035) 4.350 19.986 ( 0.000 -0.421 -0.323) 0.531 20.132 ( 0.000 1.040 0.035) 1.041 24.693 ( -0.000 -1.311 0.367) 1.362 25.048 ( 0.000 0.021 -0.280) 0.281 32.272 ( 0.000 0.131 -0.064) 0.145 32.327 ( -0.000 -0.596 -0.228) 0.638 41.658 ( -0.000 -2.613 3.957) 4.742 42.560 ( 0.000 0.140 -4.355) 4.357 43.285 ( 0.000 2.378 -15.378) 15.561 44.235 ( 0.000 22.055 10.499) 24.426======================= Grid point 319 (114/146) =======================q-point: ( 0.64 0.55 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( -1.904 2.374 6.294) 6.991 2.653 ( 9.109 2.343 -0.555) 9.422 2.803 ( -3.799 -4.189 -1.471) 5.843 2.986 ( 2.863 -5.255 -5.756) 8.303 3.272 ( 18.724 10.596 4.503) 21.980 3.788 ( -3.021 -1.668 -7.457) 8.217 4.024 ( 3.706 0.736 2.464) 4.511 4.208 ( 10.234 -2.000 1.718) 10.568 4.459 ( -11.033 1.374 5.154) 12.255 4.677 ( -5.435 18.413 -5.259) 19.906 4.996 ( -2.720 5.879 -3.636) 7.428 5.139 ( 7.966 5.694 -5.645) 11.303 5.243 ( -1.504 4.366 2.456) 5.231 5.384 ( -2.821 4.838 7.056) 9.009 5.566 ( 4.751 12.889 -4.749) 14.535 6.111 ( -7.517 -24.411 -4.873) 26.003 6.552 ( 4.956 -8.422 3.347) 10.329 7.436 ( 1.314 26.693 2.058) 26.805 8.177 ( 1.023 -0.290 -1.781) 2.074 8.539 ( -0.275 -13.694 0.323) 13.700 8.758 ( -5.764 -10.402 6.315) 13.465 19.834 ( 0.711 0.085 0.735) 1.026 19.992 ( 1.304 -0.476 -0.499) 1.475 20.016 ( -0.299 4.147 -0.615) 4.203 20.128 ( -1.058 0.115 0.244) 1.092 24.679 ( -0.313 -1.125 -0.133) 1.175 25.048 ( 0.013 0.230 -0.088) 0.246 32.272 ( -0.269 0.214 -0.019) 0.344 32.319 ( -0.367 -0.215 -0.042) 0.427 41.704 ( 5.481 -2.259 4.453) 7.415 42.544 ( 0.084 3.663 -5.580) 6.676 43.218 ( 2.869 -4.369 -17.903) 18.651 44.475 ( -4.374 18.175 17.434) 25.562======================= Grid point 320 (115/146) =======================q-point: (-0.27 -0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.345 ( -1.107 1.448 5.239) 5.547 2.586 ( -5.585 -12.060 -6.442) 14.770 2.816 ( 4.985 3.375 1.715) 6.260 3.027 ( 6.801 -4.287 -4.874) 9.402 3.681 ( 5.288 -3.767 -4.281) 7.777 3.803 ( 19.896 7.610 -2.613) 21.461 4.116 ( 3.096 6.179 -0.894) 6.969 4.288 ( -13.056 8.463 7.954) 17.474 4.395 ( 13.375 -9.681 4.630) 17.148 4.720 ( -2.149 8.005 -3.350) 8.940 4.987 ( -1.352 4.094 -4.196) 6.016 5.212 ( -0.518 0.810 -3.092) 3.238 5.258 ( -1.452 0.021 -0.139) 1.459 5.377 ( -1.395 -0.624 2.359) 2.810 5.599 ( -12.799 -2.492 2.302) 13.241 5.984 ( 13.300 5.429 -6.836) 15.909 6.545 ( 0.289 -7.673 4.122) 8.715 7.712 ( 0.950 22.452 2.047) 22.565 8.169 ( -0.415 -3.071 0.926) 3.234 8.364 ( -2.718 -14.005 0.095) 14.267 8.620 ( -4.776 -3.420 2.678) 6.456 19.847 ( 0.518 -0.201 0.451) 0.716 20.006 ( 0.638 -0.004 -0.635) 0.900 20.050 ( 0.568 2.636 -0.081) 2.698 20.110 ( -0.835 -0.386 0.394) 1.000 24.661 ( -0.408 -0.936 -0.369) 1.086 25.052 ( 0.049 0.314 0.050) 0.322 32.267 ( -0.444 0.019 -0.051) 0.447 32.312 ( -0.413 0.168 0.135) 0.466 41.826 ( 7.845 -1.490 4.398) 9.116 42.574 ( -0.405 7.248 -6.255) 9.583 43.110 ( 3.116 -12.020 -12.815) 17.844 44.624 ( -5.897 15.297 15.392) 22.487======================= Grid point 330 (116/146) =======================q-point: (-0.36 -0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.405 ( -0.000 1.604 6.651) 6.841 2.562 ( 0.000 0.588 -3.572) 3.620 2.748 ( 0.000 -13.441 -9.553) 16.490 2.906 ( 0.000 2.772 -2.783) 3.928 3.204 ( -0.000 7.354 4.891) 8.832 3.729 ( -0.000 -9.865 -3.140) 10.353 4.042 ( -0.000 3.198 5.732) 6.564 4.049 ( 0.000 -3.967 -6.533) 7.644 4.672 ( -0.000 6.637 9.459) 11.555 4.869 ( 0.000 10.537 -4.777) 11.569 5.030 ( 0.000 3.155 -4.714) 5.672 5.118 ( 0.000 12.980 -11.126) 17.096 5.297 ( -0.000 2.550 2.913) 3.871 5.451 ( -0.000 -5.325 4.074) 6.704 5.576 ( 0.000 8.640 -5.440) 10.210 5.946 ( -0.000 -15.992 -2.610) 16.204 6.448 ( -0.000 -7.616 6.475) 9.996 7.724 ( 0.000 28.516 3.683) 28.753 8.156 ( 0.000 0.642 -2.800) 2.873 8.404 ( -0.000 -17.138 2.713) 17.351 8.749 ( -0.000 -7.293 6.390) 9.696 19.832 ( -0.000 -0.111 0.813) 0.820 19.973 ( 0.000 -0.276 -0.648) 0.704 20.057 ( 0.000 3.876 -0.397) 3.896 20.134 ( -0.000 -0.918 0.392) 0.998 24.668 ( 0.000 -1.067 -0.619) 1.233 25.051 ( 0.000 0.361 0.055) 0.365 32.277 ( 0.000 0.246 -0.007) 0.247 32.323 ( -0.000 0.186 0.174) 0.255 41.659 ( -0.000 -1.894 4.691) 5.059 42.522 ( 0.000 1.127 -5.056) 5.180 43.056 ( 0.000 -3.404 -23.038) 23.288 44.800 ( -0.000 15.696 24.254) 28.890======================= Grid point 331 (117/146) =======================q-point: (-0.27 -0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.417 ( -2.159 -0.692 7.120) 7.472 2.479 ( -2.709 -12.917 -10.597) 16.926 2.690 ( 11.284 -3.075 -5.208) 12.803 2.920 ( -1.361 3.478 -3.451) 5.085 3.462 ( 19.553 -1.695 1.093) 19.657 3.605 ( -0.831 -3.337 -2.395) 4.191 4.036 ( 7.781 -5.659 -2.565) 9.957 4.160 ( 5.864 2.294 4.996) 8.038 4.659 ( -11.830 7.292 7.954) 16.011 4.850 ( -5.523 4.442 -4.517) 8.404 5.028 ( -3.916 -2.606 -7.724) 9.043 5.146 ( 2.474 2.016 -7.275) 7.944 5.292 ( -3.035 -2.274 0.260) 3.801 5.386 ( 0.569 -1.853 2.185) 2.921 5.744 ( 8.818 -1.473 -6.017) 10.777 5.806 ( -4.766 5.756 2.644) 7.927 6.463 ( 4.606 -4.597 5.901) 8.784 7.963 ( -1.889 15.290 4.684) 16.103 8.136 ( -1.535 -6.185 0.135) 6.374 8.279 ( 1.202 -2.608 0.441) 2.906 8.694 ( -4.512 -1.783 5.139) 7.067 19.838 ( 0.532 -0.402 0.717) 0.979 19.980 ( 1.279 -0.025 -0.745) 1.481 20.083 ( -0.683 2.782 -0.249) 2.876 20.117 ( -0.781 -1.584 0.660) 1.885 24.653 ( -0.157 -0.950 -0.853) 1.287 25.056 ( -0.010 0.433 0.154) 0.459 32.275 ( -0.429 0.134 -0.042) 0.451 32.324 ( -0.379 0.561 0.357) 0.765 41.715 ( 5.538 -1.630 5.104) 7.705 42.558 ( 4.587 3.401 -5.278) 7.776 42.890 ( -0.505 -7.585 -20.763) 22.111 44.999 ( -7.145 13.277 23.590) 27.996======================= Grid point 342 (118/146) =======================q-point: (-0.27 -0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.280 ( -0.000 -20.672 -8.235) 22.252 2.473 ( 0.000 -5.111 -4.663) 6.919 2.514 ( 0.000 4.011 -1.496) 4.281 2.991 ( 0.000 7.101 -2.249) 7.448 3.233 ( -0.000 -11.507 3.346) 11.983 3.590 ( 0.000 0.555 -0.580) 0.803 3.849 ( -0.000 -11.058 -3.774) 11.684 4.185 ( -0.000 5.382 5.195) 7.480 4.825 ( -0.000 -3.171 1.344) 3.444 4.895 ( 0.000 -2.023 -2.180) 2.974 4.995 ( 0.000 -0.959 -5.046) 5.136 5.093 ( 0.000 -0.437 -7.502) 7.515 5.338 ( -0.000 -1.947 2.714) 3.340 5.346 ( 0.000 0.204 -1.405) 1.420 5.632 ( 0.000 2.037 -5.076) 5.470 5.927 ( 0.000 6.426 0.350) 6.436 6.404 ( -0.000 -3.150 6.549) 7.267 7.927 ( -0.000 -21.526 6.346) 22.442 8.148 ( 0.000 1.519 -2.943) 3.312 8.368 ( 0.000 17.023 0.935) 17.049 8.795 ( -0.000 8.141 8.142) 11.514 19.831 ( -0.000 -0.720 0.830) 1.099 19.966 ( 0.000 0.231 -0.811) 0.843 20.098 ( -0.000 -1.270 0.193) 1.285 20.122 ( 0.000 0.744 0.320) 0.809 24.640 ( 0.000 -0.892 -1.107) 1.422 25.061 ( 0.000 0.530 0.206) 0.568 32.281 ( 0.000 0.212 0.008) 0.212 32.337 ( -0.000 0.879 0.512) 1.017 41.678 ( -0.000 -1.182 5.225) 5.357 42.504 ( 0.000 2.423 -5.572) 6.077 42.739 ( 0.000 -5.999 -20.262) 21.132 45.301 ( -0.000 10.203 24.788) 26.806======================= Grid point 403 (119/146) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( -0.000 0.000 22.114) 22.114 1.030 ( -0.000 0.000 22.114) 22.114 1.932 ( -0.000 0.000 39.778) 39.778 2.083 ( 0.000 0.000 1.145) 1.145 2.083 ( 0.000 -0.000 1.145) 1.145 3.125 ( -0.000 0.000 0.723) 0.723 3.972 ( -0.000 0.000 2.808) 2.808 4.467 ( 0.000 -0.000 -3.668) 3.668 4.467 ( 0.000 -0.000 -3.668) 3.668 4.486 ( 0.000 -0.000 -2.606) 2.606 4.531 ( 0.000 -0.000 -22.243) 22.243 4.785 ( 0.000 -0.000 -7.675) 7.675 4.785 ( 0.000 -0.000 -7.675) 7.675 5.086 ( 0.000 0.000 0.452) 0.452 5.086 ( -0.000 -0.000 0.452) 0.452 6.863 ( -0.000 0.000 7.234) 7.234 6.863 ( -0.000 0.000 7.234) 7.234 6.982 ( -0.000 0.000 1.595) 1.595 8.096 ( 0.000 -0.000 -2.218) 2.218 8.096 ( 0.000 -0.000 -2.218) 2.218 10.365 ( -0.000 0.000 0.580) 0.580 19.855 ( 0.000 -0.000 -0.811) 0.811 19.855 ( 0.000 -0.000 -0.811) 0.811 19.957 ( -0.000 0.000 0.787) 0.787 19.957 ( -0.000 0.000 0.787) 0.787 24.851 ( 0.000 -0.000 -0.373) 0.373 25.114 ( 0.000 -0.000 -0.090) 0.090 32.390 ( -0.000 0.000 0.373) 0.373 32.438 ( 0.000 -0.000 -0.288) 0.288 41.975 ( 0.000 0.000 1.624) 1.624 41.975 ( 0.000 -0.000 1.624) 1.624 42.440 ( 0.000 0.000 -2.091) 2.091 42.440 ( 0.000 -0.000 -2.091) 2.091======================= Grid point 404 (120/146) =======================q-point: ( 0.36 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( 23.669 13.665 15.947) 31.642 1.488 ( 21.687 12.521 19.974) 32.033 2.058 ( 2.481 1.433 -3.134) 4.247 2.267 ( 15.636 9.027 28.853) 34.037 2.402 ( 20.082 11.594 7.146) 24.265 3.085 ( -3.597 -2.077 1.108) 4.299 3.922 ( -5.335 -3.080 1.333) 6.303 4.098 ( -17.839 -10.299 -11.277) 23.484 4.441 ( 3.030 1.749 -4.242) 5.498 4.495 ( 2.368 1.367 -3.055) 4.099 4.555 ( 2.851 1.646 0.517) 3.333 4.749 ( 5.117 2.954 -9.448) 11.143 4.993 ( 2.915 1.683 -4.989) 6.019 5.081 ( 0.066 0.038 1.306) 1.309 5.125 ( 8.546 4.934 -7.340) 12.299 6.687 ( -15.834 -9.141 1.528) 18.347 6.875 ( -0.162 -0.094 6.407) 6.410 6.927 ( -0.081 -0.047 5.694) 5.695 8.056 ( -0.736 -0.425 -1.637) 1.845 8.519 ( 22.767 13.144 -2.842) 26.442 10.203 ( -11.939 -6.893 -3.242) 14.162 19.834 ( -0.464 -0.268 -0.453) 0.702 19.865 ( 0.366 0.211 -1.090) 1.169 19.955 ( -0.059 -0.034 1.019) 1.021 19.984 ( 1.665 0.961 0.482) 1.982 24.805 ( -3.317 -1.915 1.379) 4.071 25.099 ( -1.022 -0.590 -0.169) 1.192 32.375 ( -1.765 -1.019 0.564) 2.114 32.404 ( -1.870 -1.080 -0.478) 2.212 42.015 ( 4.713 2.721 4.551) 7.094 42.073 ( 3.061 1.767 0.376) 3.554 42.316 ( -4.891 -2.824 -0.747) 5.697 43.090 ( 46.937 27.099 -22.458) 58.666======================= Grid point 405 (121/146) =======================q-point: ( 0.45 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.931 ( 11.148 6.437 19.416) 23.296 2.015 ( 11.298 6.523 12.019) 17.738 2.252 ( 20.396 11.776 0.292) 23.553 2.843 ( 9.179 5.299 8.232) 13.420 2.926 ( 25.345 14.633 0.845) 29.278 3.097 ( 13.968 8.065 10.250) 19.111 3.729 ( -10.718 -6.188 -3.343) 12.820 3.772 ( -7.010 -4.047 -1.819) 8.296 4.531 ( 1.358 0.784 -4.626) 4.884 4.535 ( 6.146 3.549 -2.729) 7.604 4.613 ( 3.458 1.997 -1.030) 4.124 4.890 ( 8.385 4.841 -1.633) 9.819 4.915 ( -4.376 -2.526 -3.379) 6.078 5.107 ( 2.125 1.227 0.332) 2.476 5.297 ( 7.599 4.387 -7.589) 11.601 6.448 ( -5.719 -3.302 -0.062) 6.604 6.914 ( -2.818 -1.627 2.588) 4.157 6.921 ( 1.356 0.783 5.312) 5.538 8.048 ( 0.231 0.134 0.058) 0.273 8.822 ( 3.222 1.860 4.242) 5.642 9.881 ( -11.842 -6.837 -12.094) 18.255 19.840 ( 1.335 0.771 -0.482) 1.615 19.863 ( 0.012 0.007 -1.235) 1.235 19.962 ( 0.073 0.042 1.137) 1.140 20.034 ( 2.481 1.433 0.274) 2.878 24.744 ( -2.705 -1.562 2.251) 3.850 25.075 ( -0.937 -0.541 -0.479) 1.183 32.326 ( -2.097 -1.211 -0.161) 2.427 32.370 ( -1.158 -0.668 -0.459) 1.413 42.072 ( -2.088 -1.206 -7.013) 7.416 42.200 ( 7.641 4.411 10.926) 14.044 42.261 ( -0.795 -0.459 6.834) 6.895 43.962 ( 40.517 23.392 -33.817) 57.727======================= Grid point 406 (122/146) =======================q-point: ( 0.55 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.188 ( 4.258 2.459 16.991) 17.688 2.224 ( 7.150 4.128 4.022) 9.184 2.801 ( 22.053 12.732 5.318) 26.014 2.829 ( -2.462 -1.421 -0.216) 2.851 3.212 ( -2.336 -1.348 -3.740) 4.611 3.626 ( -4.227 -2.440 -2.721) 5.588 3.650 ( 14.359 8.290 8.629) 18.691 3.789 ( 21.786 12.578 6.357) 25.947 4.474 ( -3.700 -2.136 -7.264) 8.427 4.646 ( 3.678 2.123 -1.530) 4.514 4.714 ( 5.198 3.001 1.255) 6.131 4.843 ( 0.705 0.407 -2.602) 2.727 5.077 ( 7.881 4.550 2.864) 9.540 5.185 ( 4.873 2.814 -1.493) 5.822 5.412 ( 7.055 4.073 -6.651) 10.517 6.353 ( -7.194 -4.153 7.441) 11.152 6.834 ( -4.532 -2.617 -0.858) 5.303 7.011 ( 7.260 4.192 -1.435) 8.506 8.061 ( 0.370 0.214 1.881) 1.929 8.774 ( -7.118 -4.109 5.224) 9.738 9.563 ( -11.136 -6.430 -14.664) 19.503 19.857 ( 0.064 0.037 -1.258) 1.260 19.889 ( 3.192 1.843 -0.561) 3.728 19.966 ( -0.214 -0.124 1.150) 1.176 20.091 ( 2.335 1.348 0.167) 2.701 24.705 ( -1.845 -1.065 1.877) 2.839 25.056 ( -0.469 -0.271 -0.528) 0.757 32.290 ( -0.906 -0.523 -0.528) 1.172 32.344 ( -0.890 -0.514 -0.403) 1.104 41.960 ( -3.518 -2.031 -8.520) 9.439 42.305 ( 0.513 0.296 8.580) 8.600 42.433 ( 6.058 3.498 16.822) 18.218 44.559 ( 28.053 16.196 -31.653) 45.290======================= Grid point 407 (123/146) =======================q-point: ( 0.64 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.318 ( 1.524 0.880 11.802) 11.932 2.393 ( 5.409 3.123 4.992) 7.995 2.810 ( 0.599 0.346 1.301) 1.473 3.000 ( -12.134 -7.005 -3.271) 14.387 3.187 ( 10.472 6.046 -3.543) 12.601 3.602 ( 2.468 1.425 3.992) 4.905 3.922 ( 5.606 3.237 7.063) 9.581 4.304 ( 18.805 10.857 7.830) 23.082 4.308 ( -6.667 -3.849 -9.166) 11.970 4.719 ( 6.194 3.576 -6.906) 9.943 4.844 ( 4.809 2.776 3.925) 6.800 4.891 ( 1.652 0.954 3.763) 4.219 5.259 ( 6.048 3.492 0.965) 7.050 5.303 ( 6.740 3.891 0.876) 7.832 5.555 ( 7.105 4.102 -7.863) 11.364 6.129 ( -15.995 -9.235 12.458) 22.278 6.707 ( -5.595 -3.230 -3.939) 7.567 7.294 ( 19.634 11.335 -5.830) 23.408 8.081 ( 0.287 0.165 3.082) 3.100 8.635 ( -6.372 -3.679 1.180) 7.451 9.207 ( -14.538 -8.393 -11.448) 20.318 19.853 ( 0.106 0.061 -1.215) 1.221 19.964 ( -0.451 -0.261 1.112) 1.228 19.970 ( 3.983 2.300 -0.374) 4.615 20.133 ( 1.178 0.680 0.017) 1.360 24.677 ( -1.364 -0.787 1.309) 2.048 25.049 ( 0.047 0.027 -0.322) 0.326 32.277 ( -0.117 -0.068 -0.313) 0.341 32.328 ( -0.326 -0.188 -0.343) 0.509 41.843 ( -3.044 -1.758 -8.005) 8.743 42.362 ( 0.878 0.507 8.278) 8.340 42.618 ( 1.927 1.112 19.932) 20.055 44.937 ( 19.333 11.162 -26.940) 34.987======================= Grid point 408 (124/146) =======================q-point: (-0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.402 ( 0.934 0.539 11.344) 11.395 2.492 ( 0.684 0.395 5.360) 5.417 2.669 ( -14.624 -8.443 -3.812) 17.311 2.871 ( 3.472 2.004 1.994) 4.477 3.294 ( 3.590 2.073 -6.659) 7.844 3.663 ( -2.944 -1.699 5.024) 6.066 3.971 ( -2.859 -1.650 3.516) 4.823 4.155 ( -0.748 -0.432 -8.583) 8.626 4.728 ( 14.431 8.332 7.560) 18.298 4.826 ( 3.739 2.159 -3.515) 5.567 4.952 ( 2.317 1.338 5.582) 6.190 4.962 ( 3.537 2.042 8.203) 9.164 5.340 ( 2.345 1.354 -2.609) 3.761 5.493 ( 7.232 4.176 5.258) 9.869 5.500 ( -10.289 -5.940 -2.328) 12.106 5.921 ( -3.259 -1.882 0.505) 3.797 6.547 ( -6.001 -3.464 -6.441) 9.460 7.788 ( 24.665 14.241 -4.575) 28.846 8.108 ( 0.747 0.431 3.428) 3.535 8.441 ( -12.836 -7.411 -1.952) 14.950 8.864 ( -8.622 -4.978 -8.408) 13.032 19.846 ( -0.247 -0.143 -1.062) 1.100 19.961 ( -0.207 -0.119 0.988) 1.016 20.054 ( 3.336 1.926 0.001) 3.852 20.140 ( -0.489 -0.283 -0.331) 0.655 24.656 ( -1.058 -0.611 1.012) 1.587 25.053 ( 0.357 0.206 -0.157) 0.441 32.277 ( 0.128 0.074 -0.022) 0.149 32.327 ( 0.315 0.182 -0.347) 0.503 41.746 ( -2.246 -1.297 -6.789) 7.268 42.429 ( 1.601 0.924 7.173) 7.407 42.718 ( -2.049 -1.183 20.657) 20.792 45.174 ( 13.410 7.742 -24.052) 28.605======================= Grid point 415 (125/146) =======================q-point: ( 0.36 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( -0.000 15.224 16.116) 22.170 1.645 ( -0.000 21.048 20.045) 29.066 2.195 ( 0.000 16.612 -2.021) 16.734 2.248 ( 0.000 10.868 1.404) 10.958 2.495 ( -0.000 19.955 28.419) 34.725 3.126 ( -0.000 1.592 2.948) 3.350 3.942 ( -0.000 -4.817 0.553) 4.848 4.069 ( 0.000 -13.361 -14.005) 19.356 4.326 ( 0.000 -3.971 -3.423) 5.243 4.508 ( 0.000 4.586 -2.507) 5.226 4.635 ( 0.000 11.708 2.188) 11.911 4.756 ( 0.000 1.880 -14.621) 14.742 4.862 ( 0.000 7.959 -2.962) 8.492 5.044 ( -0.000 -3.246 -1.295) 3.495 5.118 ( 0.000 2.900 -1.807) 3.417 6.706 ( -0.000 -16.388 -0.199) 16.389 6.852 ( -0.000 -5.203 6.762) 8.532 7.021 ( -0.000 5.346 5.251) 7.493 8.120 ( 0.000 2.607 -2.354) 3.512 8.457 ( 0.000 27.534 -3.221) 27.721 10.147 ( -0.000 -22.093 -0.581) 22.100 19.829 ( -0.000 -1.007 -0.159) 1.020 19.864 ( 0.000 0.839 -1.148) 1.422 19.974 ( -0.000 0.679 0.399) 0.787 19.974 ( 0.000 1.640 0.768) 1.811 24.811 ( -0.000 -3.203 0.973) 3.347 25.099 ( -0.000 -1.226 -0.133) 1.233 32.375 ( -0.000 -2.426 0.576) 2.494 32.403 ( -0.000 -2.022 -0.434) 2.068 41.878 ( -0.000 -6.057 2.282) 6.472 42.279 ( 0.000 19.085 7.489) 20.502 42.516 ( 0.000 4.317 -2.749) 5.118 42.744 ( 0.000 35.638 -21.091) 41.411======================= Grid point 416 (126/146) =======================q-point: ( 0.45 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( 24.637 16.156 11.701) 31.701 1.966 ( 7.000 8.018 20.360) 22.974 2.227 ( -3.417 17.719 -3.304) 18.345 2.679 ( 21.237 16.373 0.419) 26.819 2.837 ( 4.770 10.153 11.704) 16.212 3.220 ( -0.122 20.354 10.895) 23.087 3.780 ( -8.370 -8.398 -7.192) 13.868 3.876 ( -6.244 -0.948 -2.679) 6.860 4.337 ( 6.131 -3.948 -3.665) 8.161 4.567 ( 1.902 6.555 -2.956) 7.438 4.669 ( -0.589 7.033 -6.320) 9.474 4.802 ( 4.317 5.400 2.774) 7.450 4.948 ( -3.454 -2.315 -3.551) 5.468 5.014 ( 6.119 -1.693 -0.479) 6.367 5.194 ( 5.782 6.445 -5.897) 10.476 6.509 ( -5.677 -5.266 -1.966) 7.989 6.878 ( 4.130 -5.552 6.354) 9.395 7.027 ( -6.571 3.642 2.657) 7.969 8.098 ( -2.759 3.849 -0.740) 4.793 8.792 ( 8.189 13.699 0.120) 15.961 9.831 ( -6.133 -25.070 -5.002) 26.289 19.825 ( 0.601 -0.338 0.112) 0.698 19.864 ( -0.241 0.874 -1.316) 1.598 19.984 ( -0.417 1.741 0.538) 1.870 20.008 ( 1.636 1.259 0.400) 2.103 24.772 ( -1.611 -2.616 1.596) 3.462 25.079 ( -0.658 -1.078 -0.319) 1.302 32.336 ( -1.295 -2.818 0.139) 3.104 32.377 ( -0.824 -1.131 -0.361) 1.445 41.903 ( 7.375 -7.061 2.958) 10.630 42.334 ( -13.147 7.494 -5.066) 15.958 42.506 ( -3.087 20.963 13.231) 24.981 43.376 ( 35.858 26.434 -28.930) 53.117======================= Grid point 417 (127/146) =======================q-point: ( 0.55 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.166 ( 4.036 2.705 14.156) 14.966 2.354 ( 0.455 18.601 3.411) 18.917 2.506 ( 23.691 8.186 4.817) 25.524 2.908 ( 0.977 5.622 1.124) 5.816 3.150 ( 9.755 7.202 -3.737) 12.688 3.600 ( 8.357 20.818 4.899) 22.961 3.650 ( 4.290 -1.670 5.452) 7.135 3.755 ( -5.725 6.761 0.420) 8.869 4.388 ( 4.225 -3.345 -3.383) 6.362 4.676 ( 5.397 6.493 -2.087) 8.698 4.715 ( -4.588 8.874 -3.607) 10.621 4.832 ( 0.850 -0.760 -2.444) 2.697 4.971 ( 8.139 0.511 3.175) 8.751 5.093 ( 5.376 0.355 -0.947) 5.471 5.323 ( 5.204 5.363 -5.341) 9.185 6.441 ( -2.247 2.528 1.601) 3.742 6.890 ( -3.327 -6.107 0.391) 6.965 6.952 ( 0.090 0.963 1.901) 2.133 8.105 ( -1.482 3.799 1.599) 4.380 8.885 ( -5.861 -1.481 6.170) 8.638 9.483 ( -3.158 -18.577 -13.130) 22.967 19.845 ( 1.275 0.117 -0.163) 1.290 19.867 ( 0.670 1.779 -1.043) 2.169 19.992 ( -1.054 1.746 0.688) 2.152 20.057 ( 2.665 0.774 0.184) 2.781 24.730 ( -1.653 -1.738 1.521) 2.840 25.058 ( -0.537 -0.579 -0.425) 0.897 32.294 ( -0.939 -1.416 -0.336) 1.732 32.350 ( -0.847 -0.968 -0.274) 1.315 41.950 ( 1.856 -3.662 -1.812) 4.488 42.235 ( -0.929 0.981 1.765) 2.223 42.715 ( -6.092 20.668 17.492) 27.753 44.019 ( 33.179 15.366 -30.624) 47.695======================= Grid point 418 (128/146) =======================q-point: ( 0.64 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.293 ( 3.059 -0.475 8.254) 8.816 2.522 ( -1.110 15.959 2.165) 16.143 2.776 ( 3.256 0.654 3.018) 4.487 3.064 ( -1.301 -3.214 -2.463) 4.253 3.187 ( 2.634 15.000 -0.365) 15.234 3.599 ( -1.096 0.119 1.246) 1.664 3.939 ( 5.194 8.876 5.126) 11.490 4.088 ( 21.095 11.524 5.469) 24.651 4.349 ( -2.362 -1.891 -3.721) 4.796 4.620 ( -4.006 0.517 -6.741) 7.859 4.847 ( 5.685 2.391 2.203) 6.549 4.911 ( 1.193 9.936 2.318) 10.272 5.171 ( 11.756 -1.377 0.317) 11.841 5.219 ( 8.004 7.353 0.083) 10.869 5.425 ( 5.075 3.454 -5.197) 8.043 6.346 ( -13.300 -8.901 11.769) 19.866 6.756 ( -3.961 -2.198 -5.502) 7.127 7.086 ( 12.449 7.842 -3.304) 15.080 8.125 ( -1.612 2.873 2.908) 4.394 8.726 ( -8.747 -5.163 3.310) 10.683 9.196 ( -5.363 -15.612 -12.180) 20.514 19.850 ( -0.090 0.478 -0.990) 1.103 19.926 ( 3.433 2.184 -0.089) 4.070 19.990 ( -1.297 1.289 0.738) 1.972 20.106 ( 2.305 0.137 0.061) 2.310 24.697 ( -1.371 -1.182 1.068) 2.102 25.048 ( -0.097 -0.094 -0.284) 0.315 32.275 ( -0.159 -0.459 -0.322) 0.582 32.329 ( -0.467 -0.690 -0.202) 0.857 41.881 ( -4.714 1.621 -6.481) 8.177 42.315 ( 6.234 -1.998 7.392) 9.874 42.860 ( -8.096 13.767 20.075) 25.653 44.486 ( 26.858 7.217 -27.210) 38.908======================= Grid point 419 (129/146) =======================q-point: ( 0.73 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.362 ( 3.438 -1.231 3.516) 5.070 2.634 ( -4.124 10.985 1.641) 11.848 2.779 ( -3.406 -7.124 0.865) 7.944 2.895 ( -7.544 0.606 5.001) 9.071 3.357 ( -1.157 18.189 -6.292) 19.281 3.675 ( 2.171 -1.319 7.042) 7.486 4.030 ( -0.264 2.613 0.964) 2.797 4.251 ( -10.099 6.764 -4.354) 12.911 4.500 ( 15.845 -2.873 3.321) 16.442 4.649 ( 12.397 2.025 -3.593) 13.065 4.933 ( 4.050 -0.254 4.694) 6.205 5.053 ( -0.176 9.783 5.248) 11.104 5.282 ( 4.656 0.265 -2.553) 5.317 5.469 ( 1.100 1.910 0.000) 2.205 5.512 ( 10.665 7.525 -1.706) 13.163 6.005 ( -14.730 -14.624 8.124) 22.290 6.622 ( -7.550 -0.651 -5.314) 9.255 7.487 ( 22.895 13.670 -4.431) 27.031 8.139 ( -0.962 1.823 3.060) 3.689 8.546 ( -8.963 -6.316 -0.478) 10.976 8.873 ( -7.637 -13.345 -8.625) 17.630 19.847 ( -0.275 0.396 -0.948) 1.063 19.981 ( -0.918 0.857 0.915) 1.554 20.012 ( 3.565 2.053 -0.015) 4.114 20.131 ( 0.822 -0.680 -0.190) 1.083 24.672 ( -1.066 -0.846 0.782) 1.570 25.049 ( 0.246 0.164 -0.126) 0.322 32.273 ( 0.253 -0.218 -0.072) 0.342 32.320 ( 0.136 -0.339 -0.203) 0.418 41.787 ( -5.031 3.219 -6.417) 8.766 42.445 ( 4.361 1.773 7.369) 8.744 42.911 ( -8.185 4.333 20.652) 22.633 44.803 ( 20.833 2.354 -23.925) 31.811======================= Grid point 427 (130/146) =======================q-point: ( 0.45 0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( 0.000 19.843 9.181) 21.864 2.093 ( -0.000 5.877 18.421) 19.336 2.515 ( 0.000 14.011 2.601) 14.250 2.580 ( 0.000 19.971 -2.261) 20.099 2.942 ( -0.000 8.883 6.306) 10.894 3.511 ( 0.000 22.310 10.874) 24.819 3.816 ( 0.000 -4.266 -5.620) 7.056 3.855 ( 0.000 9.077 -11.130) 14.362 4.267 ( -0.000 -2.555 2.908) 3.871 4.579 ( 0.000 -4.380 -7.645) 8.811 4.607 ( 0.000 7.876 -2.344) 8.218 4.904 ( 0.000 1.537 -1.564) 2.193 4.940 ( -0.000 4.140 2.432) 4.802 4.986 ( 0.000 5.541 0.775) 5.595 5.173 ( 0.000 6.341 -4.802) 7.954 6.502 ( 0.000 -1.389 -4.456) 4.668 6.801 ( -0.000 -6.559 6.086) 8.948 7.138 ( -0.000 1.523 1.366) 2.046 8.143 ( 0.000 2.197 -2.687) 3.471 8.875 ( 0.000 15.578 0.058) 15.578 9.580 ( -0.000 -32.571 0.033) 32.571 19.816 ( -0.000 -0.497 0.543) 0.736 19.871 ( 0.000 1.482 -1.451) 2.074 19.988 ( 0.000 0.437 0.046) 0.439 20.031 ( 0.000 3.183 0.352) 3.203 24.765 ( -0.000 -2.701 1.288) 2.993 25.071 ( -0.000 -1.191 -0.336) 1.237 32.318 ( -0.000 -2.920 0.130) 2.922 32.370 ( -0.000 -1.318 -0.328) 1.358 41.795 ( -0.000 -5.406 3.738) 6.572 42.546 ( 0.000 2.342 -4.195) 4.805 42.827 ( -0.000 21.575 15.229) 26.409 43.154 ( 0.000 33.874 -29.250) 44.755======================= Grid point 428 (131/146) =======================q-point: ( 0.55 0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.221 ( 2.009 1.022 13.699) 13.883 2.249 ( 19.453 16.019 5.467) 25.786 2.574 ( -3.461 16.680 0.605) 17.046 2.898 ( 10.042 7.324 1.605) 12.532 3.087 ( 3.576 10.702 0.920) 11.321 3.618 ( -2.573 1.550 0.666) 3.077 3.798 ( 2.134 13.775 -0.784) 13.961 3.906 ( -8.074 9.385 -5.140) 13.404 4.314 ( 4.630 5.722 0.556) 7.382 4.633 ( 9.734 -1.540 0.365) 9.862 4.672 ( 0.710 4.547 -3.618) 5.854 4.863 ( 1.207 2.719 -4.978) 5.799 4.987 ( -4.949 6.909 4.541) 9.636 5.051 ( 1.019 3.270 1.675) 3.812 5.276 ( 5.138 7.200 -3.655) 9.571 6.500 ( 0.286 7.235 -3.316) 7.963 6.796 ( 2.638 -9.031 4.674) 10.505 7.054 ( -7.391 -2.196 -1.344) 7.827 8.155 ( 0.367 2.514 -1.082) 2.762 8.992 ( -1.296 3.922 3.356) 5.322 9.243 ( -2.616 -27.618 -2.796) 27.882 19.825 ( 1.072 -0.025 0.692) 1.276 19.879 ( -0.190 2.312 -1.340) 2.679 20.005 ( 1.389 0.269 -0.127) 1.420 20.056 ( -0.667 2.824 0.280) 2.915 24.739 ( -0.835 -2.145 0.982) 2.502 25.057 ( -0.287 -0.748 -0.343) 0.872 32.290 ( -0.471 -1.699 -0.057) 1.764 32.351 ( -0.559 -1.179 -0.263) 1.332 41.821 ( 5.884 -5.170 4.409) 8.989 42.399 ( -11.631 5.560 -6.324) 14.359 43.090 ( -0.607 17.256 12.931) 21.573 43.559 ( 20.765 24.329 -20.882) 38.198======================= Grid point 429 (132/146) =======================q-point: ( 0.64 0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.293 ( 0.988 -0.609 6.895) 6.992 2.618 ( 5.025 6.966 0.340) 8.596 2.823 ( 9.185 18.833 3.473) 21.239 2.991 ( -0.923 -3.989 -1.358) 4.314 3.261 ( 7.115 12.787 -0.079) 14.634 3.641 ( -1.640 -2.571 -0.413) 3.077 3.906 ( 4.991 14.660 -0.107) 15.487 4.024 ( 7.055 12.863 2.471) 14.877 4.324 ( -3.734 -4.256 -3.821) 6.830 4.765 ( 3.802 5.022 -1.244) 6.421 4.807 ( 6.930 -0.562 2.945) 7.551 4.871 ( -2.372 8.059 -2.284) 8.705 5.064 ( 3.288 9.237 2.277) 10.066 5.138 ( 6.141 4.721 -1.443) 7.880 5.399 ( 3.238 5.591 -1.527) 6.639 6.533 ( -11.146 -7.255 10.132) 16.719 6.686 ( 3.204 -3.756 -9.698) 10.882 7.017 ( 3.835 6.439 -0.191) 7.497 8.183 ( -0.115 2.077 0.837) 2.242 8.868 ( -11.613 -8.139 7.322) 15.960 9.002 ( 1.217 -16.382 -9.145) 18.801 19.848 ( 0.739 0.153 0.118) 0.764 19.908 ( 1.312 3.129 -0.564) 3.440 20.024 ( -0.015 0.639 0.061) 0.642 20.076 ( 0.844 1.227 0.134) 1.495 24.709 ( -1.011 -1.565 0.552) 1.943 25.047 ( -0.122 -0.187 -0.201) 0.300 32.272 ( -0.255 -0.579 -0.118) 0.644 32.329 ( -0.554 -0.899 -0.146) 1.066 41.891 ( 3.258 -2.514 1.599) 4.415 42.300 ( -2.636 5.644 -2.393) 6.673 43.241 ( -6.051 11.222 13.083) 18.268 44.011 ( 21.326 13.518 -16.592) 30.213======================= Grid point 430 (133/146) =======================q-point: ( 0.73 0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.324 ( 1.349 -0.173 0.580) 1.478 2.726 ( 2.185 2.448 0.251) 3.291 2.816 ( -7.647 -4.420 0.690) 8.860 3.065 ( -2.546 7.107 2.113) 7.839 3.532 ( 2.605 19.758 -2.218) 20.052 3.664 ( 5.400 6.624 3.750) 9.332 4.070 ( -1.393 2.289 2.156) 3.439 4.202 ( 7.157 -8.352 -2.209) 11.219 4.371 ( 11.780 11.963 -0.945) 16.816 4.673 ( -13.044 8.315 -2.554) 15.678 4.888 ( 2.609 1.998 2.460) 4.105 5.078 ( 13.953 -1.337 0.844) 14.042 5.202 ( 0.999 7.673 3.019) 8.306 5.321 ( 9.352 3.039 -5.226) 11.136 5.503 ( 3.731 7.261 1.555) 8.311 6.159 ( -15.183 -17.260 5.296) 23.590 6.683 ( -2.592 -1.231 -3.009) 4.158 7.288 ( 14.497 15.398 -1.885) 21.232 8.190 ( -1.356 0.728 1.460) 2.121 8.643 ( -10.043 -6.629 2.441) 12.278 8.778 ( -3.146 -15.806 -6.411) 17.344 19.852 ( -0.212 0.357 -0.427) 0.596 19.972 ( 2.651 2.353 0.221) 3.551 20.021 ( -1.003 1.266 0.248) 1.634 20.103 ( 1.439 -0.240 -0.108) 1.463 24.681 ( -0.876 -1.127 0.294) 1.458 25.047 ( 0.131 0.141 -0.049) 0.199 32.267 ( 0.065 -0.235 -0.037) 0.247 32.315 ( -0.164 -0.572 -0.060) 0.598 41.879 ( -3.516 3.115 -3.577) 5.904 42.395 ( 6.408 3.513 4.390) 8.525 43.238 ( -10.615 4.115 12.827) 17.151 44.365 ( 19.066 5.572 -14.515) 24.601======================= Grid point 439 (134/146) =======================q-point: ( 0.55 0.55 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.237 ( 0.000 15.522 2.155) 15.671 2.293 ( -0.000 1.042 10.505) 10.556 2.782 ( 0.000 3.870 0.741) 3.941 2.822 ( 0.000 12.279 5.932) 13.637 3.167 ( 0.000 4.623 -2.363) 5.192 3.712 ( 0.000 2.055 -9.107) 9.336 3.794 ( 0.000 14.101 3.297) 14.481 4.142 ( 0.000 16.460 -13.470) 21.269 4.240 ( -0.000 -6.339 7.135) 9.545 4.602 ( 0.000 5.866 1.531) 6.063 4.756 ( 0.000 9.432 -2.341) 9.718 4.788 ( 0.000 3.121 -2.182) 3.808 5.103 ( 0.000 5.236 2.410) 5.764 5.178 ( -0.000 7.532 8.071) 11.039 5.260 ( 0.000 7.970 -6.088) 10.029 6.545 ( 0.000 8.326 -7.155) 10.978 6.724 ( -0.000 -7.298 5.549) 9.169 7.066 ( -0.000 -6.748 -1.437) 6.899 8.147 ( 0.000 1.187 -3.046) 3.269 8.936 ( -0.000 -13.606 -6.809) 15.215 9.122 ( -0.000 -10.747 13.464) 17.227 19.820 ( -0.000 0.071 1.008) 1.011 19.902 ( 0.000 3.213 -1.198) 3.429 19.990 ( 0.000 -0.071 -0.353) 0.361 20.093 ( 0.000 2.759 0.015) 2.759 24.728 ( -0.000 -2.074 0.429) 2.118 25.051 ( -0.000 -0.532 -0.247) 0.586 32.279 ( -0.000 -1.062 0.082) 1.065 32.343 ( -0.000 -1.099 -0.225) 1.122 41.747 ( -0.000 -4.152 5.182) 6.641 42.526 ( 0.000 0.833 -5.611) 5.673 43.086 ( 0.000 9.482 -20.118) 22.241 43.759 ( 0.000 32.800 14.793) 35.982======================= Grid point 440 (135/146) =======================q-point: ( 0.64 0.55 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( -0.920 0.824 4.698) 4.858 2.529 ( 13.497 9.492 0.370) 16.505 2.799 ( 2.125 4.687 0.168) 5.149 3.049 ( -1.125 1.192 0.708) 1.785 3.163 ( 11.011 3.051 1.321) 11.502 3.666 ( -3.219 4.560 -6.965) 8.925 3.985 ( 2.656 6.438 -0.514) 6.983 4.135 ( -1.610 18.604 1.638) 18.745 4.353 ( 1.144 1.339 -5.578) 5.849 4.538 ( 1.471 -6.194 3.038) 7.054 4.865 ( -0.778 9.219 -0.287) 9.256 4.959 ( 9.811 8.840 -4.071) 13.820 5.149 ( -4.400 6.057 2.440) 7.874 5.209 ( -3.456 12.421 3.323) 13.314 5.383 ( 4.220 5.744 -0.760) 7.168 6.517 ( -2.342 -15.453 -9.893) 18.497 6.663 ( -1.150 -1.147 5.600) 5.831 7.052 ( 1.151 9.914 1.683) 10.121 8.166 ( 2.362 0.451 -2.323) 3.343 8.777 ( 0.875 -14.327 -3.434) 14.758 9.022 ( -8.243 -9.650 10.272) 16.328 19.835 ( 0.884 0.149 0.930) 1.292 19.931 ( -0.035 3.981 -0.749) 4.051 19.999 ( 1.495 -0.420 -0.475) 1.624 20.106 ( -1.088 2.011 0.053) 2.287 24.706 ( -0.457 -1.721 -0.054) 1.782 25.046 ( -0.046 -0.112 -0.090) 0.150 32.272 ( -0.208 -0.296 0.101) 0.376 32.329 ( -0.408 -0.796 -0.103) 0.901 41.787 ( 5.396 -3.638 5.612) 8.593 42.429 ( -6.611 4.681 -7.218) 10.850 43.168 ( 11.831 0.530 -18.613) 22.061 44.123 ( -2.912 27.207 18.549) 33.057======================= Grid point 451 (136/146) =======================q-point: (-0.36 -0.36 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.384 ( -0.000 1.820 2.937) 3.455 2.459 ( 0.000 7.960 -3.539) 8.712 2.827 ( 0.000 1.581 -0.716) 1.735 3.015 ( -0.000 -12.640 -5.331) 13.718 3.092 ( -0.000 8.063 8.173) 11.481 3.709 ( 0.000 5.708 -9.424) 11.017 4.017 ( 0.000 4.798 -5.059) 6.972 4.165 ( -0.000 -8.856 9.541) 13.018 4.439 ( 0.000 25.062 -7.600) 26.189 4.614 ( -0.000 2.127 4.676) 5.137 4.900 ( 0.000 7.504 -3.606) 8.326 4.946 ( 0.000 5.736 -3.302) 6.618 5.235 ( 0.000 5.107 2.651) 5.754 5.366 ( 0.000 9.220 -5.550) 10.762 5.429 ( -0.000 8.496 8.735) 12.185 6.319 ( 0.000 -20.417 -12.438) 23.907 6.633 ( -0.000 -7.711 5.613) 9.537 7.217 ( 0.000 21.911 4.375) 22.343 8.130 ( 0.000 0.505 -3.308) 3.347 8.648 ( -0.000 -9.915 -0.628) 9.935 9.034 ( -0.000 -14.033 10.946) 17.797 19.835 ( -0.000 0.224 1.122) 1.144 19.971 ( 0.000 4.499 -0.434) 4.520 19.978 ( 0.000 -0.489 -0.756) 0.900 20.132 ( 0.000 1.197 0.038) 1.198 24.692 ( -0.000 -1.609 -0.553) 1.701 25.046 ( 0.000 0.106 0.035) 0.112 32.273 ( -0.000 0.063 0.178) 0.189 32.326 ( -0.000 -0.472 0.020) 0.473 41.735 ( -0.000 -3.117 6.220) 6.957 42.476 ( 0.000 0.669 -6.617) 6.651 42.956 ( 0.000 1.828 -23.966) 24.035 44.536 ( -0.000 24.292 25.178) 34.986======================= Grid point 537 (137/146) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( -0.000 0.000 19.495) 19.495 1.348 ( -0.000 0.000 19.495) 19.495 2.063 ( 0.000 0.000 -3.950) 3.950 2.063 ( 0.000 -0.000 -3.950) 3.950 2.500 ( -0.000 0.000 34.333) 34.333 3.149 ( -0.000 0.000 3.085) 3.085 4.014 ( -0.000 0.000 2.561) 2.561 4.159 ( 0.000 -0.000 -26.633) 26.633 4.435 ( 0.000 0.000 -0.267) 0.267 4.435 ( 0.000 -0.000 -0.267) 0.267 4.447 ( 0.000 -0.000 -2.404) 2.404 4.664 ( 0.000 -0.000 -7.951) 7.951 4.664 ( 0.000 -0.000 -7.951) 7.951 5.094 ( -0.000 0.000 0.494) 0.494 5.094 ( -0.000 0.000 0.494) 0.494 6.961 ( -0.000 0.000 5.402) 5.402 6.961 ( -0.000 0.000 5.402) 5.402 7.002 ( -0.000 0.000 1.024) 1.024 8.064 ( 0.000 -0.000 -1.904) 1.904 8.064 ( 0.000 -0.000 -1.904) 1.904 10.373 ( -0.000 0.000 0.443) 0.443 19.845 ( 0.000 0.000 -0.509) 0.509 19.845 ( 0.000 -0.000 -0.509) 0.509 19.966 ( -0.000 0.000 0.490) 0.490 19.966 ( -0.000 0.000 0.490) 0.490 24.846 ( 0.000 -0.000 -0.299) 0.299 25.113 ( 0.000 -0.000 -0.056) 0.056 32.396 ( -0.000 0.000 0.368) 0.368 32.434 ( 0.000 -0.000 -0.302) 0.302 41.999 ( -0.000 0.000 1.500) 1.500 41.999 ( 0.000 -0.000 1.500) 1.500 42.409 ( 0.000 0.000 -1.857) 1.857 42.409 ( 0.000 -0.000 -1.857) 1.857======================= Grid point 538 (138/146) =======================q-point: ( 0.45 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 21.846 12.613 14.297) 28.996 1.768 ( 20.763 11.988 14.905) 28.231 1.989 ( 1.251 0.722 -4.509) 4.734 2.374 ( 21.094 12.179 -3.721) 24.640 2.743 ( 7.513 4.338 23.749) 25.284 3.138 ( -1.940 -1.120 7.987) 8.296 3.882 ( -9.447 -5.454 -16.862) 20.083 3.934 ( -7.289 -4.208 0.251) 8.421 4.384 ( 2.546 1.470 -2.366) 3.774 4.453 ( 1.646 0.950 -2.486) 3.129 4.534 ( 0.056 0.032 -4.983) 4.984 4.665 ( 10.474 6.047 0.269) 12.097 4.891 ( 11.470 6.622 -7.599) 15.270 5.059 ( -1.403 -0.810 -2.132) 2.678 5.095 ( 0.048 0.028 0.549) 0.552 6.704 ( -17.266 -9.968 0.715) 19.949 6.976 ( 0.556 0.321 6.276) 6.309 6.989 ( -1.440 -0.831 2.298) 2.837 8.042 ( 0.121 0.070 -0.142) 0.199 8.471 ( 24.396 14.085 -3.254) 28.357 10.171 ( -16.231 -9.371 -1.341) 18.790 19.832 ( -0.347 -0.201 0.099) 0.413 19.850 ( 0.121 0.070 -0.941) 0.951 19.968 ( 0.143 0.083 0.690) 0.709 19.989 ( 1.570 0.906 0.176) 1.821 24.818 ( -2.152 -1.243 0.484) 2.532 25.098 ( -1.171 -0.676 -0.065) 1.354 32.383 ( -1.793 -1.035 0.501) 2.130 32.397 ( -2.039 -1.177 -0.422) 2.392 42.047 ( -0.314 -0.181 -3.470) 3.489 42.103 ( 8.860 5.115 7.107) 12.457 42.338 ( -1.434 -0.828 3.316) 3.706 42.819 ( 32.178 18.578 -14.532) 39.897======================= Grid point 539 (139/146) =======================q-point: ( 0.55 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( 7.515 4.339 -4.265) 9.669 2.171 ( 12.675 7.318 12.096) 18.987 2.351 ( 23.387 13.502 11.162) 29.221 2.790 ( 10.476 6.048 -11.578) 16.745 2.962 ( 10.833 6.254 3.320) 12.942 3.348 ( 14.708 8.491 19.293) 25.703 3.700 ( -0.396 -0.228 -0.698) 0.834 3.743 ( -8.066 -4.657 -1.514) 9.436 4.448 ( -0.420 -0.242 -6.361) 6.379 4.491 ( 7.454 4.303 -2.829) 9.060 4.587 ( 5.402 3.119 -1.438) 6.401 4.871 ( -5.957 -3.439 -2.048) 7.177 4.913 ( 9.896 5.714 3.755) 12.029 5.109 ( 1.409 0.813 0.152) 1.634 5.173 ( 9.141 5.277 -8.527) 13.569 6.443 ( -4.812 -2.778 0.003) 5.556 6.924 ( -4.275 -2.468 -1.205) 5.081 7.023 ( -0.186 -0.108 7.153) 7.156 8.063 ( 1.102 0.636 1.885) 2.274 8.862 ( 8.657 4.998 1.248) 10.074 9.724 ( -18.807 -10.858 -8.633) 23.369 19.840 ( 1.133 0.654 0.418) 1.374 19.844 ( -0.072 -0.042 -1.202) 1.205 19.976 ( 0.185 0.107 0.793) 0.821 20.036 ( 2.470 1.426 0.042) 2.852 24.769 ( -2.364 -1.365 1.014) 2.912 25.069 ( -1.113 -0.642 -0.207) 1.301 32.323 ( -2.499 -1.443 -0.179) 2.891 32.366 ( -1.181 -0.682 -0.095) 1.367 41.963 ( -3.716 -2.145 -6.995) 8.206 42.369 ( 0.933 0.539 7.078) 7.160 42.407 ( 11.625 6.712 16.523) 21.289 43.512 ( 35.767 20.650 -26.178) 48.898======================= Grid point 540 (140/146) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.254 ( 9.509 5.490 0.165) 10.981 2.355 ( 2.020 1.166 3.791) 4.452 2.806 ( 0.454 0.262 -2.391) 2.448 2.860 ( 17.109 9.878 1.284) 19.797 3.154 ( -0.206 -0.119 -1.725) 1.741 3.617 ( -1.871 -1.080 2.605) 3.384 3.773 ( 15.833 9.141 5.742) 19.163 3.938 ( 15.969 9.220 12.719) 22.400 4.358 ( -4.666 -2.694 -8.004) 9.648 4.623 ( 1.554 0.897 -1.507) 2.343 4.730 ( 7.033 4.060 1.176) 8.206 4.800 ( 4.683 2.704 -2.641) 6.018 5.124 ( 6.833 3.945 0.898) 7.942 5.181 ( 5.324 3.074 2.852) 6.776 5.301 ( 6.872 3.968 -7.894) 11.193 6.450 ( 0.811 0.468 5.818) 5.893 6.797 ( -5.724 -3.305 -3.831) 7.640 7.026 ( -0.252 -0.146 2.775) 2.790 8.100 ( 0.882 0.509 3.064) 3.229 8.849 ( -9.190 -5.306 5.023) 11.740 9.338 ( -10.141 -5.855 -14.835) 18.900 19.838 ( 0.081 0.046 -1.252) 1.256 19.889 ( 2.969 1.714 0.456) 3.459 19.981 ( -0.147 -0.085 0.800) 0.818 20.093 ( 2.327 1.344 0.053) 2.688 24.725 ( -1.908 -1.102 0.804) 2.345 25.050 ( -0.463 -0.267 -0.169) 0.561 32.283 ( -0.933 -0.538 -0.360) 1.135 32.341 ( -0.938 -0.542 -0.031) 1.084 41.841 ( -3.639 -2.101 -7.142) 8.287 42.427 ( 0.723 0.417 7.431) 7.478 42.734 ( 7.642 4.412 22.732) 24.385 44.107 ( 29.009 16.748 -27.658) 43.439======================= Grid point 549 (141/146) =======================q-point: ( 0.45 0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( -0.000 10.789 14.976) 18.457 1.898 ( 0.000 22.857 9.985) 24.943 2.148 ( 0.000 18.388 -0.508) 18.395 2.216 ( 0.000 14.188 -5.995) 15.402 2.851 ( -0.000 5.502 14.681) 15.678 3.235 ( -0.000 6.263 13.522) 14.902 3.800 ( 0.000 -5.563 -20.590) 21.328 3.938 ( -0.000 -8.343 -0.631) 8.367 4.325 ( -0.000 -2.872 3.059) 4.196 4.476 ( 0.000 4.459 -1.562) 4.725 4.537 ( 0.000 1.279 -12.183) 12.250 4.695 ( 0.000 14.371 4.686) 15.116 4.798 ( 0.000 11.518 -5.126) 12.607 5.037 ( -0.000 -5.921 0.004) 5.921 5.102 ( 0.000 0.675 -0.426) 0.798 6.708 ( -0.000 -19.287 0.268) 19.289 6.942 ( -0.000 -4.726 4.896) 6.805 7.070 ( 0.000 4.468 0.989) 4.576 8.083 ( 0.000 2.322 -2.389) 3.332 8.424 ( 0.000 27.789 -0.926) 27.804 10.147 ( -0.000 -22.528 0.439) 22.533 19.830 ( -0.000 -0.647 0.295) 0.711 19.848 ( 0.000 0.398 -0.925) 1.007 19.978 ( 0.000 0.522 0.047) 0.524 19.984 ( 0.000 1.666 0.495) 1.738 24.820 ( -0.000 -2.196 0.296) 2.216 25.097 ( -0.000 -1.366 -0.049) 1.366 32.383 ( -0.000 -2.432 0.510) 2.485 32.396 ( -0.000 -2.097 -0.411) 2.137 41.923 ( -0.000 -5.432 3.624) 6.530 42.349 ( 0.000 29.741 -2.228) 29.825 42.465 ( 0.000 3.636 -3.967) 5.381 42.539 ( 0.000 15.478 -2.706) 15.713======================= Grid point 550 (142/146) =======================q-point: ( 0.55 0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( 22.591 13.048 9.231) 27.674 2.147 ( -1.248 21.414 -6.482) 22.408 2.225 ( 4.090 8.037 11.631) 14.717 2.637 ( 16.584 19.175 -4.386) 25.728 2.942 ( 1.521 3.481 2.848) 4.748 3.434 ( 1.979 16.828 14.520) 22.314 3.655 ( -0.519 -2.496 -9.186) 9.533 3.836 ( -3.800 -3.250 -2.081) 5.416 4.293 ( 1.531 -3.009 -1.910) 3.879 4.529 ( 2.153 5.345 -1.645) 5.993 4.581 ( 3.787 7.100 -3.607) 8.818 4.861 ( 3.748 8.414 3.011) 9.690 4.923 ( -4.850 -4.092 0.804) 6.396 4.983 ( 7.540 3.279 -3.451) 8.917 5.132 ( 2.647 4.292 -1.945) 5.405 6.489 ( -5.140 -7.675 -0.659) 9.261 6.970 ( 4.684 -5.527 5.151) 8.889 7.033 ( -7.374 2.193 -1.759) 7.891 8.092 ( -0.107 3.178 -0.132) 3.182 8.785 ( 10.270 16.944 -0.533) 19.820 9.785 ( -12.334 -26.226 -1.325) 29.012 19.831 ( 0.515 -0.162 0.678) 0.867 19.845 ( -0.245 0.635 -1.089) 1.284 19.990 ( 0.203 1.191 0.203) 1.226 20.012 ( 1.230 1.563 0.134) 1.993 24.787 ( -1.321 -2.231 0.487) 2.638 25.076 ( -0.738 -1.255 -0.101) 1.460 32.338 ( -1.621 -3.024 0.061) 3.431 32.373 ( -0.741 -1.161 -0.107) 1.382 41.943 ( 3.434 -4.598 1.838) 6.026 42.270 ( -6.392 3.791 -2.637) 7.885 42.726 ( -2.655 27.132 16.058) 31.639 43.006 ( 31.454 18.800 -20.734) 42.104======================= Grid point 551 (143/146) =======================q-point: ( 0.64 0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.286 ( -0.246 14.110 1.051) 14.151 2.357 ( 2.796 8.209 -2.830) 9.122 2.567 ( 20.478 6.611 1.880) 21.600 2.907 ( 3.230 11.737 -0.385) 12.179 3.096 ( 6.217 5.563 -1.680) 8.510 3.621 ( -0.231 4.755 -0.579) 4.796 3.758 ( 12.113 2.171 6.351) 13.848 3.815 ( 3.080 8.585 5.994) 10.914 4.340 ( 3.439 1.450 -2.790) 4.660 4.645 ( 7.008 5.583 -1.073) 9.024 4.663 ( -5.109 7.536 -2.737) 9.508 4.819 ( 0.487 1.679 0.926) 1.978 5.016 ( 8.743 -0.524 1.367) 8.865 5.076 ( 3.942 0.766 -1.469) 4.276 5.259 ( 4.279 8.061 -2.053) 9.354 6.461 ( 2.911 4.888 1.677) 5.931 6.865 ( -9.282 -4.375 -3.713) 10.913 7.005 ( 2.420 -5.580 4.416) 7.516 8.133 ( 0.172 3.250 1.785) 3.712 8.969 ( -2.906 1.957 4.734) 5.889 9.307 ( -10.541 -19.749 -9.446) 24.297 19.838 ( -0.259 0.604 -0.860) 1.083 19.864 ( 1.971 1.296 0.605) 2.435 20.001 ( -0.700 1.448 0.419) 1.662 20.058 ( 2.633 0.837 -0.059) 2.764 24.744 ( -1.557 -1.776 0.287) 2.379 25.054 ( -0.547 -0.632 -0.047) 0.837 32.290 ( -1.144 -1.392 -0.158) 1.809 32.348 ( -0.809 -1.041 0.019) 1.318 41.894 ( -5.318 1.127 -4.838) 7.277 42.301 ( 7.894 -5.283 6.135) 11.307 42.999 ( -4.286 21.381 18.945) 28.886 43.612 ( 30.923 16.901 -21.869) 41.474======================= Grid point 561 (144/146) =======================q-point: ( 0.55 0.55 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( -0.000 14.484 8.372) 16.730 2.269 ( 0.000 9.626 1.658) 9.768 2.492 ( 0.000 20.335 -5.940) 21.185 2.609 ( 0.000 17.333 8.732) 19.409 2.986 ( 0.000 7.312 0.232) 7.316 3.619 ( 0.000 3.981 -10.680) 11.398 3.672 ( 0.000 22.108 -0.307) 22.110 3.747 ( -0.000 -7.994 -2.541) 8.388 4.346 ( -0.000 -1.509 6.620) 6.790 4.485 ( 0.000 4.576 -3.256) 5.616 4.582 ( 0.000 7.387 -0.785) 7.428 4.862 ( -0.000 -7.427 -1.088) 7.506 4.971 ( 0.000 9.983 -2.970) 10.415 5.046 ( -0.000 10.618 8.140) 13.379 5.121 ( 0.000 2.689 -1.861) 3.270 6.456 ( -0.000 -4.388 -1.784) 4.737 6.881 ( -0.000 -6.126 4.270) 7.467 7.114 ( 0.000 0.558 -4.280) 4.316 8.100 ( 0.000 1.982 -2.833) 3.457 8.871 ( 0.000 14.968 -0.313) 14.971 9.621 ( -0.000 -29.416 4.963) 29.832 19.828 ( -0.000 -0.271 0.960) 0.997 19.851 ( 0.000 1.321 -1.076) 1.703 19.985 ( 0.000 0.342 -0.368) 0.502 20.035 ( 0.000 2.948 0.191) 2.954 24.776 ( -0.000 -2.541 0.123) 2.544 25.068 ( -0.000 -1.333 -0.069) 1.335 32.320 ( -0.000 -3.061 0.183) 3.066 32.367 ( -0.000 -1.355 -0.128) 1.361 41.867 ( -0.000 -5.087 5.638) 7.594 42.469 ( 0.000 1.973 -5.957) 6.276 42.702 ( 0.000 18.429 -22.235) 28.879 43.160 ( 0.000 35.969 20.248) 41.276======================= Grid point 672 (145/146) =======================q-point: ( 0.45 0.45 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 146Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( -0.000 0.000 11.174) 11.174 1.594 ( -0.000 0.000 11.174) 11.174 1.977 ( 0.000 -0.000 -5.769) 5.769 1.977 ( 0.000 -0.000 -5.769) 5.769 2.888 ( -0.000 0.000 12.837) 12.837 3.282 ( -0.000 0.000 16.803) 16.803 3.746 ( 0.000 -0.000 -26.070) 26.070 4.043 ( -0.000 0.000 1.102) 1.102 4.419 ( 0.000 -0.000 -1.043) 1.043 4.459 ( -0.000 0.000 3.036) 3.036 4.459 ( 0.000 -0.000 3.036) 3.036 4.555 ( 0.000 -0.000 -5.951) 5.951 4.555 ( 0.000 -0.000 -5.951) 5.951 5.099 ( -0.000 0.000 0.187) 0.187 5.099 ( -0.000 0.000 0.187) 0.187 7.013 ( -0.000 0.000 0.345) 0.345 7.018 ( -0.000 0.000 2.012) 2.012 7.018 ( -0.000 0.000 2.012) 2.012 8.043 ( 0.000 -0.000 -0.769) 0.769 8.043 ( 0.000 -0.000 -0.769) 0.769 10.378 ( -0.000 0.000 0.165) 0.165 19.840 ( 0.000 -0.000 -0.173) 0.173 19.840 ( 0.000 -0.000 -0.173) 0.173 19.971 ( -0.000 0.000 0.166) 0.166 19.971 ( -0.000 0.000 0.166) 0.166 24.843 ( 0.000 -0.000 -0.114) 0.114 25.113 ( 0.000 -0.000 -0.018) 0.018 32.400 ( -0.000 0.000 0.175) 0.175 32.430 ( 0.000 -0.000 -0.151) 0.151 42.016 ( 0.000 0.000 0.640) 0.640 42.016 ( 0.000 -0.000 0.640) 0.640 42.388 ( 0.000 0.000 -0.773) 0.773 42.388 ( 0.000 -0.000 -0.773) 0.773======================= Grid point 673 (146/146) =======================q-point: ( 0.55 0.45 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.98e-04 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.775 ( 9.075 5.240 -10.626) 14.924 1.864 ( 19.452 11.230 10.255) 24.691 2.073 ( 12.388 7.152 11.997) 18.669 2.258 ( 20.164 11.642 -10.578) 25.574 2.930 ( 0.292 0.168 2.329) 2.353 3.365 ( 2.171 1.254 14.070) 14.292 3.617 ( -0.476 -0.275 -12.187) 12.199 3.934 ( -8.525 -4.922 -0.057) 9.844 4.398 ( -1.337 -0.772 -5.449) 5.663 4.402 ( 0.540 0.312 5.196) 5.233 4.470 ( 3.282 1.895 -1.342) 4.020 4.718 ( 11.030 6.368 5.100) 13.719 4.782 ( 13.080 7.551 -6.573) 16.471 5.041 ( -4.744 -2.739 -0.549) 5.505 5.099 ( 0.052 0.030 0.147) 0.159 6.710 ( -17.534 -10.123 0.108) 20.247 6.993 ( -2.981 -1.721 -1.645) 3.815 7.051 ( 2.212 1.277 3.350) 4.213 8.053 ( 1.217 0.702 1.479) 2.040 8.431 ( 24.341 14.053 -1.769) 28.163 10.156 ( -18.474 -10.666 -0.745) 21.345 19.837 ( -0.045 -0.026 0.569) 0.572 19.838 ( -0.209 -0.121 -0.672) 0.714 19.976 ( 0.319 0.184 0.321) 0.488 19.989 ( 1.494 0.863 -0.160) 1.733 24.822 ( -1.709 -0.987 0.063) 1.974 25.097 ( -1.215 -0.702 -0.004) 1.404 32.390 ( -2.332 -1.347 0.393) 2.722 32.391 ( -1.571 -0.907 -0.396) 1.857 41.985 ( -3.215 -1.856 -4.326) 5.701 42.229 ( 16.013 9.245 9.391) 20.738 42.400 ( 1.570 0.906 4.438) 4.794 42.631 ( 21.233 12.259 -10.422) 26.641=================== 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 3/43923 10.0 334.783 334.783 538.842 0.000 -0.000 0.000 3/43923 20.0 85.241 85.241 108.095 0.000 -0.000 0.000 3/43923 30.0 35.865 35.865 39.077 0.000 -0.000 0.000 3/43923 40.0 20.507 20.507 20.348 0.000 -0.000 0.000 3/43923 50.0 14.123 14.123 13.054 0.000 -0.000 0.000 3/43923 60.0 10.777 10.777 9.460 0.000 -0.000 0.000 3/43923 70.0 8.744 8.744 7.390 0.000 -0.000 0.000 3/43923 80.0 7.382 7.382 6.064 0.000 -0.000 0.000 3/43923 90.0 6.408 6.408 5.148 0.000 -0.000 0.000 3/43923 100.0 5.676 5.676 4.479 0.000 -0.000 0.000 3/43923 110.0 5.104 5.104 3.970 0.000 -0.000 0.000 3/43923 120.0 4.643 4.643 3.569 0.000 -0.000 0.000 3/43923 130.0 4.264 4.264 3.245 0.000 -0.000 0.000 3/43923 140.0 3.946 3.946 2.978 0.000 -0.000 0.000 3/43923 150.0 3.675 3.675 2.753 0.000 -0.000 0.000 3/43923 160.0 3.441 3.441 2.561 0.000 -0.000 0.000 3/43923 170.0 3.236 3.236 2.396 0.000 -0.000 0.000 3/43923 180.0 3.056 3.056 2.253 0.000 -0.000 0.000 3/43923 190.0 2.896 2.896 2.127 0.000 -0.000 0.000 3/43923 200.0 2.754 2.754 2.016 0.000 -0.000 0.000 3/43923 210.0 2.626 2.626 1.917 0.000 -0.000 0.000 3/43923 220.0 2.510 2.510 1.830 0.000 -0.000 0.000 3/43923 230.0 2.406 2.406 1.752 0.000 -0.000 0.000 3/43923 240.0 2.311 2.311 1.682 0.000 -0.000 0.000 3/43923 250.0 2.225 2.225 1.620 0.000 -0.000 0.000 3/43923 260.0 2.147 2.147 1.564 0.000 -0.000 0.000 3/43923 270.0 2.075 2.075 1.514 0.000 -0.000 0.000 3/43923 280.0 2.009 2.009 1.470 0.000 -0.000 0.000 3/43923 290.0 1.949 1.949 1.430 0.000 -0.000 0.000 3/43923 300.0 1.894 1.894 1.394 0.000 -0.000 0.000 3/43923 310.0 1.843 1.843 1.362 0.000 -0.000 0.000 3/43923 320.0 1.796 1.796 1.333 0.000 -0.000 0.000 3/43923 330.0 1.752 1.752 1.308 0.000 -0.000 0.000 3/43923 340.0 1.712 1.712 1.285 0.000 -0.000 0.000 3/43923 350.0 1.674 1.674 1.264 0.000 -0.000 0.000 3/43923 360.0 1.639 1.639 1.246 0.000 -0.000 0.000 3/43923 370.0 1.607 1.607 1.230 0.000 -0.000 0.000 3/43923 380.0 1.577 1.577 1.215 0.000 -0.000 0.000 3/43923 390.0 1.548 1.548 1.201 0.000 -0.000 0.000 3/43923 400.0 1.521 1.521 1.189 0.000 -0.000 0.000 3/43923 410.0 1.496 1.496 1.178 0.000 -0.000 0.000 3/43923 420.0 1.473 1.473 1.168 0.000 -0.000 0.000 3/43923 430.0 1.450 1.450 1.159 0.000 -0.000 0.000 3/43923 440.0 1.429 1.429 1.151 0.000 -0.000 0.000 3/43923 450.0 1.409 1.409 1.143 0.000 -0.000 0.000 3/43923 460.0 1.390 1.390 1.136 0.000 -0.000 0.000 3/43923 470.0 1.372 1.372 1.130 0.000 -0.000 0.000 3/43923 480.0 1.354 1.354 1.123 0.000 -0.000 0.000 3/43923 490.0 1.337 1.337 1.117 0.000 -0.000 0.000 3/43923 500.0 1.321 1.321 1.112 0.000 -0.000 0.000 3/43923 510.0 1.306 1.306 1.106 0.000 -0.000 0.000 3/43923 520.0 1.291 1.291 1.101 0.000 -0.000 0.000 3/43923 530.0 1.277 1.277 1.096 0.000 -0.000 0.000 3/43923 540.0 1.263 1.263 1.091 0.000 -0.000 0.000 3/43923 550.0 1.250 1.250 1.086 0.000 -0.000 0.000 3/43923 560.0 1.237 1.237 1.082 0.000 -0.000 0.000 3/43923 570.0 1.224 1.224 1.077 0.000 -0.000 0.000 3/43923 580.0 1.212 1.212 1.073 0.000 -0.000 0.000 3/43923 590.0 1.200 1.200 1.068 0.000 -0.000 0.000 3/43923 600.0 1.188 1.188 1.063 0.000 -0.000 0.000 3/43923 610.0 1.177 1.177 1.059 0.000 -0.000 0.000 3/43923 620.0 1.166 1.166 1.054 0.000 -0.000 0.000 3/43923 630.0 1.155 1.155 1.050 0.000 -0.000 0.000 3/43923 640.0 1.144 1.144 1.045 0.000 -0.000 0.000 3/43923 650.0 1.134 1.134 1.041 0.000 -0.000 0.000 3/43923 660.0 1.124 1.124 1.036 0.000 -0.000 0.000 3/43923 670.0 1.114 1.114 1.032 0.000 -0.000 0.000 3/43923 680.0 1.104 1.104 1.027 0.000 -0.000 0.000 3/43923 690.0 1.094 1.094 1.022 0.000 -0.000 0.000 3/43923 700.0 1.085 1.085 1.018 0.000 -0.000 0.000 3/43923 710.0 1.075 1.075 1.013 0.000 -0.000 0.000 3/43923 720.0 1.066 1.066 1.008 0.000 -0.000 0.000 3/43923 730.0 1.057 1.057 1.003 0.000 -0.000 0.000 3/43923 740.0 1.049 1.049 0.999 0.000 -0.000 0.000 3/43923 750.0 1.040 1.040 0.994 0.000 -0.000 0.000 3/43923 760.0 1.031 1.031 0.989 0.000 -0.000 0.000 3/43923 770.0 1.023 1.023 0.984 0.000 -0.000 0.000 3/43923 780.0 1.015 1.015 0.980 0.000 -0.000 0.000 3/43923 790.0 1.007 1.007 0.975 0.000 -0.000 0.000 3/43923 800.0 0.999 0.999 0.970 0.000 -0.000 0.000 3/43923 810.0 0.991 0.991 0.965 0.000 -0.000 0.000 3/43923 820.0 0.983 0.983 0.960 0.000 -0.000 0.000 3/43923 830.0 0.975 0.975 0.955 0.000 -0.000 0.000 3/43923 840.0 0.968 0.968 0.950 0.000 -0.000 0.000 3/43923 850.0 0.960 0.960 0.945 0.000 -0.000 0.000 3/43923 860.0 0.953 0.953 0.941 0.000 -0.000 0.000 3/43923 870.0 0.946 0.946 0.936 0.000 -0.000 0.000 3/43923 880.0 0.939 0.939 0.931 0.000 -0.000 0.000 3/43923 890.0 0.931 0.931 0.926 0.000 -0.000 0.000 3/43923 900.0 0.924 0.924 0.921 0.000 -0.000 0.000 3/43923 910.0 0.918 0.918 0.916 0.000 -0.000 0.000 3/43923 920.0 0.911 0.911 0.911 0.000 -0.000 0.000 3/43923 930.0 0.904 0.904 0.907 0.000 -0.000 0.000 3/43923 940.0 0.898 0.898 0.902 0.000 -0.000 0.000 3/43923 950.0 0.891 0.891 0.897 0.000 -0.000 0.000 3/43923 960.0 0.885 0.885 0.892 0.000 -0.000 0.000 3/43923 970.0 0.878 0.878 0.887 0.000 -0.000 0.000 3/43923 980.0 0.872 0.872 0.883 0.000 -0.000 0.000 3/43923 990.0 0.866 0.866 0.878 0.000 -0.000 0.000 3/43923 1000.0 0.860 0.860 0.873 0.000 -0.000 0.000 3/43923Thermal conductivity related properties were written into "kappa-m111111.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 21:46:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|