----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:29:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mbm (127) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.479894070000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.479894070000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.823744840000000 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 *3 O 0.64047252413865 0.14047252413865 0.25936557611965 15.999 4 O 0.35952747586135 0.85952747586135 0.25936557611965 15.999 5 O 0.14047252413865 0.35952747586135 0.25936557611965 15.999 6 O 0.85952747586135 0.64047252413865 0.25936557611965 15.999 7 O 0.64047252413865 0.14047252413865 0.74063442388035 15.999 8 O 0.85952747586135 0.64047252413865 0.74063442388035 15.999 9 O 0.35952747586135 0.85952747586135 0.74063442388035 15.999 10 O 0.14047252413865 0.35952747586135 0.74063442388035 15.999 *11 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 12 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 *13 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 14 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 *15 Dy 0.67316542213878 0.82683457786122 0.50000000000000 162.500 16 Dy 0.17316542213878 0.67316542213878 0.50000000000000 162.500 17 Dy 0.82683457786122 0.32683457786122 0.50000000000000 162.500 18 Dy 0.32683457786122 0.17316542213878 0.50000000000000 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.479894070000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.479894070000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.823744840000000 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 2 *3 O 0.64047252413865 0.14047252413865 0.25936557611965 15.999 > 3 4 O 0.35952747586135 0.85952747586135 0.25936557611965 15.999 > 4 5 O 0.14047252413865 0.35952747586135 0.25936557611965 15.999 > 5 6 O 0.85952747586135 0.64047252413865 0.25936557611965 15.999 > 6 7 O 0.64047252413865 0.14047252413865 0.74063442388035 15.999 > 7 8 O 0.85952747586135 0.64047252413865 0.74063442388035 15.999 > 8 9 O 0.35952747586135 0.85952747586135 0.74063442388035 15.999 > 9 10 O 0.14047252413865 0.35952747586135 0.74063442388035 15.999 > 10 *11 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 11 12 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 12 *13 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 13 14 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 14 *15 Dy 0.67316542213878 0.82683457786122 0.50000000000000 162.500 > 15 16 Dy 0.17316542213878 0.67316542213878 0.50000000000000 162.500 > 16 17 Dy 0.82683457786122 0.32683457786122 0.50000000000000 162.500 > 17 18 Dy 0.32683457786122 0.17316542213878 0.50000000000000 162.500 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.959788140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.959788140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.647489680000000 Atomic positions (fractional): *1 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 2 10 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 2 11 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 2 12 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 2 13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 2 14 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 2 15 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 2 16 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 2 *17 O 0.32023626206932 0.07023626206932 0.12968278805982 15.999 > 3 18 O 0.82023626206932 0.07023626206932 0.12968278805982 15.999 > 3 19 O 0.32023626206932 0.57023626206932 0.12968278805982 15.999 > 3 20 O 0.82023626206932 0.57023626206932 0.12968278805982 15.999 > 3 21 O 0.32023626206932 0.07023626206932 0.62968278805983 15.999 > 3 22 O 0.82023626206932 0.07023626206932 0.62968278805983 15.999 > 3 23 O 0.32023626206932 0.57023626206932 0.62968278805983 15.999 > 3 24 O 0.82023626206932 0.57023626206932 0.62968278805983 15.999 > 3 25 O 0.17976373793068 0.42976373793068 0.12968278805982 15.999 > 4 26 O 0.67976373793068 0.42976373793068 0.12968278805982 15.999 > 4 27 O 0.17976373793068 0.92976373793068 0.12968278805982 15.999 > 4 28 O 0.67976373793068 0.92976373793068 0.12968278805982 15.999 > 4 29 O 0.17976373793068 0.42976373793068 0.62968278805983 15.999 > 4 30 O 0.67976373793068 0.42976373793068 0.62968278805983 15.999 > 4 31 O 0.17976373793068 0.92976373793068 0.62968278805983 15.999 > 4 32 O 0.67976373793068 0.92976373793068 0.62968278805983 15.999 > 4 33 O 0.07023626206932 0.17976373793068 0.12968278805982 15.999 > 5 34 O 0.57023626206932 0.17976373793068 0.12968278805982 15.999 > 5 35 O 0.07023626206932 0.67976373793068 0.12968278805982 15.999 > 5 36 O 0.57023626206932 0.67976373793068 0.12968278805982 15.999 > 5 37 O 0.07023626206932 0.17976373793068 0.62968278805983 15.999 > 5 38 O 0.57023626206932 0.17976373793068 0.62968278805983 15.999 > 5 39 O 0.07023626206932 0.67976373793068 0.62968278805983 15.999 > 5 40 O 0.57023626206932 0.67976373793068 0.62968278805983 15.999 > 5 41 O 0.42976373793068 0.32023626206932 0.12968278805982 15.999 > 6 42 O 0.92976373793068 0.32023626206932 0.12968278805982 15.999 > 6 43 O 0.42976373793068 0.82023626206932 0.12968278805982 15.999 > 6 44 O 0.92976373793068 0.82023626206932 0.12968278805982 15.999 > 6 45 O 0.42976373793068 0.32023626206932 0.62968278805983 15.999 > 6 46 O 0.92976373793068 0.32023626206932 0.62968278805983 15.999 > 6 47 O 0.42976373793068 0.82023626206932 0.62968278805983 15.999 > 6 48 O 0.92976373793068 0.82023626206932 0.62968278805983 15.999 > 6 49 O 0.32023626206932 0.07023626206932 0.37031721194017 15.999 > 7 50 O 0.82023626206932 0.07023626206932 0.37031721194017 15.999 > 7 51 O 0.32023626206932 0.57023626206932 0.37031721194017 15.999 > 7 52 O 0.82023626206932 0.57023626206932 0.37031721194017 15.999 > 7 53 O 0.32023626206932 0.07023626206932 0.87031721194017 15.999 > 7 54 O 0.82023626206932 0.07023626206932 0.87031721194017 15.999 > 7 55 O 0.32023626206932 0.57023626206932 0.87031721194017 15.999 > 7 56 O 0.82023626206932 0.57023626206932 0.87031721194017 15.999 > 7 57 O 0.42976373793068 0.32023626206932 0.37031721194017 15.999 > 8 58 O 0.92976373793068 0.32023626206932 0.37031721194017 15.999 > 8 59 O 0.42976373793068 0.82023626206932 0.37031721194017 15.999 > 8 60 O 0.92976373793068 0.82023626206932 0.37031721194017 15.999 > 8 61 O 0.42976373793068 0.32023626206932 0.87031721194017 15.999 > 8 62 O 0.92976373793068 0.32023626206932 0.87031721194017 15.999 > 8 63 O 0.42976373793068 0.82023626206932 0.87031721194017 15.999 > 8 64 O 0.92976373793068 0.82023626206932 0.87031721194017 15.999 > 8 65 O 0.17976373793068 0.42976373793068 0.37031721194017 15.999 > 9 66 O 0.67976373793068 0.42976373793068 0.37031721194017 15.999 > 9 67 O 0.17976373793068 0.92976373793068 0.37031721194017 15.999 > 9 68 O 0.67976373793068 0.92976373793068 0.37031721194017 15.999 > 9 69 O 0.17976373793068 0.42976373793068 0.87031721194017 15.999 > 9 70 O 0.67976373793068 0.42976373793068 0.87031721194017 15.999 > 9 71 O 0.17976373793068 0.92976373793068 0.87031721194017 15.999 > 9 72 O 0.67976373793068 0.92976373793068 0.87031721194017 15.999 > 9 73 O 0.07023626206932 0.17976373793068 0.37031721194017 15.999 > 10 74 O 0.57023626206932 0.17976373793068 0.37031721194017 15.999 > 10 75 O 0.07023626206932 0.67976373793068 0.37031721194017 15.999 > 10 76 O 0.57023626206932 0.67976373793068 0.37031721194017 15.999 > 10 77 O 0.07023626206932 0.17976373793068 0.87031721194017 15.999 > 10 78 O 0.57023626206932 0.17976373793068 0.87031721194017 15.999 > 10 79 O 0.07023626206932 0.67976373793068 0.87031721194017 15.999 > 10 80 O 0.57023626206932 0.67976373793068 0.87031721194017 15.999 > 10 *81 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 11 82 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 11 83 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 11 84 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 11 85 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 11 86 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 11 87 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 11 88 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 11 89 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 12 90 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 12 91 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 12 92 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 12 93 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 12 94 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 12 95 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 12 96 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 12 *97 Ba 0.25000000000000 0.25000000000000 0.00000000000000 137.327 > 13 98 Ba 0.75000000000000 0.25000000000000 0.00000000000000 137.327 > 13 99 Ba 0.25000000000000 0.75000000000000 0.00000000000000 137.327 > 13 100 Ba 0.75000000000000 0.75000000000000 0.00000000000000 137.327 > 13 101 Ba 0.25000000000000 0.25000000000000 0.50000000000000 137.327 > 13 102 Ba 0.75000000000000 0.25000000000000 0.50000000000000 137.327 > 13 103 Ba 0.25000000000000 0.75000000000000 0.50000000000000 137.327 > 13 104 Ba 0.75000000000000 0.75000000000000 0.50000000000000 137.327 > 13 105 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 14 106 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 14 107 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 14 108 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 14 109 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 14 110 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 14 111 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 14 112 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 14 *113 Dy 0.33658271106939 0.41341728893061 0.25000000000000 162.500 > 15 114 Dy 0.83658271106939 0.41341728893061 0.25000000000000 162.500 > 15 115 Dy 0.33658271106939 0.91341728893061 0.25000000000000 162.500 > 15 116 Dy 0.83658271106939 0.91341728893061 0.25000000000000 162.500 > 15 117 Dy 0.33658271106939 0.41341728893061 0.75000000000000 162.500 > 15 118 Dy 0.83658271106939 0.41341728893061 0.75000000000000 162.500 > 15 119 Dy 0.33658271106939 0.91341728893061 0.75000000000000 162.500 > 15 120 Dy 0.83658271106939 0.91341728893061 0.75000000000000 162.500 > 15 121 Dy 0.08658271106939 0.33658271106939 0.25000000000000 162.500 > 16 122 Dy 0.58658271106939 0.33658271106939 0.25000000000000 162.500 > 16 123 Dy 0.08658271106939 0.83658271106939 0.25000000000000 162.500 > 16 124 Dy 0.58658271106939 0.83658271106939 0.25000000000000 162.500 > 16 125 Dy 0.08658271106939 0.33658271106939 0.75000000000000 162.500 > 16 126 Dy 0.58658271106939 0.33658271106939 0.75000000000000 162.500 > 16 127 Dy 0.08658271106939 0.83658271106939 0.75000000000000 162.500 > 16 128 Dy 0.58658271106939 0.83658271106939 0.75000000000000 162.500 > 16 129 Dy 0.41341728893061 0.16341728893061 0.25000000000000 162.500 > 17 130 Dy 0.91341728893061 0.16341728893061 0.25000000000000 162.500 > 17 131 Dy 0.41341728893061 0.66341728893061 0.25000000000000 162.500 > 17 132 Dy 0.91341728893061 0.66341728893061 0.25000000000000 162.500 > 17 133 Dy 0.41341728893061 0.16341728893061 0.75000000000000 162.500 > 17 134 Dy 0.91341728893061 0.16341728893061 0.75000000000000 162.500 > 17 135 Dy 0.41341728893061 0.66341728893061 0.75000000000000 162.500 > 17 136 Dy 0.91341728893061 0.66341728893061 0.75000000000000 162.500 > 17 137 Dy 0.16341728893061 0.08658271106939 0.25000000000000 162.500 > 18 138 Dy 0.66341728893061 0.08658271106939 0.25000000000000 162.500 > 18 139 Dy 0.16341728893061 0.58658271106939 0.25000000000000 162.500 > 18 140 Dy 0.66341728893061 0.58658271106939 0.25000000000000 162.500 > 18 141 Dy 0.16341728893061 0.08658271106939 0.75000000000000 162.500 > 18 142 Dy 0.66341728893061 0.08658271106939 0.75000000000000 162.500 > 18 143 Dy 0.16341728893061 0.58658271106939 0.75000000000000 162.500 > 18 144 Dy 0.66341728893061 0.58658271106939 0.75000000000000 162.500 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4287074 0.0000000 0.0000000 0.0000000 5.4287074 0.0000000 0.0000000 0.0000000 6.1244909 -------------------------- Born effective charges -------------------------- 1 O -2.9295576 -0.3418824 0.0000000 0.3418824 -2.9295576 0.0000000 0.0000000 0.0000000 -2.2431922 2 O -2.9295576 0.3418824 0.0000000 -0.3418824 -2.9295576 0.0000000 0.0000000 0.0000000 -2.2431922 3 O -2.1467029 -0.3129237 -0.3930419 -0.3129237 -2.1467029 -0.3930419 -0.6221685 -0.6221685 -2.8180884 4 O -2.1467029 -0.3129237 0.3930419 -0.3129237 -2.1467029 0.3930419 0.6221685 0.6221685 -2.8180884 5 O -2.1467029 0.3129237 -0.3930419 0.3129237 -2.1467029 0.3930419 -0.6221685 0.6221685 -2.8180884 6 O -2.1467029 0.3129237 0.3930419 0.3129237 -2.1467029 -0.3930419 0.6221685 -0.6221685 -2.8180884 7 O -2.1467029 -0.3129237 0.3930419 -0.3129237 -2.1467029 0.3930419 0.6221685 0.6221685 -2.8180884 8 O -2.1467029 0.3129237 -0.3930419 0.3129237 -2.1467029 0.3930419 -0.6221685 0.6221685 -2.8180884 9 O -2.1467029 -0.3129237 -0.3930419 -0.3129237 -2.1467029 -0.3930419 -0.6221685 -0.6221685 -2.8180884 10 O -2.1467029 0.3129237 0.3930419 0.3129237 -2.1467029 -0.3930419 0.6221685 -0.6221685 -2.8180884 11 Pd 0.1941607 0.9237298 0.0000000 0.9237298 0.1941607 0.0000000 0.0000000 0.0000000 2.4505581 12 Pd 0.1941607 -0.9237298 0.0000000 -0.9237298 0.1941607 0.0000000 0.0000000 0.0000000 2.4505581 13 Ba 2.9321000 0.0989041 0.0000000 -0.0989041 2.9321000 0.0000000 0.0000000 0.0000000 2.7442992 14 Ba 2.9321000 -0.0989041 0.0000000 0.0989041 2.9321000 0.0000000 0.0000000 0.0000000 2.7442992 15 Dy 4.1950542 -0.5156832 0.0000000 -0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 16 Dy 4.1950542 0.5156832 0.0000000 0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 17 Dy 4.1950542 0.5156832 0.0000000 0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 18 Dy 4.1950542 -0.5156832 0.0000000 -0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 858 Number of blocks in projector: 858 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 268 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (858, 841), data: False |-- (148, 143), data: True |-- (210, 205), data: True |-- (232, 227), data: True |-- (268, 266), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 160 - Time: 1.063 Solver_block: 160 / 160 - Time: 0.668 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.750 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 858 Number of blocks in projector: 858 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 268 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (858, 841), data: False |-- (148, 143), data: True |-- (210, 205), data: True |-- (232, 227), data: True |-- (268, 266), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:29:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:29:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mbm (127) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.479894070000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.479894070000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.823744840000000 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 3 O 0.64047252413865 0.14047252413865 0.25936557611965 15.999 4 O 0.35952747586135 0.85952747586135 0.25936557611965 15.999 5 O 0.14047252413865 0.35952747586135 0.25936557611965 15.999 6 O 0.85952747586135 0.64047252413865 0.25936557611965 15.999 7 O 0.64047252413865 0.14047252413865 0.74063442388035 15.999 8 O 0.85952747586135 0.64047252413865 0.74063442388035 15.999 9 O 0.35952747586135 0.85952747586135 0.74063442388035 15.999 10 O 0.14047252413865 0.35952747586135 0.74063442388035 15.999 11 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 12 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 13 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 14 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 15 Dy 0.67316542213878 0.82683457786122 0.50000000000000 162.500 16 Dy 0.17316542213878 0.67316542213878 0.50000000000000 162.500 17 Dy 0.82683457786122 0.32683457786122 0.50000000000000 162.500 18 Dy 0.32683457786122 0.17316542213878 0.50000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.959788140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.959788140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.647489680000000 Atomic positions (fractional): 1 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 9 11 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 9 12 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 9 14 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 9 15 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 9 16 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 9 17 O 0.32023626206932 0.07023626206932 0.12968278805982 15.999 > 17 18 O 0.82023626206932 0.07023626206932 0.12968278805982 15.999 > 17 19 O 0.32023626206932 0.57023626206932 0.12968278805982 15.999 > 17 20 O 0.82023626206932 0.57023626206932 0.12968278805982 15.999 > 17 21 O 0.32023626206932 0.07023626206932 0.62968278805983 15.999 > 17 22 O 0.82023626206932 0.07023626206932 0.62968278805983 15.999 > 17 23 O 0.32023626206932 0.57023626206932 0.62968278805983 15.999 > 17 24 O 0.82023626206932 0.57023626206932 0.62968278805983 15.999 > 17 25 O 0.17976373793068 0.42976373793068 0.12968278805982 15.999 > 25 26 O 0.67976373793068 0.42976373793068 0.12968278805982 15.999 > 25 27 O 0.17976373793068 0.92976373793068 0.12968278805982 15.999 > 25 28 O 0.67976373793068 0.92976373793068 0.12968278805982 15.999 > 25 29 O 0.17976373793068 0.42976373793068 0.62968278805983 15.999 > 25 30 O 0.67976373793068 0.42976373793068 0.62968278805983 15.999 > 25 31 O 0.17976373793068 0.92976373793068 0.62968278805983 15.999 > 25 32 O 0.67976373793068 0.92976373793068 0.62968278805983 15.999 > 25 33 O 0.07023626206932 0.17976373793068 0.12968278805982 15.999 > 33 34 O 0.57023626206932 0.17976373793068 0.12968278805982 15.999 > 33 35 O 0.07023626206932 0.67976373793068 0.12968278805982 15.999 > 33 36 O 0.57023626206932 0.67976373793068 0.12968278805982 15.999 > 33 37 O 0.07023626206932 0.17976373793068 0.62968278805983 15.999 > 33 38 O 0.57023626206932 0.17976373793068 0.62968278805983 15.999 > 33 39 O 0.07023626206932 0.67976373793068 0.62968278805983 15.999 > 33 40 O 0.57023626206932 0.67976373793068 0.62968278805983 15.999 > 33 41 O 0.42976373793068 0.32023626206932 0.12968278805982 15.999 > 41 42 O 0.92976373793068 0.32023626206932 0.12968278805982 15.999 > 41 43 O 0.42976373793068 0.82023626206932 0.12968278805982 15.999 > 41 44 O 0.92976373793068 0.82023626206932 0.12968278805982 15.999 > 41 45 O 0.42976373793068 0.32023626206932 0.62968278805983 15.999 > 41 46 O 0.92976373793068 0.32023626206932 0.62968278805983 15.999 > 41 47 O 0.42976373793068 0.82023626206932 0.62968278805983 15.999 > 41 48 O 0.92976373793068 0.82023626206932 0.62968278805983 15.999 > 41 49 O 0.32023626206932 0.07023626206932 0.37031721194017 15.999 > 49 50 O 0.82023626206932 0.07023626206932 0.37031721194017 15.999 > 49 51 O 0.32023626206932 0.57023626206932 0.37031721194017 15.999 > 49 52 O 0.82023626206932 0.57023626206932 0.37031721194017 15.999 > 49 53 O 0.32023626206932 0.07023626206932 0.87031721194017 15.999 > 49 54 O 0.82023626206932 0.07023626206932 0.87031721194017 15.999 > 49 55 O 0.32023626206932 0.57023626206932 0.87031721194017 15.999 > 49 56 O 0.82023626206932 0.57023626206932 0.87031721194017 15.999 > 49 57 O 0.42976373793068 0.32023626206932 0.37031721194017 15.999 > 57 58 O 0.92976373793068 0.32023626206932 0.37031721194017 15.999 > 57 59 O 0.42976373793068 0.82023626206932 0.37031721194017 15.999 > 57 60 O 0.92976373793068 0.82023626206932 0.37031721194017 15.999 > 57 61 O 0.42976373793068 0.32023626206932 0.87031721194017 15.999 > 57 62 O 0.92976373793068 0.32023626206932 0.87031721194017 15.999 > 57 63 O 0.42976373793068 0.82023626206932 0.87031721194017 15.999 > 57 64 O 0.92976373793068 0.82023626206932 0.87031721194017 15.999 > 57 65 O 0.17976373793068 0.42976373793068 0.37031721194017 15.999 > 65 66 O 0.67976373793068 0.42976373793068 0.37031721194017 15.999 > 65 67 O 0.17976373793068 0.92976373793068 0.37031721194017 15.999 > 65 68 O 0.67976373793068 0.92976373793068 0.37031721194017 15.999 > 65 69 O 0.17976373793068 0.42976373793068 0.87031721194017 15.999 > 65 70 O 0.67976373793068 0.42976373793068 0.87031721194017 15.999 > 65 71 O 0.17976373793068 0.92976373793068 0.87031721194017 15.999 > 65 72 O 0.67976373793068 0.92976373793068 0.87031721194017 15.999 > 65 73 O 0.07023626206932 0.17976373793068 0.37031721194017 15.999 > 73 74 O 0.57023626206932 0.17976373793068 0.37031721194017 15.999 > 73 75 O 0.07023626206932 0.67976373793068 0.37031721194017 15.999 > 73 76 O 0.57023626206932 0.67976373793068 0.37031721194017 15.999 > 73 77 O 0.07023626206932 0.17976373793068 0.87031721194017 15.999 > 73 78 O 0.57023626206932 0.17976373793068 0.87031721194017 15.999 > 73 79 O 0.07023626206932 0.67976373793068 0.87031721194017 15.999 > 73 80 O 0.57023626206932 0.67976373793068 0.87031721194017 15.999 > 73 81 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 81 82 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 81 83 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 81 84 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 81 85 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 81 86 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 81 87 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 81 88 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 81 89 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 89 90 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 89 91 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 89 92 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 89 93 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 89 94 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 89 95 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 89 96 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 89 97 Ba 0.25000000000000 0.25000000000000 0.00000000000000 137.327 > 97 98 Ba 0.75000000000000 0.25000000000000 0.00000000000000 137.327 > 97 99 Ba 0.25000000000000 0.75000000000000 0.00000000000000 137.327 > 97 100 Ba 0.75000000000000 0.75000000000000 0.00000000000000 137.327 > 97 101 Ba 0.25000000000000 0.25000000000000 0.50000000000000 137.327 > 97 102 Ba 0.75000000000000 0.25000000000000 0.50000000000000 137.327 > 97 103 Ba 0.25000000000000 0.75000000000000 0.50000000000000 137.327 > 97 104 Ba 0.75000000000000 0.75000000000000 0.50000000000000 137.327 > 97 105 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 105 106 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 105 107 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 105 108 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 105 109 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 105 110 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 105 111 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 105 112 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 105 113 Dy 0.33658271106939 0.41341728893061 0.25000000000000 162.500 > 113 114 Dy 0.83658271106939 0.41341728893061 0.25000000000000 162.500 > 113 115 Dy 0.33658271106939 0.91341728893061 0.25000000000000 162.500 > 113 116 Dy 0.83658271106939 0.91341728893061 0.25000000000000 162.500 > 113 117 Dy 0.33658271106939 0.41341728893061 0.75000000000000 162.500 > 113 118 Dy 0.83658271106939 0.41341728893061 0.75000000000000 162.500 > 113 119 Dy 0.33658271106939 0.91341728893061 0.75000000000000 162.500 > 113 120 Dy 0.83658271106939 0.91341728893061 0.75000000000000 162.500 > 113 121 Dy 0.08658271106939 0.33658271106939 0.25000000000000 162.500 > 121 122 Dy 0.58658271106939 0.33658271106939 0.25000000000000 162.500 > 121 123 Dy 0.08658271106939 0.83658271106939 0.25000000000000 162.500 > 121 124 Dy 0.58658271106939 0.83658271106939 0.25000000000000 162.500 > 121 125 Dy 0.08658271106939 0.33658271106939 0.75000000000000 162.500 > 121 126 Dy 0.58658271106939 0.33658271106939 0.75000000000000 162.500 > 121 127 Dy 0.08658271106939 0.83658271106939 0.75000000000000 162.500 > 121 128 Dy 0.58658271106939 0.83658271106939 0.75000000000000 162.500 > 121 129 Dy 0.41341728893061 0.16341728893061 0.25000000000000 162.500 > 129 130 Dy 0.91341728893061 0.16341728893061 0.25000000000000 162.500 > 129 131 Dy 0.41341728893061 0.66341728893061 0.25000000000000 162.500 > 129 132 Dy 0.91341728893061 0.66341728893061 0.25000000000000 162.500 > 129 133 Dy 0.41341728893061 0.16341728893061 0.75000000000000 162.500 > 129 134 Dy 0.91341728893061 0.16341728893061 0.75000000000000 162.500 > 129 135 Dy 0.41341728893061 0.66341728893061 0.75000000000000 162.500 > 129 136 Dy 0.91341728893061 0.66341728893061 0.75000000000000 162.500 > 129 137 Dy 0.16341728893061 0.08658271106939 0.25000000000000 162.500 > 137 138 Dy 0.66341728893061 0.08658271106939 0.25000000000000 162.500 > 137 139 Dy 0.16341728893061 0.58658271106939 0.25000000000000 162.500 > 137 140 Dy 0.66341728893061 0.58658271106939 0.25000000000000 162.500 > 137 141 Dy 0.16341728893061 0.08658271106939 0.75000000000000 162.500 > 137 142 Dy 0.66341728893061 0.08658271106939 0.75000000000000 162.500 > 137 143 Dy 0.16341728893061 0.58658271106939 0.75000000000000 162.500 > 137 144 Dy 0.66341728893061 0.58658271106939 0.75000000000000 162.500 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4287074 0.0000000 0.0000000 0.0000000 5.4287074 0.0000000 0.0000000 0.0000000 6.1244909 -------------------------- Born effective charges -------------------------- 1 O -2.9295576 -0.3418824 0.0000000 0.3418824 -2.9295576 0.0000000 0.0000000 0.0000000 -2.2431922 2 O -2.9295576 0.3418824 0.0000000 -0.3418824 -2.9295576 0.0000000 0.0000000 0.0000000 -2.2431922 3 O -2.1467029 -0.3129237 -0.3930419 -0.3129237 -2.1467029 -0.3930419 -0.6221685 -0.6221685 -2.8180884 4 O -2.1467029 -0.3129237 0.3930419 -0.3129237 -2.1467029 0.3930419 0.6221685 0.6221685 -2.8180884 5 O -2.1467029 0.3129237 -0.3930419 0.3129237 -2.1467029 0.3930419 -0.6221685 0.6221685 -2.8180884 6 O -2.1467029 0.3129237 0.3930419 0.3129237 -2.1467029 -0.3930419 0.6221685 -0.6221685 -2.8180884 7 O -2.1467029 -0.3129237 0.3930419 -0.3129237 -2.1467029 0.3930419 0.6221685 0.6221685 -2.8180884 8 O -2.1467029 0.3129237 -0.3930419 0.3129237 -2.1467029 0.3930419 -0.6221685 0.6221685 -2.8180884 9 O -2.1467029 -0.3129237 -0.3930419 -0.3129237 -2.1467029 -0.3930419 -0.6221685 -0.6221685 -2.8180884 10 O -2.1467029 0.3129237 0.3930419 0.3129237 -2.1467029 -0.3930419 0.6221685 -0.6221685 -2.8180884 11 Pd 0.1941607 0.9237298 0.0000000 0.9237298 0.1941607 0.0000000 0.0000000 0.0000000 2.4505581 12 Pd 0.1941607 -0.9237298 0.0000000 -0.9237298 0.1941607 0.0000000 0.0000000 0.0000000 2.4505581 13 Ba 2.9321000 0.0989041 0.0000000 -0.0989041 2.9321000 0.0000000 0.0000000 0.0000000 2.7442992 14 Ba 2.9321000 -0.0989041 0.0000000 0.0989041 2.9321000 0.0000000 0.0000000 0.0000000 2.7442992 15 Dy 4.1950542 -0.5156832 0.0000000 -0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 16 Dy 4.1950542 0.5156832 0.0000000 0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 17 Dy 4.1950542 0.5156832 0.0000000 0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 18 Dy 4.1950542 -0.5156832 0.0000000 -0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (yx) 0.00000005 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:30:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:30:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mbm (127) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.479894070000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.479894070000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.823744840000000 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 3 O 0.64047252413865 0.14047252413865 0.25936557611965 15.999 4 O 0.35952747586135 0.85952747586135 0.25936557611965 15.999 5 O 0.14047252413865 0.35952747586135 0.25936557611965 15.999 6 O 0.85952747586135 0.64047252413865 0.25936557611965 15.999 7 O 0.64047252413865 0.14047252413865 0.74063442388035 15.999 8 O 0.85952747586135 0.64047252413865 0.74063442388035 15.999 9 O 0.35952747586135 0.85952747586135 0.74063442388035 15.999 10 O 0.14047252413865 0.35952747586135 0.74063442388035 15.999 11 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 12 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 13 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 14 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 15 Dy 0.67316542213878 0.82683457786122 0.50000000000000 162.500 16 Dy 0.17316542213878 0.67316542213878 0.50000000000000 162.500 17 Dy 0.82683457786122 0.32683457786122 0.50000000000000 162.500 18 Dy 0.32683457786122 0.17316542213878 0.50000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.959788140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.959788140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.647489680000000 Atomic positions (fractional): 1 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 9 11 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 9 12 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 9 14 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 9 15 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 9 16 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 9 17 O 0.32023626206932 0.07023626206932 0.12968278805982 15.999 > 17 18 O 0.82023626206932 0.07023626206932 0.12968278805982 15.999 > 17 19 O 0.32023626206932 0.57023626206932 0.12968278805982 15.999 > 17 20 O 0.82023626206932 0.57023626206932 0.12968278805982 15.999 > 17 21 O 0.32023626206932 0.07023626206932 0.62968278805983 15.999 > 17 22 O 0.82023626206932 0.07023626206932 0.62968278805983 15.999 > 17 23 O 0.32023626206932 0.57023626206932 0.62968278805983 15.999 > 17 24 O 0.82023626206932 0.57023626206932 0.62968278805983 15.999 > 17 25 O 0.17976373793068 0.42976373793068 0.12968278805982 15.999 > 25 26 O 0.67976373793068 0.42976373793068 0.12968278805982 15.999 > 25 27 O 0.17976373793068 0.92976373793068 0.12968278805982 15.999 > 25 28 O 0.67976373793068 0.92976373793068 0.12968278805982 15.999 > 25 29 O 0.17976373793068 0.42976373793068 0.62968278805983 15.999 > 25 30 O 0.67976373793068 0.42976373793068 0.62968278805983 15.999 > 25 31 O 0.17976373793068 0.92976373793068 0.62968278805983 15.999 > 25 32 O 0.67976373793068 0.92976373793068 0.62968278805983 15.999 > 25 33 O 0.07023626206932 0.17976373793068 0.12968278805982 15.999 > 33 34 O 0.57023626206932 0.17976373793068 0.12968278805982 15.999 > 33 35 O 0.07023626206932 0.67976373793068 0.12968278805982 15.999 > 33 36 O 0.57023626206932 0.67976373793068 0.12968278805982 15.999 > 33 37 O 0.07023626206932 0.17976373793068 0.62968278805983 15.999 > 33 38 O 0.57023626206932 0.17976373793068 0.62968278805983 15.999 > 33 39 O 0.07023626206932 0.67976373793068 0.62968278805983 15.999 > 33 40 O 0.57023626206932 0.67976373793068 0.62968278805983 15.999 > 33 41 O 0.42976373793068 0.32023626206932 0.12968278805982 15.999 > 41 42 O 0.92976373793068 0.32023626206932 0.12968278805982 15.999 > 41 43 O 0.42976373793068 0.82023626206932 0.12968278805982 15.999 > 41 44 O 0.92976373793068 0.82023626206932 0.12968278805982 15.999 > 41 45 O 0.42976373793068 0.32023626206932 0.62968278805983 15.999 > 41 46 O 0.92976373793068 0.32023626206932 0.62968278805983 15.999 > 41 47 O 0.42976373793068 0.82023626206932 0.62968278805983 15.999 > 41 48 O 0.92976373793068 0.82023626206932 0.62968278805983 15.999 > 41 49 O 0.32023626206932 0.07023626206932 0.37031721194017 15.999 > 49 50 O 0.82023626206932 0.07023626206932 0.37031721194017 15.999 > 49 51 O 0.32023626206932 0.57023626206932 0.37031721194017 15.999 > 49 52 O 0.82023626206932 0.57023626206932 0.37031721194017 15.999 > 49 53 O 0.32023626206932 0.07023626206932 0.87031721194017 15.999 > 49 54 O 0.82023626206932 0.07023626206932 0.87031721194017 15.999 > 49 55 O 0.32023626206932 0.57023626206932 0.87031721194017 15.999 > 49 56 O 0.82023626206932 0.57023626206932 0.87031721194017 15.999 > 49 57 O 0.42976373793068 0.32023626206932 0.37031721194017 15.999 > 57 58 O 0.92976373793068 0.32023626206932 0.37031721194017 15.999 > 57 59 O 0.42976373793068 0.82023626206932 0.37031721194017 15.999 > 57 60 O 0.92976373793068 0.82023626206932 0.37031721194017 15.999 > 57 61 O 0.42976373793068 0.32023626206932 0.87031721194017 15.999 > 57 62 O 0.92976373793068 0.32023626206932 0.87031721194017 15.999 > 57 63 O 0.42976373793068 0.82023626206932 0.87031721194017 15.999 > 57 64 O 0.92976373793068 0.82023626206932 0.87031721194017 15.999 > 57 65 O 0.17976373793068 0.42976373793068 0.37031721194017 15.999 > 65 66 O 0.67976373793068 0.42976373793068 0.37031721194017 15.999 > 65 67 O 0.17976373793068 0.92976373793068 0.37031721194017 15.999 > 65 68 O 0.67976373793068 0.92976373793068 0.37031721194017 15.999 > 65 69 O 0.17976373793068 0.42976373793068 0.87031721194017 15.999 > 65 70 O 0.67976373793068 0.42976373793068 0.87031721194017 15.999 > 65 71 O 0.17976373793068 0.92976373793068 0.87031721194017 15.999 > 65 72 O 0.67976373793068 0.92976373793068 0.87031721194017 15.999 > 65 73 O 0.07023626206932 0.17976373793068 0.37031721194017 15.999 > 73 74 O 0.57023626206932 0.17976373793068 0.37031721194017 15.999 > 73 75 O 0.07023626206932 0.67976373793068 0.37031721194017 15.999 > 73 76 O 0.57023626206932 0.67976373793068 0.37031721194017 15.999 > 73 77 O 0.07023626206932 0.17976373793068 0.87031721194017 15.999 > 73 78 O 0.57023626206932 0.17976373793068 0.87031721194017 15.999 > 73 79 O 0.07023626206932 0.67976373793068 0.87031721194017 15.999 > 73 80 O 0.57023626206932 0.67976373793068 0.87031721194017 15.999 > 73 81 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 81 82 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 81 83 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 81 84 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 81 85 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 81 86 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 81 87 Pd 0.25000000000000 0.50000000000000 0.50000000000000 106.420 > 81 88 Pd 0.75000000000000 0.50000000000000 0.50000000000000 106.420 > 81 89 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 89 90 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 89 91 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 89 92 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 89 93 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 89 94 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 89 95 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 89 96 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 89 97 Ba 0.25000000000000 0.25000000000000 0.00000000000000 137.327 > 97 98 Ba 0.75000000000000 0.25000000000000 0.00000000000000 137.327 > 97 99 Ba 0.25000000000000 0.75000000000000 0.00000000000000 137.327 > 97 100 Ba 0.75000000000000 0.75000000000000 0.00000000000000 137.327 > 97 101 Ba 0.25000000000000 0.25000000000000 0.50000000000000 137.327 > 97 102 Ba 0.75000000000000 0.25000000000000 0.50000000000000 137.327 > 97 103 Ba 0.25000000000000 0.75000000000000 0.50000000000000 137.327 > 97 104 Ba 0.75000000000000 0.75000000000000 0.50000000000000 137.327 > 97 105 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 105 106 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 105 107 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 105 108 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 105 109 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 105 110 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 105 111 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 105 112 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 105 113 Dy 0.33658271106939 0.41341728893061 0.25000000000000 162.500 > 113 114 Dy 0.83658271106939 0.41341728893061 0.25000000000000 162.500 > 113 115 Dy 0.33658271106939 0.91341728893061 0.25000000000000 162.500 > 113 116 Dy 0.83658271106939 0.91341728893061 0.25000000000000 162.500 > 113 117 Dy 0.33658271106939 0.41341728893061 0.75000000000000 162.500 > 113 118 Dy 0.83658271106939 0.41341728893061 0.75000000000000 162.500 > 113 119 Dy 0.33658271106939 0.91341728893061 0.75000000000000 162.500 > 113 120 Dy 0.83658271106939 0.91341728893061 0.75000000000000 162.500 > 113 121 Dy 0.08658271106939 0.33658271106939 0.25000000000000 162.500 > 121 122 Dy 0.58658271106939 0.33658271106939 0.25000000000000 162.500 > 121 123 Dy 0.08658271106939 0.83658271106939 0.25000000000000 162.500 > 121 124 Dy 0.58658271106939 0.83658271106939 0.25000000000000 162.500 > 121 125 Dy 0.08658271106939 0.33658271106939 0.75000000000000 162.500 > 121 126 Dy 0.58658271106939 0.33658271106939 0.75000000000000 162.500 > 121 127 Dy 0.08658271106939 0.83658271106939 0.75000000000000 162.500 > 121 128 Dy 0.58658271106939 0.83658271106939 0.75000000000000 162.500 > 121 129 Dy 0.41341728893061 0.16341728893061 0.25000000000000 162.500 > 129 130 Dy 0.91341728893061 0.16341728893061 0.25000000000000 162.500 > 129 131 Dy 0.41341728893061 0.66341728893061 0.25000000000000 162.500 > 129 132 Dy 0.91341728893061 0.66341728893061 0.25000000000000 162.500 > 129 133 Dy 0.41341728893061 0.16341728893061 0.75000000000000 162.500 > 129 134 Dy 0.91341728893061 0.16341728893061 0.75000000000000 162.500 > 129 135 Dy 0.41341728893061 0.66341728893061 0.75000000000000 162.500 > 129 136 Dy 0.91341728893061 0.66341728893061 0.75000000000000 162.500 > 129 137 Dy 0.16341728893061 0.08658271106939 0.25000000000000 162.500 > 137 138 Dy 0.66341728893061 0.08658271106939 0.25000000000000 162.500 > 137 139 Dy 0.16341728893061 0.58658271106939 0.25000000000000 162.500 > 137 140 Dy 0.66341728893061 0.58658271106939 0.25000000000000 162.500 > 137 141 Dy 0.16341728893061 0.08658271106939 0.75000000000000 162.500 > 137 142 Dy 0.66341728893061 0.08658271106939 0.75000000000000 162.500 > 137 143 Dy 0.16341728893061 0.58658271106939 0.75000000000000 162.500 > 137 144 Dy 0.66341728893061 0.58658271106939 0.75000000000000 162.500 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4287074 0.0000000 0.0000000 0.0000000 5.4287074 0.0000000 0.0000000 0.0000000 6.1244909 -------------------------- Born effective charges -------------------------- 1 O -2.9295576 -0.3418824 0.0000000 0.3418824 -2.9295576 0.0000000 0.0000000 0.0000000 -2.2431922 2 O -2.9295576 0.3418824 0.0000000 -0.3418824 -2.9295576 0.0000000 0.0000000 0.0000000 -2.2431922 3 O -2.1467029 -0.3129237 -0.3930419 -0.3129237 -2.1467029 -0.3930419 -0.6221685 -0.6221685 -2.8180884 4 O -2.1467029 -0.3129237 0.3930419 -0.3129237 -2.1467029 0.3930419 0.6221685 0.6221685 -2.8180884 5 O -2.1467029 0.3129237 -0.3930419 0.3129237 -2.1467029 0.3930419 -0.6221685 0.6221685 -2.8180884 6 O -2.1467029 0.3129237 0.3930419 0.3129237 -2.1467029 -0.3930419 0.6221685 -0.6221685 -2.8180884 7 O -2.1467029 -0.3129237 0.3930419 -0.3129237 -2.1467029 0.3930419 0.6221685 0.6221685 -2.8180884 8 O -2.1467029 0.3129237 -0.3930419 0.3129237 -2.1467029 0.3930419 -0.6221685 0.6221685 -2.8180884 9 O -2.1467029 -0.3129237 -0.3930419 -0.3129237 -2.1467029 -0.3930419 -0.6221685 -0.6221685 -2.8180884 10 O -2.1467029 0.3129237 0.3930419 0.3129237 -2.1467029 -0.3930419 0.6221685 -0.6221685 -2.8180884 11 Pd 0.1941607 0.9237298 0.0000000 0.9237298 0.1941607 0.0000000 0.0000000 0.0000000 2.4505581 12 Pd 0.1941607 -0.9237298 0.0000000 -0.9237298 0.1941607 0.0000000 0.0000000 0.0000000 2.4505581 13 Ba 2.9321000 0.0989041 0.0000000 -0.0989041 2.9321000 0.0000000 0.0000000 0.0000000 2.7442992 14 Ba 2.9321000 -0.0989041 0.0000000 0.0989041 2.9321000 0.0000000 0.0000000 0.0000000 2.7442992 15 Dy 4.1950542 -0.5156832 0.0000000 -0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 16 Dy 4.1950542 0.5156832 0.0000000 0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 17 Dy 4.1950542 0.5156832 0.0000000 0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 18 Dy 4.1950542 -0.5156832 0.0000000 -0.5156832 4.1950542 0.0000000 0.0000000 0.0000000 4.1603442 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (zzz) -0.00000004 (zzz) -0.00000004 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 9 ] 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: 0.66, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.817 ( 0.000 0.000 0.000) 0.000 6.817 ( 0.000 0.000 0.000) 0.000 7.086 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.872 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 11.048 ( 0.000 0.000 0.000) 0.000 11.063 ( 0.000 0.000 0.000) 0.000 11.553 ( 0.000 0.000 0.000) 0.000 11.818 ( 0.000 0.000 0.000) 0.000 13.015 ( 0.000 0.000 0.000) 0.000 13.015 ( 0.000 0.000 0.000) 0.000 18.111 ( 0.000 0.000 0.000) 0.000 18.419 ( 0.000 0.000 0.000) 0.000 18.731 ( 0.000 0.000 0.000) 0.000 18.731 ( 0.000 0.000 0.000) 0.000 20.143 ( 0.000 0.000 0.000) 0.000 20.143 ( 0.000 0.000 0.000) 0.000 20.993 ( 0.000 0.000 0.000) 0.000 21.264 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 27.664 0.000 0.000) 27.664 0.585 ( 29.753 0.000 0.000) 29.753 0.954 ( 48.502 0.000 0.000) 48.502 2.203 ( 2.337 0.000 0.000) 2.337 2.684 ( -5.931 0.000 0.000) 5.931 2.860 ( 1.968 0.000 0.000) 1.968 2.861 ( 5.678 0.000 0.000) 5.678 2.950 ( 1.558 0.000 0.000) 1.558 3.081 ( 1.602 0.000 0.000) 1.602 3.116 ( 5.542 0.000 0.000) 5.542 3.272 ( -3.253 0.000 0.000) 3.253 3.410 ( -0.289 0.000 0.000) 0.289 3.440 ( 1.472 0.000 0.000) 1.472 4.110 ( -0.880 0.000 0.000) 0.880 4.228 ( -11.912 0.000 0.000) 11.912 4.285 ( -6.837 0.000 0.000) 6.837 4.430 ( 6.318 0.000 0.000) 6.318 4.475 ( -1.822 0.000 0.000) 1.822 4.672 ( -1.466 0.000 0.000) 1.466 4.897 ( 10.200 0.000 0.000) 10.200 4.956 ( -6.786 0.000 0.000) 6.786 4.992 ( -0.133 0.000 0.000) 0.133 5.245 ( 8.567 0.000 0.000) 8.567 5.678 ( -9.035 0.000 0.000) 9.035 6.002 ( -3.610 0.000 0.000) 3.610 6.169 ( -2.743 0.000 0.000) 2.743 6.611 ( -6.998 0.000 0.000) 6.998 6.788 ( -2.177 0.000 0.000) 2.177 7.006 ( -7.436 0.000 0.000) 7.436 7.230 ( -0.508 0.000 0.000) 0.508 7.562 ( -18.470 0.000 0.000) 18.470 7.766 ( -3.084 0.000 0.000) 3.084 8.827 ( -3.554 0.000 0.000) 3.554 8.854 ( -0.850 0.000 0.000) 0.850 8.854 ( 21.326 0.000 0.000) 21.326 9.601 ( 7.439 0.000 0.000) 7.439 9.685 ( 8.000 0.000 0.000) 8.000 10.340 ( 11.009 0.000 0.000) 11.009 10.901 ( -5.242 0.000 0.000) 5.242 11.060 ( 1.192 0.000 0.000) 1.192 11.072 ( 0.818 0.000 0.000) 0.818 11.487 ( -6.614 0.000 0.000) 6.614 11.823 ( 0.798 0.000 0.000) 0.798 12.565 ( 0.752 0.000 0.000) 0.752 13.003 ( -1.207 0.000 0.000) 1.207 13.077 ( -3.833 0.000 0.000) 3.833 18.120 ( 0.951 0.000 0.000) 0.951 18.405 ( -1.488 0.000 0.000) 1.488 18.732 ( 0.143 0.000 0.000) 0.143 18.733 ( 0.230 0.000 0.000) 0.230 20.171 ( 2.919 0.000 0.000) 2.919 20.930 ( -5.158 0.000 0.000) 5.158 21.104 ( 2.235 0.000 0.000) 2.235 21.257 ( -0.731 0.000 0.000) 0.731 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 25.564 0.000 0.000) 25.564 1.137 ( 27.209 0.000 0.000) 27.209 1.832 ( 39.659 0.000 0.000) 39.659 2.283 ( 7.532 0.000 0.000) 7.532 2.518 ( -11.163 0.000 0.000) 11.163 2.886 ( 1.179 0.000 0.000) 1.179 2.989 ( 6.417 0.000 0.000) 6.417 2.993 ( 2.777 0.000 0.000) 2.777 3.129 ( 3.325 0.000 0.000) 3.325 3.217 ( -2.426 0.000 0.000) 2.426 3.277 ( 10.363 0.000 0.000) 10.363 3.404 ( -0.189 0.000 0.000) 0.189 3.451 ( -0.275 0.000 0.000) 0.275 3.985 ( -11.975 0.000 0.000) 11.975 4.046 ( -7.035 0.000 0.000) 7.035 4.157 ( -4.666 0.000 0.000) 4.666 4.454 ( -0.783 0.000 0.000) 0.783 4.517 ( 1.369 0.000 0.000) 1.369 4.612 ( -4.921 0.000 0.000) 4.921 4.791 ( -9.467 0.000 0.000) 9.467 5.051 ( 4.618 0.000 0.000) 4.618 5.104 ( 12.400 0.000 0.000) 12.400 5.436 ( -15.208 0.000 0.000) 15.208 5.445 ( 12.140 0.000 0.000) 12.140 5.920 ( -3.847 0.000 0.000) 3.847 6.084 ( -6.168 0.000 0.000) 6.168 6.418 ( -11.986 0.000 0.000) 11.986 6.751 ( -1.659 0.000 0.000) 1.659 6.848 ( -7.706 0.000 0.000) 7.706 7.042 ( -21.006 0.000 0.000) 21.006 7.356 ( -0.012 0.000 0.000) 0.012 7.686 ( -4.889 0.000 0.000) 4.889 8.771 ( -1.841 0.000 0.000) 1.841 8.831 ( -1.436 0.000 0.000) 1.436 9.303 ( 24.048 0.000 0.000) 24.048 9.782 ( 10.799 0.000 0.000) 10.799 9.875 ( 10.638 0.000 0.000) 10.638 10.579 ( 11.901 0.000 0.000) 11.901 10.749 ( -10.429 0.000 0.000) 10.429 11.089 ( 1.597 0.000 0.000) 1.597 11.092 ( 1.213 0.000 0.000) 1.213 11.311 ( -11.185 0.000 0.000) 11.185 11.874 ( 5.334 0.000 0.000) 5.334 12.580 ( 0.270 0.000 0.000) 0.270 12.968 ( -2.401 0.000 0.000) 2.401 12.971 ( -6.839 0.000 0.000) 6.839 18.148 ( 1.864 0.000 0.000) 1.864 18.364 ( -2.583 0.000 0.000) 2.583 18.736 ( 0.222 0.000 0.000) 0.222 18.738 ( 0.262 0.000 0.000) 0.262 20.252 ( 5.372 0.000 0.000) 5.372 20.813 ( -6.837 0.000 0.000) 6.837 21.141 ( 1.589 0.000 0.000) 1.589 21.238 ( -1.179 0.000 0.000) 1.179 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 22.585 0.000 0.000) 22.585 1.621 ( 22.567 0.000 0.000) 22.567 2.162 ( -1.883 0.000 0.000) 1.883 2.260 ( -15.380 0.000 0.000) 15.380 2.726 ( 31.381 0.000 0.000) 31.381 2.937 ( 4.699 0.000 0.000) 4.699 3.053 ( 3.375 0.000 0.000) 3.375 3.075 ( 2.165 0.000 0.000) 2.165 3.172 ( -2.457 0.000 0.000) 2.457 3.183 ( 0.867 0.000 0.000) 0.867 3.405 ( 0.290 0.000 0.000) 0.290 3.436 ( -1.099 0.000 0.000) 1.099 3.481 ( 10.595 0.000 0.000) 10.595 3.810 ( -4.983 0.000 0.000) 4.983 3.891 ( -7.210 0.000 0.000) 7.210 4.053 ( -8.907 0.000 0.000) 8.907 4.440 ( -0.719 0.000 0.000) 0.719 4.495 ( -6.012 0.000 0.000) 6.012 4.509 ( -0.806 0.000 0.000) 0.806 4.622 ( -7.397 0.000 0.000) 7.397 5.059 ( -2.868 0.000 0.000) 2.868 5.150 ( -12.322 0.000 0.000) 12.322 5.412 ( 17.165 0.000 0.000) 17.165 5.725 ( 17.420 0.000 0.000) 17.420 5.899 ( 2.242 0.000 0.000) 2.242 5.930 ( -9.716 0.000 0.000) 9.716 6.187 ( -11.273 0.000 0.000) 11.273 6.589 ( -24.495 0.000 0.000) 24.495 6.722 ( -1.366 0.000 0.000) 1.366 6.738 ( -3.554 0.000 0.000) 3.554 7.405 ( 3.818 0.000 0.000) 3.818 7.586 ( -5.250 0.000 0.000) 5.250 8.757 ( 0.226 0.000 0.000) 0.226 8.801 ( -1.601 0.000 0.000) 1.601 9.757 ( 22.602 0.000 0.000) 22.602 9.992 ( 9.971 0.000 0.000) 9.971 10.058 ( 7.316 0.000 0.000) 7.316 10.501 ( -15.252 0.000 0.000) 15.252 10.756 ( 6.636 0.000 0.000) 6.636 11.080 ( -11.995 0.000 0.000) 11.995 11.114 ( 0.942 0.000 0.000) 0.942 11.115 ( 0.995 0.000 0.000) 0.995 12.048 ( 12.493 0.000 0.000) 12.493 12.534 ( -6.620 0.000 0.000) 6.620 12.855 ( -3.383 0.000 0.000) 3.383 12.913 ( -3.178 0.000 0.000) 3.178 18.191 ( 2.639 0.000 0.000) 2.639 18.308 ( -3.124 0.000 0.000) 3.124 18.740 ( 0.196 0.000 0.000) 0.196 18.742 ( 0.122 0.000 0.000) 0.122 20.374 ( 7.057 0.000 0.000) 7.057 20.671 ( -7.750 0.000 0.000) 7.750 21.168 ( 1.205 0.000 0.000) 1.205 21.214 ( -1.267 0.000 0.000) 1.267 ======================= Grid point 4 (5/75) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -19.135 0.000 0.000) 19.135 1.927 ( 19.135 0.000 0.000) 19.135 1.988 ( -14.845 0.000 0.000) 14.845 1.988 ( 14.845 0.000 0.000) 14.845 3.048 ( -5.179 0.000 0.000) 5.179 3.048 ( 5.179 0.000 0.000) 5.179 3.118 ( -3.172 0.000 0.000) 3.172 3.118 ( 3.172 0.000 0.000) 3.172 3.126 ( -8.511 0.000 0.000) 8.511 3.126 ( 8.511 0.000 0.000) 8.511 3.416 ( -0.835 0.000 0.000) 0.835 3.416 ( 0.835 0.000 0.000) 0.835 3.748 ( -15.736 0.000 0.000) 15.736 3.748 ( 15.736 0.000 0.000) 15.736 3.809 ( -5.728 0.000 0.000) 5.728 3.809 ( 5.728 0.000 0.000) 5.728 4.432 ( -0.550 0.000 0.000) 0.550 4.432 ( 0.550 0.000 0.000) 0.550 4.522 ( -2.741 0.000 0.000) 2.741 4.522 ( 2.741 0.000 0.000) 2.741 5.020 ( -1.066 0.000 0.000) 1.066 5.020 ( 1.066 0.000 0.000) 1.066 5.709 ( -13.339 0.000 0.000) 13.339 5.709 ( 13.339 0.000 0.000) 13.339 6.000 ( -7.800 0.000 0.000) 7.800 6.000 ( 7.800 0.000 0.000) 7.800 6.123 ( -23.183 0.000 0.000) 23.183 6.123 ( 23.183 0.000 0.000) 23.183 6.706 ( -0.063 0.000 0.000) 0.063 6.706 ( 0.063 0.000 0.000) 0.063 7.489 ( -4.780 0.000 0.000) 4.780 7.489 ( 4.780 0.000 0.000) 4.780 8.773 ( -1.271 0.000 0.000) 1.271 8.773 ( 1.271 0.000 0.000) 1.271 10.118 ( -1.896 0.000 0.000) 1.896 10.118 ( 1.896 0.000 0.000) 1.896 10.165 ( -19.440 0.000 0.000) 19.440 10.165 ( 19.440 0.000 0.000) 19.440 10.882 ( -7.916 0.000 0.000) 7.916 10.882 ( 7.916 0.000 0.000) 7.916 11.125 ( -0.069 0.000 0.000) 0.069 11.125 ( 0.069 0.000 0.000) 0.069 12.319 ( -14.174 0.000 0.000) 14.174 12.319 ( 14.174 0.000 0.000) 14.174 12.856 ( -2.338 0.000 0.000) 2.338 12.856 ( 2.338 0.000 0.000) 2.338 18.248 ( -3.112 0.000 0.000) 3.112 18.248 ( 3.112 0.000 0.000) 3.112 18.743 ( -0.064 0.000 0.000) 0.064 18.743 ( 0.064 0.000 0.000) 0.064 20.519 ( -7.850 0.000 0.000) 7.850 20.519 ( 7.850 0.000 0.000) 7.850 21.190 ( -1.175 0.000 0.000) 1.175 21.190 ( 1.175 0.000 0.000) 1.175 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 16.798 16.798 0.000) 23.756 0.761 ( 19.018 19.018 0.000) 26.896 1.423 ( 34.968 34.968 0.000) 49.453 2.222 ( 2.238 2.238 0.000) 3.165 2.640 ( -4.688 -4.688 0.000) 6.630 2.884 ( 3.465 3.465 0.000) 4.901 2.932 ( 4.388 4.388 0.000) 6.206 2.959 ( 0.941 0.941 0.000) 1.331 3.107 ( 2.277 2.277 0.000) 3.220 3.149 ( 4.597 4.597 0.000) 6.501 3.226 ( -3.457 -3.457 0.000) 4.889 3.434 ( 1.162 1.162 0.000) 1.643 3.446 ( 0.863 0.863 0.000) 1.221 4.074 ( -2.149 -2.149 0.000) 3.039 4.097 ( -10.587 -10.587 0.000) 14.973 4.234 ( -5.764 -5.764 0.000) 8.151 4.456 ( -1.265 -1.265 0.000) 1.789 4.490 ( 5.191 5.191 0.000) 7.341 4.658 ( -1.805 -1.805 0.000) 2.552 4.862 ( -5.446 -5.446 0.000) 7.702 4.959 ( 6.333 6.333 0.000) 8.956 5.051 ( 1.665 1.665 0.000) 2.354 5.271 ( 4.049 4.049 0.000) 5.726 5.728 ( -2.160 -2.160 0.000) 3.055 5.994 ( -2.616 -2.616 0.000) 3.700 6.145 ( -2.557 -2.557 0.000) 3.615 6.290 ( -19.612 -19.612 0.000) 27.735 6.609 ( -3.017 -3.017 0.000) 4.267 7.017 ( -10.753 -10.753 0.000) 15.207 7.261 ( 2.539 2.539 0.000) 3.591 7.281 ( -19.788 -19.788 0.000) 27.984 7.876 ( 3.651 3.651 0.000) 5.164 8.842 ( 1.271 1.271 0.000) 1.798 8.968 ( 4.961 4.961 0.000) 7.016 8.998 ( 14.069 14.069 0.000) 19.896 9.686 ( 8.004 8.004 0.000) 11.320 9.763 ( 7.881 7.881 0.000) 11.145 10.473 ( 10.581 10.581 0.000) 14.963 10.852 ( -5.046 -5.046 0.000) 7.136 11.067 ( 0.699 0.699 0.000) 0.988 11.081 ( 0.863 0.863 0.000) 1.220 11.421 ( -6.637 -6.637 0.000) 9.386 11.625 ( -7.962 -7.962 0.000) 11.260 12.780 ( 9.577 9.577 0.000) 13.544 12.844 ( -8.676 -8.676 0.000) 12.270 13.168 ( 2.825 2.825 0.000) 3.995 18.129 ( 0.939 0.939 0.000) 1.328 18.392 ( -1.239 -1.239 0.000) 1.752 18.729 ( -0.102 -0.102 0.000) 0.144 18.739 ( 0.287 0.287 0.000) 0.406 20.150 ( 0.328 0.328 0.000) 0.464 20.875 ( -5.063 -5.063 0.000) 7.160 21.133 ( 2.056 2.056 0.000) 2.908 21.268 ( 0.186 0.186 0.000) 0.263 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 26.976 1.930 0.000) 27.045 1.173 ( 22.259 11.062 0.000) 24.856 2.089 ( 27.329 21.274 0.000) 34.633 2.311 ( 11.171 3.390 0.000) 11.674 2.502 ( -9.582 -1.804 0.000) 9.750 2.925 ( 0.755 3.689 0.000) 3.766 2.985 ( 1.733 -0.714 0.000) 1.874 3.040 ( 6.236 3.064 0.000) 6.948 3.155 ( 2.821 3.699 0.000) 4.652 3.167 ( -2.618 -3.962 0.000) 4.749 3.309 ( 10.846 3.969 0.000) 11.549 3.443 ( 0.234 2.837 0.000) 2.846 3.463 ( 0.413 1.120 0.000) 1.194 3.887 ( -9.873 -7.303 0.000) 12.280 4.024 ( -5.508 -3.460 0.000) 6.504 4.105 ( -4.793 -4.868 0.000) 6.832 4.436 ( -0.905 -1.442 0.000) 1.703 4.556 ( 0.293 3.712 0.000) 3.724 4.594 ( -4.662 -2.357 0.000) 5.224 4.758 ( -5.978 -3.308 0.000) 6.832 5.072 ( 3.260 3.039 0.000) 4.456 5.119 ( 8.388 1.434 0.000) 8.509 5.412 ( 9.793 -2.507 0.000) 10.109 5.542 ( -15.878 8.752 0.000) 18.131 5.775 ( -11.372 -14.685 0.000) 18.574 6.067 ( -5.593 -1.980 0.000) 5.933 6.236 ( 4.872 -24.661 0.000) 25.138 6.481 ( -11.719 -4.521 0.000) 12.561 6.763 ( -10.861 -16.461 0.000) 19.721 6.862 ( -22.242 -16.760 0.000) 27.850 7.349 ( 5.691 3.716 0.000) 6.796 7.868 ( -3.703 12.187 0.000) 12.737 8.870 ( 1.716 8.229 0.000) 8.406 9.005 ( -0.151 12.888 0.000) 12.889 9.345 ( 20.601 4.660 0.000) 21.121 9.868 ( 10.359 8.668 0.000) 13.507 9.961 ( 11.232 7.770 0.000) 13.657 10.672 ( 8.727 9.263 0.000) 12.726 10.705 ( -10.146 -4.551 0.000) 11.120 11.086 ( 1.186 -0.001 0.000) 1.186 11.101 ( 1.094 0.572 0.000) 1.234 11.253 ( -10.361 -5.959 0.000) 11.953 11.590 ( 4.061 -19.555 0.000) 19.972 12.632 ( -11.616 -9.472 0.000) 14.988 12.934 ( 5.390 13.398 0.000) 14.442 13.182 ( -0.765 9.975 0.000) 10.004 18.156 ( 1.822 0.885 0.000) 2.026 18.358 ( -2.248 -0.653 0.000) 2.341 18.729 ( 0.141 -0.384 0.000) 0.409 18.743 ( 0.123 0.160 0.000) 0.201 20.200 ( 4.404 -3.728 0.000) 5.770 20.754 ( -7.234 -5.626 0.000) 9.164 21.168 ( 1.554 2.172 0.000) 2.671 21.259 ( -0.910 1.490 0.000) 1.746 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 20.808 6.747 0.000) 21.875 1.616 ( 24.216 0.716 0.000) 24.227 2.218 ( -4.244 5.323 0.000) 6.808 2.273 ( -13.988 1.183 0.000) 14.038 2.792 ( 25.015 5.201 0.000) 25.550 2.954 ( 3.181 1.864 0.000) 3.687 3.025 ( 2.351 -2.592 0.000) 3.499 3.119 ( 1.306 2.989 0.000) 3.262 3.121 ( -2.322 -4.183 0.000) 4.784 3.209 ( 2.007 3.837 0.000) 4.330 3.448 ( 0.298 3.343 0.000) 3.356 3.462 ( -0.326 2.392 0.000) 2.414 3.528 ( 11.229 4.355 0.000) 12.044 3.746 ( -4.518 -3.163 0.000) 5.515 3.883 ( -5.634 -1.595 0.000) 5.855 4.050 ( -3.780 -1.761 0.000) 4.170 4.420 ( -0.522 -1.272 0.000) 1.376 4.499 ( -4.431 -0.641 0.000) 4.477 4.532 ( -1.260 2.340 0.000) 2.658 4.632 ( -6.287 0.834 0.000) 6.342 5.040 ( -5.369 -1.233 0.000) 5.508 5.198 ( -16.892 3.849 0.000) 17.325 5.367 ( 15.161 -4.349 0.000) 15.773 5.623 ( 10.711 -8.266 0.000) 13.530 5.709 ( 3.891 -17.997 0.000) 18.413 5.944 ( -5.589 -0.091 0.000) 5.590 6.146 ( -15.527 -6.219 0.000) 16.726 6.387 ( 5.492 -22.697 0.000) 23.352 6.436 ( -21.622 -13.303 0.000) 25.386 6.619 ( -5.859 -14.469 0.000) 15.610 7.475 ( 7.149 8.031 0.000) 10.752 7.761 ( -6.849 14.156 0.000) 15.725 8.908 ( 2.083 12.749 0.000) 12.918 8.985 ( -1.651 15.303 0.000) 15.391 9.753 ( 21.045 -0.194 0.000) 21.046 10.068 ( 9.666 7.794 0.000) 12.416 10.148 ( 7.182 8.440 0.000) 11.082 10.464 ( -14.808 -3.804 0.000) 15.288 10.784 ( 3.476 3.019 0.000) 4.604 11.040 ( -10.948 -3.925 0.000) 11.630 11.108 ( 1.004 -0.355 0.000) 1.065 11.118 ( 0.593 0.047 0.000) 0.595 11.772 ( 13.917 -20.766 0.000) 24.998 12.380 ( -14.492 -15.154 0.000) 20.968 13.020 ( 3.924 17.801 0.000) 18.228 13.149 ( -2.502 14.770 0.000) 14.980 18.199 ( 2.537 0.741 0.000) 2.643 18.308 ( -2.839 -0.031 0.000) 2.839 18.733 ( 0.289 -0.480 0.000) 0.560 18.743 ( -0.103 -0.099 0.000) 0.143 20.309 ( 6.664 -5.632 0.000) 8.725 20.605 ( -8.034 -6.250 0.000) 10.179 21.194 ( 1.156 2.191 0.000) 2.477 21.238 ( -1.182 1.951 0.000) 2.281 ======================= Grid point 13 (9/75) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -17.796 3.854 0.000) 18.209 1.966 ( 17.796 3.854 0.000) 18.209 2.015 ( -16.318 2.952 0.000) 16.583 2.015 ( 16.318 2.952 0.000) 16.583 3.023 ( -2.710 -2.444 0.000) 3.649 3.023 ( 2.710 -2.444 0.000) 3.649 3.073 ( -2.562 -3.824 0.000) 4.603 3.073 ( 2.562 -3.824 0.000) 4.603 3.177 ( -6.057 5.154 0.000) 7.953 3.177 ( 6.057 5.154 0.000) 7.953 3.455 ( -0.387 3.234 0.000) 3.257 3.455 ( 0.387 3.234 0.000) 3.257 3.687 ( -3.608 -3.307 0.000) 4.895 3.687 ( 3.608 -3.307 0.000) 4.895 3.910 ( -8.654 6.095 0.000) 10.585 3.910 ( 8.654 6.095 0.000) 10.585 4.436 ( -2.283 0.947 0.000) 2.472 4.436 ( 2.283 0.947 0.000) 2.472 4.542 ( -2.608 1.920 0.000) 3.238 4.542 ( 2.608 1.920 0.000) 3.238 4.989 ( -3.219 -3.381 0.000) 4.669 4.989 ( 3.219 -3.381 0.000) 4.669 5.630 ( -10.362 -7.894 0.000) 13.026 5.630 ( 10.362 -7.894 0.000) 13.026 5.871 ( -11.924 -13.280 0.000) 17.848 5.871 ( 11.924 -13.280 0.000) 17.848 6.051 ( -16.847 -6.039 0.000) 17.897 6.051 ( 16.847 -6.039 0.000) 17.897 6.505 ( -6.152 -16.242 0.000) 17.368 6.505 ( 6.152 -16.242 0.000) 17.368 7.619 ( -7.637 12.033 0.000) 14.252 7.619 ( 7.637 12.033 0.000) 14.252 8.948 ( -2.080 15.020 0.000) 15.163 8.948 ( 2.080 15.020 0.000) 15.163 10.139 ( -18.649 -2.549 0.000) 18.822 10.139 ( 18.649 -2.549 0.000) 18.822 10.199 ( -2.585 7.956 0.000) 8.365 10.199 ( 2.585 7.956 0.000) 8.365 10.865 ( -6.412 -1.644 0.000) 6.620 10.865 ( 6.412 -1.644 0.000) 6.620 11.121 ( -0.285 -0.325 0.000) 0.432 11.121 ( 0.285 -0.325 0.000) 0.432 12.077 ( -16.532 -18.460 0.000) 24.781 12.077 ( 16.532 -18.460 0.000) 24.781 13.091 ( -3.416 17.668 0.000) 17.995 13.091 ( 3.416 17.668 0.000) 17.995 18.252 ( -2.922 0.447 0.000) 2.956 18.252 ( 2.922 0.447 0.000) 2.956 18.739 ( -0.269 -0.356 0.000) 0.446 18.739 ( 0.269 -0.356 0.000) 0.446 20.450 ( -7.827 -6.345 0.000) 10.076 20.450 ( 7.827 -6.345 0.000) 10.076 21.215 ( -1.122 2.113 0.000) 2.393 21.215 ( 1.122 2.113 0.000) 2.393 ======================= Grid point 20 (10/75) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 16.796 16.796 0.000) 23.753 1.445 ( 16.170 16.170 0.000) 22.868 2.351 ( 4.123 4.123 0.000) 5.831 2.437 ( -5.190 -5.190 0.000) 7.340 2.550 ( 19.493 19.493 0.000) 27.568 2.970 ( -0.636 -0.636 0.000) 0.899 2.990 ( 1.383 1.383 0.000) 1.955 3.086 ( 4.155 4.155 0.000) 5.875 3.095 ( -3.187 -3.187 0.000) 4.507 3.256 ( 5.159 5.159 0.000) 7.297 3.450 ( 9.055 9.055 0.000) 12.806 3.485 ( 1.384 1.384 0.000) 1.958 3.491 ( 1.486 1.486 0.000) 2.101 3.781 ( -1.618 -1.618 0.000) 2.289 3.926 ( -6.693 -6.693 0.000) 9.466 4.000 ( -4.507 -4.507 0.000) 6.374 4.416 ( -0.289 -0.289 0.000) 0.409 4.507 ( -6.324 -6.324 0.000) 8.943 4.622 ( 1.274 1.274 0.000) 1.802 4.682 ( -3.276 -3.276 0.000) 4.633 5.157 ( 3.084 3.084 0.000) 4.361 5.161 ( 4.174 4.174 0.000) 5.903 5.369 ( -21.011 -21.011 0.000) 29.714 5.399 ( 2.023 2.023 0.000) 2.862 5.709 ( -5.328 -5.328 0.000) 7.535 5.829 ( -5.583 -5.583 0.000) 7.896 6.002 ( -4.648 -4.648 0.000) 6.573 6.314 ( -21.692 -21.692 0.000) 30.676 6.456 ( -5.256 -5.256 0.000) 7.433 6.503 ( -18.903 -18.903 0.000) 26.732 7.487 ( 9.477 9.477 0.000) 13.402 8.035 ( 4.099 4.099 0.000) 5.797 9.028 ( 7.569 7.569 0.000) 10.705 9.200 ( 6.592 6.592 0.000) 9.322 9.497 ( 11.223 11.223 0.000) 15.872 10.076 ( 11.240 11.240 0.000) 15.896 10.138 ( 10.355 10.355 0.000) 14.644 10.573 ( -9.172 -9.172 0.000) 12.972 10.886 ( 9.728 9.728 0.000) 13.757 11.091 ( 0.488 0.488 0.000) 0.690 11.095 ( -9.122 -9.122 0.000) 12.900 11.111 ( 0.462 0.462 0.000) 0.654 11.297 ( -8.703 -8.703 0.000) 12.308 12.372 ( -15.255 -15.255 0.000) 21.574 13.191 ( 10.826 10.826 0.000) 15.311 13.338 ( 5.926 5.926 0.000) 8.381 18.181 ( 1.665 1.665 0.000) 2.354 18.339 ( -1.370 -1.370 0.000) 1.937 18.724 ( -0.146 -0.146 0.000) 0.206 18.743 ( -0.137 -0.137 0.000) 0.194 20.161 ( 0.118 0.118 0.000) 0.167 20.617 ( -8.022 -8.022 0.000) 11.345 21.207 ( 1.704 1.704 0.000) 2.409 21.276 ( 0.171 0.171 0.000) 0.242 ======================= Grid point 21 (11/75) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 22.863 8.649 0.000) 24.444 1.766 ( 16.481 10.690 0.000) 19.645 2.294 ( -9.775 0.446 0.000) 9.785 2.351 ( -5.628 8.185 0.000) 9.933 2.832 ( 9.548 -2.126 0.000) 9.782 2.970 ( 0.711 -2.716 0.000) 2.807 2.992 ( -0.218 0.569 0.000) 0.609 3.041 ( -2.535 -3.713 0.000) 4.496 3.207 ( 6.657 7.916 0.000) 10.343 3.330 ( 2.118 7.325 0.000) 7.625 3.505 ( 0.759 2.368 0.000) 2.486 3.509 ( 0.506 2.021 0.000) 2.083 3.561 ( 3.121 -1.131 0.000) 3.319 3.752 ( -7.553 -1.967 0.000) 7.805 3.882 ( 5.761 5.382 0.000) 7.884 3.975 ( 1.545 -4.558 0.000) 4.812 4.391 ( -1.947 -6.834 0.000) 7.106 4.454 ( 3.186 1.985 0.000) 3.753 4.589 ( -1.983 2.978 0.000) 3.577 4.641 ( -2.817 -0.151 0.000) 2.821 4.938 ( -15.339 -14.754 0.000) 21.283 5.256 ( -10.381 0.770 0.000) 10.409 5.272 ( 8.689 -4.420 0.000) 9.749 5.420 ( -3.261 -2.645 0.000) 4.199 5.468 ( 3.350 -6.992 0.000) 7.753 5.859 ( -14.705 -20.181 0.000) 24.971 5.907 ( -3.905 -3.485 0.000) 5.234 6.029 ( 6.331 -15.406 0.000) 16.656 6.166 ( -15.509 -13.299 0.000) 20.430 6.357 ( -6.295 -11.104 0.000) 12.765 7.688 ( 10.831 12.903 0.000) 16.846 8.026 ( -4.516 11.577 0.000) 12.427 9.157 ( 5.785 12.143 0.000) 13.450 9.268 ( 0.844 12.439 0.000) 12.467 9.763 ( 15.631 1.727 0.000) 15.727 10.268 ( 8.764 11.987 0.000) 14.849 10.332 ( 8.210 9.377 0.000) 12.463 10.355 ( -13.205 -7.343 0.000) 15.109 10.868 ( -6.442 3.558 0.000) 7.359 10.950 ( -7.994 -2.879 0.000) 8.496 11.103 ( 0.654 -0.182 0.000) 0.678 11.117 ( 0.067 -0.177 0.000) 0.189 11.384 ( 15.200 -18.283 0.000) 23.776 12.060 ( -17.029 -17.186 0.000) 24.194 13.346 ( 5.595 14.311 0.000) 15.365 13.412 ( 1.925 11.840 0.000) 11.995 18.219 ( 2.196 1.309 0.000) 2.557 18.306 ( -2.012 -0.282 0.000) 2.032 18.724 ( 0.191 -0.436 0.000) 0.476 18.738 ( -0.365 -0.401 0.000) 0.542 20.204 ( 4.145 -4.354 0.000) 6.011 20.458 ( -8.177 -8.249 0.000) 11.615 21.234 ( 1.107 1.714 0.000) 2.040 21.269 ( -0.713 1.050 0.000) 1.269 ======================= Grid point 22 (12/75) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -13.954 5.737 0.000) 15.087 2.063 ( 13.954 5.737 0.000) 15.087 2.112 ( -18.360 7.413 0.000) 19.800 2.112 ( 18.360 7.413 0.000) 19.800 2.959 ( -4.000 -4.229 0.000) 5.821 2.959 ( 4.000 -4.229 0.000) 5.821 2.997 ( -1.993 -3.674 0.000) 4.179 2.997 ( 1.993 -3.674 0.000) 4.179 3.311 ( -4.007 8.186 0.000) 9.114 3.311 ( 4.007 8.186 0.000) 9.114 3.513 ( -0.079 2.407 0.000) 2.408 3.513 ( 0.079 2.407 0.000) 2.408 3.630 ( -4.617 -2.886 0.000) 5.444 3.630 ( 4.617 -2.886 0.000) 5.444 3.966 ( -3.116 -0.761 0.000) 3.207 3.966 ( 3.116 -0.761 0.000) 3.207 4.450 ( -5.648 -3.192 0.000) 6.488 4.450 ( 5.648 -3.192 0.000) 6.488 4.587 ( -1.855 2.382 0.000) 3.019 4.587 ( 1.855 2.382 0.000) 3.019 4.916 ( -14.598 -0.757 0.000) 14.618 4.916 ( 14.598 -0.757 0.000) 14.618 5.441 ( -6.802 -10.171 0.000) 12.236 5.441 ( 6.802 -10.171 0.000) 12.236 5.572 ( -12.429 -13.691 0.000) 18.491 5.572 ( 12.429 -13.691 0.000) 18.491 5.932 ( -7.587 -5.859 0.000) 9.586 5.932 ( 7.587 -5.859 0.000) 9.586 6.207 ( -9.104 -14.348 0.000) 16.993 6.207 ( 9.104 -14.348 0.000) 16.993 7.886 ( -9.292 14.205 0.000) 16.974 7.886 ( 9.292 14.205 0.000) 16.974 9.244 ( -3.057 14.237 0.000) 14.562 9.244 ( 3.057 14.237 0.000) 14.562 10.072 ( -15.796 -4.126 0.000) 16.326 10.072 ( 15.796 -4.126 0.000) 16.326 10.394 ( -2.721 11.242 0.000) 11.567 10.394 ( 2.721 11.242 0.000) 11.567 10.823 ( -3.130 -2.507 0.000) 4.010 10.823 ( 3.130 -2.507 0.000) 4.010 11.113 ( -0.403 -0.443 0.000) 0.599 11.113 ( 0.403 -0.443 0.000) 0.599 11.719 ( -18.093 -17.735 0.000) 25.335 11.719 ( 18.093 -17.735 0.000) 25.335 13.415 ( -1.632 14.739 0.000) 14.830 13.415 ( 1.632 14.739 0.000) 14.830 18.263 ( -2.331 0.665 0.000) 2.424 18.263 ( 2.331 0.665 0.000) 2.424 18.730 ( -0.397 -0.533 0.000) 0.665 18.730 ( 0.397 -0.533 0.000) 0.665 20.312 ( -6.813 -7.161 0.000) 9.885 20.312 ( 6.813 -7.161 0.000) 9.885 21.253 ( -0.919 1.506 0.000) 1.764 21.253 ( 0.919 1.506 0.000) 1.764 ======================= Grid point 30 (13/75) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 17.124 17.124 0.000) 24.217 1.980 ( 10.921 10.921 0.000) 15.444 2.272 ( -3.114 -3.114 0.000) 4.404 2.487 ( 2.091 2.091 0.000) 2.956 2.755 ( -2.420 -2.420 0.000) 3.423 2.934 ( -0.738 -0.738 0.000) 1.044 2.961 ( -3.700 -3.700 0.000) 5.232 2.981 ( -2.601 -2.601 0.000) 3.678 3.385 ( 8.195 8.195 0.000) 11.590 3.442 ( 3.459 3.459 0.000) 4.892 3.534 ( 0.709 0.709 0.000) 1.003 3.537 ( 0.877 0.877 0.000) 1.240 3.550 ( 0.418 0.418 0.000) 0.591 3.637 ( -6.910 -6.910 0.000) 9.773 3.882 ( -1.308 -1.308 0.000) 1.850 4.026 ( 2.636 2.636 0.000) 3.728 4.184 ( -9.049 -9.049 0.000) 12.797 4.540 ( -19.306 -19.306 0.000) 27.303 4.621 ( -0.265 -0.265 0.000) 0.375 4.630 ( -0.321 -0.321 0.000) 0.454 4.663 ( 16.174 16.174 0.000) 22.874 5.233 ( 0.820 0.820 0.000) 1.160 5.299 ( 3.406 3.406 0.000) 4.817 5.364 ( -4.075 -4.075 0.000) 5.763 5.382 ( -11.892 -11.892 0.000) 16.818 5.613 ( -4.910 -4.910 0.000) 6.944 5.776 ( -4.046 -4.046 0.000) 5.722 5.836 ( -2.893 -2.893 0.000) 4.091 5.951 ( -8.724 -8.724 0.000) 12.337 6.156 ( -10.784 -10.784 0.000) 15.251 7.936 ( 11.991 11.991 0.000) 16.957 8.167 ( 2.490 2.490 0.000) 3.522 9.360 ( 8.556 8.556 0.000) 12.100 9.442 ( 5.359 5.359 0.000) 7.578 9.837 ( 6.165 6.165 0.000) 8.719 10.188 ( -9.763 -9.763 0.000) 13.806 10.485 ( 7.134 7.134 0.000) 10.090 10.496 ( 10.200 10.200 0.000) 14.425 10.791 ( -6.012 -6.012 0.000) 8.503 10.978 ( -7.338 -7.338 0.000) 10.378 11.102 ( 0.099 0.099 0.000) 0.140 11.112 ( -0.308 -0.308 0.000) 0.436 11.180 ( 5.270 5.270 0.000) 7.452 11.731 ( -16.771 -16.771 0.000) 23.718 13.556 ( 7.466 7.466 0.000) 10.558 13.587 ( 5.938 5.938 0.000) 8.398 18.247 ( 1.532 1.532 0.000) 2.167 18.296 ( -0.793 -0.793 0.000) 1.121 18.719 ( -0.104 -0.104 0.000) 0.147 18.729 ( -0.499 -0.499 0.000) 0.706 20.159 ( -0.150 -0.150 0.000) 0.212 20.307 ( -7.078 -7.078 0.000) 10.010 21.258 ( 0.898 0.898 0.000) 1.270 21.278 ( -0.058 -0.058 0.000) 0.082 ======================= Grid point 31 (14/75) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -7.842 4.317 0.000) 8.952 2.166 ( 7.842 4.317 0.000) 8.952 2.305 ( -17.214 12.354 0.000) 21.188 2.305 ( 17.214 12.354 0.000) 21.188 2.845 ( -7.901 -8.158 0.000) 11.357 2.845 ( 7.901 -8.158 0.000) 11.357 2.942 ( -1.357 -1.930 0.000) 2.359 2.942 ( 1.357 -1.930 0.000) 2.359 3.462 ( -2.058 6.079 0.000) 6.418 3.462 ( 2.058 6.079 0.000) 6.418 3.542 ( -0.154 0.684 0.000) 0.701 3.542 ( 0.154 0.684 0.000) 0.701 3.566 ( -2.124 -3.288 0.000) 3.914 3.566 ( 2.124 -3.288 0.000) 3.914 3.932 ( -6.231 -0.645 0.000) 6.265 3.932 ( 6.231 -0.645 0.000) 6.265 4.236 ( -10.811 -14.886 0.000) 18.397 4.236 ( 10.811 -14.886 0.000) 18.397 4.618 ( -0.555 0.671 0.000) 0.871 4.618 ( 0.555 0.671 0.000) 0.871 5.039 ( -19.967 9.446 0.000) 22.089 5.039 ( 19.967 9.446 0.000) 22.089 5.288 ( -3.964 -5.022 0.000) 6.398 5.288 ( 3.964 -5.022 0.000) 6.398 5.430 ( -8.950 -0.501 0.000) 8.964 5.430 ( 8.950 -0.501 0.000) 8.964 5.834 ( -3.147 -4.031 0.000) 5.114 5.834 ( 3.147 -4.031 0.000) 5.114 5.931 ( -12.139 -14.412 0.000) 18.844 5.931 ( 12.139 -14.412 0.000) 18.844 8.122 ( -6.637 9.282 0.000) 11.410 8.122 ( 6.637 9.282 0.000) 11.410 9.470 ( -2.379 8.659 0.000) 8.980 9.470 ( 2.379 8.659 0.000) 8.980 9.995 ( -9.664 -3.428 0.000) 10.254 9.995 ( 9.664 -3.428 0.000) 10.254 10.592 ( -3.187 8.156 0.000) 8.757 10.592 ( 3.187 8.156 0.000) 8.757 10.782 ( -8.120 -1.233 0.000) 8.213 10.782 ( 8.120 -1.233 0.000) 8.213 11.106 ( -0.289 -0.302 0.000) 0.418 11.106 ( 0.289 -0.302 0.000) 0.418 11.419 ( -15.257 -12.568 0.000) 19.766 11.419 ( 15.257 -12.568 0.000) 19.766 13.636 ( -0.824 7.888 0.000) 7.931 13.636 ( 0.824 7.888 0.000) 7.931 18.275 ( -1.319 0.496 0.000) 1.410 18.275 ( 1.319 0.496 0.000) 1.410 18.721 ( -0.300 -0.402 0.000) 0.501 18.721 ( 0.300 -0.402 0.000) 0.501 20.197 ( -4.012 -4.294 0.000) 5.877 20.197 ( 4.012 -4.294 0.000) 5.877 21.271 ( -0.510 0.497 0.000) 0.712 21.271 ( 0.510 0.497 0.000) 0.712 ======================= Grid point 44 (15/75) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 0.000 0.000) 0.000 2.210 ( 0.000 0.000 0.000) 0.000 2.508 ( -0.000 -0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.563 ( -0.000 -0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.986 ( -0.000 -0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 5.134 ( -0.000 -0.000 0.000) 0.000 5.134 ( -0.000 -0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.792 ( -0.000 -0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 8.216 ( 0.000 0.000 0.000) 0.000 8.216 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 9.959 ( -0.000 -0.000 0.000) 0.000 9.959 ( 0.000 0.000 0.000) 0.000 10.667 ( -0.000 -0.000 0.000) 0.000 10.667 ( 0.000 0.000 0.000) 0.000 10.785 ( 0.000 0.000 0.000) 0.000 10.785 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.283 ( 0.000 0.000 0.000) 0.000 11.283 ( 0.000 0.000 0.000) 0.000 13.713 ( 0.000 0.000 0.000) 0.000 13.713 ( 0.000 0.000 0.000) 0.000 18.280 ( 0.000 0.000 0.000) 0.000 18.280 ( 0.000 0.000 0.000) 0.000 18.716 ( 0.000 0.000 0.000) 0.000 18.716 ( 0.000 0.000 0.000) 0.000 20.155 ( 0.000 0.000 0.000) 0.000 20.155 ( 0.000 0.000 0.000) 0.000 21.276 ( 0.000 0.000 0.000) 0.000 21.276 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 81 (16/75) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 0.000 28.120) 28.120 0.543 ( 0.000 0.000 28.120) 28.120 1.110 ( -0.000 -0.000 56.511) 56.511 2.181 ( -0.000 -0.000 -0.004) 0.004 2.683 ( 0.000 0.000 -5.833) 5.833 2.772 ( -0.000 0.000 -3.254) 3.254 2.772 ( 0.000 0.000 -3.254) 3.254 3.040 ( 0.000 0.000 -2.553) 2.553 3.040 ( -0.000 -0.000 -2.553) 2.553 3.341 ( 0.000 0.000 2.213) 2.213 3.437 ( -0.000 -0.000 2.166) 2.166 3.437 ( -0.000 -0.000 2.166) 2.166 3.695 ( 0.000 0.000 0.968) 0.968 4.134 ( -0.000 -0.000 1.605) 1.605 4.134 ( 0.000 0.000 1.605) 1.605 4.226 ( -0.000 -0.000 -10.377) 10.377 4.373 ( -0.000 0.000 2.028) 2.028 4.373 ( 0.000 0.000 2.028) 2.028 4.534 ( -0.000 -0.000 0.625) 0.625 4.801 ( 0.000 0.000 9.237) 9.237 5.094 ( 0.000 0.000 6.034) 6.034 5.094 ( 0.000 0.000 6.034) 6.034 5.214 ( 0.000 0.000 7.232) 7.232 5.799 ( -0.000 -0.000 3.554) 3.554 5.799 ( 0.000 0.000 3.554) 3.554 6.608 ( 0.000 0.000 1.938) 1.938 6.613 ( -0.000 -0.000 -17.161) 17.161 6.613 ( -0.000 -0.000 -17.161) 17.161 6.663 ( -0.000 -0.000 -0.874) 0.874 6.838 ( 0.000 0.000 -16.115) 16.115 7.443 ( 0.000 0.000 12.826) 12.826 7.986 ( 0.000 0.000 16.069) 16.069 7.986 ( 0.000 0.000 16.069) 16.069 8.834 ( 0.000 0.000 -3.615) 3.615 9.445 ( 0.000 0.000 -8.133) 8.133 9.445 ( 0.000 0.000 -8.133) 8.133 9.481 ( 0.000 0.000 -6.769) 6.769 10.227 ( 0.000 0.000 0.616) 0.616 10.227 ( 0.000 0.000 0.616) 0.616 10.891 ( 0.000 0.000 -14.157) 14.157 11.049 ( 0.000 0.000 9.655) 9.655 11.571 ( 0.000 0.000 1.622) 1.622 11.959 ( 0.000 0.000 12.277) 12.277 12.362 ( 0.000 0.000 -0.195) 0.195 13.019 ( 0.000 0.000 0.406) 0.406 13.019 ( -0.000 -0.000 0.406) 0.406 18.232 ( -0.000 -0.000 12.431) 12.431 18.657 ( 0.000 0.000 -7.257) 7.257 18.657 ( -0.000 -0.000 -7.257) 7.257 20.152 ( -0.000 -0.000 0.799) 0.799 20.152 ( -0.000 -0.000 0.799) 0.799 20.959 ( -0.000 -0.000 -2.967) 2.967 21.192 ( 0.000 0.000 2.369) 2.369 21.196 ( 0.000 0.000 -7.132) 7.132 ======================= Grid point 82 (17/75) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 21.207 0.000 18.502) 28.144 0.823 ( 21.131 0.000 20.290) 29.295 1.409 ( 28.636 0.000 40.694) 49.760 2.205 ( 2.701 0.000 0.312) 2.719 2.620 ( -5.746 0.000 -6.040) 8.337 2.811 ( 2.906 0.000 -3.322) 4.414 2.840 ( 5.947 0.000 -2.630) 6.503 3.051 ( 1.213 0.000 -2.882) 3.127 3.085 ( 4.539 0.000 -2.732) 5.297 3.195 ( -13.132 0.000 15.343) 20.195 3.297 ( -2.994 0.000 2.385) 3.828 3.440 ( -0.591 0.000 2.742) 2.805 3.470 ( 2.016 0.000 2.663) 3.340 4.109 ( -1.950 0.000 -0.450) 2.001 4.210 ( -10.824 0.000 -1.786) 10.970 4.269 ( -2.094 0.000 -1.510) 2.582 4.375 ( 5.533 0.000 -3.398) 6.493 4.458 ( 1.921 0.000 -0.635) 2.023 4.747 ( 9.970 0.000 -7.989) 12.776 4.763 ( -3.696 0.000 8.155) 8.953 5.074 ( -0.746 0.000 7.068) 7.108 5.096 ( 2.112 0.000 10.436) 10.648 5.298 ( 7.302 0.000 4.914) 8.802 5.720 ( -7.902 0.000 4.763) 9.226 5.931 ( 4.036 0.000 -1.142) 4.194 6.262 ( -8.987 0.000 3.519) 9.651 6.554 ( -5.192 0.000 -8.862) 10.271 6.673 ( 0.386 0.000 -5.992) 6.005 6.795 ( -2.811 0.000 -15.371) 15.626 7.343 ( -8.794 0.000 7.928) 11.840 7.643 ( 49.863 0.000 -51.230) 71.490 7.779 ( -16.974 0.000 17.049) 24.058 7.921 ( -6.394 0.000 13.730) 15.145 8.794 ( -3.157 0.000 -3.258) 4.536 9.350 ( 0.162 0.000 5.280) 5.283 9.525 ( 7.359 0.000 -8.009) 10.876 9.620 ( 8.707 0.000 -6.890) 11.104 10.337 ( 10.304 0.000 -0.077) 10.304 10.650 ( 26.781 0.000 -19.016) 32.846 10.892 ( -0.110 0.000 -14.362) 14.363 11.005 ( -4.114 0.000 9.581) 10.426 11.518 ( -5.746 0.000 2.742) 6.367 11.968 ( 1.189 0.000 12.621) 12.677 12.346 ( -0.204 0.000 -7.744) 7.747 12.997 ( -2.277 0.000 -0.625) 2.362 12.998 ( -2.903 0.000 -1.454) 3.247 18.245 ( 1.374 0.000 12.793) 12.866 18.659 ( 0.195 0.000 -7.199) 7.202 18.659 ( 0.203 0.000 -7.203) 7.206 19.444 ( -43.401 0.000 45.450) 62.844 20.179 ( 2.761 0.000 0.639) 2.834 20.989 ( -3.714 0.000 2.953) 4.745 21.065 ( -2.017 0.000 -1.792) 2.697 21.190 ( -0.630 0.000 -7.023) 7.051 ======================= Grid point 83 (18/75) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 20.886 0.000 15.233) 25.851 1.240 ( 23.953 0.000 10.304) 26.076 2.033 ( 28.414 0.000 18.371) 33.836 2.310 ( 11.590 0.000 3.641) 12.149 2.472 ( -9.438 0.000 -4.245) 10.349 2.857 ( 2.122 0.000 -1.975) 2.900 2.961 ( 5.330 0.000 -3.230) 6.233 3.069 ( -1.163 0.000 6.137) 6.246 3.092 ( 3.264 0.000 -3.331) 4.663 3.248 ( 9.608 0.000 -2.680) 9.974 3.249 ( -2.015 0.000 3.081) 3.681 3.433 ( 0.151 0.000 2.771) 2.775 3.495 ( 0.526 0.000 3.751) 3.787 3.987 ( -10.991 0.000 0.115) 10.992 4.034 ( -6.725 0.000 -0.899) 6.785 4.178 ( -4.266 0.000 2.274) 4.834 4.462 ( -0.619 0.000 1.542) 1.661 4.520 ( 4.965 0.000 -1.502) 5.188 4.673 ( -5.166 0.000 7.387) 9.014 4.754 ( -5.234 0.000 -3.665) 6.389 5.107 ( 4.938 0.000 0.387) 4.953 5.190 ( 4.684 0.000 13.990) 14.753 5.461 ( 7.080 0.000 2.761) 7.600 5.532 ( -7.614 0.000 8.979) 11.773 5.918 ( -3.125 0.000 0.289) 3.138 6.131 ( -6.115 0.000 4.118) 7.372 6.435 ( -6.688 0.000 1.066) 6.773 6.671 ( -10.418 0.000 -11.159) 15.266 6.678 ( 0.409 0.000 -6.816) 6.828 7.186 ( -6.605 0.000 4.350) 7.909 7.446 ( -14.636 0.000 11.438) 18.576 7.763 ( -9.352 0.000 7.892) 12.237 8.316 ( 21.773 0.000 -37.164) 43.072 8.742 ( -2.052 0.000 -3.018) 3.649 9.466 ( 11.179 0.000 4.228) 11.952 9.697 ( 9.824 0.000 -8.790) 13.182 9.816 ( 11.245 0.000 -5.551) 12.540 10.550 ( 9.427 0.000 -2.859) 9.851 10.822 ( -8.643 0.000 1.586) 8.787 10.976 ( 3.636 0.000 -3.882) 5.319 10.999 ( 9.566 0.000 -7.369) 12.075 11.356 ( -9.953 0.000 4.332) 10.854 12.017 ( 4.318 0.000 12.443) 13.171 12.385 ( 4.085 0.000 -15.772) 16.293 12.893 ( -7.834 0.000 -3.090) 8.421 12.931 ( -4.469 0.000 -3.612) 5.746 18.285 ( 2.768 0.000 13.899) 14.172 18.661 ( -0.165 0.000 -6.538) 6.540 18.664 ( 0.306 0.000 -7.032) 7.038 18.870 ( -18.520 0.000 38.141) 42.399 20.257 ( 5.211 0.000 0.312) 5.220 20.848 ( -8.160 0.000 3.395) 8.838 21.091 ( 1.671 0.000 -5.059) 5.327 21.174 ( -0.992 0.000 -6.718) 6.790 ======================= Grid point 84 (19/75) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 18.399 0.000 8.757) 20.377 1.674 ( 20.113 0.000 5.520) 20.856 2.216 ( -1.960 0.000 4.955) 5.329 2.263 ( -11.888 0.000 0.318) 11.893 2.779 ( 24.071 0.000 2.590) 24.210 2.931 ( 7.260 0.000 2.236) 7.597 3.022 ( 1.247 0.000 -5.142) 5.291 3.079 ( 1.528 0.000 2.372) 2.821 3.154 ( 1.582 0.000 -2.618) 3.059 3.204 ( -3.165 0.000 3.218) 4.513 3.425 ( 7.024 0.000 0.714) 7.060 3.483 ( 7.685 0.000 1.782) 7.889 3.494 ( -0.374 0.000 4.771) 4.785 3.823 ( -5.075 0.000 1.271) 5.232 3.889 ( -6.595 0.000 -0.225) 6.599 4.082 ( -8.325 0.000 3.119) 8.890 4.444 ( -1.052 0.000 1.158) 1.564 4.495 ( -5.399 0.000 1.006) 5.492 4.598 ( -2.314 0.000 7.795) 8.131 4.642 ( -5.163 0.000 1.306) 5.326 5.159 ( -3.115 0.000 -0.273) 3.127 5.200 ( -3.444 0.000 14.594) 14.995 5.481 ( 10.500 0.000 8.423) 13.461 5.680 ( 10.746 0.000 -1.669) 10.875 5.882 ( -0.513 0.000 -0.608) 0.795 5.989 ( -9.006 0.000 4.774) 10.193 6.316 ( -5.037 0.000 9.549) 10.796 6.437 ( -12.107 0.000 -7.234) 14.104 6.702 ( 2.586 0.000 -2.331) 3.482 7.003 ( -12.296 0.000 18.083) 21.867 7.325 ( 1.709 0.000 -7.984) 8.164 7.581 ( -9.143 0.000 0.760) 9.175 8.581 ( 7.749 0.000 -19.592) 21.069 8.710 ( -1.460 0.000 -4.653) 4.877 9.730 ( 14.047 0.000 -5.715) 15.165 9.873 ( 7.196 0.000 -11.288) 13.387 10.042 ( 12.250 0.000 -1.783) 12.379 10.581 ( -12.156 0.000 -1.284) 12.224 10.687 ( 2.636 0.000 1.123) 2.865 10.996 ( -9.309 0.000 -1.567) 9.440 11.104 ( 7.614 0.000 -0.259) 7.619 11.239 ( -0.995 0.000 6.688) 6.762 12.150 ( 9.529 0.000 9.409) 13.392 12.470 ( 2.661 0.000 -9.856) 10.209 12.720 ( -8.137 0.000 -7.413) 11.007 12.827 ( -6.127 0.000 -8.284) 10.303 18.352 ( 4.249 0.000 15.880) 16.439 18.592 ( -8.317 0.000 20.780) 22.382 18.670 ( 0.304 0.000 -6.741) 6.748 18.683 ( -1.276 0.000 -1.043) 1.648 20.377 ( 7.082 0.000 0.164) 7.083 20.687 ( -8.480 0.000 1.526) 8.616 21.117 ( 1.043 0.000 -5.265) 5.367 21.154 ( -1.025 0.000 -6.265) 6.349 ======================= Grid point 85 (20/75) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -5.800 0.000 0.612) 5.832 1.900 ( 5.800 0.000 0.612) 5.832 2.104 ( -3.769 0.000 8.209) 9.033 2.104 ( 3.769 0.000 8.209) 9.033 3.003 ( -4.315 0.000 -5.381) 6.897 3.003 ( 4.315 0.000 -5.381) 6.897 3.111 ( -5.618 0.000 1.669) 5.860 3.111 ( 5.618 0.000 1.669) 5.860 3.130 ( -4.257 0.000 -0.344) 4.270 3.130 ( 4.257 0.000 -0.344) 4.270 3.488 ( -0.676 0.000 5.646) 5.686 3.488 ( 0.676 0.000 5.646) 5.686 3.788 ( -18.388 0.000 4.357) 18.897 3.788 ( 18.388 0.000 4.357) 18.897 3.805 ( -4.146 0.000 -0.041) 4.146 3.805 ( 4.146 0.000 -0.041) 4.146 4.433 ( -0.527 0.000 0.529) 0.747 4.433 ( 0.527 0.000 0.529) 0.747 4.581 ( -0.960 0.000 5.243) 5.330 4.581 ( 0.960 0.000 5.243) 5.330 5.128 ( -1.866 0.000 10.612) 10.775 5.128 ( 1.866 0.000 10.612) 10.775 5.750 ( -13.795 0.000 4.052) 14.378 5.750 ( 13.795 0.000 4.052) 14.378 5.856 ( -6.104 0.000 -5.519) 8.229 5.856 ( 6.104 0.000 -5.519) 8.229 6.278 ( -2.657 0.000 6.748) 7.252 6.278 ( 2.657 0.000 6.748) 7.252 6.799 ( -7.868 0.000 8.981) 11.940 6.799 ( 7.868 0.000 8.981) 11.940 7.421 ( -7.117 0.000 -5.826) 9.198 7.421 ( 7.117 0.000 -5.826) 9.198 8.673 ( -2.789 0.000 -9.472) 9.874 8.673 ( 2.789 0.000 -9.472) 9.874 9.917 ( -3.759 0.000 -13.240) 13.763 9.917 ( 3.759 0.000 -13.240) 13.763 10.303 ( -14.838 0.000 3.282) 15.197 10.303 ( 14.838 0.000 3.282) 15.197 10.797 ( -8.805 0.000 -2.506) 9.155 10.797 ( 8.805 0.000 -2.506) 9.155 11.213 ( -3.171 0.000 5.922) 6.718 11.213 ( 3.171 0.000 5.922) 6.718 12.365 ( -11.467 0.000 4.559) 12.340 12.365 ( 11.467 0.000 4.559) 12.340 12.709 ( -5.361 0.000 -13.783) 14.789 12.709 ( 5.361 0.000 -13.783) 14.789 18.451 ( -6.081 0.000 19.085) 20.030 18.451 ( 6.081 0.000 19.085) 20.030 18.675 ( -0.242 0.000 -6.117) 6.121 18.675 ( 0.242 0.000 -6.117) 6.121 20.525 ( -8.188 0.000 0.508) 8.204 20.525 ( 8.188 0.000 0.508) 8.204 21.135 ( -0.925 0.000 -5.740) 5.814 21.135 ( 0.925 0.000 -5.740) 5.814 ======================= Grid point 91 (21/75) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 12.707 12.707 17.427) 25.032 1.032 ( 14.613 14.613 20.212) 28.907 1.709 ( 26.512 26.512 28.609) 47.162 2.227 ( 2.462 2.462 0.523) 3.520 2.578 ( -4.260 -4.260 -5.691) 8.288 2.871 ( 4.107 4.107 -4.168) 7.149 2.874 ( 3.997 3.997 -1.536) 5.858 3.076 ( -1.011 -1.011 0.161) 1.439 3.083 ( 2.285 2.285 -2.385) 4.016 3.150 ( -0.452 -0.452 7.397) 7.425 3.277 ( -1.194 -1.194 4.918) 5.200 3.441 ( 0.538 0.538 0.370) 0.846 3.490 ( 1.142 1.142 3.918) 4.238 4.074 ( -2.443 -2.443 -0.280) 3.467 4.091 ( -9.508 -9.508 -0.626) 13.461 4.236 ( -4.301 -4.301 0.901) 6.148 4.444 ( 6.349 6.349 -4.441) 10.017 4.454 ( -0.535 -0.535 0.464) 0.887 4.730 ( -3.176 -3.176 7.552) 8.787 4.808 ( 2.267 2.267 -5.553) 6.412 5.050 ( 0.779 0.779 9.997) 10.057 5.121 ( 0.804 0.804 5.834) 5.944 5.344 ( 4.986 4.986 6.864) 9.840 5.763 ( -1.873 -1.873 3.799) 4.631 5.901 ( -0.717 -0.717 -2.816) 2.993 6.216 ( -15.107 -15.107 -6.732) 22.400 6.238 ( -4.708 -4.708 4.817) 8.218 6.606 ( -2.807 -2.807 -0.015) 3.970 6.906 ( -4.772 -4.772 -10.511) 12.491 7.318 ( -1.924 -1.924 5.133) 5.809 7.478 ( -19.724 -19.724 15.689) 32.004 7.961 ( -1.870 -1.870 8.177) 8.595 8.046 ( 29.206 29.206 -49.003) 64.088 8.815 ( 1.607 1.607 -2.823) 3.624 9.385 ( 3.713 3.713 5.819) 7.838 9.609 ( 7.777 7.777 -8.027) 13.616 9.704 ( 8.120 8.120 -6.023) 12.967 10.478 ( 10.579 10.579 0.750) 14.979 10.739 ( 7.545 7.545 -20.017) 22.683 10.920 ( 3.354 3.354 -13.847) 14.637 10.959 ( -4.493 -4.493 10.324) 12.123 11.462 ( -5.896 -5.896 3.573) 9.072 11.848 ( -7.325 -7.325 15.249) 18.435 12.502 ( 10.742 10.742 -15.163) 21.464 12.846 ( -8.776 -8.776 0.188) 12.412 13.091 ( 2.856 2.856 -3.284) 5.206 18.258 ( 1.352 1.352 13.135) 13.274 18.655 ( -0.096 -0.096 -7.239) 7.240 18.665 ( 0.267 0.267 -7.048) 7.058 19.164 ( -21.620 -21.620 47.204) 56.242 20.158 ( 0.221 0.221 0.544) 0.627 20.923 ( -6.470 -6.470 4.177) 10.058 21.080 ( 2.115 2.115 -5.170) 5.973 21.205 ( 0.437 0.437 -6.319) 6.349 ======================= Grid point 92 (22/75) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 23.282 2.871 10.836) 25.841 1.350 ( 17.706 8.926 15.045) 24.890 2.214 ( 13.172 13.500 9.429) 21.087 2.359 ( 20.460 7.100 7.369) 22.876 2.459 ( -7.928 -1.491 -3.835) 8.932 2.901 ( 0.923 4.260 -1.718) 4.685 2.998 ( 5.462 1.938 -2.100) 6.165 3.047 ( 0.003 -1.689 2.154) 2.737 3.126 ( 2.141 3.778 -1.399) 4.562 3.204 ( 1.821 -1.253 1.240) 2.535 3.317 ( 7.309 4.870 2.978) 9.274 3.452 ( 0.632 1.601 0.447) 1.779 3.503 ( 0.308 0.673 3.497) 3.575 3.906 ( -8.428 -5.719 1.729) 10.331 4.013 ( -5.502 -3.256 -0.581) 6.420 4.130 ( -4.431 -4.470 2.588) 6.805 4.440 ( -0.843 -1.835 1.019) 2.262 4.553 ( 1.923 2.002 -1.880) 3.353 4.658 ( -3.412 -0.745 7.533) 8.303 4.772 ( -4.556 0.943 -0.486) 4.678 5.077 ( 2.360 -0.983 2.852) 3.830 5.207 ( 7.220 -1.547 7.454) 10.492 5.458 ( 5.280 0.766 5.466) 7.638 5.583 ( -13.699 5.913 5.157) 15.787 5.817 ( -6.425 -10.360 4.052) 12.846 6.093 ( -1.610 -7.098 1.287) 7.392 6.190 ( 0.774 -18.075 -1.864) 18.187 6.495 ( -10.208 -2.809 1.502) 10.693 6.709 ( -11.248 -10.750 -3.630) 15.977 7.082 ( -17.697 -17.077 16.369) 29.542 7.344 ( 2.062 1.673 -0.436) 2.691 7.856 ( -7.617 7.086 -0.051) 10.403 8.525 ( 18.579 16.377 -34.537) 42.499 8.842 ( 1.172 8.026 -3.114) 8.688 9.510 ( 9.720 4.226 3.968) 11.318 9.779 ( 9.138 8.094 -9.052) 15.197 9.902 ( 11.426 7.919 -5.612) 14.992 10.633 ( 4.260 8.141 -4.665) 10.305 10.796 ( -7.733 -2.795 2.856) 8.704 10.921 ( 7.859 -4.198 -4.601) 10.027 11.021 ( 4.260 0.922 -6.371) 7.719 11.307 ( -8.732 -4.835 4.680) 11.024 11.772 ( 0.033 -14.876 12.731) 19.580 12.611 ( -6.939 -0.248 -4.023) 8.025 12.726 ( 3.636 5.256 -13.569) 14.998 13.107 ( -1.003 8.497 -5.274) 10.051 18.297 ( 2.687 1.249 14.191) 14.497 18.655 ( -0.041 -0.376 -6.913) 6.923 18.667 ( -0.217 -0.038 -6.051) 6.055 18.812 ( -13.627 -5.362 35.249) 38.170 20.205 ( 4.284 -3.759 0.321) 5.708 20.778 ( -8.130 -6.400 2.229) 10.584 21.119 ( 1.675 2.287 -5.014) 5.760 21.201 ( -0.738 1.873 -6.021) 6.348 ======================= Grid point 93 (23/75) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 19.972 3.055 6.408) 21.196 1.696 ( 18.152 3.831 7.469) 19.999 2.251 ( -5.771 2.777 2.112) 6.744 2.288 ( -8.100 3.033 2.515) 9.007 2.817 ( 17.006 2.964 -0.424) 17.268 2.944 ( 4.937 1.036 2.419) 5.594 3.027 ( -0.328 -1.074 -1.650) 1.996 3.090 ( 1.464 0.287 -0.912) 1.748 3.175 ( 2.275 3.627 -1.610) 4.575 3.215 ( 0.404 2.423 6.651) 7.090 3.465 ( 3.369 2.795 0.609) 4.420 3.498 ( 3.168 0.480 3.238) 4.555 3.534 ( 7.770 5.102 1.278) 9.382 3.784 ( -4.699 -1.630 3.834) 6.280 3.883 ( -4.797 -1.034 0.160) 4.910 4.073 ( -3.604 -1.960 2.572) 4.842 4.424 ( -0.599 -1.533 0.874) 1.864 4.502 ( -4.547 -0.502 1.054) 4.694 4.604 ( -2.505 0.772 6.073) 6.615 4.670 ( -5.589 3.197 3.044) 7.122 5.114 ( -1.249 -4.059 4.330) 6.065 5.248 ( -9.274 3.370 7.957) 12.676 5.430 ( 7.334 -6.671 7.191) 12.247 5.541 ( 5.078 -10.176 -1.249) 11.441 5.801 ( 2.201 -7.800 4.886) 9.464 5.997 ( -6.922 -0.578 4.745) 8.412 6.229 ( -7.502 -15.464 -2.061) 17.310 6.273 ( -1.441 -6.673 6.090) 9.148 6.557 ( -4.327 -12.817 1.689) 13.632 6.782 ( -13.034 -19.165 17.091) 28.797 7.417 ( 5.259 8.590 -5.947) 11.697 7.696 ( -8.460 11.055 -5.213) 14.865 8.765 ( 7.234 15.221 -19.488) 25.764 8.858 ( 0.280 12.255 -5.163) 13.301 9.748 ( 13.565 1.577 -4.013) 14.234 9.935 ( 5.949 6.187 -11.993) 14.748 10.119 ( 10.872 7.473 -3.169) 13.568 10.576 ( -12.218 -0.485 2.292) 12.441 10.684 ( 1.410 -0.154 -2.643) 3.000 10.960 ( -9.798 -3.682 -1.923) 10.642 11.102 ( 8.278 -0.009 -0.019) 8.278 11.227 ( 0.071 -1.112 6.451) 6.546 11.860 ( 9.077 -19.243 6.771) 22.328 12.382 ( -14.047 -15.302 0.016) 20.772 12.848 ( 6.538 18.531 -15.072) 24.766 13.059 ( -3.843 13.710 -7.853) 16.261 18.362 ( 4.053 0.978 16.078) 16.610 18.583 ( -7.556 -0.871 21.359) 22.673 18.664 ( 0.278 -0.565 -6.260) 6.291 18.680 ( -0.958 -0.323 -2.811) 2.988 20.312 ( 6.651 -5.607 0.179) 8.701 20.616 ( -8.526 -6.584 1.003) 10.819 21.145 ( 1.070 2.362 -5.087) 5.710 21.183 ( -1.010 2.325 -5.729) 6.265 ======================= Grid point 94 (24/75) ======================= q-point: (-0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -4.573 2.934 0.076) 5.434 1.928 ( 4.573 2.934 0.076) 5.434 2.136 ( -5.014 3.360 8.294) 10.258 2.136 ( 5.014 3.360 8.294) 10.258 2.977 ( -4.083 -2.197 -4.589) 6.523 2.977 ( 4.083 -2.197 -4.589) 6.523 3.070 ( -3.712 -2.076 0.184) 4.257 3.070 ( 3.712 -2.076 0.184) 4.257 3.209 ( -1.447 5.632 2.477) 6.320 3.209 ( 1.447 5.632 2.477) 6.320 3.512 ( -1.122 2.130 4.740) 5.316 3.512 ( 1.122 2.130 4.740) 5.316 3.699 ( -4.986 -3.869 1.562) 6.502 3.699 ( 4.986 -3.869 1.562) 6.502 3.934 ( -9.332 6.768 2.920) 11.892 3.934 ( 9.332 6.768 2.920) 11.892 4.434 ( -2.050 0.709 0.043) 2.170 4.434 ( 2.050 0.709 0.043) 2.170 4.590 ( -1.760 1.160 4.541) 5.006 4.590 ( 1.760 1.160 4.541) 5.006 5.100 ( -2.973 -3.532 10.813) 11.757 5.100 ( 2.973 -3.532 10.813) 11.757 5.608 ( -3.310 -12.525 -1.045) 12.997 5.608 ( 3.310 -12.525 -1.045) 12.997 5.831 ( -5.985 -3.335 1.739) 7.068 5.831 ( 5.985 -3.335 1.739) 7.068 6.210 ( -5.752 -6.414 7.941) 11.717 6.210 ( 5.752 -6.414 7.941) 11.717 6.588 ( -6.917 -17.908 9.564) 21.448 6.588 ( 6.917 -17.908 9.564) 21.448 7.541 ( -7.415 11.255 -7.273) 15.315 7.541 ( 7.415 11.255 -7.273) 15.315 8.845 ( -1.901 14.558 -9.931) 17.725 8.845 ( 1.901 14.558 -9.931) 17.725 9.952 ( -5.399 2.854 -12.809) 14.190 9.952 ( 5.399 2.854 -12.809) 14.190 10.333 ( -11.958 3.487 3.332) 12.894 10.333 ( 11.958 3.487 3.332) 12.894 10.770 ( -7.917 -2.723 -3.202) 8.964 10.770 ( 7.917 -2.723 -3.202) 8.964 11.210 ( -2.894 -0.298 5.914) 6.591 11.210 ( 2.894 -0.298 5.914) 6.591 12.099 ( -14.555 -18.734 1.642) 23.781 12.099 ( 14.555 -18.734 1.642) 23.781 12.966 ( -5.611 17.592 -11.307) 21.652 12.966 ( 5.611 17.592 -11.307) 21.652 18.455 ( -5.651 0.384 19.091) 19.914 18.455 ( 5.651 0.384 19.091) 19.914 18.671 ( -0.388 -0.436 -6.190) 6.217 18.671 ( 0.388 -0.436 -6.190) 6.217 20.455 ( -8.036 -6.417 0.358) 10.290 20.455 ( 8.036 -6.417 0.358) 10.290 21.164 ( -0.957 2.398 -5.388) 5.975 21.164 ( 0.957 2.398 -5.388) 5.975 ======================= Grid point 101 (25/75) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 15.365 15.365 9.617) 23.762 1.568 ( 12.955 12.955 11.194) 21.470 2.357 ( 2.349 2.349 -0.323) 3.337 2.414 ( -2.168 -2.168 -0.964) 3.214 2.630 ( 15.292 15.292 6.692) 22.638 2.987 ( 0.741 0.741 -0.562) 1.189 3.002 ( 1.930 1.930 0.695) 2.817 3.016 ( -1.117 -1.117 0.732) 1.741 3.221 ( 3.734 3.734 5.828) 7.864 3.228 ( 5.053 5.053 -2.720) 7.646 3.427 ( 4.175 4.175 3.383) 6.805 3.482 ( 1.380 1.380 -1.531) 2.480 3.543 ( 5.479 5.479 2.225) 8.061 3.831 ( -0.689 -0.689 5.265) 5.354 3.920 ( -6.263 -6.263 -0.119) 8.857 4.031 ( -4.565 -4.565 3.075) 7.151 4.410 ( -0.866 -0.866 -0.139) 1.232 4.519 ( -4.838 -4.838 2.356) 7.236 4.688 ( 1.523 1.523 4.217) 4.735 4.747 ( -2.626 -2.626 4.459) 5.803 5.091 ( -4.213 -4.213 -0.463) 5.976 5.131 ( 1.932 1.932 0.323) 2.752 5.532 ( 4.035 4.035 11.073) 12.456 5.536 ( -13.087 -13.087 12.419) 22.289 5.721 ( -5.060 -5.060 1.366) 7.286 5.783 ( -4.651 -4.651 -1.604) 6.770 6.055 ( -4.895 -4.895 4.696) 8.366 6.373 ( -17.899 -17.899 5.166) 25.834 6.448 ( -5.654 -5.654 0.525) 8.013 6.706 ( -18.411 -18.411 17.028) 31.111 7.455 ( 7.802 7.802 -3.094) 11.460 7.956 ( 1.995 1.995 -6.953) 7.504 8.831 ( 14.361 14.361 -27.803) 34.430 8.987 ( 6.529 6.529 -4.465) 10.257 9.619 ( 7.093 7.093 2.467) 10.330 9.959 ( 8.839 8.839 -10.837) 16.544 10.086 ( 10.672 10.672 -5.271) 15.986 10.708 ( -5.943 -5.943 12.016) 14.664 10.759 ( -1.932 -1.932 -20.891) 21.069 10.912 ( 9.120 9.120 2.829) 13.204 11.006 ( -3.854 -3.854 -4.272) 6.925 11.206 ( -3.638 -3.638 4.741) 6.996 11.559 ( -6.890 -6.890 14.536) 17.500 12.370 ( -15.264 -15.264 -0.131) 21.586 12.994 ( 12.721 12.721 -17.577) 25.152 13.237 ( 4.870 4.870 -7.706) 10.335 18.332 ( 2.400 2.400 15.091) 15.468 18.650 ( -0.162 -0.162 -7.242) 7.246 18.651 ( -2.553 -2.553 6.632) 7.551 18.704 ( -4.187 -4.187 16.982) 17.985 20.164 ( 0.086 0.086 0.202) 0.235 20.630 ( -8.452 -8.452 1.081) 12.001 21.161 ( 1.819 1.819 -4.813) 5.457 21.223 ( 0.409 0.409 -5.445) 5.476 ======================= Grid point 102 (26/75) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 19.894 8.611 5.697) 22.414 1.824 ( 12.938 8.313 5.375) 16.291 2.284 ( -6.568 0.708 -0.250) 6.611 2.398 ( -3.983 7.681 4.306) 9.665 2.847 ( 7.614 -0.541 -0.548) 7.653 2.959 ( -0.974 0.139 1.788) 2.041 2.996 ( -0.691 -1.486 -1.129) 1.990 3.052 ( 0.513 -3.131 1.235) 3.405 3.297 ( 2.285 7.402 -1.435) 7.879 3.318 ( 4.448 7.474 7.417) 11.431 3.489 ( 3.451 -0.147 0.066) 3.455 3.514 ( 2.582 1.435 1.188) 3.184 3.635 ( 1.475 3.750 4.821) 6.284 3.758 ( -8.493 -4.113 1.032) 9.493 3.923 ( 6.551 7.039 4.790) 10.743 3.999 ( 1.213 -4.485 2.663) 5.356 4.420 ( 1.036 -0.067 2.244) 2.472 4.440 ( -0.251 -3.312 0.360) 3.341 4.625 ( -4.057 0.937 2.644) 4.932 4.730 ( -2.081 0.237 7.140) 7.441 4.962 ( -6.094 -12.548 3.183) 14.308 5.211 ( -3.903 -7.782 -0.454) 8.718 5.296 ( -4.282 -1.798 4.990) 6.817 5.454 ( -8.166 0.898 6.818) 10.676 5.655 ( 5.116 -5.028 11.521) 13.572 5.875 ( -3.354 -16.315 0.671) 16.669 5.971 ( 0.021 -4.824 5.407) 7.246 6.095 ( -4.882 -11.707 10.686) 16.585 6.323 ( -8.542 -10.607 6.078) 14.914 6.418 ( -10.882 -16.077 12.401) 23.036 7.621 ( 9.089 11.835 -6.520) 16.284 7.925 ( -4.788 10.551 -9.703) 15.113 9.049 ( 7.668 13.029 -18.571) 23.946 9.090 ( 3.993 10.846 -7.139) 13.585 9.789 ( 10.410 2.842 -1.630) 10.913 10.070 ( 1.511 5.907 -13.142) 14.487 10.291 ( 9.874 9.015 -4.776) 14.198 10.570 ( -7.118 0.460 11.246) 13.317 10.689 ( -2.763 0.674 -13.741) 14.032 10.861 ( -9.480 -6.204 -1.882) 11.485 11.118 ( 7.919 2.194 1.510) 8.355 11.201 ( 1.714 -1.484 5.409) 5.865 11.525 ( 4.740 -14.708 9.840) 18.319 12.061 ( -16.619 -17.052 0.093) 23.811 13.184 ( 7.137 14.868 -15.484) 22.622 13.294 ( 1.074 10.303 -10.162) 14.511 18.389 ( 3.438 1.781 16.691) 17.134 18.559 ( -5.311 -1.622 22.159) 22.844 18.651 ( 0.271 -0.616 -6.786) 6.820 18.671 ( -0.715 -0.620 -5.027) 5.115 20.208 ( 4.169 -4.314 0.193) 6.002 20.466 ( -8.369 -8.366 0.537) 11.846 21.188 ( 1.112 1.894 -4.748) 5.232 21.220 ( -0.556 1.324 -5.095) 5.293 ======================= Grid point 103 (27/75) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -2.793 5.108 -1.507) 6.013 2.009 ( 2.793 5.108 -1.507) 6.013 2.235 ( -8.217 6.872 8.365) 13.590 2.235 ( 8.217 6.872 8.365) 13.590 2.938 ( -2.179 -1.709 -1.941) 3.382 2.938 ( 2.179 -1.709 -1.941) 3.382 3.020 ( -3.046 -3.285 1.425) 4.701 3.020 ( 3.046 -3.285 1.425) 4.701 3.339 ( -1.751 7.514 2.531) 8.120 3.339 ( 1.751 7.514 2.531) 8.120 3.548 ( -1.737 0.948 2.026) 2.832 3.548 ( 1.737 0.948 2.026) 2.832 3.643 ( -1.819 -1.791 2.778) 3.773 3.643 ( 1.819 -1.791 2.778) 3.773 4.002 ( -2.228 -0.088 4.125) 4.689 4.002 ( 2.228 -0.088 4.125) 4.689 4.448 ( -2.670 -1.846 0.566) 3.295 4.448 ( 2.670 -1.846 0.566) 3.295 4.656 ( -5.602 6.297 4.900) 9.749 4.656 ( 5.602 6.297 4.900) 9.749 4.962 ( -9.315 -9.457 5.664) 14.432 4.962 ( 9.315 -9.457 5.664) 14.432 5.379 ( -4.253 -8.646 1.074) 9.695 5.379 ( 4.253 -8.646 1.074) 9.695 5.731 ( -5.284 -6.292 9.182) 12.321 5.731 ( 5.284 -6.292 9.182) 12.321 6.056 ( -6.154 -8.787 9.902) 14.599 6.056 ( 6.154 -8.787 9.902) 14.599 6.259 ( -5.492 -14.427 7.632) 17.220 6.259 ( 5.492 -14.427 7.632) 17.220 7.793 ( -8.312 13.415 -9.214) 18.274 7.793 ( 8.312 13.415 -9.214) 18.274 9.126 ( -0.688 13.198 -11.278) 17.374 9.126 ( 0.688 13.198 -11.278) 17.374 9.990 ( -8.967 0.624 -8.701) 12.510 9.990 ( 8.967 0.624 -8.701) 12.510 10.450 ( -6.440 8.054 0.324) 10.317 10.450 ( 6.440 8.054 0.324) 10.317 10.704 ( -5.180 -3.433 -4.131) 7.462 10.704 ( 5.180 -3.433 -4.131) 7.462 11.202 ( -2.030 -0.499 5.875) 6.236 11.202 ( 2.030 -0.499 5.875) 6.236 11.743 ( -15.575 -17.484 2.102) 23.509 11.743 ( 15.575 -17.484 2.102) 23.509 13.278 ( -2.776 13.966 -12.783) 19.135 13.278 ( 2.776 13.966 -12.783) 19.135 18.465 ( -4.414 0.593 19.187) 19.697 18.465 ( 4.414 0.593 19.187) 19.697 18.659 ( -0.529 -0.687 -6.472) 6.530 18.659 ( 0.529 -0.687 -6.472) 6.530 20.316 ( -6.893 -7.120 0.294) 9.914 20.316 ( 6.893 -7.120 0.294) 9.914 21.207 ( -0.833 1.758 -4.858) 5.233 21.207 ( 0.833 1.758 -4.858) 5.233 ======================= Grid point 111 (28/75) ======================= q-point: ( 0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 13.380 13.380 2.279) 19.059 1.988 ( 8.079 8.079 0.914) 11.462 2.286 ( 0.249 0.249 2.529) 2.554 2.530 ( 2.745 2.745 4.226) 5.739 2.813 ( -0.910 -0.910 4.714) 4.886 2.942 ( -1.105 -1.105 0.758) 1.737 2.969 ( -1.505 -1.505 -1.555) 2.636 2.999 ( -2.772 -2.772 3.422) 5.203 3.412 ( 3.578 3.578 -2.784) 5.776 3.447 ( 4.454 4.454 -0.499) 6.318 3.529 ( 4.598 4.598 10.262) 12.149 3.530 ( 0.842 0.842 -1.887) 2.231 3.634 ( -7.251 -7.251 -0.260) 10.257 3.675 ( 0.192 0.192 8.199) 8.203 3.922 ( -0.616 -0.616 3.979) 4.074 4.051 ( 1.751 1.751 3.027) 3.910 4.276 ( -6.699 -6.699 9.726) 13.577 4.528 ( -12.234 -12.234 0.240) 17.303 4.612 ( 11.030 11.030 -3.760) 16.045 4.690 ( 3.498 3.498 5.730) 7.570 4.758 ( -6.356 -6.356 12.088) 15.064 5.186 ( 1.529 1.529 -1.941) 2.906 5.198 ( -5.827 -5.827 2.227) 8.537 5.525 ( -4.598 -4.598 7.200) 9.702 5.546 ( -5.015 -5.015 -2.508) 7.522 5.640 ( -1.194 -1.194 15.718) 15.808 5.902 ( -2.343 -2.343 6.667) 7.445 5.910 ( -4.684 -4.684 14.959) 16.360 6.125 ( -9.140 -9.140 13.987) 19.045 6.183 ( -9.663 -9.663 4.750) 14.468 7.847 ( 10.833 10.833 -8.975) 17.755 8.054 ( 2.321 2.321 -11.305) 11.772 9.252 ( 7.678 7.678 -16.292) 19.578 9.262 ( 6.720 6.720 -9.638) 13.535 9.864 ( 5.054 5.054 -1.148) 7.239 10.097 ( -3.344 -3.344 -8.754) 9.950 10.435 ( 5.998 5.998 -7.013) 11.006 10.621 ( 4.382 4.382 11.447) 13.017 10.668 ( -4.532 -4.532 -17.450) 18.590 10.767 ( -2.039 -2.039 -1.480) 3.241 11.174 ( -0.280 -0.280 4.320) 4.338 11.206 ( 5.350 5.350 2.522) 7.975 11.314 ( -5.824 -5.824 10.814) 13.594 11.737 ( -16.308 -16.308 0.631) 23.071 13.403 ( 7.802 7.802 -15.274) 18.842 13.445 ( 5.156 5.156 -12.507) 14.477 18.429 ( 2.307 2.307 17.803) 18.100 18.522 ( -2.216 -2.216 21.409) 21.637 18.644 ( -0.135 -0.135 -7.315) 7.318 18.658 ( -0.693 -0.693 -6.295) 6.371 20.164 ( -0.082 -0.082 0.269) 0.293 20.313 ( -7.089 -7.089 0.424) 10.034 21.215 ( 0.982 0.982 -4.512) 4.721 21.233 ( 0.107 0.107 -4.684) 4.686 ======================= Grid point 112 (29/75) ======================= q-point: (-0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -2.660 4.161 -3.783) 6.221 2.105 ( 2.660 4.161 -3.783) 6.221 2.405 ( -12.008 10.664 8.070) 17.973 2.405 ( 12.008 10.664 8.070) 17.973 2.892 ( -6.270 -4.744 3.851) 8.755 2.892 ( 6.270 -4.744 3.851) 8.755 2.950 ( -0.116 -2.750 0.542) 2.805 2.950 ( 0.116 -2.750 0.542) 2.805 3.467 ( -2.824 4.129 -0.254) 5.009 3.467 ( 2.824 4.129 -0.254) 5.009 3.533 ( -1.151 -1.411 -1.871) 2.611 3.533 ( 1.151 -1.411 -1.871) 2.611 3.639 ( -3.773 1.096 8.540) 9.400 3.639 ( 3.773 1.096 8.540) 9.400 3.982 ( -5.798 -0.129 4.511) 7.347 3.982 ( 5.798 -0.129 4.511) 7.347 4.299 ( -8.317 -12.107 7.060) 16.297 4.299 ( 8.317 -12.107 7.060) 16.297 4.677 ( -2.104 -3.512 6.157) 7.394 4.677 ( 2.104 -3.512 6.157) 7.394 4.978 ( -16.042 9.460 -2.596) 18.804 4.978 ( 16.042 9.460 -2.596) 18.804 5.293 ( -8.446 0.194 2.536) 8.821 5.293 ( 8.446 0.194 2.536) 8.821 5.609 ( -2.870 -6.900 10.104) 12.568 5.609 ( 2.870 -6.900 10.104) 12.568 5.902 ( -0.594 -6.284 9.844) 11.693 5.902 ( 0.594 -6.284 9.844) 11.693 6.037 ( -2.935 -8.574 10.720) 14.037 6.037 ( 2.935 -8.574 10.720) 14.037 8.015 ( -5.972 8.681 -10.937) 15.187 8.015 ( 5.972 8.681 -10.937) 15.187 9.330 ( -0.190 7.616 -12.890) 14.973 9.330 ( 0.190 7.616 -12.890) 14.973 9.984 ( -7.006 -0.848 -3.256) 7.772 9.984 ( 7.006 -0.848 -3.256) 7.772 10.546 ( -6.081 -0.543 -10.369) 12.033 10.546 ( 6.081 -0.543 -10.369) 12.033 10.719 ( -4.094 6.801 2.638) 8.365 10.719 ( 4.094 6.801 2.638) 8.365 11.189 ( -2.381 -1.014 5.645) 6.210 11.189 ( 2.381 -1.014 5.645) 6.210 11.445 ( -13.476 -12.699 2.375) 18.669 11.445 ( 13.476 -12.699 2.375) 18.669 13.487 ( -0.974 7.426 -14.234) 16.084 13.487 ( 0.974 7.426 -14.234) 16.084 18.476 ( -2.473 0.476 19.505) 19.667 18.476 ( 2.473 0.476 19.505) 19.667 18.647 ( -0.422 -0.558 -7.012) 7.047 18.647 ( 0.422 -0.558 -7.012) 7.047 20.203 ( -4.046 -4.228 0.373) 5.864 20.203 ( 4.046 -4.228 0.373) 5.864 21.229 ( -0.469 0.640 -4.483) 4.553 21.229 ( 0.469 0.640 -4.483) 4.553 ======================= Grid point 125 (30/75) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -0.000 -0.000 -4.818) 4.818 2.148 ( -0.000 -0.000 -4.818) 4.818 2.571 ( -0.000 -0.000 6.085) 6.085 2.571 ( 0.000 0.000 6.085) 6.085 2.781 ( 0.000 0.000 8.379) 8.379 2.781 ( 0.000 0.000 8.379) 8.379 2.931 ( 0.000 0.000 -0.289) 0.289 2.931 ( 0.000 0.000 -0.289) 0.289 3.475 ( 0.000 0.000 -1.485) 1.485 3.475 ( 0.000 0.000 -1.485) 1.485 3.541 ( 0.000 0.000 -2.146) 2.146 3.541 ( 0.000 0.000 -2.146) 2.146 3.657 ( 0.000 0.000 10.551) 10.551 3.657 ( 0.000 0.000 10.551) 10.551 4.020 ( -0.000 -0.000 0.274) 0.274 4.020 ( 0.000 0.000 0.274) 0.274 4.121 ( 0.000 0.000 14.264) 14.264 4.121 ( 0.000 0.000 14.264) 14.264 4.641 ( -0.000 -0.000 2.604) 2.604 4.641 ( 0.000 0.000 2.604) 2.604 5.075 ( 0.000 0.000 2.317) 2.317 5.075 ( 0.000 0.000 2.317) 2.317 5.406 ( -0.000 -0.000 -7.167) 7.167 5.406 ( 0.000 0.000 -7.167) 7.167 5.446 ( 0.000 0.000 9.655) 9.655 5.446 ( 0.000 0.000 9.655) 9.655 5.844 ( 0.000 0.000 15.266) 15.266 5.844 ( 0.000 0.000 15.266) 15.266 5.947 ( -0.000 -0.000 12.628) 12.628 5.947 ( 0.000 0.000 12.628) 12.628 8.102 ( 0.000 0.000 -11.708) 11.708 8.102 ( 0.000 0.000 -11.708) 11.708 9.407 ( 0.000 0.000 -13.616) 13.616 9.407 ( 0.000 0.000 -13.616) 13.616 9.973 ( 0.000 0.000 -0.973) 0.973 9.973 ( 0.000 0.000 -0.973) 0.973 10.524 ( 0.000 0.000 -12.788) 12.788 10.524 ( 0.000 0.000 -12.788) 12.788 10.823 ( 0.000 0.000 4.427) 4.427 10.823 ( 0.000 0.000 4.427) 4.427 11.165 ( 0.000 0.000 4.550) 4.550 11.165 ( 0.000 0.000 4.550) 4.550 11.310 ( -0.000 -0.000 2.662) 2.662 11.310 ( 0.000 0.000 2.662) 2.662 13.559 ( 0.000 0.000 -14.760) 14.760 13.559 ( 0.000 0.000 -14.760) 14.760 18.481 ( 0.000 0.000 19.759) 19.759 18.481 ( 0.000 0.000 19.759) 19.759 18.641 ( 0.000 0.000 -7.368) 7.368 18.641 ( 0.000 0.000 -7.368) 7.368 20.162 ( 0.000 0.000 0.424) 0.424 20.162 ( 0.000 0.000 0.424) 0.424 21.235 ( 0.000 0.000 -4.348) 4.348 21.235 ( 0.000 0.000 -4.348) 4.348 ======================= Grid point 162 (31/75) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 0.000 26.618) 26.618 1.066 ( 0.000 0.000 26.618) 26.618 2.118 ( 0.000 0.000 47.816) 47.816 2.181 ( 0.000 0.000 -0.002) 0.002 2.541 ( 0.000 0.000 -8.381) 8.381 2.677 ( -0.000 -0.000 -6.633) 6.633 2.677 ( 0.000 0.000 -6.633) 6.633 2.974 ( -0.000 -0.000 -4.328) 4.328 2.974 ( 0.000 0.000 -4.328) 4.328 3.392 ( 0.000 0.000 2.880) 2.880 3.481 ( 0.000 0.000 2.214) 2.214 3.481 ( 0.000 0.000 2.214) 2.214 3.732 ( 0.000 0.000 3.340) 3.340 4.022 ( 0.000 0.000 -10.398) 10.398 4.174 ( 0.000 0.000 2.852) 2.852 4.174 ( 0.000 0.000 2.852) 2.852 4.447 ( -0.000 -0.000 5.268) 5.268 4.447 ( 0.000 -0.000 5.268) 5.268 4.550 ( 0.000 0.000 0.975) 0.975 4.972 ( 0.000 0.000 8.088) 8.088 5.192 ( 0.000 0.000 2.970) 2.970 5.192 ( 0.000 0.000 2.970) 2.970 5.378 ( 0.000 0.000 8.701) 8.701 5.866 ( 0.000 0.000 -0.961) 0.961 5.866 ( -0.000 -0.000 -0.961) 0.961 6.349 ( 0.000 0.000 -3.719) 3.719 6.349 ( 0.000 0.000 -3.719) 3.719 6.537 ( 0.000 0.000 -14.807) 14.807 6.642 ( -0.000 -0.000 0.998) 0.998 6.661 ( 0.000 0.000 1.283) 1.283 7.660 ( -0.000 -0.000 9.691) 9.691 8.296 ( 0.000 0.000 14.470) 14.470 8.296 ( 0.000 0.000 14.470) 14.470 8.751 ( 0.000 0.000 -4.645) 4.645 9.215 ( 0.000 0.000 -15.382) 15.382 9.215 ( -0.000 -0.000 -15.382) 15.382 9.312 ( -0.000 -0.000 -10.189) 10.189 10.249 ( 0.000 0.000 1.685) 1.685 10.249 ( 0.000 0.000 1.685) 1.685 10.582 ( -0.000 -0.000 -17.057) 17.057 11.282 ( 0.000 0.000 13.722) 13.722 11.600 ( 0.000 0.000 1.081) 1.081 12.212 ( 0.000 0.000 13.167) 13.167 12.366 ( 0.000 0.000 0.803) 0.803 13.030 ( 0.000 0.000 0.828) 0.828 13.030 ( 0.000 0.000 0.828) 0.828 18.483 ( 0.000 0.000 -10.050) 10.050 18.483 ( 0.000 0.000 -10.050) 10.050 18.570 ( 0.000 0.000 22.380) 22.380 20.163 ( 0.000 0.000 0.192) 0.192 20.163 ( 0.000 0.000 0.192) 0.192 20.897 ( 0.000 0.000 -3.294) 3.294 20.993 ( -0.000 -0.000 -14.144) 14.144 21.240 ( 0.000 0.000 2.373) 2.373 ======================= Grid point 163 (32/75) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 12.592 0.000 22.892) 26.127 1.238 ( 15.343 0.000 22.650) 27.357 2.192 ( 3.706 0.000 15.458) 15.896 2.244 ( 10.326 0.000 24.623) 26.700 2.485 ( -4.576 0.000 -7.348) 8.656 2.732 ( 5.189 0.000 -4.154) 6.647 2.750 ( 6.014 0.000 -6.893) 9.148 2.980 ( 0.725 0.000 -4.415) 4.475 3.009 ( 3.571 0.000 -5.205) 6.312 3.351 ( -2.471 0.000 2.970) 3.863 3.425 ( -10.124 0.000 8.224) 13.043 3.513 ( -4.600 0.000 6.318) 7.816 3.516 ( 2.317 0.000 1.631) 2.834 4.076 ( 2.174 0.000 -3.026) 3.726 4.173 ( -8.275 0.000 -1.602) 8.429 4.228 ( 7.095 0.000 -1.013) 7.167 4.385 ( -5.063 0.000 3.623) 6.226 4.461 ( 3.443 0.000 -0.131) 3.445 4.688 ( 6.635 0.000 2.290) 7.019 4.929 ( -4.071 0.000 8.265) 9.213 5.191 ( -1.434 0.000 3.847) 4.106 5.276 ( 8.727 0.000 6.347) 10.791 5.398 ( 2.927 0.000 4.426) 5.306 5.854 ( -1.651 0.000 6.558) 6.762 5.995 ( 7.654 0.000 4.737) 9.001 6.251 ( -5.628 0.000 -1.802) 5.909 6.343 ( 0.312 0.000 -6.132) 6.140 6.546 ( -2.024 0.000 -9.586) 9.797 6.643 ( -1.985 0.000 1.374) 2.414 6.954 ( 27.986 0.000 -22.181) 35.710 7.525 ( -10.775 0.000 8.244) 13.567 8.089 ( -17.366 0.000 13.825) 22.197 8.203 ( -9.174 0.000 14.371) 17.049 8.710 ( -3.030 0.000 -5.519) 6.296 9.251 ( 3.929 0.000 -13.394) 13.958 9.301 ( 7.427 0.000 -14.841) 16.596 9.457 ( 11.644 0.000 -8.595) 14.473 10.341 ( 8.016 0.000 0.133) 8.017 10.474 ( 20.452 0.000 -2.840) 20.649 10.579 ( 0.541 0.000 -16.643) 16.652 11.243 ( -3.971 0.000 13.929) 14.484 11.576 ( -2.974 0.000 2.816) 4.096 12.227 ( 1.492 0.000 13.295) 13.379 12.273 ( -8.080 0.000 -1.369) 8.195 12.983 ( -4.842 0.000 -0.646) 4.885 12.992 ( -4.090 0.000 0.379) 4.108 18.481 ( -0.136 0.000 -9.119) 9.120 18.487 ( 0.318 0.000 -9.977) 9.982 18.595 ( 2.548 0.000 21.797) 21.946 19.925 ( -21.023 0.000 12.670) 24.545 20.187 ( 2.408 0.000 -0.021) 2.408 20.930 ( 2.332 0.000 -5.609) 6.074 20.990 ( -0.283 0.000 -13.887) 13.890 21.124 ( -9.836 0.000 4.416) 10.782 ======================= Grid point 164 (33/75) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 17.564 0.000 16.242) 23.922 1.559 ( 16.188 0.000 18.164) 24.331 2.267 ( 4.264 0.000 4.223) 6.001 2.385 ( -5.603 0.000 -4.161) 6.979 2.516 ( 14.600 0.000 12.485) 19.210 2.862 ( 8.001 0.000 5.282) 9.588 2.862 ( 4.489 0.000 -7.150) 8.442 3.009 ( 2.503 0.000 -5.168) 5.743 3.117 ( 8.309 0.000 -3.290) 8.937 3.270 ( -3.963 0.000 8.046) 8.970 3.321 ( -0.735 0.000 3.985) 4.053 3.507 ( 1.772 0.000 5.188) 5.482 3.556 ( 1.711 0.000 1.799) 2.482 3.989 ( -9.018 0.000 0.298) 9.023 4.030 ( -6.917 0.000 0.963) 6.984 4.244 ( -3.713 0.000 4.516) 5.847 4.480 ( -1.151 0.000 -1.895) 2.217 4.486 ( 11.757 0.000 -1.023) 11.801 4.736 ( -0.356 0.000 4.469) 4.483 4.828 ( -5.938 0.000 6.996) 9.176 5.124 ( -4.154 0.000 1.632) 4.463 5.482 ( 10.556 0.000 12.055) 16.023 5.501 ( 7.261 0.000 0.351) 7.270 5.800 ( -3.137 0.000 18.200) 18.468 5.982 ( -7.553 0.000 8.914) 11.684 6.202 ( -1.699 0.000 2.374) 2.920 6.401 ( 6.179 0.000 -5.739) 8.433 6.486 ( -4.315 0.000 -7.270) 8.454 6.583 ( -4.108 0.000 0.004) 4.108 7.155 ( -6.989 0.000 -7.418) 10.192 7.624 ( 2.716 0.000 -9.790) 10.159 7.797 ( 5.207 0.000 0.638) 5.246 7.970 ( -14.195 0.000 13.111) 19.324 8.656 ( -2.662 0.000 -5.954) 6.522 9.359 ( 7.019 0.000 -14.082) 15.734 9.457 ( 8.092 0.000 -15.861) 17.806 9.699 ( 13.123 0.000 -6.301) 14.558 10.420 ( -1.578 0.000 -12.225) 12.327 10.699 ( 12.162 0.000 -5.006) 13.152 10.891 ( 19.139 0.000 -3.309) 19.423 11.146 ( -5.136 0.000 13.842) 14.764 11.463 ( -8.592 0.000 6.475) 10.759 12.143 ( -3.348 0.000 -9.023) 9.624 12.271 ( 3.228 0.000 13.054) 13.447 12.847 ( -9.203 0.000 -4.766) 10.364 12.872 ( -8.262 0.000 0.113) 8.263 18.481 ( 0.121 0.000 -8.887) 8.887 18.493 ( 0.263 0.000 -9.841) 9.844 18.665 ( 4.626 0.000 22.570) 23.039 19.501 ( -20.576 0.000 25.643) 32.877 20.257 ( 4.851 0.000 -0.457) 4.873 20.918 ( -10.245 0.000 1.723) 10.389 20.966 ( 0.590 0.000 -5.960) 5.989 20.983 ( -0.363 0.000 -13.167) 13.172 ======================= Grid point 165 (34/75) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 14.603 0.000 10.079) 17.743 1.828 ( 11.305 0.000 13.011) 17.236 2.280 ( -4.730 0.000 1.733) 5.038 2.319 ( -0.213 0.000 5.323) 5.327 2.741 ( 9.392 0.000 -4.818) 10.555 2.907 ( 0.538 0.000 -6.595) 6.617 2.993 ( 4.783 0.000 -1.019) 4.890 3.060 ( 1.683 0.000 -6.947) 7.148 3.182 ( -1.424 0.000 8.594) 8.711 3.299 ( -2.613 0.000 5.914) 6.465 3.456 ( 21.781 0.000 4.422) 22.225 3.560 ( 2.772 0.000 5.608) 6.256 3.574 ( -0.059 0.000 3.028) 3.028 3.860 ( -3.663 0.000 3.113) 4.807 3.879 ( -6.105 0.000 -0.903) 6.172 4.173 ( -6.021 0.000 6.212) 8.651 4.441 ( -2.124 0.000 -2.955) 3.639 4.538 ( -6.989 0.000 3.324) 7.740 4.719 ( -0.676 0.000 8.302) 8.330 4.762 ( -1.388 0.000 8.316) 8.431 5.137 ( 7.623 0.000 -0.616) 7.648 5.560 ( -5.758 0.000 20.240) 21.043 5.658 ( 8.646 0.000 1.180) 8.727 5.786 ( 2.823 0.000 19.352) 19.557 5.874 ( -0.651 0.000 -0.823) 1.049 6.095 ( -9.221 0.000 6.232) 11.129 6.371 ( -5.949 0.000 1.201) 6.069 6.457 ( -5.334 0.000 4.917) 7.255 6.613 ( 12.098 0.000 -7.036) 13.995 7.121 ( 1.805 0.000 -11.571) 11.711 7.329 ( -14.746 0.000 13.498) 19.990 7.679 ( -15.530 0.000 10.199) 18.580 8.193 ( 18.649 0.000 -18.167) 26.035 8.592 ( -4.552 0.000 -7.424) 8.709 9.506 ( 7.507 0.000 -16.912) 18.503 9.589 ( 4.793 0.000 -18.076) 18.701 9.956 ( 13.185 0.000 -7.455) 15.146 10.341 ( -5.897 0.000 -16.308) 17.341 10.875 ( 2.517 0.000 10.129) 10.437 11.058 ( -4.397 0.000 7.260) 8.488 11.141 ( 7.335 0.000 5.166) 8.972 11.347 ( -0.460 0.000 4.760) 4.782 12.179 ( 7.028 0.000 -16.289) 17.740 12.355 ( 5.587 0.000 11.071) 12.400 12.636 ( -12.314 0.000 -10.725) 16.329 12.688 ( -10.260 0.000 1.596) 10.383 18.485 ( 0.316 0.000 -9.296) 9.302 18.495 ( -0.051 0.000 -9.744) 9.744 18.775 ( 6.843 0.000 24.545) 25.481 19.164 ( -14.409 0.000 28.207) 31.674 20.373 ( 7.168 0.000 -0.646) 7.197 20.717 ( -10.180 0.000 1.162) 10.246 20.975 ( 0.149 0.000 -9.136) 9.137 20.978 ( -0.204 0.000 -12.093) 12.095 ======================= Grid point 166 (35/75) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -1.683 0.000 6.684) 6.893 1.971 ( 1.683 0.000 6.684) 6.893 2.259 ( -3.688 0.000 7.728) 8.562 2.259 ( 3.688 0.000 7.728) 8.562 2.880 ( -4.076 0.000 -6.758) 7.892 2.880 ( 4.075 0.000 -6.758) 7.892 3.056 ( -1.886 0.000 -6.236) 6.514 3.056 ( 1.886 0.000 -6.236) 6.514 3.209 ( -4.852 0.000 6.604) 8.194 3.209 ( 4.852 0.000 6.604) 8.194 3.573 ( -0.311 0.000 2.614) 2.633 3.573 ( 0.311 0.000 2.614) 2.633 3.814 ( -3.669 0.000 0.998) 3.802 3.814 ( 3.669 0.000 0.998) 3.802 3.925 ( -17.598 0.000 9.693) 20.091 3.925 ( 17.598 0.000 9.693) 20.091 4.430 ( -1.970 0.000 -1.472) 2.459 4.430 ( 1.970 0.000 -1.472) 2.459 4.725 ( -1.451 0.000 9.995) 10.100 4.725 ( 1.451 0.000 9.995) 10.100 5.352 ( -12.575 0.000 10.751) 16.545 5.352 ( 12.575 0.000 10.751) 16.545 5.828 ( -7.338 0.000 0.583) 7.361 5.828 ( 7.338 0.000 0.583) 7.361 5.900 ( -8.569 0.000 13.017) 15.584 5.900 ( 8.569 0.000 13.017) 15.584 6.349 ( -3.929 0.000 2.503) 4.658 6.349 ( 3.929 0.000 2.503) 4.658 6.905 ( -16.961 0.000 -2.658) 17.168 6.905 ( 16.961 0.000 -2.658) 17.168 7.393 ( -13.248 0.000 6.853) 14.916 7.393 ( 13.248 0.000 6.853) 14.916 8.460 ( -9.689 0.000 -11.645) 15.149 8.460 ( 9.689 0.000 -11.645) 15.149 9.613 ( -2.633 0.000 -18.849) 19.032 9.613 ( 2.633 0.000 -18.849) 19.032 10.188 ( -10.255 0.000 -12.669) 16.299 10.188 ( 10.255 0.000 -12.669) 16.299 10.920 ( -5.381 0.000 12.909) 13.986 10.920 ( 5.381 0.000 12.909) 13.986 11.305 ( -6.229 0.000 3.774) 7.283 11.305 ( 6.229 0.000 3.774) 7.283 12.380 ( -12.120 0.000 -14.107) 18.599 12.380 ( 12.120 0.000 -14.107) 18.599 12.501 ( -8.125 0.000 4.235) 9.163 12.501 ( 8.125 0.000 4.235) 9.163 18.492 ( -0.299 0.000 -9.613) 9.617 18.492 ( 0.299 0.000 -9.613) 9.617 18.934 ( -9.828 0.000 26.760) 28.508 18.934 ( 9.828 0.000 26.760) 28.508 20.530 ( -9.030 0.000 -0.149) 9.032 20.530 ( 9.030 0.000 -0.149) 9.032 20.976 ( -0.004 0.000 -10.752) 10.752 20.976 ( 0.004 0.000 -10.752) 10.752 ======================= Grid point 172 (36/75) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 8.084 8.084 22.225) 24.993 1.414 ( 12.505 12.505 19.963) 26.670 2.240 ( 2.973 2.973 0.769) 4.274 2.338 ( 10.794 10.794 30.646) 34.238 2.456 ( -2.830 -2.830 -6.290) 7.455 2.792 ( 6.109 6.109 -2.106) 8.893 2.807 ( 5.086 5.086 -5.673) 9.161 2.997 ( 0.780 0.780 -5.690) 5.796 3.019 ( 2.294 2.294 -4.304) 5.390 3.310 ( -4.079 -4.079 5.838) 8.208 3.427 ( -1.000 -1.000 11.035) 11.125 3.433 ( -1.388 -1.388 -1.558) 2.506 3.573 ( 1.916 1.916 4.683) 5.410 4.074 ( -0.840 -0.840 0.923) 1.504 4.077 ( -7.563 -7.563 -0.673) 10.716 4.247 ( 1.500 1.500 -0.806) 2.269 4.402 ( 1.577 1.577 1.638) 2.767 4.473 ( 0.518 0.518 0.485) 0.879 4.742 ( 3.504 3.504 0.231) 4.961 4.893 ( -3.515 -3.515 8.230) 9.615 5.212 ( 0.188 0.188 2.534) 2.548 5.233 ( -0.527 -0.527 6.594) 6.636 5.488 ( 6.988 6.988 6.748) 11.967 5.829 ( -1.506 -1.506 -1.452) 2.578 5.985 ( -0.599 -0.599 12.098) 12.128 6.143 ( -7.539 -7.539 5.047) 11.796 6.298 ( -2.579 -2.579 1.766) 4.052 6.621 ( -2.306 -2.306 1.894) 3.771 6.667 ( 1.695 1.695 -13.113) 13.330 7.208 ( 23.720 23.720 -30.324) 45.220 7.425 ( -8.337 -8.337 5.524) 13.020 7.867 ( -14.525 -14.525 15.264) 25.592 8.156 ( -7.637 -7.637 11.504) 15.780 8.730 ( 1.308 1.308 -6.326) 6.591 9.293 ( 4.150 4.150 -13.502) 14.723 9.388 ( 7.556 7.556 -14.523) 18.031 9.564 ( 9.545 9.545 -7.573) 15.478 10.459 ( 1.520 1.520 -12.161) 12.349 10.507 ( 11.015 11.015 2.235) 15.738 10.649 ( 8.558 8.558 -11.730) 16.854 11.204 ( -3.886 -3.886 14.183) 15.211 11.543 ( -3.774 -3.774 4.394) 6.913 12.085 ( -8.992 -8.992 7.855) 14.946 12.372 ( 5.551 5.551 1.081) 7.924 12.852 ( -9.033 -9.033 0.489) 12.784 13.039 ( 0.362 0.362 -2.334) 2.390 18.482 ( -0.075 -0.075 -10.014) 10.015 18.486 ( 0.116 0.116 -8.641) 8.642 18.619 ( 2.384 2.384 21.759) 22.019 19.779 ( -14.857 -14.857 20.007) 29.013 20.162 ( -0.065 -0.065 -0.217) 0.236 20.944 ( -3.604 -3.604 -8.995) 10.339 20.961 ( 0.805 0.805 -5.587) 5.702 21.082 ( -2.905 -2.905 -1.435) 4.351 ======================= Grid point 173 (37/75) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 17.093 2.579 16.933) 24.198 1.661 ( 12.413 7.388 16.757) 22.124 2.302 ( 2.561 2.812 1.476) 4.080 2.391 ( -3.053 0.754 -2.160) 3.815 2.576 ( 11.295 5.300 6.787) 14.203 2.897 ( 3.590 3.543 -1.462) 5.252 2.944 ( 7.321 5.813 -0.109) 9.349 3.016 ( 1.663 2.363 -2.961) 4.137 3.130 ( 9.680 1.642 -0.005) 9.818 3.243 ( -1.199 -0.776 5.192) 5.385 3.384 ( -0.910 3.787 0.411) 3.916 3.485 ( 3.639 -0.057 3.972) 5.387 3.586 ( 0.112 1.348 6.491) 6.631 3.943 ( -5.095 -1.433 2.073) 5.684 4.031 ( -5.176 -2.077 3.016) 6.341 4.196 ( -4.147 -4.327 4.101) 7.262 4.449 ( -0.880 -0.943 -1.281) 1.818 4.546 ( 8.477 2.922 1.696) 9.126 4.760 ( -1.840 2.357 1.891) 3.538 4.806 ( -4.443 -2.132 6.330) 8.022 5.135 ( -4.768 0.825 2.571) 5.480 5.343 ( 8.726 -8.531 3.690) 12.749 5.622 ( 5.246 7.036 9.114) 12.653 5.765 ( -4.981 -1.425 12.364) 13.405 5.947 ( -6.346 -4.085 11.615) 13.851 6.085 ( 5.069 -13.120 1.343) 14.129 6.235 ( -4.045 -3.913 4.803) 7.398 6.534 ( -7.017 -2.069 2.493) 7.729 6.614 ( -5.299 -2.705 -5.772) 8.289 7.226 ( -5.236 5.754 -4.465) 8.970 7.425 ( -12.041 -17.484 7.146) 22.399 7.880 ( 6.155 8.167 -7.120) 12.461 7.995 ( 4.797 4.334 -4.824) 8.067 8.743 ( -0.071 6.462 -7.461) 9.871 9.402 ( 6.928 4.006 -14.091) 16.205 9.538 ( 7.147 7.618 -15.753) 18.902 9.776 ( 11.824 7.322 -7.074) 15.603 10.418 ( -3.530 -0.725 -15.543) 15.955 10.758 ( 11.972 6.406 -0.841) 13.604 10.908 ( 14.800 1.722 -3.502) 15.306 11.110 ( -4.779 -3.545 14.096) 15.301 11.419 ( -8.452 -4.552 6.887) 11.815 11.942 ( -4.640 -11.648 3.561) 13.034 12.481 ( 5.846 12.732 -1.924) 14.141 12.643 ( -12.364 -12.695 -0.848) 17.741 13.004 ( -3.833 5.521 -5.217) 8.509 18.480 ( 0.002 -0.083 -9.478) 9.478 18.490 ( 0.197 -0.229 -9.245) 9.250 18.684 ( 4.381 2.009 22.922) 23.423 19.446 ( -17.337 -5.685 27.668) 33.143 20.204 ( 4.031 -3.948 -0.486) 5.663 20.807 ( -8.783 -8.017 -1.075) 11.940 20.991 ( 1.211 2.200 -7.828) 8.221 21.043 ( -1.325 2.773 -9.195) 9.695 ======================= Grid point 174 (38/75) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 15.322 1.474 10.834) 18.823 1.876 ( 9.548 3.531 11.140) 15.091 2.281 ( -2.857 0.767 2.113) 3.635 2.373 ( -1.282 4.816 5.168) 7.179 2.743 ( 6.894 0.887 -5.694) 8.985 2.934 ( -0.072 0.974 -5.568) 5.653 3.024 ( 0.784 2.730 -0.411) 2.869 3.049 ( 2.117 -0.385 -4.471) 4.961 3.196 ( 0.994 1.949 4.898) 5.364 3.330 ( -0.533 2.442 3.373) 4.198 3.492 ( 11.486 -0.912 3.226) 11.965 3.553 ( 6.841 4.386 0.393) 8.136 3.610 ( 2.046 3.256 9.201) 9.972 3.881 ( -7.593 -0.733 4.251) 8.733 3.905 ( 1.459 5.472 4.271) 7.093 4.151 ( -2.126 -2.600 5.433) 6.387 4.414 ( -1.872 -2.392 -2.458) 3.908 4.567 ( -7.969 2.332 4.280) 9.341 4.706 ( -0.694 -1.038 6.970) 7.081 4.776 ( -1.776 1.756 6.909) 7.347 5.123 ( 6.043 -2.431 0.139) 6.515 5.528 ( 8.621 -11.621 1.819) 14.583 5.554 ( -9.425 -1.491 19.079) 21.332 5.727 ( -0.401 -2.636 19.860) 20.038 5.878 ( -0.009 -0.901 2.258) 2.431 6.109 ( -8.768 -0.655 7.127) 11.318 6.192 ( 2.790 -13.003 1.412) 13.374 6.418 ( -4.432 -3.940 5.922) 8.380 6.556 ( 3.960 -7.233 -2.082) 8.505 7.114 ( -16.648 -17.488 13.255) 27.544 7.252 ( 5.656 10.124 -8.751) 14.528 7.676 ( -13.333 1.525 5.696) 14.579 8.366 ( 17.555 14.584 -19.955) 30.316 8.719 ( -2.865 10.247 -9.120) 14.014 9.545 ( 7.332 3.587 -16.453) 18.366 9.645 ( 3.486 5.680 -18.126) 19.312 10.005 ( 11.549 4.888 -8.758) 15.296 10.335 ( -5.177 -0.582 -16.744) 17.536 10.879 ( -0.552 0.244 11.533) 11.548 11.025 ( -5.345 -3.345 8.022) 10.204 11.134 ( 9.061 -0.225 4.085) 9.942 11.329 ( 1.008 -1.852 4.266) 4.759 11.931 ( 3.947 -15.248 -1.136) 15.791 12.371 ( -14.550 -15.344 -1.619) 21.208 12.615 ( 7.050 15.471 -6.105) 18.065 12.900 ( -6.670 10.709 -7.562) 14.710 18.483 ( 0.229 -0.261 -9.525) 9.532 18.491 ( -0.073 -0.357 -9.605) 9.612 18.789 ( 6.492 1.442 24.938) 25.810 19.151 ( -13.038 -1.362 28.760) 31.607 20.308 ( 6.630 -5.650 -0.663) 8.736 20.629 ( -9.344 -7.567 -0.196) 12.026 21.006 ( 0.456 2.635 -9.186) 9.567 21.024 ( -0.730 3.377 -10.583) 11.133 ======================= Grid point 175 (39/75) ======================= q-point: (-0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -1.278 1.634 5.973) 6.323 1.987 ( 1.278 1.634 5.973) 6.323 2.294 ( -5.064 3.614 7.957) 10.101 2.294 ( 5.064 3.614 7.957) 10.101 2.866 ( -5.794 -0.748 -6.399) 8.665 2.866 ( 5.794 -0.748 -6.399) 8.665 3.054 ( -1.573 -0.333 -3.508) 3.859 3.054 ( 1.573 -0.333 -3.508) 3.859 3.260 ( -5.002 4.480 3.460) 7.554 3.260 ( 5.002 4.480 3.460) 7.554 3.577 ( -3.159 0.113 1.328) 3.429 3.577 ( 3.159 0.113 1.328) 3.429 3.771 ( -5.980 -1.791 5.881) 8.576 3.771 ( 5.980 -1.791 5.881) 8.576 4.037 ( -10.134 7.964 7.935) 15.136 4.037 ( 10.134 7.964 7.935) 15.136 4.419 ( -3.980 -0.285 -2.150) 4.533 4.419 ( 3.980 -0.285 -2.150) 4.533 4.721 ( -2.320 -0.186 9.379) 9.664 4.721 ( 2.320 -0.186 9.379) 9.664 5.319 ( -12.207 -4.701 9.997) 16.464 5.319 ( 12.207 -4.701 9.997) 16.464 5.692 ( -5.573 -9.432 9.368) 14.414 5.692 ( 5.573 -9.432 9.368) 14.414 5.923 ( -7.060 -0.742 7.795) 10.543 5.923 ( 7.060 -0.742 7.795) 10.543 6.293 ( -7.181 -4.628 2.816) 8.995 6.293 ( 7.181 -4.628 2.816) 8.995 6.786 ( -16.214 -12.228 5.792) 21.118 6.786 ( 16.214 -12.228 5.792) 21.118 7.430 ( -11.674 5.629 -0.227) 12.962 7.430 ( 11.674 5.629 -0.227) 12.962 8.614 ( -8.567 12.975 -13.192) 20.391 8.614 ( 8.567 12.975 -13.192) 20.391 9.653 ( -2.946 3.862 -18.753) 19.372 9.653 ( 2.946 3.862 -18.753) 19.372 10.205 ( -8.680 1.755 -13.427) 16.085 10.205 ( 8.680 1.755 -13.427) 16.085 10.894 ( -4.455 -2.388 13.208) 14.142 10.894 ( 4.455 -2.388 13.208) 14.142 11.302 ( -5.811 -0.390 3.688) 6.894 11.302 ( 5.811 -0.390 3.688) 6.894 12.099 ( -12.611 -17.186 -2.865) 21.509 12.099 ( 12.611 -17.186 -2.865) 21.509 12.759 ( -7.679 14.695 -7.972) 18.397 12.759 ( 7.679 14.695 -7.972) 18.397 18.488 ( -0.267 -0.365 -9.655) 9.666 18.488 ( 0.267 -0.365 -9.655) 9.666 18.939 ( -9.206 0.509 27.111) 28.636 18.939 ( 9.206 0.509 27.111) 28.636 20.455 ( -8.463 -6.716 -0.524) 10.817 20.455 ( 8.463 -6.716 -0.524) 10.817 21.013 ( -0.390 3.086 -10.182) 10.646 21.013 ( 0.390 3.086 -10.182) 10.646 ======================= Grid point 182 (40/75) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 11.919 11.919 14.658) 22.338 1.813 ( 8.022 8.022 13.729) 17.810 2.326 ( -0.744 -0.744 -1.402) 1.752 2.442 ( 4.419 4.419 2.957) 6.914 2.682 ( 5.187 5.187 -2.269) 7.678 2.947 ( -0.439 -0.439 -3.721) 3.772 2.990 ( 3.506 3.506 -2.548) 5.575 3.142 ( 0.353 0.353 11.133) 11.144 3.157 ( 4.903 4.903 -4.633) 8.339 3.287 ( 4.903 4.903 2.301) 7.306 3.410 ( 0.093 0.093 -6.136) 6.137 3.558 ( 7.483 7.483 0.109) 10.583 3.631 ( 4.537 4.537 15.722) 16.981 3.951 ( -5.897 -5.897 3.970) 9.236 3.966 ( 3.452 3.452 8.270) 9.603 4.103 ( -4.353 -4.353 4.078) 7.384 4.414 ( -2.696 -2.696 0.335) 3.828 4.605 ( 2.598 2.598 6.117) 7.136 4.734 ( -3.837 -3.837 2.146) 5.835 4.800 ( 0.344 0.344 2.248) 2.300 5.177 ( -1.859 -1.859 5.821) 6.387 5.184 ( -1.260 -1.260 2.469) 3.045 5.758 ( -5.912 -5.912 3.610) 9.107 5.763 ( 5.216 5.216 10.612) 12.924 5.818 ( -6.409 -6.409 16.839) 19.123 5.857 ( -4.298 -4.298 11.344) 12.870 6.169 ( -3.555 -3.555 7.337) 8.895 6.446 ( -10.177 -10.177 1.203) 14.443 6.478 ( -4.931 -4.931 2.840) 7.530 7.049 ( -16.887 -16.887 16.928) 29.273 7.355 ( 4.661 4.661 -8.732) 10.940 7.873 ( -5.199 -5.199 1.710) 7.549 8.299 ( 20.775 20.775 -25.504) 38.906 8.850 ( 4.309 4.309 -9.954) 11.671 9.501 ( 6.043 6.043 -14.061) 16.454 9.695 ( 7.176 7.176 -16.499) 19.370 9.947 ( 9.545 9.545 -8.939) 16.190 10.382 ( -2.802 -2.802 -18.295) 18.719 10.921 ( 6.655 6.655 6.758) 11.587 10.952 ( 2.654 2.654 -2.014) 4.259 11.035 ( -1.534 -1.534 12.224) 12.415 11.302 ( -6.203 -6.203 5.965) 10.608 11.755 ( -7.489 -7.489 5.579) 11.971 12.368 ( -15.313 -15.313 -0.066) 21.655 12.712 ( 10.584 10.584 -9.318) 17.632 13.074 ( 1.697 1.697 -8.888) 9.207 18.477 ( -0.158 -0.158 -9.941) 9.943 18.487 ( -0.139 -0.139 -9.057) 9.060 18.740 ( 3.732 3.732 24.187) 24.756 19.294 ( -9.420 -9.420 30.100) 32.916 20.159 ( -0.062 -0.062 -0.861) 0.866 20.640 ( -9.039 -9.039 -0.841) 12.810 21.031 ( 1.686 1.686 -8.542) 8.868 21.075 ( 0.666 0.666 -9.692) 9.738 ======================= Grid point 183 (41/75) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 12.962 6.169 8.673) 16.771 1.955 ( 6.281 4.366 8.402) 11.363 2.310 ( 0.494 2.338 3.506) 4.243 2.496 ( -0.583 7.761 5.572) 9.572 2.776 ( 4.650 2.101 -5.537) 7.529 2.932 ( -1.022 -0.848 -4.877) 5.055 3.041 ( -0.210 0.784 1.459) 1.670 3.072 ( -2.648 0.420 2.067) 3.385 3.263 ( 4.842 4.458 -1.378) 6.724 3.364 ( 2.327 0.390 -2.591) 3.505 3.431 ( 3.082 -2.336 -5.061) 6.369 3.698 ( -2.010 5.845 10.898) 12.529 3.713 ( 6.070 7.895 7.070) 12.213 3.821 ( -4.700 -4.281 6.312) 8.959 4.070 ( 2.843 0.341 7.325) 7.865 4.086 ( 6.092 5.646 9.124) 12.339 4.377 ( 0.449 0.137 -3.366) 3.399 4.577 ( -4.941 -1.891 8.892) 10.347 4.684 ( -0.651 -1.381 5.799) 5.996 4.833 ( 1.519 1.268 3.705) 4.200 5.043 ( -3.866 -1.879 4.197) 6.008 5.288 ( 1.372 -11.541 6.248) 13.195 5.512 ( -8.971 -4.851 15.464) 18.524 5.676 ( -7.184 -3.064 17.058) 18.760 5.840 ( 0.519 -4.712 7.354) 8.750 5.904 ( 0.857 -10.624 3.741) 11.296 6.119 ( 0.248 -0.957 9.644) 9.695 6.319 ( -2.147 -5.692 9.457) 11.244 6.395 ( -1.606 -7.392 4.032) 8.572 6.761 ( -13.294 -16.634 19.152) 28.639 7.452 ( 5.831 9.487 -11.627) 16.100 7.741 ( -7.963 3.850 -5.369) 10.347 8.661 ( 15.229 14.824 -20.254) 29.358 8.904 ( 0.927 8.150 -12.097) 14.616 9.627 ( 6.756 4.690 -14.967) 17.078 9.779 ( 1.215 6.932 -17.521) 18.882 10.122 ( 8.148 6.238 -12.098) 15.864 10.322 ( -3.280 -0.656 -17.986) 18.294 10.876 ( -4.232 -0.437 13.766) 14.408 10.942 ( -5.241 -4.651 9.894) 12.124 11.159 ( 8.318 3.285 2.678) 9.335 11.280 ( 4.050 -2.889 2.921) 5.769 11.662 ( -1.191 -12.358 3.692) 12.952 12.061 ( -16.140 -16.366 -0.191) 22.987 12.888 ( 7.708 12.283 -12.777) 19.328 13.072 ( -1.740 6.994 -11.937) 13.944 18.476 ( 0.055 -0.357 -9.835) 9.841 18.483 ( -0.207 -0.428 -9.522) 9.534 18.828 ( 5.428 2.606 26.014) 26.701 19.110 ( -9.135 -2.923 29.736) 31.245 20.202 ( 4.249 -4.407 -0.873) 6.184 20.467 ( -8.652 -8.620 -0.695) 12.233 21.055 ( 0.878 2.130 -9.143) 9.429 21.077 ( -0.279 1.887 -9.839) 10.022 ======================= Grid point 184 (42/75) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -0.540 2.390 3.690) 4.429 2.028 ( 0.540 2.390 3.690) 4.429 2.400 ( -7.814 7.417 8.704) 13.850 2.400 ( 7.814 7.417 8.704) 13.850 2.866 ( -4.832 0.623 -5.173) 7.106 2.866 ( 4.832 0.623 -5.173) 7.106 3.047 ( -1.875 -0.307 0.431) 1.949 3.047 ( 1.875 -0.307 0.431) 1.949 3.347 ( -3.323 3.859 -2.713) 5.770 3.347 ( 3.323 3.859 -2.713) 5.770 3.553 ( -8.571 -3.098 -0.206) 9.116 3.553 ( 8.571 -3.098 -0.206) 9.116 3.785 ( -1.935 3.554 10.707) 11.446 3.785 ( 1.935 3.554 10.707) 11.446 4.127 ( -2.511 0.028 8.566) 8.927 4.127 ( 2.511 0.028 8.566) 8.927 4.467 ( -6.419 4.608 0.553) 7.921 4.467 ( 6.419 4.608 0.553) 7.921 4.747 ( -7.126 4.625 6.236) 10.538 4.747 ( 7.126 4.625 6.236) 10.538 5.129 ( -10.501 -13.872 10.707) 20.429 5.129 ( 10.501 -13.872 10.707) 20.429 5.548 ( -6.347 -5.694 14.460) 16.787 5.548 ( 6.347 -5.694 14.460) 16.787 5.854 ( -2.769 -6.304 4.696) 8.334 5.854 ( 2.769 -6.304 4.696) 8.334 6.213 ( -7.149 -3.058 7.972) 11.136 6.213 ( 7.149 -3.058 7.972) 11.136 6.523 ( -11.210 -12.565 15.330) 22.772 6.523 ( 11.210 -12.565 15.330) 22.772 7.585 ( -7.794 8.822 -10.203) 15.578 7.585 ( 7.794 8.822 -10.203) 15.578 8.863 ( -5.813 11.585 -15.138) 19.929 8.863 ( 5.813 11.585 -15.138) 19.929 9.743 ( -4.586 4.943 -16.999) 18.288 9.743 ( 4.586 4.943 -16.999) 18.288 10.248 ( -4.873 2.190 -15.814) 16.692 10.248 ( 4.873 2.190 -15.814) 16.692 10.850 ( -2.237 -1.310 13.630) 13.874 10.850 ( 2.237 -1.310 13.630) 13.874 11.291 ( -4.438 -0.694 3.421) 5.646 11.291 ( 4.438 -0.694 3.421) 5.646 11.774 ( -12.307 -16.177 0.435) 20.331 11.774 ( 12.307 -16.177 0.435) 20.331 13.009 ( -4.801 10.880 -13.445) 17.950 13.009 ( 4.801 10.880 -13.445) 17.950 18.479 ( -0.219 -0.487 -9.747) 9.762 18.479 ( 0.219 -0.487 -9.747) 9.762 18.951 ( -7.300 0.659 27.984) 28.928 18.951 ( 7.300 0.659 27.984) 28.928 20.313 ( -7.062 -7.164 -0.743) 10.087 20.313 ( 7.062 -7.164 -0.743) 10.087 21.068 ( -0.546 2.271 -9.602) 9.882 21.068 ( 0.546 2.271 -9.602) 9.882 ======================= Grid point 192 (43/75) ======================= q-point: ( 0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 5.360 5.360 2.735) 8.059 2.031 ( 3.262 3.262 4.188) 6.231 2.395 ( 7.299 7.299 8.424) 13.324 2.634 ( 4.135 4.135 6.201) 8.523 2.818 ( 2.641 2.641 -3.940) 5.429 2.912 ( -1.016 -1.016 -4.283) 4.517 3.036 ( -3.040 -3.040 8.490) 9.516 3.059 ( -0.148 -0.148 1.931) 1.942 3.343 ( 3.781 3.781 -4.449) 6.956 3.373 ( 1.906 1.906 -6.880) 7.389 3.422 ( 0.319 0.319 -9.266) 9.277 3.640 ( -8.893 -8.893 1.377) 12.652 3.826 ( 4.490 4.490 14.232) 15.585 3.870 ( 4.482 4.482 15.047) 16.328 4.011 ( -0.507 -0.507 4.376) 4.434 4.163 ( -2.327 -2.327 9.141) 9.715 4.521 ( -2.718 -2.718 11.925) 12.529 4.535 ( 13.732 13.732 -3.096) 19.665 4.621 ( -3.894 -3.894 13.755) 14.816 4.817 ( 2.137 2.137 6.406) 7.083 5.032 ( -7.957 -7.957 14.488) 18.344 5.181 ( 1.617 1.617 -1.303) 2.632 5.334 ( -8.444 -8.444 9.694) 15.381 5.616 ( -7.250 -7.250 11.114) 15.121 5.668 ( -3.915 -3.915 11.989) 13.206 5.808 ( -5.218 -5.218 1.821) 7.601 6.122 ( 1.867 1.867 14.866) 15.098 6.258 ( 0.039 0.039 17.219) 17.219 6.283 ( -4.232 -4.232 8.626) 10.499 6.503 ( -10.375 -10.375 21.760) 26.245 7.613 ( 7.225 7.225 -15.533) 18.592 7.780 ( -0.331 -0.331 -14.783) 14.791 8.911 ( 10.429 10.429 -17.935) 23.221 9.023 ( 3.967 3.967 -14.601) 15.642 9.724 ( 5.378 5.378 -13.319) 15.337 9.866 ( 1.284 1.284 -15.268) 15.375 10.211 ( 2.902 2.902 -14.655) 15.219 10.307 ( -1.325 -1.325 -18.516) 18.610 10.876 ( -0.994 -0.994 9.918) 10.017 10.879 ( 0.165 0.165 14.501) 14.503 11.228 ( 0.047 0.047 1.014) 1.016 11.267 ( 5.465 5.465 3.636) 8.541 11.460 ( -8.018 -8.018 4.431) 12.174 11.753 ( -15.203 -15.203 0.918) 21.519 13.078 ( 7.320 7.320 -16.291) 19.302 13.166 ( 2.599 2.599 -15.336) 15.770 18.471 ( -0.151 -0.151 -9.880) 9.882 18.476 ( -0.345 -0.345 -9.692) 9.704 18.888 ( 3.503 3.503 27.456) 27.900 19.042 ( -4.020 -4.020 29.859) 30.395 20.158 ( 0.004 0.004 -1.010) 1.010 20.312 ( -7.162 -7.162 -0.726) 10.154 21.085 ( 1.058 1.058 -9.164) 9.285 21.098 ( 0.451 0.451 -9.496) 9.517 ======================= Grid point 193 (44/75) ======================= q-point: (-0.50 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -0.370 1.677 0.744) 1.871 2.070 ( 0.370 1.677 0.744) 1.871 2.575 ( -9.028 10.155 9.271) 16.449 2.575 ( 9.028 10.155 9.271) 16.449 2.880 ( -2.784 0.616 -3.878) 4.814 2.880 ( 2.784 0.616 -3.878) 4.814 3.026 ( -2.494 -2.676 5.592) 6.682 3.026 ( 2.494 -2.676 5.592) 6.682 3.400 ( -0.653 1.743 -8.130) 8.341 3.400 ( 0.653 1.743 -8.130) 8.341 3.473 ( -7.063 -4.178 -2.626) 8.616 3.473 ( 7.063 -4.178 -2.626) 8.616 3.883 ( -1.697 5.599 14.130) 15.293 3.883 ( 1.697 5.599 14.130) 15.293 4.079 ( -5.389 -3.682 6.621) 9.297 4.079 ( 5.389 -3.682 6.621) 9.297 4.512 ( -2.492 0.421 14.008) 14.235 4.512 ( 2.492 0.421 14.008) 14.235 4.839 ( -10.652 -8.060 10.859) 17.215 4.839 ( 10.652 -8.060 10.859) 17.215 4.975 ( -13.099 11.117 1.664) 17.261 4.975 ( 13.099 11.117 1.664) 17.261 5.431 ( -9.672 -7.031 10.013) 15.597 5.431 ( 9.672 -7.031 10.013) 15.597 5.697 ( -4.807 -9.001 4.302) 11.074 5.697 ( 4.807 -9.001 4.302) 11.074 6.186 ( -4.374 0.258 14.343) 14.998 6.186 ( 4.374 0.258 14.343) 14.998 6.343 ( -6.512 -6.214 21.088) 22.929 6.343 ( 6.512 -6.214 21.088) 22.929 7.729 ( -4.641 5.511 -17.961) 19.352 7.729 ( 4.641 5.511 -17.961) 19.352 9.040 ( -2.700 6.506 -16.282) 17.741 9.040 ( 2.700 6.506 -16.282) 17.741 9.827 ( -4.624 3.448 -13.045) 14.263 9.827 ( 4.624 3.448 -13.045) 14.263 10.262 ( -2.859 -0.916 -16.453) 16.725 10.262 ( 2.859 -0.916 -16.453) 16.725 10.879 ( -0.808 4.469 11.293) 12.172 10.879 ( 0.808 4.469 11.293) 12.172 11.271 ( -4.653 -1.738 2.744) 5.674 11.271 ( 4.653 -1.738 2.744) 5.674 11.493 ( -10.894 -11.920 2.342) 16.317 11.493 ( 10.894 -11.920 2.342) 16.317 13.170 ( -2.225 5.683 -16.987) 18.050 13.170 ( 2.225 5.683 -16.987) 18.050 18.471 ( -0.143 -0.322 -9.827) 9.833 18.471 ( 0.143 -0.322 -9.827) 9.833 18.962 ( -4.103 0.420 28.897) 29.190 18.962 ( 4.103 0.420 28.897) 29.190 20.200 ( -4.181 -4.222 -0.857) 6.003 20.200 ( 4.181 -4.222 -0.857) 6.003 21.098 ( -0.335 0.922 -9.272) 9.324 21.098 ( 0.335 0.922 -9.272) 9.324 ======================= Grid point 206 (45/75) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -0.000 -0.000 -0.584) 0.584 2.087 ( -0.000 -0.000 -0.584) 0.584 2.714 ( -0.000 -0.000 8.260) 8.260 2.714 ( 0.000 0.000 8.260) 8.260 2.890 ( 0.000 0.000 -3.647) 3.647 2.890 ( 0.000 0.000 -3.647) 3.647 2.963 ( 0.000 0.000 9.861) 9.861 2.963 ( 0.000 0.000 9.861) 9.861 3.421 ( 0.000 0.000 -10.380) 10.380 3.421 ( 0.000 0.000 -10.380) 10.380 3.425 ( -0.000 -0.000 -3.704) 3.704 3.425 ( 0.000 0.000 -3.704) 3.704 3.961 ( -0.000 -0.000 20.037) 20.037 3.961 ( 0.000 0.000 20.037) 20.037 4.021 ( 0.000 0.000 -0.253) 0.253 4.021 ( 0.000 0.000 -0.253) 0.253 4.518 ( 0.000 0.000 26.462) 26.462 4.518 ( 0.000 0.000 26.462) 26.462 4.729 ( -0.000 -0.000 6.188) 6.188 4.729 ( 0.000 0.000 6.188) 6.188 5.216 ( -0.000 -0.000 8.428) 8.428 5.216 ( 0.000 0.000 8.428) 8.428 5.273 ( -0.000 -0.000 -6.752) 6.752 5.273 ( 0.000 0.000 -6.752) 6.752 5.587 ( 0.000 0.000 9.796) 9.796 5.587 ( 0.000 0.000 9.796) 9.796 6.200 ( 0.000 0.000 12.961) 12.961 6.200 ( 0.000 0.000 12.961) 12.961 6.277 ( 0.000 0.000 26.696) 26.696 6.277 ( 0.000 0.000 26.696) 26.696 7.784 ( 0.000 0.000 -21.157) 21.157 7.784 ( 0.000 0.000 -21.157) 21.157 9.105 ( 0.000 0.000 -16.784) 16.784 9.105 ( 0.000 0.000 -16.784) 16.784 9.863 ( 0.000 0.000 -10.653) 10.653 9.863 ( 0.000 0.000 -10.653) 10.653 10.243 ( -0.000 -0.000 -15.571) 15.571 10.243 ( 0.000 0.000 -15.571) 15.571 10.957 ( 0.000 0.000 9.012) 9.012 10.957 ( 0.000 0.000 9.012) 9.012 11.227 ( -0.000 -0.000 1.528) 1.528 11.227 ( 0.000 0.000 1.528) 1.528 11.374 ( -0.000 -0.000 3.722) 3.722 11.374 ( 0.000 0.000 3.722) 3.722 13.225 ( 0.000 0.000 -18.227) 18.227 13.225 ( 0.000 0.000 -18.227) 18.227 18.468 ( 0.000 0.000 -9.857) 9.857 18.468 ( 0.000 0.000 -9.857) 9.857 18.966 ( 0.000 0.000 29.287) 29.287 18.966 ( 0.000 0.000 29.287) 29.287 20.159 ( 0.000 0.000 -0.925) 0.925 20.159 ( 0.000 0.000 -0.925) 0.925 21.107 ( 0.000 0.000 -9.154) 9.154 21.107 ( 0.000 0.000 -9.154) 9.154 ======================= Grid point 243 (46/75) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.000 0.000 23.837) 23.837 1.550 ( -0.000 0.000 23.837) 23.837 2.181 ( 0.000 0.000 0.003) 0.003 2.390 ( 0.000 0.000 -6.855) 6.855 2.521 ( 0.000 0.000 -9.700) 9.700 2.521 ( 0.000 0.000 -9.700) 9.700 2.867 ( 0.000 0.000 28.661) 28.661 2.878 ( 0.000 0.000 -5.365) 5.365 2.878 ( -0.000 -0.000 -5.365) 5.365 3.442 ( -0.000 -0.000 2.207) 2.207 3.519 ( -0.000 -0.000 1.744) 1.744 3.519 ( -0.000 0.000 1.744) 1.744 3.846 ( -0.000 -0.000 -7.677) 7.677 3.849 ( -0.000 -0.000 9.647) 9.647 4.252 ( 0.000 0.000 5.392) 5.392 4.252 ( 0.000 0.000 5.392) 5.392 4.536 ( 0.000 -0.000 2.839) 2.839 4.536 ( -0.000 0.000 2.839) 2.839 4.568 ( 0.000 0.000 0.721) 0.721 5.099 ( 0.000 0.000 5.116) 5.116 5.209 ( 0.000 0.000 -0.023) 0.023 5.209 ( 0.000 0.000 -0.023) 0.023 5.506 ( 0.000 0.000 4.279) 4.279 5.679 ( -0.000 -0.000 -13.908) 13.908 5.679 ( 0.000 0.000 -13.908) 13.908 6.292 ( 0.000 0.000 -10.483) 10.483 6.575 ( -0.000 -0.000 21.657) 21.657 6.575 ( 0.000 0.000 21.657) 21.657 6.630 ( -0.000 -0.000 -2.276) 2.276 6.725 ( 0.000 0.000 5.021) 5.021 7.809 ( 0.000 0.000 5.904) 5.904 8.450 ( -0.000 -0.000 -2.123) 2.123 8.450 ( 0.000 -0.000 -2.123) 2.123 8.671 ( 0.000 0.000 -3.487) 3.487 8.935 ( 0.000 0.000 -9.667) 9.667 8.935 ( 0.000 -0.000 -9.667) 9.667 9.123 ( 0.000 0.000 -8.720) 8.720 10.276 ( -0.000 -0.000 -14.125) 14.125 10.284 ( -0.000 0.000 1.764) 1.764 10.284 ( 0.000 0.000 1.764) 1.764 11.530 ( -0.000 -0.000 11.300) 11.300 11.606 ( 0.000 0.000 -0.326) 0.326 12.393 ( -0.000 -0.000 1.774) 1.774 12.432 ( 0.000 0.000 9.381) 9.381 13.048 ( 0.000 0.000 0.942) 0.942 13.048 ( 0.000 0.000 0.942) 0.942 18.304 ( 0.000 0.000 -8.056) 8.056 18.304 ( 0.000 0.000 -8.056) 8.056 19.057 ( -0.000 -0.000 27.818) 27.818 20.159 ( 0.000 0.000 -0.579) 0.579 20.159 ( -0.000 -0.000 -0.579) 0.579 20.661 ( 0.000 0.000 -20.457) 20.457 20.841 ( 0.000 0.000 -2.405) 2.405 21.278 ( 0.000 0.000 1.589) 1.589 ======================= Grid point 244 (47/75) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 8.049 0.000 22.142) 23.560 1.664 ( 10.792 0.000 21.434) 23.998 2.220 ( 3.857 0.000 0.462) 3.885 2.362 ( -2.011 0.000 -5.193) 5.569 2.549 ( 1.598 0.000 -5.373) 5.605 2.583 ( 5.248 0.000 -10.442) 11.687 2.879 ( 3.862 0.000 -1.359) 4.094 2.888 ( 0.960 0.000 -4.974) 5.066 2.929 ( 3.914 0.000 15.794) 16.272 3.399 ( -2.420 0.000 1.831) 3.034 3.510 ( -1.227 0.000 2.556) 2.835 3.523 ( 0.725 0.000 -0.792) 1.074 3.731 ( -7.527 0.000 15.401) 17.141 4.026 ( 14.451 0.000 -1.498) 14.529 4.158 ( -8.590 0.000 0.022) 8.590 4.259 ( 1.373 0.000 3.796) 4.037 4.433 ( -1.142 0.000 -2.362) 2.623 4.455 ( -7.287 0.000 2.584) 7.732 4.804 ( 9.413 0.000 8.295) 12.547 5.055 ( -4.681 0.000 4.535) 6.517 5.220 ( 0.275 0.000 0.261) 0.379 5.318 ( 9.919 0.000 -1.107) 9.980 5.423 ( -3.947 0.000 -2.177) 4.507 5.826 ( 11.241 0.000 -6.435) 12.953 5.880 ( 18.669 0.000 -12.069) 22.230 6.309 ( -0.418 0.000 -5.559) 5.575 6.509 ( -5.753 0.000 19.046) 19.896 6.548 ( -2.423 0.000 18.945) 19.099 6.692 ( 8.331 0.000 -7.738) 11.371 6.720 ( -1.151 0.000 6.860) 6.956 7.658 ( -13.610 0.000 5.427) 14.652 8.257 ( -16.080 0.000 2.338) 16.249 8.412 ( -4.991 0.000 4.037) 6.419 8.584 ( -5.775 0.000 -5.965) 8.303 8.934 ( 2.234 0.000 -16.772) 16.920 9.015 ( 6.006 0.000 -12.738) 14.083 9.319 ( 14.190 0.000 -5.524) 15.227 10.234 ( -3.226 0.000 -12.552) 12.960 10.397 ( 10.296 0.000 -0.467) 10.307 10.462 ( 16.959 0.000 0.507) 16.966 11.494 ( -3.665 0.000 11.427) 12.000 11.614 ( 0.370 0.000 1.128) 1.188 12.271 ( -11.566 0.000 0.819) 11.595 12.448 ( 1.531 0.000 9.387) 9.511 12.975 ( -7.529 0.000 -0.249) 7.533 13.004 ( -4.527 0.000 0.714) 4.583 18.304 ( 0.003 0.000 -8.079) 8.079 18.309 ( 0.462 0.000 -7.968) 7.982 19.083 ( 2.705 0.000 27.779) 27.910 20.074 ( -8.309 0.000 4.473) 9.437 20.178 ( 2.041 0.000 -0.758) 2.177 20.664 ( 0.388 0.000 -20.026) 20.030 20.826 ( -1.517 0.000 -4.792) 5.026 21.193 ( -8.145 0.000 2.695) 8.580 ======================= Grid point 245 (48/75) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 11.785 0.000 17.856) 21.395 1.908 ( 12.812 0.000 17.896) 22.009 2.317 ( 5.787 0.000 1.791) 6.058 2.331 ( -0.937 0.000 -1.328) 1.625 2.569 ( 1.407 0.000 -2.555) 2.917 2.690 ( 5.229 0.000 -10.767) 11.970 2.902 ( -0.885 0.000 -6.943) 6.999 2.909 ( 0.898 0.000 -4.988) 5.068 3.157 ( 18.071 0.000 8.580) 20.005 3.385 ( 0.853 0.000 2.522) 2.663 3.450 ( -4.762 0.000 7.792) 9.132 3.554 ( 2.722 0.000 -1.500) 3.108 3.653 ( -0.967 0.000 9.858) 9.905 4.017 ( -4.921 0.000 3.581) 6.086 4.075 ( -10.267 0.000 3.277) 10.777 4.339 ( -2.261 0.000 5.086) 5.566 4.402 ( -2.412 0.000 -4.566) 5.164 4.491 ( 20.008 0.000 1.348) 20.053 4.907 ( 2.455 0.000 11.681) 11.936 4.912 ( -9.953 0.000 2.058) 10.164 5.173 ( -4.165 0.000 3.256) 5.287 5.447 ( 6.018 0.000 -5.725) 8.306 5.537 ( 11.964 0.000 -4.770) 12.880 6.057 ( 11.872 0.000 1.356) 11.949 6.183 ( -0.062 0.000 0.376) 0.381 6.226 ( -0.651 0.000 4.082) 4.134 6.398 ( -4.353 0.000 12.242) 12.993 6.514 ( 0.492 0.000 15.172) 15.180 6.668 ( -4.110 0.000 8.018) 9.010 6.915 ( 7.695 0.000 -14.330) 16.265 7.444 ( -2.513 0.000 -3.237) 4.098 7.954 ( -12.229 0.000 6.241) 13.729 8.229 ( -13.122 0.000 12.979) 18.456 8.513 ( -2.439 0.000 -8.844) 9.174 9.013 ( 5.408 0.000 -19.994) 20.713 9.124 ( 4.981 0.000 -17.863) 18.545 9.582 ( 12.593 0.000 -5.445) 13.720 10.150 ( -5.291 0.000 -13.708) 14.693 10.664 ( 16.503 0.000 -0.163) 16.504 10.860 ( 22.138 0.000 -0.566) 22.145 11.400 ( -5.597 0.000 11.699) 12.969 11.584 ( -4.941 0.000 5.639) 7.497 12.022 ( -11.439 0.000 -4.101) 12.152 12.488 ( 2.487 0.000 9.101) 9.435 12.765 ( -13.935 0.000 -3.491) 14.365 12.882 ( -7.655 0.000 0.789) 7.696 18.305 ( 0.127 0.000 -8.110) 8.111 18.318 ( 0.370 0.000 -7.823) 7.832 19.159 ( 5.118 0.000 27.584) 28.055 19.870 ( -11.942 0.000 14.105) 18.481 20.240 ( 4.459 0.000 -1.146) 4.603 20.676 ( 0.878 0.000 -18.788) 18.809 20.783 ( -3.078 0.000 -8.925) 9.441 21.000 ( -10.867 0.000 2.935) 11.256 ======================= Grid point 246 (49/75) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 9.005 0.000 12.491) 15.399 2.099 ( 6.044 0.000 15.016) 16.186 2.335 ( 1.720 0.000 3.906) 4.268 2.411 ( 2.567 0.000 4.225) 4.944 2.640 ( 6.297 0.000 -5.166) 8.145 2.767 ( 2.428 0.000 -8.337) 8.683 2.887 ( -0.089 0.000 -8.969) 8.970 2.912 ( -0.620 0.000 -7.633) 7.658 3.333 ( -2.864 0.000 7.321) 7.861 3.405 ( 0.016 0.000 4.681) 4.681 3.549 ( 12.235 0.000 3.259) 12.662 3.611 ( 1.277 0.000 1.327) 1.841 3.675 ( 7.789 0.000 5.023) 9.268 3.851 ( -8.137 0.000 -2.094) 8.402 3.969 ( -0.602 0.000 7.574) 7.598 4.304 ( -3.103 0.000 7.008) 7.665 4.360 ( -1.118 0.000 -3.810) 3.971 4.597 ( -14.016 0.000 2.068) 14.168 4.905 ( 8.776 0.000 7.074) 11.272 4.931 ( 0.493 0.000 12.476) 12.485 5.173 ( 9.869 0.000 4.252) 10.746 5.604 ( 9.227 0.000 -6.340) 11.195 5.736 ( 6.754 0.000 -6.513) 9.383 5.931 ( -17.260 0.000 10.024) 19.960 6.207 ( 2.143 0.000 20.641) 20.752 6.228 ( -2.798 0.000 6.719) 7.278 6.416 ( 5.710 0.000 -8.413) 10.168 6.518 ( -3.439 0.000 13.353) 13.788 6.593 ( -0.854 0.000 6.980) 7.032 6.918 ( -3.275 0.000 -8.520) 9.128 7.474 ( 1.078 0.000 2.068) 2.332 7.939 ( -16.404 0.000 15.646) 22.669 7.974 ( 14.214 0.000 -4.160) 14.810 8.443 ( -5.746 0.000 -7.625) 9.547 9.126 ( 5.716 0.000 -21.633) 22.376 9.200 ( 2.641 0.000 -21.957) 22.115 9.793 ( 9.051 0.000 -8.314) 12.290 10.041 ( -5.709 0.000 -14.027) 15.144 10.989 ( 15.531 0.000 2.705) 15.765 11.212 ( 9.419 0.000 7.127) 11.812 11.308 ( -2.546 0.000 10.454) 10.760 11.436 ( -6.198 0.000 5.260) 8.129 11.912 ( 1.009 0.000 -11.615) 11.658 12.448 ( -17.686 0.000 -8.263) 19.521 12.545 ( 2.713 0.000 8.086) 8.529 12.732 ( -7.299 0.000 2.476) 7.708 18.309 ( 0.320 0.000 -8.068) 8.074 18.321 ( -0.074 0.000 -7.806) 7.806 19.279 ( 7.265 0.000 26.943) 27.905 19.640 ( -11.376 0.000 21.381) 24.219 20.352 ( 7.171 0.000 -1.448) 7.316 20.689 ( -7.541 0.000 -6.630) 10.041 20.699 ( 1.559 0.000 -16.763) 16.835 20.818 ( -6.597 0.000 -4.339) 7.896 ======================= Grid point 247 (50/75) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -1.175 0.000 10.960) 11.023 2.143 ( 1.175 0.000 10.960) 11.023 2.395 ( -3.399 0.000 6.441) 7.283 2.395 ( 3.399 0.000 6.441) 7.283 2.758 ( -3.954 0.000 -5.869) 7.076 2.758 ( 3.954 0.000 -5.869) 7.076 2.897 ( -0.715 0.000 -9.977) 10.003 2.897 ( 0.715 0.000 -9.977) 10.003 3.347 ( -4.499 0.000 7.328) 8.599 3.347 ( 4.499 0.000 7.328) 8.599 3.591 ( -0.295 0.000 -0.455) 0.542 3.591 ( 0.295 0.000 -0.455) 0.542 3.837 ( -1.453 0.000 1.218) 1.896 3.837 ( 1.453 0.000 1.218) 1.896 4.114 ( -16.558 0.000 8.350) 18.544 4.114 ( 16.558 0.000 8.350) 18.544 4.386 ( -4.656 0.000 -2.064) 5.093 4.386 ( 4.656 0.000 -2.064) 5.093 4.941 ( -0.644 0.000 11.703) 11.721 4.941 ( 0.644 0.000 11.703) 11.721 5.533 ( -21.435 0.000 9.079) 23.278 5.533 ( 21.435 0.000 9.079) 23.278 5.762 ( -5.637 0.000 -7.769) 9.599 5.762 ( 5.637 0.000 -7.769) 9.599 6.211 ( -0.730 0.000 14.378) 14.396 6.211 ( 0.730 0.000 14.378) 14.396 6.447 ( -1.277 0.000 9.100) 9.189 6.447 ( 1.277 0.000 9.100) 9.189 6.753 ( -12.591 0.000 -9.392) 15.708 6.753 ( 12.591 0.000 -9.392) 15.708 7.629 ( -14.296 0.000 14.970) 20.699 7.629 ( 14.296 0.000 14.970) 20.699 8.266 ( -12.912 0.000 -8.157) 15.273 8.266 ( 12.912 0.000 -8.157) 15.273 9.208 ( -2.161 0.000 -22.848) 22.950 9.208 ( 2.161 0.000 -22.848) 22.950 9.933 ( -5.818 0.000 -12.377) 13.677 9.933 ( 5.818 0.000 -12.377) 13.677 11.183 ( -5.368 0.000 12.914) 13.986 11.183 ( 5.368 0.000 12.914) 13.986 11.364 ( -6.317 0.000 2.771) 6.898 11.364 ( 6.317 0.000 2.771) 6.898 12.098 ( -16.613 0.000 -13.289) 21.275 12.098 ( 16.613 0.000 -13.289) 21.275 12.616 ( -4.653 0.000 5.662) 7.329 12.616 ( 4.653 0.000 5.662) 7.329 18.316 ( -0.362 0.000 -7.932) 7.940 18.316 ( 0.362 0.000 -7.932) 7.940 19.440 ( -9.377 0.000 25.236) 26.922 19.440 ( 9.377 0.000 25.236) 26.922 20.514 ( -9.348 0.000 -1.923) 9.543 20.514 ( 9.348 0.000 -1.923) 9.543 20.739 ( -2.658 0.000 -13.335) 13.598 20.739 ( 2.658 0.000 -13.335) 13.598 ======================= Grid point 253 (51/75) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 5.251 5.251 21.178) 22.442 1.792 ( 9.426 9.426 19.347) 23.494 2.253 ( 3.177 3.177 0.480) 4.519 2.361 ( -0.008 -0.008 -3.445) 3.445 2.548 ( 0.873 0.873 -4.531) 4.697 2.663 ( 5.929 5.929 -9.109) 12.380 2.875 ( 0.460 0.460 -6.618) 6.650 2.922 ( 2.226 2.226 -5.588) 6.413 2.988 ( 7.336 7.336 16.440) 19.439 3.383 ( -3.869 -3.869 -3.215) 6.346 3.389 ( -2.196 -2.196 2.806) 4.185 3.636 ( 1.152 1.152 6.691) 6.886 3.710 ( 0.075 0.075 12.787) 12.787 4.074 ( -5.154 -5.154 0.913) 7.346 4.114 ( 7.260 7.260 2.568) 10.583 4.245 ( 0.871 0.871 2.067) 2.406 4.452 ( 0.551 0.551 -2.028) 2.172 4.462 ( -2.055 -2.055 2.832) 4.058 4.819 ( 2.595 2.595 6.410) 7.386 5.015 ( -4.186 -4.186 4.053) 7.174 5.218 ( 0.328 0.328 -0.706) 0.845 5.283 ( -1.375 -1.375 -0.299) 1.968 5.569 ( 7.922 7.922 1.743) 11.339 5.681 ( 0.719 0.719 -10.328) 10.378 6.154 ( 12.543 12.543 -2.629) 17.932 6.340 ( 0.639 0.639 -0.438) 1.004 6.445 ( -5.362 -5.362 17.699) 19.255 6.547 ( -0.724 -0.724 12.728) 12.769 6.690 ( -1.275 -1.275 5.730) 6.007 6.809 ( 13.185 13.185 -10.932) 21.614 7.514 ( -12.982 -12.982 3.654) 18.719 8.085 ( -13.875 -13.875 6.149) 20.563 8.367 ( -6.205 -6.205 8.506) 12.221 8.565 ( -0.788 -0.788 -9.850) 9.913 8.961 ( 3.220 3.220 -18.609) 19.158 9.097 ( 6.275 6.275 -14.589) 17.076 9.437 ( 10.168 10.168 -5.346) 15.341 10.204 ( -3.033 -3.033 -13.286) 13.961 10.524 ( 10.191 10.191 -2.718) 14.666 10.554 ( 11.530 11.530 2.325) 16.471 11.458 ( -3.533 -3.533 11.566) 12.599 11.613 ( -0.615 -0.615 2.655) 2.793 12.152 ( -10.688 -10.688 1.262) 15.168 12.482 ( 2.712 2.712 7.372) 8.310 12.864 ( -9.344 -9.344 0.626) 13.229 13.002 ( -2.168 -2.168 -1.491) 3.409 18.304 ( -0.034 -0.034 -8.011) 8.011 18.312 ( 0.275 0.275 -7.965) 7.975 19.109 ( 2.635 2.635 27.759) 28.008 20.038 ( -5.662 -5.662 8.887) 11.962 20.150 ( -0.418 -0.418 -0.961) 1.128 20.660 ( -0.418 -0.418 -19.071) 19.081 20.821 ( -0.640 -0.640 -7.022) 7.080 21.125 ( -6.545 -6.545 2.784) 9.666 ======================= Grid point 254 (52/75) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 11.708 1.709 17.565) 21.179 1.979 ( 9.112 5.314 16.277) 19.396 2.309 ( 1.676 0.558 0.335) 1.797 2.391 ( 3.939 4.489 1.165) 6.085 2.571 ( 1.641 0.921 -3.763) 4.207 2.773 ( 4.843 6.650 -8.447) 11.791 2.879 ( 0.285 -1.051 -6.648) 6.737 2.958 ( 0.852 3.986 -5.451) 6.806 3.239 ( 16.844 7.956 7.775) 20.186 3.343 ( 0.937 -3.421 -1.973) 4.058 3.352 ( -2.129 -5.155 3.162) 6.412 3.563 ( -5.128 -3.261 4.605) 7.625 3.760 ( 3.166 8.831 8.075) 12.378 4.013 ( -1.829 3.886 7.041) 8.247 4.128 ( -5.869 1.159 6.522) 8.851 4.270 ( -2.131 -5.241 2.927) 6.370 4.416 ( -1.947 1.743 -1.031) 2.809 4.577 ( 15.960 6.236 1.531) 17.203 4.845 ( -4.433 -2.684 4.245) 6.699 4.918 ( -2.520 -1.944 7.190) 7.863 5.180 ( -4.210 0.623 2.462) 4.917 5.329 ( 6.875 -7.008 -4.068) 10.626 5.657 ( 5.752 7.383 -4.921) 10.574 5.878 ( 12.597 -8.024 -0.366) 14.940 6.242 ( -7.020 0.804 10.768) 12.879 6.270 ( -3.497 0.505 10.851) 11.412 6.354 ( -3.074 -3.429 10.628) 11.583 6.543 ( 0.118 -0.725 5.498) 5.547 6.637 ( -3.992 -2.590 7.796) 9.134 7.075 ( 0.707 13.159 -8.778) 15.834 7.356 ( 5.248 -6.119 -7.177) 10.793 7.851 ( -5.465 -6.884 5.165) 10.195 8.184 ( -11.978 -4.778 13.523) 18.686 8.560 ( -0.201 3.566 -10.927) 11.496 9.052 ( 5.748 3.705 -20.439) 21.553 9.203 ( 4.230 7.216 -18.501) 20.304 9.645 ( 10.533 5.855 -6.140) 13.525 10.126 ( -4.772 -2.358 -13.887) 14.872 10.741 ( 13.268 7.583 -1.099) 15.321 10.885 ( 19.504 2.924 0.504) 19.728 11.368 ( -5.354 -3.157 11.850) 13.381 11.555 ( -6.454 -3.352 6.810) 9.963 11.935 ( -9.564 -7.657 -2.483) 12.501 12.540 ( 3.240 4.582 5.294) 7.715 12.630 ( -14.535 -11.224 -0.610) 18.374 12.921 ( -5.782 1.539 -3.227) 6.798 18.304 ( 0.066 -0.133 -8.007) 8.008 18.317 ( 0.189 -0.084 -7.847) 7.850 19.183 ( 4.958 2.404 27.628) 28.172 19.861 ( -11.112 -1.267 16.518) 19.948 20.189 ( 3.880 -4.266 -0.788) 5.821 20.643 ( -1.684 -3.179 -15.493) 15.905 20.801 ( -1.365 1.335 -11.034) 11.198 20.972 ( -8.287 -2.615 0.593) 8.710 ======================= Grid point 255 (53/75) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 9.318 0.543 12.257) 15.406 2.116 ( 4.546 1.550 13.708) 14.525 2.347 ( 3.322 1.728 4.572) 5.910 2.464 ( 1.930 5.041 4.114) 6.786 2.630 ( 4.809 0.507 -5.868) 7.603 2.817 ( -0.464 1.765 -6.511) 6.762 2.906 ( 1.800 3.409 -9.345) 10.109 2.948 ( -1.508 3.499 -6.465) 7.504 3.305 ( -1.130 -2.799 4.972) 5.816 3.349 ( 0.943 -4.877 -0.299) 4.977 3.514 ( 0.559 -4.533 -1.114) 4.701 3.617 ( 15.488 5.228 6.272) 17.508 3.789 ( -1.819 8.355 7.255) 11.214 3.911 ( -4.132 4.553 0.710) 6.189 4.070 ( 1.530 9.088 9.344) 13.124 4.259 ( 0.701 -3.711 4.752) 6.070 4.369 ( -2.469 0.399 0.038) 2.501 4.609 ( -14.791 1.756 0.485) 14.902 4.901 ( 8.204 -0.221 7.884) 11.381 4.918 ( 0.616 -1.135 12.412) 12.479 5.177 ( 9.262 -0.209 5.148) 10.599 5.497 ( 9.095 -8.548 -5.054) 13.465 5.758 ( 2.078 1.197 -4.026) 4.687 5.948 ( -11.728 -0.514 10.059) 15.459 6.139 ( 2.008 -4.534 18.023) 18.693 6.219 ( 1.822 -2.018 2.105) 3.439 6.309 ( -2.518 -5.497 9.044) 10.879 6.511 ( -4.963 -3.085 4.670) 7.481 6.553 ( -0.078 -4.131 6.824) 7.977 6.976 ( -8.720 2.649 -12.312) 15.318 7.411 ( 3.183 -5.454 11.913) 13.483 7.899 ( -13.033 -2.449 14.837) 19.899 8.069 ( 16.918 9.165 -9.900) 21.639 8.530 ( -3.849 7.163 -9.694) 12.653 9.165 ( 5.502 3.728 -21.982) 22.965 9.255 ( 1.203 5.789 -22.189) 22.963 9.823 ( 7.646 2.854 -9.068) 12.199 10.031 ( -4.826 -0.954 -14.100) 14.934 11.008 ( 12.720 1.823 2.654) 13.121 11.198 ( 7.674 -1.114 7.962) 11.114 11.283 ( -1.889 -2.448 10.199) 10.657 11.406 ( -4.298 -3.050 4.632) 7.017 11.831 ( -0.484 -7.374 -7.519) 10.543 12.314 ( -17.610 -11.670 -3.919) 21.486 12.610 ( 3.786 5.831 3.096) 7.610 12.800 ( -6.319 4.799 -2.905) 8.450 18.307 ( 0.261 -0.252 -7.986) 7.995 18.318 ( -0.138 -0.311 -7.806) 7.813 19.299 ( 7.005 1.981 27.115) 28.075 19.645 ( -10.827 0.369 22.446) 24.923 20.290 ( 6.455 -5.575 -0.988) 8.587 20.574 ( -5.928 -7.084 -7.147) 11.679 20.778 ( -0.612 3.510 -13.906) 14.355 20.842 ( -4.650 1.797 -7.205) 8.762 ======================= Grid point 256 (54/75) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -1.366 0.277 10.396) 10.489 2.147 ( 1.366 0.277 10.396) 10.489 2.436 ( -4.450 4.203 6.751) 9.113 2.436 ( 4.450 4.203 6.751) 9.113 2.747 ( -6.304 -0.308 -5.896) 8.637 2.747 ( 6.304 -0.308 -5.896) 8.637 2.926 ( -0.960 2.615 -9.072) 9.490 2.926 ( 0.960 2.615 -9.072) 9.490 3.333 ( -2.667 -2.328 3.333) 4.862 3.333 ( 2.667 -2.328 3.333) 4.862 3.584 ( -6.819 0.616 0.098) 6.848 3.584 ( 6.819 0.616 0.098) 6.848 3.886 ( -4.029 3.676 5.739) 7.917 3.886 ( 4.029 3.676 5.739) 7.917 4.208 ( -10.685 9.230 7.794) 16.128 4.208 ( 10.685 9.230 7.794) 16.128 4.362 ( -5.146 -1.877 -2.466) 6.007 4.362 ( 5.146 -1.877 -2.466) 6.007 4.930 ( -0.910 -0.991 11.588) 11.666 4.930 ( 0.910 -0.991 11.588) 11.666 5.491 ( -15.762 -4.953 8.206) 18.447 5.491 ( 15.762 -4.953 8.206) 18.447 5.755 ( -5.511 -0.680 -2.955) 6.290 5.755 ( 5.511 -0.680 -2.955) 6.290 6.194 ( -4.454 -2.769 17.044) 17.832 6.194 ( 4.454 -2.769 17.044) 17.832 6.367 ( -7.554 -4.805 4.750) 10.135 6.367 ( 7.554 -4.805 4.750) 10.135 6.726 ( -14.225 -3.412 -8.056) 16.700 6.726 ( 14.225 -3.412 -8.056) 16.700 7.608 ( -14.688 -2.141 15.993) 21.820 7.608 ( 14.688 -2.141 15.993) 21.820 8.379 ( -12.283 10.400 -10.486) 19.209 8.379 ( 12.283 10.400 -10.486) 19.209 9.245 ( -2.419 3.898 -23.292) 23.739 9.245 ( 2.419 3.898 -23.292) 23.739 9.940 ( -4.871 0.763 -12.676) 13.601 9.940 ( 4.871 0.763 -12.676) 13.601 11.159 ( -4.429 -2.292 12.895) 13.825 11.159 ( 4.429 -2.292 12.895) 13.825 11.357 ( -6.255 -0.728 2.441) 6.754 11.357 ( 6.255 -0.728 2.441) 6.754 11.982 ( -15.168 -10.436 -8.252) 20.176 11.982 ( 15.168 -10.436 -8.252) 20.176 12.691 ( -4.831 6.232 -0.126) 7.886 12.691 ( 4.831 6.232 -0.126) 7.886 18.313 ( -0.337 -0.339 -7.891) 7.905 18.313 ( 0.337 -0.339 -7.891) 7.905 19.453 ( -9.001 1.338 25.678) 27.243 19.453 ( 9.001 1.338 25.678) 27.243 20.432 ( -7.947 -6.879 -2.009) 10.701 20.432 ( 7.947 -6.879 -2.009) 10.701 20.786 ( -1.507 3.483 -13.134) 13.671 20.786 ( 1.507 3.483 -13.134) 13.671 ======================= Grid point 263 (55/75) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 7.664 7.664 14.824) 18.364 2.080 ( 4.698 4.698 13.954) 15.455 2.335 ( 2.271 2.271 2.368) 3.991 2.499 ( 6.270 6.270 2.364) 9.178 2.604 ( 2.346 2.346 -4.733) 5.780 2.852 ( -0.938 -0.938 -5.788) 5.938 2.902 ( 5.406 5.406 -6.007) 9.722 3.052 ( 4.701 4.701 -6.347) 9.191 3.274 ( -1.967 -1.967 -6.956) 7.491 3.276 ( -2.628 -2.628 0.568) 3.759 3.372 ( -2.020 -2.020 7.318) 7.856 3.566 ( 11.069 11.069 1.126) 15.694 3.921 ( 7.110 7.110 10.913) 14.838 4.066 ( -6.863 -6.863 7.182) 12.074 4.149 ( 7.145 7.145 11.603) 15.386 4.175 ( -3.625 -3.625 3.251) 6.070 4.428 ( -1.535 -1.535 1.893) 2.880 4.708 ( 7.482 7.482 4.587) 11.532 4.841 ( -1.656 -1.656 8.549) 8.864 4.862 ( 0.675 0.675 3.559) 3.684 5.193 ( -2.455 -2.455 -0.347) 3.489 5.222 ( -0.228 -0.228 -0.632) 0.710 5.772 ( 3.545 3.545 -3.234) 5.966 5.837 ( 3.389 3.389 -1.149) 4.928 6.183 ( -5.814 -5.814 16.757) 18.666 6.202 ( -6.916 -6.916 19.062) 21.425 6.323 ( -0.356 -0.356 7.553) 7.570 6.465 ( -6.617 -6.617 5.156) 10.684 6.575 ( -3.621 -3.621 7.869) 9.388 7.122 ( -2.550 -2.550 -13.984) 14.441 7.313 ( -6.528 -6.528 11.113) 14.447 7.931 ( 18.085 18.085 -12.288) 28.375 8.044 ( -9.570 -9.570 13.466) 19.091 8.625 ( 2.969 2.969 -12.135) 12.841 9.145 ( 5.633 5.633 -21.342) 22.780 9.344 ( 6.006 6.006 -19.844) 21.585 9.775 ( 6.800 6.800 -8.164) 12.615 10.068 ( -3.300 -3.300 -14.180) 14.928 10.908 ( 7.935 7.935 -2.548) 11.507 11.006 ( 10.551 10.551 3.228) 15.266 11.289 ( -4.636 -4.636 12.088) 13.751 11.441 ( -8.131 -8.131 8.193) 14.120 11.784 ( -7.181 -7.181 -1.726) 10.301 12.368 ( -15.465 -15.465 -0.001) 21.871 12.638 ( 5.115 5.115 -0.013) 7.234 12.921 ( -1.417 -1.417 -6.571) 6.870 18.301 ( -0.093 -0.093 -7.878) 7.879 18.315 ( -0.175 -0.175 -7.824) 7.828 19.250 ( 4.456 4.456 27.697) 28.405 19.794 ( -6.096 -6.096 22.373) 23.977 20.134 ( -0.322 -0.322 -1.633) 1.695 20.557 ( -5.734 -5.734 -9.037) 12.142 20.821 ( 0.720 0.720 -13.351) 13.389 20.915 ( -2.875 -2.875 -5.447) 6.797 ======================= Grid point 264 (56/75) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 6.476 2.121 9.861) 11.986 2.146 ( 1.887 1.259 11.386) 11.610 2.417 ( 6.642 5.813 6.950) 11.234 2.592 ( 2.165 7.856 3.479) 8.861 2.669 ( 4.470 3.111 -4.896) 7.323 2.826 ( -1.579 0.084 -5.968) 6.174 2.980 ( 1.933 3.761 -5.778) 7.160 3.059 ( -4.689 7.449 -4.913) 10.080 3.246 ( 0.416 -2.722 -2.435) 3.676 3.264 ( 0.429 -3.686 -5.611) 6.727 3.381 ( 6.068 -8.217 0.840) 10.249 3.799 ( 1.190 8.186 5.786) 10.095 3.875 ( -3.328 0.037 5.362) 6.311 4.008 ( 0.604 7.040 8.364) 10.949 4.173 ( 4.589 -2.994 2.508) 6.026 4.294 ( 7.579 10.424 8.159) 15.254 4.377 ( -2.851 1.783 8.505) 9.145 4.670 ( -8.820 3.631 2.509) 9.863 4.890 ( 1.347 -0.532 5.969) 6.143 4.933 ( 4.157 3.855 13.371) 14.523 5.145 ( 4.474 -2.763 7.901) 9.491 5.329 ( 7.502 -8.416 -2.862) 11.632 5.761 ( -5.282 -2.806 5.252) 7.960 5.853 ( -7.124 -8.523 2.634) 11.417 6.075 ( -2.524 -2.980 19.067) 19.463 6.130 ( 1.248 -5.334 13.733) 14.785 6.277 ( -3.123 1.552 6.389) 7.279 6.419 ( 5.198 -5.185 2.370) 7.715 6.489 ( -5.220 -1.559 8.219) 9.860 6.977 ( -15.908 -0.769 -7.148) 17.457 7.289 ( 9.302 -7.070 5.817) 13.052 7.816 ( -13.519 -6.629 11.019) 18.659 8.335 ( 19.157 16.740 -12.453) 28.325 8.663 ( 0.335 6.017 -11.343) 12.844 9.257 ( 5.732 5.684 -22.487) 23.892 9.404 ( 0.045 8.430 -21.436) 23.034 9.887 ( 4.669 3.287 -11.167) 12.542 10.009 ( -2.671 -1.063 -14.067) 14.358 11.046 ( 5.726 1.613 3.863) 7.094 11.177 ( -1.067 -1.630 11.388) 11.553 11.241 ( 2.690 -0.399 6.746) 7.273 11.327 ( 1.945 -4.447 2.761) 5.584 11.666 ( -4.137 -9.199 -2.726) 10.448 12.051 ( -16.817 -14.776 -0.825) 22.401 12.731 ( 4.486 6.139 -4.227) 8.699 12.876 ( -3.002 2.887 -7.974) 8.997 18.301 ( 0.107 -0.290 -7.823) 7.829 18.311 ( -0.275 -0.421 -7.776) 7.792 19.353 ( 6.181 3.547 27.591) 28.496 19.646 ( -8.483 -0.660 25.562) 26.941 20.179 ( 4.481 -4.951 -1.203) 6.786 20.429 ( -7.246 -7.711 -3.663) 11.197 20.831 ( 0.443 2.045 -14.408) 14.559 20.869 ( -1.839 0.924 -11.000) 11.191 ======================= Grid point 265 (57/75) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -1.619 -0.116 8.727) 8.877 2.149 ( 1.619 -0.116 8.727) 8.877 2.557 ( -5.853 8.273 7.357) 12.523 2.557 ( 5.853 8.273 7.357) 12.523 2.764 ( -5.061 1.922 -5.062) 7.412 2.764 ( 5.061 1.922 -5.062) 7.412 2.991 ( -0.799 4.103 -6.565) 7.783 2.991 ( 0.799 4.103 -6.565) 7.783 3.265 ( -0.687 -3.839 -4.559) 5.999 3.265 ( 0.687 -3.839 -4.559) 5.999 3.574 ( -12.771 -3.275 2.308) 13.384 3.574 ( 12.771 -3.275 2.308) 13.384 3.972 ( -3.793 4.816 7.633) 9.790 3.972 ( 3.793 4.816 7.633) 9.790 4.298 ( -5.414 -0.564 7.349) 9.145 4.298 ( 5.414 -0.564 7.349) 9.145 4.473 ( -10.479 13.733 1.770) 17.365 4.473 ( 10.479 13.733 1.770) 17.365 4.915 ( -2.084 0.161 10.296) 10.506 4.915 ( 2.084 0.161 10.296) 10.506 5.350 ( -9.463 -8.697 11.045) 16.946 5.350 ( 9.463 -8.697 11.045) 16.946 5.695 ( -4.408 -7.107 1.283) 8.461 5.695 ( 4.408 -7.107 1.283) 8.461 6.090 ( -3.105 -6.352 19.499) 20.741 6.090 ( 3.105 -6.352 19.499) 20.741 6.358 ( -7.280 2.948 5.403) 9.533 6.358 ( 7.280 2.948 5.403) 9.533 6.646 ( -16.185 -3.112 -4.344) 17.045 6.646 ( 16.185 -3.112 -4.344) 17.045 7.538 ( -14.695 -5.280 6.996) 17.111 7.538 ( 14.695 -5.280 6.996) 17.111 8.600 ( -7.927 10.950 -10.580) 17.166 8.600 ( 7.927 10.950 -10.580) 17.166 9.357 ( -4.328 7.476 -22.873) 24.450 9.357 ( 4.328 7.476 -22.873) 24.450 9.958 ( -2.917 0.942 -13.361) 13.708 9.958 ( 2.917 0.942 -13.361) 13.708 11.109 ( -2.764 -2.366 12.283) 12.810 11.109 ( 2.764 -2.366 12.283) 12.810 11.337 ( -5.783 -1.428 1.533) 6.151 11.337 ( 5.783 -1.428 1.533) 6.151 11.749 ( -13.011 -12.770 -2.830) 18.449 11.749 ( 13.011 -12.770 -2.830) 18.449 12.811 ( -3.757 5.542 -7.026) 9.705 12.811 ( 3.757 5.542 -7.026) 9.705 18.305 ( -0.272 -0.435 -7.784) 7.801 18.305 ( 0.272 -0.435 -7.784) 7.801 19.487 ( -7.702 2.050 27.001) 28.153 19.487 ( 7.702 2.050 27.001) 28.153 20.290 ( -6.787 -7.157 -1.401) 9.962 20.290 ( 6.787 -7.157 -1.401) 9.962 20.843 ( -0.920 2.250 -13.792) 14.005 20.843 ( 0.920 2.250 -13.792) 14.005 ======================= Grid point 273 (58/75) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 1.909 1.909 7.051) 7.550 2.157 ( -0.107 -0.107 8.871) 8.872 2.573 ( 9.918 9.918 9.468) 16.923 2.727 ( 3.601 3.601 -5.004) 7.139 2.745 ( 5.694 5.694 4.606) 9.277 2.824 ( -0.434 -0.434 -4.519) 4.560 3.046 ( 2.379 2.379 -3.441) 4.812 3.182 ( -3.937 -3.937 -0.657) 5.606 3.213 ( -0.493 -0.493 -2.168) 2.278 3.214 ( -1.250 -1.250 -10.287) 10.438 3.249 ( 4.334 4.334 -5.793) 8.434 3.692 ( -11.300 -11.300 3.684) 16.400 3.982 ( 3.727 3.727 5.152) 7.371 4.065 ( -2.397 -2.397 1.364) 3.654 4.210 ( 7.603 7.603 13.341) 17.134 4.359 ( -0.054 -0.054 10.283) 10.283 4.561 ( 12.562 12.562 8.032) 19.496 4.719 ( 1.565 1.565 10.820) 11.044 4.912 ( 2.174 2.174 2.751) 4.126 5.027 ( 3.634 3.634 24.517) 25.050 5.127 ( -0.519 -0.519 -2.907) 2.998 5.198 ( -1.073 -1.073 1.536) 2.159 5.572 ( -13.330 -13.330 17.979) 26.050 5.682 ( -10.065 -10.065 -6.091) 15.483 6.009 ( -3.587 -3.587 19.108) 19.770 6.036 ( -4.708 -4.708 23.260) 24.194 6.366 ( 2.121 2.121 9.815) 10.263 6.404 ( 9.773 9.773 -4.489) 14.532 6.459 ( -2.178 -2.178 8.610) 9.144 6.923 ( -8.565 -8.565 20.334) 23.669 7.224 ( 4.275 4.275 -24.329) 25.069 7.643 ( -11.061 -11.061 1.284) 15.695 8.628 ( 11.883 11.883 -9.731) 19.419 8.753 ( 3.108 3.108 -11.667) 12.468 9.383 ( 7.182 7.182 -21.550) 23.824 9.528 ( 3.280 3.280 -19.547) 20.089 9.936 ( 1.801 1.801 -12.907) 13.156 9.993 ( -0.806 -0.806 -13.733) 13.781 11.067 ( 0.747 0.747 8.124) 8.192 11.138 ( -1.817 -1.817 11.830) 12.105 11.227 ( -1.204 -1.204 0.343) 1.736 11.333 ( 5.490 5.490 2.964) 8.310 11.488 ( -8.558 -8.558 -1.138) 12.156 11.768 ( -14.066 -14.066 0.530) 19.900 12.833 ( 4.280 4.280 -9.076) 10.910 12.908 ( 0.444 0.444 -10.764) 10.782 18.297 ( -0.095 -0.095 -7.705) 7.706 18.303 ( -0.348 -0.348 -7.707) 7.723 19.432 ( 4.582 4.582 28.265) 28.999 19.608 ( -3.361 -3.361 28.552) 28.945 20.128 ( -0.011 -0.011 -1.953) 1.953 20.286 ( -6.864 -6.864 -1.783) 9.870 20.859 ( 0.989 0.989 -14.681) 14.748 20.878 ( 0.014 0.014 -13.280) 13.280 ======================= Grid point 274 (59/75) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -1.114 -0.252 6.954) 7.047 2.145 ( 1.114 -0.252 6.954) 7.047 2.740 ( -4.611 9.612 6.344) 12.406 2.740 ( 4.611 9.612 6.344) 12.406 2.806 ( -2.271 2.128 -2.086) 3.746 2.806 ( 2.271 2.128 -2.086) 3.747 3.073 ( -2.432 3.606 -3.064) 5.320 3.073 ( 2.432 3.606 -3.064) 5.320 3.207 ( -0.525 -1.701 -9.189) 9.360 3.207 ( 0.525 -1.701 -9.189) 9.360 3.454 ( -12.454 -8.228 0.796) 14.948 3.454 ( 12.454 -8.228 0.796) 14.948 4.021 ( -1.671 -0.016 1.854) 2.496 4.021 ( 1.671 -0.016 1.854) 2.496 4.326 ( -3.657 3.026 16.365) 17.040 4.326 ( 3.657 3.026 16.365) 17.040 4.729 ( -2.411 11.357 7.318) 13.724 4.729 ( 2.411 11.357 7.318) 13.724 4.976 ( -6.536 7.123 2.676) 10.030 4.976 ( 6.536 7.123 2.676) 10.030 5.187 ( -7.898 -7.707 19.814) 22.680 5.187 ( 7.898 -7.707 19.814) 22.680 5.484 ( -7.886 -13.439 -1.421) 15.647 5.484 ( 7.886 -13.439 -1.421) 15.647 5.975 ( -0.765 -5.369 21.361) 22.039 5.975 ( 0.765 -5.369 21.361) 22.039 6.408 ( -2.723 1.138 9.098) 9.565 6.408 ( 2.723 1.138 9.098) 9.565 6.671 ( -15.213 5.519 6.840) 17.569 6.671 ( 15.213 5.519 6.840) 17.569 7.410 ( -12.302 -7.282 -11.504) 18.350 7.410 ( 12.302 -7.282 -11.504) 18.350 8.765 ( -2.552 5.783 -10.590) 12.333 8.765 ( 2.552 5.783 -10.590) 12.333 9.510 ( -4.832 7.309 -19.311) 21.206 9.510 ( 4.832 7.309 -19.311) 21.206 9.969 ( -1.668 0.009 -13.365) 13.468 9.969 ( 1.668 0.009 -13.365) 13.468 11.091 ( -2.241 1.091 9.911) 10.220 11.091 ( 2.241 1.091 9.911) 10.220 11.294 ( -7.093 -3.396 -0.017) 7.864 11.294 ( 7.093 -3.396 -0.017) 7.864 11.527 ( -10.497 -9.030 1.114) 13.891 11.527 ( 10.497 -9.030 1.114) 13.891 12.894 ( -1.961 2.951 -11.186) 11.734 12.894 ( 1.961 2.951 -11.186) 11.734 18.298 ( -0.161 -0.276 -7.668) 7.675 18.298 ( 0.161 -0.276 -7.668) 7.675 19.525 ( -4.845 1.641 28.920) 29.369 19.525 ( 4.845 1.641 28.920) 29.369 20.174 ( -4.455 -4.522 -1.548) 6.533 20.174 ( 4.455 -4.522 -1.548) 6.533 20.873 ( -0.467 0.896 -14.388) 14.424 20.873 ( 0.467 0.896 -14.388) 14.424 ======================= Grid point 287 (60/75) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -0.000 -0.000 6.249) 6.249 2.142 ( 0.000 0.000 6.249) 6.249 2.817 ( 0.000 0.000 -3.414) 3.414 2.817 ( 0.000 0.000 -3.414) 3.414 2.872 ( -0.000 -0.000 8.102) 8.102 2.872 ( 0.000 0.000 8.102) 8.102 3.097 ( 0.000 0.000 -2.973) 2.973 3.097 ( 0.000 0.000 -2.973) 2.973 3.212 ( 0.000 0.000 -3.718) 3.718 3.212 ( 0.000 0.000 -3.718) 3.718 3.337 ( 0.000 0.000 -5.360) 5.360 3.337 ( 0.000 0.000 -5.360) 5.360 4.012 ( 0.000 0.000 -0.642) 0.642 4.012 ( 0.000 0.000 -0.642) 0.642 4.362 ( 0.000 0.000 20.642) 20.642 4.362 ( 0.000 0.000 20.642) 20.642 4.861 ( 0.000 0.000 7.482) 7.482 4.861 ( 0.000 0.000 7.482) 7.482 5.087 ( 0.000 0.000 31.708) 31.708 5.087 ( 0.000 0.000 31.708) 31.708 5.141 ( -0.000 -0.000 -7.327) 7.327 5.141 ( 0.000 0.000 -7.327) 7.327 5.264 ( 0.000 0.000 -2.653) 2.653 5.264 ( 0.000 0.000 -2.653) 2.653 5.915 ( 0.000 0.000 21.844) 21.844 5.915 ( 0.000 0.000 21.844) 21.844 6.415 ( 0.000 0.000 9.096) 9.096 6.415 ( 0.000 0.000 9.096) 9.096 6.754 ( -0.000 -0.000 20.707) 20.707 6.754 ( 0.000 0.000 20.707) 20.707 7.320 ( 0.000 0.000 -26.607) 26.607 7.320 ( 0.000 0.000 -26.607) 26.607 8.820 ( 0.000 0.000 -11.223) 11.223 8.820 ( 0.000 0.000 -11.223) 11.223 9.590 ( 0.000 0.000 -16.920) 16.920 9.590 ( 0.000 0.000 -16.920) 16.920 9.965 ( -0.000 -0.000 -12.721) 12.721 9.965 ( 0.000 0.000 -12.721) 12.721 11.132 ( 0.000 0.000 8.454) 8.454 11.132 ( 0.000 0.000 8.454) 8.454 11.225 ( -0.000 -0.000 -1.462) 1.462 11.225 ( 0.000 0.000 -1.462) 1.462 11.440 ( -0.000 -0.000 2.988) 2.988 11.440 ( 0.000 0.000 2.988) 2.988 12.922 ( 0.000 0.000 -12.565) 12.565 12.922 ( 0.000 0.000 -12.565) 12.565 18.295 ( 0.000 0.000 -7.618) 7.618 18.295 ( 0.000 0.000 -7.618) 7.618 19.542 ( 0.000 0.000 30.024) 30.024 19.542 ( 0.000 0.000 30.024) 30.024 20.128 ( 0.000 0.000 -1.984) 1.984 20.128 ( 0.000 0.000 -1.984) 1.984 20.881 ( 0.000 0.000 -14.596) 14.596 20.881 ( 0.000 0.000 -14.596) 14.596 ======================= Grid point 324 (61/75) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -0.000 0.000 19.013) 19.013 1.964 ( 0.000 -0.000 19.013) 19.013 2.181 ( 0.000 0.000 0.003) 0.003 2.297 ( -0.000 -0.000 -2.580) 2.580 2.300 ( 0.000 0.000 -13.567) 13.567 2.300 ( -0.000 0.000 -13.567) 13.567 2.794 ( 0.000 0.000 -2.718) 2.718 2.794 ( 0.000 0.000 -2.718) 2.718 3.190 ( 0.000 0.000 6.933) 6.933 3.472 ( 0.000 -0.000 0.816) 0.816 3.544 ( 0.000 0.000 0.740) 0.740 3.544 ( 0.000 0.000 0.740) 0.740 3.742 ( 0.000 0.000 -2.872) 2.872 4.056 ( 0.000 0.000 8.397) 8.397 4.370 ( 0.000 0.000 6.111) 6.111 4.370 ( 0.000 0.000 6.111) 6.111 4.525 ( 0.000 0.000 -3.475) 3.475 4.525 ( 0.000 0.000 -3.475) 3.475 4.575 ( -0.000 -0.000 0.044) 0.044 5.165 ( 0.000 0.000 1.729) 1.729 5.243 ( -0.000 -0.000 3.947) 3.947 5.243 ( 0.000 0.000 3.947) 3.947 5.443 ( 0.000 -0.000 -9.548) 9.548 5.443 ( 0.000 0.000 -9.548) 9.548 5.549 ( 0.000 0.000 0.745) 0.745 6.152 ( 0.000 0.000 -3.804) 3.804 6.576 ( 0.000 0.000 -2.289) 2.289 6.815 ( 0.000 0.000 3.174) 3.174 6.983 ( 0.000 0.000 16.086) 16.086 6.983 ( 0.000 0.000 16.086) 16.086 7.884 ( -0.000 -0.000 1.974) 1.974 8.229 ( 0.000 -0.000 -13.024) 13.024 8.229 ( -0.000 -0.000 -13.024) 13.024 8.625 ( -0.000 -0.000 -1.263) 1.263 8.897 ( 0.000 0.000 1.352) 1.352 8.897 ( -0.000 -0.000 1.352) 1.352 9.004 ( 0.000 0.000 -3.335) 3.335 10.078 ( 0.000 0.000 -5.692) 5.692 10.309 ( 0.000 0.000 0.712) 0.712 10.309 ( -0.000 -0.000 0.712) 0.712 11.597 ( 0.000 0.000 -0.403) 0.403 11.684 ( 0.000 0.000 4.307) 4.307 12.421 ( 0.000 0.000 0.936) 0.936 12.556 ( 0.000 0.000 3.363) 3.363 13.062 ( 0.000 -0.000 0.428) 0.428 13.062 ( 0.000 0.000 0.428) 0.428 18.195 ( 0.000 -0.000 -3.019) 3.019 18.195 ( 0.000 0.000 -3.019) 3.019 19.583 ( 0.000 0.000 24.746) 24.746 20.148 ( 0.000 0.000 -0.383) 0.383 20.148 ( -0.000 -0.000 -0.383) 0.383 20.237 ( 0.000 0.000 -21.809) 21.809 20.809 ( 0.000 0.000 -0.875) 0.875 21.299 ( -0.000 -0.000 0.551) 0.551 ======================= Grid point 325 (62/75) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 6.345 0.000 15.662) 16.898 2.025 ( 6.024 0.000 17.690) 18.688 2.227 ( 4.330 0.000 0.330) 4.342 2.292 ( 0.745 0.000 -2.927) 3.020 2.354 ( 4.203 0.000 -12.826) 13.497 2.398 ( 8.446 0.000 -8.857) 12.239 2.776 ( -1.670 0.000 -3.689) 4.050 2.810 ( 1.505 0.000 -2.518) 2.934 3.170 ( -0.215 0.000 5.567) 5.571 3.417 ( -3.024 0.000 0.182) 3.030 3.506 ( -0.423 0.000 -0.501) 0.656 3.545 ( 0.029 0.000 0.973) 0.973 4.017 ( 21.853 0.000 0.114) 21.854 4.021 ( -8.075 0.000 12.093) 14.541 4.152 ( -8.847 0.000 -2.084) 9.089 4.356 ( -3.300 0.000 5.875) 6.738 4.392 ( -2.259 0.000 -1.355) 2.634 4.453 ( -5.580 0.000 -3.106) 6.386 4.951 ( 16.468 0.000 5.560) 17.381 5.095 ( -5.939 0.000 0.254) 5.944 5.245 ( -0.077 0.000 2.398) 2.400 5.273 ( 2.132 0.000 -2.406) 3.215 5.349 ( -4.672 0.000 -4.039) 6.176 5.692 ( 24.974 0.000 -5.877) 25.657 5.732 ( 13.010 0.000 -2.630) 13.273 6.194 ( 3.585 0.000 -3.689) 5.144 6.591 ( 2.045 0.000 -2.981) 3.615 6.761 ( -5.255 0.000 4.845) 7.148 6.949 ( -3.296 0.000 15.937) 16.274 6.952 ( -3.078 0.000 13.541) 13.886 7.729 ( -14.374 0.000 1.984) 14.510 8.160 ( -7.417 0.000 -8.760) 11.478 8.250 ( 2.098 0.000 -11.325) 11.518 8.599 ( -2.994 0.000 2.146) 3.683 8.724 ( -6.333 0.000 -4.487) 7.762 8.875 ( -2.096 0.000 -2.613) 3.350 9.253 ( 14.768 0.000 -1.499) 14.844 10.045 ( -3.385 0.000 -5.615) 6.557 10.406 ( 9.742 0.000 0.442) 9.752 10.473 ( 15.717 0.000 0.399) 15.722 11.624 ( 2.433 0.000 0.126) 2.436 11.649 ( -3.489 0.000 4.354) 5.579 12.289 ( -12.986 0.000 0.686) 13.004 12.571 ( 1.464 0.000 3.342) 3.648 12.973 ( -9.140 0.000 -0.007) 9.140 13.015 ( -4.721 0.000 0.349) 4.734 18.195 ( -0.041 0.000 -3.038) 3.038 18.202 ( 0.585 0.000 -2.976) 3.033 19.605 ( 2.253 0.000 24.381) 24.484 20.125 ( -2.362 0.000 1.207) 2.653 20.164 ( 1.747 0.000 -0.605) 1.848 20.250 ( 1.394 0.000 -21.164) 21.210 20.760 ( -4.821 0.000 -1.899) 5.181 21.227 ( -7.165 0.000 0.897) 7.221 ======================= Grid point 326 (63/75) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 7.357 0.000 16.096) 17.698 2.205 ( 11.241 0.000 11.250) 15.904 2.326 ( 2.848 0.000 0.292) 2.863 2.339 ( 7.108 0.000 0.334) 7.115 2.457 ( 6.416 0.000 -13.356) 14.817 2.521 ( 2.606 0.000 -1.549) 3.032 2.735 ( -2.651 0.000 -7.744) 8.185 2.834 ( 0.263 0.000 -2.389) 2.403 3.279 ( 12.663 0.000 3.377) 13.106 3.416 ( 2.331 0.000 0.698) 2.433 3.525 ( 2.975 0.000 -1.025) 3.147 3.541 ( -0.580 0.000 2.265) 2.339 3.779 ( -11.418 0.000 2.499) 11.688 4.115 ( -0.895 0.000 3.983) 4.082 4.129 ( -15.918 0.000 1.738) 16.012 4.348 ( -1.652 0.000 -0.627) 1.767 4.419 ( 0.143 0.000 2.655) 2.659 4.520 ( 27.541 0.000 1.142) 27.564 4.926 ( -12.361 0.000 -0.052) 12.361 5.141 ( 3.178 0.000 12.094) 12.505 5.229 ( -1.537 0.000 1.974) 2.502 5.335 ( 3.997 0.000 -4.241) 5.828 5.376 ( 9.420 0.000 -10.682) 14.243 5.995 ( 13.808 0.000 -3.120) 14.156 6.168 ( 16.243 0.000 -0.017) 16.243 6.237 ( -0.465 0.000 -1.014) 1.116 6.633 ( -7.385 0.000 6.522) 9.853 6.696 ( 8.018 0.000 -5.685) 9.829 6.869 ( -5.364 0.000 9.926) 11.283 6.882 ( -1.922 0.000 13.334) 13.472 7.442 ( -10.840 0.000 1.735) 10.978 7.984 ( -8.293 0.000 -2.131) 8.563 8.293 ( 1.296 0.000 -6.565) 6.692 8.496 ( -7.555 0.000 8.809) 11.605 8.696 ( 2.271 0.000 -10.140) 10.391 8.828 ( -2.386 0.000 -11.655) 11.897 9.509 ( 11.256 0.000 -2.000) 11.432 9.955 ( -5.590 0.000 -5.656) 7.952 10.667 ( 16.649 0.000 0.178) 16.650 10.856 ( 22.596 0.000 -0.037) 22.596 11.560 ( -5.352 0.000 4.511) 6.999 11.661 ( 0.213 0.000 2.181) 2.191 11.974 ( -17.688 0.000 -1.174) 17.727 12.604 ( 1.160 0.000 2.915) 3.137 12.722 ( -15.901 0.000 -0.927) 15.928 12.895 ( -7.123 0.000 0.408) 7.135 18.195 ( 0.114 0.000 -3.063) 3.065 18.213 ( 0.452 0.000 -2.904) 2.939 19.667 ( 4.026 0.000 23.165) 23.512 20.060 ( -4.268 0.000 5.585) 7.029 20.217 ( 3.756 0.000 -1.962) 4.237 20.293 ( 3.172 0.000 -18.431) 18.702 20.641 ( -6.941 0.000 -4.760) 8.417 21.039 ( -11.763 0.000 1.061) 11.810 ======================= Grid point 327 (64/75) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 5.146 0.000 11.750) 12.828 2.382 ( 4.018 0.000 13.830) 14.402 2.401 ( 4.674 0.000 1.287) 4.848 2.479 ( 5.458 0.000 2.806) 6.137 2.556 ( 4.604 0.000 -3.479) 5.771 2.589 ( 6.555 0.000 -8.958) 11.100 2.682 ( -1.808 0.000 -11.576) 11.717 2.801 ( -3.713 0.000 -3.363) 5.010 3.462 ( -1.263 0.000 5.569) 5.711 3.464 ( 2.190 0.000 1.435) 2.619 3.560 ( 1.196 0.000 -1.829) 2.185 3.640 ( 7.370 0.000 1.504) 7.522 3.746 ( 15.227 0.000 2.489) 15.429 3.806 ( -14.749 0.000 -2.042) 14.890 4.046 ( -6.039 0.000 0.019) 6.039 4.350 ( 1.711 0.000 1.922) 2.573 4.414 ( -1.108 0.000 3.688) 3.850 4.611 ( -19.043 0.000 -0.137) 19.044 5.029 ( 17.940 0.000 4.799) 18.571 5.151 ( -0.703 0.000 8.954) 8.982 5.259 ( 10.592 0.000 3.444) 11.137 5.462 ( 7.957 0.000 -6.240) 10.112 5.555 ( 6.863 0.000 -8.778) 11.143 6.084 ( -14.636 0.000 4.884) 15.429 6.253 ( 12.365 0.000 -4.688) 13.224 6.315 ( 1.804 0.000 2.264) 2.895 6.503 ( -5.155 0.000 6.747) 8.491 6.718 ( -2.943 0.000 4.502) 5.379 6.760 ( -5.242 0.000 7.612) 9.242 6.811 ( -10.253 0.000 -2.773) 10.621 7.548 ( 19.540 0.000 6.907) 20.725 7.937 ( 4.818 0.000 -2.175) 5.286 8.211 ( -11.178 0.000 8.619) 14.115 8.348 ( -7.675 0.000 1.120) 7.756 8.764 ( 3.749 0.000 -12.704) 13.245 8.802 ( 0.089 0.000 -17.128) 17.128 9.676 ( 6.008 0.000 -3.376) 6.891 9.845 ( -5.372 0.000 -5.628) 7.780 11.017 ( 18.663 0.000 0.589) 18.672 11.295 ( 20.668 0.000 1.803) 20.746 11.465 ( -3.782 0.000 4.745) 6.068 11.564 ( -10.460 0.000 7.846) 13.076 11.722 ( -5.622 0.000 -8.790) 10.434 12.333 ( -21.831 0.000 -3.285) 22.077 12.654 ( 1.866 0.000 2.987) 3.522 12.768 ( -5.395 0.000 1.083) 5.503 18.200 ( 0.403 0.000 -3.042) 3.068 18.216 ( -0.134 0.000 -2.897) 2.900 19.756 ( 5.097 0.000 20.736) 21.353 19.966 ( -5.336 0.000 11.373) 12.563 20.302 ( 4.658 0.000 -7.754) 9.045 20.386 ( 6.884 0.000 -9.985) 12.128 20.509 ( -6.497 0.000 -8.397) 10.617 20.796 ( -12.909 0.000 -0.046) 12.909 ======================= Grid point 328 (65/75) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -3.377 0.000 11.327) 11.820 2.366 ( 3.377 0.000 11.327) 11.820 2.487 ( -3.536 0.000 1.779) 3.958 2.487 ( 3.536 0.000 1.779) 3.958 2.659 ( -1.553 0.000 -4.448) 4.712 2.659 ( 1.553 0.000 -4.448) 4.712 2.708 ( -4.368 0.000 -7.775) 8.918 2.708 ( 4.368 0.000 -7.775) 8.918 3.474 ( -2.834 0.000 5.668) 6.337 3.474 ( 2.834 0.000 5.668) 6.337 3.560 ( -2.956 0.000 -2.834) 4.095 3.560 ( 2.956 0.000 -2.834) 4.095 3.855 ( -9.214 0.000 0.603) 9.233 3.855 ( 9.214 0.000 0.603) 9.233 4.188 ( -22.106 0.000 0.216) 22.107 4.188 ( 22.106 0.000 0.216) 22.107 4.394 ( -2.466 0.000 1.978) 3.161 4.394 ( 2.466 0.000 1.978) 3.161 5.134 ( -1.067 0.000 7.132) 7.211 5.134 ( 1.067 0.000 7.132) 7.211 5.588 ( -3.549 0.000 -7.502) 8.299 5.588 ( 3.549 0.000 -7.502) 8.299 5.690 ( -24.734 0.000 5.587) 25.357 5.690 ( 24.734 0.000 5.587) 25.357 6.351 ( -2.212 0.000 1.811) 2.859 6.351 ( 2.212 0.000 1.811) 2.859 6.566 ( -11.904 0.000 -1.206) 11.965 6.566 ( 11.904 0.000 -1.206) 11.965 6.696 ( -0.727 0.000 4.859) 4.913 6.696 ( 0.727 0.000 4.859) 4.913 7.926 ( -17.443 0.000 15.276) 23.186 7.926 ( 17.443 0.000 15.276) 23.186 8.139 ( -13.301 0.000 -6.598) 14.847 8.139 ( 13.301 0.000 -6.598) 14.847 8.809 ( -0.509 0.000 -15.259) 15.267 8.809 ( 0.509 0.000 -15.259) 15.267 9.760 ( -3.629 0.000 -4.956) 6.143 9.760 ( 3.629 0.000 -4.956) 6.143 11.341 ( -13.525 0.000 2.709) 13.794 11.341 ( 13.525 0.000 2.709) 13.794 11.445 ( -1.879 0.000 5.323) 5.645 11.445 ( 1.879 0.000 5.323) 5.645 11.897 ( -21.617 0.000 -6.821) 22.667 11.897 ( 21.617 0.000 -6.821) 22.667 12.694 ( -2.569 0.000 2.189) 3.375 12.694 ( 2.569 0.000 2.189) 3.375 18.209 ( -0.498 0.000 -2.966) 3.007 18.209 ( 0.498 0.000 -2.966) 3.007 19.860 ( -5.535 0.000 16.758) 17.648 19.860 ( 5.535 0.000 16.758) 17.648 20.396 ( -5.261 0.000 -10.642) 11.872 20.396 ( 5.261 0.000 -10.642) 11.872 20.561 ( -10.991 0.000 -2.959) 11.382 20.561 ( 10.991 0.000 -2.959) 11.382 ======================= Grid point 334 (66/75) ======================= q-point: ( 0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 2.748 2.748 13.252) 13.810 2.133 ( 6.001 6.001 15.590) 17.750 2.262 ( 3.335 3.335 0.928) 4.806 2.320 ( 2.074 2.074 -1.552) 3.319 2.403 ( 4.730 4.730 -9.962) 11.999 2.481 ( 7.858 7.858 -8.405) 13.933 2.768 ( -0.820 -0.820 -3.561) 3.745 2.830 ( 1.813 1.813 -3.163) 4.072 3.185 ( 2.854 2.854 4.540) 6.075 3.332 ( -5.292 -5.292 -1.632) 7.660 3.422 ( -2.216 -2.216 0.835) 3.243 3.718 ( 6.514 6.514 2.455) 9.534 3.898 ( -11.649 -11.649 3.797) 16.906 4.138 ( 2.620 2.620 4.581) 5.893 4.144 ( 13.751 13.751 0.654) 19.458 4.337 ( -1.457 -1.457 6.259) 6.590 4.422 ( 0.543 0.543 -0.804) 1.112 4.465 ( -2.606 -2.606 -2.766) 4.608 4.928 ( 1.815 1.815 3.713) 4.514 5.042 ( -4.521 -4.521 -0.292) 6.400 5.234 ( -0.653 -0.653 2.030) 2.230 5.262 ( -1.001 -1.001 -1.042) 1.757 5.511 ( 2.712 2.712 -6.091) 7.198 5.575 ( 7.951 7.951 -0.359) 11.250 6.051 ( 19.237 19.237 -4.260) 27.537 6.242 ( 4.198 4.198 -3.700) 6.996 6.582 ( -1.535 -1.535 -1.608) 2.701 6.773 ( 2.692 2.692 2.750) 4.696 6.909 ( -3.791 -3.791 14.894) 15.829 6.933 ( -1.097 -1.097 13.956) 14.042 7.562 ( -15.268 -15.268 1.304) 21.632 8.081 ( -8.373 -8.373 -4.568) 12.692 8.255 ( 0.960 0.960 -10.890) 10.974 8.605 ( -0.751 -0.751 7.574) 7.649 8.694 ( -0.930 -0.930 -7.213) 7.332 8.870 ( -0.344 -0.344 -8.576) 8.590 9.370 ( 9.835 9.835 -1.634) 14.005 10.013 ( -3.191 -3.191 -5.596) 7.189 10.499 ( 8.751 8.751 -0.497) 12.385 10.587 ( 11.834 11.834 0.952) 16.763 11.616 ( -3.348 -3.348 4.402) 6.465 11.643 ( 1.612 1.612 0.694) 2.384 12.169 ( -11.684 -11.684 0.575) 16.534 12.587 ( 1.465 1.465 2.981) 3.630 12.873 ( -9.565 -9.565 0.296) 13.531 12.984 ( -3.698 -3.698 -0.467) 5.251 18.195 ( 0.003 0.003 -2.997) 2.997 18.205 ( 0.330 0.330 -2.985) 3.021 19.627 ( 2.231 2.231 24.049) 24.255 20.133 ( -0.664 -0.664 -0.540) 1.083 20.150 ( 0.109 0.109 2.878) 2.882 20.261 ( 1.080 1.080 -20.597) 20.654 20.718 ( -4.122 -4.122 -3.166) 6.634 21.162 ( -6.538 -6.538 1.016) 9.302 ======================= Grid point 335 (67/75) ======================= q-point: ( 0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 8.872 -0.554 11.745) 14.730 2.252 ( 6.484 3.291 10.615) 12.867 2.331 ( 3.695 1.666 1.966) 4.505 2.395 ( 5.722 4.225 -1.774) 7.331 2.486 ( 3.003 1.979 -4.933) 6.105 2.629 ( 6.367 9.593 -4.595) 12.397 2.740 ( -2.153 0.635 -6.346) 6.732 2.863 ( 0.885 2.804 -3.210) 4.353 3.288 ( 0.819 -8.107 -1.503) 8.286 3.347 ( 13.002 6.144 2.960) 14.682 3.388 ( 0.243 -4.788 0.139) 4.797 3.648 ( -10.053 -8.341 3.084) 13.422 3.820 ( 2.795 13.040 0.180) 13.337 4.177 ( -4.324 6.526 6.542) 10.202 4.228 ( -9.566 4.915 1.827) 10.909 4.302 ( 0.669 -3.312 1.535) 3.711 4.429 ( 0.334 1.500 1.473) 2.128 4.608 ( 23.763 8.242 1.406) 25.191 4.882 ( -10.189 -2.981 0.458) 10.626 5.068 ( 7.366 -6.725 5.993) 11.636 5.225 ( -1.208 -0.404 1.701) 2.125 5.243 ( 1.498 -2.652 -3.103) 4.349 5.524 ( 3.389 7.629 -6.266) 10.437 5.842 ( 13.830 -7.333 -1.903) 15.769 6.297 ( -0.485 5.944 -0.302) 5.971 6.316 ( 6.735 6.725 -0.116) 9.519 6.520 ( -4.179 -6.409 2.800) 8.147 6.777 ( -4.549 -0.597 5.266) 6.984 6.819 ( -5.532 -4.509 10.415) 12.626 7.030 ( 1.420 13.853 4.081) 14.511 7.309 ( 2.554 -7.663 1.836) 8.283 7.894 ( -8.369 -8.877 -1.023) 12.243 8.269 ( -0.853 -2.439 -6.414) 6.915 8.545 ( -4.591 2.890 13.346) 14.406 8.722 ( 3.359 2.499 -10.885) 11.663 8.860 ( -1.067 3.985 -16.979) 17.473 9.562 ( 8.997 4.833 -2.288) 10.466 9.930 ( -5.059 -2.479 -5.682) 8.001 10.724 ( 14.316 5.652 -0.539) 15.400 10.899 ( 19.420 4.748 0.564) 20.000 11.530 ( -5.127 -2.977 4.554) 7.476 11.657 ( -1.450 -0.821 3.257) 3.658 11.890 ( -15.299 -8.066 -1.655) 17.374 12.604 ( -9.364 -4.302 0.465) 10.316 12.636 ( -5.144 -4.090 1.531) 6.748 12.883 ( -6.102 -1.542 -0.895) 6.357 18.195 ( 0.050 0.013 -3.005) 3.005 18.212 ( 0.287 -0.109 -2.919) 2.935 19.688 ( 3.963 2.143 22.916) 23.355 20.075 ( -4.190 1.593 4.935) 6.667 20.197 ( 3.724 -2.150 1.676) 4.615 20.293 ( 2.350 0.106 -18.143) 18.295 20.617 ( -5.764 -2.310 -6.805) 9.212 20.990 ( -10.764 -4.928 0.668) 11.857 ======================= Grid point 336 (68/75) ======================= q-point: ( 0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 5.819 -0.895 11.143) 12.603 2.369 ( 3.350 -0.419 10.509) 11.038 2.435 ( 7.554 3.115 4.180) 9.178 2.489 ( 3.213 1.370 -3.851) 5.199 2.543 ( 4.815 3.414 -1.345) 6.054 2.678 ( -1.935 0.705 -8.674) 8.915 2.736 ( 2.218 8.498 -5.491) 10.358 2.838 ( -3.694 3.572 -3.833) 6.411 3.334 ( 2.988 -10.139 -0.549) 10.584 3.369 ( -0.009 -7.959 1.375) 8.076 3.501 ( -1.426 -1.612 -0.120) 2.156 3.725 ( 16.678 4.364 3.841) 17.662 3.877 ( -1.132 11.792 2.523) 12.112 3.912 ( -6.995 7.373 -0.557) 10.178 4.136 ( -5.208 5.558 -0.999) 7.682 4.352 ( 3.435 1.830 4.436) 5.902 4.431 ( -0.397 2.610 3.443) 4.338 4.606 ( -17.675 0.356 -0.348) 17.682 5.034 ( 12.212 -0.050 5.647) 13.454 5.149 ( -0.277 -0.327 8.759) 8.769 5.285 ( 15.209 2.174 5.107) 16.190 5.366 ( 9.947 -6.189 -6.560) 13.427 5.601 ( 2.645 2.663 -8.438) 9.236 6.082 ( 8.798 -9.839 -0.817) 13.224 6.168 ( -11.021 5.514 3.048) 12.695 6.370 ( 1.151 2.130 2.712) 3.636 6.450 ( -2.687 -3.646 5.703) 7.283 6.664 ( -8.781 -5.114 4.077) 10.949 6.701 ( -5.064 -4.458 5.293) 8.575 6.802 ( -12.521 -4.938 -2.855) 13.759 7.659 ( 16.625 6.420 14.422) 22.926 7.900 ( 13.125 1.813 -8.018) 15.487 8.160 ( -10.439 -6.003 4.931) 13.012 8.460 ( -5.596 9.441 7.736) 13.428 8.791 ( 2.947 2.663 -13.915) 14.471 8.832 ( -1.047 3.956 -20.395) 20.802 9.696 ( 4.782 1.808 -3.658) 6.286 9.834 ( -4.473 -0.983 -5.652) 7.274 11.030 ( 16.654 1.351 0.315) 16.712 11.289 ( 18.886 -0.366 1.869) 18.982 11.439 ( -3.658 -2.591 4.737) 6.522 11.527 ( -10.467 -3.833 7.625) 13.505 11.683 ( -5.242 -3.823 -7.709) 10.076 12.249 ( -20.914 -8.351 -2.155) 22.623 12.664 ( 1.993 1.028 1.754) 2.847 12.774 ( -4.721 0.419 -0.343) 4.752 18.199 ( 0.315 -0.120 -2.995) 3.014 18.213 ( -0.165 -0.302 -2.894) 2.914 19.776 ( 5.008 1.986 20.589) 21.282 19.982 ( -5.279 1.714 11.172) 12.475 20.282 ( 4.645 -2.275 -2.371) 5.690 20.354 ( 3.641 -2.649 -9.516) 10.528 20.518 ( -3.572 0.591 -12.131) 12.659 20.768 ( -11.686 -2.769 -1.332) 12.083 ======================= Grid point 337 (69/75) ======================= q-point: (-0.50 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -3.021 -0.799 10.723) 11.169 2.360 ( 3.021 -0.799 10.723) 11.169 2.525 ( -2.943 3.713 0.377) 4.753 2.525 ( 2.943 3.713 0.377) 4.753 2.655 ( -5.541 0.984 -2.057) 5.992 2.655 ( 5.541 0.984 -2.057) 5.992 2.748 ( -3.569 3.590 -8.040) 9.501 2.748 ( 3.569 3.590 -8.040) 9.501 3.371 ( -0.523 -9.174 0.804) 9.224 3.371 ( 0.523 -9.174 0.804) 9.224 3.590 ( -10.557 3.903 0.365) 11.261 3.590 ( 10.557 3.903 0.365) 11.261 3.981 ( -4.700 8.049 3.555) 9.976 3.981 ( 4.700 8.049 3.555) 9.976 4.225 ( -19.988 4.162 -2.738) 20.600 4.225 ( 19.988 4.162 -2.738) 20.600 4.409 ( -2.137 2.888 3.974) 5.357 4.409 ( 2.137 2.888 3.974) 5.357 5.121 ( -1.882 -1.223 7.011) 7.361 5.121 ( 1.882 -1.223 7.011) 7.361 5.526 ( -5.352 -5.305 -4.234) 8.644 5.526 ( 5.352 -5.305 -4.234) 8.644 5.772 ( -22.565 7.128 5.420) 24.277 5.772 ( 22.565 7.128 5.420) 24.277 6.323 ( -9.401 -4.274 -2.956) 10.742 6.323 ( 9.401 -4.274 -2.956) 10.742 6.466 ( -6.685 -6.106 3.633) 9.755 6.466 ( 6.685 -6.106 3.633) 9.755 6.669 ( -2.121 -3.425 2.685) 4.841 6.669 ( 2.121 -3.425 2.685) 4.841 7.916 ( -13.245 -5.728 12.399) 19.026 7.916 ( 13.245 -5.728 12.399) 19.026 8.250 ( -16.506 13.856 -2.092) 21.652 8.250 ( 16.506 13.856 -2.092) 21.652 8.824 ( -0.749 1.773 -17.253) 17.360 8.824 ( 0.749 1.773 -17.253) 17.360 9.764 ( -3.035 0.396 -5.061) 5.915 9.764 ( 3.035 0.396 -5.061) 5.915 11.325 ( -12.384 -1.665 3.258) 12.913 11.325 ( 12.384 -1.665 3.258) 12.913 11.421 ( -1.868 -2.376 4.269) 5.231 11.421 ( 1.868 -2.376 4.269) 5.231 11.837 ( -20.139 -5.925 -5.392) 21.674 11.837 ( 20.139 -5.925 -5.392) 21.674 12.706 ( -2.559 1.112 0.780) 2.897 12.706 ( 2.559 1.112 0.780) 2.897 18.207 ( -0.436 -0.264 -2.940) 2.983 18.207 ( 0.436 -0.264 -2.940) 2.983 19.878 ( -5.458 1.825 16.674) 17.639 19.878 ( 5.458 1.825 16.674) 17.639 20.361 ( -3.206 -3.304 -6.021) 7.579 20.361 ( 3.206 -3.304 -6.021) 7.579 20.565 ( -8.422 0.194 -7.261) 11.121 20.565 ( 8.422 0.194 -7.261) 11.121 ======================= Grid point 344 (70/75) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 4.561 4.561 9.366) 11.372 2.323 ( 3.714 3.714 10.379) 11.633 2.393 ( 5.080 5.080 2.756) 7.695 2.499 ( 6.290 6.290 -2.720) 9.302 2.515 ( 1.009 1.009 -4.834) 5.040 2.747 ( -0.245 -0.245 -4.073) 4.088 2.814 ( 8.037 8.037 -1.594) 11.477 2.930 ( 3.559 3.559 -5.322) 7.325 3.178 ( -2.908 -2.908 -2.656) 4.896 3.263 ( -5.545 -5.545 -0.811) 7.884 3.468 ( -6.940 -6.940 2.346) 10.092 3.594 ( 15.334 15.334 1.225) 21.720 4.019 ( 5.987 5.987 1.388) 8.580 4.180 ( -8.892 -8.892 3.678) 13.102 4.219 ( -3.503 -3.503 1.103) 5.075 4.337 ( 5.831 5.831 5.251) 9.777 4.499 ( 4.984 4.984 4.219) 8.215 4.814 ( 10.353 10.353 6.267) 15.926 4.902 ( -1.610 -1.610 0.563) 2.346 4.941 ( 3.683 3.683 -0.900) 5.286 5.204 ( -1.843 -1.843 1.127) 2.839 5.237 ( 2.542 2.542 3.931) 5.328 5.637 ( 4.397 4.397 -8.091) 10.205 5.779 ( 0.312 0.312 -2.996) 3.028 6.376 ( -0.844 -0.844 3.626) 3.817 6.405 ( 1.682 1.682 5.251) 5.765 6.428 ( -0.962 -0.962 3.479) 3.736 6.704 ( -6.191 -6.191 10.689) 13.817 6.722 ( -4.540 -4.540 4.763) 7.995 6.896 ( -15.844 -15.844 -6.938) 23.457 7.544 ( 6.611 6.611 13.948) 16.791 7.769 ( 10.689 10.689 -8.190) 17.192 8.183 ( -7.242 -7.242 -2.384) 10.515 8.573 ( 0.964 0.964 11.117) 11.200 8.784 ( 3.665 3.665 -12.764) 13.777 8.962 ( 4.797 4.797 -18.983) 20.159 9.663 ( 4.819 4.819 -3.155) 7.510 9.870 ( -3.301 -3.301 -5.694) 7.363 10.868 ( 8.952 8.952 -1.251) 12.721 11.049 ( 10.817 10.817 1.191) 15.344 11.455 ( -4.533 -4.533 4.671) 7.932 11.593 ( -7.081 -7.081 7.299) 12.392 11.716 ( -7.954 -7.954 -4.962) 12.294 12.368 ( -15.672 -15.672 -0.016) 22.164 12.653 ( 1.812 1.812 0.723) 2.662 12.836 ( -3.023 -3.023 -2.198) 4.807 18.195 ( -0.023 -0.023 -2.928) 2.928 18.210 ( -0.120 -0.120 -2.909) 2.914 19.746 ( 3.769 3.769 22.009) 22.645 20.108 ( -0.536 -0.536 -0.830) 1.125 20.149 ( -0.370 -0.370 13.795) 13.805 20.299 ( 0.447 0.447 -15.465) 15.478 20.564 ( -2.852 -2.852 -11.995) 12.655 20.861 ( -8.083 -8.083 -1.027) 11.477 ======================= Grid point 345 (71/75) ======================= q-point: ( 0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 4.368 -0.294 8.223) 9.316 2.367 ( 0.059 -0.408 10.856) 10.864 2.536 ( 8.093 6.705 1.039) 10.561 2.543 ( 4.221 4.778 -2.953) 7.025 2.636 ( 7.342 5.307 -2.341) 9.356 2.711 ( -3.132 2.974 -4.759) 6.427 2.893 ( -0.998 6.803 -1.015) 6.951 2.946 ( -3.517 8.417 -5.386) 10.594 3.169 ( 1.385 -6.716 -2.623) 7.342 3.202 ( -0.585 -8.636 -1.993) 8.883 3.417 ( 4.286 -6.425 1.503) 7.868 3.900 ( -3.820 4.879 3.694) 7.214 3.957 ( 4.946 4.936 3.171) 7.673 4.073 ( 1.652 5.087 -0.698) 5.394 4.150 ( -2.403 -2.632 -1.421) 3.837 4.454 ( 5.358 7.652 6.598) 11.437 4.569 ( 1.653 10.817 6.971) 12.975 4.681 ( -13.314 8.345 -1.125) 15.753 5.008 ( 6.545 -3.011 7.570) 10.450 5.129 ( 1.430 -1.842 4.360) 4.945 5.203 ( 7.565 -6.156 -7.036) 12.026 5.407 ( 13.651 6.096 16.650) 22.377 5.663 ( -0.653 3.202 -8.705) 9.298 5.887 ( 11.614 -6.980 -7.678) 15.574 6.257 ( -15.032 -2.735 14.519) 21.077 6.353 ( 0.350 -2.825 7.282) 7.819 6.441 ( 0.054 2.434 3.645) 4.384 6.573 ( -10.999 -2.914 2.491) 11.648 6.599 ( -5.579 -3.585 1.426) 6.784 6.681 ( -6.799 -4.177 -9.162) 12.150 7.508 ( 3.122 -16.226 8.580) 18.618 7.980 ( -13.366 -12.322 2.573) 18.360 8.229 ( 24.078 23.817 1.034) 33.883 8.603 ( 1.518 4.732 7.730) 9.190 8.848 ( 2.670 3.250 -16.538) 17.064 8.992 ( -2.206 11.278 -19.998) 23.065 9.731 ( 2.432 1.563 -4.505) 5.353 9.816 ( -2.266 -0.632 -5.448) 5.934 11.065 ( 11.318 2.195 -0.236) 11.531 11.297 ( 13.334 1.696 1.862) 13.570 11.373 ( -3.307 -3.865 4.683) 6.914 11.424 ( -8.178 -6.375 6.668) 12.328 11.582 ( -6.259 -6.628 -5.343) 10.566 12.035 ( -18.259 -13.108 -0.653) 22.486 12.690 ( 2.003 1.607 -0.814) 2.694 12.779 ( -2.749 0.016 -2.336) 3.607 18.196 ( 0.142 -0.153 -2.900) 2.908 18.206 ( -0.247 -0.368 -2.873) 2.907 19.829 ( 4.773 3.488 20.008) 20.863 20.030 ( -5.203 3.196 10.279) 11.956 20.209 ( 4.216 -4.957 8.217) 10.482 20.305 ( -0.106 -2.391 -8.571) 8.899 20.525 ( -0.596 0.183 -17.006) 17.017 20.697 ( -8.339 -4.313 -5.430) 10.845 ======================= Grid point 346 (72/75) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -3.049 -1.803 8.728) 9.419 2.332 ( 3.049 -1.803 8.728) 9.419 2.615 ( -3.842 5.098 -3.478) 7.270 2.615 ( 3.842 5.098 -3.478) 7.270 2.729 ( -2.990 6.641 3.801) 8.215 2.729 ( 2.990 6.641 3.801) 8.215 2.840 ( -1.917 5.927 -7.536) 9.777 2.840 ( 1.917 5.927 -7.536) 9.777 3.198 ( -0.826 -8.074 -2.086) 8.380 3.198 ( 0.826 -8.074 -2.086) 8.380 3.617 ( -14.392 -2.708 1.449) 14.717 3.617 ( 14.392 -2.708 1.449) 14.717 4.069 ( -2.120 0.565 2.599) 3.401 4.069 ( 2.120 0.565 2.599) 3.401 4.346 ( -16.838 9.314 -0.242) 19.244 4.346 ( 16.838 9.314 -0.242) 19.244 4.564 ( -2.117 12.215 4.672) 13.248 4.564 ( 2.117 12.215 4.672) 13.248 5.090 ( -2.974 -1.873 6.636) 7.510 5.090 ( 2.974 -1.873 6.636) 7.510 5.408 ( -10.045 -6.511 -3.510) 12.474 5.408 ( 10.045 -6.511 -3.510) 12.474 5.875 ( -17.584 -1.144 18.060) 25.232 5.875 ( 17.584 -1.144 18.060) 25.232 6.244 ( -17.827 3.019 -16.513) 24.487 6.244 ( 17.827 3.019 -16.513) 24.487 6.404 ( -3.266 -2.388 8.406) 9.329 6.404 ( 3.266 -2.388 8.406) 9.329 6.585 ( -3.104 -4.105 1.707) 5.422 6.585 ( 3.104 -4.105 1.707) 5.422 7.700 ( -14.257 -15.463 5.232) 21.674 7.700 ( 14.257 -15.463 5.232) 21.674 8.561 ( -8.714 13.857 8.744) 18.558 8.561 ( 8.714 13.857 8.744) 18.558 8.907 ( -4.497 8.408 -22.754) 24.671 8.907 ( 4.497 8.408 -22.754) 24.671 9.774 ( -2.229 0.623 -5.248) 5.735 9.774 ( 2.229 0.623 -5.248) 5.735 11.278 ( -9.055 -3.031 4.394) 10.511 11.278 ( 9.055 -3.031 4.394) 10.511 11.363 ( -2.795 -3.403 1.538) 4.664 11.363 ( 2.795 -3.403 1.538) 4.664 11.689 ( -16.499 -8.729 -2.516) 18.835 11.689 ( 16.499 -8.729 -2.516) 18.835 12.731 ( -2.248 1.360 -1.785) 3.177 12.731 ( 2.248 1.360 -1.785) 3.177 18.200 ( -0.302 -0.325 -2.876) 2.910 18.200 ( 0.302 -0.325 -2.876) 2.910 19.927 ( -5.306 3.259 16.364) 17.509 19.927 ( 5.306 3.259 16.364) 17.509 20.281 ( -2.657 -4.783 1.260) 5.615 20.281 ( 2.657 -4.783 1.260) 5.615 20.563 ( -4.815 -0.316 -13.695) 14.521 20.563 ( 4.815 -0.316 -13.695) 14.521 ======================= Grid point 354 (73/75) ======================= q-point: ( 0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 1.156 1.156 7.160) 7.345 2.342 ( -1.992 -1.992 8.786) 9.227 2.625 ( 4.722 4.722 -5.515) 8.661 2.726 ( 11.045 11.045 5.254) 16.480 2.743 ( 5.860 5.860 -4.444) 9.404 2.755 ( 0.561 0.561 -2.166) 2.307 2.996 ( 2.398 2.398 0.098) 3.393 3.038 ( -5.567 -5.567 -5.047) 9.352 3.081 ( -0.930 -0.930 -2.579) 2.895 3.140 ( 4.187 4.187 -5.362) 7.988 3.297 ( -1.595 -1.595 2.749) 3.556 3.755 ( -12.515 -12.515 2.114) 17.825 4.048 ( -0.974 -0.974 1.800) 2.267 4.075 ( -3.396 -3.396 0.035) 4.803 4.287 ( 16.095 16.095 -0.124) 22.762 4.610 ( 6.523 6.523 12.064) 15.187 4.749 ( 6.214 6.214 7.427) 11.506 4.874 ( 1.248 1.248 -6.050) 6.302 4.923 ( 3.020 3.020 9.941) 10.820 5.108 ( 1.161 1.161 -6.878) 7.071 5.123 ( -2.355 -2.355 1.760) 3.767 5.536 ( 5.971 5.971 24.335) 25.758 5.548 ( -10.592 -10.592 -5.630) 16.003 5.944 ( -1.457 -1.457 12.483) 12.652 6.140 ( 5.616 5.616 -12.641) 14.929 6.309 ( -1.200 -1.200 9.428) 9.580 6.434 ( -6.879 -6.879 12.685) 15.986 6.491 ( 2.000 2.000 3.342) 4.379 6.579 ( -2.442 -2.442 3.495) 4.913 6.760 ( 3.347 3.347 -20.726) 21.260 7.197 ( -9.448 -9.448 7.054) 15.110 7.691 ( -17.105 -17.105 0.607) 24.198 8.617 ( 12.614 12.614 9.574) 20.245 8.670 ( 2.762 2.762 3.141) 5.013 8.949 ( 8.877 8.877 -22.255) 25.552 9.170 ( 5.098 5.098 -15.121) 16.752 9.756 ( 1.272 1.272 -5.182) 5.485 9.807 ( -0.623 -0.623 -5.160) 5.235 11.121 ( 3.938 3.938 -0.411) 5.584 11.302 ( -2.757 -2.757 4.776) 6.165 11.308 ( -4.995 -4.995 6.223) 9.414 11.372 ( 5.542 5.542 1.032) 7.905 11.432 ( -8.088 -8.088 -4.189) 12.182 11.772 ( -13.423 -13.423 0.006) 18.983 12.723 ( 1.717 1.717 -2.802) 3.708 12.773 ( -0.646 -0.646 -3.390) 3.511 18.194 ( -0.028 -0.028 -2.834) 2.834 18.200 ( -0.288 -0.288 -2.832) 2.861 19.907 ( 4.465 4.465 18.609) 19.651 20.096 ( -0.071 -0.071 -0.998) 1.003 20.111 ( -1.355 -1.355 23.867) 23.943 20.254 ( -3.084 -3.084 -1.305) 4.553 20.531 ( 0.580 0.580 -19.578) 19.595 20.614 ( -3.916 -3.916 -12.114) 13.320 ======================= Grid point 355 (74/75) ======================= q-point: (-0.50 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -2.010 -1.198 7.393) 7.755 2.302 ( 2.010 -1.198 7.393) 7.755 2.711 ( -3.882 4.714 -3.763) 7.173 2.711 ( 3.882 4.714 -3.763) 7.173 2.863 ( -4.967 4.810 -0.542) 6.935 2.863 ( 4.967 4.810 -0.542) 6.935 2.970 ( -7.952 6.157 0.404) 10.065 2.970 ( 7.952 6.157 0.404) 10.065 3.093 ( -2.391 -0.297 -4.842) 5.408 3.093 ( 2.391 -0.297 -4.842) 5.408 3.485 ( -14.341 -10.132 1.471) 17.620 3.485 ( 14.341 -10.132 1.471) 17.620 4.034 ( -0.533 -2.785 0.118) 2.838 4.034 ( 0.533 -2.785 0.118) 2.838 4.573 ( -11.505 11.963 7.545) 18.232 4.573 ( 11.505 11.963 7.545) 18.232 4.804 ( -1.404 11.667 1.315) 11.825 4.804 ( 1.404 11.667 1.315) 11.825 5.053 ( -4.160 -1.947 5.044) 6.822 5.053 ( 4.160 -1.947 5.044) 6.822 5.280 ( -13.748 -6.974 -5.601) 16.402 5.280 ( 13.748 -6.974 -5.601) 16.402 5.734 ( -12.220 -8.813 20.351) 25.321 5.734 ( 12.220 -8.813 20.351) 25.321 6.326 ( -3.368 -3.939 11.848) 12.932 6.326 ( 3.368 -3.939 11.848) 12.932 6.492 ( -17.713 16.114 -10.981) 26.344 6.492 ( 17.713 16.114 -10.981) 26.344 6.546 ( -5.603 1.683 -1.922) 6.158 6.546 ( 5.603 1.683 -1.922) 6.158 7.347 ( -17.277 -20.511 0.337) 26.821 7.347 ( 17.277 -20.511 0.337) 26.821 8.706 ( -0.342 2.906 4.090) 5.029 8.706 ( 0.342 2.906 4.090) 5.029 9.145 ( -7.616 12.785 -15.960) 21.821 9.145 ( 7.616 12.785 -15.960) 21.821 9.785 ( -1.581 0.456 -5.206) 5.460 9.785 ( 1.581 0.456 -5.206) 5.460 11.220 ( -5.368 -2.560 2.849) 6.595 11.220 ( 5.368 -2.560 2.849) 6.595 11.293 ( -3.106 -3.596 0.559) 4.785 11.293 ( 3.106 -3.596 0.559) 4.785 11.538 ( -10.480 -5.919 0.180) 12.037 11.538 ( 10.480 -5.919 0.180) 12.037 12.753 ( -1.352 0.865 -3.579) 3.923 12.753 ( 1.352 0.865 -3.579) 3.923 18.195 ( -0.159 -0.195 -2.812) 2.824 18.195 ( 0.159 -0.195 -2.812) 2.824 20.000 ( -5.158 4.190 15.783) 17.125 20.000 ( 5.158 4.190 15.783) 17.125 20.184 ( -4.053 -5.066 6.760) 9.370 20.184 ( 4.053 -5.066 6.760) 9.370 20.555 ( -2.125 -0.442 -18.113) 18.242 20.555 ( 2.125 -0.442 -18.113) 18.242 ======================= Grid point 368 (75/75) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.09e-04 3.09e-04 6.24e-05 6.24e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -0.000 -0.000 7.046) 7.046 2.290 ( 0.000 0.000 7.046) 7.046 2.771 ( 0.000 0.000 -1.246) 1.246 2.771 ( 0.000 0.000 -1.246) 1.246 2.883 ( -0.000 -0.000 -9.928) 9.928 2.883 ( 0.000 0.000 -9.928) 9.928 3.010 ( 0.000 0.000 5.531) 5.531 3.010 ( 0.000 0.000 5.531) 5.531 3.233 ( 0.000 0.000 -4.645) 4.645 3.233 ( 0.000 0.000 -4.645) 4.645 3.279 ( -0.000 -0.000 3.094) 3.094 3.279 ( 0.000 0.000 3.094) 3.094 4.001 ( 0.000 0.000 -0.350) 0.350 4.001 ( 0.000 0.000 -0.350) 0.350 4.708 ( -0.000 -0.000 14.582) 14.582 4.708 ( 0.000 0.000 14.581) 14.581 4.983 ( -0.000 -0.000 -9.168) 9.168 4.983 ( -0.000 -0.000 -9.168) 9.168 5.005 ( 0.000 0.000 7.069) 7.069 5.005 ( 0.000 0.000 7.069) 7.069 5.171 ( 0.000 0.000 -5.966) 5.966 5.171 ( 0.000 0.000 -5.966) 5.966 5.639 ( 0.000 0.000 21.686) 21.686 5.639 ( 0.000 0.000 21.686) 21.686 6.280 ( 0.000 0.000 12.715) 12.715 6.280 ( 0.000 0.000 12.715) 12.715 6.535 ( 0.000 0.000 3.226) 3.226 6.535 ( 0.000 0.000 3.226) 3.226 6.838 ( -0.000 -0.000 -19.647) 19.647 6.838 ( 0.000 0.000 -19.647) 19.647 6.994 ( 0.000 0.000 4.480) 4.480 6.994 ( 0.000 0.000 4.480) 4.480 8.730 ( 0.000 0.000 0.978) 0.978 8.730 ( 0.000 0.000 0.978) 0.978 9.283 ( 0.000 0.000 -12.166) 12.166 9.283 ( 0.000 0.000 -12.166) 12.166 9.790 ( 0.000 0.000 -4.993) 4.993 9.790 ( 0.000 0.000 -4.993) 4.993 11.194 ( -0.000 -0.000 -1.179) 1.179 11.194 ( 0.000 0.000 -1.179) 1.179 11.250 ( 0.000 0.000 3.357) 3.357 11.250 ( 0.000 0.000 3.357) 3.357 11.481 ( 0.000 0.000 1.118) 1.118 11.481 ( 0.000 0.000 1.118) 1.118 12.762 ( 0.000 0.000 -4.167) 4.167 12.762 ( 0.000 0.000 -4.167) 4.167 18.193 ( 0.000 0.000 -2.786) 2.786 18.193 ( 0.000 0.000 -2.786) 2.786 20.079 ( 0.000 0.000 25.340) 25.340 20.079 ( 0.000 0.000 25.340) 25.340 20.096 ( -0.000 -0.000 -1.033) 1.033 20.096 ( -0.000 -0.000 -1.033) 1.033 20.550 ( 0.000 0.000 -19.680) 19.680 20.550 ( 0.000 0.000 -19.680) 19.680 =================== 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 3/31104 10.0 2895.209 2895.209 2865.641 0.000 0.000 0.000 3/31104 20.0 393.920 393.920 385.388 -0.000 0.000 0.000 3/31104 30.0 105.946 105.946 120.292 -0.000 0.000 0.000 3/31104 40.0 47.828 47.828 58.495 -0.000 0.000 0.000 3/31104 50.0 28.281 28.281 35.806 -0.000 0.000 0.000 3/31104 60.0 19.469 19.469 25.064 -0.000 0.000 0.000 3/31104 70.0 14.697 14.697 19.091 -0.000 0.000 0.000 3/31104 80.0 11.776 11.776 15.381 -0.000 0.000 0.000 3/31104 90.0 9.828 9.828 12.887 -0.000 0.000 0.000 3/31104 100.0 8.445 8.445 11.110 -0.000 0.000 0.000 3/31104 110.0 7.415 7.415 9.785 -0.000 0.000 0.000 3/31104 120.0 6.620 6.620 8.762 -0.000 0.000 0.000 3/31104 130.0 5.988 5.988 7.951 -0.000 0.000 0.000 3/31104 140.0 5.473 5.473 7.293 -0.000 0.000 0.000 3/31104 150.0 5.045 5.045 6.748 -0.000 0.000 0.000 3/31104 160.0 4.683 4.683 6.290 -0.000 0.000 0.000 3/31104 170.0 4.373 4.373 5.899 -0.000 0.000 0.000 3/31104 180.0 4.104 4.104 5.562 -0.000 0.000 0.000 3/31104 190.0 3.869 3.869 5.268 -0.000 0.000 0.000 3/31104 200.0 3.660 3.660 5.008 -0.000 0.000 0.000 3/31104 210.0 3.474 3.474 4.777 -0.000 0.000 0.000 3/31104 220.0 3.308 3.308 4.570 -0.000 0.000 0.000 3/31104 230.0 3.157 3.157 4.382 -0.000 0.000 0.000 3/31104 240.0 3.020 3.020 4.212 -0.000 0.000 0.000 3/31104 250.0 2.895 2.895 4.056 -0.000 0.000 0.000 3/31104 260.0 2.780 2.780 3.913 -0.000 0.000 0.000 3/31104 270.0 2.675 2.675 3.781 -0.000 0.000 0.000 3/31104 280.0 2.577 2.577 3.658 -0.000 0.000 0.000 3/31104 290.0 2.487 2.487 3.544 -0.000 0.000 0.000 3/31104 300.0 2.402 2.402 3.437 -0.000 0.000 0.000 3/31104 310.0 2.324 2.324 3.337 -0.000 0.000 0.000 3/31104 320.0 2.251 2.251 3.243 -0.000 0.000 0.000 3/31104 330.0 2.182 2.182 3.155 -0.000 0.000 0.000 3/31104 340.0 2.117 2.117 3.071 -0.000 0.000 0.000 3/31104 350.0 2.056 2.056 2.992 -0.000 0.000 0.000 3/31104 360.0 1.999 1.999 2.917 -0.000 0.000 0.000 3/31104 370.0 1.945 1.945 2.846 -0.000 0.000 0.000 3/31104 380.0 1.894 1.894 2.778 -0.000 0.000 0.000 3/31104 390.0 1.845 1.845 2.713 -0.000 0.000 0.000 3/31104 400.0 1.799 1.799 2.652 -0.000 0.000 0.000 3/31104 410.0 1.755 1.755 2.593 -0.000 0.000 0.000 3/31104 420.0 1.713 1.713 2.537 -0.000 0.000 0.000 3/31104 430.0 1.674 1.674 2.483 -0.000 0.000 0.000 3/31104 440.0 1.636 1.636 2.431 -0.000 0.000 0.000 3/31104 450.0 1.599 1.599 2.381 -0.000 0.000 0.000 3/31104 460.0 1.565 1.565 2.334 -0.000 0.000 0.000 3/31104 470.0 1.532 1.532 2.288 -0.000 0.000 0.000 3/31104 480.0 1.500 1.500 2.244 -0.000 0.000 0.000 3/31104 490.0 1.469 1.469 2.202 -0.000 0.000 0.000 3/31104 500.0 1.440 1.440 2.161 -0.000 0.000 0.000 3/31104 510.0 1.412 1.412 2.122 -0.000 0.000 0.000 3/31104 520.0 1.385 1.385 2.084 -0.000 0.000 0.000 3/31104 530.0 1.359 1.359 2.047 -0.000 0.000 0.000 3/31104 540.0 1.334 1.334 2.012 -0.000 0.000 0.000 3/31104 550.0 1.310 1.310 1.978 -0.000 0.000 0.000 3/31104 560.0 1.286 1.286 1.945 -0.000 0.000 0.000 3/31104 570.0 1.264 1.264 1.913 -0.000 0.000 0.000 3/31104 580.0 1.242 1.242 1.882 -0.000 0.000 0.000 3/31104 590.0 1.221 1.221 1.852 -0.000 0.000 0.000 3/31104 600.0 1.201 1.201 1.823 -0.000 0.000 0.000 3/31104 610.0 1.181 1.181 1.795 -0.000 0.000 0.000 3/31104 620.0 1.162 1.162 1.767 -0.000 0.000 0.000 3/31104 630.0 1.144 1.144 1.741 -0.000 0.000 0.000 3/31104 640.0 1.126 1.126 1.715 -0.000 0.000 0.000 3/31104 650.0 1.109 1.109 1.690 -0.000 0.000 0.000 3/31104 660.0 1.092 1.092 1.666 -0.000 0.000 0.000 3/31104 670.0 1.076 1.076 1.642 -0.000 0.000 0.000 3/31104 680.0 1.060 1.060 1.619 -0.000 0.000 0.000 3/31104 690.0 1.045 1.045 1.597 -0.000 0.000 0.000 3/31104 700.0 1.030 1.030 1.575 -0.000 0.000 0.000 3/31104 710.0 1.016 1.016 1.554 -0.000 0.000 0.000 3/31104 720.0 1.002 1.002 1.533 -0.000 0.000 0.000 3/31104 730.0 0.988 0.988 1.513 -0.000 0.000 0.000 3/31104 740.0 0.975 0.975 1.494 -0.000 0.000 0.000 3/31104 750.0 0.962 0.962 1.474 -0.000 0.000 0.000 3/31104 760.0 0.949 0.949 1.456 -0.000 0.000 0.000 3/31104 770.0 0.937 0.937 1.438 -0.000 0.000 0.000 3/31104 780.0 0.925 0.925 1.420 -0.000 0.000 0.000 3/31104 790.0 0.913 0.913 1.403 -0.000 0.000 0.000 3/31104 800.0 0.902 0.902 1.386 -0.000 0.000 0.000 3/31104 810.0 0.891 0.891 1.369 -0.000 0.000 0.000 3/31104 820.0 0.880 0.880 1.353 -0.000 0.000 0.000 3/31104 830.0 0.869 0.869 1.338 -0.000 0.000 0.000 3/31104 840.0 0.859 0.859 1.322 -0.000 0.000 0.000 3/31104 850.0 0.849 0.849 1.307 -0.000 0.000 0.000 3/31104 860.0 0.839 0.839 1.292 -0.000 0.000 0.000 3/31104 870.0 0.829 0.829 1.278 -0.000 0.000 0.000 3/31104 880.0 0.820 0.820 1.264 -0.000 0.000 0.000 3/31104 890.0 0.811 0.811 1.250 -0.000 0.000 0.000 3/31104 900.0 0.802 0.802 1.237 -0.000 0.000 0.000 3/31104 910.0 0.793 0.793 1.224 -0.000 0.000 0.000 3/31104 920.0 0.785 0.785 1.211 -0.000 0.000 0.000 3/31104 930.0 0.776 0.776 1.198 -0.000 0.000 0.000 3/31104 940.0 0.768 0.768 1.186 -0.000 0.000 0.000 3/31104 950.0 0.760 0.760 1.174 -0.000 0.000 0.000 3/31104 960.0 0.752 0.752 1.162 -0.000 0.000 0.000 3/31104 970.0 0.744 0.744 1.150 -0.000 0.000 0.000 3/31104 980.0 0.737 0.737 1.139 -0.000 0.000 0.000 3/31104 990.0 0.729 0.729 1.127 -0.000 0.000 0.000 3/31104 1000.0 0.722 0.722 1.116 -0.000 0.000 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:31:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|