# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/b79ee43a-c29b-4548-8ead-3192ae03a95e/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for CsNdHgSe3 / Cmcm (63) / materials id 510065](https://mdr.nims.go.jp/datasets/69918751-3f94-4cfa-a318-248531bbbe26) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 09:48:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 2.156031860000000 -7.901194590000000 0.000000000000000 b 2.156031860000000 7.901194590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.152772660000000Atomic positions (fractional): *1 Hg 0.54091956537468 0.45908043462532 0.75000000000000 200.590 2 Hg 0.45908043462532 0.54091956537468 0.25000000000000 200.590 *3 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 4 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 *5 Cs 0.25388204625933 0.74611795374067 0.75000000000000 132.905 6 Cs 0.74611795374067 0.25388204625933 0.25000000000000 132.905 *7 Se 0.62445232502048 0.37554767497952 0.95179875789571 78.960 8 Se 0.37554767497952 0.62445232502048 0.04820124210429 78.960 9 Se 0.37554767497952 0.62445232502048 0.45179875789571 78.960 10 Se 0.62445232502048 0.37554767497952 0.54820124210429 78.960 *11 Se 0.93441695817046 0.06558304182954 0.75000000000000 78.960 12 Se 0.06558304182954 0.93441695817046 0.25000000000000 78.960-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.312063719999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.802389180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.152772660000000Atomic positions (fractional): *1 Hg 0.00000000000000 0.45908043462532 0.75000000000000 200.590 > 1 2 Hg 0.50000000000000 0.04091956537468 0.25000000000000 200.590 > 2 3 Hg 0.50000000000000 0.95908043462532 0.75000000000000 200.590 > 1 4 Hg 0.00000000000000 0.54091956537468 0.25000000000000 200.590 > 2 *5 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 3 6 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 4 7 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 > 3 8 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 > 4 *9 Cs 0.50000000000000 0.24611795374067 0.75000000000000 132.905 > 5 10 Cs 0.00000000000000 0.25388204625933 0.25000000000000 132.905 > 6 11 Cs 0.00000000000000 0.74611795374067 0.75000000000000 132.905 > 5 12 Cs 0.50000000000000 0.75388204625933 0.25000000000000 132.905 > 6 *13 Se 0.00000000000000 0.37554767497952 0.95179875789571 78.960 > 7 14 Se 0.50000000000000 0.12445232502048 0.04820124210429 78.960 > 8 15 Se 0.50000000000000 0.12445232502048 0.45179875789571 78.960 > 9 16 Se 0.00000000000000 0.37554767497952 0.54820124210429 78.960 > 10 *17 Se 0.00000000000000 0.06558304182954 0.75000000000000 78.960 > 11 18 Se 0.50000000000000 0.43441695817046 0.25000000000000 78.960 > 12 19 Se 0.50000000000000 0.87554767497952 0.95179875789571 78.960 > 7 20 Se 0.00000000000000 0.62445232502048 0.04820124210429 78.960 > 8 21 Se 0.00000000000000 0.62445232502048 0.45179875789571 78.960 > 9 22 Se 0.50000000000000 0.87554767497952 0.54820124210429 78.960 > 10 23 Se 0.50000000000000 0.56558304182954 0.75000000000000 78.960 > 11 24 Se 0.00000000000000 0.93441695817046 0.25000000000000 78.960 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 12.936191159999998 0.000000000000000 0.000000000000000 b 0.000000000000000 15.802389180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.305545320000000Atomic positions (fractional): *1 Hg 0.00000000000000 0.45908043462532 0.37500000000000 200.590 > 1 2 Hg 0.33333333333333 0.45908043462532 0.37500000000000 200.590 > 1 3 Hg 0.66666666666667 0.45908043462532 0.37500000000000 200.590 > 1 4 Hg 0.00000000000000 0.45908043462532 0.87500000000000 200.590 > 1 5 Hg 0.33333333333333 0.45908043462532 0.87500000000000 200.590 > 1 6 Hg 0.66666666666667 0.45908043462532 0.87500000000000 200.590 > 1 7 Hg 0.16666666666667 0.04091956537468 0.12500000000000 200.590 > 2 8 Hg 0.50000000000000 0.04091956537468 0.12500000000000 200.590 > 2 9 Hg 0.83333333333333 0.04091956537468 0.12500000000000 200.590 > 2 10 Hg 0.16666666666667 0.04091956537468 0.62500000000000 200.590 > 2 11 Hg 0.50000000000000 0.04091956537468 0.62500000000000 200.590 > 2 12 Hg 0.83333333333333 0.04091956537468 0.62500000000000 200.590 > 2 13 Hg 0.16666666666667 0.95908043462532 0.37500000000000 200.590 > 1 14 Hg 0.50000000000000 0.95908043462532 0.37500000000000 200.590 > 1 15 Hg 0.83333333333333 0.95908043462532 0.37500000000000 200.590 > 1 16 Hg 0.16666666666667 0.95908043462532 0.87500000000000 200.590 > 1 17 Hg 0.50000000000000 0.95908043462532 0.87500000000000 200.590 > 1 18 Hg 0.83333333333333 0.95908043462532 0.87500000000000 200.590 > 1 19 Hg 0.00000000000000 0.54091956537468 0.12500000000000 200.590 > 2 20 Hg 0.33333333333333 0.54091956537468 0.12500000000000 200.590 > 2 21 Hg 0.66666666666667 0.54091956537468 0.12500000000000 200.590 > 2 22 Hg 0.00000000000000 0.54091956537468 0.62500000000000 200.590 > 2 23 Hg 0.33333333333333 0.54091956537468 0.62500000000000 200.590 > 2 24 Hg 0.66666666666667 0.54091956537468 0.62500000000000 200.590 > 2 *25 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 3 26 Nd 0.33333333333333 0.00000000000000 0.00000000000000 144.242 > 3 27 Nd 0.66666666666667 0.00000000000000 0.00000000000000 144.242 > 3 28 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 3 29 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 3 30 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 3 31 Nd 0.00000000000000 0.00000000000000 0.25000000000000 144.242 > 4 32 Nd 0.33333333333333 0.00000000000000 0.25000000000000 144.242 > 4 33 Nd 0.66666666666667 0.00000000000000 0.25000000000000 144.242 > 4 34 Nd 0.00000000000000 0.00000000000000 0.75000000000000 144.242 > 4 35 Nd 0.33333333333333 0.00000000000000 0.75000000000000 144.242 > 4 36 Nd 0.66666666666667 0.00000000000000 0.75000000000000 144.242 > 4 37 Nd 0.16666666666667 0.50000000000000 0.00000000000000 144.242 > 3 38 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 > 3 39 Nd 0.83333333333333 0.50000000000000 0.00000000000000 144.242 > 3 40 Nd 0.16666666666667 0.50000000000000 0.50000000000000 144.242 > 3 41 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 > 3 42 Nd 0.83333333333333 0.50000000000000 0.50000000000000 144.242 > 3 43 Nd 0.16666666666667 0.50000000000000 0.25000000000000 144.242 > 4 44 Nd 0.50000000000000 0.50000000000000 0.25000000000000 144.242 > 4 45 Nd 0.83333333333333 0.50000000000000 0.25000000000000 144.242 > 4 46 Nd 0.16666666666667 0.50000000000000 0.75000000000000 144.242 > 4 47 Nd 0.50000000000000 0.50000000000000 0.75000000000000 144.242 > 4 48 Nd 0.83333333333333 0.50000000000000 0.75000000000000 144.242 > 4 *49 Cs 0.16666666666667 0.24611795374067 0.37500000000000 132.905 > 5 50 Cs 0.50000000000000 0.24611795374067 0.37500000000000 132.905 > 5 51 Cs 0.83333333333333 0.24611795374067 0.37500000000000 132.905 > 5 52 Cs 0.16666666666667 0.24611795374067 0.87500000000000 132.905 > 5 53 Cs 0.50000000000000 0.24611795374067 0.87500000000000 132.905 > 5 54 Cs 0.83333333333333 0.24611795374067 0.87500000000000 132.905 > 5 55 Cs 0.00000000000000 0.25388204625933 0.12500000000000 132.905 > 6 56 Cs 0.33333333333333 0.25388204625933 0.12500000000000 132.905 > 6 57 Cs 0.66666666666667 0.25388204625933 0.12500000000000 132.905 > 6 58 Cs 0.00000000000000 0.25388204625933 0.62500000000000 132.905 > 6 59 Cs 0.33333333333333 0.25388204625933 0.62500000000000 132.905 > 6 60 Cs 0.66666666666667 0.25388204625933 0.62500000000000 132.905 > 6 61 Cs 0.00000000000000 0.74611795374067 0.37500000000000 132.905 > 5 62 Cs 0.33333333333333 0.74611795374067 0.37500000000000 132.905 > 5 63 Cs 0.66666666666667 0.74611795374067 0.37500000000000 132.905 > 5 64 Cs 0.00000000000000 0.74611795374067 0.87500000000000 132.905 > 5 65 Cs 0.33333333333333 0.74611795374067 0.87500000000000 132.905 > 5 66 Cs 0.66666666666667 0.74611795374067 0.87500000000000 132.905 > 5 67 Cs 0.16666666666667 0.75388204625933 0.12500000000000 132.905 > 6 68 Cs 0.50000000000000 0.75388204625933 0.12500000000000 132.905 > 6 69 Cs 0.83333333333333 0.75388204625933 0.12500000000000 132.905 > 6 70 Cs 0.16666666666667 0.75388204625933 0.62500000000000 132.905 > 6 71 Cs 0.50000000000000 0.75388204625933 0.62500000000000 132.905 > 6 72 Cs 0.83333333333333 0.75388204625933 0.62500000000000 132.905 > 6 *73 Se 0.00000000000000 0.37554767497952 0.47589937894785 78.960 > 7 74 Se 0.33333333333333 0.37554767497952 0.47589937894785 78.960 > 7 75 Se 0.66666666666667 0.37554767497952 0.47589937894785 78.960 > 7 76 Se 0.00000000000000 0.37554767497952 0.97589937894785 78.960 > 7 77 Se 0.33333333333333 0.37554767497952 0.97589937894785 78.960 > 7 78 Se 0.66666666666667 0.37554767497952 0.97589937894785 78.960 > 7 79 Se 0.16666666666667 0.12445232502048 0.02410062105215 78.960 > 8 80 Se 0.50000000000000 0.12445232502048 0.02410062105215 78.960 > 8 81 Se 0.83333333333333 0.12445232502048 0.02410062105215 78.960 > 8 82 Se 0.16666666666667 0.12445232502048 0.52410062105215 78.960 > 8 83 Se 0.50000000000000 0.12445232502048 0.52410062105215 78.960 > 8 84 Se 0.83333333333333 0.12445232502048 0.52410062105215 78.960 > 8 85 Se 0.16666666666667 0.12445232502048 0.22589937894785 78.960 > 9 86 Se 0.50000000000000 0.12445232502048 0.22589937894785 78.960 > 9 87 Se 0.83333333333333 0.12445232502048 0.22589937894785 78.960 > 9 88 Se 0.16666666666667 0.12445232502048 0.72589937894785 78.960 > 9 89 Se 0.50000000000000 0.12445232502048 0.72589937894785 78.960 > 9 90 Se 0.83333333333333 0.12445232502048 0.72589937894785 78.960 > 9 91 Se 0.00000000000000 0.37554767497952 0.27410062105215 78.960 > 10 92 Se 0.33333333333333 0.37554767497952 0.27410062105215 78.960 > 10 93 Se 0.66666666666667 0.37554767497952 0.27410062105215 78.960 > 10 94 Se 0.00000000000000 0.37554767497952 0.77410062105215 78.960 > 10 95 Se 0.33333333333333 0.37554767497952 0.77410062105215 78.960 > 10 96 Se 0.66666666666667 0.37554767497952 0.77410062105215 78.960 > 10 *97 Se 0.00000000000000 0.06558304182954 0.37500000000000 78.960 > 11 98 Se 0.33333333333333 0.06558304182954 0.37500000000000 78.960 > 11 99 Se 0.66666666666667 0.06558304182954 0.37500000000000 78.960 > 11 100 Se 0.00000000000000 0.06558304182954 0.87500000000000 78.960 > 11 101 Se 0.33333333333333 0.06558304182954 0.87500000000000 78.960 > 11 102 Se 0.66666666666667 0.06558304182954 0.87500000000000 78.960 > 11 103 Se 0.16666666666667 0.43441695817046 0.12500000000000 78.960 > 12 104 Se 0.50000000000000 0.43441695817046 0.12500000000000 78.960 > 12 105 Se 0.83333333333333 0.43441695817046 0.12500000000000 78.960 > 12 106 Se 0.16666666666667 0.43441695817046 0.62500000000000 78.960 > 12 107 Se 0.50000000000000 0.43441695817046 0.62500000000000 78.960 > 12 108 Se 0.83333333333333 0.43441695817046 0.62500000000000 78.960 > 12 109 Se 0.16666666666667 0.87554767497952 0.47589937894785 78.960 > 7 110 Se 0.50000000000000 0.87554767497952 0.47589937894785 78.960 > 7 111 Se 0.83333333333333 0.87554767497952 0.47589937894785 78.960 > 7 112 Se 0.16666666666667 0.87554767497952 0.97589937894785 78.960 > 7 113 Se 0.50000000000000 0.87554767497952 0.97589937894785 78.960 > 7 114 Se 0.83333333333333 0.87554767497952 0.97589937894785 78.960 > 7 115 Se 0.00000000000000 0.62445232502048 0.02410062105215 78.960 > 8 116 Se 0.33333333333333 0.62445232502048 0.02410062105215 78.960 > 8 117 Se 0.66666666666667 0.62445232502048 0.02410062105215 78.960 > 8 118 Se 0.00000000000000 0.62445232502048 0.52410062105215 78.960 > 8 119 Se 0.33333333333333 0.62445232502048 0.52410062105215 78.960 > 8 120 Se 0.66666666666667 0.62445232502048 0.52410062105215 78.960 > 8 121 Se 0.00000000000000 0.62445232502048 0.22589937894785 78.960 > 9 122 Se 0.33333333333333 0.62445232502048 0.22589937894785 78.960 > 9 123 Se 0.66666666666667 0.62445232502048 0.22589937894785 78.960 > 9 124 Se 0.00000000000000 0.62445232502048 0.72589937894785 78.960 > 9 125 Se 0.33333333333333 0.62445232502048 0.72589937894785 78.960 > 9 126 Se 0.66666666666667 0.62445232502048 0.72589937894785 78.960 > 9 127 Se 0.16666666666667 0.87554767497952 0.27410062105215 78.960 > 10 128 Se 0.50000000000000 0.87554767497952 0.27410062105215 78.960 > 10 129 Se 0.83333333333333 0.87554767497952 0.27410062105215 78.960 > 10 130 Se 0.16666666666667 0.87554767497952 0.77410062105215 78.960 > 10 131 Se 0.50000000000000 0.87554767497952 0.77410062105215 78.960 > 10 132 Se 0.83333333333333 0.87554767497952 0.77410062105215 78.960 > 10 133 Se 0.16666666666667 0.56558304182954 0.37500000000000 78.960 > 11 134 Se 0.50000000000000 0.56558304182954 0.37500000000000 78.960 > 11 135 Se 0.83333333333333 0.56558304182954 0.37500000000000 78.960 > 11 136 Se 0.16666666666667 0.56558304182954 0.87500000000000 78.960 > 11 137 Se 0.50000000000000 0.56558304182954 0.87500000000000 78.960 > 11 138 Se 0.83333333333333 0.56558304182954 0.87500000000000 78.960 > 11 139 Se 0.00000000000000 0.93441695817046 0.12500000000000 78.960 > 12 140 Se 0.33333333333333 0.93441695817046 0.12500000000000 78.960 > 12 141 Se 0.66666666666667 0.93441695817046 0.12500000000000 78.960 > 12 142 Se 0.00000000000000 0.93441695817046 0.62500000000000 78.960 > 12 143 Se 0.33333333333333 0.93441695817046 0.62500000000000 78.960 > 12 144 Se 0.66666666666667 0.93441695817046 0.62500000000000 78.960 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.9579776 0.0000000 0.0000000 0.0000000 4.9589924 0.0000000 0.0000000 0.0000000 7.9045409-------------------------- Born effective charges -------------------------- 1 Hg 2.2447199 0.0000000 0.0000000 0.0000000 0.9508820 0.0000000 0.0000000 0.0000000 2.0064467 2 Hg 2.2447199 0.0000000 0.0000000 0.0000000 0.9508820 0.0000000 0.0000000 0.0000000 2.0064467 3 Nd 5.0189379 0.0000000 0.0000000 0.0000000 1.6235120 0.4494309 0.0000000 0.7365347 4.9964964 4 Nd 5.0189379 0.0000000 0.0000000 0.0000000 1.6235120 -0.4494309 0.0000000 -0.7365347 4.9964964 5 Cs 1.1981847 0.0000000 0.0000000 0.0000000 1.9676506 0.0000000 0.0000000 0.0000000 1.3587964 6 Cs 1.1981847 0.0000000 0.0000000 0.0000000 1.9676506 0.0000000 0.0000000 0.0000000 1.3587964 7 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 -0.0193793 0.0000000 -0.1309920 -2.3807805 8 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 -0.0193793 0.0000000 -0.1309920 -2.3807805 9 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 0.0193793 0.0000000 0.1309920 -2.3807805 10 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 0.0193793 0.0000000 0.1309920 -2.3807805 11 Se -2.7512921 0.0000000 0.0000000 0.0000000 -1.2642224 0.0000000 0.0000000 0.0000000 -3.6001784 12 Se -2.7512921 0.0000000 0.0000000 0.0000000 -1.2642224 0.0000000 0.0000000 0.0000000 -3.6001784----------------------------------------------------------------------------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: 432/432Permutation basis: 9324/9324Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1140Number of blocks in projector: 1140Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 124Use standard eigh solver.Tree of FC basis block matrices:- (1140, 1121), data: False|-- (124, 124), data: True|-- (160, 160), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (256, 252), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 240 - Time: 1.661Solver_block: 200 / 240 - Time: 1.639Solver_block: 240 / 240 - Time: 0.759Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.122--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432Permutation basis: 9324/9324Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1140Number of blocks in projector: 1140Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 124Use standard eigh solver.Tree of FC basis block matrices:- (1140, 1121), data: False|-- (124, 124), data: True|-- (160, 160), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (200, 195), data: True|-- (256, 252), data: TrueMax 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 2026-01-08 09:49:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 09:49:08]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.156031860000000 -7.901194590000000 0.000000000000000 b 2.156031860000000 7.901194590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.152772660000000Atomic positions (fractional): 1 Hg 0.54091956537468 0.45908043462532 0.75000000000000 200.590 2 Hg 0.45908043462532 0.54091956537468 0.25000000000000 200.590 3 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 4 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 5 Cs 0.25388204625933 0.74611795374067 0.75000000000000 132.905 6 Cs 0.74611795374067 0.25388204625933 0.25000000000000 132.905 7 Se 0.62445232502048 0.37554767497952 0.95179875789571 78.960 8 Se 0.37554767497952 0.62445232502048 0.04820124210429 78.960 9 Se 0.37554767497952 0.62445232502048 0.45179875789571 78.960 10 Se 0.62445232502048 0.37554767497952 0.54820124210429 78.960 11 Se 0.93441695817046 0.06558304182954 0.75000000000000 78.960 12 Se 0.06558304182954 0.93441695817046 0.25000000000000 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 12.936191159999998 0.000000000000000 0.000000000000000 b 0.000000000000000 15.802389180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.305545320000000Atomic positions (fractional): 1 Hg 0.00000000000000 0.45908043462532 0.37500000000000 200.590 > 1 2 Hg 0.33333333333333 0.45908043462532 0.37500000000000 200.590 > 1 3 Hg 0.66666666666667 0.45908043462532 0.37500000000000 200.590 > 1 4 Hg 0.00000000000000 0.45908043462532 0.87500000000000 200.590 > 1 5 Hg 0.33333333333333 0.45908043462532 0.87500000000000 200.590 > 1 6 Hg 0.66666666666667 0.45908043462532 0.87500000000000 200.590 > 1 7 Hg 0.16666666666667 0.04091956537468 0.12500000000000 200.590 > 7 8 Hg 0.50000000000000 0.04091956537468 0.12500000000000 200.590 > 7 9 Hg 0.83333333333333 0.04091956537468 0.12500000000000 200.590 > 7 10 Hg 0.16666666666667 0.04091956537468 0.62500000000000 200.590 > 7 11 Hg 0.50000000000000 0.04091956537468 0.62500000000000 200.590 > 7 12 Hg 0.83333333333333 0.04091956537468 0.62500000000000 200.590 > 7 13 Hg 0.16666666666667 0.95908043462532 0.37500000000000 200.590 > 1 14 Hg 0.50000000000000 0.95908043462532 0.37500000000000 200.590 > 1 15 Hg 0.83333333333333 0.95908043462532 0.37500000000000 200.590 > 1 16 Hg 0.16666666666667 0.95908043462532 0.87500000000000 200.590 > 1 17 Hg 0.50000000000000 0.95908043462532 0.87500000000000 200.590 > 1 18 Hg 0.83333333333333 0.95908043462532 0.87500000000000 200.590 > 1 19 Hg 0.00000000000000 0.54091956537468 0.12500000000000 200.590 > 7 20 Hg 0.33333333333333 0.54091956537468 0.12500000000000 200.590 > 7 21 Hg 0.66666666666667 0.54091956537468 0.12500000000000 200.590 > 7 22 Hg 0.00000000000000 0.54091956537468 0.62500000000000 200.590 > 7 23 Hg 0.33333333333333 0.54091956537468 0.62500000000000 200.590 > 7 24 Hg 0.66666666666667 0.54091956537468 0.62500000000000 200.590 > 7 25 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 25 26 Nd 0.33333333333333 0.00000000000000 0.00000000000000 144.242 > 25 27 Nd 0.66666666666667 0.00000000000000 0.00000000000000 144.242 > 25 28 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 25 29 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 25 30 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 25 31 Nd 0.00000000000000 0.00000000000000 0.25000000000000 144.242 > 31 32 Nd 0.33333333333333 0.00000000000000 0.25000000000000 144.242 > 31 33 Nd 0.66666666666667 0.00000000000000 0.25000000000000 144.242 > 31 34 Nd 0.00000000000000 0.00000000000000 0.75000000000000 144.242 > 31 35 Nd 0.33333333333333 0.00000000000000 0.75000000000000 144.242 > 31 36 Nd 0.66666666666667 0.00000000000000 0.75000000000000 144.242 > 31 37 Nd 0.16666666666667 0.50000000000000 0.00000000000000 144.242 > 25 38 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 > 25 39 Nd 0.83333333333333 0.50000000000000 0.00000000000000 144.242 > 25 40 Nd 0.16666666666667 0.50000000000000 0.50000000000000 144.242 > 25 41 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 > 25 42 Nd 0.83333333333333 0.50000000000000 0.50000000000000 144.242 > 25 43 Nd 0.16666666666667 0.50000000000000 0.25000000000000 144.242 > 31 44 Nd 0.50000000000000 0.50000000000000 0.25000000000000 144.242 > 31 45 Nd 0.83333333333333 0.50000000000000 0.25000000000000 144.242 > 31 46 Nd 0.16666666666667 0.50000000000000 0.75000000000000 144.242 > 31 47 Nd 0.50000000000000 0.50000000000000 0.75000000000000 144.242 > 31 48 Nd 0.83333333333333 0.50000000000000 0.75000000000000 144.242 > 31 49 Cs 0.16666666666667 0.24611795374067 0.37500000000000 132.905 > 49 50 Cs 0.50000000000000 0.24611795374067 0.37500000000000 132.905 > 49 51 Cs 0.83333333333333 0.24611795374067 0.37500000000000 132.905 > 49 52 Cs 0.16666666666667 0.24611795374067 0.87500000000000 132.905 > 49 53 Cs 0.50000000000000 0.24611795374067 0.87500000000000 132.905 > 49 54 Cs 0.83333333333333 0.24611795374067 0.87500000000000 132.905 > 49 55 Cs 0.00000000000000 0.25388204625933 0.12500000000000 132.905 > 55 56 Cs 0.33333333333333 0.25388204625933 0.12500000000000 132.905 > 55 57 Cs 0.66666666666667 0.25388204625933 0.12500000000000 132.905 > 55 58 Cs 0.00000000000000 0.25388204625933 0.62500000000000 132.905 > 55 59 Cs 0.33333333333333 0.25388204625933 0.62500000000000 132.905 > 55 60 Cs 0.66666666666667 0.25388204625933 0.62500000000000 132.905 > 55 61 Cs 0.00000000000000 0.74611795374067 0.37500000000000 132.905 > 49 62 Cs 0.33333333333333 0.74611795374067 0.37500000000000 132.905 > 49 63 Cs 0.66666666666667 0.74611795374067 0.37500000000000 132.905 > 49 64 Cs 0.00000000000000 0.74611795374067 0.87500000000000 132.905 > 49 65 Cs 0.33333333333333 0.74611795374067 0.87500000000000 132.905 > 49 66 Cs 0.66666666666667 0.74611795374067 0.87500000000000 132.905 > 49 67 Cs 0.16666666666667 0.75388204625933 0.12500000000000 132.905 > 55 68 Cs 0.50000000000000 0.75388204625933 0.12500000000000 132.905 > 55 69 Cs 0.83333333333333 0.75388204625933 0.12500000000000 132.905 > 55 70 Cs 0.16666666666667 0.75388204625933 0.62500000000000 132.905 > 55 71 Cs 0.50000000000000 0.75388204625933 0.62500000000000 132.905 > 55 72 Cs 0.83333333333333 0.75388204625933 0.62500000000000 132.905 > 55 73 Se 0.00000000000000 0.37554767497952 0.47589937894785 78.960 > 73 74 Se 0.33333333333333 0.37554767497952 0.47589937894785 78.960 > 73 75 Se 0.66666666666667 0.37554767497952 0.47589937894785 78.960 > 73 76 Se 0.00000000000000 0.37554767497952 0.97589937894785 78.960 > 73 77 Se 0.33333333333333 0.37554767497952 0.97589937894785 78.960 > 73 78 Se 0.66666666666667 0.37554767497952 0.97589937894785 78.960 > 73 79 Se 0.16666666666667 0.12445232502048 0.02410062105215 78.960 > 79 80 Se 0.50000000000000 0.12445232502048 0.02410062105215 78.960 > 79 81 Se 0.83333333333333 0.12445232502048 0.02410062105215 78.960 > 79 82 Se 0.16666666666667 0.12445232502048 0.52410062105215 78.960 > 79 83 Se 0.50000000000000 0.12445232502048 0.52410062105215 78.960 > 79 84 Se 0.83333333333333 0.12445232502048 0.52410062105215 78.960 > 79 85 Se 0.16666666666667 0.12445232502048 0.22589937894785 78.960 > 85 86 Se 0.50000000000000 0.12445232502048 0.22589937894785 78.960 > 85 87 Se 0.83333333333333 0.12445232502048 0.22589937894785 78.960 > 85 88 Se 0.16666666666667 0.12445232502048 0.72589937894785 78.960 > 85 89 Se 0.50000000000000 0.12445232502048 0.72589937894785 78.960 > 85 90 Se 0.83333333333333 0.12445232502048 0.72589937894785 78.960 > 85 91 Se 0.00000000000000 0.37554767497952 0.27410062105215 78.960 > 91 92 Se 0.33333333333333 0.37554767497952 0.27410062105215 78.960 > 91 93 Se 0.66666666666667 0.37554767497952 0.27410062105215 78.960 > 91 94 Se 0.00000000000000 0.37554767497952 0.77410062105215 78.960 > 91 95 Se 0.33333333333333 0.37554767497952 0.77410062105215 78.960 > 91 96 Se 0.66666666666667 0.37554767497952 0.77410062105215 78.960 > 91 97 Se 0.00000000000000 0.06558304182954 0.37500000000000 78.960 > 97 98 Se 0.33333333333333 0.06558304182954 0.37500000000000 78.960 > 97 99 Se 0.66666666666667 0.06558304182954 0.37500000000000 78.960 > 97 100 Se 0.00000000000000 0.06558304182954 0.87500000000000 78.960 > 97 101 Se 0.33333333333333 0.06558304182954 0.87500000000000 78.960 > 97 102 Se 0.66666666666667 0.06558304182954 0.87500000000000 78.960 > 97 103 Se 0.16666666666667 0.43441695817046 0.12500000000000 78.960 > 103 104 Se 0.50000000000000 0.43441695817046 0.12500000000000 78.960 > 103 105 Se 0.83333333333333 0.43441695817046 0.12500000000000 78.960 > 103 106 Se 0.16666666666667 0.43441695817046 0.62500000000000 78.960 > 103 107 Se 0.50000000000000 0.43441695817046 0.62500000000000 78.960 > 103 108 Se 0.83333333333333 0.43441695817046 0.62500000000000 78.960 > 103 109 Se 0.16666666666667 0.87554767497952 0.47589937894785 78.960 > 73 110 Se 0.50000000000000 0.87554767497952 0.47589937894785 78.960 > 73 111 Se 0.83333333333333 0.87554767497952 0.47589937894785 78.960 > 73 112 Se 0.16666666666667 0.87554767497952 0.97589937894785 78.960 > 73 113 Se 0.50000000000000 0.87554767497952 0.97589937894785 78.960 > 73 114 Se 0.83333333333333 0.87554767497952 0.97589937894785 78.960 > 73 115 Se 0.00000000000000 0.62445232502048 0.02410062105215 78.960 > 79 116 Se 0.33333333333333 0.62445232502048 0.02410062105215 78.960 > 79 117 Se 0.66666666666667 0.62445232502048 0.02410062105215 78.960 > 79 118 Se 0.00000000000000 0.62445232502048 0.52410062105215 78.960 > 79 119 Se 0.33333333333333 0.62445232502048 0.52410062105215 78.960 > 79 120 Se 0.66666666666667 0.62445232502048 0.52410062105215 78.960 > 79 121 Se 0.00000000000000 0.62445232502048 0.22589937894785 78.960 > 85 122 Se 0.33333333333333 0.62445232502048 0.22589937894785 78.960 > 85 123 Se 0.66666666666667 0.62445232502048 0.22589937894785 78.960 > 85 124 Se 0.00000000000000 0.62445232502048 0.72589937894785 78.960 > 85 125 Se 0.33333333333333 0.62445232502048 0.72589937894785 78.960 > 85 126 Se 0.66666666666667 0.62445232502048 0.72589937894785 78.960 > 85 127 Se 0.16666666666667 0.87554767497952 0.27410062105215 78.960 > 91 128 Se 0.50000000000000 0.87554767497952 0.27410062105215 78.960 > 91 129 Se 0.83333333333333 0.87554767497952 0.27410062105215 78.960 > 91 130 Se 0.16666666666667 0.87554767497952 0.77410062105215 78.960 > 91 131 Se 0.50000000000000 0.87554767497952 0.77410062105215 78.960 > 91 132 Se 0.83333333333333 0.87554767497952 0.77410062105215 78.960 > 91 133 Se 0.16666666666667 0.56558304182954 0.37500000000000 78.960 > 97 134 Se 0.50000000000000 0.56558304182954 0.37500000000000 78.960 > 97 135 Se 0.83333333333333 0.56558304182954 0.37500000000000 78.960 > 97 136 Se 0.16666666666667 0.56558304182954 0.87500000000000 78.960 > 97 137 Se 0.50000000000000 0.56558304182954 0.87500000000000 78.960 > 97 138 Se 0.83333333333333 0.56558304182954 0.87500000000000 78.960 > 97 139 Se 0.00000000000000 0.93441695817046 0.12500000000000 78.960 > 103 140 Se 0.33333333333333 0.93441695817046 0.12500000000000 78.960 > 103 141 Se 0.66666666666667 0.93441695817046 0.12500000000000 78.960 > 103 142 Se 0.00000000000000 0.93441695817046 0.62500000000000 78.960 > 103 143 Se 0.33333333333333 0.93441695817046 0.62500000000000 78.960 > 103 144 Se 0.66666666666667 0.93441695817046 0.62500000000000 78.960 > 103----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.9579776 0.0000000 0.0000000 0.0000000 4.9589924 0.0000000 0.0000000 0.0000000 7.9045409-------------------------- Born effective charges -------------------------- 1 Hg 2.2447199 0.0000000 0.0000000 0.0000000 0.9508820 0.0000000 0.0000000 0.0000000 2.0064467 2 Hg 2.2447199 0.0000000 0.0000000 0.0000000 0.9508820 0.0000000 0.0000000 0.0000000 2.0064467 3 Nd 5.0189379 0.0000000 0.0000000 0.0000000 1.6235120 0.4494309 0.0000000 0.7365347 4.9964964 4 Nd 5.0189379 0.0000000 0.0000000 0.0000000 1.6235120 -0.4494309 0.0000000 -0.7365347 4.9964964 5 Cs 1.1981847 0.0000000 0.0000000 0.0000000 1.9676506 0.0000000 0.0000000 0.0000000 1.3587964 6 Cs 1.1981847 0.0000000 0.0000000 0.0000000 1.9676506 0.0000000 0.0000000 0.0000000 1.3587964 7 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 -0.0193793 0.0000000 -0.1309920 -2.3807805 8 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 -0.0193793 0.0000000 -0.1309920 -2.3807805 9 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 0.0193793 0.0000000 0.1309920 -2.3807805 10 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 0.0193793 0.0000000 0.1309920 -2.3807805 11 Se -2.7512921 0.0000000 0.0000000 0.0000000 -1.2642224 0.0000000 0.0000000 0.0000000 -3.6001784 12 Se -2.7512921 0.0000000 0.0000000 0.0000000 -1.2642224 0.0000000 0.0000000 0.0000000 -3.6001784----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 09:49:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 09:49:29]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.156031860000000 -7.901194590000000 0.000000000000000 b 2.156031860000000 7.901194590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.152772660000000Atomic positions (fractional): 1 Hg 0.54091956537468 0.45908043462532 0.75000000000000 200.590 2 Hg 0.45908043462532 0.54091956537468 0.25000000000000 200.590 3 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 4 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 5 Cs 0.25388204625933 0.74611795374067 0.75000000000000 132.905 6 Cs 0.74611795374067 0.25388204625933 0.25000000000000 132.905 7 Se 0.62445232502048 0.37554767497952 0.95179875789571 78.960 8 Se 0.37554767497952 0.62445232502048 0.04820124210429 78.960 9 Se 0.37554767497952 0.62445232502048 0.45179875789571 78.960 10 Se 0.62445232502048 0.37554767497952 0.54820124210429 78.960 11 Se 0.93441695817046 0.06558304182954 0.75000000000000 78.960 12 Se 0.06558304182954 0.93441695817046 0.25000000000000 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 12.936191159999998 0.000000000000000 0.000000000000000 b 0.000000000000000 15.802389180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.305545320000000Atomic positions (fractional): 1 Hg 0.00000000000000 0.45908043462532 0.37500000000000 200.590 > 1 2 Hg 0.33333333333333 0.45908043462532 0.37500000000000 200.590 > 1 3 Hg 0.66666666666667 0.45908043462532 0.37500000000000 200.590 > 1 4 Hg 0.00000000000000 0.45908043462532 0.87500000000000 200.590 > 1 5 Hg 0.33333333333333 0.45908043462532 0.87500000000000 200.590 > 1 6 Hg 0.66666666666667 0.45908043462532 0.87500000000000 200.590 > 1 7 Hg 0.16666666666667 0.04091956537468 0.12500000000000 200.590 > 7 8 Hg 0.50000000000000 0.04091956537468 0.12500000000000 200.590 > 7 9 Hg 0.83333333333333 0.04091956537468 0.12500000000000 200.590 > 7 10 Hg 0.16666666666667 0.04091956537468 0.62500000000000 200.590 > 7 11 Hg 0.50000000000000 0.04091956537468 0.62500000000000 200.590 > 7 12 Hg 0.83333333333333 0.04091956537468 0.62500000000000 200.590 > 7 13 Hg 0.16666666666667 0.95908043462532 0.37500000000000 200.590 > 1 14 Hg 0.50000000000000 0.95908043462532 0.37500000000000 200.590 > 1 15 Hg 0.83333333333333 0.95908043462532 0.37500000000000 200.590 > 1 16 Hg 0.16666666666667 0.95908043462532 0.87500000000000 200.590 > 1 17 Hg 0.50000000000000 0.95908043462532 0.87500000000000 200.590 > 1 18 Hg 0.83333333333333 0.95908043462532 0.87500000000000 200.590 > 1 19 Hg 0.00000000000000 0.54091956537468 0.12500000000000 200.590 > 7 20 Hg 0.33333333333333 0.54091956537468 0.12500000000000 200.590 > 7 21 Hg 0.66666666666667 0.54091956537468 0.12500000000000 200.590 > 7 22 Hg 0.00000000000000 0.54091956537468 0.62500000000000 200.590 > 7 23 Hg 0.33333333333333 0.54091956537468 0.62500000000000 200.590 > 7 24 Hg 0.66666666666667 0.54091956537468 0.62500000000000 200.590 > 7 25 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 25 26 Nd 0.33333333333333 0.00000000000000 0.00000000000000 144.242 > 25 27 Nd 0.66666666666667 0.00000000000000 0.00000000000000 144.242 > 25 28 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 25 29 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 25 30 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 25 31 Nd 0.00000000000000 0.00000000000000 0.25000000000000 144.242 > 31 32 Nd 0.33333333333333 0.00000000000000 0.25000000000000 144.242 > 31 33 Nd 0.66666666666667 0.00000000000000 0.25000000000000 144.242 > 31 34 Nd 0.00000000000000 0.00000000000000 0.75000000000000 144.242 > 31 35 Nd 0.33333333333333 0.00000000000000 0.75000000000000 144.242 > 31 36 Nd 0.66666666666667 0.00000000000000 0.75000000000000 144.242 > 31 37 Nd 0.16666666666667 0.50000000000000 0.00000000000000 144.242 > 25 38 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 > 25 39 Nd 0.83333333333333 0.50000000000000 0.00000000000000 144.242 > 25 40 Nd 0.16666666666667 0.50000000000000 0.50000000000000 144.242 > 25 41 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 > 25 42 Nd 0.83333333333333 0.50000000000000 0.50000000000000 144.242 > 25 43 Nd 0.16666666666667 0.50000000000000 0.25000000000000 144.242 > 31 44 Nd 0.50000000000000 0.50000000000000 0.25000000000000 144.242 > 31 45 Nd 0.83333333333333 0.50000000000000 0.25000000000000 144.242 > 31 46 Nd 0.16666666666667 0.50000000000000 0.75000000000000 144.242 > 31 47 Nd 0.50000000000000 0.50000000000000 0.75000000000000 144.242 > 31 48 Nd 0.83333333333333 0.50000000000000 0.75000000000000 144.242 > 31 49 Cs 0.16666666666667 0.24611795374067 0.37500000000000 132.905 > 49 50 Cs 0.50000000000000 0.24611795374067 0.37500000000000 132.905 > 49 51 Cs 0.83333333333333 0.24611795374067 0.37500000000000 132.905 > 49 52 Cs 0.16666666666667 0.24611795374067 0.87500000000000 132.905 > 49 53 Cs 0.50000000000000 0.24611795374067 0.87500000000000 132.905 > 49 54 Cs 0.83333333333333 0.24611795374067 0.87500000000000 132.905 > 49 55 Cs 0.00000000000000 0.25388204625933 0.12500000000000 132.905 > 55 56 Cs 0.33333333333333 0.25388204625933 0.12500000000000 132.905 > 55 57 Cs 0.66666666666667 0.25388204625933 0.12500000000000 132.905 > 55 58 Cs 0.00000000000000 0.25388204625933 0.62500000000000 132.905 > 55 59 Cs 0.33333333333333 0.25388204625933 0.62500000000000 132.905 > 55 60 Cs 0.66666666666667 0.25388204625933 0.62500000000000 132.905 > 55 61 Cs 0.00000000000000 0.74611795374067 0.37500000000000 132.905 > 49 62 Cs 0.33333333333333 0.74611795374067 0.37500000000000 132.905 > 49 63 Cs 0.66666666666667 0.74611795374067 0.37500000000000 132.905 > 49 64 Cs 0.00000000000000 0.74611795374067 0.87500000000000 132.905 > 49 65 Cs 0.33333333333333 0.74611795374067 0.87500000000000 132.905 > 49 66 Cs 0.66666666666667 0.74611795374067 0.87500000000000 132.905 > 49 67 Cs 0.16666666666667 0.75388204625933 0.12500000000000 132.905 > 55 68 Cs 0.50000000000000 0.75388204625933 0.12500000000000 132.905 > 55 69 Cs 0.83333333333333 0.75388204625933 0.12500000000000 132.905 > 55 70 Cs 0.16666666666667 0.75388204625933 0.62500000000000 132.905 > 55 71 Cs 0.50000000000000 0.75388204625933 0.62500000000000 132.905 > 55 72 Cs 0.83333333333333 0.75388204625933 0.62500000000000 132.905 > 55 73 Se 0.00000000000000 0.37554767497952 0.47589937894785 78.960 > 73 74 Se 0.33333333333333 0.37554767497952 0.47589937894785 78.960 > 73 75 Se 0.66666666666667 0.37554767497952 0.47589937894785 78.960 > 73 76 Se 0.00000000000000 0.37554767497952 0.97589937894785 78.960 > 73 77 Se 0.33333333333333 0.37554767497952 0.97589937894785 78.960 > 73 78 Se 0.66666666666667 0.37554767497952 0.97589937894785 78.960 > 73 79 Se 0.16666666666667 0.12445232502048 0.02410062105215 78.960 > 79 80 Se 0.50000000000000 0.12445232502048 0.02410062105215 78.960 > 79 81 Se 0.83333333333333 0.12445232502048 0.02410062105215 78.960 > 79 82 Se 0.16666666666667 0.12445232502048 0.52410062105215 78.960 > 79 83 Se 0.50000000000000 0.12445232502048 0.52410062105215 78.960 > 79 84 Se 0.83333333333333 0.12445232502048 0.52410062105215 78.960 > 79 85 Se 0.16666666666667 0.12445232502048 0.22589937894785 78.960 > 85 86 Se 0.50000000000000 0.12445232502048 0.22589937894785 78.960 > 85 87 Se 0.83333333333333 0.12445232502048 0.22589937894785 78.960 > 85 88 Se 0.16666666666667 0.12445232502048 0.72589937894785 78.960 > 85 89 Se 0.50000000000000 0.12445232502048 0.72589937894785 78.960 > 85 90 Se 0.83333333333333 0.12445232502048 0.72589937894785 78.960 > 85 91 Se 0.00000000000000 0.37554767497952 0.27410062105215 78.960 > 91 92 Se 0.33333333333333 0.37554767497952 0.27410062105215 78.960 > 91 93 Se 0.66666666666667 0.37554767497952 0.27410062105215 78.960 > 91 94 Se 0.00000000000000 0.37554767497952 0.77410062105215 78.960 > 91 95 Se 0.33333333333333 0.37554767497952 0.77410062105215 78.960 > 91 96 Se 0.66666666666667 0.37554767497952 0.77410062105215 78.960 > 91 97 Se 0.00000000000000 0.06558304182954 0.37500000000000 78.960 > 97 98 Se 0.33333333333333 0.06558304182954 0.37500000000000 78.960 > 97 99 Se 0.66666666666667 0.06558304182954 0.37500000000000 78.960 > 97 100 Se 0.00000000000000 0.06558304182954 0.87500000000000 78.960 > 97 101 Se 0.33333333333333 0.06558304182954 0.87500000000000 78.960 > 97 102 Se 0.66666666666667 0.06558304182954 0.87500000000000 78.960 > 97 103 Se 0.16666666666667 0.43441695817046 0.12500000000000 78.960 > 103 104 Se 0.50000000000000 0.43441695817046 0.12500000000000 78.960 > 103 105 Se 0.83333333333333 0.43441695817046 0.12500000000000 78.960 > 103 106 Se 0.16666666666667 0.43441695817046 0.62500000000000 78.960 > 103 107 Se 0.50000000000000 0.43441695817046 0.62500000000000 78.960 > 103 108 Se 0.83333333333333 0.43441695817046 0.62500000000000 78.960 > 103 109 Se 0.16666666666667 0.87554767497952 0.47589937894785 78.960 > 73 110 Se 0.50000000000000 0.87554767497952 0.47589937894785 78.960 > 73 111 Se 0.83333333333333 0.87554767497952 0.47589937894785 78.960 > 73 112 Se 0.16666666666667 0.87554767497952 0.97589937894785 78.960 > 73 113 Se 0.50000000000000 0.87554767497952 0.97589937894785 78.960 > 73 114 Se 0.83333333333333 0.87554767497952 0.97589937894785 78.960 > 73 115 Se 0.00000000000000 0.62445232502048 0.02410062105215 78.960 > 79 116 Se 0.33333333333333 0.62445232502048 0.02410062105215 78.960 > 79 117 Se 0.66666666666667 0.62445232502048 0.02410062105215 78.960 > 79 118 Se 0.00000000000000 0.62445232502048 0.52410062105215 78.960 > 79 119 Se 0.33333333333333 0.62445232502048 0.52410062105215 78.960 > 79 120 Se 0.66666666666667 0.62445232502048 0.52410062105215 78.960 > 79 121 Se 0.00000000000000 0.62445232502048 0.22589937894785 78.960 > 85 122 Se 0.33333333333333 0.62445232502048 0.22589937894785 78.960 > 85 123 Se 0.66666666666667 0.62445232502048 0.22589937894785 78.960 > 85 124 Se 0.00000000000000 0.62445232502048 0.72589937894785 78.960 > 85 125 Se 0.33333333333333 0.62445232502048 0.72589937894785 78.960 > 85 126 Se 0.66666666666667 0.62445232502048 0.72589937894785 78.960 > 85 127 Se 0.16666666666667 0.87554767497952 0.27410062105215 78.960 > 91 128 Se 0.50000000000000 0.87554767497952 0.27410062105215 78.960 > 91 129 Se 0.83333333333333 0.87554767497952 0.27410062105215 78.960 > 91 130 Se 0.16666666666667 0.87554767497952 0.77410062105215 78.960 > 91 131 Se 0.50000000000000 0.87554767497952 0.77410062105215 78.960 > 91 132 Se 0.83333333333333 0.87554767497952 0.77410062105215 78.960 > 91 133 Se 0.16666666666667 0.56558304182954 0.37500000000000 78.960 > 97 134 Se 0.50000000000000 0.56558304182954 0.37500000000000 78.960 > 97 135 Se 0.83333333333333 0.56558304182954 0.37500000000000 78.960 > 97 136 Se 0.16666666666667 0.56558304182954 0.87500000000000 78.960 > 97 137 Se 0.50000000000000 0.56558304182954 0.87500000000000 78.960 > 97 138 Se 0.83333333333333 0.56558304182954 0.87500000000000 78.960 > 97 139 Se 0.00000000000000 0.93441695817046 0.12500000000000 78.960 > 103 140 Se 0.33333333333333 0.93441695817046 0.12500000000000 78.960 > 103 141 Se 0.66666666666667 0.93441695817046 0.12500000000000 78.960 > 103 142 Se 0.00000000000000 0.93441695817046 0.62500000000000 78.960 > 103 143 Se 0.33333333333333 0.93441695817046 0.62500000000000 78.960 > 103 144 Se 0.66666666666667 0.93441695817046 0.62500000000000 78.960 > 103----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.9579776 0.0000000 0.0000000 0.0000000 4.9589924 0.0000000 0.0000000 0.0000000 7.9045409-------------------------- Born effective charges -------------------------- 1 Hg 2.2447199 0.0000000 0.0000000 0.0000000 0.9508820 0.0000000 0.0000000 0.0000000 2.0064467 2 Hg 2.2447199 0.0000000 0.0000000 0.0000000 0.9508820 0.0000000 0.0000000 0.0000000 2.0064467 3 Nd 5.0189379 0.0000000 0.0000000 0.0000000 1.6235120 0.4494309 0.0000000 0.7365347 4.9964964 4 Nd 5.0189379 0.0000000 0.0000000 0.0000000 1.6235120 -0.4494309 0.0000000 -0.7365347 4.9964964 5 Cs 1.1981847 0.0000000 0.0000000 0.0000000 1.9676506 0.0000000 0.0000000 0.0000000 1.3587964 6 Cs 1.1981847 0.0000000 0.0000000 0.0000000 1.9676506 0.0000000 0.0000000 0.0000000 1.3587964 7 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 -0.0193793 0.0000000 -0.1309920 -2.3807805 8 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 -0.0193793 0.0000000 -0.1309920 -2.3807805 9 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 0.0193793 0.0000000 0.1309920 -2.3807805 10 Se -2.8552752 0.0000000 0.0000000 0.0000000 -1.6389111 0.0193793 0.0000000 0.1309920 -2.3807805 11 Se -2.7512921 0.0000000 0.0000000 0.0000000 -1.2642224 0.0000000 0.0000000 0.0000000 -3.6001784 12 Se -2.7512921 0.0000000 0.0000000 0.0000000 -1.2642224 0.0000000 0.0000000 0.0000000 -3.6001784----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 12 12 4 ]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: 0.57, Number of G-points: 307, Lambda: 0.16Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/129) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.859 ( 0.000 0.000 0.000) 0.000 1.002 ( 0.000 0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.302 ( 0.000 0.000 0.000) 0.000 1.339 ( 0.000 0.000 0.000) 0.000 1.432 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/129) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.302 ( 15.814 1.766 0.000) 15.912 0.323 ( 16.107 -1.136 0.000) 16.147 0.554 ( 24.690 -6.708 0.000) 25.585 0.905 ( 4.458 0.347 0.000) 4.471 1.031 ( 3.206 0.391 0.000) 3.230 1.088 ( 4.581 -1.597 0.000) 4.851 1.205 ( -3.196 1.635 0.000) 3.590 1.415 ( 1.896 1.684 0.000) 2.536 1.426 ( 3.675 -0.186 0.000) 3.679 1.455 ( 7.976 0.366 0.000) 7.985 1.492 ( 2.716 0.105 0.000) 2.718 1.538 ( -0.192 -0.371 0.000) 0.418 1.583 ( 6.500 0.327 0.000) 6.508 1.703 ( 4.617 -0.215 0.000) 4.623 1.883 ( -1.552 1.197 0.000) 1.959 1.995 ( -3.124 -2.111 0.000) 3.770 2.114 ( -0.692 0.019 0.000) 0.693 3.011 ( -1.823 -0.331 0.000) 1.853 3.459 ( 8.386 -0.062 0.000) 8.386 3.468 ( -0.770 -0.020 0.000) 0.771 3.476 ( 4.860 -0.033 0.000) 4.860 3.594 ( 1.207 0.183 0.000) 1.221 3.771 ( -1.961 0.029 0.000) 1.962 3.947 ( 1.816 0.518 0.000) 1.888 4.010 ( 1.928 -0.004 0.000) 1.928 4.064 ( -0.786 0.194 0.000) 0.810 4.285 ( 1.892 0.169 0.000) 1.899 4.321 ( -2.271 -0.127 0.000) 2.274 4.593 ( -4.326 4.320 0.000) 6.114 4.678 ( -0.027 0.902 0.000) 0.903 4.849 ( -0.186 0.296 0.000) 0.350 5.080 ( 3.792 19.170 0.000) 19.542 5.152 ( 1.256 5.304 0.000) 5.450 5.486 ( -7.316 -13.775 0.000) 15.597 5.498 ( 0.684 1.091 0.000) 1.288 5.595 ( -2.194 -1.192 0.000) 2.497======================= Grid point 2 (3/129) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( 14.724 3.448 0.000) 15.122 0.626 ( 14.129 -1.550 0.000) 14.214 0.949 ( 10.820 -3.522 0.000) 11.379 1.008 ( 6.149 0.887 0.000) 6.213 1.149 ( -1.523 2.514 0.000) 2.939 1.155 ( 10.497 0.670 0.000) 10.519 1.201 ( 5.655 -2.551 0.000) 6.203 1.430 ( 2.157 1.886 0.000) 2.865 1.514 ( -0.880 0.034 0.000) 0.881 1.525 ( 5.165 0.863 0.000) 5.236 1.541 ( -0.096 -1.161 0.000) 1.165 1.559 ( 4.444 -0.384 0.000) 4.461 1.740 ( 4.630 -0.089 0.000) 4.630 1.889 ( 7.292 1.279 0.000) 7.403 1.927 ( 17.169 0.461 0.000) 17.175 1.935 ( -3.301 -1.912 0.000) 3.814 2.094 ( -1.391 -0.098 0.000) 1.394 2.980 ( -1.400 -0.554 0.000) 1.506 3.437 ( -2.459 -0.050 0.000) 2.460 3.585 ( 5.716 -0.263 0.000) 5.722 3.629 ( 2.463 0.135 0.000) 2.467 3.652 ( 10.244 -0.119 0.000) 10.245 3.720 ( -2.826 0.017 0.000) 2.826 3.963 ( -0.354 0.249 0.000) 0.433 4.034 ( -0.473 -0.028 0.000) 0.474 4.066 ( 1.522 0.228 0.000) 1.539 4.263 ( -3.546 -0.192 0.000) 3.551 4.344 ( 4.148 0.277 0.000) 4.158 4.459 ( -6.898 0.404 0.000) 6.909 4.673 ( -0.214 0.152 0.000) 0.263 4.845 ( -0.078 0.363 0.000) 0.371 5.034 ( -1.678 5.876 0.000) 6.111 5.152 ( 2.266 7.890 0.000) 8.209 5.395 ( -7.104 -6.085 0.000) 9.354 5.505 ( 0.385 2.084 0.000) 2.119 5.553 ( -2.315 -2.082 0.000) 3.113======================= Grid point 3 (4/129) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( 12.086 4.971 0.000) 13.069 0.863 ( 8.782 -1.386 0.000) 8.890 1.071 ( 3.453 0.758 0.000) 3.536 1.111 ( 1.308 2.098 0.000) 2.472 1.139 ( 5.752 0.793 0.000) 5.806 1.254 ( 1.269 0.907 0.000) 1.560 1.363 ( 7.023 3.848 0.000) 8.008 1.469 ( 2.962 2.611 0.000) 3.948 1.481 ( -2.083 -0.577 0.000) 2.161 1.537 ( -0.716 -0.830 0.000) 1.096 1.634 ( 5.762 -1.077 0.000) 5.862 1.676 ( 6.217 -2.874 0.000) 6.849 1.751 ( 0.348 -2.359 0.000) 2.384 1.869 ( -3.766 -3.781 0.000) 5.337 2.057 ( -2.522 -0.234 0.000) 2.532 2.175 ( 16.946 -0.538 0.000) 16.954 2.285 ( 18.637 0.391 0.000) 18.641 2.964 ( -0.741 -0.449 0.000) 0.867 3.376 ( -3.741 -0.125 0.000) 3.743 3.661 ( -2.363 -0.134 0.000) 2.367 3.679 ( 2.452 -0.013 0.000) 2.452 3.681 ( 3.482 -0.284 0.000) 3.494 3.838 ( 7.833 -0.053 0.000) 7.833 3.944 ( -3.959 0.375 0.000) 3.977 3.966 ( -2.919 -0.643 0.000) 2.989 4.107 ( 2.602 0.202 0.000) 2.610 4.197 ( -3.074 -0.146 0.000) 3.077 4.362 ( -1.644 0.392 0.000) 1.690 4.442 ( 4.439 -0.399 0.000) 4.457 4.671 ( 0.096 0.120 0.000) 0.154 4.842 ( -0.133 0.224 0.000) 0.260 4.957 ( -3.910 2.517 0.000) 4.650 5.149 ( 0.888 5.772 0.000) 5.840 5.292 ( -5.419 -2.309 0.000) 5.891 5.466 ( -3.109 -0.292 0.000) 3.123 5.558 ( 1.654 0.495 0.000) 1.726======================= Grid point 4 (5/129) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 2.539 0.109 0.000) 2.542 0.990 ( 7.509 5.496 0.000) 9.305 1.089 ( -0.552 3.330 0.000) 3.375 1.100 ( -0.924 0.216 0.000) 0.949 1.231 ( -1.201 4.193 0.000) 4.361 1.294 ( 8.451 0.309 0.000) 8.457 1.426 ( 3.440 5.924 0.000) 6.850 1.449 ( -1.616 -1.219 0.000) 2.024 1.526 ( 3.908 0.834 0.000) 3.996 1.529 ( 0.100 -0.026 0.000) 0.103 1.692 ( -0.209 -2.969 0.000) 2.976 1.788 ( 4.381 -2.681 0.000) 5.136 1.822 ( -3.660 -5.101 0.000) 6.278 1.858 ( 5.949 -4.104 0.000) 7.227 1.994 ( -4.318 -0.443 0.000) 4.341 2.480 ( 13.203 -1.003 0.000) 13.242 2.603 ( 13.598 0.156 0.000) 13.598 2.950 ( -0.913 -0.022 0.000) 0.914 3.304 ( -3.426 -0.155 0.000) 3.430 3.647 ( 1.302 -0.137 0.000) 1.309 3.679 ( -4.667 -0.251 0.000) 4.674 3.716 ( 1.290 -0.046 0.000) 1.291 3.844 ( -1.456 -0.144 0.000) 1.463 3.950 ( 3.637 -0.036 0.000) 3.637 4.003 ( 4.241 -0.171 0.000) 4.244 4.155 ( -1.328 -0.074 0.000) 1.330 4.160 ( 2.901 -0.005 0.000) 2.901 4.349 ( -0.258 0.026 0.000) 0.259 4.517 ( 2.877 -0.098 0.000) 2.879 4.677 ( 0.619 0.137 0.000) 0.634 4.835 ( -0.450 0.063 0.000) 0.455 4.862 ( -4.710 1.436 0.000) 4.924 5.116 ( -2.316 1.140 0.000) 2.582 5.224 ( -1.750 1.615 0.000) 2.382 5.410 ( -2.758 -0.755 0.000) 2.860 5.589 ( 1.682 1.021 0.000) 1.968======================= Grid point 5 (6/129) =======================q-point: ( 0.42 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.995 ( 0.910 0.522 0.000) 1.049 1.007 ( -2.553 3.512 0.000) 4.342 1.073 ( -1.778 -0.522 0.000) 1.853 1.089 ( 3.476 4.182 0.000) 5.438 1.185 ( -1.713 2.903 0.000) 3.371 1.398 ( 1.629 0.159 0.000) 1.637 1.433 ( -0.557 -0.904 0.000) 1.062 1.466 ( 3.215 3.421 0.000) 4.695 1.580 ( 5.627 0.152 0.000) 5.629 1.589 ( 2.307 0.184 0.000) 2.314 1.701 ( 0.297 -1.362 0.000) 1.394 1.767 ( -4.113 -5.065 0.000) 6.525 1.872 ( 2.601 -1.011 0.000) 2.791 1.897 ( -5.650 -0.451 0.000) 5.668 1.965 ( 3.085 -2.769 0.000) 4.146 2.672 ( 6.083 -0.578 0.000) 6.110 2.789 ( 5.727 -0.046 0.000) 5.727 2.930 ( -0.855 0.163 0.000) 0.870 3.254 ( -1.783 -0.095 0.000) 1.786 3.582 ( -3.933 -0.425 0.000) 3.956 3.713 ( 4.714 -0.033 0.000) 4.714 3.730 ( 0.334 -0.008 0.000) 0.334 3.854 ( 1.042 0.150 0.000) 1.053 3.981 ( -0.243 -0.009 0.000) 0.244 4.107 ( 5.322 0.016 0.000) 5.322 4.144 ( -0.072 -0.043 0.000) 0.084 4.218 ( 2.910 -0.259 0.000) 2.922 4.341 ( -0.509 -0.083 0.000) 0.516 4.549 ( 0.376 -0.187 0.000) 0.420 4.691 ( 0.762 0.111 0.000) 0.771 4.768 ( -3.903 0.917 0.000) 4.009 4.825 ( -0.472 -0.010 0.000) 0.472 5.064 ( -2.346 -0.284 0.000) 2.363 5.196 ( -0.466 1.739 0.000) 1.801 5.372 ( -1.529 -0.512 0.000) 1.612 5.608 ( 0.763 0.678 0.000) 1.020======================= Grid point 6 (7/129) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.964 ( 0.000 -0.000 0.000) 0.000 1.004 ( 0.000 -0.000 0.000) 0.000 1.052 ( 0.000 -0.000 0.000) 0.000 1.128 ( -0.000 -0.000 0.000) 0.000 1.141 ( 0.000 -0.000 0.000) 0.000 1.403 ( 0.000 -0.000 0.000) 0.000 1.432 ( 0.000 -0.000 0.000) 0.000 1.494 ( 0.000 -0.000 0.000) 0.000 1.608 ( 0.000 -0.000 0.000) 0.000 1.668 ( 0.000 -0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.724 ( -0.000 -0.000 0.000) 0.000 1.818 ( 0.000 -0.000 0.000) 0.000 1.899 ( 0.000 -0.000 0.000) 0.000 2.003 ( 0.000 -0.000 0.000) 0.000 2.729 ( 0.000 -0.000 0.000) 0.000 2.841 ( 0.000 -0.000 0.000) 0.000 2.922 ( 0.000 -0.000 0.000) 0.000 3.237 ( 0.000 -0.000 0.000) 0.000 3.546 ( 0.000 -0.000 0.000) 0.000 3.731 ( 0.000 -0.000 0.000) 0.000 3.777 ( -0.000 -0.000 0.000) 0.000 3.865 ( 0.000 -0.000 0.000) 0.000 3.967 ( 0.000 -0.000 0.000) 0.000 4.144 ( 0.000 -0.000 0.000) 0.000 4.163 ( -0.000 -0.000 0.000) 0.000 4.258 ( 0.000 -0.000 0.000) 0.000 4.335 ( 0.000 -0.000 0.000) 0.000 4.547 ( 0.000 -0.000 0.000) 0.000 4.698 ( 0.000 -0.000 0.000) 0.000 4.724 ( 0.000 -0.000 0.000) 0.000 4.820 ( 0.000 -0.000 0.000) 0.000 5.041 ( 0.000 -0.000 0.000) 0.000 5.187 ( 0.000 -0.000 0.000) 0.000 5.358 ( 0.000 -0.000 0.000) 0.000 5.613 ( 0.000 -0.000 0.000) 0.000======================= Grid point 14 (8/129) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.608 ( 14.917 0.000 0.000) 14.917 0.618 ( 14.233 0.000 0.000) 14.233 0.926 ( 12.935 0.000 0.000) 12.935 1.013 ( 6.215 0.000 0.000) 6.215 1.162 ( -1.851 -0.000 0.000) 1.851 1.165 ( 11.388 0.000 0.000) 11.388 1.181 ( 4.826 0.000 0.000) 4.826 1.440 ( 2.171 0.000 0.000) 2.171 1.515 ( -0.817 -0.000 0.000) 0.817 1.530 ( 5.130 0.000 0.000) 5.130 1.533 ( -0.204 -0.000 0.000) 0.204 1.558 ( 4.167 0.000 0.000) 4.167 1.740 ( 4.428 0.000 0.000) 4.428 1.896 ( 7.378 0.000 0.000) 7.378 1.924 ( -4.202 -0.000 0.000) 4.202 1.930 ( 17.219 0.000 0.000) 17.219 2.094 ( -1.451 -0.000 0.000) 1.451 2.977 ( -1.356 -0.000 0.000) 1.356 3.437 ( -2.469 -0.000 0.000) 2.469 3.584 ( 5.693 0.000 0.000) 5.693 3.630 ( 2.393 0.000 0.000) 2.393 3.652 ( 10.227 0.000 0.000) 10.227 3.721 ( -2.808 -0.000 0.000) 2.808 3.964 ( -0.407 -0.000 0.000) 0.407 4.034 ( -0.532 -0.000 0.000) 0.532 4.067 ( 1.478 0.000 0.000) 1.478 4.262 ( -3.524 -0.000 0.000) 3.524 4.346 ( 4.255 0.000 0.000) 4.255 4.462 ( -7.535 -0.000 0.000) 7.535 4.674 ( -0.269 -0.000 0.000) 0.269 4.847 ( -0.142 -0.000 0.000) 0.142 5.058 ( -3.808 -0.000 0.000) 3.808 5.220 ( 1.446 0.000 0.000) 1.446 5.345 ( -5.692 -0.000 0.000) 5.692 5.524 ( 1.643 0.000 0.000) 1.643 5.534 ( -3.518 -0.000 0.000) 3.518======================= Grid point 15 (9/129) =======================q-point: ( 0.17 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( 9.325 -0.483 0.000) 9.338 0.867 ( 12.255 2.386 0.000) 12.485 1.074 ( 4.238 -0.039 0.000) 4.238 1.129 ( -0.311 1.120 0.000) 1.163 1.142 ( 6.381 -0.077 0.000) 6.381 1.256 ( 2.662 -0.108 0.000) 2.665 1.393 ( 9.329 1.563 0.000) 9.459 1.478 ( -2.363 -0.151 0.000) 2.368 1.489 ( 2.758 0.912 0.000) 2.904 1.530 ( -0.308 -0.375 0.000) 0.485 1.631 ( 5.015 0.154 0.000) 5.017 1.658 ( 5.817 -0.726 0.000) 5.862 1.731 ( -0.999 -1.091 0.000) 1.480 1.836 ( -4.951 -1.962 0.000) 5.326 2.056 ( -2.606 -0.083 0.000) 2.608 2.171 ( 16.691 -0.166 0.000) 16.692 2.288 ( 18.552 0.141 0.000) 18.553 2.960 ( -0.577 -0.165 0.000) 0.600 3.375 ( -3.756 -0.047 0.000) 3.757 3.660 ( -2.372 -0.049 0.000) 2.372 3.679 ( 2.439 -0.007 0.000) 2.439 3.679 ( 3.563 -0.091 0.000) 3.564 3.838 ( 7.836 -0.019 0.000) 7.836 3.950 ( -5.508 0.581 0.000) 5.539 3.959 ( -1.506 -0.653 0.000) 1.641 4.109 ( 2.539 0.074 0.000) 2.540 4.196 ( -3.028 -0.054 0.000) 3.028 4.365 ( -2.048 0.159 0.000) 2.054 4.438 ( 4.773 -0.178 0.000) 4.776 4.671 ( 0.092 0.046 0.000) 0.103 4.843 ( -0.224 0.081 0.000) 0.238 4.973 ( -4.710 0.663 0.000) 4.757 5.209 ( -2.022 5.294 0.000) 5.667 5.260 ( -2.981 -3.770 0.000) 4.806 5.464 ( -3.533 -0.099 0.000) 3.534 5.562 ( 2.117 0.174 0.000) 2.124======================= Grid point 16 (10/129) =======================q-point: ( 0.25 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 3.024 0.056 0.000) 3.025 1.043 ( 7.154 4.215 0.000) 8.303 1.102 ( -1.528 0.124 0.000) 1.533 1.111 ( 0.093 0.893 0.000) 0.898 1.269 ( -0.749 2.706 0.000) 2.808 1.297 ( 8.217 0.235 0.000) 8.221 1.439 ( -1.705 -0.730 0.000) 1.855 1.487 ( 3.174 5.093 0.000) 6.001 1.528 ( 0.385 -0.040 0.000) 0.387 1.535 ( 2.749 0.771 0.000) 2.855 1.665 ( 0.003 -1.838 0.000) 1.838 1.746 ( -1.550 -4.795 0.000) 5.039 1.787 ( 2.841 -1.066 0.000) 3.035 1.819 ( 5.787 -3.241 0.000) 6.632 1.990 ( -4.346 -0.254 0.000) 4.354 2.472 ( 13.297 -0.532 0.000) 13.307 2.605 ( 13.465 0.089 0.000) 13.465 2.950 ( -0.729 -0.017 0.000) 0.729 3.303 ( -3.407 -0.091 0.000) 3.409 3.645 ( 1.343 -0.078 0.000) 1.345 3.677 ( -4.827 -0.150 0.000) 4.830 3.716 ( 1.305 -0.028 0.000) 1.306 3.843 ( -1.243 -0.055 0.000) 1.244 3.949 ( 3.653 -0.021 0.000) 3.653 4.002 ( 4.282 -0.103 0.000) 4.283 4.154 ( -1.302 -0.043 0.000) 1.303 4.160 ( 2.781 0.001 0.000) 2.781 4.349 ( -0.347 0.008 0.000) 0.347 4.516 ( 2.922 -0.078 0.000) 2.923 4.678 ( 0.606 0.074 0.000) 0.610 4.836 ( -0.509 0.036 0.000) 0.510 4.873 ( -5.074 0.735 0.000) 5.127 5.126 ( -3.929 0.666 0.000) 3.985 5.239 ( -0.845 1.016 0.000) 1.321 5.404 ( -2.697 -0.400 0.000) 2.727 5.597 ( 1.588 0.554 0.000) 1.682======================= Grid point 17 (11/129) =======================q-point: ( 0.33 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( 0.976 0.477 0.000) 1.086 1.043 ( -3.171 3.135 0.000) 4.459 1.068 ( -1.974 -0.476 0.000) 2.031 1.129 ( 1.896 3.161 0.000) 3.686 1.212 ( -3.307 2.258 0.000) 4.004 1.400 ( 1.657 0.313 0.000) 1.686 1.424 ( -0.148 -0.848 0.000) 0.861 1.499 ( 1.026 2.788 0.000) 2.971 1.581 ( 5.576 0.100 0.000) 5.577 1.583 ( 1.548 -1.037 0.000) 1.863 1.697 ( 2.578 0.203 0.000) 2.586 1.717 ( -2.243 -4.038 0.000) 4.619 1.864 ( 3.100 -0.269 0.000) 3.111 1.893 ( -5.566 -0.329 0.000) 5.576 1.932 ( 3.767 -3.360 0.000) 5.048 2.668 ( 6.592 -0.224 0.000) 6.595 2.789 ( 5.692 -0.033 0.000) 5.692 2.931 ( -1.023 0.006 0.000) 1.023 3.253 ( -1.738 -0.072 0.000) 1.740 3.577 ( -3.868 -0.360 0.000) 3.885 3.712 ( 4.802 -0.013 0.000) 4.802 3.730 ( 0.302 -0.019 0.000) 0.303 3.856 ( 1.085 0.173 0.000) 1.099 3.981 ( -0.234 -0.005 0.000) 0.234 4.107 ( 5.444 0.010 0.000) 5.444 4.143 ( -0.057 -0.032 0.000) 0.065 4.215 ( 2.848 -0.201 0.000) 2.855 4.340 ( -0.519 -0.077 0.000) 0.524 4.547 ( 0.312 -0.136 0.000) 0.341 4.692 ( 0.740 0.082 0.000) 0.745 4.777 ( -4.191 0.641 0.000) 4.240 4.825 ( -0.483 -0.007 0.000) 0.483 5.062 ( -2.376 -0.126 0.000) 2.379 5.212 ( -1.170 1.222 0.000) 1.692 5.367 ( -1.312 -0.357 0.000) 1.360 5.614 ( 0.469 0.478 0.000) 0.670======================= Grid point 18 (12/129) =======================q-point: ( 0.42 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( -1.938 1.329 0.000) 2.350 1.007 ( -0.397 0.496 0.000) 0.635 1.049 ( 0.467 -0.541 0.000) 0.715 1.128 ( -3.741 -0.296 0.000) 3.752 1.137 ( -0.488 -0.337 0.000) 0.593 1.404 ( 0.005 0.320 0.000) 0.320 1.431 ( 0.361 -0.260 0.000) 0.445 1.487 ( -2.258 -1.186 0.000) 2.551 1.600 ( -0.414 -1.443 0.000) 1.501 1.668 ( -0.206 -0.008 0.000) 0.206 1.713 ( 0.716 0.498 0.000) 0.872 1.752 ( 3.807 2.660 0.000) 4.645 1.818 ( 0.437 0.005 0.000) 0.437 1.901 ( 0.680 0.377 0.000) 0.778 1.995 ( 1.180 -1.574 0.000) 1.967 2.732 ( 0.399 0.544 0.000) 0.674 2.841 ( 0.059 0.000 0.000) 0.059 2.920 ( -0.194 -0.399 0.000) 0.444 3.237 ( 0.050 -0.003 0.000) 0.050 3.545 ( 0.284 -0.060 0.000) 0.290 3.731 ( -0.012 0.004 0.000) 0.013 3.777 ( 0.009 -0.006 0.000) 0.011 3.865 ( -0.109 0.085 0.000) 0.138 3.967 ( 0.004 0.003 0.000) 0.005 4.144 ( 0.026 -0.001 0.000) 0.026 4.163 ( -0.112 0.003 0.000) 0.112 4.258 ( 0.267 -0.011 0.000) 0.267 4.335 ( 0.067 -0.020 0.000) 0.070 4.547 ( 0.260 -0.016 0.000) 0.260 4.699 ( -0.082 0.058 0.000) 0.100 4.724 ( -0.633 -0.032 0.000) 0.634 4.820 ( 0.015 0.000 0.000) 0.015 5.041 ( 0.218 0.002 0.000) 0.218 5.187 ( -0.988 0.007 0.000) 0.988 5.358 ( 0.292 0.002 0.000) 0.292 5.613 ( -0.381 -0.001 0.000) 0.381======================= Grid point 19 (13/129) =======================q-point: (-0.50 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.973 ( 1.425 -2.721 0.000) 3.071 0.990 ( -1.034 -0.423 0.000) 1.117 1.045 ( -5.490 -4.041 0.000) 6.817 1.078 ( 1.778 0.426 0.000) 1.829 1.153 ( 0.592 -2.909 0.000) 2.969 1.397 ( -1.672 -0.044 0.000) 1.672 1.430 ( -4.355 -3.138 0.000) 5.367 1.443 ( 1.090 0.808 0.000) 1.357 1.578 ( -5.707 -0.175 0.000) 5.709 1.580 ( -2.521 -1.301 0.000) 2.837 1.726 ( 1.315 3.069 0.000) 3.339 1.815 ( 4.245 3.568 0.000) 5.546 1.886 ( -1.573 1.907 0.000) 2.472 1.902 ( 5.748 0.453 0.000) 5.766 1.988 ( -1.992 1.446 0.000) 2.462 2.680 ( -5.677 0.921 0.000) 5.751 2.790 ( -5.767 0.046 0.000) 5.767 2.927 ( 0.823 -0.362 0.000) 0.899 3.255 ( 1.834 0.091 0.000) 1.837 3.586 ( 4.007 0.341 0.000) 4.021 3.713 ( -4.658 0.052 0.000) 4.659 3.730 ( -0.324 -0.013 0.000) 0.324 3.853 ( -0.991 -0.045 0.000) 0.992 3.981 ( 0.254 0.013 0.000) 0.254 4.107 ( -5.197 -0.017 0.000) 5.197 4.144 ( 0.091 0.042 0.000) 0.100 4.220 ( -2.968 0.240 0.000) 2.978 4.342 ( 0.497 0.057 0.000) 0.500 4.551 ( -0.471 0.188 0.000) 0.507 4.690 ( -0.812 -0.112 0.000) 0.820 4.758 ( 3.546 -0.963 0.000) 3.675 4.825 ( 0.460 0.010 0.000) 0.460 5.068 ( 2.463 0.479 0.000) 2.509 5.177 ( -0.457 -1.887 0.000) 1.942 5.377 ( 1.810 0.545 0.000) 1.891 5.601 ( -1.134 -0.710 0.000) 1.338======================= Grid point 20 (14/129) =======================q-point: (-0.42 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( -7.926 -5.146 0.000) 9.450 0.967 ( -1.897 -0.144 0.000) 1.902 1.044 ( 1.508 -5.093 0.000) 5.311 1.098 ( 0.113 -0.250 0.000) 0.275 1.186 ( 1.014 -4.094 0.000) 4.218 1.291 ( -8.823 -0.238 0.000) 8.826 1.367 ( -4.148 -5.111 0.000) 6.582 1.463 ( 1.607 1.399 0.000) 2.131 1.518 ( -4.233 -0.761 0.000) 4.301 1.529 ( 0.237 -0.066 0.000) 0.246 1.725 ( 0.016 3.229 0.000) 3.229 1.813 ( -3.829 2.202 0.000) 4.417 1.874 ( 2.532 4.469 0.000) 5.136 1.903 ( -4.590 4.327 0.000) 6.308 1.999 ( 4.281 0.515 0.000) 4.312 2.492 ( -13.093 1.297 0.000) 13.157 2.602 ( -13.782 -0.182 0.000) 13.783 2.950 ( 1.191 0.012 0.000) 1.191 3.306 ( 3.452 0.176 0.000) 3.457 3.648 ( -1.247 0.163 0.000) 1.257 3.682 ( 4.525 0.282 0.000) 4.533 3.717 ( -1.267 0.049 0.000) 1.267 3.846 ( 1.729 0.249 0.000) 1.747 3.950 ( -3.617 0.041 0.000) 3.617 4.005 ( -4.184 0.186 0.000) 4.188 4.156 ( 1.364 0.085 0.000) 1.366 4.160 ( -3.056 0.017 0.000) 3.056 4.348 ( 0.144 -0.048 0.000) 0.152 4.518 ( -2.857 0.027 0.000) 2.857 4.675 ( -0.627 -0.169 0.000) 0.650 4.834 ( 0.369 -0.073 0.000) 0.376 4.844 ( 3.965 -1.923 0.000) 4.406 5.103 ( 0.127 -1.258 0.000) 1.264 5.207 ( 3.198 -1.657 0.000) 3.602 5.420 ( 2.895 1.006 0.000) 3.065 5.576 ( -1.863 -1.313 0.000) 2.279======================= Grid point 21 (15/129) =======================q-point: (-0.33 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( -11.134 -4.403 0.000) 11.973 0.882 ( -7.684 2.106 0.000) 7.967 1.056 ( -2.275 -2.098 0.000) 3.095 1.087 ( -2.297 -2.440 0.000) 3.351 1.126 ( -6.601 -1.659 0.000) 6.806 1.231 ( 0.534 -3.370 0.000) 3.412 1.316 ( -4.805 -4.931 0.000) 6.885 1.442 ( -3.728 -2.035 0.000) 4.247 1.490 ( 1.803 1.073 0.000) 2.098 1.546 ( 1.173 0.774 0.000) 1.405 1.653 ( -6.154 2.348 0.000) 6.587 1.717 ( -6.540 4.760 0.000) 8.089 1.777 ( -1.834 2.345 0.000) 2.977 1.908 ( 2.048 3.252 0.000) 3.843 2.060 ( 2.390 0.337 0.000) 2.414 2.183 ( -17.255 0.947 0.000) 17.281 2.280 ( -18.801 -0.551 0.000) 18.809 2.969 ( 1.017 0.609 0.000) 1.186 3.377 ( 3.712 0.167 0.000) 3.716 3.662 ( 2.345 0.185 0.000) 2.352 3.679 ( -2.518 0.018 0.000) 2.518 3.685 ( -3.291 0.457 0.000) 3.323 3.839 ( -7.826 0.072 0.000) 7.826 3.943 ( 3.447 0.135 0.000) 3.449 3.972 ( 3.318 0.453 0.000) 3.349 4.105 ( -2.733 -0.284 0.000) 2.748 4.199 ( 3.152 0.198 0.000) 3.159 4.357 ( 1.148 -0.463 0.000) 1.238 4.446 ( -4.093 0.322 0.000) 4.106 4.669 ( -0.094 -0.144 0.000) 0.172 4.839 ( -0.028 -0.311 0.000) 0.312 4.916 ( 1.017 -5.335 0.000) 5.431 5.096 ( -1.601 -4.034 0.000) 4.340 5.310 ( 6.884 1.167 0.000) 6.982 5.470 ( 2.260 0.468 0.000) 2.308 5.552 ( -0.731 -0.739 0.000) 1.040======================= Grid point 22 (16/129) =======================q-point: (-0.25 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( -12.923 -1.687 0.000) 13.033 0.649 ( -13.883 2.863 0.000) 14.175 0.983 ( -6.515 2.442 0.000) 6.958 0.994 ( -5.999 -1.776 0.000) 6.257 1.113 ( 0.729 -4.130 0.000) 4.193 1.154 ( -10.424 0.164 0.000) 10.425 1.226 ( -4.263 2.022 0.000) 4.718 1.401 ( -2.126 -3.314 0.000) 3.938 1.516 ( 0.853 0.436 0.000) 0.958 1.519 ( -5.839 -0.015 0.000) 5.839 1.554 ( -0.042 1.313 0.000) 1.314 1.568 ( -5.490 1.456 0.000) 5.680 1.743 ( -5.375 0.394 0.000) 5.390 1.870 ( -7.632 -2.233 0.000) 7.952 1.920 ( -17.082 -0.790 0.000) 17.100 1.958 ( 1.805 2.329 0.000) 2.946 2.096 ( 1.252 0.140 0.000) 1.260 2.988 ( 1.510 0.931 0.000) 1.774 3.438 ( 2.430 0.077 0.000) 2.432 3.589 ( -5.775 0.522 0.000) 5.798 3.627 ( -2.631 -0.221 0.000) 2.640 3.654 ( -10.304 0.185 0.000) 10.306 3.720 ( 2.868 -0.015 0.000) 2.868 3.960 ( 0.179 -0.144 0.000) 0.229 4.033 ( 0.112 -0.246 0.000) 0.270 4.063 ( -1.508 -0.221 0.000) 1.524 4.266 ( 3.602 0.325 0.000) 3.617 4.340 ( -3.946 -0.405 0.000) 3.967 4.453 ( 5.293 -0.799 0.000) 5.353 4.670 ( -0.194 -0.520 0.000) 0.555 4.839 ( -0.100 -0.643 0.000) 0.651 4.919 ( -6.177 -14.268 0.000) 15.548 5.106 ( 1.113 -1.721 0.000) 2.049 5.449 ( 8.731 3.992 0.000) 9.600 5.484 ( -0.779 -1.873 0.000) 2.028 5.574 ( 2.863 1.885 0.000) 3.428======================= Grid point 23 (17/129) =======================q-point: (-0.17 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.305 ( -11.668 3.844 0.000) 12.285 0.346 ( -15.406 3.031 0.000) 15.701 0.659 ( -20.905 11.654 0.000) 23.934 0.897 ( -4.394 -1.130 0.000) 4.537 1.029 ( -2.162 0.240 0.000) 2.175 1.115 ( -5.052 3.139 0.000) 5.948 1.173 ( 3.149 -4.304 0.000) 5.333 1.390 ( -2.167 -2.965 0.000) 3.673 1.423 ( -3.264 -0.564 0.000) 3.312 1.449 ( -8.876 -0.659 0.000) 8.901 1.488 ( -2.945 -0.583 0.000) 3.003 1.545 ( 0.284 0.758 0.000) 0.809 1.576 ( -6.811 -0.875 0.000) 6.867 1.707 ( -4.069 0.402 0.000) 4.089 1.861 ( 1.271 -2.750 0.000) 3.030 2.027 ( 6.567 3.326 0.000) 7.361 2.114 ( 0.644 -0.053 0.000) 0.646 3.018 ( 1.836 0.873 0.000) 2.033 3.460 ( -8.365 0.169 0.000) 8.367 3.468 ( 0.774 0.050 0.000) 0.776 3.477 ( -4.993 0.114 0.000) 4.994 3.590 ( -1.322 -0.497 0.000) 1.412 3.770 ( 1.936 -0.076 0.000) 1.937 3.934 ( -3.263 -2.067 0.000) 3.863 4.010 ( -1.984 -0.048 0.000) 1.985 4.059 ( 0.631 -0.826 0.000) 1.040 4.279 ( -2.778 -1.397 0.000) 3.109 4.324 ( 2.285 0.338 0.000) 2.310 4.483 ( -14.041 -16.030 0.000) 21.310 4.659 ( -1.188 -2.786 0.000) 3.029 4.843 ( 0.092 -0.825 0.000) 0.830 4.850 ( -7.485 -14.936 0.000) 16.707 5.140 ( 1.472 -0.152 0.000) 1.480 5.480 ( -0.575 -2.059 0.000) 2.138 5.605 ( 10.943 7.676 0.000) 13.367 5.615 ( 2.180 2.354 0.000) 3.208======================= Grid point 24 (18/129) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.080 ( 0.000 7.505 0.000) 7.505 0.160 ( 0.000 14.921 0.000) 14.921 0.225 ( 0.000 21.073 0.000) 21.073 0.856 ( -0.000 -0.650 0.000) 0.650 1.012 ( 0.000 1.819 0.000) 1.819 1.042 ( 0.000 1.063 0.000) 1.063 1.277 ( -0.000 -4.488 0.000) 4.488 1.296 ( -0.000 -0.032 0.000) 0.032 1.334 ( -0.000 -0.881 0.000) 0.881 1.449 ( -0.000 -1.176 0.000) 1.176 1.455 ( -0.000 -0.568 0.000) 0.568 1.509 ( -0.000 -0.706 0.000) 0.706 1.544 ( 0.000 0.784 0.000) 0.784 1.679 ( 0.000 0.736 0.000) 0.736 1.892 ( -0.000 -2.276 0.000) 2.276 2.121 ( -0.000 -0.084 0.000) 0.084 2.375 ( -0.000 -2.959 0.000) 2.959 3.037 ( 0.000 0.617 0.000) 0.617 3.371 ( 0.000 0.144 0.000) 0.144 3.382 ( 0.000 0.099 0.000) 0.099 3.423 ( -0.000 -0.075 0.000) 0.075 3.473 ( 0.000 0.042 0.000) 0.042 3.581 ( -0.000 -0.469 0.000) 0.469 3.790 ( -0.000 -0.081 0.000) 0.081 3.970 ( 0.000 0.177 0.000) 0.177 3.989 ( 0.000 0.154 0.000) 0.154 4.076 ( 0.000 0.231 0.000) 0.231 4.271 ( 0.000 0.421 0.000) 0.421 4.345 ( 0.000 0.255 0.000) 0.255 4.666 ( -0.000 -0.981 0.000) 0.981 4.819 ( -0.000 -1.328 0.000) 1.328 4.849 ( -0.000 -0.669 0.000) 0.669 5.155 ( 0.000 0.046 0.000) 0.046 5.485 ( -0.000 -1.679 0.000) 1.679 5.626 ( 0.000 1.976 0.000) 1.976 5.784 ( -0.000 -0.067 0.000) 0.067======================= Grid point 27 (19/129) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( 3.205 0.000 0.000) 3.205 1.068 ( 7.562 0.000 0.000) 7.562 1.103 ( -1.751 -0.000 0.000) 1.751 1.114 ( -0.314 -0.000 0.000) 0.314 1.284 ( -0.254 -0.000 0.000) 0.254 1.298 ( 8.146 0.000 0.000) 8.146 1.435 ( -1.759 -0.000 0.000) 1.759 1.519 ( 3.232 0.000 0.000) 3.232 1.528 ( 0.496 0.000 0.000) 0.496 1.538 ( 2.142 0.000 0.000) 2.142 1.656 ( -0.015 -0.000 0.000) 0.015 1.714 ( -2.915 -0.000 0.000) 2.915 1.788 ( 4.105 0.000 0.000) 4.105 1.795 ( 5.938 0.000 0.000) 5.938 1.989 ( -4.357 -0.000 0.000) 4.357 2.469 ( 13.333 0.000 0.000) 13.333 2.605 ( 13.416 0.000 0.000) 13.416 2.950 ( -0.665 -0.000 0.000) 0.665 3.303 ( -3.401 -0.000 0.000) 3.401 3.645 ( 1.358 0.000 0.000) 1.358 3.676 ( -4.897 -0.000 0.000) 4.897 3.716 ( 1.311 0.000 0.000) 1.311 3.843 ( -1.162 -0.000 0.000) 1.162 3.949 ( 3.659 0.000 0.000) 3.659 4.001 ( 4.297 0.000 0.000) 4.297 4.154 ( -1.293 -0.000 0.000) 1.293 4.160 ( 2.735 0.000 0.000) 2.735 4.349 ( -0.381 -0.000 0.000) 0.381 4.516 ( 2.943 0.000 0.000) 2.943 4.678 ( 0.600 0.000 0.000) 0.600 4.836 ( -0.530 -0.000 0.000) 0.530 4.877 ( -5.172 -0.000 0.000) 5.172 5.129 ( -4.504 -0.000 0.000) 4.504 5.244 ( -0.559 -0.000 0.000) 0.559 5.402 ( -2.680 -0.000 0.000) 2.680 5.600 ( 1.559 0.000 0.000) 1.559======================= Grid point 28 (20/129) =======================q-point: ( 0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( 1.142 0.205 0.000) 1.161 1.064 ( -2.227 -0.204 0.000) 2.237 1.068 ( -3.499 1.323 0.000) 3.740 1.151 ( 1.414 1.068 0.000) 1.772 1.230 ( -4.818 0.981 0.000) 4.917 1.404 ( 1.896 0.309 0.000) 1.921 1.416 ( -0.128 -0.502 0.000) 0.519 1.521 ( -1.518 1.170 0.000) 1.916 1.572 ( 1.075 -0.797 0.000) 1.338 1.582 ( 5.553 0.034 0.000) 5.553 1.688 ( 0.511 -1.351 0.000) 1.444 1.699 ( 3.764 0.160 0.000) 3.767 1.869 ( 3.599 0.990 0.000) 3.733 1.891 ( -5.518 -0.120 0.000) 5.519 1.899 ( 3.896 -2.522 0.000) 4.641 2.667 ( 6.950 -0.042 0.000) 6.950 2.789 ( 5.672 -0.012 0.000) 5.672 2.931 ( -1.179 -0.021 0.000) 1.179 3.252 ( -1.712 -0.027 0.000) 1.713 3.575 ( -3.829 -0.141 0.000) 3.831 3.712 ( 4.870 -0.002 0.000) 4.870 3.730 ( 0.267 -0.009 0.000) 0.267 3.857 ( 1.109 0.076 0.000) 1.112 3.981 ( -0.228 -0.001 0.000) 0.228 4.107 ( 5.520 0.003 0.000) 5.520 4.143 ( -0.048 -0.012 0.000) 0.049 4.214 ( 2.806 -0.076 0.000) 2.807 4.340 ( -0.524 -0.031 0.000) 0.525 4.546 ( 0.280 -0.049 0.000) 0.285 4.692 ( 0.736 0.030 0.000) 0.737 4.781 ( -4.348 0.228 0.000) 4.353 4.825 ( -0.489 -0.003 0.000) 0.489 5.061 ( -2.426 -0.032 0.000) 2.426 5.221 ( -1.558 0.440 0.000) 1.619 5.364 ( -1.196 -0.127 0.000) 1.203 5.618 ( 0.309 0.172 0.000) 0.353======================= Grid point 29 (21/129) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( -3.199 1.593 0.000) 3.574 1.014 ( -1.081 0.758 0.000) 1.320 1.042 ( 1.202 -0.803 0.000) 1.446 1.118 ( -6.246 -1.291 0.000) 6.378 1.139 ( -1.263 0.438 0.000) 1.337 1.409 ( -0.135 0.442 0.000) 0.462 1.427 ( 0.766 -0.383 0.000) 0.857 1.473 ( -3.438 -1.172 0.000) 3.632 1.584 ( -0.488 -1.326 0.000) 1.413 1.668 ( -0.356 -0.008 0.000) 0.356 1.729 ( 3.057 2.035 0.000) 3.672 1.771 ( 3.689 0.649 0.000) 3.746 1.818 ( 0.757 0.005 0.000) 0.757 1.911 ( 1.599 1.722 0.000) 2.350 1.972 ( 2.046 -2.619 0.000) 3.324 2.739 ( 0.728 0.569 0.000) 0.924 2.841 ( 0.103 0.000 0.000) 0.103 2.915 ( -0.369 -0.426 0.000) 0.563 3.237 ( 0.087 -0.003 0.000) 0.087 3.545 ( 0.488 -0.059 0.000) 0.492 3.731 ( -0.021 0.004 0.000) 0.021 3.777 ( 0.016 -0.006 0.000) 0.017 3.866 ( -0.187 0.084 0.000) 0.205 3.967 ( 0.007 0.003 0.000) 0.007 4.144 ( 0.045 -0.001 0.000) 0.045 4.163 ( -0.194 0.003 0.000) 0.194 4.257 ( 0.463 -0.011 0.000) 0.463 4.335 ( 0.116 -0.020 0.000) 0.118 4.547 ( 0.449 -0.016 0.000) 0.449 4.699 ( -0.125 0.060 0.000) 0.139 4.724 ( -1.112 -0.035 0.000) 1.112 4.820 ( 0.025 0.000 0.000) 0.025 5.041 ( 0.377 0.002 0.000) 0.377 5.187 ( -1.711 0.007 0.000) 1.711 5.358 ( 0.505 0.002 0.000) 0.505 5.613 ( -0.661 -0.001 0.000) 0.661======================= Grid point 30 (22/129) =======================q-point: (-0.58 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( -0.207 -1.264 0.000) 1.281 0.986 ( -1.252 -0.263 0.000) 1.279 1.006 ( -6.708 -3.229 0.000) 7.445 1.082 ( 1.911 0.268 0.000) 1.930 1.126 ( -0.308 -2.091 0.000) 2.114 1.397 ( -1.738 0.006 0.000) 1.738 1.402 ( -4.761 -2.216 0.000) 5.252 1.450 ( 1.579 0.569 0.000) 1.678 1.566 ( -2.165 -1.205 0.000) 2.477 1.577 ( -5.803 -0.145 0.000) 5.805 1.761 ( 1.684 3.442 0.000) 3.832 1.835 ( 2.692 0.196 0.000) 2.699 1.906 ( 5.834 0.333 0.000) 5.843 1.915 ( 0.462 3.419 0.000) 3.450 1.995 ( -0.682 -0.140 0.000) 0.696 2.691 ( -5.501 0.921 0.000) 5.578 2.790 ( -5.802 0.034 0.000) 5.802 2.923 ( 0.954 -0.417 0.000) 1.041 3.256 ( 1.879 0.064 0.000) 1.880 3.589 ( 4.068 0.192 0.000) 4.073 3.714 ( -4.657 0.053 0.000) 4.658 3.730 ( -0.268 -0.025 0.000) 0.269 3.853 ( -0.943 0.037 0.000) 0.944 3.981 ( 0.263 0.011 0.000) 0.263 4.107 ( -5.100 -0.014 0.000) 5.100 4.144 ( 0.108 0.030 0.000) 0.112 4.222 ( -3.009 0.164 0.000) 3.013 4.342 ( 0.485 0.025 0.000) 0.486 4.553 ( -0.580 0.137 0.000) 0.596 4.689 ( -0.877 -0.083 0.000) 0.881 4.749 ( 3.223 -0.730 0.000) 3.305 4.826 ( 0.449 0.008 0.000) 0.449 5.074 ( 2.867 0.581 0.000) 2.925 5.158 ( -1.522 -1.582 0.000) 2.195 5.383 ( 2.089 0.424 0.000) 2.132 5.594 ( -1.490 -0.544 0.000) 1.587======================= Grid point 31 (23/129) =======================q-point: (-0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( -7.727 -3.724 0.000) 8.577 0.966 ( -1.279 -0.138 0.000) 1.287 0.988 ( 1.492 -5.037 0.000) 5.254 1.095 ( -0.684 -0.217 0.000) 0.717 1.147 ( 0.902 -3.252 0.000) 3.375 1.289 ( -9.220 -0.127 0.000) 9.221 1.321 ( -4.887 -3.600 0.000) 6.070 1.478 ( 1.725 1.297 0.000) 2.158 1.510 ( -3.994 -0.626 0.000) 4.043 1.527 ( 0.484 -0.211 0.000) 0.528 1.757 ( -0.681 2.722 0.000) 2.805 1.833 ( -2.250 1.630 0.000) 2.779 1.913 ( -0.442 2.879 0.000) 2.913 1.946 ( -2.153 3.564 0.000) 4.164 2.004 ( 4.245 0.450 0.000) 4.269 2.506 ( -13.001 1.249 0.000) 13.061 2.600 ( -13.969 -0.160 0.000) 13.970 2.950 ( 1.501 -0.002 0.000) 1.501 3.308 ( 3.479 0.149 0.000) 3.482 3.650 ( -1.192 0.146 0.000) 1.201 3.685 ( 4.476 0.243 0.000) 4.483 3.717 ( -1.241 0.039 0.000) 1.242 3.849 ( 1.995 0.295 0.000) 2.016 3.951 ( -3.599 0.036 0.000) 3.599 4.007 ( -4.126 0.152 0.000) 4.129 4.156 ( 1.399 0.074 0.000) 1.401 4.161 ( -3.200 0.023 0.000) 3.200 4.348 ( 0.042 -0.055 0.000) 0.069 4.518 ( -2.916 -0.097 0.000) 2.918 4.673 ( -0.616 -0.144 0.000) 0.633 4.823 ( 2.914 -1.885 0.000) 3.470 4.834 ( 0.287 -0.063 0.000) 0.294 5.091 ( -1.893 -1.002 0.000) 2.142 5.191 ( 4.754 -1.283 0.000) 4.924 5.431 ( 3.151 1.055 0.000) 3.323 5.562 ( -2.161 -1.320 0.000) 2.533======================= Grid point 32 (24/129) =======================q-point: (-0.42 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.739 ( -9.009 -1.880 0.000) 9.203 0.907 ( -5.977 2.520 0.000) 6.487 1.026 ( -0.696 -3.657 0.000) 3.722 1.062 ( -3.317 -2.259 0.000) 4.014 1.105 ( -8.110 -2.186 0.000) 8.399 1.190 ( 0.832 -4.022 0.000) 4.107 1.262 ( -3.439 -5.113 0.000) 6.163 1.429 ( -4.337 -0.665 0.000) 4.387 1.503 ( 1.651 1.400 0.000) 2.164 1.552 ( 1.481 0.366 0.000) 1.525 1.680 ( -5.922 2.627 0.000) 6.479 1.771 ( -5.619 5.032 0.000) 7.543 1.798 ( -3.706 1.802 0.000) 4.121 1.935 ( 0.021 1.831 0.000) 1.831 2.064 ( 2.268 0.361 0.000) 2.297 2.194 ( -17.425 1.194 0.000) 17.466 2.274 ( -19.019 -0.573 0.000) 19.028 2.976 ( 1.322 0.603 0.000) 1.453 3.379 ( 3.677 0.162 0.000) 3.681 3.664 ( 2.320 0.187 0.000) 2.328 3.679 ( -2.591 0.019 0.000) 2.591 3.690 ( -3.065 0.534 0.000) 3.111 3.839 ( -7.814 0.071 0.000) 7.815 3.947 ( 3.127 0.714 0.000) 3.207 3.976 ( 3.785 0.257 0.000) 3.794 4.101 ( -2.943 -0.316 0.000) 2.960 4.201 ( 3.240 0.196 0.000) 3.246 4.353 ( 0.774 -0.402 0.000) 0.872 4.447 ( -3.979 -0.040 0.000) 3.979 4.668 ( -0.074 -0.078 0.000) 0.107 4.835 ( -0.219 -0.316 0.000) 0.385 4.849 ( -3.449 -6.792 0.000) 7.618 5.065 ( -0.505 -1.961 0.000) 2.025 5.318 ( 7.834 0.488 0.000) 7.849 5.476 ( 0.969 0.594 0.000) 1.137 5.543 ( 0.650 -0.859 0.000) 1.077======================= Grid point 33 (25/129) =======================q-point: (-0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( -8.883 2.985 0.000) 9.371 0.685 ( -13.677 3.726 0.000) 14.175 0.971 ( -5.913 -2.501 0.000) 6.420 0.998 ( -3.257 0.523 0.000) 3.299 1.066 ( -0.094 -4.608 0.000) 4.609 1.147 ( -7.756 -1.843 0.000) 7.972 1.239 ( -2.028 0.058 0.000) 2.029 1.367 ( -2.561 -2.651 0.000) 3.686 1.523 ( 0.632 0.899 0.000) 1.098 1.529 ( -7.397 1.969 0.000) 7.655 1.566 ( -0.080 0.919 0.000) 0.923 1.591 ( -7.284 2.924 0.000) 7.848 1.748 ( -6.523 0.490 0.000) 6.542 1.844 ( -8.173 -2.717 0.000) 8.612 1.911 ( -17.070 -0.908 0.000) 17.094 1.980 ( 0.269 1.625 0.000) 1.647 2.097 ( 1.112 0.120 0.000) 1.119 2.999 ( 1.639 1.031 0.000) 1.937 3.439 ( 2.386 0.076 0.000) 2.387 3.596 ( -5.839 0.719 0.000) 5.883 3.625 ( -2.831 -0.240 0.000) 2.841 3.656 ( -10.385 0.185 0.000) 10.387 3.720 ( 2.901 0.007 0.000) 2.901 3.961 ( -0.131 0.282 0.000) 0.311 4.028 ( -1.083 -0.791 0.000) 1.341 4.063 ( -0.994 0.208 0.000) 1.015 4.270 ( 3.674 0.364 0.000) 3.691 4.336 ( -3.887 -0.335 0.000) 3.902 4.443 ( 3.510 -1.141 0.000) 3.691 4.655 ( -3.500 -3.137 0.000) 4.699 4.772 ( -7.408 -11.841 0.000) 13.968 4.832 ( -0.354 -0.765 0.000) 0.843 5.096 ( 2.323 -0.535 0.000) 2.384 5.466 ( -1.200 -1.493 0.000) 1.916 5.481 ( 9.588 2.213 0.000) 9.840 5.592 ( 3.506 1.532 0.000) 3.826======================= Grid point 34 (26/129) =======================q-point: (-0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.384 ( -14.511 4.053 0.000) 15.066 0.385 ( -4.549 10.659 0.000) 11.589 0.780 ( -16.652 10.603 0.000) 19.741 0.880 ( -4.337 -2.111 0.000) 4.823 1.038 ( -0.949 1.466 0.000) 1.746 1.120 ( 2.883 -5.435 0.000) 6.152 1.150 ( -5.138 3.434 0.000) 6.180 1.355 ( -1.707 -3.681 0.000) 4.057 1.415 ( -3.533 -0.894 0.000) 3.644 1.443 ( -9.788 -0.518 0.000) 9.802 1.480 ( -3.930 -0.869 0.000) 4.025 1.553 ( 0.252 0.850 0.000) 0.887 1.566 ( -7.032 -1.076 0.000) 7.113 1.710 ( -3.348 0.142 0.000) 3.351 1.828 ( 0.693 -3.444 0.000) 3.513 2.053 ( 8.475 1.375 0.000) 8.586 2.113 ( 0.565 -0.076 0.000) 0.570 3.029 ( 1.850 1.125 0.000) 2.165 3.462 ( -8.326 0.230 0.000) 8.329 3.468 ( 0.784 0.054 0.000) 0.786 3.479 ( -5.255 0.227 0.000) 5.260 3.584 ( -1.523 -0.669 0.000) 1.664 3.769 ( 1.890 -0.096 0.000) 1.892 3.896 ( -9.620 -5.636 0.000) 11.149 4.007 ( -1.888 -0.462 0.000) 1.943 4.046 ( -0.691 -1.346 0.000) 1.513 4.235 ( -13.929 -7.220 0.000) 15.689 4.328 ( 2.307 0.441 0.000) 2.349 4.348 ( -13.707 -5.834 0.000) 14.896 4.620 ( 0.621 -4.630 0.000) 4.672 4.767 ( 1.362 -3.384 0.000) 3.648 4.832 ( -0.076 -1.164 0.000) 1.166 5.139 ( 1.712 -0.019 0.000) 1.713 5.458 ( -0.562 -1.955 0.000) 2.034 5.641 ( 2.338 2.398 0.000) 3.348 5.659 ( 9.984 3.170 0.000) 10.475======================= Grid point 35 (27/129) =======================q-point: (-0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.157 ( 0.000 6.977 0.000) 6.977 0.312 ( 0.000 13.953 0.000) 13.953 0.442 ( 0.000 19.918 0.000) 19.918 0.845 ( -0.000 -1.533 0.000) 1.533 1.039 ( 0.000 3.327 0.000) 3.327 1.058 ( 0.000 2.005 0.000) 2.005 1.216 ( -0.000 -6.622 0.000) 6.622 1.296 ( -0.000 -0.056 0.000) 0.056 1.320 ( -0.000 -1.755 0.000) 1.755 1.430 ( -0.000 -2.318 0.000) 2.318 1.445 ( -0.000 -1.393 0.000) 1.393 1.499 ( -0.000 -0.948 0.000) 0.948 1.553 ( 0.000 0.828 0.000) 0.828 1.688 ( 0.000 0.818 0.000) 0.818 1.859 ( -0.000 -3.831 0.000) 3.831 2.119 ( -0.000 -0.142 0.000) 0.142 2.329 ( -0.000 -5.508 0.000) 5.508 3.046 ( 0.000 1.018 0.000) 1.018 3.373 ( 0.000 0.252 0.000) 0.252 3.383 ( 0.000 0.182 0.000) 0.182 3.422 ( -0.000 -0.138 0.000) 0.138 3.474 ( 0.000 0.070 0.000) 0.070 3.574 ( -0.000 -0.812 0.000) 0.812 3.789 ( -0.000 -0.135 0.000) 0.135 3.972 ( 0.000 0.309 0.000) 0.309 3.991 ( 0.000 0.263 0.000) 0.263 4.080 ( 0.000 0.566 0.000) 0.566 4.278 ( 0.000 0.780 0.000) 0.780 4.349 ( 0.000 0.422 0.000) 0.422 4.648 ( -0.000 -2.451 0.000) 2.451 4.802 ( -0.000 -1.779 0.000) 1.779 4.839 ( -0.000 -1.191 0.000) 1.191 5.156 ( 0.000 0.082 0.000) 0.082 5.464 ( -0.000 -2.062 0.000) 2.062 5.651 ( 0.000 2.611 0.000) 2.611 5.783 ( -0.000 -0.115 0.000) 0.115======================= Grid point 40 (28/129) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( -3.534 -0.000 0.000) 3.534 1.019 ( -2.143 -0.000 0.000) 2.143 1.036 ( 2.284 0.000 0.000) 2.284 1.109 ( -6.978 -0.000 0.000) 6.978 1.142 ( -1.877 -0.000 0.000) 1.877 1.412 ( -0.396 -0.000 0.000) 0.396 1.424 ( 1.125 0.000 0.000) 1.125 1.466 ( -3.733 -0.000 0.000) 3.733 1.576 ( -0.377 -0.000 0.000) 0.377 1.668 ( -0.411 -0.000 0.000) 0.411 1.743 ( 4.227 0.000 0.000) 4.227 1.770 ( 2.879 0.000 0.000) 2.879 1.818 ( 0.874 0.000 0.000) 0.874 1.930 ( 2.184 0.000 0.000) 2.184 1.949 ( 2.316 0.000 0.000) 2.316 2.742 ( 0.865 0.000 0.000) 0.865 2.841 ( 0.119 0.000 0.000) 0.119 2.912 ( -0.447 -0.000 0.000) 0.447 3.237 ( 0.100 0.000 0.000) 0.100 3.544 ( 0.562 0.000 0.000) 0.562 3.731 ( -0.024 -0.000 0.000) 0.024 3.777 ( 0.019 0.000 0.000) 0.019 3.867 ( -0.215 -0.000 0.000) 0.215 3.967 ( 0.008 0.000 0.000) 0.008 4.144 ( 0.052 0.000 0.000) 0.052 4.163 ( -0.224 -0.000 0.000) 0.224 4.257 ( 0.535 0.000 0.000) 0.535 4.335 ( 0.134 0.000 0.000) 0.134 4.547 ( 0.518 0.000 0.000) 0.518 4.700 ( -0.133 -0.000 0.000) 0.133 4.723 ( -1.294 -0.000 0.000) 1.294 4.820 ( 0.029 0.000 0.000) 0.029 5.041 ( 0.436 0.000 0.000) 0.436 5.187 ( -1.976 -0.000 0.000) 1.976 5.358 ( 0.583 0.000 0.000) 0.583 5.613 ( -0.763 -0.000 0.000) 0.763======================= Grid point 41 (29/129) =======================q-point: (-0.67 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( -1.613 -0.054 0.000) 1.614 0.980 ( -6.898 -1.513 0.000) 7.062 0.984 ( -1.413 -0.088 0.000) 1.416 1.084 ( 2.033 0.091 0.000) 2.035 1.111 ( -0.944 -0.744 0.000) 1.202 1.385 ( -4.822 -0.808 0.000) 4.889 1.397 ( -1.785 0.008 0.000) 1.785 1.454 ( 1.874 0.207 0.000) 1.886 1.557 ( -1.874 -0.460 0.000) 1.930 1.576 ( -5.875 -0.058 0.000) 5.875 1.794 ( 1.154 2.586 0.000) 2.832 1.826 ( 2.544 -1.460 0.000) 2.933 1.909 ( 5.884 0.122 0.000) 5.885 1.949 ( 0.807 2.500 0.000) 2.627 1.987 ( 0.648 -1.191 0.000) 1.356 2.698 ( -5.490 0.396 0.000) 5.505 2.791 ( -5.823 0.013 0.000) 5.823 2.920 ( 1.113 -0.192 0.000) 1.129 3.256 ( 1.904 0.023 0.000) 1.904 3.590 ( 4.104 0.058 0.000) 4.104 3.714 ( -4.683 0.023 0.000) 4.683 3.730 ( -0.208 -0.013 0.000) 0.209 3.853 ( -0.914 0.028 0.000) 0.915 3.981 ( 0.268 0.005 0.000) 0.268 4.106 ( -5.048 -0.005 0.000) 5.048 4.145 ( 0.117 0.011 0.000) 0.118 4.224 ( -3.028 0.057 0.000) 3.029 4.342 ( 0.479 0.005 0.000) 0.479 4.554 ( -0.659 0.050 0.000) 0.661 4.688 ( -0.922 -0.031 0.000) 0.923 4.744 ( 3.035 -0.272 0.000) 3.047 4.826 ( 0.443 0.003 0.000) 0.443 5.079 ( 3.469 0.312 0.000) 3.483 5.145 ( -2.490 -0.672 0.000) 2.579 5.386 ( 2.269 0.161 0.000) 2.275 5.590 ( -1.715 -0.205 0.000) 1.727======================= Grid point 42 (30/129) =======================q-point: (-0.58 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.856 ( -6.822 -1.818 0.000) 7.060 0.944 ( 0.460 -3.152 0.000) 3.185 0.964 ( -0.843 -0.085 0.000) 0.847 1.093 ( -1.259 -0.126 0.000) 1.265 1.120 ( 0.988 -1.856 0.000) 2.103 1.288 ( -9.514 -0.045 0.000) 9.514 1.292 ( -5.366 -1.833 0.000) 5.671 1.490 ( 1.961 0.881 0.000) 2.150 1.505 ( -3.682 -0.354 0.000) 3.699 1.524 ( 0.528 -0.279 0.000) 0.597 1.780 ( -1.565 1.558 0.000) 2.208 1.847 ( -0.776 0.830 0.000) 1.136 1.936 ( -1.940 1.434 0.000) 2.412 1.975 ( -1.083 1.930 0.000) 2.214 2.008 ( 4.221 0.261 0.000) 4.229 2.517 ( -12.946 0.777 0.000) 12.970 2.598 ( -14.107 -0.093 0.000) 14.108 2.950 ( 1.751 -0.008 0.000) 1.751 3.309 ( 3.498 0.085 0.000) 3.499 3.651 ( -1.153 0.086 0.000) 1.156 3.687 ( 4.503 0.143 0.000) 4.505 3.717 ( -1.221 0.020 0.000) 1.221 3.852 ( 2.198 0.207 0.000) 2.208 3.951 ( -3.587 0.021 0.000) 3.587 4.008 ( -4.085 0.084 0.000) 4.086 4.157 ( 1.425 0.043 0.000) 1.425 4.161 ( -3.299 0.016 0.000) 3.299 4.347 ( -0.023 -0.036 0.000) 0.043 4.516 ( -3.040 -0.131 0.000) 3.043 4.672 ( -0.584 -0.074 0.000) 0.589 4.806 ( 1.959 -1.171 0.000) 2.283 4.833 ( 0.227 -0.036 0.000) 0.230 5.083 ( -3.208 -0.531 0.000) 3.252 5.180 ( 5.901 -0.688 0.000) 5.941 5.441 ( 3.510 0.743 0.000) 3.587 5.550 ( -2.551 -0.896 0.000) 2.704======================= Grid point 43 (31/129) =======================q-point: (-0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( -5.998 0.918 0.000) 6.068 0.933 ( -3.531 2.412 0.000) 4.276 0.980 ( 0.493 -4.837 0.000) 4.862 1.041 ( -4.275 -1.623 0.000) 4.573 1.082 ( -10.298 -2.159 0.000) 10.522 1.155 ( 0.555 -2.208 0.000) 2.277 1.212 ( -3.489 -4.079 0.000) 5.367 1.425 ( -4.326 -0.098 0.000) 4.327 1.519 ( 1.638 1.415 0.000) 2.165 1.553 ( 1.601 -0.171 0.000) 1.610 1.705 ( -5.385 2.060 0.000) 5.766 1.809 ( -1.869 1.364 0.000) 2.314 1.823 ( -7.777 3.583 0.000) 8.563 1.947 ( -1.916 0.498 0.000) 1.980 2.068 ( 2.195 0.281 0.000) 2.213 2.206 ( -17.488 1.014 0.000) 17.518 2.268 ( -19.240 -0.436 0.000) 19.245 2.981 ( 1.575 0.438 0.000) 1.634 3.381 ( 3.645 0.115 0.000) 3.647 3.666 ( 2.295 0.138 0.000) 2.299 3.679 ( -2.651 0.014 0.000) 2.651 3.695 ( -2.868 0.432 0.000) 2.901 3.840 ( -7.802 0.052 0.000) 7.802 3.957 ( 2.337 0.963 0.000) 2.528 3.978 ( 5.114 0.130 0.000) 5.116 4.098 ( -3.242 -0.286 0.000) 3.254 4.203 ( 3.314 0.142 0.000) 3.317 4.349 ( 0.563 -0.264 0.000) 0.622 4.445 ( -4.182 -0.419 0.000) 4.203 4.668 ( 0.014 0.095 0.000) 0.096 4.783 ( -7.044 -5.428 0.000) 8.893 4.832 ( -0.390 -0.235 0.000) 0.455 5.050 ( 0.406 -0.867 0.000) 0.958 5.321 ( 8.414 0.161 0.000) 8.415 5.482 ( -0.772 0.590 0.000) 0.972 5.534 ( 2.476 -0.780 0.000) 2.596======================= Grid point 44 (32/129) =======================q-point: (-0.42 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( -4.009 7.117 0.000) 8.169 0.726 ( -13.792 3.897 0.000) 14.332 0.944 ( -6.065 -2.598 0.000) 6.598 0.993 ( -1.465 -1.855 0.000) 2.364 1.019 ( -0.401 -4.192 0.000) 4.211 1.118 ( -4.698 -3.105 0.000) 5.631 1.223 ( 0.151 -2.738 0.000) 2.742 1.352 ( -3.156 -0.308 0.000) 3.171 1.534 ( 0.283 1.180 0.000) 1.213 1.556 ( -8.465 2.922 0.000) 8.955 1.573 ( 0.033 0.292 0.000) 0.294 1.627 ( -9.136 3.448 0.000) 9.765 1.753 ( -7.931 0.548 0.000) 7.950 1.815 ( -8.407 -2.635 0.000) 8.810 1.902 ( -17.176 -0.788 0.000) 17.194 1.992 ( -1.187 0.599 0.000) 1.329 2.098 ( 1.014 0.073 0.000) 1.017 3.009 ( 1.748 0.855 0.000) 1.946 3.439 ( 2.336 0.054 0.000) 2.336 3.604 ( -5.862 0.737 0.000) 5.908 3.622 ( -3.014 -0.197 0.000) 3.020 3.658 ( -10.441 0.137 0.000) 10.442 3.720 ( 2.899 0.028 0.000) 2.899 3.966 ( -0.463 0.649 0.000) 0.797 4.018 ( -2.992 -1.016 0.000) 3.160 4.068 ( -0.147 0.750 0.000) 0.764 4.274 ( 3.739 0.305 0.000) 3.751 4.334 ( -4.265 -0.113 0.000) 4.267 4.429 ( 2.655 -1.530 0.000) 3.064 4.580 ( -13.258 -9.640 0.000) 16.392 4.704 ( 0.519 -2.026 0.000) 2.092 4.824 ( -0.618 -0.681 0.000) 0.919 5.092 ( 2.713 -0.282 0.000) 2.727 5.453 ( -1.509 -1.024 0.000) 1.823 5.498 ( 9.997 1.123 0.000) 10.060 5.606 ( 4.047 1.078 0.000) 4.188======================= Grid point 45 (33/129) =======================q-point: (-0.33 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.428 ( -13.869 4.058 0.000) 14.450 0.513 ( -0.826 12.965 0.000) 12.991 0.853 ( -4.405 -3.020 0.000) 5.340 0.872 ( -11.180 6.420 0.000) 12.893 1.059 ( 0.246 2.394 0.000) 2.406 1.064 ( 2.579 -4.823 0.000) 5.469 1.184 ( -4.308 2.764 0.000) 5.118 1.316 ( -1.671 -3.347 0.000) 3.741 1.405 ( -4.729 -1.119 0.000) 4.859 1.439 ( -10.407 -0.309 0.000) 10.411 1.472 ( -5.833 -0.670 0.000) 5.871 1.556 ( -6.907 -0.765 0.000) 6.950 1.562 ( 0.181 0.924 0.000) 0.941 1.709 ( -2.798 -0.320 0.000) 2.816 1.792 ( 0.014 -3.225 0.000) 3.225 2.055 ( 7.795 -1.000 0.000) 7.859 2.112 ( 0.483 -0.081 0.000) 0.490 3.040 ( 1.858 1.051 0.000) 2.135 3.465 ( -8.276 0.229 0.000) 8.279 3.469 ( 0.800 0.035 0.000) 0.801 3.482 ( -5.622 0.346 0.000) 5.632 3.577 ( -1.760 -0.655 0.000) 1.878 3.768 ( 1.834 -0.089 0.000) 1.836 3.819 ( -19.448 -8.002 0.000) 21.030 4.000 ( -1.229 -0.720 0.000) 1.425 4.037 ( -2.226 -0.229 0.000) 2.238 4.176 ( -13.020 -3.198 0.000) 13.407 4.326 ( -4.884 -0.239 0.000) 4.890 4.333 ( 2.327 0.418 0.000) 2.364 4.566 ( 2.368 -5.315 0.000) 5.818 4.748 ( 2.608 -0.816 0.000) 2.733 4.820 ( -0.277 -1.204 0.000) 1.235 5.139 ( 1.840 -0.000 0.000) 1.840 5.440 ( -0.579 -1.476 0.000) 1.586 5.664 ( 2.560 1.963 0.000) 3.226 5.681 ( 8.944 1.343 0.000) 9.044======================= Grid point 46 (34/129) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.226 ( 0.000 6.007 0.000) 6.007 0.451 ( 0.000 12.215 0.000) 12.215 0.641 ( 0.000 17.739 0.000) 17.739 0.822 ( -0.000 -2.676 0.000) 2.676 1.080 ( 0.000 4.303 0.000) 4.303 1.083 ( 0.000 2.724 0.000) 2.724 1.145 ( -0.000 -6.396 0.000) 6.396 1.295 ( -0.000 -0.064 0.000) 0.064 1.297 ( -0.000 -2.559 0.000) 2.559 1.400 ( -0.000 -3.390 0.000) 3.390 1.426 ( -0.000 -2.316 0.000) 2.316 1.490 ( -0.000 -0.668 0.000) 0.668 1.561 ( 0.000 0.809 0.000) 0.809 1.694 ( 0.000 0.292 0.000) 0.292 1.815 ( -0.000 -4.147 0.000) 4.147 2.118 ( -0.000 -0.160 0.000) 0.160 2.262 ( -0.000 -7.170 0.000) 7.170 3.057 ( 0.000 1.101 0.000) 1.101 3.376 ( 0.000 0.295 0.000) 0.295 3.386 ( 0.000 0.232 0.000) 0.232 3.420 ( -0.000 -0.178 0.000) 0.178 3.475 ( 0.000 0.077 0.000) 0.077 3.565 ( -0.000 -0.939 0.000) 0.939 3.787 ( -0.000 -0.151 0.000) 0.151 3.976 ( 0.000 0.361 0.000) 0.361 3.994 ( 0.000 0.296 0.000) 0.296 4.088 ( 0.000 0.992 0.000) 0.992 4.287 ( 0.000 1.054 0.000) 1.054 4.353 ( 0.000 0.459 0.000) 0.459 4.613 ( -0.000 -4.148 0.000) 4.148 4.785 ( -0.000 -1.246 0.000) 1.246 4.825 ( -0.000 -1.425 0.000) 1.425 5.157 ( 0.000 0.102 0.000) 0.102 5.443 ( -0.000 -1.741 0.000) 1.741 5.678 ( 0.000 2.429 0.000) 2.429 5.782 ( -0.000 -0.133 0.000) 0.133======================= Grid point 53 (35/129) =======================q-point: (-0.67 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( -6.184 -0.000 0.000) 6.184 0.927 ( -0.267 -0.000 0.000) 0.267 0.964 ( -0.687 -0.000 0.000) 0.687 1.093 ( -1.468 -0.000 0.000) 1.468 1.110 ( 1.047 0.000 0.000) 1.047 1.282 ( -5.521 -0.000 0.000) 5.521 1.288 ( -9.622 -0.000 0.000) 9.622 1.495 ( 2.145 0.000 0.000) 2.145 1.503 ( -3.553 -0.000 0.000) 3.553 1.522 ( 0.448 0.000 0.000) 0.448 1.789 ( -2.004 -0.000 0.000) 2.004 1.851 ( -0.131 -0.000 0.000) 0.131 1.943 ( -2.342 -0.000 0.000) 2.342 1.985 ( -0.842 -0.000 0.000) 0.842 2.009 ( 4.212 0.000 0.000) 4.212 2.522 ( -12.929 -0.000 0.000) 12.929 2.598 ( -14.159 -0.000 0.000) 14.159 2.950 ( 1.848 0.000 0.000) 1.848 3.310 ( 3.505 0.000 0.000) 3.505 3.652 ( -1.139 -0.000 0.000) 1.139 3.688 ( 4.525 0.000 0.000) 4.525 3.718 ( -1.213 -0.000 0.000) 1.213 3.853 ( 2.277 0.000 0.000) 2.277 3.951 ( -3.583 -0.000 0.000) 3.583 4.009 ( -4.070 -0.000 0.000) 4.070 4.157 ( 1.434 0.000 0.000) 1.434 4.161 ( -3.334 -0.000 0.000) 3.334 4.347 ( -0.044 -0.000 0.000) 0.044 4.516 ( -3.110 -0.000 0.000) 3.110 4.672 ( -0.564 -0.000 0.000) 0.564 4.800 ( 1.575 0.000 0.000) 1.575 4.833 ( 0.205 0.000 0.000) 0.205 5.080 ( -3.653 -0.000 0.000) 3.653 5.177 ( 6.317 0.000 0.000) 6.317 5.445 ( 3.719 0.000 0.000) 3.719 5.545 ( -2.772 -0.000 0.000) 2.772======================= Grid point 55 (36/129) =======================q-point: (-0.58 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( -3.305 1.340 0.000) 3.566 0.936 ( 0.310 -2.792 0.000) 2.809 0.954 ( -0.669 1.188 0.000) 1.363 1.029 ( -5.100 -0.633 0.000) 5.139 1.063 ( -12.739 -1.049 0.000) 12.782 1.143 ( 1.572 -0.352 0.000) 1.610 1.180 ( -4.849 -1.782 0.000) 5.166 1.425 ( -4.197 0.006 0.000) 4.197 1.532 ( 1.752 0.885 0.000) 1.963 1.549 ( 1.539 -0.439 0.000) 1.601 1.721 ( -4.890 0.792 0.000) 4.954 1.817 ( -3.499 0.291 0.000) 3.511 1.853 ( -6.177 1.594 0.000) 6.379 1.948 ( -3.196 -0.068 0.000) 3.197 2.070 ( 2.170 0.107 0.000) 2.172 2.214 ( -17.532 0.396 0.000) 17.537 2.265 ( -19.385 -0.163 0.000) 19.386 2.985 ( 1.716 0.159 0.000) 1.723 3.382 ( 3.625 0.042 0.000) 3.625 3.667 ( 2.279 0.051 0.000) 2.280 3.679 ( -2.685 0.005 0.000) 2.685 3.698 ( -2.756 0.166 0.000) 2.761 3.840 ( -7.794 0.019 0.000) 7.794 3.965 ( 0.189 0.458 0.000) 0.496 3.979 ( 7.885 0.062 0.000) 7.886 4.096 ( -3.533 -0.129 0.000) 3.535 4.204 ( 3.355 0.052 0.000) 3.355 4.347 ( 0.480 -0.091 0.000) 0.488 4.440 ( -4.529 -0.287 0.000) 4.539 4.670 ( 0.347 0.162 0.000) 0.383 4.742 ( -9.140 -2.111 0.000) 9.380 4.831 ( -0.490 -0.087 0.000) 0.498 5.045 ( 0.792 -0.253 0.000) 0.831 5.322 ( 8.691 0.033 0.000) 8.691 5.487 ( -2.540 0.286 0.000) 2.556 5.528 ( 4.294 -0.354 0.000) 4.309======================= Grid point 56 (37/129) =======================q-point: (-0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( 0.278 8.135 0.000) 8.140 0.763 ( -14.505 2.864 0.000) 14.785 0.920 ( -6.418 -1.667 0.000) 6.631 0.953 ( -1.488 -5.443 0.000) 5.643 0.980 ( 0.189 -2.872 0.000) 2.878 1.097 ( -2.699 -0.663 0.000) 2.779 1.191 ( 0.889 -2.827 0.000) 2.964 1.354 ( -2.932 0.327 0.000) 2.950 1.546 ( -0.176 1.083 0.000) 1.097 1.573 ( 0.362 -0.260 0.000) 0.445 1.585 ( -8.709 2.296 0.000) 9.007 1.657 ( -10.135 1.948 0.000) 10.320 1.760 ( -10.491 0.741 0.000) 10.517 1.791 ( -7.124 -1.843 0.000) 7.358 1.895 ( -17.328 -0.458 0.000) 17.334 1.994 ( -2.335 -0.040 0.000) 2.335 2.099 ( 0.962 0.030 0.000) 0.963 3.016 ( 1.814 0.478 0.000) 1.876 3.440 ( 2.294 0.026 0.000) 2.294 3.610 ( -5.831 0.481 0.000) 5.851 3.621 ( -3.141 -0.110 0.000) 3.143 3.659 ( -10.458 0.070 0.000) 10.458 3.721 ( 2.873 0.025 0.000) 2.873 3.973 ( -0.459 0.518 0.000) 0.692 4.009 ( -5.026 -0.661 0.000) 5.069 4.077 ( 0.543 0.909 0.000) 1.059 4.276 ( 3.783 0.172 0.000) 3.786 4.334 ( -5.632 0.173 0.000) 5.634 4.409 ( 3.547 -2.281 0.000) 4.217 4.496 ( -15.179 -5.342 0.000) 16.092 4.695 ( 1.886 -0.294 0.000) 1.908 4.818 ( -0.817 -0.401 0.000) 0.910 5.089 ( 2.882 -0.142 0.000) 2.885 5.445 ( -1.688 -0.517 0.000) 1.765 5.506 ( 10.184 0.466 0.000) 10.195 5.615 ( 4.403 0.557 0.000) 4.438======================= Grid point 57 (38/129) =======================q-point: (-0.42 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.466 ( -13.613 3.040 0.000) 13.948 0.649 ( -0.731 12.301 0.000) 12.323 0.820 ( -4.641 -2.923 0.000) 5.485 0.908 ( -4.497 0.298 0.000) 4.507 1.022 ( 2.487 -3.119 0.000) 3.989 1.086 ( 1.792 2.680 0.000) 3.224 1.200 ( -1.708 -0.232 0.000) 1.724 1.295 ( -3.295 -0.104 0.000) 3.296 1.391 ( -7.251 -1.478 0.000) 7.400 1.436 ( -10.786 -0.150 0.000) 10.787 1.467 ( -7.928 -0.143 0.000) 7.929 1.551 ( -6.675 -0.218 0.000) 6.679 1.572 ( 0.192 0.856 0.000) 0.877 1.704 ( -2.531 -0.568 0.000) 2.594 1.763 ( -0.435 -2.105 0.000) 2.149 2.037 ( 5.932 -2.054 0.000) 6.277 2.111 ( 0.419 -0.063 0.000) 0.423 3.050 ( 1.858 0.725 0.000) 1.994 3.467 ( -8.226 0.167 0.000) 8.228 3.469 ( 0.816 0.012 0.000) 0.817 3.486 ( -6.005 0.376 0.000) 6.017 3.570 ( -1.969 -0.469 0.000) 2.024 3.744 ( -22.992 -5.676 0.000) 23.682 3.768 ( 1.783 -0.062 0.000) 1.784 3.995 ( -0.605 -0.293 0.000) 0.672 4.038 ( -2.970 0.272 0.000) 2.982 4.158 ( -7.998 -0.632 0.000) 8.023 4.329 ( -2.950 0.589 0.000) 3.008 4.336 ( 2.340 0.292 0.000) 2.358 4.512 ( 2.896 -4.555 0.000) 5.398 4.744 ( 2.620 -0.181 0.000) 2.626 4.808 ( -0.457 -0.906 0.000) 1.014 5.139 ( 1.938 0.001 0.000) 1.938 5.428 ( -0.588 -0.890 0.000) 1.067 5.681 ( 2.755 1.273 0.000) 3.035 5.690 ( 8.339 0.556 0.000) 8.357======================= Grid point 58 (39/129) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.282 ( 0.000 4.490 0.000) 4.490 0.567 ( 0.000 9.459 0.000) 9.459 0.789 ( -0.000 -3.394 0.000) 3.394 0.811 ( 0.000 14.093 0.000) 14.093 1.087 ( -0.000 -4.554 0.000) 4.554 1.114 ( 0.000 3.127 0.000) 3.127 1.128 ( 0.000 4.621 0.000) 4.621 1.267 ( -0.000 -3.134 0.000) 3.134 1.295 ( -0.000 -0.056 0.000) 0.056 1.360 ( -0.000 -4.272 0.000) 4.272 1.399 ( -0.000 -2.598 0.000) 2.598 1.485 ( -0.000 -0.340 0.000) 0.340 1.570 ( 0.000 0.872 0.000) 0.872 1.694 ( -0.000 -0.309 0.000) 0.309 1.776 ( -0.000 -3.112 0.000) 3.112 2.116 ( -0.000 -0.137 0.000) 0.137 2.184 ( -0.000 -7.283 0.000) 7.283 3.068 ( 0.000 0.892 0.000) 0.892 3.379 ( 0.000 0.259 0.000) 0.259 3.388 ( 0.000 0.227 0.000) 0.227 3.418 ( -0.000 -0.178 0.000) 0.178 3.476 ( 0.000 0.063 0.000) 0.063 3.555 ( -0.000 -0.813 0.000) 0.813 3.786 ( -0.000 -0.128 0.000) 0.128 3.980 ( 0.000 0.317 0.000) 0.317 3.997 ( 0.000 0.250 0.000) 0.250 4.100 ( 0.000 1.264 0.000) 1.264 4.300 ( 0.000 1.225 0.000) 1.225 4.358 ( 0.000 0.374 0.000) 0.374 4.564 ( -0.000 -4.832 0.000) 4.832 4.776 ( -0.000 -0.571 0.000) 0.571 4.810 ( -0.000 -1.274 0.000) 1.274 5.158 ( 0.000 0.096 0.000) 0.096 5.428 ( -0.000 -1.184 0.000) 1.184 5.701 ( 0.000 1.824 0.000) 1.824 5.781 ( -0.000 -0.115 0.000) 0.115======================= Grid point 67 (40/129) =======================q-point: (-0.58 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.755 ( 3.245 0.000 0.000) 3.245 0.779 ( -15.182 -0.000 0.000) 15.182 0.910 ( -3.109 -0.000 0.000) 3.109 0.911 ( -6.635 -0.000 0.000) 6.635 0.964 ( 0.894 0.000 0.000) 0.894 1.096 ( -1.918 -0.000 0.000) 1.918 1.174 ( 0.975 0.000 0.000) 0.975 1.356 ( -2.757 -0.000 0.000) 2.757 1.553 ( -0.648 -0.000 0.000) 0.648 1.570 ( 0.797 0.000 0.000) 0.797 1.598 ( -8.656 -0.000 0.000) 8.656 1.666 ( -10.337 -0.000 0.000) 10.337 1.766 ( -15.504 -0.000 0.000) 15.504 1.780 ( -2.689 -0.000 0.000) 2.689 1.893 ( -17.400 -0.000 0.000) 17.400 1.993 ( -2.794 -0.000 0.000) 2.794 2.099 ( 0.947 0.000 0.000) 0.947 3.019 ( 1.836 0.000 0.000) 1.836 3.440 ( 2.278 0.000 0.000) 2.278 3.613 ( -5.804 -0.000 0.000) 5.804 3.620 ( -3.186 -0.000 0.000) 3.186 3.659 ( -10.459 -0.000 0.000) 10.459 3.721 ( 2.858 0.000 0.000) 2.858 3.975 ( -0.247 -0.000 0.000) 0.247 4.005 ( -6.063 -0.000 0.000) 6.063 4.083 ( 0.810 0.000 0.000) 0.810 4.277 ( 3.798 0.000 0.000) 3.798 4.336 ( -7.396 -0.000 0.000) 7.396 4.392 ( 4.331 0.000 0.000) 4.331 4.470 ( -14.546 -0.000 0.000) 14.546 4.694 ( 2.054 0.000 0.000) 2.054 4.816 ( -0.891 -0.000 0.000) 0.891 5.089 ( 2.933 0.000 0.000) 2.933 5.442 ( -1.745 -0.000 0.000) 1.745 5.509 ( 10.238 0.000 0.000) 10.238 5.618 ( 4.527 0.000 0.000) 4.527======================= Grid point 69 (41/129) =======================q-point: (-0.50 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.489 ( -13.604 1.138 0.000) 13.651 0.762 ( -5.100 8.164 0.000) 9.626 0.797 ( -4.875 -1.228 0.000) 5.028 0.884 ( 3.669 -4.000 0.000) 5.428 1.000 ( 2.556 -1.068 0.000) 2.770 1.112 ( 3.160 1.854 0.000) 3.663 1.185 ( -0.162 -1.648 0.000) 1.656 1.307 ( -2.893 1.437 0.000) 3.230 1.375 ( -10.932 -1.186 0.000) 10.996 1.435 ( -10.973 -0.043 0.000) 10.973 1.468 ( -9.055 0.077 0.000) 9.055 1.550 ( -6.642 0.011 0.000) 6.642 1.579 ( 0.263 0.379 0.000) 0.462 1.699 ( -2.476 -0.298 0.000) 2.494 1.749 ( -0.582 -0.649 0.000) 0.872 2.019 ( 4.457 -1.064 0.000) 4.582 2.111 ( 0.384 -0.024 0.000) 0.385 3.055 ( 1.856 0.256 0.000) 1.873 3.468 ( -8.200 0.061 0.000) 8.200 3.469 ( 0.831 0.001 0.000) 0.831 3.489 ( -6.255 0.179 0.000) 6.258 3.567 ( -2.091 -0.169 0.000) 2.097 3.704 ( -23.245 -1.961 0.000) 23.328 3.767 ( 1.752 -0.022 0.000) 1.752 3.993 ( -0.371 -0.057 0.000) 0.376 4.041 ( -3.421 0.153 0.000) 3.424 4.156 ( -5.717 -0.029 0.000) 5.717 4.335 ( -2.304 0.440 0.000) 2.345 4.338 ( 2.346 0.104 0.000) 2.348 4.476 ( 2.914 -1.948 0.000) 3.505 4.743 ( 2.564 -0.024 0.000) 2.564 4.802 ( -0.563 -0.336 0.000) 0.656 5.139 ( 1.995 0.001 0.000) 1.995 5.421 ( -0.589 -0.295 0.000) 0.659 5.691 ( 2.865 0.440 0.000) 2.898 5.694 ( 8.074 0.152 0.000) 8.075======================= Grid point 70 (42/129) =======================q-point: (-0.42 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.319 ( 0.000 2.418 0.000) 2.418 0.646 ( 0.000 5.351 0.000) 5.351 0.757 ( -0.000 -2.494 0.000) 2.494 0.931 ( 0.000 8.275 0.000) 8.275 1.051 ( -0.000 -2.232 0.000) 2.232 1.148 ( 0.000 3.029 0.000) 3.029 1.175 ( 0.000 4.104 0.000) 4.104 1.233 ( -0.000 -3.125 0.000) 3.125 1.294 ( -0.000 -0.032 0.000) 0.032 1.313 ( -0.000 -4.342 0.000) 4.342 1.375 ( -0.000 -1.784 0.000) 1.784 1.483 ( -0.000 -0.137 0.000) 0.137 1.579 ( 0.000 0.680 0.000) 0.680 1.689 ( -0.000 -0.463 0.000) 0.463 1.752 ( -0.000 -1.366 0.000) 1.366 2.115 ( -0.000 -0.079 0.000) 0.079 2.117 ( -0.000 -4.950 0.000) 4.950 3.076 ( 0.000 0.490 0.000) 0.490 3.382 ( 0.000 0.151 0.000) 0.151 3.390 ( 0.000 0.147 0.000) 0.147 3.417 ( -0.000 -0.118 0.000) 0.118 3.476 ( 0.000 0.035 0.000) 0.035 3.548 ( -0.000 -0.469 0.000) 0.469 3.785 ( -0.000 -0.073 0.000) 0.073 3.982 ( 0.000 0.185 0.000) 0.185 3.999 ( 0.000 0.141 0.000) 0.141 4.112 ( 0.000 0.966 0.000) 0.966 4.312 ( 0.000 1.056 0.000) 1.056 4.361 ( 0.000 0.206 0.000) 0.206 4.518 ( -0.000 -3.519 0.000) 3.519 4.772 ( -0.000 -0.190 0.000) 0.190 4.799 ( -0.000 -0.751 0.000) 0.751 5.159 ( 0.000 0.059 0.000) 0.059 5.419 ( -0.000 -0.585 0.000) 0.585 5.715 ( 0.000 0.972 0.000) 0.972 5.780 ( -0.000 -0.066 0.000) 0.066======================= Grid point 82 (43/129) =======================q-point: ( 0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.332 ( 0.000 0.000 0.000) 0.000 0.675 ( 0.000 0.000 0.000) 0.000 0.743 ( 0.000 0.000 0.000) 0.000 0.976 ( 0.000 0.000 0.000) 0.000 1.039 ( 0.000 0.000 0.000) 0.000 1.169 ( 0.000 0.000 0.000) 0.000 1.203 ( 0.000 0.000 0.000) 0.000 1.211 ( -0.000 -0.000 0.000) 0.000 1.283 ( 0.000 0.000 0.000) 0.000 1.294 ( 0.000 0.000 0.000) 0.000 1.365 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000======================= Grid point 151 (44/129) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.213 ( 0.000 0.000 10.570) 10.570 0.380 ( 0.000 0.000 16.195) 16.195 0.630 ( 0.000 0.000 12.844) 12.844 0.787 ( 0.000 0.000 1.874) 1.874 0.944 ( 0.000 0.000 -7.706) 7.706 1.124 ( 0.000 0.000 10.081) 10.081 1.202 ( 0.000 0.000 -6.713) 6.713 1.309 ( 0.000 0.000 0.750) 0.750 1.334 ( 0.000 0.000 -0.376) 0.376 1.474 ( 0.000 0.000 1.223) 1.223 1.489 ( 0.000 0.000 3.001) 3.001 1.512 ( 0.000 0.000 -0.153) 0.153 1.579 ( 0.000 0.000 -0.825) 0.825 1.624 ( 0.000 0.000 -4.664) 4.664 1.912 ( 0.000 0.000 0.850) 0.850 1.995 ( 0.000 0.000 -1.608) 1.608 2.219 ( 0.000 0.000 5.860) 5.860 2.848 ( 0.000 0.000 -15.175) 15.175 3.373 ( 0.000 0.000 0.160) 0.160 3.379 ( 0.000 0.000 -0.156) 0.156 3.428 ( 0.000 0.000 0.439) 0.439 3.464 ( 0.000 0.000 -0.742) 0.742 3.810 ( 0.000 0.000 1.767) 1.767 3.970 ( 0.000 0.000 0.161) 0.161 3.979 ( 0.000 0.000 -5.540) 5.540 3.984 ( 0.000 0.000 -0.310) 0.310 4.265 ( 0.000 0.000 3.253) 3.253 4.389 ( 0.000 0.000 7.866) 7.866 4.522 ( 0.000 0.000 -7.832) 7.832 4.663 ( 0.000 0.000 -2.734) 2.734 4.968 ( 0.000 0.000 6.147) 6.147 5.134 ( 0.000 0.000 -1.811) 1.811 5.247 ( 0.000 0.000 -0.086) 0.086 5.344 ( 0.000 0.000 -5.459) 5.459 5.607 ( 0.000 0.000 4.406) 4.406 5.713 ( 0.000 0.000 -0.840) 0.840======================= Grid point 152 (45/129) =======================q-point: ( 0.08 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( 12.591 -0.566 6.619) 14.236 0.508 ( 10.084 -2.950 10.936) 15.165 0.742 ( 7.589 -1.136 -1.549) 7.828 0.899 ( 12.650 -1.247 10.832) 16.701 0.982 ( 3.110 -0.610 -7.788) 8.408 1.141 ( 1.885 -0.142 9.911) 10.089 1.192 ( 0.734 0.402 -2.381) 2.524 1.408 ( 5.554 0.400 -0.583) 5.599 1.416 ( 6.756 0.507 -0.332) 6.783 1.461 ( 0.710 0.726 1.307) 1.655 1.512 ( 1.702 0.202 0.591) 1.813 1.542 ( -1.877 0.097 -0.551) 1.959 1.567 ( 6.530 0.314 -0.406) 6.550 1.667 ( 6.054 -0.237 -3.259) 6.879 1.888 ( -1.665 1.085 0.841) 2.158 1.971 ( -2.181 0.320 -1.671) 2.766 2.204 ( -1.018 -0.834 7.124) 7.245 2.838 ( -0.936 -0.654 -14.441) 14.486 3.461 ( 7.894 -0.039 -0.028) 7.894 3.470 ( 4.270 -0.051 -0.101) 4.271 3.472 ( 1.185 -0.101 0.231) 1.212 3.503 ( 7.075 -0.069 -3.526) 7.905 3.789 ( -2.081 0.055 1.603) 2.628 3.921 ( -2.858 0.085 -3.110) 4.224 4.008 ( 2.100 -0.005 -0.067) 2.102 4.022 ( 2.460 -0.039 -1.349) 2.806 4.267 ( 0.600 0.672 2.452) 2.612 4.424 ( 2.137 0.098 5.419) 5.826 4.497 ( -2.547 0.589 -6.515) 7.020 4.643 ( -1.582 -0.018 -2.528) 2.982 4.949 ( -1.026 1.914 5.923) 6.308 5.127 ( 0.303 4.437 -2.100) 4.918 5.168 ( -4.597 2.857 3.339) 6.360 5.331 ( -1.857 -1.108 -5.958) 6.339 5.599 ( -1.287 -1.520 3.672) 4.177 5.660 ( -4.065 -0.921 1.876) 4.571======================= Grid point 153 (46/129) =======================q-point: ( 0.17 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.632 ( 13.445 2.664 4.576) 14.450 0.730 ( 10.278 -2.638 6.048) 12.214 0.893 ( 7.772 -0.179 -4.561) 9.013 1.040 ( 2.353 0.114 -6.515) 6.928 1.174 ( 7.691 -0.387 1.482) 7.842 1.209 ( 8.391 -0.435 13.722) 16.090 1.234 ( 3.378 -0.655 0.867) 3.549 1.434 ( 1.346 1.570 0.587) 2.150 1.508 ( 0.295 0.700 -0.633) 0.989 1.525 ( 4.863 0.374 0.007) 4.877 1.527 ( 0.503 -0.512 -1.002) 1.232 1.551 ( 3.778 -0.417 -0.606) 3.849 1.751 ( 7.357 0.537 1.576) 7.543 1.875 ( 5.237 1.568 -0.708) 5.513 1.913 ( 14.994 -0.027 -1.041) 15.030 1.924 ( 0.369 -1.473 -1.113) 1.883 2.194 ( -0.532 -0.724 8.257) 8.306 2.827 ( -0.539 -0.937 -13.023) 13.068 3.476 ( -1.045 -0.188 2.775) 2.971 3.561 ( 4.764 -0.169 -1.589) 5.025 3.611 ( 4.149 -0.211 -0.928) 4.257 3.644 ( 9.426 -0.186 -0.817) 9.463 3.735 ( -3.160 0.084 1.310) 3.422 3.872 ( -1.881 0.072 -5.077) 5.414 4.039 ( 0.257 -0.013 0.486) 0.551 4.064 ( 1.618 0.119 -0.254) 1.642 4.292 ( 2.281 0.456 1.991) 3.062 4.415 ( -3.430 1.297 -1.769) 4.071 4.457 ( 0.119 -1.308 4.811) 4.988 4.621 ( -0.677 -0.298 -3.019) 3.108 4.922 ( -0.814 1.484 4.848) 5.135 5.058 ( -3.730 4.441 1.326) 5.949 5.125 ( 0.190 2.513 -1.371) 2.869 5.284 ( -3.670 -1.520 -5.800) 7.030 5.581 ( -0.927 -0.590 2.497) 2.728 5.589 ( -3.439 -0.182 2.874) 4.486======================= Grid point 154 (47/129) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.857 ( 11.199 4.102 3.110) 12.325 0.903 ( 6.124 -0.733 2.467) 6.643 1.030 ( 6.263 1.588 -2.552) 6.947 1.072 ( 1.409 0.720 -3.590) 3.924 1.262 ( 2.897 1.205 2.032) 3.738 1.266 ( 2.781 0.925 3.778) 4.781 1.372 ( 5.051 2.450 3.085) 6.406 1.465 ( 1.947 0.750 0.132) 2.090 1.497 ( -0.252 1.513 0.710) 1.690 1.529 ( -0.088 0.129 -0.568) 0.589 1.635 ( 5.673 -1.309 0.129) 5.824 1.663 ( 6.227 -2.370 -0.991) 6.736 1.772 ( -0.387 -2.024 1.921) 2.817 1.856 ( -3.269 -2.893 -1.095) 4.501 2.126 ( 6.196 -1.519 6.032) 8.780 2.228 ( 10.280 0.200 5.073) 11.465 2.275 ( 18.411 0.193 -0.890) 18.433 2.825 ( -0.234 -0.619 -11.890) 11.908 3.425 ( -4.017 -0.081 3.955) 5.637 3.612 ( -1.372 0.033 -3.416) 3.682 3.678 ( 2.786 -0.095 0.265) 2.800 3.698 ( 0.956 -0.142 1.086) 1.453 3.789 ( 4.533 -0.136 -2.794) 5.326 3.860 ( 0.808 -0.102 -5.265) 5.327 4.010 ( -2.034 -0.072 3.298) 3.876 4.089 ( 1.359 0.136 -0.606) 1.495 4.333 ( 1.720 0.080 5.214) 5.491 4.368 ( -0.628 0.437 0.571) 0.955 4.481 ( 1.839 -0.656 3.942) 4.399 4.616 ( -0.045 -0.134 -3.149) 3.152 4.900 ( -0.823 0.996 3.417) 3.653 4.959 ( -4.685 2.132 0.571) 5.179 5.115 ( 0.165 2.968 -2.248) 3.727 5.212 ( -4.324 -1.504 -4.841) 6.663 5.528 ( -2.633 0.495 3.361) 4.298 5.577 ( 0.490 0.695 1.134) 1.418======================= Grid point 155 (48/129) =======================q-point: ( 0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( 1.466 0.604 0.471) 1.654 0.999 ( 4.891 4.141 0.488) 6.427 1.099 ( 2.410 1.060 0.004) 2.633 1.104 ( 1.786 2.292 0.680) 2.984 1.239 ( -0.910 4.298 1.144) 4.540 1.358 ( 4.985 3.228 -1.070) 6.034 1.433 ( 3.565 2.178 4.193) 5.919 1.466 ( -1.099 -0.356 1.277) 1.722 1.523 ( 2.915 0.986 -0.086) 3.078 1.529 ( 0.877 0.646 -0.105) 1.095 1.703 ( 0.062 -2.680 1.172) 2.926 1.778 ( 4.313 -2.170 -0.931) 4.917 1.810 ( -3.623 -5.378 -0.694) 6.522 1.829 ( 3.313 -3.854 -1.593) 5.326 2.132 ( -1.537 -0.529 11.854) 11.965 2.506 ( 13.140 -0.721 2.059) 13.319 2.592 ( 13.483 0.054 -1.051) 13.524 2.818 ( -0.730 0.044 -11.355) 11.379 3.341 ( -4.188 0.091 3.054) 5.184 3.540 ( -4.538 0.122 -5.336) 7.006 3.719 ( 1.389 0.045 0.466) 1.466 3.743 ( 2.910 0.136 1.587) 3.317 3.823 ( 0.516 -0.013 -1.008) 1.133 3.904 ( 3.635 0.031 -4.535) 5.812 4.010 ( 1.169 -0.178 4.176) 4.340 4.123 ( 2.349 -0.164 -0.948) 2.538 4.362 ( 1.590 0.122 8.514) 8.662 4.369 ( 0.518 0.088 2.561) 2.615 4.521 ( 1.631 -0.147 0.774) 1.811 4.616 ( -0.062 -0.012 -3.344) 3.345 4.845 ( -5.124 1.594 -0.559) 5.395 4.887 ( -1.188 0.198 2.163) 2.475 5.094 ( -1.429 1.084 -1.858) 2.583 5.145 ( -2.715 -0.252 -4.417) 5.191 5.483 ( -1.709 0.750 4.203) 4.598 5.587 ( 0.828 1.143 -0.392) 1.465======================= Grid point 156 (49/129) =======================q-point: ( 0.42 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( -0.155 1.055 -0.179) 1.081 1.018 ( -0.360 1.564 -0.903) 1.841 1.086 ( -1.212 1.650 2.333) 3.105 1.130 ( 0.818 2.245 1.290) 2.715 1.213 ( 0.537 3.544 3.158) 4.777 1.422 ( 3.390 3.297 -3.659) 5.979 1.448 ( -0.622 -0.418 1.813) 1.962 1.474 ( 0.807 0.105 3.797) 3.883 1.567 ( 3.041 0.695 -1.268) 3.368 1.577 ( 2.533 0.353 -1.352) 2.893 1.708 ( -0.268 -1.859 0.893) 2.080 1.758 ( -3.625 -4.096 -0.774) 5.524 1.853 ( 1.498 -2.844 -0.229) 3.222 1.888 ( 1.031 -1.462 -0.891) 1.999 2.110 ( -0.736 -0.460 12.289) 12.320 2.693 ( 5.440 -0.292 1.227) 5.584 2.777 ( 5.580 -0.227 -1.480) 5.777 2.804 ( -0.048 0.294 -10.087) 10.091 3.277 ( -2.196 0.135 2.093) 3.037 3.466 ( -2.689 0.023 -6.129) 6.693 3.734 ( 0.322 0.079 0.544) 0.637 3.810 ( 2.932 0.600 -0.529) 3.039 3.849 ( 3.254 -0.180 3.951) 5.122 3.980 ( 3.463 0.184 -3.796) 5.141 4.014 ( -1.262 -0.215 3.285) 3.526 4.182 ( 3.425 -0.285 -1.807) 3.883 4.371 ( 0.051 0.026 3.014) 3.014 4.402 ( 1.948 0.026 11.609) 11.771 4.542 ( 0.806 -0.060 -0.595) 1.004 4.613 ( -0.172 0.018 -4.109) 4.112 4.733 ( -5.431 0.885 -2.186) 5.921 4.870 ( -0.593 0.105 0.767) 0.976 5.055 ( -1.850 -0.139 -0.756) 2.003 5.111 ( -0.896 0.492 -4.478) 4.594 5.454 ( -0.911 0.505 4.762) 4.875 5.593 ( 0.357 0.776 -1.349) 1.597======================= Grid point 157 (50/129) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 0.000 -0.000 0.338) 0.338 1.004 ( 0.000 -0.000 -0.309) 0.309 1.070 ( 0.000 -0.000 1.814) 1.814 1.124 ( 0.000 -0.000 -0.269) 0.269 1.211 ( 0.000 -0.000 5.208) 5.208 1.436 ( 0.000 -0.000 0.711) 0.711 1.451 ( 0.000 -0.000 -1.149) 1.149 1.484 ( 0.000 -0.000 2.471) 2.471 1.589 ( 0.000 -0.000 -1.627) 1.627 1.613 ( 0.000 -0.000 -4.200) 4.200 1.719 ( 0.000 0.000 -0.044) 0.044 1.724 ( -0.000 -0.000 -0.016) 0.016 1.870 ( -0.000 -0.000 2.344) 2.344 1.899 ( 0.000 -0.000 -0.070) 0.070 2.107 ( 0.000 -0.000 11.009) 11.009 2.733 ( 0.000 -0.000 -2.417) 2.417 2.809 ( 0.000 -0.000 -7.025) 7.025 2.831 ( 0.000 -0.000 -0.887) 0.887 3.256 ( 0.000 -0.000 1.770) 1.770 3.440 ( 0.000 -0.000 -6.148) 6.148 3.736 ( 0.000 -0.000 0.589) 0.589 3.828 ( 0.000 -0.000 -2.791) 2.791 3.927 ( -0.000 -0.000 9.592) 9.592 3.970 ( 0.000 -0.000 0.238) 0.238 4.017 ( 0.000 -0.000 -3.196) 3.196 4.227 ( 0.000 -0.000 -2.813) 2.813 4.371 ( 0.000 -0.000 3.478) 3.478 4.422 ( 0.000 -0.000 11.968) 11.968 4.560 ( 0.000 -0.000 2.587) 2.587 4.611 ( 0.000 -0.000 -4.616) 4.616 4.660 ( 0.000 -0.000 -5.695) 5.695 4.863 ( 0.000 -0.000 0.061) 0.061 5.036 ( 0.000 -0.000 -0.254) 0.254 5.101 ( 0.000 -0.000 -4.407) 4.407 5.444 ( 0.000 -0.000 4.933) 4.933 5.594 ( 0.000 -0.000 -1.665) 1.665======================= Grid point 165 (51/129) =======================q-point: ( 0.08 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.652 ( 14.028 0.000 3.867) 14.552 0.712 ( 10.857 0.000 6.334) 12.570 0.892 ( 8.204 0.000 -4.072) 9.159 1.040 ( 2.640 0.000 -6.982) 7.465 1.171 ( 9.954 0.000 1.166) 10.022 1.207 ( 7.704 0.000 14.238) 16.189 1.230 ( 2.425 0.000 0.629) 2.505 1.443 ( 1.158 0.000 0.331) 1.204 1.513 ( 0.557 0.000 -0.256) 0.613 1.521 ( 0.239 0.000 -0.918) 0.948 1.530 ( 4.645 0.000 -0.058) 4.646 1.550 ( 3.859 0.000 -0.595) 3.904 1.754 ( 7.224 0.000 1.858) 7.459 1.885 ( 5.620 0.000 -0.237) 5.625 1.911 ( 3.620 0.000 -0.844) 3.717 1.915 ( 10.147 0.000 -1.726) 10.293 2.190 ( -0.310 -0.000 8.014) 8.020 2.822 ( -0.418 -0.000 -13.188) 13.194 3.475 ( -1.028 -0.000 2.754) 2.939 3.560 ( 4.757 0.000 -1.563) 5.007 3.610 ( 4.182 0.000 -1.029) 4.306 3.643 ( 9.418 0.000 -0.859) 9.457 3.736 ( -3.171 -0.000 1.328) 3.438 3.872 ( -1.934 -0.000 -5.078) 5.434 4.039 ( 0.234 0.000 0.460) 0.516 4.064 ( 1.672 0.000 -0.301) 1.699 4.294 ( 2.091 0.000 2.123) 2.980 4.424 ( -4.296 -0.000 -2.880) 5.172 4.448 ( 0.799 0.000 5.865) 5.919 4.619 ( -0.618 -0.000 -3.257) 3.315 4.929 ( -1.198 -0.000 5.097) 5.236 5.077 ( -5.138 -0.000 1.583) 5.376 5.146 ( 0.507 0.000 -4.103) 4.134 5.273 ( -3.734 -0.000 -4.756) 6.047 5.577 ( -0.368 -0.000 3.016) 3.039 5.588 ( -3.247 -0.000 2.793) 4.283======================= Grid point 166 (52/129) =======================q-point: ( 0.17 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.888 ( 8.687 1.239 2.713) 9.185 0.900 ( 9.559 0.395 2.519) 9.893 1.040 ( 6.602 0.399 -1.916) 6.886 1.078 ( 1.383 0.329 -3.981) 4.227 1.269 ( 2.069 0.202 1.177) 2.390 1.272 ( 4.611 0.165 4.648) 6.549 1.388 ( 6.243 0.678 2.103) 6.623 1.469 ( 0.782 0.072 -0.244) 0.823 1.512 ( 0.561 0.879 1.249) 1.627 1.532 ( 0.908 0.254 0.002) 0.943 1.629 ( 5.168 -0.067 -0.051) 5.169 1.648 ( 5.797 -0.563 -0.749) 5.872 1.756 ( -1.796 -0.932 2.103) 2.918 1.830 ( -4.742 -1.595 -0.618) 5.041 2.115 ( 6.722 -0.515 5.704) 8.831 2.229 ( 9.730 0.084 5.331) 11.095 2.276 ( 18.562 0.061 -1.103) 18.595 2.821 ( 0.052 -0.227 -11.982) 11.985 3.425 ( -3.939 -0.034 3.992) 5.608 3.612 ( -1.237 0.013 -3.358) 3.578 3.677 ( 2.869 -0.033 0.232) 2.879 3.697 ( 0.899 -0.054 1.208) 1.507 3.788 ( 4.618 -0.042 -2.893) 5.449 3.859 ( 0.785 -0.032 -5.302) 5.360 4.010 ( -2.050 -0.018 3.381) 3.954 4.090 ( 1.257 0.049 -0.617) 1.402 4.333 ( 1.649 0.022 5.422) 5.667 4.371 ( -0.884 0.175 0.585) 1.074 4.476 ( 2.167 -0.263 3.796) 4.379 4.615 ( 0.040 -0.041 -3.328) 3.328 4.907 ( -1.013 0.320 3.847) 3.991 4.974 ( -5.430 0.636 0.401) 5.482 5.145 ( -0.243 2.088 -4.419) 4.894 5.195 ( -4.332 -1.392 -3.741) 5.891 5.532 ( -2.465 0.220 3.725) 4.473 5.582 ( 0.773 0.241 1.224) 1.468======================= Grid point 167 (53/129) =======================q-point: ( 0.25 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( 1.894 0.269 0.624) 2.013 1.034 ( 2.995 2.232 -0.945) 3.853 1.110 ( 2.789 1.354 0.734) 3.185 1.123 ( 2.571 1.047 0.756) 2.877 1.276 ( -0.129 2.509 1.033) 2.717 1.382 ( 5.919 1.206 1.543) 6.235 1.456 ( 2.323 1.805 0.798) 3.048 1.463 ( -0.970 -0.123 1.801) 2.049 1.533 ( 1.998 0.845 0.000) 2.169 1.544 ( 1.193 2.082 0.546) 2.461 1.680 ( -0.138 -1.626 1.351) 2.119 1.748 ( -0.737 -4.322 0.190) 4.389 1.766 ( 1.345 -1.412 -1.596) 2.520 1.791 ( 3.514 -3.079 -1.727) 4.982 2.128 ( -1.341 -0.281 12.041) 12.119 2.501 ( 13.167 -0.378 2.234) 13.360 2.592 ( 13.366 0.031 -1.128) 13.413 2.819 ( -0.475 0.023 -11.306) 11.316 3.342 ( -4.135 0.050 3.202) 5.230 3.541 ( -4.574 0.068 -5.169) 6.902 3.719 ( 1.428 0.038 0.492) 1.511 3.744 ( 3.116 0.063 1.788) 3.593 3.823 ( 0.508 -0.003 -0.989) 1.112 3.905 ( 3.737 0.017 -4.470) 5.826 4.008 ( 1.159 -0.090 4.177) 4.336 4.122 ( 2.233 -0.096 -0.919) 2.417 4.363 ( 1.715 0.078 9.056) 9.217 4.369 ( 0.312 0.029 2.212) 2.234 4.520 ( 1.777 -0.105 0.691) 1.909 4.616 ( -0.029 0.004 -3.446) 3.446 4.859 ( -5.699 0.934 -0.575) 5.803 4.888 ( -1.147 0.039 2.326) 2.594 5.105 ( -2.767 0.902 -1.973) 3.516 5.141 ( -1.733 -0.410 -5.019) 5.325 5.490 ( -1.747 0.508 4.643) 4.986 5.597 ( 0.736 0.632 -0.301) 1.016======================= Grid point 168 (54/129) =======================q-point: ( 0.33 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( -0.276 0.679 -0.307) 0.794 1.032 ( -1.055 1.021 -1.486) 2.089 1.103 ( -1.680 1.627 2.757) 3.616 1.154 ( 0.411 2.124 0.967) 2.369 1.246 ( -1.354 2.622 3.315) 4.438 1.445 ( -0.635 -0.173 2.184) 2.281 1.452 ( 1.489 2.176 -3.807) 4.631 1.475 ( 0.892 0.183 3.779) 3.887 1.570 ( 1.362 -0.484 -1.087) 1.808 1.581 ( 3.220 0.821 -0.825) 3.424 1.697 ( 1.671 -0.346 0.272) 1.728 1.717 ( -1.935 -3.489 -0.129) 3.991 1.826 ( 1.529 -2.178 -0.870) 2.800 1.871 ( 2.710 -1.641 -1.314) 3.430 2.104 ( -0.948 -0.515 13.134) 13.178 2.692 ( 6.113 0.030 1.649) 6.332 2.775 ( 5.209 -0.229 -2.051) 5.603 2.806 ( -0.126 0.096 -9.783) 9.784 3.278 ( -2.229 0.098 2.242) 3.163 3.466 ( -2.744 -0.004 -5.909) 6.515 3.734 ( 0.305 0.063 0.594) 0.671 3.815 ( 2.786 0.448 -0.816) 2.937 3.847 ( 3.409 -0.143 4.510) 5.655 3.982 ( 3.472 0.147 -3.715) 5.087 4.012 ( -1.280 -0.148 3.164) 3.416 4.180 ( 3.481 -0.219 -1.781) 3.916 4.371 ( 0.017 0.017 3.057) 3.058 4.402 ( 1.912 0.009 11.666) 11.821 4.542 ( 0.746 -0.052 -0.465) 0.880 4.614 ( -0.173 0.018 -4.160) 4.164 4.741 ( -5.735 0.641 -2.295) 6.211 4.871 ( -0.647 0.074 0.854) 1.074 5.054 ( -1.925 -0.035 -0.691) 2.046 5.115 ( -1.010 0.284 -4.903) 5.014 5.459 ( -1.144 0.411 5.063) 5.207 5.601 ( 0.025 0.553 -1.279) 1.394======================= Grid point 169 (55/129) =======================q-point: ( 0.42 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( -0.735 0.308 0.113) 0.805 1.006 ( -0.740 0.369 -0.433) 0.934 1.073 ( -0.355 0.630 2.114) 2.234 1.128 ( -1.636 0.601 -0.128) 1.748 1.204 ( -2.389 -1.292 5.100) 5.779 1.434 ( -1.185 -0.502 -0.587) 1.415 1.447 ( -0.518 -0.665 -0.364) 0.918 1.483 ( -0.405 -0.180 2.885) 2.919 1.584 ( -0.276 -0.952 -1.343) 1.669 1.613 ( -0.576 0.024 -4.222) 4.262 1.718 ( 1.107 0.790 0.379) 1.412 1.742 ( 3.227 2.170 -0.579) 3.932 1.862 ( 1.793 -1.182 2.051) 2.970 1.904 ( 0.504 0.700 -0.121) 0.871 2.102 ( 0.181 -0.779 11.352) 11.380 2.738 ( 0.098 0.922 -2.320) 2.498 2.804 ( -0.011 -0.902 -6.994) 7.052 2.832 ( 0.018 0.102 -1.033) 1.039 3.256 ( -0.093 -0.002 1.771) 1.774 3.440 ( 0.003 -0.028 -6.141) 6.141 3.736 ( -0.057 -0.000 0.587) 0.590 3.828 ( -0.307 -0.036 -2.757) 2.774 3.927 ( -0.372 0.047 9.512) 9.519 3.971 ( 0.509 0.041 0.291) 0.588 4.016 ( -0.138 -0.024 -3.215) 3.218 4.227 ( 0.191 -0.009 -2.810) 2.817 4.371 ( 0.000 0.009 3.462) 3.462 4.422 ( -0.001 -0.013 11.987) 11.987 4.560 ( 0.278 -0.017 2.583) 2.598 4.611 ( -0.011 0.024 -4.618) 4.619 4.660 ( -0.732 0.004 -5.689) 5.736 4.863 ( -0.056 -0.002 0.060) 0.082 5.036 ( 0.124 0.004 -0.254) 0.282 5.101 ( -0.305 0.002 -4.408) 4.418 5.444 ( -0.280 0.004 4.933) 4.941 5.594 ( -0.439 -0.000 -1.665) 1.722======================= Grid point 170 (56/129) =======================q-point: (-0.50 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.962 ( -0.191 -1.166 0.122) 1.188 1.001 ( -0.753 -1.418 -0.384) 1.651 1.068 ( -0.561 -1.604 2.430) 2.966 1.111 ( -0.424 -1.312 1.235) 1.851 1.174 ( -1.742 -3.661 2.740) 4.893 1.386 ( -4.492 -3.426 -3.765) 6.789 1.453 ( 0.783 0.497 1.439) 1.712 1.473 ( -0.814 0.003 3.937) 4.020 1.560 ( -3.491 -0.540 -1.465) 3.825 1.570 ( -2.314 -0.875 -1.263) 2.778 1.735 ( 1.381 2.973 1.007) 3.429 1.797 ( 3.610 2.903 -1.296) 4.810 1.885 ( -1.098 3.077 0.156) 3.271 1.901 ( 1.043 1.077 -0.349) 1.540 2.113 ( 0.814 0.036 11.507) 11.536 2.698 ( -5.031 0.737 0.914) 5.166 2.779 ( -5.796 0.149 -1.041) 5.891 2.799 ( 0.092 -0.556 -10.429) 10.445 3.276 ( 2.158 -0.136 1.923) 2.894 3.465 ( 2.629 -0.056 -6.370) 6.892 3.733 ( -0.332 -0.070 0.480) 0.588 3.803 ( -3.035 -0.584 -0.287) 3.104 3.851 ( -3.156 0.158 3.374) 4.623 3.979 ( -3.485 -0.169 -3.923) 5.250 4.017 ( 1.281 0.236 3.464) 3.700 4.185 ( -3.360 0.269 -1.830) 3.836 4.371 ( -0.095 -0.031 2.905) 2.907 4.401 ( -1.998 -0.041 11.603) 11.774 4.543 ( -0.905 0.042 -0.759) 1.182 4.613 ( 0.175 -0.007 -4.038) 4.042 4.723 ( 5.076 -0.891 -2.040) 5.543 4.868 ( 0.526 -0.111 0.665) 0.855 5.057 ( 1.886 0.295 -0.859) 2.093 5.105 ( 0.626 -0.664 -3.939) 4.044 5.449 ( 0.705 -0.434 4.377) 4.454 5.585 ( -0.768 -0.803 -1.424) 1.806======================= Grid point 171 (57/129) =======================q-point: (-0.42 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.953 ( -6.141 -4.369 1.499) 7.684 0.962 ( -0.953 -1.134 0.111) 1.485 1.070 ( -2.015 -3.290 1.495) 4.138 1.096 ( -1.414 -0.296 -0.539) 1.542 1.191 ( 1.090 -4.599 0.963) 4.824 1.318 ( -4.270 -4.135 -2.649) 6.507 1.414 ( -5.009 -1.318 6.038) 7.955 1.471 ( 1.098 0.612 0.637) 1.409 1.516 ( -3.172 -0.561 -0.071) 3.222 1.525 ( -0.671 -0.356 -0.399) 0.859 1.734 ( -0.281 3.020 1.009) 3.196 1.801 ( -3.166 2.212 -0.970) 3.983 1.863 ( 2.389 4.553 -0.901) 5.220 1.869 ( -3.081 3.595 -1.401) 4.937 2.139 ( 1.900 0.688 11.552) 11.727 2.515 ( -13.115 0.943 1.799) 13.271 2.591 ( -13.641 -0.062 -0.942) 13.674 2.818 ( 1.109 -0.059 -11.420) 11.474 3.340 ( 4.256 -0.111 2.848) 5.122 3.539 ( 4.508 -0.145 -5.571) 7.168 3.718 ( -1.326 -0.019 0.409) 1.388 3.741 ( -2.629 -0.192 1.351) 2.962 3.823 ( -0.523 0.024 -1.069) 1.190 3.904 ( -3.497 -0.038 -4.624) 5.798 4.012 ( -1.180 0.244 4.177) 4.347 4.125 ( -2.501 0.186 -0.984) 2.694 4.361 ( -1.533 -0.127 8.048) 8.194 4.367 ( -0.691 -0.157 2.730) 2.820 4.523 ( -1.451 0.095 0.915) 1.718 4.616 ( 0.128 0.056 -3.183) 3.186 4.826 ( 4.397 -1.917 -0.523) 4.825 4.884 ( 1.009 -0.314 1.995) 2.258 5.083 ( 0.265 -0.900 -1.448) 1.725 5.146 ( 3.499 -0.033 -3.851) 5.204 5.475 ( 1.730 -0.636 3.516) 3.970 5.573 ( -0.986 -1.418 -0.494) 1.797======================= Grid point 172 (58/129) =======================q-point: (-0.33 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( -10.311 -3.929 3.546) 11.590 0.913 ( -4.900 1.061 2.108) 5.439 1.007 ( -5.584 -2.683 -3.138) 6.944 1.064 ( -1.836 -0.630 -2.768) 3.381 1.238 ( -0.340 -3.417 0.951) 3.563 1.252 ( -3.405 -1.825 4.045) 5.593 1.339 ( -4.345 -3.681 5.017) 7.590 1.451 ( -3.264 -1.585 0.897) 3.738 1.490 ( 0.990 0.171 -0.282) 1.043 1.530 ( 0.540 0.114 -1.260) 1.376 1.657 ( -5.904 2.607 0.316) 6.462 1.698 ( -6.448 4.184 -1.404) 7.814 1.794 ( -1.338 1.888 1.623) 2.826 1.884 ( 1.221 2.109 -1.681) 2.960 2.146 ( -5.139 2.282 6.594) 8.666 2.225 ( -11.237 -0.203 4.614) 12.150 2.272 ( -18.303 -0.325 -0.602) 18.315 2.833 ( 0.710 0.842 -11.729) 11.780 3.426 ( 4.140 0.085 3.878) 5.673 3.611 ( 1.594 -0.037 -3.538) 3.881 3.679 ( -2.668 0.140 0.315) 2.690 3.700 ( -1.030 0.181 0.865) 1.358 3.791 ( -4.370 0.242 -2.619) 5.100 3.861 ( -0.803 0.180 -5.213) 5.278 4.011 ( 2.041 0.170 3.149) 3.757 4.087 ( -1.549 -0.198 -0.585) 1.668 4.331 ( -1.849 -0.166 4.841) 5.185 4.362 ( 0.279 -0.529 0.522) 0.794 4.489 ( -1.365 0.769 4.246) 4.526 4.618 ( 0.197 0.256 -2.836) 2.855 4.884 ( 0.364 -2.252 2.423) 3.327 4.930 ( 2.702 -3.107 1.541) 4.397 5.088 ( -0.213 -2.145 -0.402) 2.193 5.225 ( 4.523 1.038 -5.296) 7.041 5.523 ( 2.889 -0.447 2.772) 4.029 5.568 ( 0.013 -1.039 0.983) 1.430======================= Grid point 173 (59/129) =======================q-point: (-0.25 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.611 ( -11.441 -0.980 5.222) 12.614 0.761 ( -9.040 3.110 5.741) 11.152 0.893 ( -6.660 -0.254 -5.067) 8.373 1.036 ( -1.735 -0.669 -5.157) 5.482 1.174 ( -4.290 -0.474 3.708) 5.691 1.215 ( -8.506 0.361 11.276) 14.129 1.240 ( -3.906 0.146 0.679) 3.967 1.412 ( -1.742 -2.407 1.437) 3.300 1.501 ( -0.590 -0.364 -1.330) 1.500 1.522 ( -5.098 0.144 0.063) 5.101 1.535 ( -1.371 0.714 -1.322) 2.034 1.561 ( -3.871 1.610 -0.687) 4.249 1.745 ( -7.827 -0.486 0.947) 7.899 1.854 ( -6.065 -2.355 -1.172) 6.611 1.911 ( -15.731 -0.261 -0.602) 15.744 1.940 ( -1.633 1.381 -1.259) 2.482 2.204 ( 1.051 1.271 8.886) 9.038 2.841 ( 0.847 1.557 -12.595) 12.719 3.479 ( 1.085 0.285 2.818) 3.033 3.563 ( -4.783 0.305 -1.677) 5.078 3.614 ( -4.070 0.344 -0.653) 4.136 3.647 ( -9.427 0.308 -0.712) 9.458 3.734 ( 3.118 -0.081 1.276) 3.370 3.871 ( 1.739 -0.034 -5.091) 5.380 4.039 ( -0.403 0.017 0.602) 0.724 4.062 ( -1.404 -0.144 -0.139) 1.418 4.285 ( -2.803 -0.797 1.657) 3.352 4.400 ( 2.875 -1.431 -1.621) 3.597 4.471 ( -0.111 1.343 4.764) 4.951 4.625 ( 0.762 0.462 -2.316) 2.481 4.894 ( -0.916 -4.249 4.349) 6.148 4.988 ( 0.399 -7.397 3.156) 8.052 5.110 ( 1.904 -0.534 0.868) 2.160 5.297 ( 3.328 1.034 -6.645) 7.503 5.589 ( 2.243 0.838 1.332) 2.740 5.591 ( 3.824 0.259 3.121) 4.942======================= Grid point 174 (60/129) =======================q-point: (-0.17 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.405 ( -8.074 4.418 7.536) 11.895 0.557 ( -8.936 5.655 9.866) 14.462 0.762 ( -6.559 2.387 -3.899) 7.995 0.925 ( -13.085 3.678 11.773) 17.982 0.994 ( -2.637 1.462 -6.855) 7.489 1.144 ( -1.467 0.208 9.336) 9.453 1.185 ( -1.179 -0.792 -1.139) 1.820 1.395 ( -4.224 -2.209 0.362) 4.781 1.412 ( -6.891 -0.257 -0.838) 6.947 1.447 ( -1.723 -1.776 1.005) 2.671 1.508 ( -2.501 -0.433 0.723) 2.640 1.540 ( 0.595 -0.428 -1.224) 1.427 1.562 ( -6.244 -0.539 -0.257) 6.273 1.671 ( -4.878 0.341 -3.434) 5.976 1.867 ( 1.134 -2.896 0.752) 3.200 1.965 ( 1.838 -0.976 -2.946) 3.607 2.220 ( 1.452 1.962 7.671) 8.050 2.851 ( 1.028 1.702 -13.916) 14.057 3.461 ( -7.615 0.076 -0.089) 7.616 3.472 ( -4.517 0.179 -0.005) 4.521 3.474 ( -1.283 0.245 0.290) 1.338 3.505 ( -7.304 0.165 -3.385) 8.052 3.788 ( 2.092 -0.108 1.632) 2.655 3.920 ( 2.914 -0.200 -3.082) 4.246 4.008 ( -2.016 -0.036 0.042) 2.017 4.023 ( -2.414 0.157 -1.110) 2.662 4.252 ( -1.267 -2.150 2.665) 3.651 4.421 ( -2.479 -0.372 4.524) 5.172 4.484 ( 1.673 -1.942 -4.618) 5.282 4.642 ( 1.065 -0.114 -0.828) 1.354 4.902 ( -1.127 -7.405 6.945) 10.214 5.037 ( 0.384 -8.917 4.515) 10.003 5.157 ( 2.483 -0.083 2.564) 3.570 5.340 ( 1.546 0.486 -6.710) 6.903 5.621 ( 1.883 2.371 1.779) 3.512 5.676 ( 4.981 1.915 1.333) 5.500======================= Grid point 175 (61/129) =======================q-point: (-0.08 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.282 ( 0.000 11.266 7.402) 13.480 0.410 ( 0.000 5.503 14.846) 15.833 0.643 ( 0.000 2.537 11.245) 11.527 0.795 ( 0.000 1.510 3.646) 3.946 0.952 ( 0.000 1.488 -7.519) 7.665 1.126 ( 0.000 0.560 9.865) 9.881 1.199 ( -0.000 -0.563 -6.208) 6.234 1.307 ( -0.000 -0.221 0.684) 0.719 1.330 ( -0.000 -0.773 -0.327) 0.839 1.471 ( -0.000 -0.678 1.174) 1.355 1.475 ( -0.000 -2.418 3.170) 3.987 1.507 ( -0.000 -0.777 -0.175) 0.796 1.564 ( -0.000 -1.719 -1.353) 2.187 1.641 ( 0.000 2.023 -4.089) 4.562 1.897 ( -0.000 -2.601 0.726) 2.700 1.991 ( -0.000 -0.635 -3.186) 3.249 2.231 ( 0.000 2.122 5.801) 6.177 2.855 ( 0.000 1.319 -14.844) 14.903 3.374 ( 0.000 0.120 0.150) 0.193 3.380 ( 0.000 0.100 -0.156) 0.185 3.427 ( -0.000 -0.035 0.455) 0.457 3.465 ( 0.000 0.045 -0.742) 0.743 3.810 ( -0.000 -0.079 1.837) 1.838 3.971 ( 0.000 0.164 0.156) 0.226 3.979 ( -0.000 -0.018 -5.595) 5.595 3.985 ( 0.000 0.149 -0.312) 0.346 4.253 ( -0.000 -2.384 4.116) 4.757 4.383 ( -0.000 -1.249 8.390) 8.483 4.513 ( -0.000 -1.840 -6.956) 7.196 4.658 ( -0.000 -0.807 -0.990) 1.278 4.933 ( -0.000 -7.162 7.678) 10.500 5.089 ( -0.000 -8.640 2.366) 8.958 5.197 ( -0.000 -3.664 4.616) 5.893 5.353 ( 0.000 0.519 -6.605) 6.626 5.627 ( 0.000 2.733 2.281) 3.560 5.729 ( 0.000 2.386 -1.609) 2.878======================= Grid point 178 (62/129) =======================q-point: ( 0.17 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( 2.057 0.000 0.666) 2.162 1.045 ( 2.023 0.000 -1.647) 2.608 1.122 ( 4.185 0.000 1.153) 4.341 1.125 ( 1.753 0.000 0.871) 1.958 1.289 ( 0.389 0.000 0.925) 1.003 1.387 ( 6.204 0.000 2.523) 6.697 1.462 ( -0.824 -0.000 1.973) 2.138 1.465 ( 1.989 0.000 -0.554) 2.065 1.539 ( 1.425 0.000 0.192) 1.438 1.559 ( 1.522 0.000 0.701) 1.676 1.672 ( -0.376 -0.000 1.447) 1.496 1.718 ( -2.873 -0.000 0.337) 2.892 1.765 ( 2.997 0.000 -1.833) 3.513 1.769 ( 3.971 0.000 -1.579) 4.273 2.127 ( -1.283 -0.000 12.105) 12.173 2.499 ( 13.178 0.000 2.295) 13.377 2.593 ( 13.323 0.000 -1.155) 13.373 2.819 ( -0.387 -0.000 -11.288) 11.295 3.342 ( -4.115 -0.000 3.256) 5.247 3.542 ( -4.589 -0.000 -5.109) 6.868 3.719 ( 1.440 0.000 0.499) 1.524 3.744 ( 3.192 0.000 1.869) 3.698 3.823 ( 0.505 0.000 -0.988) 1.109 3.905 ( 3.774 0.000 -4.446) 5.832 4.008 ( 1.155 0.000 4.178) 4.335 4.121 ( 2.190 0.000 -0.908) 2.371 4.364 ( 1.791 0.000 9.336) 9.506 4.369 ( 0.207 0.000 1.998) 2.008 4.519 ( 1.833 0.000 0.662) 1.949 4.616 ( -0.020 -0.000 -3.479) 3.479 4.864 ( -6.013 -0.000 -0.618) 6.044 4.888 ( -1.002 -0.000 2.433) 2.632 5.110 ( -3.662 -0.000 -1.806) 4.083 5.138 ( -0.983 -0.000 -5.447) 5.535 5.493 ( -1.772 -0.000 4.790) 5.107 5.600 ( 0.706 0.000 -0.265) 0.755======================= Grid point 179 (63/129) =======================q-point: ( 0.25 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( -0.314 0.236 -0.347) 0.524 1.039 ( -1.337 0.307 -1.667) 2.159 1.117 ( -1.699 0.774 2.879) 3.432 1.170 ( 0.170 0.813 0.792) 1.147 1.266 ( -2.900 1.024 3.257) 4.479 1.444 ( -0.776 0.011 2.511) 2.628 1.466 ( -0.271 0.655 -4.013) 4.075 1.477 ( 0.993 0.104 3.784) 3.914 1.563 ( 0.862 -0.534 -0.749) 1.260 1.590 ( 2.378 0.577 -0.495) 2.496 1.691 ( 0.570 -1.287 0.200) 1.422 1.697 ( 3.098 0.052 -0.168) 3.103 1.810 ( 1.372 -0.813 -1.418) 2.134 1.856 ( 3.720 -0.824 -1.470) 4.084 2.100 ( -1.173 -0.216 13.660) 13.712 2.692 ( 6.657 0.062 1.966) 6.942 2.773 ( 4.871 -0.103 -2.501) 5.477 2.806 ( -0.197 0.015 -9.574) 9.576 3.279 ( -2.248 0.036 2.328) 3.237 3.466 ( -2.778 -0.006 -5.777) 6.410 3.735 ( 0.292 0.024 0.621) 0.687 3.819 ( 2.657 0.165 -1.035) 2.857 3.846 ( 3.548 -0.054 4.877) 6.032 3.983 ( 3.497 0.057 -3.689) 5.083 4.011 ( -1.313 -0.053 3.116) 3.381 4.178 ( 3.513 -0.083 -1.764) 3.932 4.371 ( -0.001 0.006 3.062) 3.062 4.402 ( 1.892 0.002 11.719) 11.871 4.541 ( 0.719 -0.020 -0.394) 0.820 4.614 ( -0.173 0.008 -4.187) 4.191 4.746 ( -5.909 0.233 -2.350) 6.363 4.871 ( -0.676 0.026 0.904) 1.129 5.054 ( -1.999 -0.001 -0.660) 2.105 5.117 ( -1.039 0.090 -5.134) 5.239 5.462 ( -1.300 0.159 5.223) 5.385 5.605 ( -0.159 0.200 -1.237) 1.263======================= Grid point 180 (64/129) =======================q-point: ( 0.33 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( -1.098 0.284 -0.296) 1.172 1.010 ( -1.190 0.277 -0.695) 1.406 1.083 ( -0.666 1.183 2.687) 3.011 1.134 ( -3.026 0.407 0.293) 3.068 1.188 ( -4.156 -1.454 4.773) 6.494 1.424 ( -3.345 -1.184 -3.112) 4.719 1.443 ( 0.418 -0.130 1.515) 1.577 1.481 ( -0.305 -0.045 3.324) 3.338 1.573 ( -0.228 -0.868 -0.905) 1.274 1.614 ( -0.941 0.081 -4.198) 4.303 1.733 ( 3.092 1.672 0.336) 3.531 1.761 ( 3.411 1.161 -0.698) 3.670 1.849 ( 2.676 -1.087 1.778) 3.392 1.911 ( 1.734 0.590 -0.745) 1.977 2.093 ( 0.161 -0.848 12.174) 12.205 2.751 ( 0.272 1.453 -1.589) 2.170 2.791 ( -0.123 -1.398 -7.660) 7.787 2.833 ( 0.038 0.065 -1.133) 1.136 3.256 ( -0.161 -0.002 1.773) 1.781 3.440 ( 0.005 -0.028 -6.127) 6.127 3.736 ( -0.099 -0.000 0.583) 0.592 3.827 ( -0.526 -0.036 -2.690) 2.741 3.928 ( -0.656 0.046 9.353) 9.376 3.971 ( 0.894 0.041 0.398) 0.980 4.016 ( -0.243 -0.024 -3.255) 3.264 4.227 ( 0.331 -0.009 -2.804) 2.824 4.371 ( -0.000 0.009 3.431) 3.431 4.422 ( -0.003 -0.013 12.025) 12.025 4.559 ( 0.481 -0.017 2.577) 2.621 4.611 ( -0.019 0.024 -4.624) 4.624 4.660 ( -1.266 0.004 -5.678) 5.817 4.863 ( -0.096 -0.002 0.058) 0.112 5.036 ( 0.215 0.004 -0.253) 0.332 5.102 ( -0.529 0.002 -4.410) 4.441 5.444 ( -0.485 0.004 4.933) 4.957 5.594 ( -0.761 -0.000 -1.663) 1.829======================= Grid point 181 (65/129) =======================q-point: (-0.58 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( -0.844 -0.735 0.403) 1.189 0.989 ( -2.065 -0.977 -0.129) 2.288 1.053 ( -2.595 -1.221 3.300) 4.372 1.102 ( 0.394 -0.477 0.877) 1.073 1.139 ( -2.105 -2.776 2.080) 4.057 1.353 ( -4.816 -2.597 -4.029) 6.795 1.458 ( 1.022 0.386 1.047) 1.513 1.473 ( -0.913 0.066 4.204) 4.302 1.556 ( -3.512 -0.330 -1.494) 3.830 1.561 ( -2.198 -0.781 -1.013) 2.543 1.767 ( 1.591 2.994 0.685) 3.459 1.817 ( 2.680 0.893 -1.181) 3.062 1.905 ( 1.498 0.639 0.100) 1.632 1.921 ( 0.922 2.774 -0.143) 2.927 2.111 ( 1.239 -0.412 11.154) 11.230 2.707 ( -5.097 0.944 0.930) 5.266 2.780 ( -5.688 0.016 -0.998) 5.775 2.793 ( 0.231 -0.647 -10.709) 10.731 3.274 ( 2.125 -0.100 1.776) 2.772 3.465 ( 2.582 -0.063 -6.567) 7.056 3.732 ( -0.333 -0.046 0.418) 0.536 3.798 ( -3.095 -0.417 -0.125) 3.126 3.852 ( -3.113 0.102 2.905) 4.260 3.977 ( -3.520 -0.117 -4.052) 5.368 4.019 ( 1.319 0.189 3.636) 3.873 4.188 ( -3.304 0.187 -1.843) 3.788 4.370 ( -0.136 -0.027 2.758) 2.762 4.401 ( -2.048 -0.040 11.650) 11.829 4.543 ( -1.027 0.015 -0.916) 1.376 4.613 ( 0.185 0.004 -3.965) 3.970 4.715 ( 4.767 -0.654 -1.897) 5.172 4.867 ( 0.464 -0.084 0.575) 0.744 5.061 ( 2.157 0.408 -0.992) 2.409 5.098 ( 0.134 -0.690 -3.412) 3.484 5.445 ( 0.591 -0.269 4.011) 4.063 5.577 ( -1.152 -0.608 -1.484) 1.975======================= Grid point 182 (66/129) =======================q-point: (-0.50 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.911 ( -6.611 -3.405 1.976) 7.695 0.947 ( -0.643 -1.678 -0.219) 1.811 1.038 ( -1.438 -2.519 2.667) 3.941 1.093 ( -1.719 -0.220 -0.753) 1.889 1.146 ( 0.913 -3.682 0.560) 3.835 1.278 ( -4.184 -3.270 -3.024) 6.111 1.404 ( -5.886 -0.734 6.348) 8.688 1.478 ( 1.144 0.664 0.066) 1.324 1.511 ( -3.385 -0.396 0.048) 3.409 1.521 ( -0.215 -0.354 -0.505) 0.653 1.764 ( -0.651 2.598 0.869) 2.816 1.822 ( -1.851 1.691 -0.913) 2.668 1.902 ( -2.008 2.705 -1.541) 3.705 1.904 ( 0.143 3.072 -0.767) 3.170 2.146 ( 2.386 0.671 11.172) 11.444 2.525 ( -13.102 0.920 1.515) 13.222 2.591 ( -13.800 -0.054 -0.827) 13.825 2.817 ( 1.532 -0.061 -11.482) 11.584 3.339 ( 4.317 -0.102 2.639) 5.061 3.537 ( 4.500 -0.128 -5.815) 7.354 3.718 ( -1.254 0.013 0.332) 1.297 3.739 ( -2.351 -0.194 1.157) 2.628 3.823 ( -0.515 0.023 -1.169) 1.278 3.904 ( -3.363 -0.035 -4.715) 5.791 4.015 ( -1.185 0.249 4.178) 4.350 4.127 ( -2.645 0.157 -1.018) 2.839 4.360 ( -1.585 -0.094 7.844) 8.003 4.365 ( -0.765 -0.192 2.591) 2.708 4.523 ( -1.300 -0.006 1.109) 1.708 4.617 ( 0.231 0.102 -3.000) 3.011 4.807 ( 3.529 -1.757 -0.404) 3.963 4.881 ( 0.771 -0.307 1.820) 2.000 5.075 ( -0.662 -0.580 -0.995) 1.329 5.145 ( 4.167 -0.209 -3.350) 5.351 5.470 ( 1.856 -0.310 2.730) 3.316 5.558 ( -1.209 -1.355 -0.557) 1.900======================= Grid point 183 (67/129) =======================q-point: (-0.42 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( -8.419 -2.178 3.529) 9.385 0.922 ( -3.191 0.509 1.244) 3.462 0.979 ( -5.359 -2.160 -2.815) 6.427 1.057 ( -2.123 -0.946 -1.736) 2.901 1.195 ( 0.738 -4.432 0.808) 4.565 1.227 ( -2.742 -2.817 2.041) 4.430 1.301 ( -5.076 -3.149 8.010) 9.992 1.439 ( -3.767 -0.740 0.990) 3.964 1.496 ( 1.018 0.699 -0.876) 1.514 1.530 ( 0.676 -0.071 -1.772) 1.897 1.687 ( -5.681 3.090 0.661) 6.500 1.746 ( -5.719 4.756 -1.761) 7.644 1.810 ( -3.177 1.209 1.203) 3.606 1.898 ( -0.844 0.678 -2.151) 2.408 2.172 ( -3.515 2.402 7.389) 8.528 2.224 ( -12.677 -0.104 3.895) 13.262 2.268 ( -18.406 -0.400 -0.380) 18.415 2.842 ( 1.232 0.838 -11.540) 11.636 3.427 ( 4.263 0.058 3.770) 5.691 3.611 ( 1.831 -0.025 -3.709) 4.136 3.681 ( -2.565 0.151 0.365) 2.595 3.702 ( -1.092 0.166 0.595) 1.254 3.794 ( -4.158 0.314 -2.415) 4.819 3.864 ( -0.719 0.231 -5.178) 5.232 4.014 ( 2.140 0.294 2.943) 3.651 4.085 ( -1.803 -0.225 -0.556) 1.900 4.329 ( -2.016 -0.264 4.395) 4.842 4.357 ( -0.052 -0.476 0.423) 0.639 4.497 ( -0.891 0.630 4.708) 4.833 4.622 ( 0.403 0.407 -2.484) 2.549 4.848 ( -1.207 -4.413 1.782) 4.910 4.903 ( 0.930 -1.786 2.790) 3.440 5.070 ( 0.337 -1.180 0.661) 1.394 5.234 ( 4.715 0.657 -5.440) 7.229 5.519 ( 3.058 -0.158 2.137) 3.733 5.556 ( 0.675 -1.195 0.838) 1.608======================= Grid point 184 (68/129) =======================q-point: (-0.33 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.617 ( -7.943 2.239 4.978) 9.638 0.795 ( -7.876 3.357 4.980) 9.904 0.888 ( -5.225 -0.812 -4.720) 7.088 1.028 ( -1.293 -0.862 -3.281) 3.631 1.164 ( -2.957 -1.437 5.052) 6.028 1.207 ( -6.733 -2.065 10.259) 12.443 1.233 ( -2.110 -1.587 -0.461) 2.680 1.388 ( -2.051 -1.836 2.354) 3.622 1.503 ( -0.701 0.668 -1.870) 2.106 1.528 ( -3.938 0.773 -0.881) 4.109 1.546 ( -4.438 1.741 -0.671) 4.814 1.586 ( -5.229 3.031 -0.792) 6.096 1.741 ( -8.338 -0.349 0.300) 8.351 1.827 ( -7.070 -2.777 -1.367) 7.718 1.907 ( -15.866 -0.483 -0.189) 15.874 1.950 ( -3.799 0.422 -1.705) 4.185 2.219 ( 1.554 1.460 9.664) 9.897 2.858 ( 1.213 1.703 -12.054) 12.234 3.482 ( 1.135 0.268 2.841) 3.071 3.567 ( -4.801 0.372 -1.842) 5.156 3.618 ( -3.986 0.357 -0.287) 4.012 3.650 ( -9.361 0.319 -0.601) 9.386 3.734 ( 3.013 0.026 1.272) 3.270 3.872 ( 1.553 0.122 -5.157) 5.387 4.039 ( -0.887 -0.068 0.899) 1.265 4.061 ( -0.866 0.065 -0.069) 0.871 4.275 ( -3.549 -0.998 1.246) 3.892 4.385 ( 2.418 -1.400 -1.944) 3.404 4.484 ( -0.566 1.060 5.060) 5.201 4.629 ( 0.590 0.397 -1.008) 1.234 4.824 ( -4.028 -8.497 5.577) 10.932 4.929 ( 0.511 -3.593 4.220) 5.565 5.107 ( 2.670 -0.198 1.395) 3.019 5.306 ( 2.879 0.542 -6.769) 7.376 5.593 ( 4.797 0.181 2.690) 5.502 5.598 ( 3.097 0.882 0.938) 3.354======================= Grid point 185 (69/129) =======================q-point: (-0.25 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.475 ( -2.992 8.547 6.570) 11.188 0.619 ( -7.093 5.912 9.308) 13.111 0.787 ( -5.028 2.029 -4.791) 7.236 0.970 ( -12.014 4.240 10.168) 16.300 1.011 ( -2.114 1.940 -3.618) 4.618 1.141 ( -0.541 -0.786 7.607) 7.666 1.182 ( -2.312 0.454 1.049) 2.580 1.366 ( -3.311 -3.004 1.227) 4.636 1.409 ( -7.078 -0.379 -1.129) 7.178 1.427 ( -2.847 -2.028 0.596) 3.546 1.504 ( -3.839 -0.376 0.942) 3.971 1.534 ( -1.431 -0.624 -1.981) 2.522 1.558 ( -5.166 -0.181 -0.202) 5.173 1.673 ( -3.675 -0.027 -3.690) 5.208 1.830 ( 0.213 -3.823 0.593) 3.874 1.950 ( 1.345 -1.775 -4.502) 5.022 2.242 ( 1.849 2.132 8.566) 9.019 2.872 ( 1.160 2.148 -13.094) 13.319 3.462 ( -7.155 0.063 -0.194) 7.158 3.474 ( -4.869 0.299 0.121) 4.880 3.476 ( -1.540 0.286 0.342) 1.603 3.506 ( -7.671 0.146 -3.085) 8.269 3.787 ( 2.130 -0.032 1.716) 2.735 3.918 ( 2.988 -0.204 -2.947) 4.201 4.007 ( -1.832 -0.213 0.578) 1.933 4.026 ( -2.374 0.345 -0.714) 2.503 4.221 ( -3.231 -3.762 3.581) 6.117 4.415 ( -3.232 -0.884 3.679) 4.976 4.457 ( 0.008 -3.162 -1.745) 3.611 4.639 ( 0.327 -0.667 3.343) 3.424 4.811 ( -1.656 -8.022 7.523) 11.121 4.968 ( 1.144 -4.719 4.887) 6.889 5.158 ( 2.194 0.082 2.226) 3.127 5.342 ( 1.197 0.004 -6.206) 6.320 5.646 ( 2.287 2.208 0.855) 3.292 5.695 ( 5.605 1.650 0.815) 5.900======================= Grid point 186 (70/129) =======================q-point: (-0.17 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.416 ( 0.000 13.150 4.690) 13.961 0.487 ( 0.000 8.542 12.190) 14.885 0.679 ( 0.000 4.024 6.240) 7.425 0.821 ( 0.000 3.356 8.592) 9.224 0.975 ( 0.000 2.767 -7.005) 7.531 1.135 ( 0.000 1.032 9.088) 9.147 1.187 ( -0.000 -1.868 -4.044) 4.455 1.304 ( -0.000 -0.510 0.466) 0.691 1.318 ( -0.000 -1.584 -0.197) 1.596 1.445 ( -0.000 -3.009 2.972) 4.229 1.460 ( -0.000 -1.415 1.102) 1.794 1.497 ( -0.000 -1.142 -0.270) 1.173 1.551 ( -0.000 -0.899 -1.652) 1.881 1.656 ( 0.000 0.878 -3.734) 3.836 1.860 ( -0.000 -4.376 0.413) 4.395 1.981 ( -0.000 -1.420 -6.093) 6.256 2.257 ( 0.000 2.541 6.074) 6.584 2.874 ( 0.000 2.116 -14.011) 14.170 3.375 ( 0.000 0.208 0.124) 0.242 3.381 ( 0.000 0.181 -0.158) 0.240 3.427 ( -0.000 -0.064 0.503) 0.507 3.465 ( 0.000 0.075 -0.741) 0.745 3.809 ( -0.000 -0.034 2.072) 2.072 3.974 ( 0.000 0.286 0.141) 0.319 3.980 ( 0.000 0.153 -5.713) 5.715 3.987 ( 0.000 0.255 -0.317) 0.407 4.207 ( -0.000 -6.647 9.214) 11.362 4.365 ( -0.000 -1.918 9.577) 9.767 4.483 ( -0.000 -3.484 -4.698) 5.848 4.648 ( -0.000 -1.116 3.880) 4.037 4.837 ( -0.000 -8.430 8.871) 12.237 5.010 ( -0.000 -5.703 5.092) 7.645 5.182 ( -0.000 -0.343 3.072) 3.091 5.354 ( -0.000 -0.129 -6.046) 6.047 5.656 ( 0.000 2.644 1.080) 2.856 5.752 ( 0.000 1.946 -1.890) 2.713======================= Grid point 191 (71/129) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( -1.183 -0.000 -0.485) 1.279 1.011 ( -1.305 -0.000 -0.801) 1.532 1.091 ( -0.533 -0.000 2.924) 2.972 1.136 ( -3.925 -0.000 0.744) 3.995 1.179 ( -4.765 -0.000 4.396) 6.484 1.416 ( -3.853 -0.000 -3.562) 5.247 1.442 ( 0.578 0.000 1.728) 1.822 1.481 ( -0.235 -0.000 3.452) 3.460 1.568 ( -0.131 -0.000 -0.725) 0.736 1.614 ( -1.070 -0.000 -4.179) 4.314 1.745 ( 3.971 0.000 0.147) 3.973 1.765 ( 2.992 0.000 -0.500) 3.033 1.843 ( 2.968 0.000 1.662) 3.401 1.915 ( 2.421 0.000 -1.239) 2.720 2.088 ( 0.076 0.000 12.678) 12.678 2.763 ( 0.671 0.000 1.637) 1.769 2.780 ( -0.498 -0.000 -10.891) 10.903 2.833 ( 0.046 0.000 -1.145) 1.146 3.256 ( -0.186 -0.000 1.774) 1.784 3.440 ( 0.006 0.000 -6.119) 6.119 3.736 ( -0.114 -0.000 0.581) 0.592 3.827 ( -0.604 -0.000 -2.658) 2.726 3.928 ( -0.765 -0.000 9.274) 9.305 3.971 ( 1.040 0.000 0.452) 1.134 4.016 ( -0.284 -0.000 -3.276) 3.288 4.227 ( 0.382 0.000 -2.801) 2.827 4.371 ( -0.001 -0.000 3.415) 3.415 4.422 ( -0.003 -0.000 12.044) 12.044 4.559 ( 0.556 0.000 2.574) 2.633 4.611 ( -0.023 -0.000 -4.627) 4.627 4.660 ( -1.461 -0.000 -5.672) 5.857 4.863 ( -0.111 -0.000 0.057) 0.125 5.036 ( 0.248 0.000 -0.253) 0.354 5.102 ( -0.612 -0.000 -4.411) 4.453 5.444 ( -0.560 -0.000 4.933) 4.964 5.594 ( -0.879 -0.000 -1.663) 1.881======================= Grid point 192 (72/129) =======================q-point: (-0.67 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( -1.387 -0.179 0.435) 1.465 0.981 ( -3.125 -0.392 0.126) 3.152 1.044 ( -3.497 -0.466 4.037) 5.361 1.100 ( 0.740 -0.018 0.797) 1.088 1.118 ( -2.063 -1.098 1.383) 2.715 1.334 ( -4.779 -0.978 -4.245) 6.467 1.461 ( 1.209 0.143 0.759) 1.435 1.474 ( -1.022 0.040 4.444) 4.561 1.554 ( -2.770 -0.079 -1.041) 2.960 1.555 ( -2.855 -0.335 -1.291) 3.151 1.795 ( 1.141 1.955 0.171) 2.270 1.817 ( 2.441 -0.630 -0.631) 2.599 1.909 ( 2.845 0.155 0.269) 2.862 1.944 ( 0.829 1.245 -0.700) 1.652 2.106 ( 1.713 -0.304 11.251) 11.385 2.716 ( -5.516 0.490 1.328) 5.695 2.779 ( -4.410 -0.112 -2.648) 5.145 2.788 ( -0.531 -0.248 -9.596) 9.614 3.274 ( 2.106 -0.037 1.692) 2.702 3.464 ( 2.556 -0.028 -6.675) 7.147 3.732 ( -0.329 -0.016 0.380) 0.503 3.795 ( -3.124 -0.150 -0.045) 3.128 3.853 ( -3.100 0.034 2.643) 4.074 3.976 ( -3.544 -0.042 -4.130) 5.443 4.021 ( 1.347 0.073 3.740) 3.976 4.189 ( -3.272 0.067 -1.848) 3.758 4.370 ( -0.161 -0.011 2.651) 2.656 4.401 ( -2.080 -0.017 11.701) 11.884 4.543 ( -1.118 0.001 -1.013) 1.508 4.613 ( 0.198 0.004 -3.917) 3.922 4.710 ( 4.589 -0.239 -1.808) 4.938 4.867 ( 0.427 -0.032 0.523) 0.675 5.065 ( 2.672 0.248 -1.096) 2.899 5.092 ( -0.515 -0.354 -3.075) 3.138 5.443 ( 0.555 -0.088 3.786) 3.828 5.573 ( -1.389 -0.228 -1.516) 2.069======================= Grid point 193 (73/129) =======================q-point: (-0.58 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.883 ( -6.409 -1.786 2.145) 6.990 0.929 ( -0.920 -1.435 -0.144) 1.710 1.019 ( -1.065 -1.154 3.351) 3.701 1.091 ( -2.096 -0.100 -0.836) 2.259 1.115 ( 0.780 -2.101 0.186) 2.249 1.251 ( -4.184 -1.687 -3.080) 5.463 1.398 ( -6.352 -0.338 6.333) 8.976 1.484 ( 1.176 0.456 -0.356) 1.311 1.507 ( -3.283 -0.198 0.145) 3.293 1.517 ( -0.076 -0.298 -0.519) 0.603 1.786 ( -1.122 1.502 0.768) 2.026 1.836 ( -0.663 0.878 -0.844) 1.387 1.924 ( -1.425 1.432 -1.543) 2.542 1.928 ( -1.424 1.513 -0.706) 2.195 2.152 ( 2.818 0.421 10.831) 11.199 2.534 ( -13.101 0.578 1.293) 13.178 2.590 ( -13.916 -0.031 -0.739) 13.936 2.816 ( 1.872 -0.040 -11.526) 11.677 3.338 ( 4.359 -0.061 2.484) 5.017 3.536 ( 4.511 -0.074 -6.001) 7.508 3.718 ( -1.196 0.023 0.260) 1.224 3.737 ( -2.152 -0.124 1.041) 2.393 3.824 ( -0.497 0.014 -1.266) 1.360 3.903 ( -3.266 -0.021 -4.782) 5.791 4.017 ( -1.180 0.161 4.178) 4.344 4.128 ( -2.747 0.089 -1.039) 2.939 4.359 ( -1.746 -0.033 8.115) 8.301 4.363 ( -0.706 -0.151 2.033) 2.157 4.523 ( -1.213 -0.051 1.307) 1.784 4.618 ( 0.339 0.089 -2.859) 2.881 4.791 ( 2.776 -1.058 -0.263) 2.982 4.878 ( 0.591 -0.186 1.681) 1.791 5.071 ( -1.288 -0.265 -0.666) 1.474 5.142 ( 4.673 -0.183 -3.006) 5.559 5.468 ( 2.056 -0.047 2.084) 2.928 5.546 ( -1.460 -0.868 -0.561) 1.789======================= Grid point 194 (74/129) =======================q-point: (-0.50 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( -6.046 -0.202 2.912) 6.714 0.916 ( -1.692 -1.657 -0.892) 2.531 0.971 ( -5.011 0.729 -0.552) 5.094 1.042 ( -2.304 -1.996 -0.571) 3.102 1.153 ( 0.909 -3.033 0.388) 3.191 1.196 ( -2.487 -2.845 0.389) 3.799 1.275 ( -6.256 -1.709 10.358) 12.221 1.434 ( -3.823 -0.256 0.871) 3.929 1.504 ( 1.027 0.834 -1.401) 1.927 1.528 ( 0.707 -0.378 -2.068) 2.218 1.718 ( -5.072 2.621 1.176) 5.830 1.793 ( -3.529 3.590 -1.676) 5.306 1.821 ( -5.880 1.027 0.466) 5.987 1.898 ( -2.563 -0.648 -2.527) 3.657 2.194 ( -0.885 1.702 8.735) 8.943 2.224 ( -15.121 0.073 2.622) 15.346 2.264 ( -18.742 -0.353 -0.303) 18.748 2.850 ( 1.660 0.611 -11.375) 11.511 3.428 ( 4.354 0.026 3.661) 5.689 3.611 ( 2.018 -0.009 -3.880) 4.373 3.682 ( -2.497 0.116 0.405) 2.532 3.703 ( -1.133 0.111 0.348) 1.190 3.797 ( -3.957 0.280 -2.244) 4.557 3.866 ( -0.571 0.205 -5.170) 5.205 4.017 ( 2.370 0.340 2.698) 3.607 4.082 ( -2.086 -0.199 -0.517) 2.159 4.326 ( -2.207 -0.295 3.986) 4.565 4.353 ( -0.317 -0.320 0.310) 0.546 4.502 ( -0.492 0.365 5.261) 5.297 4.626 ( 0.695 0.502 -2.234) 2.393 4.801 ( -3.560 -4.087 2.639) 6.028 4.890 ( 0.339 -0.866 2.775) 2.926 5.061 ( 0.800 -0.581 1.138) 1.508 5.239 ( 4.874 0.367 -5.457) 7.325 5.520 ( 2.968 0.228 1.590) 3.375 5.544 ( 1.445 -1.149 0.768) 1.999======================= Grid point 195 (75/129) =======================q-point: (-0.42 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( -4.003 4.818 3.575) 7.212 0.830 ( -7.142 3.084 3.487) 8.525 0.877 ( -3.717 -1.129 -3.272) 5.079 1.020 ( -0.854 -0.599 -1.306) 1.672 1.143 ( -2.157 -2.586 2.921) 4.457 1.176 ( -5.643 -3.073 12.960) 14.466 1.206 ( -0.305 -3.275 -1.043) 3.450 1.376 ( -2.192 -0.497 2.422) 3.304 1.512 ( -0.306 0.899 -2.207) 2.403 1.533 ( -1.740 0.192 -2.200) 2.812 1.574 ( -7.555 3.216 0.489) 8.226 1.623 ( -7.526 3.735 -0.717) 8.432 1.737 ( -8.572 -0.236 -0.315) 8.581 1.797 ( -7.725 -2.729 -1.396) 8.311 1.902 ( -16.217 -0.531 0.040) 16.226 1.949 ( -5.767 -0.564 -2.127) 6.173 2.234 ( 1.838 1.236 10.361) 10.595 2.875 ( 1.527 1.402 -11.556) 11.740 3.484 ( 1.180 0.184 2.827) 3.069 3.571 ( -4.806 0.342 -2.062) 5.241 3.621 ( -3.938 0.268 0.063) 3.948 3.653 ( -9.194 0.227 -0.540) 9.212 3.735 ( 2.829 0.149 1.322) 3.126 3.874 ( 1.377 0.263 -5.277) 5.460 4.038 ( -1.680 -0.215 1.373) 2.181 4.064 ( -0.069 0.453 -0.166) 0.487 4.264 ( -4.394 -1.085 0.890) 4.612 4.371 ( 1.938 -1.221 -2.278) 3.231 4.493 ( -1.437 0.584 5.109) 5.340 4.632 ( -0.528 -0.026 1.951) 2.021 4.737 ( -3.811 -7.193 6.501) 10.418 4.902 ( 0.297 -1.898 3.640) 4.116 5.105 ( 2.941 -0.171 1.586) 3.346 5.310 ( 2.516 0.272 -6.614) 7.081 5.595 ( 5.458 0.114 2.814) 6.142 5.607 ( 3.950 0.719 0.289) 4.025======================= Grid point 196 (76/129) =======================q-point: (-0.33 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.577 ( 0.334 10.356 4.515) 11.302 0.679 ( -5.536 5.143 8.150) 11.114 0.804 ( -3.780 1.273 -2.672) 4.801 0.999 ( -6.128 0.991 4.308) 7.557 1.036 ( -3.957 2.433 3.925) 6.081 1.131 ( -0.342 -0.780 6.020) 6.080 1.191 ( -1.929 0.749 1.510) 2.562 1.337 ( -3.572 -2.118 2.335) 4.764 1.403 ( -8.430 -0.614 -1.538) 8.591 1.407 ( -3.766 -1.538 0.380) 4.086 1.502 ( -5.555 0.030 1.211) 5.685 1.528 ( -2.962 -0.416 -2.257) 3.748 1.559 ( -4.041 0.372 -0.418) 4.080 1.670 ( -2.808 -0.558 -3.971) 4.896 1.790 ( -0.814 -3.631 0.403) 3.743 1.927 ( 0.705 -2.592 -5.676) 6.279 2.263 ( 1.978 1.688 9.616) 9.961 2.894 ( 1.276 1.973 -12.257) 12.480 3.463 ( -6.830 0.058 -0.300) 6.837 3.478 ( -4.191 0.300 0.207) 4.206 3.479 ( -2.758 0.273 0.319) 2.790 3.507 ( -8.047 0.018 -2.669) 8.478 3.787 ( 2.224 0.144 1.852) 2.898 3.916 ( 2.983 -0.186 -2.503) 3.899 4.003 ( -1.608 -0.519 2.178) 2.756 4.030 ( -2.454 0.484 -0.364) 2.528 4.176 ( -6.222 -4.392 4.820) 9.013 4.402 ( -4.926 -1.599 5.232) 7.362 4.424 ( 0.200 -2.753 -1.903) 3.353 4.629 ( 0.320 -1.007 9.183) 9.243 4.752 ( 0.974 -3.323 2.833) 4.475 4.927 ( 0.847 -3.281 3.916) 5.179 5.158 ( 2.160 -0.003 2.152) 3.049 5.342 ( 1.033 -0.074 -5.456) 5.554 5.667 ( 2.680 1.873 0.521) 3.311 5.710 ( 5.846 1.134 0.724) 5.999======================= Grid point 197 (77/129) =======================q-point: (-0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.548 ( 0.000 11.460 4.890) 12.460 0.582 ( 0.000 9.132 9.859) 13.439 0.721 ( 0.000 3.609 -0.263) 3.619 0.865 ( 0.000 4.822 14.192) 14.989 1.009 ( 0.000 3.658 -6.293) 7.279 1.143 ( -0.000 -0.404 5.137) 5.152 1.169 ( -0.000 -0.400 1.700) 1.746 1.294 ( -0.000 -1.830 0.029) 1.830 1.299 ( -0.000 -1.466 -0.026) 1.466 1.414 ( -0.000 -2.943 2.669) 3.973 1.441 ( -0.000 -2.016 1.186) 2.339 1.485 ( -0.000 -0.973 -0.478) 1.084 1.545 ( -0.000 -0.102 -2.029) 2.032 1.660 ( -0.000 -0.023 -3.729) 3.729 1.810 ( -0.000 -4.825 0.021) 4.825 1.960 ( -0.000 -2.643 -8.151) 8.569 2.281 ( 0.000 1.880 7.259) 7.498 2.897 ( 0.000 2.212 -13.016) 13.203 3.378 ( 0.000 0.239 0.086) 0.254 3.383 ( 0.000 0.223 -0.165) 0.277 3.426 ( -0.000 -0.080 0.573) 0.579 3.466 ( 0.000 0.083 -0.741) 0.745 3.809 ( 0.000 0.185 2.490) 2.497 3.977 ( 0.000 0.332 0.121) 0.353 3.983 ( 0.000 0.508 -5.759) 5.781 3.990 ( 0.000 0.289 -0.322) 0.433 4.120 ( -0.000 -9.103 17.642) 19.852 4.347 ( -0.000 -1.408 9.151) 9.259 4.449 ( -0.000 -2.788 -4.323) 5.144 4.638 ( -0.000 -0.592 8.456) 8.477 4.778 ( -0.000 -3.128 3.249) 4.510 4.959 ( -0.000 -4.272 4.020) 5.867 5.180 ( -0.000 -0.024 2.572) 2.572 5.352 ( -0.000 -0.162 -5.067) 5.069 5.683 ( 0.000 2.437 0.749) 2.550 5.769 ( 0.000 1.268 -1.379) 1.873======================= Grid point 204 (78/129) =======================q-point: (-0.67 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( -6.176 -0.000 2.167) 6.546 0.921 ( -1.209 -0.000 0.017) 1.209 1.013 ( -0.925 -0.000 3.490) 3.610 1.091 ( -2.367 -0.000 -0.814) 2.503 1.103 ( 0.846 0.000 -0.004) 0.846 1.242 ( -4.161 -0.000 -3.070) 5.171 1.396 ( -6.502 -0.000 6.309) 9.060 1.486 ( 1.139 0.000 -0.520) 1.252 1.506 ( -3.094 -0.000 0.168) 3.099 1.515 ( -0.125 -0.000 -0.497) 0.513 1.794 ( -1.372 -0.000 0.730) 1.554 1.841 ( -0.145 -0.000 -0.814) 0.827 1.932 ( -0.863 -0.000 -1.606) 1.823 1.936 ( -2.373 -0.000 -0.605) 2.448 2.155 ( 2.992 0.000 10.691) 11.101 2.537 ( -13.103 -0.000 1.209) 13.159 2.590 ( -13.959 -0.000 -0.706) 13.977 2.816 ( 2.005 0.000 -11.542) 11.715 3.337 ( 4.374 0.000 2.426) 5.002 3.536 ( 4.518 0.000 -6.071) 7.568 3.719 ( -1.174 -0.000 0.229) 1.196 3.736 ( -2.079 -0.000 1.005) 2.310 3.824 ( -0.487 -0.000 -1.307) 1.395 3.903 ( -3.231 -0.000 -4.806) 5.792 4.018 ( -1.176 -0.000 4.177) 4.340 4.129 ( -2.784 -0.000 -1.047) 2.974 4.359 ( -1.884 -0.000 8.550) 8.755 4.363 ( -0.609 -0.000 1.483) 1.603 4.522 ( -1.187 -0.000 1.396) 1.832 4.619 ( 0.388 0.000 -2.808) 2.835 4.786 ( 2.474 0.000 -0.202) 2.482 4.877 ( 0.526 0.000 1.628) 1.711 5.069 ( -1.515 -0.000 -0.547) 1.611 5.141 ( 4.871 0.000 -2.884) 5.661 5.468 ( 2.169 0.000 1.829) 2.837 5.541 ( -1.589 -0.000 -0.548) 1.681======================= Grid point 206 (79/129) =======================q-point: (-0.58 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.770 ( -4.186 0.404 2.065) 4.685 0.898 ( -1.557 -1.155 -1.300) 2.334 0.988 ( -3.337 2.201 0.705) 4.059 1.016 ( -3.316 -2.717 0.027) 4.287 1.134 ( 1.409 -0.775 -0.249) 1.628 1.173 ( -3.294 -1.232 0.052) 3.517 1.264 ( -6.815 -0.534 11.206) 13.126 1.432 ( -3.762 -0.061 0.766) 3.840 1.512 ( 1.130 0.659 -1.772) 2.202 1.523 ( 0.617 -0.499 -2.161) 2.302 1.739 ( -4.368 1.098 1.685) 4.809 1.811 ( -2.634 0.350 -0.457) 2.696 1.840 ( -6.958 1.982 -0.959) 7.298 1.887 ( -3.745 -1.111 -3.041) 4.951 2.206 ( 1.785 0.521 10.213) 10.381 2.225 ( -17.598 0.147 1.238) 17.642 2.261 ( -19.127 -0.148 -0.346) 19.131 2.854 ( 1.898 0.223 -11.278) 11.439 3.428 ( 4.400 0.006 3.593) 5.681 3.611 ( 2.117 -0.001 -3.988) 4.515 3.683 ( -2.465 0.043 0.428) 2.502 3.704 ( -1.153 0.038 0.200) 1.171 3.799 ( -3.835 0.114 -2.149) 4.397 3.868 ( -0.450 0.083 -5.176) 5.196 4.020 ( 2.615 0.163 2.501) 3.622 4.081 ( -2.307 -0.085 -0.480) 2.358 4.323 ( -2.365 -0.140 3.732) 4.420 4.350 ( -0.462 -0.110 0.247) 0.535 4.504 ( -0.255 0.110 5.679) 5.686 4.631 ( 1.048 0.276 -2.183) 2.437 4.769 ( -5.158 -1.648 3.404) 6.396 4.884 ( 0.122 -0.280 2.610) 2.628 5.058 ( 1.008 -0.178 1.321) 1.671 5.242 ( 4.968 0.119 -5.443) 7.370 5.524 ( 2.458 0.606 1.246) 2.822 5.533 ( 2.329 -0.930 0.780) 2.627======================= Grid point 207 (80/129) =======================q-point: (-0.50 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.709 ( -0.797 4.702 1.315) 4.947 0.853 ( -6.638 0.615 -2.033) 6.970 0.869 ( -2.953 0.349 2.649) 3.982 1.013 ( 0.315 -0.852 0.693) 1.143 1.113 ( -3.236 -2.481 2.304) 4.684 1.153 ( -4.508 -1.291 13.306) 14.108 1.171 ( 0.262 -2.993 -0.310) 3.020 1.374 ( -2.086 -0.000 2.043) 2.920 1.521 ( -0.172 0.803 -2.543) 2.672 1.533 ( -0.863 -0.212 -2.630) 2.776 1.608 ( -8.189 2.887 1.113) 8.754 1.656 ( -9.344 2.059 -0.378) 9.576 1.737 ( -9.195 0.266 -1.074) 9.261 1.772 ( -7.118 -2.007 -1.404) 7.528 1.897 ( -16.560 -0.346 0.130) 16.564 1.940 ( -7.356 -0.834 -2.423) 7.789 2.244 ( 1.929 0.695 10.833) 11.025 2.887 ( 1.728 0.781 -11.214) 11.373 3.485 ( 1.211 0.087 2.796) 3.049 3.574 ( -4.796 0.207 -2.263) 5.307 3.623 ( -3.929 0.135 0.308) 3.944 3.655 ( -8.998 0.105 -0.532) 9.014 3.737 ( 2.638 0.148 1.391) 2.986 3.877 ( 1.257 0.226 -5.401) 5.550 4.035 ( -2.293 -0.193 1.792) 2.916 4.070 ( 0.531 0.527 -0.386) 0.842 4.253 ( -5.148 -0.858 0.719) 5.268 4.361 ( 1.517 -0.746 -2.436) 2.965 4.497 ( -2.707 0.108 4.856) 5.561 4.627 ( -3.746 -0.858 9.444) 10.196 4.682 ( 0.301 -2.953 1.858) 3.502 4.887 ( -0.020 -0.942 3.181) 3.318 5.104 ( 3.047 -0.116 1.666) 3.475 5.312 ( 2.292 0.116 -6.448) 6.844 5.596 ( 5.919 0.060 2.850) 6.570 5.613 ( 4.479 0.402 -0.003) 4.497======================= Grid point 208 (81/129) =======================q-point: (-0.42 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( 1.901 9.702 2.153) 10.118 0.723 ( -4.567 3.054 5.398) 7.702 0.816 ( -2.768 1.030 1.264) 3.213 0.996 ( -5.147 -1.424 8.348) 9.910 1.053 ( -0.530 0.689 2.998) 3.122 1.128 ( 0.245 0.206 4.384) 4.396 1.188 ( 0.074 -1.523 0.709) 1.682 1.329 ( -4.626 0.654 3.322) 5.732 1.393 ( -6.085 -1.288 0.523) 6.241 1.399 ( -9.995 -0.152 -1.888) 10.173 1.504 ( -7.162 0.402 1.562) 7.342 1.525 ( -3.623 -0.155 -2.279) 4.283 1.566 ( -3.301 0.899 -0.544) 3.464 1.661 ( -2.240 -0.987 -4.285) 4.935 1.758 ( -1.644 -2.344 0.150) 2.867 1.898 ( -0.023 -2.739 -6.374) 6.937 2.277 ( 1.929 1.029 10.558) 10.782 2.912 ( 1.350 1.349 -11.609) 11.765 3.463 ( -6.731 0.058 -0.387) 6.743 3.480 ( -1.990 0.162 0.227) 2.009 3.482 ( -5.277 0.253 0.239) 5.288 3.507 ( -8.328 -0.095 -2.249) 8.627 3.790 ( 2.396 0.274 1.947) 3.099 3.913 ( 2.726 -0.252 -1.446) 3.096 3.996 ( -1.583 -0.726 4.873) 5.175 4.035 ( -2.778 0.416 -0.164) 2.814 4.135 ( -7.943 -2.988 4.259) 9.495 4.384 ( -5.691 -1.490 7.587) 9.601 4.401 ( 1.314 -1.603 -4.441) 4.901 4.620 ( 1.086 -0.565 12.870) 12.928 4.731 ( 2.253 -0.959 -0.759) 2.563 4.898 ( 0.405 -2.093 3.199) 3.844 5.158 ( 2.178 -0.057 2.126) 3.044 5.341 ( 0.972 -0.051 -4.872) 4.968 5.684 ( 3.001 1.275 0.412) 3.286 5.719 ( 5.956 0.673 0.849) 6.054======================= Grid point 209 (82/129) =======================q-point: (-0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.652 ( 0.000 7.858 6.467) 10.177 0.673 ( 0.000 7.809 8.298) 11.395 0.755 ( 0.000 3.241 -2.925) 4.366 0.911 ( 0.000 3.087 15.938) 16.234 1.050 ( 0.000 3.974 -5.583) 6.853 1.130 ( -0.000 -0.762 2.400) 2.518 1.183 ( 0.000 2.300 5.148) 5.639 1.266 ( -0.000 -3.025 0.086) 3.026 1.286 ( -0.000 -1.244 -0.576) 1.371 1.383 ( -0.000 -3.001 3.059) 4.285 1.420 ( -0.000 -1.929 1.494) 2.440 1.477 ( -0.000 -0.626 -0.737) 0.967 1.548 ( 0.000 0.665 -2.308) 2.402 1.657 ( -0.000 -0.540 -4.006) 4.042 1.763 ( -0.000 -3.814 -0.410) 3.836 1.926 ( -0.000 -3.600 -8.970) 9.666 2.297 ( 0.000 1.104 8.928) 8.996 2.918 ( 0.000 1.746 -12.160) 12.285 3.380 ( 0.000 0.207 0.049) 0.213 3.386 ( 0.000 0.205 -0.179) 0.273 3.425 ( -0.000 -0.077 0.651) 0.655 3.467 ( 0.000 0.068 -0.740) 0.743 3.813 ( 0.000 0.500 2.950) 2.992 3.980 ( 0.000 0.290 0.099) 0.306 3.990 ( 0.000 0.618 -4.816) 4.856 3.993 ( 0.000 0.245 -0.326) 0.407 4.031 ( -0.000 -7.078 20.844) 22.013 4.335 ( -0.000 -0.809 7.982) 8.023 4.424 ( -0.000 -1.960 -5.140) 5.501 4.635 ( -0.000 -0.121 11.384) 11.384 4.759 ( -0.000 -0.942 -0.233) 0.970 4.919 ( -0.000 -3.194 3.109) 4.457 5.180 ( -0.000 -0.028 2.410) 2.410 5.351 ( -0.000 -0.090 -4.245) 4.246 5.706 ( 0.000 1.909 0.676) 2.025 5.780 ( 0.000 0.826 -0.767) 1.127======================= Grid point 218 (83/129) =======================q-point: (-0.58 0.42 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.738 ( 0.621 0.000 -0.254) 0.671 0.851 ( -4.304 -0.000 -3.463) 5.524 0.876 ( -5.148 -0.000 4.688) 6.963 1.006 ( 1.315 0.000 1.716) 2.161 1.100 ( -4.798 -0.000 3.714) 6.068 1.149 ( -3.417 -0.000 13.274) 13.707 1.150 ( 0.220 0.000 -1.511) 1.527 1.375 ( -2.018 -0.000 1.865) 2.748 1.528 ( -0.295 -0.000 -3.027) 3.041 1.530 ( -0.442 -0.000 -2.394) 2.435 1.626 ( -8.122 -0.000 1.574) 8.273 1.665 ( -9.987 -0.000 -0.312) 9.992 1.741 ( -12.152 -0.000 -1.475) 12.241 1.759 ( -4.098 -0.000 -1.455) 4.349 1.895 ( -16.705 -0.000 0.152) 16.706 1.935 ( -8.051 -0.000 -2.534) 8.440 2.248 ( 1.942 0.000 10.999) 11.169 2.891 ( 1.797 0.000 -11.093) 11.237 3.486 ( 1.223 0.000 2.781) 3.038 3.575 ( -4.789 -0.000 -2.346) 5.333 3.624 ( -3.932 -0.000 0.396) 3.952 3.655 ( -8.911 -0.000 -0.537) 8.927 3.737 ( 2.558 0.000 1.422) 2.926 3.878 ( 1.215 0.000 -5.454) 5.588 4.034 ( -2.509 -0.000 1.954) 3.180 4.073 ( 0.752 0.000 -0.523) 0.916 4.248 ( -5.478 -0.000 0.709) 5.524 4.357 ( 1.338 0.000 -2.456) 2.797 4.497 ( -3.442 -0.000 4.706) 5.831 4.621 ( -5.426 -0.000 14.354) 15.345 4.669 ( 2.738 0.000 -2.032) 3.409 4.882 ( -0.139 -0.000 3.022) 3.025 5.103 ( 3.076 0.000 1.690) 3.509 5.312 ( 2.217 0.000 -6.383) 6.757 5.596 ( 6.084 0.000 2.864) 6.724 5.615 ( 4.659 0.000 -0.088) 4.660======================= Grid point 220 (84/129) =======================q-point: (-0.50 0.42 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( -4.281 0.753 3.603) 5.646 0.771 ( 3.028 5.783 -1.758) 6.760 0.821 ( -2.134 -0.387 4.102) 4.640 0.976 ( -6.733 -1.645 15.180) 16.687 1.055 ( 3.127 -0.090 0.917) 3.260 1.138 ( 0.866 1.751 2.180) 2.928 1.163 ( 1.213 -2.702 1.189) 3.191 1.343 ( -2.560 1.327 3.290) 4.375 1.380 ( -10.344 -1.065 0.633) 10.418 1.399 ( -10.857 0.124 -1.821) 11.009 1.508 ( -8.275 0.258 1.950) 8.505 1.524 ( -3.635 -0.025 -2.354) 4.331 1.574 ( -2.879 0.579 -0.349) 2.957 1.652 ( -2.092 -0.587 -4.647) 5.130 1.742 ( -2.055 -0.704 -0.092) 2.174 1.875 ( -0.534 -1.293 -6.714) 6.858 2.284 ( 1.860 0.341 11.113) 11.272 2.922 ( 1.384 0.475 -11.261) 11.356 3.464 ( -6.744 0.027 -0.439) 6.759 3.481 ( -1.139 0.046 0.197) 1.157 3.484 ( -6.254 0.108 0.177) 6.257 3.506 ( -8.468 -0.065 -1.967) 8.694 3.792 ( 2.578 0.154 1.933) 3.226 3.911 ( 2.268 -0.169 -0.100) 2.277 3.990 ( -1.732 -0.361 6.848) 7.072 4.038 ( -3.209 0.152 -0.125) 3.215 4.115 ( -7.871 -0.910 2.648) 8.354 4.373 ( -5.201 -0.522 7.792) 9.383 4.389 ( 1.379 -0.598 -5.025) 5.245 4.617 ( 1.562 -0.142 14.275) 14.361 4.726 ( 2.553 -0.202 -2.052) 3.282 4.883 ( 0.145 -0.721 2.839) 2.933 5.157 ( 2.198 -0.031 2.117) 3.052 5.341 ( 0.953 -0.017 -4.571) 4.670 5.693 ( 3.176 0.454 0.390) 3.232 5.724 ( 6.011 0.226 0.967) 6.092======================= Grid point 221 (85/129) =======================q-point: (-0.42 0.42 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.704 ( 0.000 2.201 5.345) 5.780 0.740 ( 0.000 4.670 7.474) 8.813 0.801 ( 0.000 5.471 -1.082) 5.577 0.918 ( -0.000 -1.694 16.133) 16.222 1.089 ( 0.000 3.229 -5.181) 6.105 1.135 ( 0.000 1.268 3.144) 3.390 1.209 ( 0.000 2.284 3.896) 4.516 1.235 ( -0.000 -2.738 0.302) 2.754 1.273 ( -0.000 -1.106 -1.229) 1.653 1.353 ( -0.000 -2.455 4.202) 4.867 1.403 ( -0.000 -1.107 1.855) 2.160 1.472 ( -0.000 -0.299 -0.934) 0.981 1.558 ( 0.000 0.928 -2.187) 2.375 1.650 ( -0.000 -0.734 -4.528) 4.587 1.733 ( -0.000 -1.828 -0.807) 1.998 1.890 ( -0.000 -2.921 -8.982) 9.445 2.305 ( 0.000 0.498 10.249) 10.261 2.933 ( 0.000 0.946 -11.607) 11.646 3.382 ( 0.000 0.121 0.023) 0.123 3.388 ( 0.000 0.124 -0.197) 0.233 3.425 ( -0.000 -0.048 0.714) 0.716 3.468 ( 0.000 0.037 -0.739) 0.740 3.819 ( 0.000 0.599 3.062) 3.121 3.969 ( -0.000 -3.777 22.834) 23.144 3.983 ( 0.000 0.168 0.081) 0.187 3.995 ( 0.000 0.139 -0.327) 0.355 4.000 ( 0.000 0.450 -5.731) 5.749 4.329 ( -0.000 -0.377 7.247) 7.257 4.408 ( -0.000 -1.165 -5.592) 5.712 4.635 ( 0.000 0.045 13.184) 13.184 4.753 ( -0.000 -0.268 -1.693) 1.715 4.893 ( -0.000 -1.709 2.557) 3.075 5.180 ( -0.000 -0.032 2.351) 2.351 5.350 ( -0.000 -0.037 -3.744) 3.744 5.722 ( 0.000 1.051 0.692) 1.259 5.787 ( 0.000 0.429 -0.324) 0.538======================= Grid point 233 (86/129) =======================q-point: ( 0.50 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.713 ( 0.000 0.000 4.453) 4.453 0.766 ( 0.000 0.000 7.236) 7.236 0.845 ( 0.000 0.000 -5.695) 5.695 0.895 ( 0.000 0.000 22.148) 22.148 1.109 ( 0.000 0.000 -5.243) 5.243 1.144 ( 0.000 0.000 3.283) 3.283 1.218 ( 0.000 0.000 0.593) 0.593 1.223 ( 0.000 0.000 2.913) 2.913 1.267 ( 0.000 0.000 -1.519) 1.519 1.338 ( 0.000 0.000 5.146) 5.146 1.397 ( 0.000 0.000 2.008) 2.008 1.470 ( 0.000 0.000 -1.005) 1.005 1.563 ( 0.000 0.000 -1.929) 1.929 1.645 ( 0.000 0.000 -4.942) 4.942 1.724 ( 0.000 0.000 -0.979) 0.979 1.873 ( 0.000 0.000 -8.856) 8.856 2.308 ( 0.000 0.000 10.732) 10.732 2.938 ( 0.000 0.000 -11.419) 11.419 3.383 ( 0.000 0.000 0.013) 0.013 3.388 ( 0.000 0.000 -0.206) 0.206 3.424 ( 0.000 0.000 0.739) 0.739 3.468 ( 0.000 0.000 -0.738) 0.738 3.823 ( 0.000 0.000 2.864) 2.864 3.948 ( 0.000 0.000 23.820) 23.820 3.984 ( 0.000 0.000 0.075) 0.075 3.996 ( 0.000 0.000 -0.327) 0.327 4.004 ( 0.000 0.000 -6.372) 6.372 4.327 ( 0.000 0.000 7.014) 7.014 4.401 ( 0.000 0.000 -5.689) 5.689 4.635 ( 0.000 0.000 13.814) 13.814 4.752 ( 0.000 0.000 -2.124) 2.124 4.884 ( 0.000 0.000 2.380) 2.380 5.180 ( 0.000 0.000 2.335) 2.335 5.350 ( 0.000 0.000 -3.581) 3.581 5.727 ( 0.000 0.000 0.709) 0.709 5.789 ( 0.000 0.000 -0.164) 0.164======================= Grid point 302 (87/129) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( 0.000 0.000 -11.860) 11.860 0.471 ( 0.000 0.000 11.860) 11.860 0.710 ( 0.000 0.000 -12.907) 12.907 0.710 ( 0.000 0.000 12.907) 12.907 1.033 ( 0.000 0.000 -8.711) 8.711 1.033 ( 0.000 0.000 8.711) 8.711 1.323 ( 0.000 0.000 -0.578) 0.578 1.323 ( 0.000 0.000 0.578) 0.578 1.427 ( 0.000 0.000 -12.559) 12.559 1.427 ( 0.000 0.000 12.559) 12.559 1.501 ( 0.000 0.000 -0.903) 0.903 1.501 ( 0.000 0.000 0.903) 0.903 1.552 ( 0.000 0.000 -1.480) 1.480 1.552 ( 0.000 0.000 1.480) 1.480 1.948 ( 0.000 0.000 -2.235) 2.235 1.948 ( 0.000 0.000 2.235) 2.235 2.462 ( 0.000 0.000 -16.004) 16.004 2.462 ( 0.000 0.000 16.004) 16.004 3.376 ( 0.000 0.000 -0.122) 0.122 3.376 ( 0.000 0.000 0.122) 0.122 3.444 ( 0.000 0.000 -0.947) 0.947 3.444 ( 0.000 0.000 0.947) 0.947 3.872 ( 0.000 0.000 -3.811) 3.811 3.872 ( 0.000 0.000 3.811) 3.811 3.976 ( 0.000 0.000 -0.335) 0.335 3.976 ( 0.000 0.000 0.335) 0.335 4.367 ( 0.000 0.000 -5.810) 5.810 4.367 ( 0.000 0.000 5.810) 5.810 4.559 ( 0.000 0.000 -6.526) 6.526 4.559 ( 0.000 0.000 6.526) 6.526 5.076 ( 0.000 0.000 -3.492) 3.492 5.076 ( 0.000 0.000 3.492) 3.492 5.262 ( 0.000 0.000 -1.831) 1.831 5.262 ( 0.000 0.000 1.831) 1.831 5.680 ( 0.000 0.000 -2.206) 2.206 5.680 ( 0.000 0.000 2.206) 2.206======================= Grid point 304 (88/129) =======================q-point: ( 0.08 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( 8.498 -0.980 -9.126) 12.508 0.566 ( 8.498 -0.980 9.126) 12.508 0.767 ( 4.823 -1.344 -10.855) 11.954 0.767 ( 4.823 -1.344 10.855) 11.954 1.097 ( 5.687 -0.657 -5.776) 8.133 1.097 ( 5.687 -0.657 5.776) 8.133 1.395 ( 4.051 0.295 -2.468) 4.753 1.395 ( 4.051 0.295 2.468) 4.753 1.445 ( 3.323 0.113 -6.623) 7.411 1.445 ( 3.323 0.113 6.623) 7.411 1.511 ( -0.960 0.326 -1.663) 1.948 1.511 ( -0.960 0.326 1.663) 1.948 1.583 ( 7.438 0.365 -2.232) 7.774 1.583 ( 7.438 0.365 2.232) 7.774 1.925 ( -1.802 1.083 -2.221) 3.059 1.925 ( -1.802 1.083 2.221) 3.059 2.462 ( -0.157 -1.178 -16.073) 16.117 2.462 ( -0.157 -1.178 16.073) 16.117 3.463 ( 6.761 -0.063 -0.590) 6.787 3.463 ( 6.761 -0.063 0.590) 6.787 3.473 ( 3.534 -0.114 -0.121) 3.538 3.473 ( 3.534 -0.114 0.121) 3.538 3.843 ( -2.628 0.083 -3.195) 4.138 3.843 ( -2.628 0.083 3.195) 4.138 4.009 ( 2.666 -0.110 -0.187) 2.675 4.009 ( 2.666 -0.110 0.187) 2.675 4.358 ( -0.637 0.671 -5.310) 5.390 4.358 ( -0.637 0.671 5.310) 5.390 4.553 ( -0.514 -0.639 -5.302) 5.365 4.553 ( -0.514 -0.639 5.302) 5.365 5.059 ( -1.066 1.811 -3.862) 4.396 5.059 ( -1.066 1.811 3.862) 4.396 5.232 ( -2.771 -0.098 -3.125) 4.177 5.232 ( -2.771 -0.098 3.125) 4.177 5.660 ( -2.030 -0.382 -1.534) 2.573 5.660 ( -2.030 -0.382 1.534) 2.573======================= Grid point 306 (89/129) =======================q-point: ( 0.17 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( 10.852 1.092 -6.330) 12.610 0.762 ( 10.852 1.092 6.330) 12.610 0.881 ( 5.515 -1.497 -7.198) 9.191 0.881 ( 5.515 -1.497 7.198) 9.191 1.215 ( 5.080 -0.843 -1.807) 5.457 1.215 ( 5.080 -0.843 1.807) 5.457 1.429 ( 1.275 0.285 -3.474) 3.711 1.429 ( 1.275 0.285 3.474) 3.711 1.500 ( 0.786 0.762 -0.988) 1.475 1.500 ( 0.786 0.762 0.988) 1.475 1.534 ( 4.789 0.007 -0.785) 4.853 1.534 ( 4.789 0.007 0.785) 4.853 1.827 ( 10.366 2.020 -4.171) 11.355 1.827 ( 10.366 2.020 4.171) 11.355 1.901 ( 5.580 -1.221 -0.507) 5.735 1.901 ( 5.580 -1.221 0.507) 5.735 2.472 ( 0.339 -1.437 -16.157) 16.224 2.472 ( 0.339 -1.437 16.157) 16.224 3.527 ( 2.402 -0.129 -1.585) 2.880 3.527 ( 2.402 -0.129 1.585) 2.880 3.616 ( 6.739 -0.383 -1.316) 6.877 3.616 ( 6.739 -0.383 1.316) 6.877 3.782 ( -3.055 0.106 -2.958) 4.254 3.782 ( -3.055 0.106 2.958) 4.254 4.053 ( 1.358 -0.052 -0.645) 1.504 4.053 ( 1.358 -0.052 0.645) 1.504 4.349 ( 0.624 0.835 -3.019) 3.194 4.349 ( 0.624 0.835 3.019) 3.194 4.552 ( -0.026 -0.933 -3.323) 3.451 4.552 ( -0.026 -0.933 3.323) 3.451 5.021 ( -1.788 2.342 -3.696) 4.727 5.021 ( -1.788 2.342 3.696) 4.727 5.171 ( -3.374 -0.342 -4.330) 5.500 5.171 ( -3.374 -0.342 4.330) 5.500 5.617 ( -2.177 0.108 -0.454) 2.226 5.617 ( -2.177 0.108 0.454) 2.226======================= Grid point 308 (90/129) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( 6.924 2.182 -2.974) 7.845 0.941 ( 6.924 2.182 2.974) 7.845 0.985 ( 6.024 0.562 -2.764) 6.652 0.985 ( 6.024 0.562 2.764) 6.652 1.281 ( 1.864 1.103 -0.806) 2.311 1.281 ( 1.864 1.103 0.806) 2.311 1.457 ( 1.764 0.086 -1.774) 2.504 1.457 ( 1.764 0.086 1.774) 2.504 1.514 ( 1.056 1.990 -1.002) 2.466 1.514 ( 1.056 1.990 1.002) 2.466 1.643 ( 5.805 -1.720 -0.620) 6.086 1.643 ( 5.805 -1.720 0.620) 6.086 1.822 ( -2.291 -1.933 -2.005) 3.607 1.822 ( -2.291 -1.933 2.005) 3.607 2.233 ( 18.648 -0.340 -2.803) 18.860 2.233 ( 18.648 -0.340 2.803) 18.860 2.485 ( 0.310 -0.759 -16.289) 16.309 2.485 ( 0.310 -0.759 16.289) 16.309 3.524 ( -3.363 0.081 -4.341) 5.492 3.524 ( -3.363 0.081 4.341) 5.492 3.701 ( 2.202 0.024 -1.427) 2.624 3.701 ( 2.202 0.024 1.427) 2.624 3.771 ( 2.343 -0.297 -2.248) 3.261 3.771 ( 2.343 -0.297 2.248) 3.261 4.067 ( 0.658 0.094 -1.610) 1.742 4.067 ( 0.658 0.094 1.610) 1.742 4.378 ( 2.393 0.550 -0.304) 2.474 4.378 ( 2.393 0.550 0.304) 2.474 4.560 ( 0.261 -0.717 -2.268) 2.393 4.560 ( 0.261 -0.717 2.268) 2.393 4.962 ( -3.218 1.725 -1.577) 3.977 4.962 ( -3.218 1.725 1.577) 3.977 5.114 ( -2.557 -0.225 -3.078) 4.008 5.114 ( -2.557 -0.225 3.078) 4.008 5.581 ( -1.227 0.974 -1.136) 1.935 5.581 ( -1.227 0.974 1.136) 1.935======================= Grid point 310 (91/129) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( 0.921 1.396 -1.108) 2.006 0.991 ( 0.921 1.396 1.108) 2.006 1.106 ( 5.154 2.228 -0.512) 5.638 1.106 ( 5.154 2.228 0.512) 5.638 1.290 ( 1.259 4.177 -3.260) 5.446 1.290 ( 1.259 4.177 3.260) 5.446 1.489 ( 1.431 0.459 -0.067) 1.504 1.489 ( 1.431 0.459 0.067) 1.504 1.524 ( 1.074 1.203 -0.275) 1.636 1.524 ( 1.074 1.203 0.275) 1.636 1.744 ( 1.815 -2.296 -2.024) 3.559 1.744 ( 1.815 -2.296 2.024) 3.559 1.805 ( 0.035 -4.641 -0.386) 4.657 1.805 ( 0.035 -4.641 0.386) 4.657 2.482 ( -0.257 0.040 -17.208) 17.210 2.482 ( -0.257 0.040 17.208) 17.210 2.556 ( 13.170 -0.246 -2.078) 13.335 2.556 ( 13.170 -0.246 2.078) 13.335 3.429 ( -5.171 0.362 -4.559) 6.904 3.429 ( -5.171 0.362 4.559) 6.904 3.739 ( 1.818 0.218 -1.188) 2.182 3.739 ( 1.818 0.218 1.188) 2.182 3.833 ( 3.903 0.106 -1.922) 4.351 3.833 ( 3.903 0.106 1.922) 4.351 4.089 ( 1.464 -0.106 -2.421) 2.831 4.089 ( 1.464 -0.106 2.421) 2.831 4.425 ( 2.628 0.454 -2.131) 3.414 4.425 ( 2.628 0.454 2.131) 3.414 4.563 ( -0.367 -0.361 -1.746) 1.821 4.563 ( -0.367 -0.361 1.746) 1.821 4.881 ( -4.259 0.951 -2.809) 5.190 4.881 ( -4.259 0.951 2.809) 5.190 5.074 ( -1.641 -0.098 -1.239) 2.059 5.074 ( -1.641 -0.098 1.239) 2.059 5.558 ( -0.548 1.308 -2.338) 2.735 5.558 ( -0.548 1.308 2.338) 2.735======================= Grid point 312 (92/129) =======================q-point: ( 0.42 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.989 ( -0.158 0.838 -1.290) 1.546 0.989 ( -0.158 0.838 1.290) 1.546 1.130 ( -0.671 2.027 -1.144) 2.423 1.130 ( -0.671 2.027 1.144) 2.423 1.316 ( 3.133 3.456 -5.271) 7.039 1.316 ( 3.133 3.456 5.271) 7.039 1.505 ( 0.562 0.442 -2.834) 2.923 1.505 ( 0.562 0.442 2.834) 2.923 1.540 ( 0.732 0.340 -1.521) 1.722 1.540 ( 0.732 0.340 1.521) 1.722 1.736 ( -2.067 -2.821 -1.209) 3.700 1.736 ( -2.067 -2.821 1.209) 3.700 1.865 ( 2.205 -2.644 -0.966) 3.576 1.865 ( 2.205 -2.644 0.966) 3.576 2.463 ( -0.959 0.514 -17.000) 17.035 2.463 ( -0.959 0.514 17.000) 17.035 2.746 ( 6.067 -0.264 -1.820) 6.339 2.746 ( 6.067 -0.264 1.820) 6.339 3.348 ( -2.714 0.341 -4.249) 5.053 3.348 ( -2.714 0.341 4.249) 5.053 3.762 ( 0.653 0.249 -2.007) 2.125 3.762 ( 0.653 0.249 2.007) 2.125 3.922 ( 4.881 0.383 -2.107) 5.330 3.922 ( 4.881 0.383 2.107) 5.330 4.114 ( 0.868 -0.296 -4.289) 4.386 4.114 ( 0.868 -0.296 4.289) 4.386 4.472 ( 2.267 0.347 -5.063) 5.558 4.472 ( 2.267 0.347 5.063) 5.558 4.549 ( -1.080 -0.133 -1.857) 2.152 4.549 ( -1.080 -0.133 1.857) 2.152 4.798 ( -3.607 0.393 -6.688) 7.609 4.798 ( -3.607 0.393 6.688) 7.609 5.050 ( -0.894 -0.034 -0.943) 1.300 5.050 ( -0.894 -0.034 0.943) 1.300 5.544 ( -0.332 0.869 -3.121) 3.257 5.544 ( -0.332 0.869 3.121) 3.257======================= Grid point 314 (93/129) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.985 ( 0.000 -0.000 -1.138) 1.138 0.985 ( 0.000 -0.000 1.138) 1.138 1.110 ( 0.000 -0.000 -1.275) 1.275 1.110 ( 0.000 -0.000 1.275) 1.275 1.342 ( 0.000 -0.000 -5.856) 5.856 1.342 ( 0.000 -0.000 5.856) 5.856 1.509 ( 0.000 -0.000 -4.186) 4.186 1.509 ( 0.000 0.000 4.186) 4.186 1.546 ( 0.000 -0.000 -2.387) 2.387 1.546 ( 0.000 -0.000 2.387) 2.387 1.721 ( 0.000 -0.000 -0.171) 0.171 1.721 ( 0.000 -0.000 0.171) 0.171 1.894 ( 0.000 -0.000 -0.426) 0.426 1.894 ( 0.000 -0.000 0.426) 0.426 2.451 ( 0.000 -0.000 -16.861) 16.861 2.451 ( 0.000 -0.000 16.861) 16.861 2.803 ( 0.000 -0.000 -1.557) 1.557 2.803 ( 0.000 -0.000 1.557) 1.557 3.322 ( 0.000 -0.000 -4.177) 4.177 3.322 ( 0.000 -0.000 4.177) 4.177 3.766 ( 0.000 -0.000 -2.241) 2.241 3.766 ( 0.000 -0.000 2.241) 2.241 3.978 ( 0.000 -0.000 -0.625) 0.625 3.978 ( 0.000 -0.000 0.625) 0.625 4.123 ( 0.000 -0.000 -6.778) 6.778 4.123 ( 0.000 -0.000 6.778) 6.778 4.496 ( 0.000 -0.000 -7.522) 7.522 4.496 ( 0.000 -0.000 7.522) 7.522 4.536 ( 0.000 -0.000 -2.231) 2.231 4.536 ( 0.000 -0.000 2.231) 2.231 4.757 ( 0.000 -0.000 -9.489) 9.489 4.757 ( 0.000 -0.000 9.489) 9.489 5.041 ( 0.000 -0.000 -1.081) 1.081 5.041 ( 0.000 -0.000 1.081) 1.081 5.538 ( 0.000 -0.000 -3.373) 3.373 5.538 ( 0.000 -0.000 3.373) 3.373======================= Grid point 330 (94/129) =======================q-point: ( 0.08 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( 11.476 0.000 -6.040) 12.968 0.769 ( 11.476 0.000 6.040) 12.968 0.872 ( 5.914 0.000 -7.644) 9.664 0.872 ( 5.914 0.000 7.644) 9.664 1.210 ( 5.253 0.000 -1.897) 5.585 1.210 ( 5.253 0.000 1.897) 5.585 1.430 ( 1.191 0.000 -3.554) 3.748 1.430 ( 1.191 0.000 3.554) 3.748 1.504 ( 0.912 0.000 -0.012) 0.912 1.504 ( 0.912 0.000 0.012) 0.912 1.535 ( 4.671 0.000 -0.555) 4.704 1.535 ( 4.671 0.000 0.555) 4.704 1.840 ( 11.367 0.000 -4.802) 12.340 1.840 ( 11.367 0.000 4.802) 12.340 1.892 ( 3.862 0.000 -0.727) 3.930 1.892 ( 3.862 0.000 0.727) 3.930 2.464 ( 0.602 0.000 -16.148) 16.159 2.464 ( 0.602 0.000 16.148) 16.159 3.527 ( 2.404 0.000 -1.599) 2.887 3.527 ( 2.404 0.000 1.599) 2.887 3.614 ( 6.791 0.000 -1.345) 6.923 3.614 ( 6.791 0.000 1.345) 6.923 3.783 ( -3.125 -0.000 -2.954) 4.300 3.783 ( -3.125 -0.000 2.954) 4.300 4.053 ( 1.430 0.000 -0.666) 1.578 4.053 ( 1.430 0.000 0.666) 1.578 4.354 ( 0.464 0.000 -3.080) 3.114 4.354 ( 0.464 0.000 3.080) 3.114 4.547 ( 0.088 0.000 -3.347) 3.348 4.547 ( 0.088 0.000 3.347) 3.348 5.033 ( -2.130 -0.000 -4.162) 4.675 5.033 ( -2.130 -0.000 4.162) 4.675 5.169 ( -3.359 -0.000 -4.226) 5.399 5.169 ( -3.359 -0.000 4.226) 5.399 5.618 ( -1.948 -0.000 -0.287) 1.969 5.618 ( -1.948 -0.000 0.287) 1.969======================= Grid point 332 (95/129) =======================q-point: ( 0.17 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.953 ( 5.325 0.330 -0.587) 5.367 0.953 ( 5.325 0.330 0.587) 5.367 0.995 ( 8.364 0.881 -0.682) 8.438 0.995 ( 8.364 0.881 0.682) 8.438 1.286 ( 2.758 0.013 -0.763) 2.862 1.286 ( 2.758 0.013 0.763) 2.862 1.458 ( 1.689 0.029 -1.377) 2.180 1.458 ( 1.689 0.029 1.377) 2.180 1.531 ( 1.448 0.904 -0.310) 1.735 1.531 ( 1.448 0.904 0.310) 1.735 1.633 ( 5.419 -0.326 -0.450) 5.448 1.633 ( 5.419 -0.326 0.450) 5.448 1.805 ( -3.826 -1.001 -1.748) 4.324 1.805 ( -3.826 -1.001 1.748) 4.324 2.231 ( 18.703 -0.127 -3.212) 18.977 2.231 ( 18.703 -0.127 3.212) 18.977 2.480 ( 0.768 -0.270 -16.178) 16.198 2.480 ( 0.768 -0.270 16.178) 16.198 3.525 ( -3.229 0.023 -4.380) 5.442 3.525 ( -3.229 0.023 4.380) 5.442 3.701 ( 2.309 0.007 -1.546) 2.779 3.701 ( 2.309 0.007 1.546) 2.779 3.769 ( 2.392 -0.102 -2.365) 3.365 3.769 ( 2.392 -0.102 2.365) 3.365 4.068 ( 0.626 0.037 -1.633) 1.749 4.068 ( 0.626 0.037 1.633) 1.749 4.382 ( 2.253 0.209 -0.172) 2.269 4.382 ( 2.253 0.209 0.172) 2.269 4.554 ( 0.470 -0.275 -2.376) 2.437 4.554 ( 0.470 -0.275 2.376) 2.437 4.975 ( -3.719 0.639 -1.649) 4.118 4.975 ( -3.719 0.639 1.649) 4.118 5.112 ( -2.459 -0.099 -2.518) 3.521 5.112 ( -2.459 -0.099 2.518) 3.521 5.588 ( -1.051 0.369 -1.073) 1.547 5.588 ( -1.051 0.369 1.073) 1.547======================= Grid point 334 (96/129) =======================q-point: ( 0.25 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( 0.829 0.549 -1.632) 1.911 1.001 ( 0.829 0.549 1.632) 1.911 1.128 ( 4.804 1.723 -0.489) 5.127 1.128 ( 4.804 1.723 0.489) 5.127 1.325 ( 2.100 2.315 -3.246) 4.506 1.325 ( 2.100 2.315 3.246) 4.506 1.492 ( 1.668 0.082 -0.101) 1.673 1.492 ( 1.668 0.082 0.101) 1.673 1.542 ( 0.577 1.839 -0.719) 2.057 1.542 ( 0.577 1.839 0.719) 2.057 1.724 ( 0.595 -1.356 -2.195) 2.648 1.724 ( 0.595 -1.356 2.195) 2.648 1.759 ( 0.803 -3.725 -0.896) 3.915 1.759 ( 0.803 -3.725 0.896) 3.915 2.482 ( 0.278 0.024 -17.310) 17.312 2.482 ( 0.278 0.024 17.310) 17.312 2.554 ( 12.976 -0.128 -2.257) 13.172 2.554 ( 12.976 -0.128 2.257) 13.172 3.432 ( -5.126 0.204 -4.574) 6.873 3.432 ( -5.126 0.204 4.574) 6.873 3.741 ( 1.888 0.129 -1.263) 2.275 3.741 ( 1.888 0.129 1.263) 2.275 3.834 ( 4.078 0.055 -1.952) 4.521 3.834 ( 4.078 0.055 1.952) 4.521 4.088 ( 1.364 -0.055 -2.422) 2.780 4.088 ( 1.364 -0.055 2.422) 2.780 4.429 ( 2.573 0.253 -2.174) 3.378 4.429 ( 2.573 0.253 2.174) 3.378 4.560 ( -0.201 -0.209 -1.832) 1.855 4.560 ( -0.201 -0.209 1.832) 1.855 4.889 ( -4.616 0.547 -2.422) 5.241 4.889 ( -4.616 0.547 2.422) 5.241 5.073 ( -1.597 -0.057 -0.681) 1.737 5.073 ( -1.597 -0.057 0.681) 1.737 5.570 ( -0.675 0.760 -2.335) 2.547 5.570 ( -0.675 0.760 2.335) 2.547======================= Grid point 336 (97/129) =======================q-point: ( 0.33 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( -0.572 0.598 -1.354) 1.587 0.997 ( -0.572 0.598 1.354) 1.587 1.152 ( -0.794 1.911 -1.239) 2.412 1.152 ( -0.794 1.911 1.239) 2.412 1.346 ( 1.109 2.192 -5.064) 5.629 1.346 ( 1.109 2.192 5.064) 5.629 1.510 ( 0.272 0.428 -2.442) 2.494 1.510 ( 0.272 0.428 2.442) 2.494 1.545 ( 0.406 0.488 -0.641) 0.902 1.545 ( 0.406 0.488 0.641) 0.902 1.709 ( -0.604 -2.047 -0.524) 2.198 1.709 ( -0.604 -2.047 0.524) 2.198 1.838 ( 3.245 -2.333 -1.375) 4.226 1.838 ( 3.245 -2.333 1.375) 4.226 2.468 ( -1.040 0.346 -17.148) 17.183 2.468 ( -1.040 0.346 17.148) 17.183 2.743 ( 6.158 -0.189 -1.978) 6.471 2.743 ( 6.158 -0.189 1.978) 6.471 3.351 ( -2.830 0.244 -4.226) 5.092 3.351 ( -2.830 0.244 4.226) 5.092 3.764 ( 0.573 0.182 -2.091) 2.176 3.764 ( 0.573 0.182 2.091) 2.176 3.926 ( 4.897 0.280 -2.087) 5.330 3.926 ( 4.897 0.280 2.087) 5.330 4.112 ( 0.847 -0.214 -4.321) 4.408 4.112 ( 0.847 -0.214 4.321) 4.408 4.475 ( 2.148 0.240 -5.148) 5.584 4.475 ( 2.148 0.240 5.148) 5.584 4.548 ( -0.993 -0.086 -1.884) 2.131 4.548 ( -0.993 -0.086 1.884) 2.131 4.801 ( -3.847 0.284 -6.544) 7.596 4.801 ( -3.847 0.284 6.544) 7.596 5.050 ( -0.867 -0.021 -0.979) 1.308 5.050 ( -0.867 -0.021 0.979) 1.308 5.552 ( -0.714 0.637 -3.138) 3.281 5.552 ( -0.714 0.637 3.138) 3.281======================= Grid point 338 (98/129) =======================q-point: ( 0.42 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.985 ( -0.373 0.010 -1.169) 1.227 0.985 ( -0.373 0.010 1.169) 1.227 1.116 ( -1.153 1.043 -1.250) 1.995 1.116 ( -1.153 1.043 1.250) 1.995 1.333 ( -2.405 -1.537 -5.837) 6.498 1.333 ( -2.405 -1.537 5.837) 6.498 1.508 ( -0.204 -0.085 -4.025) 4.031 1.508 ( -0.204 -0.085 4.025) 4.031 1.545 ( -0.200 -0.073 -2.033) 2.044 1.545 ( -0.200 -0.073 2.033) 2.044 1.729 ( 2.120 1.302 -0.539) 2.546 1.729 ( 2.120 1.302 0.539) 2.546 1.891 ( 1.329 -0.542 -0.882) 1.685 1.891 ( 1.329 -0.542 0.882) 1.685 2.451 ( -0.408 -0.053 -16.956) 16.961 2.451 ( -0.408 -0.053 16.956) 16.961 2.803 ( 0.162 0.000 -1.590) 1.598 2.803 ( 0.162 0.000 1.590) 1.598 3.322 ( -0.214 -0.004 -4.173) 4.179 3.322 ( -0.214 -0.004 4.173) 4.179 3.766 ( -0.162 -0.008 -2.239) 2.245 3.766 ( -0.162 -0.008 2.239) 2.245 3.978 ( -0.375 0.001 -0.634) 0.736 3.978 ( -0.375 0.001 0.634) 0.736 4.123 ( 0.310 0.004 -6.774) 6.781 4.123 ( 0.310 0.004 6.774) 6.781 4.496 ( -0.225 -0.010 -7.503) 7.506 4.496 ( -0.225 -0.010 7.503) 7.506 4.536 ( 0.071 0.019 -2.210) 2.211 4.536 ( 0.071 0.019 2.210) 2.211 4.757 ( -0.185 -0.005 -9.489) 9.491 4.757 ( -0.185 -0.005 9.489) 9.491 5.041 ( 0.011 0.001 -1.080) 1.080 5.041 ( 0.011 0.001 1.080) 1.080 5.538 ( -0.488 0.003 -3.373) 3.408 5.538 ( -0.488 0.003 3.373) 3.408======================= Grid point 340 (99/129) =======================q-point: (-0.50 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.980 ( -0.450 -0.845 -1.226) 1.556 0.980 ( -0.450 -0.845 1.226) 1.556 1.112 ( 0.181 -1.367 -1.021) 1.715 1.112 ( 0.181 -1.367 1.021) 1.715 1.276 ( -4.450 -3.904 -5.458) 8.052 1.276 ( -4.450 -3.904 5.458) 8.052 1.501 ( -0.763 -0.356 -2.813) 2.936 1.501 ( -0.763 -0.356 2.813) 2.936 1.538 ( -0.719 -0.077 -1.758) 1.901 1.538 ( -0.719 -0.077 1.758) 1.901 1.766 ( 2.421 2.674 -1.464) 3.893 1.766 ( 2.421 2.674 1.464) 3.893 1.891 ( -0.805 2.309 -0.381) 2.475 1.891 ( -0.805 2.309 0.381) 2.475 2.457 ( 0.882 -0.571 -16.941) 16.973 2.457 ( 0.882 -0.571 16.941) 16.973 2.749 ( -5.954 0.271 -1.680) 6.192 2.749 ( -5.954 0.271 1.680) 6.192 3.344 ( 2.577 -0.349 -4.266) 4.997 3.344 ( 2.577 -0.349 4.266) 4.997 3.759 ( -0.737 -0.250 -1.907) 2.059 3.759 ( -0.737 -0.250 1.907) 2.059 3.918 ( -4.877 -0.383 -2.133) 5.337 3.918 ( -4.877 -0.383 2.133) 5.337 4.118 ( -0.883 0.299 -4.243) 4.344 4.118 ( -0.883 0.299 4.243) 4.344 4.468 ( -2.415 -0.370 -4.958) 5.527 4.468 ( -2.415 -0.370 4.958) 5.527 4.550 ( 1.175 0.151 -1.832) 2.182 4.550 ( 1.175 0.151 1.832) 2.182 4.793 ( 3.331 -0.400 -6.851) 7.629 4.793 ( 3.331 -0.400 6.851) 7.629 5.050 ( 0.929 0.041 -0.826) 1.244 5.050 ( 0.929 0.041 0.826) 1.244 5.535 ( -0.109 -0.868 -3.082) 3.204 5.535 ( -0.109 -0.868 3.082) 3.204======================= Grid point 342 (100/129) =======================q-point: (-0.42 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( -1.620 -2.292 -0.213) 2.815 0.972 ( -1.620 -2.292 0.213) 2.815 1.085 ( -4.778 -1.616 -0.198) 5.047 1.085 ( -4.778 -1.616 0.198) 5.047 1.242 ( -0.737 -4.646 -3.372) 5.788 1.242 ( -0.737 -4.646 3.372) 5.788 1.483 ( -1.309 -0.596 -0.252) 1.460 1.483 ( -1.309 -0.596 0.252) 1.460 1.516 ( -1.572 -0.483 -0.151) 1.652 1.516 ( -1.572 -0.483 0.151) 1.652 1.770 ( -1.641 2.527 -1.791) 3.505 1.770 ( -1.641 2.527 1.791) 3.505 1.852 ( -0.509 4.105 -0.169) 4.140 1.852 ( -0.509 4.105 0.169) 4.140 2.481 ( 0.970 -0.047 -17.061) 17.089 2.481 ( 0.970 -0.047 17.061) 17.089 2.559 ( -13.372 0.328 -1.831) 13.501 2.559 ( -13.372 0.328 1.831) 13.501 3.425 ( 5.229 -0.434 -4.537) 6.937 3.425 ( 5.229 -0.434 4.537) 6.937 3.737 ( -1.724 -0.243 -1.081) 2.050 3.737 ( -1.724 -0.243 1.081) 2.050 3.832 ( -3.657 -0.140 -1.889) 4.118 3.832 ( -3.657 -0.140 1.889) 4.118 4.090 ( -1.599 0.140 -2.406) 2.893 4.090 ( -1.599 0.140 2.406) 2.893 4.419 ( -2.694 -0.552 -2.053) 3.432 4.419 ( -2.694 -0.552 2.053) 3.432 4.567 ( 0.578 0.417 -1.653) 1.801 4.567 ( 0.578 0.417 1.653) 1.801 4.870 ( 3.773 -1.105 -3.305) 5.136 4.870 ( 3.773 -1.105 3.305) 5.136 5.075 ( 1.686 0.113 -1.601) 2.328 5.075 ( 1.686 0.113 1.601) 2.328 5.543 ( 0.392 -1.498 -2.283) 2.759 5.543 ( 0.392 -1.498 2.283) 2.759======================= Grid point 344 (101/129) =======================q-point: (-0.33 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.910 ( -7.332 -3.373 -4.436) 9.209 0.910 ( -7.332 -3.373 4.436) 9.209 0.986 ( -4.281 0.534 -3.565) 5.596 0.986 ( -4.281 0.534 3.565) 5.596 1.259 ( -0.718 -3.094 -0.878) 3.295 1.259 ( -0.718 -3.094 0.878) 3.295 1.456 ( -1.729 -0.261 -2.552) 3.093 1.456 ( -1.729 -0.261 2.552) 3.093 1.494 ( -1.072 -1.679 -1.995) 2.819 1.494 ( -1.072 -1.679 1.995) 2.819 1.670 ( -6.091 3.318 -0.936) 6.999 1.670 ( -6.091 3.318 0.936) 6.999 1.841 ( 0.259 1.468 -2.157) 2.622 1.841 ( 0.259 1.468 2.157) 2.622 2.237 ( -18.593 0.433 -2.163) 18.723 2.237 ( -18.593 0.433 2.163) 18.723 2.495 ( 0.447 1.088 -16.423) 16.465 2.495 ( 0.447 1.088 16.423) 16.465 3.523 ( 3.573 -0.154 -4.280) 5.577 3.523 ( 3.573 -0.154 4.280) 5.577 3.700 ( -2.048 -0.041 -1.228) 2.388 3.700 ( -2.048 -0.041 1.228) 2.388 3.775 ( -2.201 0.448 -2.060) 3.047 3.775 ( -2.201 0.448 2.060) 3.047 4.066 ( -0.710 -0.114 -1.555) 1.713 4.066 ( -0.710 -0.114 1.555) 1.713 4.371 ( -2.594 -0.718 -0.357) 2.716 4.371 ( -2.594 -0.718 0.357) 2.716 4.569 ( 0.045 0.905 -2.115) 2.301 4.569 ( 0.045 0.905 2.115) 2.301 4.940 ( 2.391 -2.338 -1.675) 3.740 4.940 ( 2.391 -2.338 1.675) 3.740 5.116 ( 2.672 0.233 -3.680) 4.554 5.116 ( 2.672 0.233 3.680) 4.554 5.569 ( 1.570 -1.252 -1.148) 2.314 5.569 ( 1.570 -1.252 1.148) 2.314======================= Grid point 346 (102/129) =======================q-point: (-0.25 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.751 ( -9.228 -0.809 -6.522) 11.329 0.751 ( -9.228 -0.809 6.522) 11.329 0.900 ( -4.509 2.057 -6.288) 8.006 0.900 ( -4.509 2.057 6.288) 8.006 1.222 ( -4.212 0.146 -1.554) 4.491 1.222 ( -4.212 0.146 1.554) 4.491 1.425 ( -1.558 -0.403 -4.124) 4.427 1.425 ( -1.558 -0.403 4.124) 4.427 1.488 ( -0.445 -1.365 -2.466) 2.853 1.488 ( -0.445 -1.365 2.466) 2.853 1.539 ( -5.429 1.097 -1.122) 5.651 1.539 ( -5.429 1.097 1.122) 5.651 1.804 ( -9.865 -2.276 -3.445) 10.695 1.804 ( -9.865 -2.276 3.445) 10.695 1.912 ( -7.807 0.761 -0.871) 7.893 1.912 ( -7.807 0.761 0.871) 7.893 2.492 ( 0.293 2.353 -16.175) 16.348 2.492 ( 0.293 2.353 16.175) 16.348 3.529 ( -2.390 0.178 -1.558) 2.859 3.529 ( -2.390 0.178 1.558) 2.859 3.622 ( -6.593 0.617 -1.235) 6.736 3.622 ( -6.593 0.617 1.235) 6.736 3.781 ( 2.859 -0.098 -2.965) 4.120 3.781 ( 2.859 -0.098 2.965) 4.120 4.054 ( -1.141 0.141 -0.581) 1.288 4.054 ( -1.141 0.141 0.581) 1.288 4.338 ( -1.020 -1.313 -2.896) 3.339 4.338 ( -1.020 -1.313 2.896) 3.339 4.565 ( 0.258 1.382 -3.329) 3.613 4.565 ( 0.258 1.382 3.329) 3.613 4.987 ( 0.939 -3.849 -2.854) 4.883 4.987 ( 0.939 -3.849 2.854) 4.883 5.175 ( 3.412 0.429 -4.546) 5.700 5.175 ( 3.412 0.429 4.546) 5.700 5.616 ( 2.791 -0.091 -0.608) 2.858 5.616 ( 2.791 -0.091 0.608) 2.858======================= Grid point 348 (103/129) =======================q-point: (-0.17 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( -6.620 2.866 -8.315) 11.008 0.587 ( -6.620 2.866 8.315) 11.008 0.793 ( -4.526 3.459 -9.877) 11.401 0.793 ( -4.526 3.459 9.877) 11.401 1.110 ( -5.591 1.758 -5.010) 7.710 1.110 ( -5.591 1.758 5.010) 7.710 1.388 ( -4.115 -0.967 -2.290) 4.807 1.388 ( -4.115 -0.967 2.290) 4.807 1.443 ( -3.164 -0.216 -6.505) 7.237 1.443 ( -3.164 -0.216 6.505) 7.237 1.504 ( 0.664 -0.845 -2.422) 2.650 1.504 ( 0.664 -0.845 2.422) 2.650 1.576 ( -7.243 -0.923 -2.385) 7.681 1.576 ( -7.243 -0.923 2.385) 7.681 1.904 ( 0.954 -2.796 -2.439) 3.831 1.904 ( 0.954 -2.796 2.439) 3.831 2.485 ( 0.446 2.953 -15.972) 16.249 2.485 ( 0.446 2.953 15.972) 16.249 3.464 ( -6.261 0.105 -0.653) 6.295 3.464 ( -6.261 0.105 0.653) 6.295 3.476 ( -4.223 0.350 -0.126) 4.239 3.476 ( -4.223 0.350 0.126) 4.239 3.841 ( 2.706 -0.160 -3.137) 4.146 3.841 ( 2.706 -0.160 3.137) 4.146 4.012 ( -2.666 0.341 -0.240) 2.698 4.012 ( -2.666 0.341 0.240) 2.698 4.345 ( 0.533 -1.680 -5.168) 5.460 4.345 ( 0.533 -1.680 5.168) 5.460 4.565 ( 0.531 1.458 -5.447) 5.664 4.565 ( 0.531 1.458 5.447) 5.664 5.024 ( 0.608 -4.646 -3.520) 5.861 5.024 ( 0.608 -4.646 3.520) 5.861 5.234 ( 2.615 0.291 -3.582) 4.445 5.234 ( 2.615 0.291 3.582) 4.445 5.667 ( 2.417 1.011 -1.700) 3.123 5.667 ( 2.417 1.011 1.700) 3.123======================= Grid point 350 (104/129) =======================q-point: (-0.08 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.495 ( 0.000 4.276 -10.606) 11.435 0.495 ( 0.000 4.276 10.606) 11.435 0.724 ( 0.000 2.633 -12.507) 12.781 0.724 ( 0.000 2.633 12.507) 12.781 1.040 ( 0.000 1.355 -8.292) 8.402 1.040 ( 0.000 1.355 8.292) 8.402 1.321 ( -0.000 -0.515 -0.510) 0.725 1.321 ( -0.000 -0.515 0.510) 0.725 1.426 ( -0.000 -0.098 -12.235) 12.235 1.426 ( -0.000 -0.098 12.235) 12.235 1.496 ( -0.000 -0.819 -0.885) 1.206 1.496 ( -0.000 -0.819 0.885) 1.206 1.548 ( -0.000 -0.666 -2.926) 3.001 1.548 ( -0.000 -0.666 2.926) 3.001 1.932 ( -0.000 -2.837 -2.296) 3.650 1.932 ( -0.000 -2.837 2.296) 3.650 2.476 ( 0.000 2.469 -15.906) 16.096 2.476 ( 0.000 2.469 15.906) 16.096 3.376 ( 0.000 0.096 -0.122) 0.155 3.376 ( 0.000 0.096 0.122) 0.155 3.444 ( 0.000 0.028 -0.957) 0.958 3.444 ( 0.000 0.028 0.957) 0.958 3.872 ( 0.000 0.011 -3.783) 3.783 3.872 ( 0.000 0.011 3.783) 3.783 3.977 ( 0.000 0.148 -0.333) 0.364 3.977 ( 0.000 0.148 0.333) 0.364 4.360 ( -0.000 -1.306 -5.680) 5.828 4.360 ( -0.000 -1.306 5.680) 5.828 4.565 ( 0.000 1.128 -6.597) 6.693 4.565 ( 0.000 1.128 6.597) 6.693 5.054 ( -0.000 -3.882 -3.538) 5.252 5.054 ( -0.000 -3.882 3.538) 5.252 5.261 ( -0.000 -0.026 -2.400) 2.400 5.261 ( -0.000 -0.026 2.400) 2.400 5.687 ( 0.000 1.121 -2.384) 2.634 5.687 ( 0.000 1.121 2.384) 2.634======================= Grid point 356 (105/129) =======================q-point: ( 0.17 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( 0.879 0.000 -1.770) 1.976 1.004 ( 0.879 0.000 1.770) 1.976 1.138 ( 4.523 0.000 -0.032) 4.523 1.138 ( 4.523 0.000 0.032) 4.523 1.337 ( 2.560 0.000 -3.246) 4.134 1.337 ( 2.560 0.000 3.246) 4.134 1.492 ( 1.751 0.000 -0.020) 1.751 1.492 ( 1.751 0.000 0.020) 1.751 1.554 ( 0.496 0.000 -0.989) 1.106 1.554 ( 0.496 0.000 0.989) 1.106 1.717 ( -2.253 -0.000 -1.832) 2.904 1.717 ( -2.253 -0.000 1.832) 2.904 1.737 ( 3.311 0.000 -0.295) 3.324 1.737 ( 3.311 0.000 0.295) 3.324 2.482 ( 0.475 0.000 -17.346) 17.353 2.482 ( 0.475 0.000 17.346) 17.353 2.554 ( 12.898 0.000 -2.322) 13.105 2.554 ( 12.898 0.000 2.322) 13.105 3.433 ( -5.108 -0.000 -4.579) 6.860 3.433 ( -5.108 -0.000 4.579) 6.860 3.742 ( 1.914 0.000 -1.289) 2.307 3.742 ( 1.914 0.000 1.289) 2.307 3.835 ( 4.141 0.000 -1.964) 4.583 3.835 ( 4.141 0.000 1.964) 4.583 4.088 ( 1.328 0.000 -2.420) 2.761 4.088 ( 1.328 0.000 2.420) 2.761 4.430 ( 2.552 0.000 -2.187) 3.360 4.430 ( 2.552 0.000 2.187) 3.360 4.559 ( -0.137 -0.000 -1.868) 1.873 4.559 ( -0.137 -0.000 1.868) 1.873 4.892 ( -4.747 -0.000 -2.270) 5.262 4.892 ( -4.747 -0.000 2.270) 5.262 5.073 ( -1.578 -0.000 -0.014) 1.578 5.073 ( -1.578 -0.000 0.014) 1.578 5.574 ( -0.723 -0.000 -2.326) 2.436 5.574 ( -0.723 -0.000 2.326) 2.436======================= Grid point 358 (106/129) =======================q-point: ( 0.25 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( -0.762 0.215 -1.389) 1.598 1.001 ( -0.762 0.215 1.389) 1.598 1.167 ( -0.705 0.801 -1.270) 1.659 1.167 ( -0.705 0.801 1.270) 1.659 1.362 ( -0.500 0.707 -4.868) 4.944 1.362 ( -0.500 0.707 4.868) 4.944 1.513 ( 0.123 0.201 -1.928) 1.942 1.513 ( 0.123 0.201 1.928) 1.942 1.549 ( -0.449 0.213 -0.671) 0.834 1.549 ( -0.449 0.213 0.671) 0.834 1.695 ( 1.281 -0.678 -0.132) 1.455 1.695 ( 1.281 -0.678 0.132) 1.455 1.819 ( 3.708 -0.999 -1.553) 4.143 1.819 ( 3.708 -0.999 1.553) 4.143 2.470 ( -1.093 0.121 -17.270) 17.305 2.470 ( -1.093 0.121 17.270) 17.305 2.742 ( 6.209 -0.068 -2.085) 6.550 2.742 ( 6.209 -0.068 2.085) 6.550 3.353 ( -2.896 0.088 -4.210) 5.111 3.353 ( -2.896 0.088 4.210) 5.111 3.765 ( 0.524 0.066 -2.139) 2.203 3.765 ( 0.524 0.066 2.139) 2.203 3.928 ( 4.911 0.102 -2.077) 5.333 3.928 ( 4.911 0.102 2.077) 5.333 4.110 ( 0.831 -0.078 -4.335) 4.415 4.110 ( 0.831 -0.078 4.335) 4.415 4.477 ( 2.082 0.085 -5.195) 5.597 4.477 ( 2.082 0.085 5.195) 5.597 4.547 ( -0.942 -0.029 -1.900) 2.121 4.547 ( -0.942 -0.029 1.900) 2.121 4.804 ( -3.985 0.103 -6.461) 7.592 4.804 ( -3.985 0.103 6.461) 7.592 5.050 ( -0.853 -0.007 -0.978) 1.297 5.050 ( -0.853 -0.007 0.978) 1.297 5.557 ( -0.933 0.233 -3.142) 3.286 5.557 ( -0.933 0.233 3.142) 3.286======================= Grid point 360 (107/129) =======================q-point: ( 0.33 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.985 ( -0.659 0.010 -1.209) 1.377 0.985 ( -0.659 0.010 1.209) 1.377 1.129 ( -1.920 1.227 -1.083) 2.523 1.129 ( -1.920 1.227 1.083) 2.523 1.314 ( -4.087 -1.692 -5.849) 7.334 1.314 ( -4.087 -1.692 5.849) 7.334 1.507 ( -0.362 -0.071 -3.767) 3.785 1.507 ( -0.362 -0.071 3.767) 3.785 1.545 ( -0.133 -0.058 -1.423) 1.430 1.545 ( -0.133 -0.058 1.423) 1.430 1.744 ( 3.209 1.341 -0.665) 3.541 1.744 ( 3.209 1.341 0.665) 3.541 1.885 ( 2.424 -0.639 -1.443) 2.892 1.885 ( 2.424 -0.639 1.443) 2.892 2.450 ( -0.711 -0.053 -17.145) 17.160 2.450 ( -0.711 -0.053 17.145) 17.160 2.803 ( 0.280 0.000 -1.652) 1.676 2.803 ( 0.280 0.000 1.652) 1.676 3.322 ( -0.370 -0.004 -4.165) 4.182 3.322 ( -0.370 -0.004 4.165) 4.182 3.766 ( -0.281 -0.008 -2.235) 2.253 3.766 ( -0.281 -0.008 2.235) 2.253 3.978 ( -0.649 0.001 -0.650) 0.918 3.978 ( -0.649 0.001 0.650) 0.918 4.123 ( 0.537 0.004 -6.765) 6.786 4.123 ( 0.537 0.004 6.765) 6.786 4.496 ( -0.389 -0.010 -7.464) 7.474 4.496 ( -0.389 -0.010 7.464) 7.474 4.536 ( 0.122 0.019 -2.168) 2.172 4.536 ( 0.122 0.019 2.168) 2.172 4.757 ( -0.320 -0.005 -9.490) 9.495 4.757 ( -0.320 -0.005 9.490) 9.495 5.041 ( 0.020 0.001 -1.079) 1.079 5.041 ( 0.020 0.001 1.079) 1.079 5.538 ( -0.845 0.003 -3.372) 3.476 5.538 ( -0.845 0.003 3.372) 3.476======================= Grid point 362 (108/129) =======================q-point: (-0.58 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( -1.065 -0.604 -1.187) 1.705 0.972 ( -1.065 -0.604 1.187) 1.705 1.102 ( -0.624 -0.484 -0.924) 1.215 1.102 ( -0.624 -0.484 0.925) 1.215 1.238 ( -4.799 -3.238 -5.703) 8.126 1.238 ( -4.799 -3.238 5.703) 8.126 1.498 ( -0.833 -0.227 -2.610) 2.749 1.498 ( -0.833 -0.227 2.610) 2.749 1.538 ( -0.740 0.041 -1.604) 1.767 1.538 ( -0.740 0.041 1.604) 1.767 1.790 ( 2.143 1.839 -1.181) 3.061 1.790 ( 2.143 1.839 1.181) 3.061 1.912 ( 0.535 1.579 -0.456) 1.729 1.912 ( 0.535 1.579 0.456) 1.729 2.452 ( 0.829 -0.460 -17.005) 17.031 2.452 ( 0.829 -0.460 17.005) 17.031 2.751 ( -5.850 0.202 -1.595) 6.067 2.751 ( -5.850 0.202 1.595) 6.067 3.341 ( 2.456 -0.261 -4.274) 4.936 3.341 ( 2.456 -0.261 4.274) 4.936 3.757 ( -0.804 -0.184 -1.818) 1.996 3.757 ( -0.804 -0.184 1.818) 1.996 3.915 ( -4.885 -0.281 -2.158) 5.348 3.915 ( -4.885 -0.281 2.158) 5.348 4.120 ( -0.888 0.222 -4.194) 4.292 4.120 ( -0.888 0.222 4.194) 4.292 4.464 ( -2.551 -0.285 -4.863) 5.499 4.464 ( -2.551 -0.285 4.863) 5.499 4.552 ( 1.255 0.121 -1.817) 2.212 4.552 ( 1.255 0.121 1.817) 2.212 4.790 ( 3.092 -0.297 -6.991) 7.650 4.790 ( 3.092 -0.297 6.991) 7.650 5.051 ( 0.963 0.035 -0.619) 1.146 5.051 ( 0.963 0.035 0.619) 1.146 5.527 ( -0.492 -0.635 -3.028) 3.133 5.527 ( -0.492 -0.635 3.028) 3.133======================= Grid point 364 (109/129) =======================q-point: (-0.50 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.946 ( -2.646 -2.366 -0.596) 3.599 0.946 ( -2.646 -2.366 0.596) 3.599 1.072 ( -3.881 -0.966 -0.749) 4.069 1.072 ( -3.881 -0.966 0.749) 4.069 1.197 ( -0.588 -3.693 -3.649) 5.225 1.197 ( -0.588 -3.693 3.649) 5.225 1.477 ( -1.356 -0.410 -0.632) 1.551 1.477 ( -1.356 -0.410 0.632) 1.551 1.512 ( -1.876 -0.281 -0.121) 1.900 1.512 ( -1.876 -0.281 0.121) 1.900 1.795 ( -1.051 2.075 -1.497) 2.766 1.795 ( -1.051 2.075 1.497) 2.766 1.889 ( -1.303 2.962 -0.312) 3.251 1.889 ( -1.303 2.962 0.312) 3.251 2.481 ( 1.648 -0.046 -16.902) 16.983 2.481 ( 1.648 -0.046 16.902) 16.983 2.563 ( -13.487 0.327 -1.584) 13.584 2.563 ( -13.487 0.327 1.584) 13.584 3.420 ( 5.282 -0.389 -4.514) 6.959 3.420 ( 5.282 -0.389 4.514) 6.959 3.734 ( -1.633 -0.204 -0.969) 1.909 3.734 ( -1.633 -0.204 0.969) 1.909 3.831 ( -3.406 -0.136 -1.867) 3.886 3.831 ( -3.406 -0.136 1.867) 3.886 4.092 ( -1.731 0.137 -2.377) 2.944 4.092 ( -1.731 0.137 2.377) 2.944 4.414 ( -2.752 -0.504 -1.952) 3.411 4.414 ( -2.752 -0.504 1.952) 3.411 4.571 ( 0.771 0.361 -1.589) 1.803 4.571 ( 0.771 0.361 1.589) 1.803 4.859 ( 3.283 -0.964 -3.787) 5.104 4.859 ( 3.283 -0.964 3.787) 5.104 5.077 ( 1.717 0.101 -1.766) 2.465 5.077 ( 1.717 0.101 1.766) 2.465 5.528 ( 0.255 -1.287 -2.142) 2.512 5.528 ( 0.255 -1.287 2.142) 2.512======================= Grid point 366 (110/129) =======================q-point: (-0.42 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.876 ( -6.343 -2.854 -4.542) 8.307 0.876 ( -6.343 -2.854 4.542) 8.307 0.993 ( -3.507 0.777 -3.297) 4.876 0.993 ( -3.507 0.777 3.297) 4.876 1.220 ( -0.120 -4.022 -1.076) 4.165 1.220 ( -0.120 -4.022 1.076) 4.165 1.452 ( -1.555 -0.426 -3.412) 3.774 1.452 ( -1.555 -0.426 3.412) 3.774 1.480 ( -1.420 -1.035 -2.513) 3.067 1.480 ( -1.420 -1.035 2.513) 3.067 1.710 ( -5.831 4.103 -1.332) 7.253 1.710 ( -5.831 4.103 1.332) 7.253 1.851 ( -1.745 0.411 -2.117) 2.774 1.851 ( -1.745 0.411 2.117) 2.774 2.242 ( -18.600 0.377 -1.546) 18.668 2.242 ( -18.600 0.377 1.546) 18.668 2.507 ( 1.253 1.145 -16.483) 16.570 2.507 ( 1.253 1.145 16.483) 16.570 3.521 ( 3.780 -0.201 -4.218) 5.668 3.521 ( 3.780 -0.201 4.218) 5.668 3.700 ( -1.908 -0.046 -1.016) 2.162 3.700 ( -1.908 -0.046 1.016) 2.162 3.781 ( -1.951 0.491 -1.864) 2.743 3.781 ( -1.951 0.491 1.864) 2.743 4.065 ( -0.765 -0.096 -1.461) 1.652 4.065 ( -0.765 -0.096 1.461) 1.652 4.363 ( -2.778 -0.697 -0.298) 2.879 4.363 ( -2.778 -0.697 0.298) 2.879 4.578 ( 0.325 0.829 -1.986) 2.176 4.578 ( 0.325 0.829 1.986) 2.176 4.915 ( 1.476 -2.337 -2.292) 3.591 4.915 ( 1.476 -2.337 2.292) 3.591 5.118 ( 2.748 0.177 -4.138) 4.971 5.118 ( 2.748 0.177 4.138) 4.971 5.556 ( 2.019 -1.165 -1.023) 2.546 5.556 ( 2.019 -1.165 1.023) 2.546======================= Grid point 368 (111/129) =======================q-point: (-0.33 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( -7.009 0.195 -6.050) 9.261 0.747 ( -7.009 0.195 6.050) 9.261 0.923 ( -3.355 2.201 -5.355) 6.692 0.923 ( -3.355 2.201 5.355) 6.692 1.213 ( -2.633 -1.963 -1.300) 3.532 1.213 ( -2.633 -1.963 1.300) 3.532 1.421 ( -1.836 -0.265 -5.576) 5.877 1.421 ( -1.836 -0.265 5.576) 5.877 1.474 ( -0.112 -1.367 -3.776) 4.017 1.474 ( -0.112 -1.367 3.776) 4.017 1.559 ( -6.756 2.771 -1.295) 7.416 1.559 ( -6.756 2.771 1.295) 7.416 1.781 ( -9.686 -2.072 -2.641) 10.251 1.781 ( -9.686 -2.072 2.641) 10.251 1.916 ( -9.870 -0.034 -1.107) 9.932 1.916 ( -9.870 -0.034 1.107) 9.932 2.519 ( 0.994 2.532 -16.187) 16.414 2.519 ( 0.994 2.532 16.187) 16.414 3.531 ( -2.358 0.138 -1.547) 2.824 3.531 ( -2.358 0.138 1.547) 2.824 3.628 ( -6.388 0.618 -1.114) 6.514 3.628 ( -6.388 0.618 1.114) 6.514 3.780 ( 2.573 0.041 -2.963) 3.924 3.780 ( 2.573 0.041 2.963) 3.924 4.056 ( -0.787 0.255 -0.494) 0.964 4.056 ( -0.787 0.255 0.494) 0.964 4.323 ( -1.526 -1.407 -2.794) 3.481 4.323 ( -1.526 -1.407 2.794) 3.481 4.579 ( 0.427 1.285 -3.468) 3.723 4.579 ( 0.427 1.285 3.468) 3.723 4.944 ( -0.018 -4.185 -2.994) 5.146 4.944 ( -0.018 -4.185 2.994) 5.146 5.179 ( 3.463 0.347 -4.786) 5.918 5.179 ( 3.463 0.347 4.786) 5.918 5.616 ( 3.604 0.025 -0.586) 3.652 5.616 ( 3.604 0.025 0.586) 3.652======================= Grid point 370 (112/129) =======================q-point: (-0.25 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( -4.037 4.272 -6.570) 8.816 0.625 ( -4.037 4.272 6.570) 8.816 0.836 ( -3.694 4.455 -8.424) 10.220 0.836 ( -3.694 4.455 8.424) 10.220 1.131 ( -5.015 2.054 -3.774) 6.604 1.131 ( -5.015 2.054 3.774) 6.604 1.375 ( -4.381 -1.512 -2.370) 5.206 1.375 ( -4.381 -1.512 2.370) 5.206 1.441 ( -3.076 -0.147 -6.227) 6.947 1.441 ( -3.076 -0.147 6.227) 6.947 1.494 ( 0.141 -1.052 -4.022) 4.160 1.494 ( 0.141 -1.052 4.022) 4.160 1.565 ( -7.043 -0.990 -2.357) 7.493 1.565 ( -7.043 -0.990 2.357) 7.493 1.869 ( -0.345 -3.659 -2.815) 4.629 1.869 ( -0.345 -3.659 2.815) 4.629 2.520 ( 0.838 3.558 -15.896) 16.311 2.520 ( 0.838 3.558 15.896) 16.311 3.465 ( -5.642 0.053 -0.698) 5.685 3.465 ( -5.642 0.053 0.698) 5.685 3.480 ( -5.133 0.492 -0.187) 5.160 3.480 ( -5.133 0.492 0.187) 5.160 3.840 ( 2.879 -0.060 -3.038) 4.185 3.840 ( 2.879 -0.060 3.038) 4.185 4.016 ( -2.694 0.579 -0.298) 2.771 4.016 ( -2.694 0.579 0.298) 2.771 4.325 ( 0.350 -2.137 -5.187) 5.621 4.325 ( 0.350 -2.137 5.187) 5.621 4.581 ( 0.489 1.443 -6.050) 6.238 4.581 ( 0.489 1.443 6.050) 6.238 4.968 ( -0.009 -5.595 -3.937) 6.841 4.968 ( -0.009 -5.595 3.937) 6.841 5.238 ( 2.508 0.384 -4.046) 4.776 5.238 ( 2.508 0.384 4.046) 4.776 5.680 ( 2.980 1.341 -1.736) 3.701 5.680 ( 2.980 1.341 1.736) 3.701======================= Grid point 372 (113/129) =======================q-point: (-0.17 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.555 ( 0.000 6.741 -7.695) 10.229 0.555 ( 0.000 6.741 7.695) 10.229 0.763 ( 0.000 4.670 -11.480) 12.394 0.763 ( 0.000 4.670 11.480) 12.394 1.060 ( 0.000 2.468 -7.051) 7.471 1.060 ( 0.000 2.468 7.051) 7.471 1.312 ( -0.000 -1.130 -0.308) 1.172 1.312 ( -0.000 -1.130 0.308) 1.172 1.425 ( -0.000 -0.173 -11.476) 11.478 1.425 ( -0.000 -0.173 11.476) 11.478 1.484 ( -0.000 -1.402 -0.891) 1.661 1.484 ( -0.000 -1.402 0.891) 1.661 1.538 ( -0.000 -1.197 -4.974) 5.116 1.538 ( -0.000 -1.197 4.974) 5.116 1.892 ( -0.000 -4.545 -2.576) 5.224 1.892 ( -0.000 -4.545 2.576) 5.224 2.510 ( 0.000 3.763 -15.761) 16.204 2.510 ( 0.000 3.763 15.761) 16.204 3.378 ( 0.000 0.168 -0.121) 0.207 3.378 ( 0.000 0.168 0.121) 0.207 3.445 ( 0.000 0.048 -0.984) 0.985 3.445 ( 0.000 0.048 0.984) 0.985 3.873 ( 0.000 0.209 -3.719) 3.725 3.873 ( 0.000 0.209 3.719) 3.725 3.979 ( 0.000 0.255 -0.328) 0.415 3.979 ( 0.000 0.255 0.328) 0.415 4.342 ( -0.000 -2.089 -5.604) 5.980 4.342 ( -0.000 -2.089 5.604) 5.980 4.579 ( 0.000 1.451 -7.155) 7.300 4.579 ( 0.000 1.451 7.155) 7.300 5.000 ( -0.000 -5.996 -4.088) 7.258 5.000 ( -0.000 -5.996 4.088) 7.258 5.262 ( 0.000 0.210 -3.314) 3.321 5.262 ( 0.000 0.210 3.314) 3.321 5.702 ( 0.000 1.760 -2.565) 3.111 5.702 ( 0.000 1.760 2.565) 3.111======================= Grid point 382 (114/129) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.985 ( -0.768 -0.000 -1.220) 1.441 0.985 ( -0.768 -0.000 1.220) 1.441 1.137 ( -2.152 -0.000 -0.896) 2.332 1.137 ( -2.152 -0.000 0.896) 2.332 1.304 ( -4.700 -0.000 -5.898) 7.541 1.304 ( -4.700 -0.000 5.898) 7.541 1.507 ( -0.422 -0.000 -3.664) 3.688 1.507 ( -0.422 -0.000 3.664) 3.688 1.544 ( -0.054 -0.000 -1.156) 1.157 1.544 ( -0.054 -0.000 1.156) 1.157 1.752 ( 3.447 0.000 -0.538) 3.489 1.752 ( 3.447 0.000 0.538) 3.489 1.881 ( 2.889 0.000 -1.676) 3.340 1.881 ( 2.889 0.000 1.676) 3.340 2.450 ( -0.823 -0.000 -17.239) 17.259 2.450 ( -0.823 -0.000 17.239) 17.259 2.803 ( 0.324 0.000 -1.683) 1.714 2.803 ( 0.324 0.000 1.683) 1.714 3.322 ( -0.427 -0.000 -4.162) 4.183 3.322 ( -0.427 -0.000 4.162) 4.183 3.766 ( -0.324 -0.000 -2.234) 2.257 3.766 ( -0.324 -0.000 2.234) 2.257 3.978 ( -0.749 -0.000 -0.657) 0.997 3.978 ( -0.749 -0.000 0.657) 0.997 4.123 ( 0.620 0.000 -6.760) 6.789 4.123 ( 0.620 0.000 6.760) 6.789 4.496 ( -0.449 -0.000 -7.445) 7.458 4.496 ( -0.449 -0.000 7.445) 7.458 4.536 ( 0.140 0.000 -2.148) 2.153 4.536 ( 0.140 0.000 2.148) 2.153 4.757 ( -0.369 -0.000 -9.490) 9.498 4.757 ( -0.369 -0.000 9.490) 9.498 5.041 ( 0.023 0.000 -1.078) 1.078 5.041 ( 0.023 0.000 1.078) 1.078 5.538 ( -0.976 -0.000 -3.371) 3.510 5.538 ( -0.976 -0.000 3.371) 3.510======================= Grid point 384 (115/129) =======================q-point: (-0.67 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( -1.438 -0.214 -1.166) 1.864 0.968 ( -1.438 -0.214 1.166) 1.864 1.100 ( -1.383 -0.010 -0.951) 1.678 1.100 ( -1.383 -0.010 0.951) 1.678 1.212 ( -4.596 -1.326 -5.989) 7.665 1.212 ( -4.596 -1.326 5.989) 7.665 1.496 ( -0.848 -0.078 -2.461) 2.604 1.496 ( -0.848 -0.078 2.461) 2.604 1.538 ( -0.782 0.028 -1.417) 1.619 1.538 ( -0.782 0.028 1.417) 1.619 1.803 ( 1.823 0.647 -0.544) 2.010 1.803 ( 1.823 0.647 0.544) 2.010 1.924 ( 1.355 0.566 -0.927) 1.737 1.924 ( 1.355 0.566 0.927) 1.737 2.448 ( 0.805 -0.178 -17.098) 17.118 2.448 ( 0.805 -0.178 17.098) 17.118 2.753 ( -5.788 0.075 -1.560) 5.995 2.753 ( -5.788 0.075 1.560) 5.995 3.339 ( 2.385 -0.097 -4.275) 4.896 3.339 ( 2.385 -0.097 4.275) 4.896 3.755 ( -0.839 -0.068 -1.767) 1.957 3.755 ( -0.839 -0.068 1.767) 1.957 3.913 ( -4.894 -0.103 -2.174) 5.356 3.913 ( -4.894 -0.103 2.174) 5.356 4.122 ( -0.888 0.082 -4.162) 4.256 4.122 ( -0.888 0.082 4.162) 4.256 4.462 ( -2.634 -0.107 -4.806) 5.482 4.462 ( -2.634 -0.107 4.806) 5.482 4.553 ( 1.299 0.047 -1.812) 2.231 4.553 ( 1.299 0.047 1.812) 2.231 4.788 ( 2.953 -0.110 -7.072) 7.664 4.788 ( 2.953 -0.110 7.072) 7.664 5.051 ( 0.984 0.014 -0.396) 1.061 5.051 ( 0.984 0.014 0.396) 1.061 5.522 ( -0.714 -0.232 -2.988) 3.081 5.522 ( -0.714 -0.232 2.988) 3.081======================= Grid point 386 (116/129) =======================q-point: (-0.58 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.925 ( -3.371 -1.450 -0.939) 3.788 0.925 ( -3.371 -1.450 0.939) 3.788 1.064 ( -3.167 -0.544 -1.131) 3.406 1.064 ( -3.167 -0.544 1.131) 3.406 1.167 ( -0.608 -1.924 -4.012) 4.491 1.167 ( -0.608 -1.924 4.012) 4.491 1.474 ( -1.409 -0.191 -0.904) 1.685 1.474 ( -1.409 -0.191 0.904) 1.685 1.510 ( -2.080 -0.164 -0.087) 2.088 1.510 ( -2.080 -0.164 0.087) 2.088 1.812 ( -0.514 1.151 -1.235) 1.765 1.812 ( -0.514 1.151 1.235) 1.765 1.913 ( -1.981 1.540 -0.422) 2.545 1.913 ( -1.981 1.540 0.422) 2.545 2.480 ( 2.115 -0.030 -16.778) 16.911 2.480 ( 2.115 -0.030 16.778) 16.911 2.566 ( -13.508 0.209 -1.400) 13.582 2.566 ( -13.508 0.209 1.400) 13.582 3.417 ( 5.319 -0.230 -4.496) 6.969 3.417 ( 5.319 -0.230 4.496) 6.969 3.733 ( -1.567 -0.115 -0.882) 1.802 3.733 ( -1.567 -0.115 0.882) 1.802 3.829 ( -3.219 -0.085 -1.858) 3.718 3.829 ( -3.219 -0.085 1.858) 3.718 4.093 ( -1.826 0.086 -2.346) 2.974 4.093 ( -1.826 0.086 2.346) 2.974 4.409 ( -2.790 -0.303 -1.861) 3.368 4.409 ( -2.790 -0.303 1.861) 3.368 4.575 ( 0.901 0.209 -1.560) 1.814 4.575 ( 0.901 0.209 1.560) 1.814 4.850 ( 2.921 -0.561 -4.142) 5.099 4.850 ( 2.921 -0.561 4.142) 5.099 5.077 ( 1.733 0.060 -1.797) 2.497 5.077 ( 1.733 0.060 1.797) 2.497 5.517 ( 0.168 -0.739 -1.965) 2.106 5.517 ( 0.168 -0.739 1.965) 2.106======================= Grid point 388 (117/129) =======================q-point: (-0.50 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.852 ( -5.111 -1.724 -4.140) 6.799 0.852 ( -5.111 -1.724 4.140) 6.799 1.001 ( -2.884 0.617 -2.598) 3.930 1.001 ( -2.884 0.617 2.598) 3.930 1.180 ( -0.189 -3.268 -1.349) 3.541 1.180 ( -0.189 -3.268 1.349) 3.541 1.448 ( -1.424 -0.327 -4.220) 4.466 1.448 ( -1.424 -0.327 4.220) 4.466 1.471 ( -1.733 -0.626 -2.495) 3.102 1.471 ( -1.733 -0.626 2.495) 3.102 1.752 ( -4.955 3.827 -1.692) 6.485 1.752 ( -4.955 3.827 1.692) 6.485 1.849 ( -3.621 -0.683 -1.891) 4.142 1.849 ( -3.621 -0.683 1.891) 4.142 2.245 ( -18.673 0.230 -1.124) 18.708 2.245 ( -18.673 0.230 1.124) 18.708 2.518 ( 1.883 0.872 -16.455) 16.585 2.518 ( 1.883 0.872 16.455) 16.585 3.519 ( 3.932 -0.175 -4.173) 5.737 3.519 ( 3.932 -0.175 4.173) 5.737 3.699 ( -1.812 -0.036 -0.846) 2.000 3.699 ( -1.812 -0.036 0.846) 2.000 3.785 ( -1.669 0.385 -1.713) 2.423 3.785 ( -1.669 0.385 1.713) 2.423 4.064 ( -0.810 -0.058 -1.346) 1.572 4.064 ( -0.810 -0.058 1.346) 1.572 4.357 ( -2.906 -0.505 -0.195) 2.956 4.357 ( -2.906 -0.505 0.195) 2.956 4.585 ( 0.506 0.560 -1.910) 2.053 4.585 ( 0.506 0.560 1.910) 2.053 4.893 ( 0.714 -1.715 -3.134) 3.644 4.893 ( 0.714 -1.715 3.134) 3.644 5.120 ( 2.782 0.105 -4.445) 5.245 5.120 ( 2.782 0.105 4.445) 5.245 5.545 ( 2.447 -0.800 -0.764) 2.686 5.545 ( 2.447 -0.800 0.764) 2.686======================= Grid point 390 (118/129) =======================q-point: (-0.42 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( -4.771 1.005 -4.927) 6.931 0.754 ( -4.771 1.005 4.927) 6.931 0.946 ( -2.250 2.168 -4.626) 5.582 0.946 ( -2.250 2.168 4.626) 5.582 1.183 ( -1.407 -3.444 -1.178) 3.902 1.183 ( -1.407 -3.444 1.178) 3.902 1.419 ( -1.779 -0.084 -6.573) 6.810 1.419 ( -1.779 -0.084 6.573) 6.810 1.460 ( -0.014 -1.138 -4.297) 4.446 1.460 ( -0.014 -1.138 4.297) 4.446 1.595 ( -8.229 3.803 -1.375) 9.169 1.595 ( -8.229 3.803 1.375) 9.169 1.760 ( -9.058 -1.867 -1.790) 9.420 1.760 ( -9.058 -1.867 1.790) 9.420 1.912 ( -11.821 -0.602 -1.059) 11.884 1.912 ( -11.821 -0.602 1.059) 11.884 2.543 ( 1.553 2.056 -16.192) 16.396 2.543 ( 1.553 2.056 16.192) 16.396 3.532 ( -2.307 0.063 -1.560) 2.785 3.532 ( -2.307 0.063 1.560) 2.785 3.634 ( -6.179 0.440 -0.976) 6.271 3.634 ( -6.179 0.440 0.976) 6.271 3.782 ( 2.262 0.181 -2.947) 3.719 3.782 ( 2.262 0.181 2.947) 3.719 4.059 ( -0.349 0.315 -0.455) 0.655 4.059 ( -0.349 0.315 0.455) 0.655 4.309 ( -2.054 -1.196 -2.770) 3.650 4.309 ( -2.054 -1.196 2.770) 3.650 4.591 ( 0.438 0.851 -3.744) 3.864 4.591 ( 0.438 0.851 3.744) 3.864 4.903 ( -0.716 -3.389 -4.139) 5.397 4.903 ( -0.716 -3.389 4.139) 5.397 5.182 ( 3.511 0.217 -5.014) 6.125 5.182 ( 3.511 0.217 5.014) 6.125 5.616 ( 4.386 0.118 -0.445) 4.411 5.616 ( 4.386 0.118 0.445) 4.411======================= Grid point 392 (119/129) =======================q-point: (-0.33 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( -1.833 4.614 -4.141) 6.465 0.673 ( -1.833 4.614 4.141) 6.465 0.884 ( -2.470 4.595 -7.054) 8.774 0.884 ( -2.470 4.595 7.054) 8.774 1.148 ( -3.318 0.852 -2.567) 4.281 1.148 ( -3.318 0.852 2.567) 4.281 1.359 ( -5.391 -1.177 -2.870) 6.220 1.359 ( -5.391 -1.177 2.870) 6.220 1.439 ( -3.107 -0.067 -5.741) 6.528 1.439 ( -3.107 -0.067 5.741) 6.528 1.483 ( -0.497 -1.077 -6.210) 6.322 1.483 ( -0.497 -1.077 6.210) 6.322 1.557 ( -7.077 -0.376 -1.866) 7.328 1.557 ( -7.077 -0.376 1.866) 7.328 1.829 ( -1.614 -3.799 -3.104) 5.164 1.829 ( -1.614 -3.799 3.104) 5.164 2.557 ( 1.179 3.154 -15.891) 16.244 2.557 ( 1.179 3.154 15.891) 16.244 3.465 ( -5.286 0.002 -0.710) 5.333 3.465 ( -5.286 0.002 0.710) 5.333 3.486 ( -5.764 0.451 -0.255) 5.787 3.486 ( -5.764 0.451 0.255) 5.787 3.840 ( 3.129 0.117 -2.924) 4.284 3.840 ( 3.129 0.117 2.924) 4.284 4.023 ( -2.774 0.752 -0.311) 2.891 4.023 ( -2.774 0.752 0.311) 2.891 4.302 ( 0.114 -2.156 -5.469) 5.880 4.302 ( 0.114 -2.156 5.469) 5.880 4.594 ( 0.332 0.857 -7.164) 7.223 4.594 ( 0.332 0.857 7.164) 7.223 4.913 ( -0.366 -4.670 -4.856) 6.747 4.913 ( -0.366 -4.670 4.856) 6.747 5.241 ( 2.487 0.332 -4.397) 5.063 5.241 ( 2.487 0.332 4.397) 5.063 5.694 ( 3.525 1.330 -1.604) 4.095 5.694 ( 3.525 1.330 1.604) 4.095======================= Grid point 394 (120/129) =======================q-point: (-0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.629 ( 0.000 7.036 -4.456) 8.329 0.629 ( 0.000 7.036 4.456) 8.329 0.819 ( 0.000 5.727 -10.222) 11.717 0.819 ( 0.000 5.727 10.222) 11.717 1.090 ( 0.000 3.073 -5.159) 6.005 1.090 ( 0.000 3.073 5.159) 6.005 1.297 ( -0.000 -1.862 -0.144) 1.868 1.297 ( -0.000 -1.862 0.144) 1.868 1.423 ( -0.000 -0.126 -10.717) 10.718 1.423 ( -0.000 -0.126 10.717) 10.718 1.468 ( -0.000 -1.550 -1.050) 1.872 1.468 ( -0.000 -1.550 1.050) 1.872 1.524 ( -0.000 -1.458 -6.562) 6.722 1.524 ( -0.000 -1.458 6.562) 6.722 1.841 ( -0.000 -4.993 -3.015) 5.832 1.841 ( -0.000 -4.993 3.015) 5.832 2.551 ( 0.000 3.769 -15.711) 16.157 2.551 ( 0.000 3.769 15.711) 16.157 3.380 ( 0.000 0.198 -0.124) 0.234 3.380 ( 0.000 0.198 0.124) 0.234 3.445 ( 0.000 0.052 -1.019) 1.020 3.445 ( 0.000 0.052 1.019) 1.020 3.877 ( 0.000 0.549 -3.664) 3.705 3.877 ( 0.000 0.549 3.664) 3.705 3.982 ( 0.000 0.292 -0.318) 0.432 3.982 ( 0.000 0.292 0.318) 0.432 4.318 ( -0.000 -2.369 -5.883) 6.342 4.318 ( -0.000 -2.369 5.883) 6.342 4.593 ( 0.000 0.985 -8.492) 8.549 4.593 ( 0.000 0.985 8.492) 8.549 4.937 ( -0.000 -5.626 -4.970) 7.507 4.937 ( -0.000 -5.626 4.970) 7.507 5.265 ( 0.000 0.340 -3.940) 3.954 5.265 ( 0.000 0.340 3.940) 3.954 5.722 ( 0.000 1.884 -2.487) 3.120 5.722 ( 0.000 1.884 2.487) 3.120======================= Grid point 408 (121/129) =======================q-point: (-0.67 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( -3.615 -0.000 -1.017) 3.756 0.917 ( -3.615 -0.000 1.017) 3.756 1.061 ( -2.913 -0.000 -1.274) 3.179 1.061 ( -2.913 -0.000 1.274) 3.179 1.157 ( -0.635 -0.000 -4.189) 4.236 1.157 ( -0.635 -0.000 4.189) 4.236 1.473 ( -1.426 -0.000 -1.003) 1.743 1.473 ( -1.426 -0.000 1.003) 1.743 1.509 ( -2.159 -0.000 -0.063) 2.160 1.509 ( -2.159 -0.000 0.063) 2.160 1.819 ( -0.304 -0.000 -1.128) 1.168 1.819 ( -0.304 -0.000 1.128) 1.168 1.921 ( -2.245 -0.000 -0.459) 2.291 1.921 ( -2.245 -0.000 0.459) 2.291 2.480 ( 2.279 0.000 -16.731) 16.886 2.480 ( 2.279 0.000 16.731) 16.886 2.567 ( -13.500 -0.000 -1.332) 13.566 2.567 ( -13.500 -0.000 1.332) 13.566 3.416 ( 5.332 0.000 -4.490) 6.970 3.416 ( 5.332 0.000 4.490) 6.970 3.732 ( -1.544 -0.000 -0.849) 1.762 3.732 ( -1.544 -0.000 0.849) 1.762 3.829 ( -3.151 -0.000 -1.856) 3.657 3.829 ( -3.151 -0.000 1.856) 3.657 4.093 ( -1.860 -0.000 -2.332) 2.983 4.093 ( -1.860 -0.000 2.332) 2.983 4.408 ( -2.803 -0.000 -1.824) 3.345 4.408 ( -2.803 -0.000 1.824) 3.345 4.576 ( 0.947 0.000 -1.553) 1.819 4.576 ( 0.947 0.000 1.553) 1.819 4.847 ( 2.788 0.000 -4.273) 5.102 4.847 ( 2.788 0.000 4.273) 5.102 5.078 ( 1.738 0.000 -1.791) 2.495 5.078 ( 1.738 0.000 1.791) 2.495 5.513 ( 0.138 0.000 -1.879) 1.884 5.513 ( 0.138 0.000 1.879) 1.884======================= Grid point 412 (122/129) =======================q-point: (-0.58 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( -4.269 -0.552 -3.660) 5.650 0.840 ( -4.269 -0.552 3.660) 5.650 1.005 ( -2.429 0.231 -1.499) 2.864 1.005 ( -2.429 0.231 1.499) 2.864 1.156 ( -0.507 -1.249 -1.518) 2.030 1.156 ( -0.507 -1.249 1.518) 2.030 1.445 ( -1.368 -0.109 -4.755) 4.949 1.445 ( -1.368 -0.109 4.755) 4.949 1.467 ( -1.901 -0.230 -2.319) 3.007 1.467 ( -1.901 -0.230 2.319) 3.007 1.786 ( -3.400 2.108 -1.922) 4.438 1.786 ( -3.400 2.108 1.922) 4.438 1.839 ( -5.594 -0.988 -1.244) 5.815 1.839 ( -5.594 -0.988 1.244) 5.815 2.247 ( -18.743 0.073 -0.926) 18.766 2.247 ( -18.743 0.073 0.926) 18.766 2.525 ( 2.216 0.326 -16.406) 16.558 2.525 ( 2.216 0.326 16.406) 16.558 3.518 ( 4.009 -0.069 -4.151) 5.771 3.518 ( 4.009 -0.069 4.151) 5.771 3.699 ( -1.765 -0.013 -0.754) 1.919 3.699 ( -1.765 -0.013 0.754) 1.919 3.788 ( -1.481 0.146 -1.634) 2.210 3.788 ( -1.481 0.146 1.634) 2.210 4.063 ( -0.835 -0.019 -1.260) 1.511 4.063 ( -0.835 -0.019 1.260) 1.511 4.353 ( -2.970 -0.185 -0.166) 2.981 4.353 ( -2.970 -0.185 0.166) 2.981 4.589 ( 0.583 0.195 -1.880) 1.978 4.589 ( 0.583 0.195 1.880) 1.978 4.880 ( 0.289 -0.629 -3.702) 3.766 4.880 ( 0.289 -0.629 3.702) 3.766 5.120 ( 2.791 0.034 -4.601) 5.382 5.120 ( 2.791 0.034 4.601) 5.382 5.539 ( 2.709 -0.282 -0.485) 2.767 5.539 ( 2.709 -0.282 0.485) 2.767======================= Grid point 414 (123/129) =======================q-point: (-0.50 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.766 ( -3.142 0.941 -3.634) 4.896 0.766 ( -3.142 0.941 3.634) 4.896 0.967 ( -1.205 1.676 -4.124) 4.611 0.967 ( -1.205 1.676 4.124) 4.611 1.148 ( -1.102 -2.897 -1.038) 3.268 1.148 ( -1.102 -2.897 1.038) 3.268 1.419 ( -1.568 0.033 -7.052) 7.225 1.419 ( -1.568 0.033 7.052) 7.225 1.450 ( -0.070 -0.720 -3.875) 3.942 1.450 ( -0.070 -0.720 3.875) 3.942 1.633 ( -9.702 3.181 -1.280) 10.290 1.633 ( -9.702 3.181 1.280) 10.290 1.741 ( -7.637 -1.588 -1.136) 7.882 1.741 ( -7.637 -1.588 1.136) 7.882 1.905 ( -13.444 -0.597 -0.797) 13.481 1.905 ( -13.444 -0.597 0.797) 13.481 2.560 ( 1.892 1.136 -16.194) 16.344 2.560 ( 1.892 1.136 16.194) 16.344 3.532 ( -2.257 0.013 -1.580) 2.755 3.532 ( -2.257 0.013 1.580) 2.755 3.638 ( -6.025 0.212 -0.865) 6.091 3.638 ( -6.025 0.212 0.865) 6.091 3.784 ( 2.015 0.167 -2.929) 3.559 3.784 ( 2.015 0.167 2.929) 3.559 4.062 ( 0.044 0.230 -0.524) 0.574 4.062 ( 0.044 0.230 0.524) 0.574 4.299 ( -2.489 -0.703 -2.830) 3.834 4.299 ( -2.489 -0.703 2.830) 3.834 4.597 ( 0.334 0.369 -4.034) 4.064 4.597 ( 0.334 0.369 4.034) 4.064 4.875 ( -1.034 -1.836 -5.128) 5.544 4.875 ( -1.034 -1.836 5.128) 5.544 5.184 ( 3.541 0.097 -5.182) 6.277 5.184 ( 3.541 0.097 5.182) 6.277 5.618 ( 4.940 0.104 -0.283) 4.949 5.618 ( 4.940 0.104 0.283) 4.949======================= Grid point 416 (124/129) =======================q-point: (-0.42 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.717 ( -0.471 3.558 -1.686) 3.965 0.717 ( -0.471 3.558 1.686) 3.965 0.931 ( -1.318 4.094 -6.323) 7.647 0.931 ( -1.318 4.094 6.323) 7.647 1.146 ( -0.788 -1.208 -1.793) 2.301 1.146 ( -0.788 -1.208 1.793) 2.301 1.353 ( -6.975 -0.107 -3.390) 7.756 1.353 ( -6.975 -0.107 3.390) 7.756 1.439 ( -2.971 0.070 -4.968) 5.789 1.439 ( -2.971 0.070 4.968) 5.789 1.471 ( -1.309 -1.095 -7.681) 7.868 1.471 ( -1.309 -1.095 7.681) 7.868 1.558 ( -7.432 0.501 -1.179) 7.542 1.558 ( -7.432 0.501 1.179) 7.542 1.791 ( -2.468 -3.154 -3.069) 5.046 1.791 ( -2.468 -3.154 3.069) 5.046 2.585 ( 1.411 2.110 -15.920) 16.121 2.585 ( 1.411 2.110 15.920) 16.121 3.465 ( -5.136 -0.020 -0.700) 5.183 3.465 ( -5.136 -0.020 0.700) 5.183 3.490 ( -6.095 0.293 -0.282) 6.108 3.490 ( -6.095 0.293 0.282) 6.108 3.842 ( 3.383 0.188 -2.819) 4.408 3.842 ( 3.383 0.188 2.819) 4.408 4.031 ( -2.893 0.706 -0.242) 2.987 4.031 ( -2.893 0.706 0.242) 2.987 4.281 ( -0.121 -1.695 -5.904) 6.144 4.281 ( -0.121 -1.695 5.904) 6.144 4.599 ( 0.099 0.228 -8.448) 8.451 4.599 ( 0.099 0.228 8.448) 8.451 4.873 ( -0.363 -2.776 -5.339) 6.029 4.873 ( -0.363 -2.776 5.339) 6.029 5.244 ( 2.503 0.202 -4.638) 5.274 5.244 ( 2.503 0.202 4.638) 5.274 5.707 ( 3.940 0.978 -1.423) 4.302 5.707 ( 3.940 0.978 1.423) 4.302======================= Grid point 418 (125/129) =======================q-point: (-0.33 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.697 ( 0.000 5.594 -1.865) 5.897 0.697 ( 0.000 5.594 1.865) 5.897 0.880 ( 0.000 5.546 -9.132) 10.684 0.880 ( 0.000 5.546 9.132) 10.684 1.122 ( 0.000 2.931 -3.204) 4.342 1.122 ( 0.000 2.931 3.204) 4.342 1.274 ( -0.000 -2.421 -0.509) 2.474 1.274 ( -0.000 -2.421 0.509) 2.474 1.423 ( 0.000 0.153 -10.228) 10.229 1.423 ( 0.000 0.153 10.228) 10.229 1.453 ( -0.000 -1.234 -1.344) 1.825 1.453 ( -0.000 -1.234 1.344) 1.825 1.508 ( -0.000 -1.463 -7.150) 7.298 1.508 ( -0.000 -1.463 7.150) 7.298 1.791 ( -0.000 -4.343 -3.266) 5.434 1.791 ( -0.000 -4.343 3.266) 5.434 2.587 ( 0.000 2.896 -15.728) 15.992 2.587 ( 0.000 2.896 15.728) 15.992 3.382 ( 0.000 0.175 -0.128) 0.217 3.382 ( 0.000 0.175 0.128) 0.217 3.446 ( 0.000 0.043 -1.053) 1.054 3.446 ( 0.000 0.043 1.053) 1.054 3.884 ( 0.000 0.758 -3.634) 3.712 3.884 ( 0.000 0.758 3.634) 3.712 3.985 ( 0.000 0.252 -0.307) 0.397 3.985 ( 0.000 0.252 0.307) 0.397 4.293 ( -0.000 -2.161 -6.441) 6.794 4.293 ( -0.000 -2.161 6.441) 6.794 4.599 ( 0.000 0.248 -10.293) 10.296 4.599 ( 0.000 0.248 10.293) 10.296 4.887 ( -0.000 -3.696 -5.206) 6.385 4.887 ( -0.000 -3.696 5.206) 6.385 5.269 ( 0.000 0.284 -4.310) 4.319 5.269 ( 0.000 0.284 4.310) 4.319 5.741 ( 0.000 1.571 -2.262) 2.754 5.741 ( 0.000 1.571 2.262) 2.754======================= Grid point 436 (126/129) =======================q-point: (-0.58 0.42 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( -2.555 -0.000 -3.020) 3.956 0.771 ( -2.555 -0.000 3.020) 3.956 0.977 ( -0.646 -0.000 -3.844) 3.898 0.977 ( -0.646 -0.000 3.844) 3.898 1.131 ( -1.228 -0.000 -0.686) 1.407 1.131 ( -1.228 -0.000 0.686) 1.407 1.420 ( -1.466 -0.000 -7.155) 7.303 1.420 ( -1.466 -0.000 7.155) 7.303 1.446 ( -0.115 -0.000 -3.140) 3.142 1.446 ( -0.115 -0.000 3.140) 3.142 1.653 ( -10.859 -0.000 -0.722) 10.883 1.653 ( -10.859 -0.000 0.722) 10.883 1.731 ( -6.330 -0.000 -0.723) 6.371 1.731 ( -6.330 -0.000 0.723) 6.371 1.902 ( -14.131 -0.000 -0.626) 14.145 1.902 ( -14.131 -0.000 0.626) 14.145 2.566 ( 2.004 0.000 -16.194) 16.318 2.566 ( 2.004 0.000 16.194) 16.318 3.532 ( -2.236 -0.000 -1.589) 2.743 3.532 ( -2.236 -0.000 1.589) 2.743 3.639 ( -5.969 -0.000 -0.822) 6.026 3.639 ( -5.969 -0.000 0.822) 6.026 3.785 ( 1.921 0.000 -2.921) 3.496 3.785 ( 1.921 0.000 2.921) 3.496 4.064 ( 0.207 0.000 -0.580) 0.616 4.064 ( 0.207 0.000 0.580) 0.616 4.295 ( -2.664 -0.000 -2.877) 3.921 4.295 ( -2.664 -0.000 2.877) 3.921 4.599 ( 0.269 0.000 -4.159) 4.168 4.599 ( 0.269 0.000 4.159) 4.168 4.865 ( -1.105 -0.000 -5.481) 5.591 4.865 ( -1.105 -0.000 5.481) 5.591 5.184 ( 3.551 0.000 -5.244) 6.333 5.184 ( 3.551 0.000 5.244) 6.333 5.618 ( 5.139 0.000 -0.200) 5.143 5.618 ( 5.139 0.000 0.200) 5.143======================= Grid point 440 (127/129) =======================q-point: (-0.50 0.42 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.744 ( 0.096 1.329 -0.193) 1.346 0.744 ( 0.096 1.329 0.193) 1.346 0.965 ( -0.710 2.004 -6.405) 6.748 0.965 ( -0.710 2.004 6.405) 6.748 1.130 ( 0.918 -1.224 -1.580) 2.200 1.130 ( 0.918 -1.224 1.580) 2.200 1.354 ( -7.864 0.191 -3.629) 8.663 1.354 ( -7.864 0.191 3.629) 8.663 1.441 ( -2.428 0.181 -3.564) 4.316 1.441 ( -2.428 0.181 3.564) 4.316 1.461 ( -2.251 -0.634 -7.401) 7.761 1.461 ( -2.251 -0.634 7.401) 7.761 1.565 ( -7.921 0.456 -0.551) 7.953 1.565 ( -7.921 0.456 0.551) 7.953 1.767 ( -2.766 -1.323 -2.795) 4.149 1.767 ( -2.766 -1.323 2.795) 4.149 2.600 ( 1.524 0.737 -15.944) 16.034 2.600 ( 1.524 0.737 15.944) 16.034 3.465 ( -5.081 -0.011 -0.684) 5.127 3.465 ( -5.081 -0.011 0.684) 5.127 3.492 ( -6.229 0.099 -0.282) 6.236 3.492 ( -6.229 0.099 0.282) 6.236 3.844 ( 3.543 0.089 -2.752) 4.487 3.844 ( 3.543 0.089 2.752) 4.487 4.037 ( -2.985 0.303 -0.092) 3.001 4.037 ( -2.985 0.303 0.092) 3.001 4.268 ( -0.270 -0.664 -6.249) 6.290 4.268 ( -0.270 -0.664 6.249) 6.290 4.600 ( -0.070 -0.008 -9.294) 9.295 4.600 ( -0.070 -0.008 9.294) 9.295 4.854 ( -0.241 -0.871 -5.414) 5.489 4.854 ( -0.241 -0.871 5.414) 5.489 5.246 ( 2.518 0.065 -4.762) 5.387 5.246 ( 2.518 0.065 4.762) 5.387 5.714 ( 4.162 0.360 -1.302) 4.376 5.714 ( 4.162 0.360 1.302) 4.376======================= Grid point 442 (128/129) =======================q-point: (-0.42 0.42 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.743 ( 0.000 3.035 -1.677) 3.468 0.743 ( 0.000 3.035 1.677) 3.468 0.930 ( 0.000 3.708 -8.506) 9.279 0.930 ( 0.000 3.708 8.506) 9.279 1.149 ( 0.000 1.863 -2.197) 2.881 1.149 ( 0.000 1.863 2.197) 2.881 1.249 ( -0.000 -2.009 -0.913) 2.206 1.249 ( -0.000 -2.009 0.913) 2.206 1.427 ( 0.000 0.454 -10.042) 10.052 1.427 ( 0.000 0.454 10.042) 10.052 1.443 ( -0.000 -0.651 -1.595) 1.722 1.443 ( -0.000 -0.651 1.595) 1.722 1.494 ( -0.000 -1.171 -5.779) 5.896 1.494 ( -0.000 -1.171 5.779) 5.896 1.753 ( -0.000 -2.590 -3.127) 4.060 1.753 ( -0.000 -2.590 3.127) 4.060 2.610 ( 0.000 1.546 -15.755) 15.830 2.610 ( 0.000 1.546 15.755) 15.830 3.383 ( 0.000 0.103 -0.131) 0.167 3.383 ( 0.000 0.103 0.131) 0.167 3.446 ( 0.000 0.024 -1.078) 1.078 3.446 ( 0.000 0.024 1.078) 1.078 3.892 ( 0.000 0.567 -3.613) 3.657 3.892 ( 0.000 0.567 3.613) 3.657 3.987 ( 0.000 0.145 -0.298) 0.331 3.987 ( 0.000 0.145 0.298) 0.331 4.274 ( -0.000 -1.337 -6.992) 7.118 4.274 ( -0.000 -1.337 6.992) 7.118 4.599 ( -0.000 -0.119 -11.758) 11.758 4.599 ( -0.000 -0.119 11.758) 11.758 4.859 ( -0.000 -1.632 -4.951) 5.213 4.859 ( -0.000 -1.632 4.951) 5.213 5.271 ( 0.000 0.147 -4.509) 4.511 5.271 ( 0.000 0.147 4.509) 4.511 5.754 ( 0.000 0.895 -2.057) 2.243 5.754 ( 0.000 0.895 2.057) 2.243======================= Grid point 466 (129/129) =======================q-point: ( 0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( 0.000 0.000 -2.218) 2.218 0.759 ( 0.000 0.000 2.218) 2.218 0.951 ( 0.000 0.000 -8.355) 8.355 0.951 ( 0.000 0.000 8.355) 8.355 1.159 ( 0.000 0.000 -2.100) 2.100 1.159 ( 0.000 0.000 2.100) 2.100 1.237 ( 0.000 0.000 -1.120) 1.120 1.237 ( 0.000 0.000 1.120) 1.120 1.430 ( 0.000 0.000 -9.972) 9.972 1.430 ( 0.000 0.000 9.972) 9.972 1.440 ( 0.000 0.000 -1.686) 1.686 1.440 ( 0.000 0.000 1.686) 1.686 1.487 ( 0.000 0.000 -2.828) 2.828 1.487 ( 0.000 0.000 2.828) 2.828 1.739 ( 0.000 0.000 -2.949) 2.949 1.739 ( 0.000 0.000 2.949) 2.949 2.618 ( 0.000 0.000 -15.765) 15.765 2.618 ( 0.000 0.000 15.765) 15.765 3.384 ( 0.000 0.000 -0.132) 0.132 3.384 ( 0.000 0.000 0.132) 0.132 3.446 ( 0.000 0.000 -1.087) 1.087 3.446 ( 0.000 0.000 1.087) 1.087 3.895 ( 0.000 0.000 -3.601) 3.601 3.895 ( 0.000 0.000 3.601) 3.601 3.988 ( 0.000 0.000 -0.294) 0.294 3.988 ( 0.000 0.000 0.294) 0.294 4.267 ( 0.000 0.000 -7.220) 7.220 4.267 ( 0.000 0.000 7.220) 7.220 4.598 ( 0.000 0.000 -12.287) 12.287 4.598 ( 0.000 0.000 12.287) 12.287 4.851 ( 0.000 0.000 -4.796) 4.796 4.851 ( 0.000 0.000 4.796) 4.796 5.272 ( 0.000 0.000 -4.572) 4.572 5.272 ( 0.000 0.000 4.572) 4.572 5.759 ( 0.000 0.000 -1.978) 1.978 5.759 ( 0.000 0.000 1.978) 1.978=================== 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 3/20736 10.0 20.539 17.563 13.021 0.000 0.000 0.000 3/20736 20.0 6.222 3.544 4.010 0.000 0.000 0.000 3/20736 30.0 4.124 1.884 2.682 0.000 0.000 0.000 3/20736 40.0 3.174 1.290 2.103 0.000 0.000 0.000 3/20736 50.0 2.595 0.988 1.753 0.000 0.000 0.000 3/20736 60.0 2.200 0.805 1.512 0.000 0.000 0.000 3/20736 70.0 1.911 0.681 1.332 0.000 0.000 0.000 3/20736 80.0 1.690 0.592 1.192 0.000 0.000 0.000 3/20736 90.0 1.515 0.525 1.079 0.000 0.000 0.000 3/20736 100.0 1.374 0.471 0.986 0.000 0.000 0.000 3/20736 110.0 1.256 0.428 0.907 0.000 0.000 0.000 3/20736 120.0 1.157 0.392 0.840 0.000 0.000 0.000 3/20736 130.0 1.072 0.362 0.782 0.000 0.000 0.000 3/20736 140.0 0.999 0.337 0.731 0.000 0.000 0.000 3/20736 150.0 0.936 0.314 0.687 0.000 0.000 0.000 3/20736 160.0 0.880 0.295 0.648 0.000 0.000 0.000 3/20736 170.0 0.830 0.277 0.612 0.000 0.000 0.000 3/20736 180.0 0.785 0.262 0.581 0.000 0.000 0.000 3/20736 190.0 0.745 0.248 0.552 0.000 0.000 0.000 3/20736 200.0 0.709 0.236 0.526 0.000 0.000 0.000 3/20736 210.0 0.676 0.225 0.503 0.000 0.000 0.000 3/20736 220.0 0.647 0.215 0.481 0.000 0.000 0.000 3/20736 230.0 0.619 0.206 0.461 0.000 0.000 0.000 3/20736 240.0 0.594 0.197 0.443 0.000 0.000 0.000 3/20736 250.0 0.571 0.189 0.426 0.000 0.000 0.000 3/20736 260.0 0.549 0.182 0.410 0.000 0.000 0.000 3/20736 270.0 0.529 0.175 0.396 0.000 0.000 0.000 3/20736 280.0 0.511 0.169 0.382 0.000 0.000 0.000 3/20736 290.0 0.494 0.163 0.370 0.000 0.000 0.000 3/20736 300.0 0.478 0.158 0.358 0.000 0.000 0.000 3/20736 310.0 0.462 0.153 0.347 0.000 0.000 0.000 3/20736 320.0 0.448 0.148 0.336 0.000 0.000 0.000 3/20736 330.0 0.435 0.144 0.326 0.000 0.000 0.000 3/20736 340.0 0.422 0.139 0.317 0.000 0.000 0.000 3/20736 350.0 0.410 0.135 0.308 0.000 0.000 0.000 3/20736 360.0 0.399 0.132 0.300 0.000 0.000 0.000 3/20736 370.0 0.389 0.128 0.292 0.000 0.000 0.000 3/20736 380.0 0.378 0.125 0.284 0.000 0.000 0.000 3/20736 390.0 0.369 0.122 0.277 0.000 0.000 0.000 3/20736 400.0 0.360 0.119 0.271 0.000 0.000 0.000 3/20736 410.0 0.351 0.116 0.264 0.000 0.000 0.000 3/20736 420.0 0.343 0.113 0.258 0.000 0.000 0.000 3/20736 430.0 0.335 0.110 0.252 0.000 0.000 0.000 3/20736 440.0 0.328 0.108 0.247 0.000 0.000 0.000 3/20736 450.0 0.320 0.105 0.241 0.000 0.000 0.000 3/20736 460.0 0.313 0.103 0.236 0.000 0.000 0.000 3/20736 470.0 0.307 0.101 0.231 0.000 0.000 0.000 3/20736 480.0 0.301 0.099 0.226 0.000 0.000 0.000 3/20736 490.0 0.294 0.097 0.222 0.000 0.000 0.000 3/20736 500.0 0.289 0.095 0.218 0.000 0.000 0.000 3/20736 510.0 0.283 0.093 0.213 0.000 0.000 0.000 3/20736 520.0 0.278 0.091 0.209 0.000 0.000 0.000 3/20736 530.0 0.272 0.090 0.205 0.000 0.000 0.000 3/20736 540.0 0.267 0.088 0.202 0.000 0.000 0.000 3/20736 550.0 0.263 0.086 0.198 0.000 0.000 0.000 3/20736 560.0 0.258 0.085 0.195 0.000 0.000 0.000 3/20736 570.0 0.254 0.083 0.191 0.000 0.000 0.000 3/20736 580.0 0.249 0.082 0.188 0.000 0.000 0.000 3/20736 590.0 0.245 0.081 0.185 0.000 0.000 0.000 3/20736 600.0 0.241 0.079 0.182 0.000 0.000 0.000 3/20736 610.0 0.237 0.078 0.179 0.000 0.000 0.000 3/20736 620.0 0.233 0.077 0.176 0.000 0.000 0.000 3/20736 630.0 0.230 0.075 0.173 0.000 0.000 0.000 3/20736 640.0 0.226 0.074 0.171 0.000 0.000 0.000 3/20736 650.0 0.223 0.073 0.168 0.000 0.000 0.000 3/20736 660.0 0.219 0.072 0.166 0.000 0.000 0.000 3/20736 670.0 0.216 0.071 0.163 0.000 0.000 0.000 3/20736 680.0 0.213 0.070 0.161 0.000 0.000 0.000 3/20736 690.0 0.210 0.069 0.158 0.000 0.000 0.000 3/20736 700.0 0.207 0.068 0.156 0.000 0.000 0.000 3/20736 710.0 0.204 0.067 0.154 0.000 0.000 0.000 3/20736 720.0 0.201 0.066 0.152 0.000 0.000 0.000 3/20736 730.0 0.198 0.065 0.150 0.000 0.000 0.000 3/20736 740.0 0.196 0.064 0.148 0.000 0.000 0.000 3/20736 750.0 0.193 0.063 0.146 0.000 0.000 0.000 3/20736 760.0 0.191 0.063 0.144 0.000 0.000 0.000 3/20736 770.0 0.188 0.062 0.142 0.000 0.000 0.000 3/20736 780.0 0.186 0.061 0.140 0.000 0.000 0.000 3/20736 790.0 0.183 0.060 0.139 0.000 0.000 0.000 3/20736 800.0 0.181 0.059 0.137 0.000 0.000 0.000 3/20736 810.0 0.179 0.059 0.135 0.000 0.000 0.000 3/20736 820.0 0.177 0.058 0.134 0.000 0.000 0.000 3/20736 830.0 0.175 0.057 0.132 0.000 0.000 0.000 3/20736 840.0 0.173 0.057 0.130 0.000 0.000 0.000 3/20736 850.0 0.170 0.056 0.129 0.000 0.000 0.000 3/20736 860.0 0.169 0.055 0.127 0.000 0.000 0.000 3/20736 870.0 0.167 0.055 0.126 0.000 0.000 0.000 3/20736 880.0 0.165 0.054 0.125 0.000 0.000 0.000 3/20736 890.0 0.163 0.053 0.123 0.000 0.000 0.000 3/20736 900.0 0.161 0.053 0.122 0.000 0.000 0.000 3/20736 910.0 0.159 0.052 0.121 0.000 0.000 0.000 3/20736 920.0 0.158 0.052 0.119 0.000 0.000 0.000 3/20736 930.0 0.156 0.051 0.118 0.000 0.000 0.000 3/20736 940.0 0.154 0.051 0.117 0.000 0.000 0.000 3/20736 950.0 0.153 0.050 0.115 0.000 0.000 0.000 3/20736 960.0 0.151 0.050 0.114 0.000 0.000 0.000 3/20736 970.0 0.150 0.049 0.113 0.000 0.000 0.000 3/20736 980.0 0.148 0.049 0.112 0.000 0.000 0.000 3/20736 990.0 0.146 0.048 0.111 0.000 0.000 0.000 3/20736 1000.0 0.145 0.048 0.110 0.000 0.000 0.000 3/20736Thermal conductivity related properties were written into "kappa-m12124.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 09:50:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|