----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:52:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 2.168989935000000 -8.383919639999998 0.000000000000000 b 2.168989935000000 8.383919639999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.452693879999998 Atomic positions (fractional): *1 Cs 0.25264445872925 0.74735554127075 0.75000000000000 132.905 2 Cs 0.74735554127075 0.25264445872925 0.25000000000000 132.905 *3 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 4 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 *5 Zn 0.46335065825636 0.53664934174364 0.25000000000000 65.380 6 Zn 0.53664934174364 0.46335065825636 0.75000000000000 65.380 *7 Te 0.93872032092065 0.06127967907935 0.75000000000000 127.600 *8 Te 0.62131521587114 0.37868478412886 0.94315118129650 127.600 9 Te 0.37868478412886 0.62131521587114 0.44315118129650 127.600 10 Te 0.37868478412886 0.62131521587114 0.05684881870350 127.600 11 Te 0.06127967907935 0.93872032092065 0.25000000000000 127.600 12 Te 0.62131521587114 0.37868478412886 0.55684881870350 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.337979870000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.767839279999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.452693879999998 Atomic positions (fractional): *1 Cs 0.50000000000000 0.24735554127075 0.75000000000000 132.905 > 1 2 Cs 0.00000000000000 0.25264445872925 0.25000000000000 132.905 > 2 3 Cs 0.00000000000000 0.74735554127075 0.75000000000000 132.905 > 1 4 Cs 0.50000000000000 0.75264445872925 0.25000000000000 132.905 > 2 *5 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 3 6 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 4 7 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 3 8 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 4 *9 Zn 0.50000000000000 0.03664934174364 0.25000000000000 65.380 > 5 10 Zn 0.00000000000000 0.46335065825636 0.75000000000000 65.380 > 6 11 Zn 0.00000000000000 0.53664934174364 0.25000000000000 65.380 > 5 12 Zn 0.50000000000000 0.96335065825636 0.75000000000000 65.380 > 6 *13 Te 0.00000000000000 0.06127967907935 0.75000000000000 127.600 > 7 *14 Te 0.00000000000000 0.37868478412886 0.94315118129650 127.600 > 8 15 Te 0.50000000000000 0.12131521587114 0.44315118129650 127.600 > 9 16 Te 0.50000000000000 0.12131521587114 0.05684881870350 127.600 > 10 17 Te 0.50000000000000 0.43872032092065 0.25000000000000 127.600 > 11 18 Te 0.00000000000000 0.37868478412886 0.55684881870350 127.600 > 12 19 Te 0.50000000000000 0.56127967907935 0.75000000000000 127.600 > 7 20 Te 0.50000000000000 0.87868478412886 0.94315118129650 127.600 > 8 21 Te 0.00000000000000 0.62131521587114 0.44315118129650 127.600 > 9 22 Te 0.00000000000000 0.62131521587114 0.05684881870350 127.600 > 10 23 Te 0.00000000000000 0.93872032092065 0.25000000000000 127.600 > 11 24 Te 0.50000000000000 0.87868478412886 0.55684881870350 127.600 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.013939610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.767839279999997 0.000000000000000 c 0.000000000000000 0.000000000000000 22.905387759999996 Atomic positions (fractional): *1 Cs 0.16666666666667 0.24735554127075 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.24735554127075 0.37500000000000 132.905 > 1 3 Cs 0.83333333333333 0.24735554127075 0.37500000000000 132.905 > 1 4 Cs 0.16666666666667 0.24735554127075 0.87500000000000 132.905 > 1 5 Cs 0.50000000000000 0.24735554127075 0.87500000000000 132.905 > 1 6 Cs 0.83333333333333 0.24735554127075 0.87500000000000 132.905 > 1 7 Cs 0.00000000000000 0.25264445872925 0.12500000000000 132.905 > 2 8 Cs 0.33333333333333 0.25264445872925 0.12500000000000 132.905 > 2 9 Cs 0.66666666666667 0.25264445872925 0.12500000000000 132.905 > 2 10 Cs 0.00000000000000 0.25264445872925 0.62500000000000 132.905 > 2 11 Cs 0.33333333333333 0.25264445872925 0.62500000000000 132.905 > 2 12 Cs 0.66666666666667 0.25264445872925 0.62500000000000 132.905 > 2 13 Cs 0.00000000000000 0.74735554127075 0.37500000000000 132.905 > 1 14 Cs 0.33333333333333 0.74735554127075 0.37500000000000 132.905 > 1 15 Cs 0.66666666666667 0.74735554127075 0.37500000000000 132.905 > 1 16 Cs 0.00000000000000 0.74735554127075 0.87500000000000 132.905 > 1 17 Cs 0.33333333333333 0.74735554127075 0.87500000000000 132.905 > 1 18 Cs 0.66666666666667 0.74735554127075 0.87500000000000 132.905 > 1 19 Cs 0.16666666666667 0.75264445872925 0.12500000000000 132.905 > 2 20 Cs 0.50000000000000 0.75264445872925 0.12500000000000 132.905 > 2 21 Cs 0.83333333333333 0.75264445872925 0.12500000000000 132.905 > 2 22 Cs 0.16666666666667 0.75264445872925 0.62500000000000 132.905 > 2 23 Cs 0.50000000000000 0.75264445872925 0.62500000000000 132.905 > 2 24 Cs 0.83333333333333 0.75264445872925 0.62500000000000 132.905 > 2 *25 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 3 26 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 3 27 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 3 28 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 3 29 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 3 30 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 3 31 Ho 0.00000000000000 0.00000000000000 0.25000000000000 164.930 > 4 32 Ho 0.33333333333333 0.00000000000000 0.25000000000000 164.930 > 4 33 Ho 0.66666666666667 0.00000000000000 0.25000000000000 164.930 > 4 34 Ho 0.00000000000000 0.00000000000000 0.75000000000000 164.930 > 4 35 Ho 0.33333333333333 0.00000000000000 0.75000000000000 164.930 > 4 36 Ho 0.66666666666667 0.00000000000000 0.75000000000000 164.930 > 4 37 Ho 0.16666666666667 0.50000000000000 0.00000000000000 164.930 > 3 38 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 3 39 Ho 0.83333333333333 0.50000000000000 0.00000000000000 164.930 > 3 40 Ho 0.16666666666667 0.50000000000000 0.50000000000000 164.930 > 3 41 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 3 42 Ho 0.83333333333333 0.50000000000000 0.50000000000000 164.930 > 3 43 Ho 0.16666666666667 0.50000000000000 0.25000000000000 164.930 > 4 44 Ho 0.50000000000000 0.50000000000000 0.25000000000000 164.930 > 4 45 Ho 0.83333333333333 0.50000000000000 0.25000000000000 164.930 > 4 46 Ho 0.16666666666667 0.50000000000000 0.75000000000000 164.930 > 4 47 Ho 0.50000000000000 0.50000000000000 0.75000000000000 164.930 > 4 48 Ho 0.83333333333333 0.50000000000000 0.75000000000000 164.930 > 4 *49 Zn 0.16666666666667 0.03664934174364 0.12500000000000 65.380 > 5 50 Zn 0.50000000000000 0.03664934174364 0.12500000000000 65.380 > 5 51 Zn 0.83333333333333 0.03664934174364 0.12500000000000 65.380 > 5 52 Zn 0.16666666666667 0.03664934174364 0.62500000000000 65.380 > 5 53 Zn 0.50000000000000 0.03664934174364 0.62500000000000 65.380 > 5 54 Zn 0.83333333333333 0.03664934174364 0.62500000000000 65.380 > 5 55 Zn 0.00000000000000 0.46335065825636 0.37500000000000 65.380 > 6 56 Zn 0.33333333333333 0.46335065825636 0.37500000000000 65.380 > 6 57 Zn 0.66666666666667 0.46335065825636 0.37500000000000 65.380 > 6 58 Zn 0.00000000000000 0.46335065825636 0.87500000000000 65.380 > 6 59 Zn 0.33333333333333 0.46335065825636 0.87500000000000 65.380 > 6 60 Zn 0.66666666666667 0.46335065825636 0.87500000000000 65.380 > 6 61 Zn 0.00000000000000 0.53664934174364 0.12500000000000 65.380 > 5 62 Zn 0.33333333333333 0.53664934174364 0.12500000000000 65.380 > 5 63 Zn 0.66666666666667 0.53664934174364 0.12500000000000 65.380 > 5 64 Zn 0.00000000000000 0.53664934174364 0.62500000000000 65.380 > 5 65 Zn 0.33333333333333 0.53664934174364 0.62500000000000 65.380 > 5 66 Zn 0.66666666666667 0.53664934174364 0.62500000000000 65.380 > 5 67 Zn 0.16666666666667 0.96335065825636 0.37500000000000 65.380 > 6 68 Zn 0.50000000000000 0.96335065825636 0.37500000000000 65.380 > 6 69 Zn 0.83333333333333 0.96335065825636 0.37500000000000 65.380 > 6 70 Zn 0.16666666666667 0.96335065825636 0.87500000000000 65.380 > 6 71 Zn 0.50000000000000 0.96335065825636 0.87500000000000 65.380 > 6 72 Zn 0.83333333333333 0.96335065825636 0.87500000000000 65.380 > 6 *73 Te 0.00000000000000 0.06127967907935 0.37500000000000 127.600 > 7 74 Te 0.33333333333333 0.06127967907935 0.37500000000000 127.600 > 7 75 Te 0.66666666666667 0.06127967907935 0.37500000000000 127.600 > 7 76 Te 0.00000000000000 0.06127967907935 0.87500000000000 127.600 > 7 77 Te 0.33333333333333 0.06127967907935 0.87500000000000 127.600 > 7 78 Te 0.66666666666667 0.06127967907935 0.87500000000000 127.600 > 7 *79 Te 0.00000000000000 0.37868478412886 0.47157559064825 127.600 > 8 80 Te 0.33333333333333 0.37868478412886 0.47157559064825 127.600 > 8 81 Te 0.66666666666667 0.37868478412886 0.47157559064825 127.600 > 8 82 Te 0.00000000000000 0.37868478412886 0.97157559064825 127.600 > 8 83 Te 0.33333333333333 0.37868478412886 0.97157559064825 127.600 > 8 84 Te 0.66666666666667 0.37868478412886 0.97157559064825 127.600 > 8 85 Te 0.16666666666667 0.12131521587114 0.22157559064825 127.600 > 9 86 Te 0.50000000000000 0.12131521587114 0.22157559064825 127.600 > 9 87 Te 0.83333333333333 0.12131521587114 0.22157559064825 127.600 > 9 88 Te 0.16666666666667 0.12131521587114 0.72157559064825 127.600 > 9 89 Te 0.50000000000000 0.12131521587114 0.72157559064825 127.600 > 9 90 Te 0.83333333333333 0.12131521587114 0.72157559064825 127.600 > 9 91 Te 0.16666666666667 0.12131521587114 0.02842440935175 127.600 > 10 92 Te 0.50000000000000 0.12131521587114 0.02842440935175 127.600 > 10 93 Te 0.83333333333333 0.12131521587114 0.02842440935175 127.600 > 10 94 Te 0.16666666666667 0.12131521587114 0.52842440935175 127.600 > 10 95 Te 0.50000000000000 0.12131521587114 0.52842440935175 127.600 > 10 96 Te 0.83333333333333 0.12131521587114 0.52842440935175 127.600 > 10 97 Te 0.16666666666667 0.43872032092065 0.12500000000000 127.600 > 11 98 Te 0.50000000000000 0.43872032092065 0.12500000000000 127.600 > 11 99 Te 0.83333333333333 0.43872032092065 0.12500000000000 127.600 > 11 100 Te 0.16666666666667 0.43872032092065 0.62500000000000 127.600 > 11 101 Te 0.50000000000000 0.43872032092065 0.62500000000000 127.600 > 11 102 Te 0.83333333333333 0.43872032092065 0.62500000000000 127.600 > 11 103 Te 0.00000000000000 0.37868478412886 0.27842440935175 127.600 > 12 104 Te 0.33333333333333 0.37868478412886 0.27842440935175 127.600 > 12 105 Te 0.66666666666667 0.37868478412886 0.27842440935175 127.600 > 12 106 Te 0.00000000000000 0.37868478412886 0.77842440935175 127.600 > 12 107 Te 0.33333333333333 0.37868478412886 0.77842440935175 127.600 > 12 108 Te 0.66666666666667 0.37868478412886 0.77842440935175 127.600 > 12 109 Te 0.16666666666667 0.56127967907935 0.37500000000000 127.600 > 7 110 Te 0.50000000000000 0.56127967907935 0.37500000000000 127.600 > 7 111 Te 0.83333333333333 0.56127967907935 0.37500000000000 127.600 > 7 112 Te 0.16666666666667 0.56127967907935 0.87500000000000 127.600 > 7 113 Te 0.50000000000000 0.56127967907935 0.87500000000000 127.600 > 7 114 Te 0.83333333333333 0.56127967907935 0.87500000000000 127.600 > 7 115 Te 0.16666666666667 0.87868478412886 0.47157559064825 127.600 > 8 116 Te 0.50000000000000 0.87868478412886 0.47157559064825 127.600 > 8 117 Te 0.83333333333333 0.87868478412886 0.47157559064825 127.600 > 8 118 Te 0.16666666666667 0.87868478412886 0.97157559064825 127.600 > 8 119 Te 0.50000000000000 0.87868478412886 0.97157559064825 127.600 > 8 120 Te 0.83333333333333 0.87868478412886 0.97157559064825 127.600 > 8 121 Te 0.00000000000000 0.62131521587114 0.22157559064825 127.600 > 9 122 Te 0.33333333333333 0.62131521587114 0.22157559064825 127.600 > 9 123 Te 0.66666666666667 0.62131521587114 0.22157559064825 127.600 > 9 124 Te 0.00000000000000 0.62131521587114 0.72157559064825 127.600 > 9 125 Te 0.33333333333333 0.62131521587114 0.72157559064825 127.600 > 9 126 Te 0.66666666666667 0.62131521587114 0.72157559064825 127.600 > 9 127 Te 0.00000000000000 0.62131521587114 0.02842440935175 127.600 > 10 128 Te 0.33333333333333 0.62131521587114 0.02842440935175 127.600 > 10 129 Te 0.66666666666667 0.62131521587114 0.02842440935175 127.600 > 10 130 Te 0.00000000000000 0.62131521587114 0.52842440935175 127.600 > 10 131 Te 0.33333333333333 0.62131521587114 0.52842440935175 127.600 > 10 132 Te 0.66666666666667 0.62131521587114 0.52842440935175 127.600 > 10 133 Te 0.00000000000000 0.93872032092065 0.12500000000000 127.600 > 11 134 Te 0.33333333333333 0.93872032092065 0.12500000000000 127.600 > 11 135 Te 0.66666666666667 0.93872032092065 0.12500000000000 127.600 > 11 136 Te 0.00000000000000 0.93872032092065 0.62500000000000 127.600 > 11 137 Te 0.33333333333333 0.93872032092065 0.62500000000000 127.600 > 11 138 Te 0.66666666666667 0.93872032092065 0.62500000000000 127.600 > 11 139 Te 0.16666666666667 0.87868478412886 0.27842440935175 127.600 > 12 140 Te 0.50000000000000 0.87868478412886 0.27842440935175 127.600 > 12 141 Te 0.83333333333333 0.87868478412886 0.27842440935175 127.600 > 12 142 Te 0.16666666666667 0.87868478412886 0.77842440935175 127.600 > 12 143 Te 0.50000000000000 0.87868478412886 0.77842440935175 127.600 > 12 144 Te 0.83333333333333 0.87868478412886 0.77842440935175 127.600 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.4156420 0.0000000 0.0000000 0.0000000 5.3244548 0.0000000 0.0000000 0.0000000 8.2783686 -------------------------- Born effective charges -------------------------- 1 Cs 1.2772782 0.0000000 0.0000000 0.0000000 2.0227851 0.0000000 0.0000000 0.0000000 1.3357420 2 Cs 1.2772782 0.0000000 0.0000000 0.0000000 2.0227851 0.0000000 0.0000000 0.0000000 1.3357420 3 Ho 5.4602452 0.0000000 0.0000000 0.0000000 1.5571361 0.4047109 0.0000000 0.5086731 4.8815870 4 Ho 5.4602452 0.0000000 0.0000000 0.0000000 1.5571361 -0.4047109 0.0000000 -0.5086731 4.8815870 5 Zn 2.0504258 0.0000000 0.0000000 0.0000000 0.6889946 0.0000000 0.0000000 0.0000000 1.9028829 6 Zn 2.0504258 0.0000000 0.0000000 0.0000000 0.6889946 0.0000000 0.0000000 0.0000000 1.9028829 7 Te -2.2715193 0.0000000 0.0000000 0.0000000 -1.1129321 0.0000000 0.0000000 0.0000000 -3.5092543 8 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 -0.0632014 0.0000000 -0.0763898 -2.3054788 9 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 0.0632014 0.0000000 0.0763898 -2.3054788 10 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 -0.0632014 0.0000000 -0.0763898 -2.3054788 11 Te -2.2715193 0.0000000 0.0000000 0.0000000 -1.1129321 0.0000000 0.0000000 0.0000000 -3.5092543 12 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 0.0632014 0.0000000 0.0763898 -2.3054788 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use 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 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.638 Solver_block: 200 / 240 - Time: 1.604 Solver_block: 240 / 240 - Time: 0.719 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.990 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use 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 Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:52:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:52:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [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 2.168989935000000 -8.383919639999998 0.000000000000000 b 2.168989935000000 8.383919639999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.452693879999998 Atomic positions (fractional): 1 Cs 0.25264445872925 0.74735554127075 0.75000000000000 132.905 2 Cs 0.74735554127075 0.25264445872925 0.25000000000000 132.905 3 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 4 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 5 Zn 0.46335065825636 0.53664934174364 0.25000000000000 65.380 6 Zn 0.53664934174364 0.46335065825636 0.75000000000000 65.380 7 Te 0.93872032092065 0.06127967907935 0.75000000000000 127.600 8 Te 0.62131521587114 0.37868478412886 0.94315118129650 127.600 9 Te 0.37868478412886 0.62131521587114 0.44315118129650 127.600 10 Te 0.37868478412886 0.62131521587114 0.05684881870350 127.600 11 Te 0.06127967907935 0.93872032092065 0.25000000000000 127.600 12 Te 0.62131521587114 0.37868478412886 0.55684881870350 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.013939610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.767839279999997 0.000000000000000 c 0.000000000000000 0.000000000000000 22.905387759999996 Atomic positions (fractional): 1 Cs 0.16666666666667 0.24735554127075 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.24735554127075 0.37500000000000 132.905 > 1 3 Cs 0.83333333333333 0.24735554127075 0.37500000000000 132.905 > 1 4 Cs 0.16666666666667 0.24735554127075 0.87500000000000 132.905 > 1 5 Cs 0.50000000000000 0.24735554127075 0.87500000000000 132.905 > 1 6 Cs 0.83333333333333 0.24735554127075 0.87500000000000 132.905 > 1 7 Cs 0.00000000000000 0.25264445872925 0.12500000000000 132.905 > 7 8 Cs 0.33333333333333 0.25264445872925 0.12500000000000 132.905 > 7 9 Cs 0.66666666666667 0.25264445872925 0.12500000000000 132.905 > 7 10 Cs 0.00000000000000 0.25264445872925 0.62500000000000 132.905 > 7 11 Cs 0.33333333333333 0.25264445872925 0.62500000000000 132.905 > 7 12 Cs 0.66666666666667 0.25264445872925 0.62500000000000 132.905 > 7 13 Cs 0.00000000000000 0.74735554127075 0.37500000000000 132.905 > 1 14 Cs 0.33333333333333 0.74735554127075 0.37500000000000 132.905 > 1 15 Cs 0.66666666666667 0.74735554127075 0.37500000000000 132.905 > 1 16 Cs 0.00000000000000 0.74735554127075 0.87500000000000 132.905 > 1 17 Cs 0.33333333333333 0.74735554127075 0.87500000000000 132.905 > 1 18 Cs 0.66666666666667 0.74735554127075 0.87500000000000 132.905 > 1 19 Cs 0.16666666666667 0.75264445872925 0.12500000000000 132.905 > 7 20 Cs 0.50000000000000 0.75264445872925 0.12500000000000 132.905 > 7 21 Cs 0.83333333333333 0.75264445872925 0.12500000000000 132.905 > 7 22 Cs 0.16666666666667 0.75264445872925 0.62500000000000 132.905 > 7 23 Cs 0.50000000000000 0.75264445872925 0.62500000000000 132.905 > 7 24 Cs 0.83333333333333 0.75264445872925 0.62500000000000 132.905 > 7 25 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 25 26 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 25 27 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 25 28 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 25 29 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 25 30 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 25 31 Ho 0.00000000000000 0.00000000000000 0.25000000000000 164.930 > 31 32 Ho 0.33333333333333 0.00000000000000 0.25000000000000 164.930 > 31 33 Ho 0.66666666666667 0.00000000000000 0.25000000000000 164.930 > 31 34 Ho 0.00000000000000 0.00000000000000 0.75000000000000 164.930 > 31 35 Ho 0.33333333333333 0.00000000000000 0.75000000000000 164.930 > 31 36 Ho 0.66666666666667 0.00000000000000 0.75000000000000 164.930 > 31 37 Ho 0.16666666666667 0.50000000000000 0.00000000000000 164.930 > 25 38 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 25 39 Ho 0.83333333333333 0.50000000000000 0.00000000000000 164.930 > 25 40 Ho 0.16666666666667 0.50000000000000 0.50000000000000 164.930 > 25 41 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 25 42 Ho 0.83333333333333 0.50000000000000 0.50000000000000 164.930 > 25 43 Ho 0.16666666666667 0.50000000000000 0.25000000000000 164.930 > 31 44 Ho 0.50000000000000 0.50000000000000 0.25000000000000 164.930 > 31 45 Ho 0.83333333333333 0.50000000000000 0.25000000000000 164.930 > 31 46 Ho 0.16666666666667 0.50000000000000 0.75000000000000 164.930 > 31 47 Ho 0.50000000000000 0.50000000000000 0.75000000000000 164.930 > 31 48 Ho 0.83333333333333 0.50000000000000 0.75000000000000 164.930 > 31 49 Zn 0.16666666666667 0.03664934174364 0.12500000000000 65.380 > 49 50 Zn 0.50000000000000 0.03664934174364 0.12500000000000 65.380 > 49 51 Zn 0.83333333333333 0.03664934174364 0.12500000000000 65.380 > 49 52 Zn 0.16666666666667 0.03664934174364 0.62500000000000 65.380 > 49 53 Zn 0.50000000000000 0.03664934174364 0.62500000000000 65.380 > 49 54 Zn 0.83333333333333 0.03664934174364 0.62500000000000 65.380 > 49 55 Zn 0.00000000000000 0.46335065825636 0.37500000000000 65.380 > 55 56 Zn 0.33333333333333 0.46335065825636 0.37500000000000 65.380 > 55 57 Zn 0.66666666666667 0.46335065825636 0.37500000000000 65.380 > 55 58 Zn 0.00000000000000 0.46335065825636 0.87500000000000 65.380 > 55 59 Zn 0.33333333333333 0.46335065825636 0.87500000000000 65.380 > 55 60 Zn 0.66666666666667 0.46335065825636 0.87500000000000 65.380 > 55 61 Zn 0.00000000000000 0.53664934174364 0.12500000000000 65.380 > 49 62 Zn 0.33333333333333 0.53664934174364 0.12500000000000 65.380 > 49 63 Zn 0.66666666666667 0.53664934174364 0.12500000000000 65.380 > 49 64 Zn 0.00000000000000 0.53664934174364 0.62500000000000 65.380 > 49 65 Zn 0.33333333333333 0.53664934174364 0.62500000000000 65.380 > 49 66 Zn 0.66666666666667 0.53664934174364 0.62500000000000 65.380 > 49 67 Zn 0.16666666666667 0.96335065825636 0.37500000000000 65.380 > 55 68 Zn 0.50000000000000 0.96335065825636 0.37500000000000 65.380 > 55 69 Zn 0.83333333333333 0.96335065825636 0.37500000000000 65.380 > 55 70 Zn 0.16666666666667 0.96335065825636 0.87500000000000 65.380 > 55 71 Zn 0.50000000000000 0.96335065825636 0.87500000000000 65.380 > 55 72 Zn 0.83333333333333 0.96335065825636 0.87500000000000 65.380 > 55 73 Te 0.00000000000000 0.06127967907935 0.37500000000000 127.600 > 73 74 Te 0.33333333333333 0.06127967907935 0.37500000000000 127.600 > 73 75 Te 0.66666666666667 0.06127967907935 0.37500000000000 127.600 > 73 76 Te 0.00000000000000 0.06127967907935 0.87500000000000 127.600 > 73 77 Te 0.33333333333333 0.06127967907935 0.87500000000000 127.600 > 73 78 Te 0.66666666666667 0.06127967907935 0.87500000000000 127.600 > 73 79 Te 0.00000000000000 0.37868478412886 0.47157559064825 127.600 > 79 80 Te 0.33333333333333 0.37868478412886 0.47157559064825 127.600 > 79 81 Te 0.66666666666667 0.37868478412886 0.47157559064825 127.600 > 79 82 Te 0.00000000000000 0.37868478412886 0.97157559064825 127.600 > 79 83 Te 0.33333333333333 0.37868478412886 0.97157559064825 127.600 > 79 84 Te 0.66666666666667 0.37868478412886 0.97157559064825 127.600 > 79 85 Te 0.16666666666667 0.12131521587114 0.22157559064825 127.600 > 85 86 Te 0.50000000000000 0.12131521587114 0.22157559064825 127.600 > 85 87 Te 0.83333333333333 0.12131521587114 0.22157559064825 127.600 > 85 88 Te 0.16666666666667 0.12131521587114 0.72157559064825 127.600 > 85 89 Te 0.50000000000000 0.12131521587114 0.72157559064825 127.600 > 85 90 Te 0.83333333333333 0.12131521587114 0.72157559064825 127.600 > 85 91 Te 0.16666666666667 0.12131521587114 0.02842440935175 127.600 > 91 92 Te 0.50000000000000 0.12131521587114 0.02842440935175 127.600 > 91 93 Te 0.83333333333333 0.12131521587114 0.02842440935175 127.600 > 91 94 Te 0.16666666666667 0.12131521587114 0.52842440935175 127.600 > 91 95 Te 0.50000000000000 0.12131521587114 0.52842440935175 127.600 > 91 96 Te 0.83333333333333 0.12131521587114 0.52842440935175 127.600 > 91 97 Te 0.16666666666667 0.43872032092065 0.12500000000000 127.600 > 97 98 Te 0.50000000000000 0.43872032092065 0.12500000000000 127.600 > 97 99 Te 0.83333333333333 0.43872032092065 0.12500000000000 127.600 > 97 100 Te 0.16666666666667 0.43872032092065 0.62500000000000 127.600 > 97 101 Te 0.50000000000000 0.43872032092065 0.62500000000000 127.600 > 97 102 Te 0.83333333333333 0.43872032092065 0.62500000000000 127.600 > 97 103 Te 0.00000000000000 0.37868478412886 0.27842440935175 127.600 > 103 104 Te 0.33333333333333 0.37868478412886 0.27842440935175 127.600 > 103 105 Te 0.66666666666667 0.37868478412886 0.27842440935175 127.600 > 103 106 Te 0.00000000000000 0.37868478412886 0.77842440935175 127.600 > 103 107 Te 0.33333333333333 0.37868478412886 0.77842440935175 127.600 > 103 108 Te 0.66666666666667 0.37868478412886 0.77842440935175 127.600 > 103 109 Te 0.16666666666667 0.56127967907935 0.37500000000000 127.600 > 73 110 Te 0.50000000000000 0.56127967907935 0.37500000000000 127.600 > 73 111 Te 0.83333333333333 0.56127967907935 0.37500000000000 127.600 > 73 112 Te 0.16666666666667 0.56127967907935 0.87500000000000 127.600 > 73 113 Te 0.50000000000000 0.56127967907935 0.87500000000000 127.600 > 73 114 Te 0.83333333333333 0.56127967907935 0.87500000000000 127.600 > 73 115 Te 0.16666666666667 0.87868478412886 0.47157559064825 127.600 > 79 116 Te 0.50000000000000 0.87868478412886 0.47157559064825 127.600 > 79 117 Te 0.83333333333333 0.87868478412886 0.47157559064825 127.600 > 79 118 Te 0.16666666666667 0.87868478412886 0.97157559064825 127.600 > 79 119 Te 0.50000000000000 0.87868478412886 0.97157559064825 127.600 > 79 120 Te 0.83333333333333 0.87868478412886 0.97157559064825 127.600 > 79 121 Te 0.00000000000000 0.62131521587114 0.22157559064825 127.600 > 85 122 Te 0.33333333333333 0.62131521587114 0.22157559064825 127.600 > 85 123 Te 0.66666666666667 0.62131521587114 0.22157559064825 127.600 > 85 124 Te 0.00000000000000 0.62131521587114 0.72157559064825 127.600 > 85 125 Te 0.33333333333333 0.62131521587114 0.72157559064825 127.600 > 85 126 Te 0.66666666666667 0.62131521587114 0.72157559064825 127.600 > 85 127 Te 0.00000000000000 0.62131521587114 0.02842440935175 127.600 > 91 128 Te 0.33333333333333 0.62131521587114 0.02842440935175 127.600 > 91 129 Te 0.66666666666667 0.62131521587114 0.02842440935175 127.600 > 91 130 Te 0.00000000000000 0.62131521587114 0.52842440935175 127.600 > 91 131 Te 0.33333333333333 0.62131521587114 0.52842440935175 127.600 > 91 132 Te 0.66666666666667 0.62131521587114 0.52842440935175 127.600 > 91 133 Te 0.00000000000000 0.93872032092065 0.12500000000000 127.600 > 97 134 Te 0.33333333333333 0.93872032092065 0.12500000000000 127.600 > 97 135 Te 0.66666666666667 0.93872032092065 0.12500000000000 127.600 > 97 136 Te 0.00000000000000 0.93872032092065 0.62500000000000 127.600 > 97 137 Te 0.33333333333333 0.93872032092065 0.62500000000000 127.600 > 97 138 Te 0.66666666666667 0.93872032092065 0.62500000000000 127.600 > 97 139 Te 0.16666666666667 0.87868478412886 0.27842440935175 127.600 > 103 140 Te 0.50000000000000 0.87868478412886 0.27842440935175 127.600 > 103 141 Te 0.83333333333333 0.87868478412886 0.27842440935175 127.600 > 103 142 Te 0.16666666666667 0.87868478412886 0.77842440935175 127.600 > 103 143 Te 0.50000000000000 0.87868478412886 0.77842440935175 127.600 > 103 144 Te 0.83333333333333 0.87868478412886 0.77842440935175 127.600 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.4156420 0.0000000 0.0000000 0.0000000 5.3244548 0.0000000 0.0000000 0.0000000 8.2783686 -------------------------- Born effective charges -------------------------- 1 Cs 1.2772782 0.0000000 0.0000000 0.0000000 2.0227851 0.0000000 0.0000000 0.0000000 1.3357420 2 Cs 1.2772782 0.0000000 0.0000000 0.0000000 2.0227851 0.0000000 0.0000000 0.0000000 1.3357420 3 Ho 5.4602452 0.0000000 0.0000000 0.0000000 1.5571361 0.4047109 0.0000000 0.5086731 4.8815870 4 Ho 5.4602452 0.0000000 0.0000000 0.0000000 1.5571361 -0.4047109 0.0000000 -0.5086731 4.8815870 5 Zn 2.0504258 0.0000000 0.0000000 0.0000000 0.6889946 0.0000000 0.0000000 0.0000000 1.9028829 6 Zn 2.0504258 0.0000000 0.0000000 0.0000000 0.6889946 0.0000000 0.0000000 0.0000000 1.9028829 7 Te -2.2715193 0.0000000 0.0000000 0.0000000 -1.1129321 0.0000000 0.0000000 0.0000000 -3.5092543 8 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 -0.0632014 0.0000000 -0.0763898 -2.3054788 9 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 0.0632014 0.0000000 0.0763898 -2.3054788 10 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 -0.0632014 0.0000000 -0.0763898 -2.3054788 11 Te -2.2715193 0.0000000 0.0000000 0.0000000 -1.1129321 0.0000000 0.0000000 0.0000000 -3.5092543 12 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 0.0632014 0.0000000 0.0763898 -2.3054788 ---------------------------------------------------------------------------- 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[ 79, 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: -0.00000002 (yzz) -0.00000002 (yzz) -0.00000002 (yzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:52:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:52:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [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 2.168989935000000 -8.383919639999998 0.000000000000000 b 2.168989935000000 8.383919639999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.452693879999998 Atomic positions (fractional): 1 Cs 0.25264445872925 0.74735554127075 0.75000000000000 132.905 2 Cs 0.74735554127075 0.25264445872925 0.25000000000000 132.905 3 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 4 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 5 Zn 0.46335065825636 0.53664934174364 0.25000000000000 65.380 6 Zn 0.53664934174364 0.46335065825636 0.75000000000000 65.380 7 Te 0.93872032092065 0.06127967907935 0.75000000000000 127.600 8 Te 0.62131521587114 0.37868478412886 0.94315118129650 127.600 9 Te 0.37868478412886 0.62131521587114 0.44315118129650 127.600 10 Te 0.37868478412886 0.62131521587114 0.05684881870350 127.600 11 Te 0.06127967907935 0.93872032092065 0.25000000000000 127.600 12 Te 0.62131521587114 0.37868478412886 0.55684881870350 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.013939610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.767839279999997 0.000000000000000 c 0.000000000000000 0.000000000000000 22.905387759999996 Atomic positions (fractional): 1 Cs 0.16666666666667 0.24735554127075 0.37500000000000 132.905 > 1 2 Cs 0.50000000000000 0.24735554127075 0.37500000000000 132.905 > 1 3 Cs 0.83333333333333 0.24735554127075 0.37500000000000 132.905 > 1 4 Cs 0.16666666666667 0.24735554127075 0.87500000000000 132.905 > 1 5 Cs 0.50000000000000 0.24735554127075 0.87500000000000 132.905 > 1 6 Cs 0.83333333333333 0.24735554127075 0.87500000000000 132.905 > 1 7 Cs 0.00000000000000 0.25264445872925 0.12500000000000 132.905 > 7 8 Cs 0.33333333333333 0.25264445872925 0.12500000000000 132.905 > 7 9 Cs 0.66666666666667 0.25264445872925 0.12500000000000 132.905 > 7 10 Cs 0.00000000000000 0.25264445872925 0.62500000000000 132.905 > 7 11 Cs 0.33333333333333 0.25264445872925 0.62500000000000 132.905 > 7 12 Cs 0.66666666666667 0.25264445872925 0.62500000000000 132.905 > 7 13 Cs 0.00000000000000 0.74735554127075 0.37500000000000 132.905 > 1 14 Cs 0.33333333333333 0.74735554127075 0.37500000000000 132.905 > 1 15 Cs 0.66666666666667 0.74735554127075 0.37500000000000 132.905 > 1 16 Cs 0.00000000000000 0.74735554127075 0.87500000000000 132.905 > 1 17 Cs 0.33333333333333 0.74735554127075 0.87500000000000 132.905 > 1 18 Cs 0.66666666666667 0.74735554127075 0.87500000000000 132.905 > 1 19 Cs 0.16666666666667 0.75264445872925 0.12500000000000 132.905 > 7 20 Cs 0.50000000000000 0.75264445872925 0.12500000000000 132.905 > 7 21 Cs 0.83333333333333 0.75264445872925 0.12500000000000 132.905 > 7 22 Cs 0.16666666666667 0.75264445872925 0.62500000000000 132.905 > 7 23 Cs 0.50000000000000 0.75264445872925 0.62500000000000 132.905 > 7 24 Cs 0.83333333333333 0.75264445872925 0.62500000000000 132.905 > 7 25 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 25 26 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 25 27 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 25 28 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 25 29 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 25 30 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 25 31 Ho 0.00000000000000 0.00000000000000 0.25000000000000 164.930 > 31 32 Ho 0.33333333333333 0.00000000000000 0.25000000000000 164.930 > 31 33 Ho 0.66666666666667 0.00000000000000 0.25000000000000 164.930 > 31 34 Ho 0.00000000000000 0.00000000000000 0.75000000000000 164.930 > 31 35 Ho 0.33333333333333 0.00000000000000 0.75000000000000 164.930 > 31 36 Ho 0.66666666666667 0.00000000000000 0.75000000000000 164.930 > 31 37 Ho 0.16666666666667 0.50000000000000 0.00000000000000 164.930 > 25 38 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 25 39 Ho 0.83333333333333 0.50000000000000 0.00000000000000 164.930 > 25 40 Ho 0.16666666666667 0.50000000000000 0.50000000000000 164.930 > 25 41 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 25 42 Ho 0.83333333333333 0.50000000000000 0.50000000000000 164.930 > 25 43 Ho 0.16666666666667 0.50000000000000 0.25000000000000 164.930 > 31 44 Ho 0.50000000000000 0.50000000000000 0.25000000000000 164.930 > 31 45 Ho 0.83333333333333 0.50000000000000 0.25000000000000 164.930 > 31 46 Ho 0.16666666666667 0.50000000000000 0.75000000000000 164.930 > 31 47 Ho 0.50000000000000 0.50000000000000 0.75000000000000 164.930 > 31 48 Ho 0.83333333333333 0.50000000000000 0.75000000000000 164.930 > 31 49 Zn 0.16666666666667 0.03664934174364 0.12500000000000 65.380 > 49 50 Zn 0.50000000000000 0.03664934174364 0.12500000000000 65.380 > 49 51 Zn 0.83333333333333 0.03664934174364 0.12500000000000 65.380 > 49 52 Zn 0.16666666666667 0.03664934174364 0.62500000000000 65.380 > 49 53 Zn 0.50000000000000 0.03664934174364 0.62500000000000 65.380 > 49 54 Zn 0.83333333333333 0.03664934174364 0.62500000000000 65.380 > 49 55 Zn 0.00000000000000 0.46335065825636 0.37500000000000 65.380 > 55 56 Zn 0.33333333333333 0.46335065825636 0.37500000000000 65.380 > 55 57 Zn 0.66666666666667 0.46335065825636 0.37500000000000 65.380 > 55 58 Zn 0.00000000000000 0.46335065825636 0.87500000000000 65.380 > 55 59 Zn 0.33333333333333 0.46335065825636 0.87500000000000 65.380 > 55 60 Zn 0.66666666666667 0.46335065825636 0.87500000000000 65.380 > 55 61 Zn 0.00000000000000 0.53664934174364 0.12500000000000 65.380 > 49 62 Zn 0.33333333333333 0.53664934174364 0.12500000000000 65.380 > 49 63 Zn 0.66666666666667 0.53664934174364 0.12500000000000 65.380 > 49 64 Zn 0.00000000000000 0.53664934174364 0.62500000000000 65.380 > 49 65 Zn 0.33333333333333 0.53664934174364 0.62500000000000 65.380 > 49 66 Zn 0.66666666666667 0.53664934174364 0.62500000000000 65.380 > 49 67 Zn 0.16666666666667 0.96335065825636 0.37500000000000 65.380 > 55 68 Zn 0.50000000000000 0.96335065825636 0.37500000000000 65.380 > 55 69 Zn 0.83333333333333 0.96335065825636 0.37500000000000 65.380 > 55 70 Zn 0.16666666666667 0.96335065825636 0.87500000000000 65.380 > 55 71 Zn 0.50000000000000 0.96335065825636 0.87500000000000 65.380 > 55 72 Zn 0.83333333333333 0.96335065825636 0.87500000000000 65.380 > 55 73 Te 0.00000000000000 0.06127967907935 0.37500000000000 127.600 > 73 74 Te 0.33333333333333 0.06127967907935 0.37500000000000 127.600 > 73 75 Te 0.66666666666667 0.06127967907935 0.37500000000000 127.600 > 73 76 Te 0.00000000000000 0.06127967907935 0.87500000000000 127.600 > 73 77 Te 0.33333333333333 0.06127967907935 0.87500000000000 127.600 > 73 78 Te 0.66666666666667 0.06127967907935 0.87500000000000 127.600 > 73 79 Te 0.00000000000000 0.37868478412886 0.47157559064825 127.600 > 79 80 Te 0.33333333333333 0.37868478412886 0.47157559064825 127.600 > 79 81 Te 0.66666666666667 0.37868478412886 0.47157559064825 127.600 > 79 82 Te 0.00000000000000 0.37868478412886 0.97157559064825 127.600 > 79 83 Te 0.33333333333333 0.37868478412886 0.97157559064825 127.600 > 79 84 Te 0.66666666666667 0.37868478412886 0.97157559064825 127.600 > 79 85 Te 0.16666666666667 0.12131521587114 0.22157559064825 127.600 > 85 86 Te 0.50000000000000 0.12131521587114 0.22157559064825 127.600 > 85 87 Te 0.83333333333333 0.12131521587114 0.22157559064825 127.600 > 85 88 Te 0.16666666666667 0.12131521587114 0.72157559064825 127.600 > 85 89 Te 0.50000000000000 0.12131521587114 0.72157559064825 127.600 > 85 90 Te 0.83333333333333 0.12131521587114 0.72157559064825 127.600 > 85 91 Te 0.16666666666667 0.12131521587114 0.02842440935175 127.600 > 91 92 Te 0.50000000000000 0.12131521587114 0.02842440935175 127.600 > 91 93 Te 0.83333333333333 0.12131521587114 0.02842440935175 127.600 > 91 94 Te 0.16666666666667 0.12131521587114 0.52842440935175 127.600 > 91 95 Te 0.50000000000000 0.12131521587114 0.52842440935175 127.600 > 91 96 Te 0.83333333333333 0.12131521587114 0.52842440935175 127.600 > 91 97 Te 0.16666666666667 0.43872032092065 0.12500000000000 127.600 > 97 98 Te 0.50000000000000 0.43872032092065 0.12500000000000 127.600 > 97 99 Te 0.83333333333333 0.43872032092065 0.12500000000000 127.600 > 97 100 Te 0.16666666666667 0.43872032092065 0.62500000000000 127.600 > 97 101 Te 0.50000000000000 0.43872032092065 0.62500000000000 127.600 > 97 102 Te 0.83333333333333 0.43872032092065 0.62500000000000 127.600 > 97 103 Te 0.00000000000000 0.37868478412886 0.27842440935175 127.600 > 103 104 Te 0.33333333333333 0.37868478412886 0.27842440935175 127.600 > 103 105 Te 0.66666666666667 0.37868478412886 0.27842440935175 127.600 > 103 106 Te 0.00000000000000 0.37868478412886 0.77842440935175 127.600 > 103 107 Te 0.33333333333333 0.37868478412886 0.77842440935175 127.600 > 103 108 Te 0.66666666666667 0.37868478412886 0.77842440935175 127.600 > 103 109 Te 0.16666666666667 0.56127967907935 0.37500000000000 127.600 > 73 110 Te 0.50000000000000 0.56127967907935 0.37500000000000 127.600 > 73 111 Te 0.83333333333333 0.56127967907935 0.37500000000000 127.600 > 73 112 Te 0.16666666666667 0.56127967907935 0.87500000000000 127.600 > 73 113 Te 0.50000000000000 0.56127967907935 0.87500000000000 127.600 > 73 114 Te 0.83333333333333 0.56127967907935 0.87500000000000 127.600 > 73 115 Te 0.16666666666667 0.87868478412886 0.47157559064825 127.600 > 79 116 Te 0.50000000000000 0.87868478412886 0.47157559064825 127.600 > 79 117 Te 0.83333333333333 0.87868478412886 0.47157559064825 127.600 > 79 118 Te 0.16666666666667 0.87868478412886 0.97157559064825 127.600 > 79 119 Te 0.50000000000000 0.87868478412886 0.97157559064825 127.600 > 79 120 Te 0.83333333333333 0.87868478412886 0.97157559064825 127.600 > 79 121 Te 0.00000000000000 0.62131521587114 0.22157559064825 127.600 > 85 122 Te 0.33333333333333 0.62131521587114 0.22157559064825 127.600 > 85 123 Te 0.66666666666667 0.62131521587114 0.22157559064825 127.600 > 85 124 Te 0.00000000000000 0.62131521587114 0.72157559064825 127.600 > 85 125 Te 0.33333333333333 0.62131521587114 0.72157559064825 127.600 > 85 126 Te 0.66666666666667 0.62131521587114 0.72157559064825 127.600 > 85 127 Te 0.00000000000000 0.62131521587114 0.02842440935175 127.600 > 91 128 Te 0.33333333333333 0.62131521587114 0.02842440935175 127.600 > 91 129 Te 0.66666666666667 0.62131521587114 0.02842440935175 127.600 > 91 130 Te 0.00000000000000 0.62131521587114 0.52842440935175 127.600 > 91 131 Te 0.33333333333333 0.62131521587114 0.52842440935175 127.600 > 91 132 Te 0.66666666666667 0.62131521587114 0.52842440935175 127.600 > 91 133 Te 0.00000000000000 0.93872032092065 0.12500000000000 127.600 > 97 134 Te 0.33333333333333 0.93872032092065 0.12500000000000 127.600 > 97 135 Te 0.66666666666667 0.93872032092065 0.12500000000000 127.600 > 97 136 Te 0.00000000000000 0.93872032092065 0.62500000000000 127.600 > 97 137 Te 0.33333333333333 0.93872032092065 0.62500000000000 127.600 > 97 138 Te 0.66666666666667 0.93872032092065 0.62500000000000 127.600 > 97 139 Te 0.16666666666667 0.87868478412886 0.27842440935175 127.600 > 103 140 Te 0.50000000000000 0.87868478412886 0.27842440935175 127.600 > 103 141 Te 0.83333333333333 0.87868478412886 0.27842440935175 127.600 > 103 142 Te 0.16666666666667 0.87868478412886 0.77842440935175 127.600 > 103 143 Te 0.50000000000000 0.87868478412886 0.77842440935175 127.600 > 103 144 Te 0.83333333333333 0.87868478412886 0.77842440935175 127.600 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.4156420 0.0000000 0.0000000 0.0000000 5.3244548 0.0000000 0.0000000 0.0000000 8.2783686 -------------------------- Born effective charges -------------------------- 1 Cs 1.2772782 0.0000000 0.0000000 0.0000000 2.0227851 0.0000000 0.0000000 0.0000000 1.3357420 2 Cs 1.2772782 0.0000000 0.0000000 0.0000000 2.0227851 0.0000000 0.0000000 0.0000000 1.3357420 3 Ho 5.4602452 0.0000000 0.0000000 0.0000000 1.5571361 0.4047109 0.0000000 0.5086731 4.8815870 4 Ho 5.4602452 0.0000000 0.0000000 0.0000000 1.5571361 -0.4047109 0.0000000 -0.5086731 4.8815870 5 Zn 2.0504258 0.0000000 0.0000000 0.0000000 0.6889946 0.0000000 0.0000000 0.0000000 1.9028829 6 Zn 2.0504258 0.0000000 0.0000000 0.0000000 0.6889946 0.0000000 0.0000000 0.0000000 1.9028829 7 Te -2.2715193 0.0000000 0.0000000 0.0000000 -1.1129321 0.0000000 0.0000000 0.0000000 -3.5092543 8 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 -0.0632014 0.0000000 -0.0763898 -2.3054788 9 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 0.0632014 0.0000000 0.0763898 -2.3054788 10 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 -0.0632014 0.0000000 -0.0763898 -2.3054788 11 Te -2.2715193 0.0000000 0.0000000 0.0000000 -1.1129321 0.0000000 0.0000000 0.0000000 -3.5092543 12 Te -3.2582149 0.0000000 0.0000000 0.0000000 -1.5779918 0.0632014 0.0000000 0.0763898 -2.3054788 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yzz) -0.00000002 (yzz) -0.00000002 (yzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.56, Number of G-points: 307, Lambda: 0.16 Running 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): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.722 ( 0.000 0.000 0.000) 0.000 1.076 ( 0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.287 ( 0.000 0.000 0.000) 0.000 1.318 ( 0.000 0.000 0.000) 0.000 1.502 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.781 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.948 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.616 ( 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): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 15.612 1.403 0.000) 15.675 0.312 ( 15.821 -0.554 0.000) 15.831 0.533 ( 25.320 -5.941 0.000) 26.008 0.777 ( 5.378 -0.033 0.000) 5.378 1.051 ( -1.791 0.758 0.000) 1.945 1.209 ( 2.229 -0.139 0.000) 2.233 1.314 ( 3.222 0.888 0.000) 3.343 1.415 ( 9.696 2.067 0.000) 9.914 1.515 ( 0.902 1.778 0.000) 1.994 1.632 ( -3.451 -1.236 0.000) 3.666 1.668 ( 1.654 1.328 0.000) 2.121 1.698 ( 1.052 -1.410 0.000) 1.760 1.757 ( -2.156 0.175 0.000) 2.163 1.806 ( 5.424 4.735 0.000) 7.200 1.815 ( -0.004 -0.039 0.000) 0.039 1.896 ( 5.911 -3.920 0.000) 7.093 1.946 ( -0.864 -2.511 0.000) 2.655 2.773 ( 3.989 -0.047 0.000) 3.989 2.783 ( -2.822 -0.384 0.000) 2.848 2.953 ( 4.299 -0.044 0.000) 4.300 3.033 ( -0.024 -0.040 0.000) 0.046 3.270 ( 6.294 0.022 0.000) 6.294 3.334 ( -4.108 0.083 0.000) 4.108 3.577 ( -1.635 0.191 0.000) 1.646 3.651 ( -2.284 0.117 0.000) 2.287 3.659 ( 3.285 2.185 0.000) 3.946 3.741 ( 1.781 0.124 0.000) 1.786 3.909 ( 0.635 -0.098 0.000) 0.643 3.947 ( -1.045 0.287 0.000) 1.084 3.990 ( -1.490 -0.004 0.000) 1.490 4.186 ( -0.181 1.215 0.000) 1.228 4.623 ( -0.060 11.215 0.000) 11.215 4.929 ( -0.387 0.954 0.000) 1.029 5.466 ( -6.073 -3.457 0.000) 6.988 5.561 ( 0.448 1.509 0.000) 1.574 5.599 ( -1.889 -1.391 0.000) 2.346 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 16.493 3.319 0.000) 16.824 0.607 ( 14.390 -0.672 0.000) 14.405 0.907 ( 7.521 0.016 0.000) 7.521 1.010 ( 20.651 -5.217 0.000) 21.300 1.019 ( -0.480 1.737 0.000) 1.802 1.258 ( 2.717 -0.484 0.000) 2.760 1.412 ( 7.970 2.654 0.000) 8.401 1.496 ( -1.230 3.788 0.000) 3.983 1.543 ( -4.309 -0.424 0.000) 4.330 1.622 ( 6.788 0.663 0.000) 6.820 1.690 ( 1.427 2.262 0.000) 2.674 1.716 ( -0.607 -4.182 0.000) 4.226 1.723 ( 1.991 -0.254 0.000) 2.008 1.816 ( 0.306 0.261 0.000) 0.403 1.898 ( 2.552 1.207 0.000) 2.823 1.979 ( 7.049 -1.099 0.000) 7.134 2.091 ( 10.716 -2.280 0.000) 10.956 2.731 ( -2.301 -0.507 0.000) 2.356 2.864 ( 4.816 -0.068 0.000) 4.817 3.025 ( -0.565 -0.070 0.000) 0.569 3.058 ( 5.773 -0.440 0.000) 5.790 3.255 ( -3.603 -0.035 0.000) 3.603 3.422 ( 8.573 0.066 0.000) 8.573 3.538 ( -2.206 0.043 0.000) 2.206 3.588 ( -4.040 0.078 0.000) 4.041 3.662 ( -1.414 0.124 0.000) 1.419 3.822 ( 3.621 1.847 0.000) 4.065 3.853 ( -4.402 -0.694 0.000) 4.457 3.923 ( -1.164 0.376 0.000) 1.224 3.952 ( -2.233 0.048 0.000) 2.234 4.228 ( 4.720 0.518 0.000) 4.748 4.543 ( -3.932 4.703 0.000) 6.130 4.912 ( -0.564 1.795 0.000) 1.881 5.328 ( -9.243 -1.547 0.000) 9.372 5.541 ( -2.351 0.590 0.000) 2.424 5.584 ( 0.229 -0.440 0.000) 0.496 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 10.809 -0.431 0.000) 10.818 0.866 ( 14.573 5.472 0.000) 15.566 1.005 ( 2.684 2.106 0.000) 3.412 1.064 ( 5.516 -1.308 0.000) 5.669 1.304 ( 5.608 -0.490 0.000) 5.630 1.367 ( 10.127 -4.033 0.000) 10.900 1.448 ( -4.762 -0.848 0.000) 4.837 1.451 ( -1.016 3.234 0.000) 3.390 1.531 ( 3.196 6.002 0.000) 6.800 1.599 ( -4.215 -1.431 0.000) 4.451 1.702 ( -0.282 0.393 0.000) 0.484 1.784 ( 9.501 -5.815 0.000) 11.140 1.819 ( 0.765 0.702 0.000) 1.038 1.920 ( -0.143 -2.291 0.000) 2.296 1.923 ( 12.264 1.109 0.000) 12.314 2.161 ( 9.524 -1.412 0.000) 9.628 2.285 ( 7.548 -0.563 0.000) 7.569 2.707 ( -0.390 -0.180 0.000) 0.429 2.934 ( 1.900 0.044 0.000) 1.900 3.023 ( 0.673 -0.052 0.000) 0.675 3.141 ( 1.504 -0.310 0.000) 1.536 3.216 ( 0.061 -0.253 0.000) 0.261 3.502 ( -1.086 0.002 0.000) 1.086 3.508 ( -3.709 -0.077 0.000) 3.710 3.567 ( 6.096 0.057 0.000) 6.097 3.628 ( -1.831 0.098 0.000) 1.833 3.701 ( -6.791 0.184 0.000) 6.793 3.905 ( -0.457 0.244 0.000) 0.518 3.910 ( -1.984 0.071 0.000) 1.986 3.922 ( 3.609 0.989 0.000) 3.742 4.326 ( 5.152 0.465 0.000) 5.173 4.439 ( -4.814 1.914 0.000) 5.180 4.890 ( -0.752 2.201 0.000) 2.326 5.141 ( -10.476 -1.015 0.000) 10.525 5.486 ( -2.964 -0.565 0.000) 3.018 5.597 ( 1.001 0.649 0.000) 1.193 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 2.499 0.907 0.000) 2.658 1.060 ( 7.910 6.378 0.000) 10.161 1.074 ( 2.721 -1.195 0.000) 2.972 1.143 ( 2.895 -0.591 0.000) 2.955 1.388 ( 2.985 2.754 0.000) 4.061 1.413 ( 1.611 -0.100 0.000) 1.615 1.425 ( -2.190 -1.814 0.000) 2.844 1.482 ( 5.280 3.328 0.000) 6.242 1.528 ( -3.727 -2.233 0.000) 4.344 1.611 ( 5.414 -0.890 0.000) 5.486 1.687 ( 1.174 -1.524 0.000) 1.924 1.828 ( 0.445 0.452 0.000) 0.635 1.901 ( -3.301 -3.658 0.000) 4.928 2.065 ( 13.808 -2.736 0.000) 14.076 2.117 ( 7.840 1.077 0.000) 7.913 2.317 ( 4.302 -0.998 0.000) 4.416 2.364 ( 1.548 -0.766 0.000) 1.727 2.713 ( 0.905 0.200 0.000) 0.927 2.928 ( -2.221 0.212 0.000) 2.231 3.065 ( 3.807 0.087 0.000) 3.808 3.106 ( -4.170 -0.303 0.000) 4.181 3.270 ( 5.008 -0.331 0.000) 5.019 3.461 ( -1.198 -0.157 0.000) 1.209 3.513 ( 2.054 0.349 0.000) 2.084 3.593 ( -1.664 0.520 0.000) 1.743 3.610 ( -2.583 0.136 0.000) 2.587 3.649 ( 2.631 -0.050 0.000) 2.631 3.876 ( -1.340 0.020 0.000) 1.340 3.901 ( -0.230 0.033 0.000) 0.232 3.951 ( -0.031 0.481 0.000) 0.482 4.351 ( -3.470 0.542 0.000) 3.512 4.412 ( 4.008 0.364 0.000) 4.025 4.862 ( -1.045 1.991 0.000) 2.249 4.950 ( -9.496 -0.771 0.000) 9.527 5.439 ( -2.241 -0.706 0.000) 2.350 5.612 ( 0.868 0.693 0.000) 1.111 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -3.311 -0.694 0.000) 3.383 1.085 ( 0.570 -0.049 0.000) 0.572 1.100 ( -0.194 3.877 0.000) 3.882 1.220 ( 3.449 0.151 0.000) 3.452 1.388 ( 1.077 -0.895 0.000) 1.400 1.452 ( -0.316 -0.586 0.000) 0.666 1.452 ( 3.542 4.039 0.000) 5.372 1.510 ( 1.961 -1.389 0.000) 2.404 1.544 ( -1.822 1.544 0.000) 2.388 1.664 ( 5.343 -3.102 0.000) 6.178 1.798 ( 1.957 -0.579 0.000) 2.041 1.830 ( -0.106 0.263 0.000) 0.284 1.854 ( 0.359 -3.046 0.000) 3.067 2.211 ( 2.749 0.592 0.000) 2.812 2.233 ( -0.636 1.975 0.000) 2.074 2.334 ( 3.565 -1.103 0.000) 3.731 2.418 ( 1.399 -2.543 0.000) 2.903 2.734 ( 1.167 0.091 0.000) 1.170 2.872 ( -2.702 0.203 0.000) 2.709 3.037 ( -2.491 -0.668 0.000) 2.580 3.155 ( 4.831 0.183 0.000) 4.834 3.384 ( 6.118 0.160 0.000) 6.120 3.454 ( 0.089 -0.084 0.000) 0.122 3.541 ( 0.536 0.703 0.000) 0.884 3.554 ( -2.305 0.477 0.000) 2.354 3.599 ( 1.104 -0.183 0.000) 1.119 3.678 ( 0.508 -0.121 0.000) 0.522 3.858 ( -0.597 -0.037 0.000) 0.599 3.891 ( -0.721 -0.053 0.000) 0.723 3.934 ( -1.032 -0.017 0.000) 1.032 4.297 ( -2.075 0.099 0.000) 2.077 4.481 ( 3.293 0.241 0.000) 3.302 4.783 ( -6.713 -0.352 0.000) 6.723 4.846 ( -0.953 1.053 0.000) 1.420 5.409 ( -1.148 -0.455 0.000) 1.235 5.622 ( 0.462 0.409 0.000) 0.617 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.000 -0.000 0.000) 0.000 1.076 ( 0.000 -0.000 0.000) 0.000 1.095 ( 0.000 -0.000 0.000) 0.000 1.253 ( 0.000 -0.000 0.000) 0.000 1.442 ( 0.000 -0.000 0.000) 0.000 1.443 ( -0.000 0.000 0.000) 0.000 1.450 ( 0.000 -0.000 0.000) 0.000 1.509 ( 0.000 -0.000 0.000) 0.000 1.545 ( 0.000 -0.000 0.000) 0.000 1.729 ( 0.000 -0.000 0.000) 0.000 1.796 ( 0.000 -0.000 0.000) 0.000 1.826 ( 0.000 -0.000 0.000) 0.000 1.904 ( 0.000 -0.000 0.000) 0.000 2.183 ( 0.000 -0.000 0.000) 0.000 2.233 ( 0.000 -0.000 0.000) 0.000 2.382 ( -0.000 -0.000 0.000) 0.000 2.442 ( 0.000 -0.000 0.000) 0.000 2.747 ( 0.000 -0.000 0.000) 0.000 2.843 ( 0.000 -0.000 0.000) 0.000 3.017 ( 0.000 -0.000 0.000) 0.000 3.209 ( 0.000 -0.000 0.000) 0.000 3.456 ( 0.000 -0.000 0.000) 0.000 3.475 ( 0.000 -0.000 0.000) 0.000 3.503 ( 0.000 -0.000 0.000) 0.000 3.541 ( 0.000 -0.000 0.000) 0.000 3.616 ( 0.000 -0.000 0.000) 0.000 3.680 ( 0.000 -0.000 0.000) 0.000 3.853 ( 0.000 -0.000 0.000) 0.000 3.882 ( 0.000 -0.000 0.000) 0.000 3.924 ( 0.000 -0.000 0.000) 0.000 4.275 ( 0.000 -0.000 0.000) 0.000 4.521 ( 0.000 -0.000 0.000) 0.000 4.707 ( 0.000 -0.000 0.000) 0.000 4.835 ( 0.000 -0.000 0.000) 0.000 5.399 ( 0.000 -0.000 0.000) 0.000 5.626 ( 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): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 16.766 0.000 0.000) 16.766 0.604 ( 14.458 0.000 0.000) 14.458 0.907 ( 7.621 0.000 0.000) 7.621 0.982 ( 21.473 0.000 0.000) 21.473 1.028 ( -0.721 -0.000 0.000) 0.721 1.255 ( 2.538 0.000 0.000) 2.538 1.425 ( 8.336 0.000 0.000) 8.336 1.520 ( -0.901 -0.000 0.000) 0.901 1.541 ( -5.311 -0.000 0.000) 5.311 1.626 ( 6.915 0.000 0.000) 6.915 1.691 ( -1.623 -0.000 0.000) 1.623 1.703 ( 1.547 0.000 0.000) 1.547 1.722 ( 2.622 0.000 0.000) 2.622 1.817 ( 0.268 0.000 0.000) 0.268 1.904 ( 1.118 0.000 0.000) 1.118 1.973 ( 7.220 0.000 0.000) 7.220 2.078 ( 11.758 0.000 0.000) 11.758 2.728 ( -2.213 -0.000 0.000) 2.213 2.864 ( 4.833 0.000 0.000) 4.833 3.025 ( -0.562 -0.000 0.000) 0.562 3.056 ( 5.775 0.000 0.000) 5.775 3.255 ( -3.651 -0.000 0.000) 3.651 3.422 ( 8.575 0.000 0.000) 8.575 3.538 ( -2.212 -0.000 0.000) 2.212 3.588 ( -4.082 -0.000 0.000) 4.082 3.662 ( -1.572 -0.000 0.000) 1.572 3.834 ( 5.934 0.000 0.000) 5.934 3.847 ( -6.802 -0.000 0.000) 6.802 3.924 ( -1.219 -0.000 0.000) 1.219 3.953 ( -2.224 -0.000 0.000) 2.224 4.230 ( 4.621 0.000 0.000) 4.621 4.567 ( -5.536 -0.000 0.000) 5.536 4.922 ( -0.585 -0.000 0.000) 0.585 5.320 ( -8.816 -0.000 0.000) 8.816 5.544 ( -3.159 -0.000 0.000) 3.159 5.581 ( 1.013 0.000 0.000) 1.013 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 11.188 -0.134 0.000) 11.188 0.908 ( 14.986 2.481 0.000) 15.190 1.025 ( 1.667 1.571 0.000) 2.290 1.050 ( 5.589 -1.291 0.000) 5.736 1.303 ( 7.216 0.658 0.000) 7.246 1.323 ( 8.071 -3.496 0.000) 8.795 1.442 ( -4.395 -0.312 0.000) 4.406 1.480 ( -0.206 1.668 0.000) 1.681 1.589 ( -4.531 -0.506 0.000) 4.559 1.600 ( 2.329 7.517 0.000) 7.869 1.673 ( 1.170 -6.349 0.000) 6.456 1.754 ( 8.695 -0.242 0.000) 8.698 1.824 ( 0.513 0.255 0.000) 0.573 1.899 ( -1.384 -1.361 0.000) 1.941 1.930 ( 12.378 0.385 0.000) 12.384 2.151 ( 9.595 -0.470 0.000) 9.606 2.281 ( 7.948 -0.231 0.000) 7.951 2.706 ( -0.184 -0.060 0.000) 0.194 2.934 ( 1.961 0.015 0.000) 1.961 3.023 ( 0.706 -0.019 0.000) 0.706 3.139 ( 1.655 -0.099 0.000) 1.658 3.215 ( 0.006 -0.093 0.000) 0.093 3.502 ( -1.075 0.011 0.000) 1.075 3.508 ( -3.758 -0.029 0.000) 3.758 3.567 ( 6.068 0.021 0.000) 6.068 3.629 ( -1.729 0.029 0.000) 1.729 3.702 ( -6.809 0.070 0.000) 6.810 3.907 ( -0.511 0.101 0.000) 0.521 3.910 ( -2.041 0.014 0.000) 2.041 3.928 ( 3.436 0.334 0.000) 3.453 4.329 ( 5.096 0.170 0.000) 5.099 4.452 ( -5.730 0.674 0.000) 5.769 4.906 ( -0.896 0.910 0.000) 1.277 5.134 ( -10.301 -0.435 0.000) 10.310 5.483 ( -3.057 -0.193 0.000) 3.063 5.601 ( 1.050 0.224 0.000) 1.074 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 2.200 0.743 0.000) 2.322 1.061 ( 1.753 -1.097 0.000) 2.068 1.115 ( 7.199 4.447 0.000) 8.462 1.140 ( 4.112 -0.088 0.000) 4.112 1.395 ( 1.423 -1.075 0.000) 1.783 1.404 ( 2.258 -1.422 0.000) 2.668 1.412 ( 1.736 -0.059 0.000) 1.737 1.510 ( -3.790 -1.322 0.000) 4.014 1.534 ( 3.081 6.068 0.000) 6.805 1.611 ( 6.125 0.095 0.000) 6.126 1.668 ( -0.623 -1.984 0.000) 2.080 1.832 ( 0.333 0.247 0.000) 0.415 1.861 ( -3.982 -3.808 0.000) 5.509 2.044 ( 15.512 -1.458 0.000) 15.580 2.125 ( 7.622 0.602 0.000) 7.645 2.309 ( 5.527 -0.454 0.000) 5.546 2.358 ( 0.364 -0.393 0.000) 0.536 2.715 ( 0.923 0.121 0.000) 0.930 2.930 ( -2.190 0.121 0.000) 2.194 3.066 ( 3.873 0.051 0.000) 3.873 3.103 ( -4.379 -0.194 0.000) 4.384 3.268 ( 5.146 -0.201 0.000) 5.150 3.460 ( -1.183 -0.091 0.000) 1.187 3.516 ( 2.338 0.257 0.000) 2.352 3.597 ( -1.571 0.252 0.000) 1.591 3.611 ( -2.707 0.079 0.000) 2.708 3.649 ( 2.582 -0.029 0.000) 2.582 3.877 ( -1.378 0.012 0.000) 1.378 3.901 ( -0.299 0.019 0.000) 0.299 3.955 ( -0.339 0.267 0.000) 0.431 4.356 ( -3.855 0.301 0.000) 3.867 4.415 ( 3.950 0.205 0.000) 3.956 4.880 ( -1.302 1.378 0.000) 1.896 4.943 ( -9.440 -0.655 0.000) 9.462 5.433 ( -2.157 -0.385 0.000) 2.191 5.617 ( 0.752 0.378 0.000) 0.841 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -3.151 -0.159 0.000) 3.155 1.082 ( 0.585 -0.571 0.000) 0.818 1.136 ( -1.758 3.195 0.000) 3.647 1.222 ( 3.443 0.247 0.000) 3.452 1.378 ( 0.033 -0.915 0.000) 0.915 1.450 ( -0.465 0.180 0.000) 0.499 1.486 ( 4.032 2.804 0.000) 4.911 1.495 ( 2.834 -1.560 0.000) 3.235 1.569 ( -2.739 2.856 0.000) 3.957 1.640 ( 5.329 -1.750 0.000) 5.609 1.784 ( 0.248 -1.927 0.000) 1.943 1.820 ( 3.818 -3.367 0.000) 5.091 1.832 ( -0.195 0.195 0.000) 0.276 2.216 ( 2.472 0.424 0.000) 2.508 2.258 ( 0.492 2.924 0.000) 2.965 2.324 ( 4.354 -0.880 0.000) 4.442 2.391 ( 0.846 -2.746 0.000) 2.873 2.735 ( 1.067 0.021 0.000) 1.067 2.874 ( -2.765 0.149 0.000) 2.769 3.031 ( -2.385 -0.480 0.000) 2.433 3.157 ( 4.807 0.132 0.000) 4.809 3.386 ( 6.335 0.122 0.000) 6.336 3.454 ( 0.138 -0.060 0.000) 0.151 3.547 ( 0.204 0.461 0.000) 0.504 3.558 ( -2.542 0.333 0.000) 2.564 3.597 ( 1.222 -0.086 0.000) 1.225 3.677 ( 0.520 -0.088 0.000) 0.527 3.858 ( -0.602 -0.028 0.000) 0.603 3.891 ( -0.722 -0.039 0.000) 0.723 3.934 ( -1.121 -0.012 0.000) 1.121 4.298 ( -2.163 0.067 0.000) 2.164 4.483 ( 3.215 0.170 0.000) 3.220 4.780 ( -6.772 -0.226 0.000) 6.776 4.855 ( -1.235 0.749 0.000) 1.444 5.405 ( -0.960 -0.323 0.000) 1.013 5.626 ( 0.282 0.289 0.000) 0.404 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.901 0.998 0.000) 1.345 1.082 ( -1.671 0.965 0.000) 1.930 1.087 ( -0.666 -1.500 0.000) 1.641 1.255 ( -0.023 0.206 0.000) 0.207 1.409 ( 0.981 -3.571 0.000) 3.704 1.448 ( 0.933 1.036 0.000) 1.395 1.479 ( -4.136 2.832 0.000) 5.013 1.516 ( 0.270 1.334 0.000) 1.361 1.541 ( 0.342 -0.736 0.000) 0.811 1.718 ( 2.547 -2.246 0.000) 3.396 1.798 ( 0.517 0.679 0.000) 0.854 1.827 ( -0.139 0.043 0.000) 0.145 1.899 ( 0.384 -1.006 0.000) 1.077 2.197 ( -0.510 2.548 0.000) 2.599 2.233 ( -0.299 -0.001 0.000) 0.299 2.373 ( -0.819 -1.600 0.000) 1.798 2.443 ( 2.328 0.199 0.000) 2.336 2.747 ( -0.044 -0.066 0.000) 0.079 2.843 ( -0.120 0.002 0.000) 0.120 3.018 ( 0.503 0.072 0.000) 0.508 3.209 ( -0.139 -0.010 0.000) 0.139 3.456 ( 0.039 0.007 0.000) 0.039 3.474 ( -0.806 -0.040 0.000) 0.807 3.504 ( 0.389 0.164 0.000) 0.422 3.540 ( -0.443 -0.210 0.000) 0.490 3.617 ( 0.096 0.081 0.000) 0.126 3.680 ( 0.095 0.004 0.000) 0.095 3.853 ( 0.030 -0.005 0.000) 0.030 3.882 ( 0.042 -0.001 0.000) 0.042 3.924 ( 0.058 0.002 0.000) 0.058 4.275 ( -0.030 -0.003 0.000) 0.030 4.521 ( -0.181 -0.020 0.000) 0.182 4.707 ( 0.299 0.028 0.000) 0.301 4.835 ( -0.607 -0.004 0.000) 0.607 5.399 ( 0.243 0.000 0.000) 0.243 5.626 ( -0.211 0.000 0.000) 0.211 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 2.877 1.340 0.000) 3.173 1.063 ( -1.846 -3.246 0.000) 3.734 1.081 ( 0.297 -0.866 0.000) 0.916 1.220 ( -3.472 0.036 0.000) 3.472 1.384 ( -4.478 -2.737 0.000) 5.248 1.418 ( -0.991 -1.238 0.000) 1.586 1.461 ( -0.318 1.245 0.000) 1.285 1.521 ( -0.690 0.833 0.000) 1.082 1.541 ( 1.588 0.661 0.000) 1.720 1.700 ( -4.502 4.017 0.000) 6.033 1.796 ( -2.170 -0.940 0.000) 2.364 1.827 ( -0.027 -0.255 0.000) 0.256 1.874 ( 0.675 0.595 0.000) 0.900 2.205 ( -3.082 -0.608 0.000) 3.141 2.223 ( 0.770 -0.007 0.000) 0.770 2.344 ( -2.030 0.826 0.000) 2.191 2.441 ( -1.576 2.023 0.000) 2.564 2.733 ( -1.262 -0.162 0.000) 1.273 2.870 ( 2.627 -0.202 0.000) 2.635 3.044 ( 2.553 0.681 0.000) 2.643 3.153 ( -4.854 -0.187 0.000) 4.857 3.383 ( -5.894 -0.152 0.000) 5.896 3.455 ( -0.035 0.087 0.000) 0.094 3.534 ( -0.700 -0.778 0.000) 1.047 3.549 ( 1.923 -0.486 0.000) 1.983 3.601 ( -1.060 0.231 0.000) 1.085 3.679 ( -0.496 0.123 0.000) 0.511 3.859 ( 0.595 0.034 0.000) 0.595 3.892 ( 0.720 0.052 0.000) 0.722 3.934 ( 0.926 0.016 0.000) 0.926 4.296 ( 1.967 -0.107 0.000) 1.970 4.478 ( -3.380 -0.250 0.000) 3.389 4.787 ( 6.653 0.440 0.000) 6.667 4.834 ( 0.621 -1.126 0.000) 1.286 5.414 ( 1.383 0.473 0.000) 1.461 5.618 ( -0.687 -0.426 0.000) 0.809 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -2.660 -0.776 0.000) 2.771 0.994 ( -8.457 -6.497 0.000) 10.664 1.083 ( -4.406 0.591 0.000) 4.445 1.153 ( -1.173 1.365 0.000) 1.800 1.341 ( -2.516 -5.780 0.000) 6.304 1.414 ( -1.428 0.112 0.000) 1.432 1.431 ( 1.496 -0.295 0.000) 1.525 1.475 ( -5.732 1.266 0.000) 5.870 1.553 ( 3.730 2.518 0.000) 4.500 1.633 ( -5.676 3.214 0.000) 6.523 1.697 ( -1.235 0.629 0.000) 1.386 1.823 ( -0.608 -0.564 0.000) 0.829 1.927 ( 2.275 1.305 0.000) 2.622 2.097 ( -11.179 3.511 0.000) 11.717 2.104 ( -8.165 -1.305 0.000) 8.269 2.329 ( -2.894 1.469 0.000) 3.245 2.373 ( -3.162 1.008 0.000) 3.318 2.711 ( -0.840 -0.213 0.000) 0.867 2.926 ( 2.262 -0.248 0.000) 2.276 3.064 ( -3.717 -0.100 0.000) 3.718 3.109 ( 3.900 0.294 0.000) 3.911 3.274 ( -4.818 0.352 0.000) 4.831 3.463 ( 1.219 0.180 0.000) 1.233 3.510 ( -1.637 -0.228 0.000) 1.653 3.587 ( 1.794 -0.756 0.000) 1.947 3.608 ( 2.405 -0.152 0.000) 2.410 3.650 ( -2.697 0.058 0.000) 2.698 3.876 ( 1.289 -0.023 0.000) 1.289 3.901 ( 0.137 -0.037 0.000) 0.142 3.945 ( -0.430 -0.589 0.000) 0.729 4.345 ( 2.930 -0.660 0.000) 3.004 4.408 ( -4.100 -0.434 0.000) 4.123 4.842 ( 0.594 -2.020 0.000) 2.106 4.957 ( 9.712 0.663 0.000) 9.735 5.447 ( 2.391 0.894 0.000) 2.552 5.604 ( -1.060 -0.878 0.000) 1.377 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -13.502 -5.596 0.000) 14.616 0.864 ( -10.182 0.786 0.000) 10.212 0.984 ( -3.348 -2.148 0.000) 3.978 1.075 ( -6.397 0.929 0.000) 6.464 1.303 ( -4.871 -1.659 0.000) 5.145 1.360 ( -6.072 -3.918 0.000) 7.226 1.459 ( 5.261 1.161 0.000) 5.387 1.463 ( -6.154 3.734 0.000) 7.199 1.483 ( -0.594 -2.506 0.000) 2.575 1.617 ( 3.784 2.084 0.000) 4.320 1.692 ( -2.182 -0.976 0.000) 2.391 1.811 ( -1.166 -0.957 0.000) 1.509 1.844 ( -7.441 5.522 0.000) 9.266 1.909 ( -12.141 -1.688 0.000) 12.258 1.941 ( -1.703 1.996 0.000) 2.624 2.179 ( -9.471 2.113 0.000) 9.703 2.291 ( -6.882 0.598 0.000) 6.908 2.709 ( 0.734 0.279 0.000) 0.785 2.934 ( -1.794 -0.063 0.000) 1.795 3.024 ( -0.616 0.070 0.000) 0.620 3.145 ( -1.135 0.534 0.000) 1.255 3.219 ( -0.180 0.343 0.000) 0.387 3.502 ( 1.061 0.065 0.000) 1.063 3.509 ( 3.624 0.104 0.000) 3.626 3.566 ( -6.145 -0.076 0.000) 6.146 3.627 ( 2.038 -0.177 0.000) 2.046 3.699 ( 6.778 -0.231 0.000) 6.782 3.902 ( 0.286 -0.307 0.000) 0.419 3.909 ( -2.317 -1.158 0.000) 2.590 3.909 ( 0.275 -0.532 0.000) 0.599 4.320 ( -5.246 -0.632 0.000) 5.284 4.415 ( 3.162 -2.760 0.000) 4.197 4.866 ( 0.703 -2.489 0.000) 2.587 5.152 ( 10.726 1.118 0.000) 10.784 5.494 ( 2.797 0.894 0.000) 2.937 5.589 ( -0.908 -1.006 0.000) 1.355 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -14.757 -2.331 0.000) 14.940 0.616 ( -14.239 1.162 0.000) 14.286 0.907 ( -7.215 -0.058 0.000) 7.215 0.995 ( -0.236 -2.891 0.000) 2.900 1.069 ( -18.634 5.576 0.000) 19.451 1.262 ( -3.127 0.152 0.000) 3.131 1.376 ( -6.245 -4.185 0.000) 7.518 1.461 ( -0.047 -2.773 0.000) 2.774 1.549 ( 1.453 0.591 0.000) 1.568 1.613 ( -6.142 -1.084 0.000) 6.237 1.662 ( -1.288 -3.048 0.000) 3.309 1.727 ( -0.481 0.491 0.000) 0.687 1.759 ( -1.551 3.712 0.000) 4.023 1.812 ( -0.346 -0.532 0.000) 0.635 1.884 ( -4.576 -1.272 0.000) 4.749 1.993 ( -7.050 1.701 0.000) 7.252 2.119 ( -8.735 3.249 0.000) 9.319 2.738 ( 2.521 0.858 0.000) 2.662 2.865 ( -4.772 0.116 0.000) 4.773 3.026 ( 0.572 0.122 0.000) 0.584 3.065 ( -5.762 0.983 0.000) 5.845 3.255 ( 3.459 -0.002 0.000) 3.459 3.421 ( -8.567 -0.111 0.000) 8.568 3.538 ( 2.185 -0.076 0.000) 2.187 3.586 ( 3.923 -0.144 0.000) 3.926 3.659 ( 0.737 -0.449 0.000) 0.863 3.801 ( -3.962 -2.303 0.000) 4.583 3.857 ( 4.686 0.232 0.000) 4.692 3.917 ( 1.022 -0.625 0.000) 1.198 3.952 ( 2.252 -0.114 0.000) 2.255 4.221 ( -4.967 -0.862 0.000) 5.042 4.479 ( 0.063 -7.911 0.000) 7.911 4.893 ( 1.013 -1.852 0.000) 2.111 5.346 ( 9.993 1.964 0.000) 10.184 5.533 ( 0.892 -0.870 0.000) 1.246 5.589 ( 1.166 0.614 0.000) 1.318 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( -11.861 3.444 0.000) 12.351 0.322 ( -15.459 1.403 0.000) 15.522 0.624 ( -22.034 10.870 0.000) 24.569 0.777 ( -5.387 0.021 0.000) 5.387 1.036 ( 2.418 -2.196 0.000) 3.266 1.211 ( -2.219 0.255 0.000) 2.233 1.299 ( -2.926 -2.028 0.000) 3.560 1.381 ( -10.480 -4.172 0.000) 11.280 1.484 ( -0.157 -4.110 0.000) 4.113 1.646 ( -1.763 -3.064 0.000) 3.535 1.648 ( 3.299 1.518 0.000) 3.631 1.710 ( -2.434 -0.415 0.000) 2.469 1.757 ( 1.702 0.199 0.000) 1.714 1.759 ( -7.263 -2.787 0.000) 7.779 1.815 ( 0.321 -0.014 0.000) 0.322 1.937 ( -0.882 3.688 0.000) 3.792 1.988 ( 0.385 5.371 0.000) 5.385 2.774 ( -3.991 0.129 0.000) 3.994 2.790 ( 2.852 0.972 0.000) 3.013 2.954 ( -4.579 0.187 0.000) 4.583 3.033 ( 0.032 0.109 0.000) 0.113 3.269 ( -6.282 -0.059 0.000) 6.282 3.332 ( 3.933 -0.307 0.000) 3.945 3.571 ( -0.926 -1.665 0.000) 1.905 3.616 ( -6.561 -5.745 0.000) 8.720 3.648 ( 2.221 -0.330 0.000) 2.245 3.742 ( -0.583 0.322 0.000) 0.666 3.910 ( -0.705 0.221 0.000) 0.739 3.942 ( 0.982 -0.752 0.000) 1.237 3.990 ( 1.512 -0.025 0.000) 1.512 4.162 ( -3.131 -3.481 0.000) 4.682 4.461 ( -10.165 -17.584 0.000) 20.311 4.921 ( 1.205 -0.395 0.000) 1.268 5.510 ( 8.744 4.213 0.000) 9.706 5.541 ( -0.386 -2.211 0.000) 2.245 5.617 ( 1.796 1.894 0.000) 2.610 ======================= Grid point 24 (18/129) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.054 ( 0.000 5.214 0.000) 5.214 0.146 ( 0.000 14.494 0.000) 14.494 0.203 ( 0.000 20.187 0.000) 20.187 0.722 ( 0.000 0.047 0.000) 0.047 1.075 ( -0.000 -0.106 0.000) 0.106 1.185 ( 0.000 0.264 0.000) 0.264 1.282 ( -0.000 -0.974 0.000) 0.974 1.291 ( -0.000 -5.064 0.000) 5.064 1.491 ( -0.000 -2.140 0.000) 2.140 1.632 ( -0.000 -0.894 0.000) 0.894 1.674 ( 0.000 1.664 0.000) 1.664 1.685 ( 0.000 1.098 0.000) 1.098 1.708 ( -0.000 -9.248 0.000) 9.248 1.775 ( -0.000 -0.776 0.000) 0.776 1.818 ( 0.000 0.521 0.000) 0.521 1.891 ( 0.000 8.038 0.000) 8.038 2.265 ( -0.000 -2.590 0.000) 2.590 2.732 ( 0.000 0.084 0.000) 0.084 2.812 ( 0.000 0.135 0.000) 0.135 2.911 ( -0.000 -0.161 0.000) 0.161 3.024 ( 0.000 0.143 0.000) 0.143 3.030 ( 0.000 0.093 0.000) 0.093 3.207 ( -0.000 -0.034 0.000) 0.034 3.383 ( -0.000 -0.111 0.000) 0.111 3.611 ( -0.000 -0.312 0.000) 0.312 3.672 ( -0.000 -0.294 0.000) 0.294 3.739 ( 0.000 0.813 0.000) 0.813 3.886 ( 0.000 0.018 0.000) 0.018 3.930 ( 0.000 0.042 0.000) 0.042 3.956 ( -0.000 -0.608 0.000) 0.608 4.005 ( 0.000 0.022 0.000) 0.022 4.308 ( -0.000 -1.418 0.000) 1.418 4.936 ( 0.000 0.241 0.000) 0.241 5.548 ( -0.000 -2.016 0.000) 2.016 5.626 ( 0.000 1.760 0.000) 1.760 5.653 ( 0.000 0.055 0.000) 0.055 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 2.013 0.000 0.000) 2.013 1.055 ( 1.561 0.000 0.000) 1.561 1.139 ( 6.821 0.000 0.000) 6.821 1.140 ( 4.483 0.000 0.000) 4.483 1.384 ( -0.836 -0.000 0.000) 0.836 1.399 ( 5.655 0.000 0.000) 5.655 1.412 ( 1.780 0.000 0.000) 1.780 1.504 ( -3.829 -0.000 0.000) 3.829 1.581 ( -0.252 -0.000 0.000) 0.252 1.599 ( 9.765 0.000 0.000) 9.765 1.658 ( -2.038 -0.000 0.000) 2.038 1.833 ( 0.293 0.000 0.000) 0.293 1.839 ( -4.232 -0.000 0.000) 4.232 2.037 ( 16.056 0.000 0.000) 16.056 2.128 ( 7.546 0.000 0.000) 7.546 2.307 ( 6.010 0.000 0.000) 6.010 2.356 ( -0.068 -0.000 0.000) 0.068 2.715 ( 0.924 0.000 0.000) 0.924 2.930 ( -2.179 -0.000 0.000) 2.179 3.066 ( 3.897 0.000 0.000) 3.897 3.102 ( -4.458 -0.000 0.000) 4.458 3.267 ( 5.198 0.000 0.000) 5.198 3.459 ( -1.177 -0.000 0.000) 1.177 3.518 ( 2.438 0.000 0.000) 2.438 3.598 ( -1.539 -0.000 0.000) 1.539 3.611 ( -2.750 -0.000 0.000) 2.750 3.649 ( 2.564 0.000 0.000) 2.564 3.877 ( -1.391 -0.000 0.000) 1.391 3.901 ( -0.324 -0.000 0.000) 0.324 3.956 ( -0.446 -0.000 0.000) 0.446 4.357 ( -3.995 -0.000 0.000) 3.995 4.416 ( 3.932 0.000 0.000) 3.932 4.887 ( -1.276 -0.000 0.000) 1.276 4.939 ( -9.546 -0.000 0.000) 9.546 5.431 ( -2.129 -0.000 0.000) 2.129 5.619 ( 0.713 0.000 0.000) 0.713 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -2.837 0.023 0.000) 2.837 1.077 ( 0.287 -0.328 0.000) 0.436 1.159 ( -2.636 1.235 0.000) 2.911 1.224 ( 3.437 0.118 0.000) 3.439 1.371 ( -0.157 -0.368 0.000) 0.400 1.454 ( -0.779 0.435 0.000) 0.892 1.481 ( 3.648 -0.926 0.000) 3.764 1.507 ( 4.935 1.311 0.000) 5.106 1.590 ( -3.664 1.071 0.000) 3.817 1.630 ( 2.783 -0.396 0.000) 2.811 1.769 ( -0.467 -0.736 0.000) 0.872 1.793 ( 7.422 -1.855 0.000) 7.651 1.833 ( -0.237 0.072 0.000) 0.248 2.219 ( 2.317 0.153 0.000) 2.322 2.284 ( 3.008 1.776 0.000) 3.493 2.318 ( 3.445 -0.245 0.000) 3.453 2.367 ( 0.043 -1.710 0.000) 1.710 2.735 ( 1.002 -0.002 0.000) 1.002 2.875 ( -2.800 0.055 0.000) 2.801 3.028 ( -2.303 -0.174 0.000) 2.309 3.158 ( 4.791 0.048 0.000) 4.791 3.387 ( 6.468 0.045 0.000) 6.468 3.453 ( 0.168 -0.022 0.000) 0.170 3.550 ( -0.056 0.157 0.000) 0.166 3.560 ( -2.657 0.116 0.000) 2.660 3.597 ( 1.333 -0.018 0.000) 1.333 3.676 ( 0.527 -0.032 0.000) 0.528 3.858 ( -0.605 -0.011 0.000) 0.605 3.890 ( -0.723 -0.015 0.000) 0.723 3.934 ( -1.172 -0.005 0.000) 1.172 4.298 ( -2.211 0.023 0.000) 2.211 4.484 ( 3.168 0.061 0.000) 3.169 4.778 ( -6.800 -0.078 0.000) 6.800 4.860 ( -1.404 0.271 0.000) 1.430 5.403 ( -0.857 -0.116 0.000) 0.865 5.628 ( 0.183 0.104 0.000) 0.211 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 1.812 1.244 0.000) 2.198 1.069 ( -1.355 -1.701 0.000) 2.175 1.093 ( -2.808 1.038 0.000) 2.994 1.257 ( -0.069 0.172 0.000) 0.186 1.379 ( -0.494 -2.333 0.000) 2.384 1.460 ( 1.719 1.263 0.000) 2.133 1.502 ( -4.916 1.721 0.000) 5.208 1.532 ( 0.465 -0.973 0.000) 1.078 1.532 ( -0.143 1.576 0.000) 1.583 1.689 ( 4.580 -2.925 0.000) 5.435 1.811 ( 1.522 1.680 0.000) 2.267 1.827 ( -0.236 0.043 0.000) 0.240 1.885 ( 0.186 -1.689 0.000) 1.699 2.228 ( -0.730 3.147 0.000) 3.230 2.233 ( -0.518 -0.001 0.000) 0.518 2.353 ( -1.010 -2.257 0.000) 2.473 2.445 ( 3.629 0.175 0.000) 3.633 2.746 ( -0.074 -0.065 0.000) 0.098 2.843 ( -0.208 0.002 0.000) 0.208 3.018 ( 0.872 0.071 0.000) 0.875 3.209 ( -0.241 -0.010 0.000) 0.241 3.457 ( 0.067 0.007 0.000) 0.067 3.474 ( -1.320 -0.037 0.000) 1.320 3.505 ( 0.619 0.178 0.000) 0.644 3.538 ( -0.778 -0.225 0.000) 0.810 3.617 ( 0.156 0.079 0.000) 0.175 3.681 ( 0.164 0.004 0.000) 0.164 3.853 ( 0.051 -0.005 0.000) 0.051 3.882 ( 0.072 -0.001 0.000) 0.072 3.924 ( 0.100 0.002 0.000) 0.100 4.275 ( -0.052 -0.003 0.000) 0.052 4.521 ( -0.312 -0.020 0.000) 0.313 4.707 ( 0.519 0.028 0.000) 0.520 4.835 ( -1.052 -0.004 0.000) 1.052 5.399 ( 0.421 0.000 0.000) 0.421 5.626 ( -0.366 0.000 0.000) 0.366 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 1.473 1.771 0.000) 2.303 1.037 ( -3.943 -1.919 0.000) 4.385 1.069 ( 2.231 -1.554 0.000) 2.719 1.221 ( -3.493 0.106 0.000) 3.495 1.345 ( -4.509 -3.888 0.000) 5.954 1.420 ( -1.512 0.691 0.000) 1.662 1.475 ( -1.700 1.416 0.000) 2.212 1.526 ( 1.109 0.167 0.000) 1.122 1.553 ( 1.635 1.485 0.000) 2.208 1.743 ( -3.665 4.472 0.000) 5.782 1.782 ( -1.540 -1.564 0.000) 2.195 1.825 ( -0.172 -0.178 0.000) 0.247 1.865 ( 0.619 -2.140 0.000) 2.228 2.199 ( -3.384 -0.456 0.000) 3.414 2.230 ( 0.029 1.332 0.000) 1.332 2.350 ( -0.163 0.270 0.000) 0.315 2.458 ( -1.529 1.317 0.000) 2.018 2.731 ( -1.332 -0.164 0.000) 1.342 2.868 ( 2.561 -0.148 0.000) 2.565 3.050 ( 2.552 0.506 0.000) 2.602 3.152 ( -4.870 -0.140 0.000) 4.872 3.382 ( -5.731 -0.106 0.000) 5.732 3.456 ( 0.008 0.065 0.000) 0.066 3.527 ( -0.668 -0.612 0.000) 0.906 3.545 ( 1.495 -0.358 0.000) 1.537 3.603 ( -1.078 0.189 0.000) 1.095 3.680 ( -0.487 0.092 0.000) 0.495 3.859 ( 0.594 0.023 0.000) 0.594 3.892 ( 0.720 0.038 0.000) 0.721 3.935 ( 0.833 0.011 0.000) 0.833 4.295 ( 1.868 -0.084 0.000) 1.870 4.476 ( -3.451 -0.189 0.000) 3.456 4.791 ( 6.743 0.463 0.000) 6.759 4.824 ( 0.191 -0.956 0.000) 0.975 5.418 ( 1.603 0.360 0.000) 1.643 5.614 ( -0.901 -0.325 0.000) 0.957 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -8.752 -5.295 0.000) 10.229 0.969 ( -2.671 -0.542 0.000) 2.726 1.086 ( -5.694 0.118 0.000) 5.695 1.169 ( -0.049 1.575 0.000) 1.576 1.286 ( -3.383 -4.956 0.000) 6.001 1.415 ( -1.221 0.095 0.000) 1.225 1.425 ( 0.619 -0.705 0.000) 0.938 1.494 ( -5.820 2.011 0.000) 6.158 1.576 ( 3.827 2.153 0.000) 4.391 1.663 ( -7.250 2.065 0.000) 7.538 1.707 ( 0.909 1.978 0.000) 2.177 1.818 ( -0.784 -0.531 0.000) 0.947 1.927 ( 1.682 -1.019 0.000) 1.966 2.092 ( -8.530 -1.191 0.000) 8.613 2.131 ( -8.758 3.224 0.000) 9.333 2.344 ( -1.844 1.480 0.000) 2.364 2.383 ( -4.754 0.980 0.000) 4.854 2.709 ( -0.722 -0.165 0.000) 0.741 2.923 ( 2.302 -0.217 0.000) 2.312 3.063 ( -3.627 -0.086 0.000) 3.628 3.111 ( 3.654 0.201 0.000) 3.659 3.277 ( -4.621 0.276 0.000) 4.630 3.465 ( 1.240 0.155 0.000) 1.250 3.509 ( -1.186 0.003 0.000) 1.186 3.579 ( 1.920 -0.837 0.000) 2.094 3.607 ( 2.224 -0.126 0.000) 2.228 3.651 ( -2.763 0.051 0.000) 2.763 3.876 ( 1.237 -0.020 0.000) 1.238 3.900 ( 0.044 -0.032 0.000) 0.054 3.940 ( -0.941 -0.541 0.000) 1.086 4.339 ( 2.375 -0.601 0.000) 2.450 4.404 ( -4.205 -0.388 0.000) 4.222 4.824 ( 0.198 -1.607 0.000) 1.619 4.963 ( 9.922 0.480 0.000) 9.934 5.456 ( 2.601 0.868 0.000) 2.742 5.595 ( -1.313 -0.854 0.000) 1.566 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -11.552 -4.041 0.000) 12.239 0.874 ( -9.514 1.162 0.000) 9.585 0.963 ( -3.947 -2.075 0.000) 4.459 1.083 ( -7.442 0.556 0.000) 7.463 1.254 ( -4.183 -7.019 0.000) 8.171 1.344 ( -5.870 0.305 0.000) 5.878 1.438 ( -4.933 -3.537 0.000) 6.070 1.470 ( 5.657 1.186 0.000) 5.780 1.529 ( -2.790 5.881 0.000) 6.509 1.639 ( 3.488 2.273 0.000) 4.163 1.689 ( -3.600 0.430 0.000) 3.626 1.801 ( -1.514 -0.906 0.000) 1.765 1.882 ( -6.008 1.701 0.000) 6.244 1.890 ( -12.211 -1.995 0.000) 12.373 1.965 ( -4.222 3.055 0.000) 5.212 2.201 ( -9.597 2.197 0.000) 9.845 2.296 ( -6.102 0.367 0.000) 6.113 2.712 ( 1.103 0.314 0.000) 1.147 2.933 ( -1.672 -0.067 0.000) 1.674 3.024 ( -0.551 0.068 0.000) 0.555 3.151 ( -0.513 0.696 0.000) 0.864 3.223 ( -0.366 0.333 0.000) 0.495 3.503 ( 0.957 0.152 0.000) 0.969 3.510 ( 3.523 0.102 0.000) 3.525 3.566 ( -6.200 -0.073 0.000) 6.201 3.625 ( 2.340 -0.231 0.000) 2.351 3.697 ( 6.811 -0.193 0.000) 6.814 3.892 ( -4.661 -1.878 0.000) 5.025 3.899 ( 0.079 -0.295 0.000) 0.306 3.908 ( 1.940 -0.140 0.000) 1.945 4.314 ( -5.346 -0.617 0.000) 5.382 4.386 ( 1.218 -2.889 0.000) 3.135 4.843 ( 0.881 -2.038 0.000) 2.220 5.163 ( 10.953 0.925 0.000) 10.992 5.504 ( 2.607 1.151 0.000) 2.850 5.577 ( -0.803 -1.262 0.000) 1.495 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -10.875 1.384 0.000) 10.963 0.629 ( -14.128 1.342 0.000) 14.191 0.906 ( -6.715 -0.141 0.000) 6.716 0.964 ( -1.332 -3.166 0.000) 3.435 1.103 ( -15.087 0.465 0.000) 15.094 1.259 ( -3.230 -0.572 0.000) 3.281 1.338 ( -5.226 -3.157 0.000) 6.106 1.450 ( -2.878 0.904 0.000) 3.016 1.554 ( -2.919 0.487 0.000) 2.959 1.602 ( -4.454 -1.135 0.000) 4.596 1.634 ( -1.576 -2.420 0.000) 2.888 1.732 ( 1.145 0.650 0.000) 1.316 1.778 ( -5.143 -0.310 0.000) 5.153 1.806 ( -0.240 -0.752 0.000) 0.790 1.881 ( -4.495 1.035 0.000) 4.612 2.010 ( -7.455 1.613 0.000) 7.628 2.152 ( -6.926 3.151 0.000) 7.609 2.747 ( 2.783 0.955 0.000) 2.943 2.866 ( -4.710 0.130 0.000) 4.711 3.028 ( 0.582 0.142 0.000) 0.600 3.078 ( -5.728 1.562 0.000) 5.937 3.255 ( 3.229 -0.125 0.000) 3.232 3.419 ( -8.560 -0.124 0.000) 8.561 3.537 ( 2.150 -0.091 0.000) 2.151 3.585 ( 3.756 -0.181 0.000) 3.760 3.652 ( -1.072 -1.126 0.000) 1.555 3.778 ( -4.263 -2.189 0.000) 4.792 3.858 ( 5.642 -0.186 0.000) 5.645 3.911 ( 0.837 -0.696 0.000) 1.089 3.950 ( 2.268 -0.164 0.000) 2.274 4.211 ( -5.240 -0.910 0.000) 5.318 4.395 ( -3.807 -8.382 0.000) 9.206 4.878 ( 1.887 -1.179 0.000) 2.225 5.365 ( 10.508 1.639 0.000) 10.635 5.524 ( -0.365 -0.889 0.000) 0.961 5.595 ( 2.338 0.601 0.000) 2.414 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( -14.999 1.674 0.000) 15.092 0.357 ( -4.981 9.998 0.000) 11.170 0.731 ( -18.521 10.141 0.000) 21.115 0.776 ( -5.458 -0.268 0.000) 5.465 1.009 ( 3.232 -3.137 0.000) 4.504 1.213 ( -1.940 0.068 0.000) 1.941 1.276 ( -2.472 -2.348 0.000) 3.409 1.340 ( -11.757 -3.845 0.000) 12.370 1.440 ( 0.073 -4.439 0.000) 4.439 1.608 ( -3.102 -4.472 0.000) 5.443 1.654 ( 2.739 -0.380 0.000) 2.765 1.679 ( -5.632 -4.192 0.000) 7.021 1.762 ( -5.459 1.914 0.000) 5.784 1.765 ( 1.664 1.381 0.000) 2.162 1.814 ( 0.645 -0.163 0.000) 0.665 1.967 ( 3.181 2.395 0.000) 3.982 2.042 ( -0.859 5.181 0.000) 5.252 2.776 ( -3.995 0.175 0.000) 3.999 2.801 ( 2.818 1.189 0.000) 3.059 2.957 ( -5.153 0.424 0.000) 5.170 3.035 ( 0.045 0.151 0.000) 0.157 3.268 ( -6.261 -0.076 0.000) 6.261 3.327 ( 3.340 -0.725 0.000) 3.418 3.514 ( -15.546 -8.869 0.000) 17.898 3.584 ( 1.090 -0.948 0.000) 1.444 3.644 ( 2.108 -0.475 0.000) 2.161 3.748 ( 0.469 0.839 0.000) 0.961 3.913 ( -0.814 0.220 0.000) 0.843 3.933 ( 0.882 -0.979 0.000) 1.318 3.989 ( 1.542 -0.090 0.000) 1.544 4.121 ( -8.414 -4.349 0.000) 9.471 4.318 ( -7.509 -10.676 0.000) 13.052 4.920 ( 1.927 0.097 0.000) 1.929 5.520 ( -0.614 -2.123 0.000) 2.210 5.543 ( 8.965 2.464 0.000) 9.297 5.635 ( 1.976 1.702 0.000) 2.608 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.102 ( 0.000 4.308 0.000) 4.308 0.286 ( 0.000 13.569 0.000) 13.569 0.399 ( 0.000 19.213 0.000) 19.213 0.722 ( -0.000 -0.128 0.000) 0.128 1.074 ( -0.000 -0.183 0.000) 0.183 1.189 ( 0.000 0.542 0.000) 0.542 1.227 ( -0.000 -7.231 0.000) 7.231 1.268 ( -0.000 -1.874 0.000) 1.874 1.461 ( -0.000 -3.640 0.000) 3.640 1.616 ( -0.000 -9.096 0.000) 9.096 1.619 ( -0.000 -1.531 0.000) 1.531 1.684 ( -0.000 -0.159 0.000) 0.159 1.699 ( 0.000 1.556 0.000) 1.556 1.774 ( 0.000 0.945 0.000) 0.945 1.822 ( 0.000 0.249 0.000) 0.249 1.966 ( 0.000 6.822 0.000) 6.822 2.229 ( -0.000 -4.604 0.000) 4.604 2.733 ( 0.000 0.145 0.000) 0.145 2.814 ( 0.000 0.231 0.000) 0.231 2.909 ( -0.000 -0.176 0.000) 0.176 3.026 ( 0.000 0.249 0.000) 0.249 3.031 ( 0.000 0.161 0.000) 0.161 3.207 ( -0.000 -0.056 0.000) 0.056 3.382 ( -0.000 -0.237 0.000) 0.237 3.607 ( -0.000 -0.480 0.000) 0.480 3.667 ( -0.000 -0.531 0.000) 0.531 3.750 ( 0.000 1.346 0.000) 1.346 3.886 ( 0.000 0.031 0.000) 0.031 3.930 ( 0.000 0.073 0.000) 0.073 3.948 ( -0.000 -0.998 0.000) 0.998 4.005 ( -0.000 -0.024 0.000) 0.024 4.288 ( -0.000 -2.498 0.000) 2.498 4.940 ( 0.000 0.413 0.000) 0.413 5.525 ( -0.000 -2.416 0.000) 2.416 5.646 ( 0.000 1.983 0.000) 1.983 5.654 ( 0.000 0.096 0.000) 0.096 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 2.342 0.000 0.000) 2.342 1.060 ( -1.789 -0.000 0.000) 1.789 1.098 ( -3.184 -0.000 0.000) 3.184 1.258 ( -0.094 -0.000 0.000) 0.094 1.367 ( -1.093 -0.000 0.000) 1.093 1.468 ( 2.120 0.000 0.000) 2.120 1.511 ( -5.254 -0.000 0.000) 5.254 1.526 ( 0.388 0.000 0.000) 0.388 1.541 ( -0.664 -0.000 0.000) 0.664 1.672 ( 5.739 0.000 0.000) 5.739 1.822 ( 2.342 0.000 0.000) 2.342 1.827 ( -0.270 -0.000 0.000) 0.270 1.873 ( -0.348 -0.000 0.000) 0.348 2.233 ( -0.599 -0.000 0.000) 0.599 2.247 ( -0.780 -0.000 0.000) 0.780 2.338 ( -0.980 -0.000 0.000) 0.980 2.446 ( 4.015 0.000 0.000) 4.015 2.746 ( -0.085 -0.000 0.000) 0.085 2.843 ( -0.241 -0.000 0.000) 0.241 3.019 ( 1.007 0.000 0.000) 1.007 3.209 ( -0.278 -0.000 0.000) 0.278 3.457 ( 0.077 0.000 0.000) 0.077 3.474 ( -1.484 -0.000 0.000) 1.484 3.506 ( 0.693 0.000 0.000) 0.693 3.537 ( -0.911 -0.000 0.000) 0.911 3.618 ( 0.174 0.000 0.000) 0.174 3.681 ( 0.190 0.000 0.000) 0.190 3.853 ( 0.059 0.000 0.000) 0.059 3.882 ( 0.083 0.000 0.000) 0.083 3.924 ( 0.115 0.000 0.000) 0.115 4.275 ( -0.059 -0.000 0.000) 0.059 4.521 ( -0.360 -0.000 0.000) 0.360 4.707 ( 0.600 0.000 0.000) 0.600 4.835 ( -1.216 -0.000 0.000) 1.216 5.399 ( 0.486 0.000 0.000) 0.486 5.626 ( -0.422 -0.000 0.000) 0.422 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -1.498 1.273 0.000) 1.966 1.025 ( -5.355 -0.591 0.000) 5.388 1.054 ( 5.552 -1.214 0.000) 5.684 1.221 ( -3.497 0.049 0.000) 3.497 1.317 ( -3.993 -1.534 0.000) 4.278 1.426 ( -2.179 0.306 0.000) 2.200 1.486 ( -3.566 0.715 0.000) 3.637 1.526 ( 3.174 -0.124 0.000) 3.176 1.565 ( 1.664 0.775 0.000) 1.836 1.769 ( -0.990 -0.802 0.000) 1.274 1.786 ( -3.717 3.988 0.000) 5.452 1.824 ( -0.268 -0.062 0.000) 0.275 1.836 ( 1.003 -3.331 0.000) 3.479 2.196 ( -3.564 -0.169 0.000) 3.568 2.243 ( -0.978 0.798 0.000) 1.262 2.350 ( 1.389 -0.029 0.000) 1.389 2.467 ( -1.450 0.460 0.000) 1.521 2.730 ( -1.370 -0.070 0.000) 1.372 2.867 ( 2.522 -0.054 0.000) 2.523 3.054 ( 2.528 0.187 0.000) 2.535 3.151 ( -4.877 -0.052 0.000) 4.877 3.381 ( -5.652 -0.037 0.000) 5.652 3.457 ( 0.031 0.024 0.000) 0.039 3.523 ( -0.587 -0.232 0.000) 0.631 3.542 ( 1.213 -0.131 0.000) 1.220 3.604 ( -1.106 0.072 0.000) 1.108 3.681 ( -0.482 0.034 0.000) 0.483 3.859 ( 0.594 0.008 0.000) 0.594 3.892 ( 0.720 0.014 0.000) 0.720 3.935 ( 0.778 0.004 0.000) 0.778 4.294 ( 1.808 -0.032 0.000) 1.808 4.475 ( -3.491 -0.070 0.000) 3.491 4.795 ( 7.273 0.266 0.000) 7.278 4.817 ( -0.535 -0.445 0.000) 0.696 5.420 ( 1.740 0.135 0.000) 1.745 5.612 ( -1.033 -0.122 0.000) 1.040 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -8.893 -2.990 0.000) 9.382 0.965 ( -2.619 -0.274 0.000) 2.633 1.086 ( -6.316 -0.017 0.000) 6.316 1.182 ( 0.363 1.008 0.000) 1.072 1.247 ( -4.068 -2.733 0.000) 4.901 1.416 ( -1.050 0.054 0.000) 1.051 1.420 ( 0.221 -0.394 0.000) 0.452 1.511 ( -6.526 1.363 0.000) 6.667 1.594 ( 3.958 1.241 0.000) 4.148 1.669 ( -6.526 -0.200 0.000) 6.529 1.737 ( 0.846 3.183 0.000) 3.294 1.813 ( -0.924 -0.328 0.000) 0.980 1.911 ( 1.793 -1.831 0.000) 2.562 2.082 ( -8.830 -0.717 0.000) 8.859 2.157 ( -7.259 1.899 0.000) 7.504 2.356 ( -1.378 0.899 0.000) 1.645 2.392 ( -5.847 0.623 0.000) 5.880 2.708 ( -0.597 -0.086 0.000) 0.603 2.921 ( 2.330 -0.127 0.000) 2.334 3.062 ( -3.562 -0.049 0.000) 3.562 3.113 ( 3.492 0.092 0.000) 3.493 3.279 ( -4.468 0.146 0.000) 4.471 3.466 ( 1.256 0.089 0.000) 1.259 3.510 ( -0.839 0.125 0.000) 0.848 3.571 ( 2.004 -0.598 0.000) 2.091 3.606 ( 2.093 -0.070 0.000) 2.094 3.651 ( -2.811 0.030 0.000) 2.811 3.876 ( 1.200 -0.012 0.000) 1.200 3.900 ( -0.024 -0.018 0.000) 0.030 3.935 ( -1.352 -0.327 0.000) 1.391 4.334 ( 1.958 -0.360 0.000) 1.990 4.401 ( -4.288 -0.229 0.000) 4.295 4.811 ( -0.042 -0.882 0.000) 0.883 4.967 ( 10.058 0.253 0.000) 10.061 5.463 ( 2.822 0.557 0.000) 2.876 5.588 ( -1.564 -0.549 0.000) 1.658 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -9.013 -2.026 0.000) 9.238 0.887 ( -9.109 1.461 0.000) 9.225 0.943 ( -4.245 -1.945 0.000) 4.669 1.087 ( -8.335 0.267 0.000) 8.340 1.187 ( -4.908 -5.804 0.000) 7.601 1.352 ( -6.245 0.956 0.000) 6.318 1.407 ( -5.214 -2.772 0.000) 5.905 1.481 ( 5.878 0.900 0.000) 5.947 1.577 ( -1.751 3.464 0.000) 3.882 1.660 ( 3.451 1.819 0.000) 3.901 1.702 ( -4.613 2.251 0.000) 5.133 1.794 ( -1.514 -0.520 0.000) 1.601 1.871 ( -12.721 -1.814 0.000) 12.850 1.881 ( -5.535 -1.316 0.000) 5.689 1.998 ( -6.015 3.113 0.000) 6.773 2.220 ( -9.895 1.635 0.000) 10.029 2.298 ( -5.329 0.077 0.000) 5.329 2.715 ( 1.386 0.246 0.000) 1.408 2.932 ( -1.567 -0.051 0.000) 1.568 3.025 ( -0.494 0.049 0.000) 0.496 3.158 ( 0.239 0.641 0.000) 0.684 3.226 ( -0.590 0.231 0.000) 0.634 3.505 ( 0.791 0.178 0.000) 0.811 3.511 ( 3.434 0.074 0.000) 3.434 3.565 ( -6.247 -0.051 0.000) 6.247 3.622 ( 2.680 -0.210 0.000) 2.689 3.695 ( 6.915 -0.099 0.000) 6.916 3.873 ( -5.494 -1.632 0.000) 5.732 3.897 ( -0.095 -0.212 0.000) 0.233 3.906 ( 1.915 -0.108 0.000) 1.918 4.309 ( -5.424 -0.423 0.000) 5.440 4.361 ( -0.427 -2.180 0.000) 2.221 4.826 ( 1.170 -1.265 0.000) 1.724 5.170 ( 11.109 0.594 0.000) 11.125 5.516 ( 2.544 1.292 0.000) 2.853 5.564 ( -0.811 -1.371 0.000) 1.593 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -5.734 4.798 0.000) 7.477 0.642 ( -14.145 1.158 0.000) 14.192 0.904 ( -6.133 -0.206 0.000) 6.137 0.935 ( -2.517 -2.597 0.000) 3.617 1.075 ( -11.032 -5.400 0.000) 12.282 1.257 ( -3.390 0.125 0.000) 3.393 1.310 ( -5.120 -2.667 0.000) 5.773 1.481 ( -6.103 4.995 0.000) 7.886 1.558 ( -8.289 0.263 0.000) 8.293 1.592 ( -1.464 -0.854 0.000) 1.695 1.616 ( -2.049 -1.308 0.000) 2.431 1.739 ( 2.285 0.663 0.000) 2.379 1.756 ( -8.321 -3.650 0.000) 9.086 1.798 ( 0.094 -0.809 0.000) 0.815 1.900 ( -4.047 2.256 0.000) 4.633 2.024 ( -7.949 1.192 0.000) 8.038 2.180 ( -5.589 2.405 0.000) 6.084 2.756 ( 3.020 0.794 0.000) 3.123 2.868 ( -4.646 0.110 0.000) 4.648 3.029 ( 0.595 0.124 0.000) 0.608 3.096 ( -5.662 1.857 0.000) 5.958 3.253 ( 2.953 -0.270 0.000) 2.965 3.418 ( -8.552 -0.103 0.000) 8.552 3.536 ( 2.106 -0.083 0.000) 2.107 3.583 ( 3.581 -0.168 0.000) 3.585 3.637 ( -4.328 -1.835 0.000) 4.701 3.760 ( -3.305 -1.445 0.000) 3.608 3.854 ( 6.636 -0.398 0.000) 6.648 3.904 ( 0.658 -0.590 0.000) 0.884 3.949 ( 2.276 -0.161 0.000) 2.282 4.204 ( -5.366 -0.619 0.000) 5.402 4.320 ( -6.346 -6.572 0.000) 9.136 4.869 ( 2.655 -0.619 0.000) 2.726 5.378 ( 10.753 1.102 0.000) 10.809 5.516 ( -1.262 -0.714 0.000) 1.450 5.601 ( 3.154 0.470 0.000) 3.189 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -14.679 1.409 0.000) 14.746 0.472 ( -0.853 12.621 0.000) 12.650 0.771 ( -5.664 -0.925 0.000) 5.739 0.814 ( -13.999 6.010 0.000) 15.235 0.978 ( 3.744 -2.905 0.000) 4.739 1.213 ( -1.318 0.061 0.000) 1.319 1.253 ( -2.269 -2.398 0.000) 3.301 1.308 ( -12.741 -2.585 0.000) 13.000 1.403 ( -1.153 -2.624 0.000) 2.866 1.561 ( -5.790 -4.846 0.000) 7.550 1.639 ( -4.508 -3.675 0.000) 5.816 1.644 ( 1.818 -1.497 0.000) 2.354 1.780 ( 2.021 1.511 0.000) 2.524 1.782 ( -5.734 1.784 0.000) 6.005 1.812 ( 0.891 -0.113 0.000) 0.899 1.983 ( 4.147 0.905 0.000) 4.244 2.088 ( -1.589 4.038 0.000) 4.339 2.777 ( -3.999 0.174 0.000) 4.003 2.812 ( 2.687 1.089 0.000) 2.899 2.962 ( -6.012 0.639 0.000) 6.046 3.036 ( 0.058 0.153 0.000) 0.164 3.268 ( -6.236 -0.072 0.000) 6.237 3.316 ( 0.963 -1.658 0.000) 1.917 3.429 ( -17.729 -7.430 0.000) 19.223 3.578 ( 1.819 -0.349 0.000) 1.852 3.639 ( 1.972 -0.504 0.000) 2.036 3.757 ( 1.126 0.972 0.000) 1.487 3.915 ( -0.932 0.146 0.000) 0.943 3.923 ( 0.772 -0.950 0.000) 1.224 3.988 ( 1.568 -0.130 0.000) 1.574 4.083 ( -10.820 -3.106 0.000) 11.257 4.239 ( -1.871 -5.833 0.000) 6.126 4.922 ( 2.326 0.230 0.000) 2.338 5.500 ( -0.874 -1.741 0.000) 1.948 5.561 ( 8.465 1.321 0.000) 8.567 5.650 ( 2.184 1.335 0.000) 2.559 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.139 ( 0.000 3.069 0.000) 3.069 0.413 ( 0.000 11.872 0.000) 11.872 0.582 ( 0.000 17.365 0.000) 17.365 0.718 ( -0.000 -0.745 0.000) 0.745 1.072 ( -0.000 -0.211 0.000) 0.211 1.156 ( -0.000 -6.677 0.000) 6.677 1.196 ( 0.000 0.849 0.000) 0.849 1.246 ( -0.000 -2.518 0.000) 2.518 1.421 ( -0.000 -4.480 0.000) 4.480 1.530 ( -0.000 -8.196 0.000) 8.196 1.603 ( -0.000 -1.751 0.000) 1.751 1.671 ( -0.000 -2.161 0.000) 2.161 1.715 ( 0.000 1.479 0.000) 1.479 1.791 ( 0.000 2.116 0.000) 2.116 1.823 ( -0.000 -0.001 0.000) 0.001 2.025 ( 0.000 4.974 0.000) 4.974 2.178 ( -0.000 -5.399 0.000) 5.399 2.735 ( 0.000 0.167 0.000) 0.167 2.817 ( 0.000 0.262 0.000) 0.262 2.908 ( -0.000 -0.021 0.000) 0.021 3.029 ( 0.000 0.287 0.000) 0.287 3.033 ( 0.000 0.186 0.000) 0.186 3.206 ( -0.000 -0.059 0.000) 0.059 3.379 ( -0.000 -0.344 0.000) 0.344 3.602 ( -0.000 -0.490 0.000) 0.490 3.662 ( -0.000 -0.647 0.000) 0.647 3.765 ( 0.000 1.494 0.000) 1.494 3.887 ( 0.000 0.036 0.000) 0.036 3.931 ( 0.000 0.085 0.000) 0.085 3.937 ( -0.000 -1.105 0.000) 1.105 4.004 ( -0.000 -0.088 0.000) 0.088 4.261 ( -0.000 -2.958 0.000) 2.958 4.944 ( 0.000 0.469 0.000) 0.469 5.502 ( -0.000 -2.205 0.000) 2.205 5.655 ( 0.000 0.112 0.000) 0.112 5.664 ( 0.000 1.723 0.000) 1.723 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -8.938 -0.000 0.000) 8.938 0.964 ( -2.590 -0.000 0.000) 2.590 1.086 ( -6.496 -0.000 0.000) 6.496 1.187 ( 0.451 0.000 0.000) 0.451 1.233 ( -4.309 -0.000 0.000) 4.309 1.416 ( -0.982 -0.000 0.000) 0.982 1.418 ( 0.087 0.000 0.000) 0.087 1.518 ( -6.922 -0.000 0.000) 6.922 1.600 ( 4.019 0.000 0.000) 4.019 1.667 ( -5.867 -0.000 0.000) 5.867 1.755 ( 0.419 0.000 0.000) 0.419 1.812 ( -0.978 -0.000 0.000) 0.978 1.900 ( 2.031 0.000 0.000) 2.031 2.078 ( -8.948 -0.000 0.000) 8.948 2.167 ( -6.756 -0.000 0.000) 6.756 2.361 ( -1.304 -0.000 0.000) 1.304 2.395 ( -6.204 -0.000 0.000) 6.204 2.707 ( -0.541 -0.000 0.000) 0.541 2.921 ( 2.340 0.000 0.000) 2.340 3.062 ( -3.538 -0.000 0.000) 3.538 3.113 ( 3.437 0.000 0.000) 3.437 3.280 ( -4.410 -0.000 0.000) 4.410 3.466 ( 1.262 0.000 0.000) 1.262 3.511 ( -0.711 -0.000 0.000) 0.711 3.568 ( 2.035 0.000 0.000) 2.035 3.605 ( 2.045 0.000 0.000) 2.045 3.651 ( -2.828 -0.000 0.000) 2.828 3.876 ( 1.186 0.000 0.000) 1.186 3.900 ( -0.049 -0.000 0.000) 0.049 3.934 ( -1.511 -0.000 0.000) 1.511 4.332 ( 1.803 0.000 0.000) 1.803 4.400 ( -4.320 -0.000 0.000) 4.320 4.807 ( -0.119 -0.000 0.000) 0.119 4.968 ( 10.104 0.000 0.000) 10.104 5.466 ( 2.925 0.000 0.000) 2.925 5.585 ( -1.679 -0.000 0.000) 1.679 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -7.037 -0.524 0.000) 7.056 0.901 ( -10.059 1.343 0.000) 10.148 0.925 ( -3.211 -1.488 0.000) 3.539 1.088 ( -8.853 0.075 0.000) 8.854 1.146 ( -5.777 -2.227 0.000) 6.191 1.363 ( -6.838 1.209 0.000) 6.944 1.383 ( -5.213 -1.846 0.000) 5.530 1.487 ( 5.965 0.339 0.000) 5.975 1.598 ( -0.917 0.950 0.000) 1.320 1.673 ( 3.546 0.703 0.000) 3.615 1.725 ( -4.779 1.703 0.000) 5.074 1.791 ( -1.052 -0.099 0.000) 1.056 1.857 ( -13.571 -0.807 0.000) 13.594 1.866 ( -5.965 -1.202 0.000) 6.085 2.020 ( -6.681 1.221 0.000) 6.792 2.232 ( -10.173 0.608 0.000) 10.192 2.298 ( -4.772 -0.026 0.000) 4.772 2.717 ( 1.531 0.093 0.000) 1.534 2.932 ( -1.507 -0.019 0.000) 1.507 3.025 ( -0.461 0.018 0.000) 0.462 3.163 ( 0.789 0.268 0.000) 0.833 3.227 ( -0.763 0.080 0.000) 0.768 3.506 ( 0.657 0.082 0.000) 0.662 3.512 ( 3.381 0.027 0.000) 3.381 3.565 ( -6.273 -0.018 0.000) 6.273 3.621 ( 2.925 -0.088 0.000) 2.926 3.695 ( 7.034 -0.022 0.000) 7.034 3.862 ( -6.139 -0.665 0.000) 6.175 3.895 ( -0.194 -0.077 0.000) 0.209 3.906 ( 1.898 -0.040 0.000) 1.899 4.306 ( -5.468 -0.138 0.000) 5.469 4.345 ( -1.335 -0.816 0.000) 1.565 4.818 ( 1.373 -0.422 0.000) 1.437 5.174 ( 11.187 0.204 0.000) 11.189 5.528 ( 3.198 0.990 0.000) 3.348 5.551 ( -1.506 -1.019 0.000) 1.819 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.849 5.045 0.000) 5.116 0.651 ( -14.255 0.660 0.000) 14.270 0.903 ( -5.891 -0.074 0.000) 5.892 0.914 ( -3.185 -1.521 0.000) 3.529 1.015 ( -10.034 -5.629 0.000) 11.505 1.258 ( -3.422 0.131 0.000) 3.424 1.287 ( -4.960 -1.752 0.000) 5.261 1.538 ( -7.732 5.851 0.000) 9.696 1.559 ( -13.223 0.077 0.000) 13.223 1.586 ( 1.888 -0.420 0.000) 1.934 1.607 ( -2.173 -0.730 0.000) 2.293 1.713 ( -10.173 -4.351 0.000) 11.065 1.745 ( 2.759 0.464 0.000) 2.798 1.791 ( 0.561 -0.576 0.000) 0.804 1.920 ( -4.323 1.423 0.000) 4.551 2.033 ( -8.314 0.630 0.000) 8.338 2.198 ( -4.787 1.288 0.000) 4.957 2.762 ( 3.188 0.445 0.000) 3.219 2.869 ( -4.600 0.062 0.000) 4.600 3.030 ( 0.606 0.072 0.000) 0.610 3.112 ( -5.578 1.382 0.000) 5.747 3.250 ( 2.715 -0.278 0.000) 2.729 3.417 ( -8.546 -0.057 0.000) 8.546 3.535 ( 2.068 -0.050 0.000) 2.069 3.582 ( 3.448 -0.102 0.000) 3.449 3.619 ( -7.523 -1.542 0.000) 7.679 3.750 ( -1.845 -0.604 0.000) 1.942 3.851 ( 7.350 -0.315 0.000) 7.357 3.899 ( 0.528 -0.338 0.000) 0.627 3.947 ( 2.280 -0.099 0.000) 2.282 4.200 ( -5.157 -0.123 0.000) 5.158 4.268 ( -7.802 -3.658 0.000) 8.617 4.865 ( 3.120 -0.258 0.000) 3.131 5.387 ( 10.844 0.546 0.000) 10.858 5.510 ( -1.795 -0.396 0.000) 1.838 5.604 ( 3.629 0.258 0.000) 3.638 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -14.554 0.855 0.000) 14.579 0.599 ( 0.053 12.505 0.000) 12.505 0.759 ( -5.967 -1.335 0.000) 6.115 0.842 ( -7.818 -0.595 0.000) 7.840 0.955 ( 3.894 -1.680 0.000) 4.240 1.215 ( -1.090 0.317 0.000) 1.135 1.231 ( -1.950 -1.837 0.000) 2.679 1.288 ( -13.197 -1.349 0.000) 13.266 1.393 ( -3.921 0.699 0.000) 3.983 1.513 ( -8.369 -4.835 0.000) 9.665 1.608 ( -2.638 -2.558 0.000) 3.675 1.629 ( 1.065 -1.372 0.000) 1.737 1.791 ( 2.046 0.587 0.000) 2.128 1.796 ( -6.129 1.129 0.000) 6.232 1.813 ( 1.294 0.308 0.000) 1.330 1.987 ( 3.335 0.022 0.000) 3.335 2.121 ( -1.912 2.508 0.000) 3.154 2.779 ( -4.001 0.127 0.000) 4.003 2.822 ( 2.524 0.769 0.000) 2.639 2.969 ( -7.021 0.629 0.000) 7.049 3.038 ( 0.069 0.114 0.000) 0.133 3.267 ( -6.215 -0.049 0.000) 6.215 3.293 ( -5.784 -2.776 0.000) 6.415 3.376 ( -11.194 -3.220 0.000) 11.648 3.575 ( 1.817 -0.205 0.000) 1.829 3.635 ( 1.851 -0.386 0.000) 1.891 3.766 ( 1.528 0.759 0.000) 1.706 3.915 ( 0.679 -0.686 0.000) 0.965 3.916 ( -1.031 0.065 0.000) 1.033 3.987 ( 1.587 -0.112 0.000) 1.591 4.060 ( -10.778 -1.561 0.000) 10.890 4.195 ( 0.857 -3.291 0.000) 3.401 4.924 ( 2.553 0.195 0.000) 2.561 5.486 ( -1.079 -1.142 0.000) 1.571 5.571 ( 8.047 0.660 0.000) 8.074 5.661 ( 2.346 0.854 0.000) 2.497 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( 0.000 1.788 0.000) 1.788 0.519 ( 0.000 9.142 0.000) 9.142 0.706 ( -0.000 -1.518 0.000) 1.518 0.740 ( 0.000 14.161 0.000) 14.161 1.070 ( -0.000 -0.182 0.000) 0.182 1.100 ( -0.000 -4.409 0.000) 4.409 1.206 ( 0.000 1.183 0.000) 1.183 1.220 ( -0.000 -2.543 0.000) 2.543 1.375 ( -0.000 -4.587 0.000) 4.587 1.455 ( -0.000 -6.714 0.000) 6.714 1.586 ( -0.000 -1.502 0.000) 1.502 1.648 ( -0.000 -2.299 0.000) 2.299 1.728 ( 0.000 1.108 0.000) 1.108 1.809 ( 0.000 1.008 0.000) 1.008 1.824 ( 0.000 0.554 0.000) 0.554 2.060 ( 0.000 1.688 0.000) 1.688 2.130 ( -0.000 -3.492 0.000) 3.492 2.736 ( 0.000 0.145 0.000) 0.145 2.819 ( 0.000 0.222 0.000) 0.222 2.908 ( 0.000 0.162 0.000) 0.162 3.032 ( 0.000 0.248 0.000) 0.248 3.035 ( 0.000 0.161 0.000) 0.161 3.205 ( -0.000 -0.046 0.000) 0.046 3.375 ( -0.000 -0.363 0.000) 0.363 3.598 ( -0.000 -0.388 0.000) 0.388 3.655 ( -0.000 -0.589 0.000) 0.589 3.779 ( 0.000 1.267 0.000) 1.267 3.887 ( 0.000 0.031 0.000) 0.031 3.927 ( -0.000 -0.938 0.000) 0.938 3.932 ( 0.000 0.073 0.000) 0.073 4.003 ( -0.000 -0.109 0.000) 0.109 4.232 ( -0.000 -2.637 0.000) 2.637 4.948 ( 0.000 0.400 0.000) 0.400 5.482 ( -0.000 -1.659 0.000) 1.659 5.656 ( 0.000 0.098 0.000) 0.098 5.679 ( 0.000 1.258 0.000) 1.258 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -14.319 -0.000 0.000) 14.319 0.660 ( 1.646 0.000 0.000) 1.646 0.903 ( -9.550 -0.000 0.000) 9.550 0.905 ( 0.326 0.000 0.000) 0.326 0.983 ( -10.641 -0.000 0.000) 10.641 1.259 ( -3.521 -0.000 0.000) 3.521 1.278 ( -4.813 -0.000 0.000) 4.813 1.560 ( -15.251 -0.000 0.000) 15.251 1.578 ( -9.381 -0.000 0.000) 9.381 1.584 ( 3.367 0.000 0.000) 3.367 1.599 ( -0.403 -0.000 0.000) 0.403 1.686 ( -11.304 -0.000 0.000) 11.304 1.747 ( 2.826 0.000 0.000) 2.826 1.787 ( 0.811 0.000 0.000) 0.811 1.927 ( -4.494 -0.000 0.000) 4.494 2.036 ( -8.446 -0.000 0.000) 8.446 2.205 ( -4.522 -0.000 0.000) 4.522 2.764 ( 3.250 0.000 0.000) 3.250 2.869 ( -4.582 -0.000 0.000) 4.582 3.030 ( 0.610 0.000 0.000) 0.610 3.120 ( -5.538 -0.000 0.000) 5.538 3.248 ( 2.620 0.000 0.000) 2.620 3.417 ( -8.544 -0.000 0.000) 8.544 3.535 ( 2.053 0.000 0.000) 2.053 3.581 ( 3.398 0.000 0.000) 3.398 3.610 ( -8.773 -0.000 0.000) 8.773 3.747 ( -1.231 -0.000 0.000) 1.231 3.849 ( 7.604 0.000 0.000) 7.604 3.898 ( 0.481 0.000 0.000) 0.481 3.947 ( 2.280 0.000 0.000) 2.280 4.200 ( -4.805 -0.000 0.000) 4.805 4.249 ( -8.494 -0.000 0.000) 8.494 4.864 ( 3.273 0.000 0.000) 3.273 5.389 ( 10.866 0.000 0.000) 10.866 5.508 ( -1.972 -0.000 0.000) 1.972 5.606 ( 3.785 0.000 0.000) 3.785 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -14.541 0.270 0.000) 14.543 0.714 ( -2.653 10.333 0.000) 10.669 0.748 ( -6.201 -0.654 0.000) 6.235 0.805 ( -0.751 -6.467 0.000) 6.511 0.944 ( 3.895 -0.485 0.000) 3.925 1.211 ( -2.150 -0.679 0.000) 2.255 1.224 ( -0.459 0.175 0.000) 0.491 1.280 ( -13.334 -0.403 0.000) 13.340 1.415 ( -6.204 3.299 0.000) 7.027 1.465 ( -9.965 -4.444 0.000) 10.911 1.590 ( -1.571 -0.892 0.000) 1.807 1.619 ( 0.658 -0.537 0.000) 0.849 1.793 ( 1.816 0.051 0.000) 1.817 1.804 ( -6.337 0.380 0.000) 6.348 1.817 ( 1.719 0.241 0.000) 1.736 1.986 ( 2.431 -0.103 0.000) 2.434 2.138 ( -2.039 0.843 0.000) 2.206 2.780 ( -4.002 0.046 0.000) 4.003 2.827 ( 2.417 0.281 0.000) 2.433 2.973 ( -7.775 0.271 0.000) 7.780 3.038 ( 0.075 0.042 0.000) 0.086 3.267 ( -6.203 -0.017 0.000) 6.203 3.270 ( -10.279 -1.354 0.000) 10.368 3.358 ( -5.878 -0.723 0.000) 5.922 3.574 ( 1.784 -0.071 0.000) 1.786 3.632 ( 1.779 -0.145 0.000) 1.785 3.771 ( 1.724 0.287 0.000) 1.748 3.910 ( 0.625 -0.250 0.000) 0.673 3.916 ( -1.089 0.014 0.000) 1.089 3.986 ( 1.597 -0.044 0.000) 1.597 4.051 ( -10.449 -0.449 0.000) 10.458 4.173 ( 1.842 -1.117 0.000) 2.154 4.925 ( 2.661 0.074 0.000) 2.662 5.478 ( -1.190 -0.398 0.000) 1.254 5.575 ( 7.838 0.202 0.000) 7.840 5.667 ( 2.434 0.294 0.000) 2.452 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.175 ( 0.000 0.736 0.000) 0.736 0.591 ( 0.000 5.114 0.000) 5.114 0.691 ( -0.000 -1.379 0.000) 1.379 0.856 ( 0.000 8.609 0.000) 8.609 1.068 ( -0.000 -0.105 0.000) 0.105 1.069 ( -0.000 -1.915 0.000) 1.915 1.198 ( -0.000 -1.636 0.000) 1.636 1.218 ( 0.000 1.277 0.000) 1.277 1.333 ( -0.000 -3.438 0.000) 3.438 1.399 ( -0.000 -4.278 0.000) 4.278 1.574 ( -0.000 -0.861 0.000) 0.861 1.629 ( -0.000 -1.404 0.000) 1.404 1.736 ( 0.000 0.586 0.000) 0.586 1.812 ( -0.000 -0.044 0.000) 0.044 1.833 ( 0.000 0.792 0.000) 0.792 2.054 ( -0.000 -1.987 0.000) 1.987 2.119 ( 0.000 0.446 0.000) 0.446 2.737 ( 0.000 0.084 0.000) 0.084 2.821 ( 0.000 0.127 0.000) 0.127 2.910 ( 0.000 0.179 0.000) 0.179 3.034 ( 0.000 0.143 0.000) 0.143 3.036 ( 0.000 0.093 0.000) 0.093 3.205 ( -0.000 -0.025 0.000) 0.025 3.372 ( -0.000 -0.239 0.000) 0.239 3.595 ( -0.000 -0.214 0.000) 0.214 3.650 ( -0.000 -0.352 0.000) 0.352 3.789 ( 0.000 0.729 0.000) 0.729 3.887 ( 0.000 0.018 0.000) 0.018 3.919 ( -0.000 -0.538 0.000) 0.538 3.933 ( 0.000 0.042 0.000) 0.042 4.002 ( -0.000 -0.072 0.000) 0.072 4.211 ( -0.000 -1.560 0.000) 1.560 4.952 ( 0.000 0.229 0.000) 0.229 5.469 ( -0.000 -0.889 0.000) 0.889 5.657 ( 0.000 0.057 0.000) 0.057 5.689 ( 0.000 0.664 0.000) 0.664 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.178 ( 0.000 0.000 0.000) 0.000 0.617 ( 0.000 0.000 0.000) 0.000 0.683 ( 0.000 0.000 0.000) 0.000 0.900 ( 0.000 0.000 0.000) 0.000 1.060 ( 0.000 0.000 0.000) 0.000 1.068 ( 0.000 0.000 0.000) 0.000 1.190 ( 0.000 0.000 0.000) 0.000 1.226 ( 0.000 0.000 0.000) 0.000 1.314 ( -0.000 -0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.622 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.692 ( 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): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.194 ( 0.000 0.000 9.390) 9.390 0.349 ( 0.000 0.000 15.480) 15.480 0.552 ( 0.000 0.000 5.888) 5.888 0.741 ( 0.000 0.000 13.265) 13.265 0.922 ( 0.000 0.000 -10.131) 10.131 1.267 ( 0.000 0.000 -4.643) 4.643 1.287 ( 0.000 0.000 5.549) 5.549 1.344 ( 0.000 0.000 5.761) 5.761 1.473 ( 0.000 0.000 -2.572) 2.572 1.640 ( 0.000 0.000 0.384) 0.384 1.671 ( 0.000 0.000 -0.716) 0.716 1.694 ( 0.000 0.000 2.086) 2.086 1.715 ( 0.000 0.000 -4.692) 4.692 1.776 ( 0.000 0.000 -1.240) 1.240 1.811 ( 0.000 0.000 -0.370) 0.370 1.920 ( 0.000 0.000 -2.769) 2.769 2.066 ( 0.000 0.000 4.731) 4.731 2.669 ( 0.000 0.000 -18.635) 18.635 2.743 ( 0.000 0.000 1.018) 1.018 2.799 ( 0.000 0.000 -1.047) 1.047 3.029 ( 0.000 0.000 0.419) 0.419 3.034 ( 0.000 0.000 0.283) 0.283 3.237 ( 0.000 0.000 1.864) 1.864 3.352 ( 0.000 0.000 -2.651) 2.651 3.616 ( 0.000 0.000 1.670) 1.670 3.711 ( 0.000 0.000 -1.911) 1.911 3.892 ( 0.000 0.000 0.524) 0.524 3.923 ( 0.000 0.000 -0.585) 0.585 3.947 ( 0.000 0.000 1.825) 1.825 3.986 ( 0.000 0.000 1.174) 1.174 4.256 ( 0.000 0.000 4.706) 4.706 4.543 ( 0.000 0.000 -5.646) 5.646 5.002 ( 0.000 0.000 5.707) 5.707 5.358 ( 0.000 0.000 -8.690) 8.690 5.658 ( 0.000 0.000 4.380) 4.380 5.788 ( 0.000 0.000 -1.715) 1.715 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 13.118 -0.274 6.256) 14.536 0.468 ( 10.362 -2.717 9.555) 14.354 0.686 ( 9.927 -1.179 -2.632) 10.338 0.866 ( 13.463 -0.874 18.670) 23.035 0.941 ( 1.545 -0.408 -8.032) 8.189 1.255 ( 0.563 0.705 1.627) 1.861 1.352 ( 1.719 1.456 3.692) 4.325 1.394 ( 8.478 -0.083 -0.762) 8.513 1.476 ( 0.163 1.315 -2.556) 2.879 1.661 ( 0.942 1.282 -0.329) 1.624 1.673 ( 0.367 -1.032 -1.742) 2.058 1.683 ( -0.921 1.022 3.416) 3.682 1.723 ( -0.001 -0.167 -2.373) 2.379 1.798 ( 5.172 4.209 -0.750) 6.710 1.859 ( 3.733 -2.650 -0.378) 4.593 1.925 ( 0.252 -2.328 -2.126) 3.163 1.976 ( -2.820 -1.089 8.184) 8.724 2.616 ( -3.973 -0.312 -16.565) 17.038 2.788 ( 4.178 -0.053 1.228) 4.355 2.866 ( 5.676 -0.212 -3.097) 6.469 3.035 ( 0.037 -0.133 0.184) 0.230 3.168 ( 3.807 0.011 -9.323) 10.070 3.304 ( 6.278 -0.029 2.196) 6.651 3.430 ( 7.838 0.629 -4.419) 9.019 3.600 ( -1.579 -0.029 1.868) 2.446 3.703 ( -0.902 -0.221 -2.028) 2.231 3.843 ( -4.221 0.331 3.877) 5.741 3.895 ( -0.172 -0.093 -0.418) 0.461 3.959 ( -0.550 -0.076 -1.036) 1.175 3.968 ( -2.204 -0.018 0.394) 2.239 4.260 ( 1.349 0.641 6.278) 6.453 4.572 ( 2.002 4.220 -5.257) 7.032 4.981 ( -1.907 -0.081 5.415) 5.741 5.331 ( -3.141 -0.420 -8.408) 8.985 5.641 ( -1.552 -0.113 3.786) 4.093 5.696 ( -5.996 0.520 3.014) 6.731 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 15.461 2.898 4.903) 16.477 0.709 ( 12.133 -2.524 4.946) 13.344 0.890 ( 10.861 -0.526 -1.829) 11.027 0.972 ( 1.825 0.128 -3.836) 4.250 1.197 ( 16.891 -2.300 15.225) 22.856 1.274 ( 1.621 -0.058 1.361) 2.117 1.378 ( 0.841 0.012 -1.687) 1.885 1.467 ( 2.128 5.354 0.124) 5.763 1.568 ( 3.398 3.312 -3.155) 5.698 1.637 ( 0.491 -0.883 3.984) 4.110 1.679 ( 3.151 -1.344 -2.857) 4.461 1.710 ( 2.504 0.387 1.942) 3.193 1.720 ( -0.187 -2.676 -0.388) 2.711 1.880 ( 2.604 1.523 -1.878) 3.553 1.895 ( -0.261 -0.030 6.247) 6.253 1.994 ( 7.723 -1.170 1.192) 7.901 2.078 ( 9.709 -1.967 -0.837) 9.942 2.552 ( -2.601 -0.576 -15.797) 16.020 2.884 ( 5.066 -0.123 1.662) 5.333 2.988 ( 5.900 -0.467 -3.024) 6.646 3.039 ( 0.675 -0.384 0.147) 0.790 3.175 ( -1.032 -0.215 -5.793) 5.888 3.445 ( 7.522 0.177 1.549) 7.682 3.533 ( 1.626 0.376 -3.021) 3.451 3.561 ( -2.281 0.070 2.033) 3.056 3.673 ( -2.546 -0.162 -0.961) 2.726 3.804 ( 0.639 0.979 -0.275) 1.201 3.841 ( -6.043 -0.322 -0.774) 6.100 3.932 ( -0.298 0.013 0.506) 0.587 3.947 ( -0.219 -0.106 -0.338) 0.416 4.311 ( 3.920 0.575 6.649) 7.740 4.554 ( -1.610 3.513 -1.115) 4.023 4.936 ( -2.620 0.367 3.376) 4.289 5.236 ( -7.046 -0.690 -7.023) 9.972 5.596 ( -4.060 0.361 3.254) 5.215 5.615 ( -1.210 0.090 1.925) 2.275 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 11.956 2.843 3.816) 12.868 0.925 ( 9.884 1.876 2.389) 10.340 1.016 ( 2.967 -0.594 -0.946) 3.170 1.098 ( 10.423 0.748 1.458) 10.551 1.317 ( 2.533 -0.671 1.417) 2.979 1.382 ( 0.848 -1.912 -2.012) 2.903 1.447 ( 5.902 -3.544 6.826) 9.695 1.484 ( 1.443 6.832 2.553) 7.435 1.534 ( -0.694 5.262 -0.931) 5.389 1.605 ( -3.171 -1.719 0.899) 3.718 1.721 ( -0.948 -2.477 1.835) 3.226 1.815 ( 11.238 -3.129 2.885) 12.017 1.862 ( 1.346 0.615 1.940) 2.440 1.904 ( 2.311 -1.215 1.562) 3.043 1.934 ( 9.033 0.094 -0.553) 9.050 2.168 ( 8.478 -1.300 1.008) 8.636 2.262 ( 7.422 -0.464 -1.988) 7.698 2.523 ( -0.845 -0.320 -15.562) 15.588 2.958 ( 2.046 0.048 2.074) 2.913 3.048 ( 1.930 -0.238 1.844) 2.680 3.092 ( 2.260 -0.270 -3.403) 4.094 3.172 ( 1.314 -0.321 -3.364) 3.625 3.505 ( -1.844 0.103 0.261) 1.865 3.508 ( -2.709 -0.031 -0.053) 2.709 3.572 ( 3.594 0.231 0.630) 3.656 3.620 ( -2.551 0.131 -0.698) 2.648 3.717 ( -4.464 0.048 1.403) 4.679 3.835 ( 1.405 0.533 -3.801) 4.087 3.937 ( 0.502 0.068 1.889) 1.956 3.960 ( 1.219 0.249 0.931) 1.554 4.388 ( 4.012 0.567 4.946) 6.394 4.491 ( -3.182 1.793 3.016) 4.737 4.881 ( -2.703 0.977 0.250) 2.885 5.078 ( -9.305 -0.724 -5.269) 10.717 5.527 ( -2.988 -0.039 3.004) 4.237 5.602 ( -0.082 0.676 0.098) 0.688 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 1.758 0.996 0.856) 2.194 1.053 ( 0.646 0.732 -0.756) 1.235 1.118 ( 7.818 3.333 3.139) 9.060 1.266 ( 7.199 1.854 2.956) 8.000 1.377 ( 3.644 -0.871 1.964) 4.230 1.425 ( -0.408 0.567 -0.044) 0.700 1.448 ( 0.114 1.050 4.509) 4.631 1.501 ( 5.555 2.520 1.349) 6.247 1.547 ( -2.929 -2.115 1.843) 4.056 1.608 ( 4.302 -0.679 -0.160) 4.359 1.713 ( 0.837 -1.405 2.957) 3.379 1.839 ( -2.084 0.185 1.881) 2.813 1.886 ( -2.777 -1.537 -0.806) 3.275 2.097 ( 13.172 -2.087 2.428) 13.556 2.137 ( 8.464 0.606 1.290) 8.583 2.304 ( 4.088 -1.539 -0.773) 4.436 2.345 ( 1.517 -1.051 -1.647) 2.473 2.515 ( -0.069 0.226 -16.055) 16.057 2.952 ( -2.296 0.361 2.099) 3.132 3.074 ( -3.299 0.145 -2.307) 4.028 3.111 ( 4.532 0.035 2.928) 5.395 3.240 ( 5.374 -0.146 -2.428) 5.899 3.467 ( -1.064 -0.088 0.456) 1.161 3.495 ( 1.116 0.191 -1.024) 1.526 3.576 ( -1.971 0.489 -1.119) 2.318 3.578 ( -1.399 0.185 -1.388) 1.979 3.706 ( 1.745 -0.004 3.596) 3.997 3.851 ( 0.682 0.160 -2.199) 2.308 3.943 ( -0.101 0.106 2.546) 2.550 3.969 ( -0.439 0.267 1.024) 1.146 4.425 ( -2.723 0.642 5.659) 6.313 4.456 ( 3.262 0.474 3.445) 4.767 4.826 ( -2.330 1.160 -2.527) 3.628 4.902 ( -8.925 -0.642 -4.030) 9.813 5.481 ( -1.891 -0.107 3.305) 3.809 5.600 ( 0.234 0.745 -1.185) 1.419 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -2.663 -0.786 1.025) 2.960 1.039 ( -0.502 0.399 -1.770) 1.883 1.177 ( 0.583 3.213 4.501) 5.560 1.349 ( 2.629 0.359 1.039) 2.849 1.427 ( 2.465 2.075 2.716) 4.214 1.436 ( 3.181 2.179 -0.791) 3.936 1.503 ( 2.655 -0.208 10.549) 10.880 1.516 ( 0.185 -1.455 2.184) 2.631 1.580 ( -1.375 0.743 1.989) 2.529 1.660 ( 4.706 -2.835 -0.874) 5.563 1.790 ( -0.181 -0.446 -0.702) 0.852 1.799 ( -0.186 0.621 0.399) 0.761 1.839 ( 0.970 -1.555 -1.569) 2.413 2.227 ( 1.037 -0.268 1.294) 1.680 2.253 ( -0.022 1.701 1.093) 2.022 2.338 ( 3.907 -1.077 0.384) 4.071 2.401 ( 2.077 -2.309 -1.438) 3.423 2.519 ( 0.506 0.059 -16.921) 16.929 2.894 ( -2.697 0.316 1.938) 3.336 3.010 ( -2.487 -0.233 -2.258) 3.367 3.211 ( 5.107 0.363 3.576) 6.246 3.356 ( 6.034 0.416 -2.504) 6.546 3.463 ( 0.277 -0.072 0.755) 0.807 3.521 ( 0.965 0.577 -1.516) 1.887 3.534 ( -2.309 0.229 -0.902) 2.489 3.562 ( -0.178 -0.305 -1.963) 1.995 3.736 ( 1.184 -0.003 3.897) 4.073 3.867 ( 1.229 0.068 -0.662) 1.397 3.931 ( -0.927 0.058 2.442) 2.612 3.943 ( -1.976 0.020 1.074) 2.249 4.380 ( -1.734 0.159 6.878) 7.095 4.514 ( 3.095 0.368 2.664) 4.100 4.746 ( -6.557 -0.361 -3.150) 7.283 4.790 ( -1.570 0.656 -4.385) 4.703 5.454 ( -0.903 -0.063 3.621) 3.732 5.601 ( 0.158 0.468 -1.920) 1.983 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.000 -0.000 1.668) 1.668 1.031 ( 0.000 -0.000 -2.067) 2.067 1.168 ( 0.000 -0.000 4.519) 4.519 1.376 ( -0.000 -0.000 -2.225) 2.225 1.453 ( -0.000 -0.000 4.317) 4.317 1.474 ( 0.000 -0.000 1.860) 1.860 1.508 ( -0.000 -0.000 9.596) 9.596 1.526 ( 0.000 0.000 1.401) 1.401 1.570 ( 0.000 -0.000 4.550) 4.550 1.710 ( 0.000 -0.000 0.019) 0.019 1.756 ( 0.000 -0.000 -5.565) 5.565 1.810 ( 0.000 -0.000 1.450) 1.450 1.890 ( 0.000 -0.000 -1.321) 1.321 2.201 ( 0.000 -0.000 1.030) 1.030 2.249 ( 0.000 -0.000 0.946) 0.946 2.382 ( -0.000 -0.000 0.329) 0.329 2.431 ( 0.000 -0.000 -1.231) 1.231 2.526 ( 0.000 -0.000 -17.015) 17.015 2.866 ( 0.000 -0.000 1.991) 1.991 2.988 ( 0.000 -0.000 -2.449) 2.449 3.267 ( 0.000 -0.000 3.719) 3.719 3.432 ( 0.000 -0.000 -3.389) 3.389 3.481 ( -0.000 -0.000 0.170) 0.170 3.482 ( 0.000 0.000 0.691) 0.691 3.527 ( 0.000 -0.000 -1.057) 1.057 3.563 ( 0.000 -0.000 -2.858) 2.858 3.749 ( 0.000 -0.000 4.224) 4.224 3.900 ( -0.000 -0.000 -1.949) 1.949 3.900 ( 0.000 0.000 2.921) 2.921 3.920 ( 0.000 -0.000 2.145) 2.145 4.361 ( 0.000 -0.000 7.280) 7.280 4.557 ( 0.000 -0.000 3.212) 3.212 4.668 ( 0.000 -0.000 -3.726) 3.726 4.774 ( 0.000 -0.000 -4.877) 4.877 5.446 ( 0.000 -0.000 3.733) 3.733 5.602 ( 0.000 -0.000 -2.164) 2.164 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 16.164 0.000 4.336) 16.735 0.692 ( 12.486 0.000 5.266) 13.551 0.887 ( 11.164 0.000 -1.914) 11.327 0.973 ( 1.848 0.000 -4.472) 4.839 1.184 ( 16.930 0.000 15.748) 23.122 1.275 ( 1.324 0.000 1.333) 1.879 1.377 ( 0.232 0.000 -1.769) 1.784 1.498 ( 3.428 0.000 0.380) 3.449 1.589 ( 6.375 0.000 -2.814) 6.969 1.628 ( -3.505 -0.000 3.578) 5.009 1.668 ( 2.194 0.000 -2.333) 3.203 1.706 ( 0.434 0.000 -1.248) 1.321 1.714 ( 2.356 0.000 2.362) 3.336 1.888 ( 1.689 0.000 -1.813) 2.477 1.895 ( -0.207 -0.000 6.049) 6.053 1.988 ( 7.995 0.000 1.131) 8.075 2.067 ( 10.604 0.000 -0.656) 10.624 2.549 ( -2.542 -0.000 -15.902) 16.104 2.883 ( 5.082 0.000 1.636) 5.339 2.986 ( 5.983 0.000 -3.057) 6.718 3.037 ( 0.649 0.000 0.115) 0.660 3.174 ( -1.044 -0.000 -5.868) 5.960 3.446 ( 7.519 0.000 1.593) 7.686 3.535 ( 1.411 0.000 -2.996) 3.311 3.561 ( -2.248 -0.000 2.046) 3.039 3.672 ( -2.485 -0.000 -0.932) 2.654 3.810 ( 0.919 0.000 -0.618) 1.108 3.839 ( -6.276 -0.000 -0.648) 6.309 3.932 ( -0.327 -0.000 0.410) 0.525 3.947 ( -0.138 -0.000 -0.375) 0.399 4.314 ( 3.849 0.000 6.690) 7.718 4.572 ( -2.485 -0.000 -1.646) 2.980 4.938 ( -2.477 -0.000 3.016) 3.903 5.232 ( -7.006 -0.000 -6.851) 9.799 5.598 ( -4.345 -0.000 3.277) 5.442 5.615 ( -0.916 -0.000 2.047) 2.243 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 9.300 0.145 2.471) 9.624 0.952 ( 14.382 2.099 3.563) 14.965 1.012 ( 2.169 -0.251 -1.440) 2.615 1.101 ( 10.602 -0.052 2.349) 10.859 1.314 ( 2.901 0.018 0.261) 2.912 1.363 ( -0.698 -1.349 -3.549) 3.860 1.422 ( 6.554 -1.294 9.449) 11.572 1.539 ( -0.819 3.791 2.861) 4.820 1.580 ( -2.684 -0.283 -0.407) 2.730 1.603 ( -0.719 5.272 0.331) 5.331 1.675 ( 1.536 -6.171 1.138) 6.461 1.799 ( 10.297 -0.484 3.671) 10.942 1.870 ( 2.002 0.778 -0.456) 2.195 1.890 ( 0.088 -1.199 3.896) 4.078 1.935 ( 9.774 0.056 -0.639) 9.796 2.159 ( 8.430 -0.442 1.104) 8.513 2.259 ( 7.679 -0.182 -1.937) 7.921 2.521 ( -0.613 -0.113 -15.697) 15.710 2.958 ( 2.158 0.016 2.069) 2.989 3.046 ( 2.019 -0.089 1.781) 2.694 3.090 ( 2.497 -0.088 -3.380) 4.203 3.170 ( 1.338 -0.120 -3.404) 3.659 3.506 ( -1.801 0.051 0.297) 1.826 3.508 ( -2.818 -0.018 -0.022) 2.818 3.574 ( 3.569 0.085 0.705) 3.639 3.621 ( -2.421 0.045 -0.668) 2.512 3.717 ( -4.488 0.020 1.363) 4.691 3.838 ( 1.197 0.180 -3.853) 4.038 3.938 ( 0.539 0.024 1.844) 1.922 3.962 ( 1.305 0.091 0.821) 1.544 4.392 ( 3.950 0.208 5.024) 6.394 4.503 ( -3.931 0.639 2.925) 4.941 4.888 ( -2.610 0.400 -0.368) 2.666 5.072 ( -9.236 -0.289 -5.122) 10.565 5.527 ( -3.042 0.000 3.256) 4.456 5.606 ( -0.049 0.240 0.107) 0.267 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 1.199 1.027 0.677) 1.718 1.049 ( 0.463 -0.845 -0.944) 1.349 1.158 ( 7.843 3.985 3.436) 9.444 1.276 ( 6.988 0.107 5.431) 8.851 1.371 ( 3.744 0.040 -0.927) 3.858 1.413 ( 3.222 -2.293 -0.322) 3.967 1.449 ( -0.086 0.035 5.663) 5.663 1.527 ( -2.390 -1.165 1.444) 3.026 1.550 ( 1.699 4.993 1.361) 5.447 1.610 ( 4.191 0.732 -0.190) 4.258 1.693 ( 0.943 -2.366 3.442) 4.282 1.838 ( -2.936 -0.240 0.474) 2.984 1.869 ( -2.537 -1.454 1.812) 3.441 2.081 ( 14.525 -1.171 2.854) 14.849 2.141 ( 8.404 0.317 1.013) 8.471 2.292 ( 4.826 -0.803 -1.114) 5.018 2.336 ( 0.518 -0.583 -1.858) 2.015 2.517 ( 0.009 0.136 -16.033) 16.033 2.955 ( -2.235 0.209 2.180) 3.129 3.075 ( -3.453 0.048 -2.194) 4.091 3.111 ( 4.783 0.043 3.031) 5.662 3.239 ( 5.563 -0.090 -2.316) 6.027 3.466 ( -1.066 -0.048 0.504) 1.180 3.497 ( 1.263 0.135 -1.120) 1.694 3.580 ( -1.763 0.203 -1.195) 2.139 3.580 ( -1.697 0.154 -1.274) 2.128 3.706 ( 1.734 0.002 3.619) 4.013 3.852 ( 0.581 0.089 -2.169) 2.247 3.943 ( -0.118 0.064 2.580) 2.583 3.971 ( -0.552 0.152 0.953) 1.112 4.430 ( -3.126 0.360 5.738) 6.544 4.460 ( 3.230 0.264 3.529) 4.791 4.836 ( -2.398 0.776 -3.082) 3.982 4.896 ( -8.889 -0.465 -3.907) 9.721 5.480 ( -1.876 -0.040 3.634) 4.090 5.606 ( 0.132 0.415 -1.164) 1.243 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -2.744 -0.289 0.977) 2.927 1.041 ( -0.889 0.050 -1.975) 2.166 1.208 ( -0.194 2.724 4.569) 5.323 1.351 ( 1.847 0.059 1.910) 2.658 1.440 ( 2.388 1.100 2.103) 3.367 1.460 ( 3.750 2.056 1.519) 4.538 1.498 ( 0.565 -0.945 7.655) 7.734 1.505 ( 2.264 -0.500 2.995) 3.788 1.591 ( -2.253 1.075 1.301) 2.815 1.639 ( 4.560 -1.210 -0.324) 4.729 1.782 ( -0.429 -1.026 -0.199) 1.130 1.802 ( 1.903 -0.077 0.944) 2.126 1.822 ( 0.486 -1.491 -0.980) 1.849 2.226 ( 0.916 0.076 0.875) 1.269 2.270 ( -0.483 1.654 0.356) 1.760 2.329 ( 5.673 -0.804 0.589) 5.760 2.378 ( 2.110 -2.122 -1.047) 3.170 2.520 ( 0.374 0.018 -16.960) 16.964 2.897 ( -2.828 0.236 2.000) 3.472 3.008 ( -2.547 -0.172 -1.997) 3.241 3.214 ( 5.094 0.266 3.686) 6.294 3.359 ( 6.235 0.292 -2.371) 6.677 3.462 ( 0.300 -0.047 0.787) 0.843 3.526 ( 0.933 0.403 -1.624) 1.916 3.537 ( -2.620 0.169 -1.035) 2.822 3.559 ( -0.307 -0.224 -1.980) 2.016 3.736 ( 1.198 0.003 3.945) 4.123 3.868 ( 1.230 0.050 -0.635) 1.386 3.931 ( -0.946 0.049 2.501) 2.675 3.943 ( -2.070 0.009 1.118) 2.353 4.381 ( -1.853 0.109 6.935) 7.179 4.518 ( 3.011 0.264 2.778) 4.106 4.743 ( -6.623 -0.241 -3.177) 7.349 4.796 ( -1.692 0.466 -4.644) 4.964 5.454 ( -0.876 -0.035 3.859) 3.958 5.605 ( -0.039 0.335 -1.890) 1.920 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.807 0.336 1.411) 1.660 1.027 ( -0.444 -0.832 -2.105) 2.307 1.174 ( -1.565 1.136 4.866) 5.236 1.376 ( 0.461 0.022 -1.684) 1.746 1.448 ( -1.691 -0.771 5.028) 5.361 1.476 ( -2.510 0.311 0.817) 2.658 1.503 ( -0.163 -0.343 7.062) 7.072 1.538 ( 2.142 1.672 2.321) 3.574 1.568 ( -0.334 -0.271 5.829) 5.844 1.698 ( 2.305 -2.187 -0.135) 3.180 1.758 ( -1.123 0.293 -5.319) 5.444 1.814 ( 0.602 0.813 1.449) 1.767 1.887 ( 0.260 -0.576 -1.129) 1.294 2.206 ( 0.108 1.086 0.592) 1.242 2.249 ( -0.328 0.006 0.829) 0.891 2.377 ( -0.564 -1.001 0.440) 1.230 2.433 ( 1.793 0.418 -1.045) 2.117 2.526 ( 0.030 -0.015 -16.977) 16.977 2.865 ( -0.165 -0.013 1.988) 1.994 2.989 ( 0.252 0.031 -2.463) 2.476 3.266 ( -0.312 -0.026 3.711) 3.724 3.431 ( -0.799 -0.059 -3.395) 3.488 3.480 ( -2.255 -0.067 0.424) 2.296 3.483 ( 2.669 0.229 0.442) 2.715 3.525 ( -0.437 -0.231 -1.064) 1.174 3.564 ( 0.338 0.124 -2.847) 2.870 3.749 ( -0.006 0.011 4.222) 4.222 3.900 ( -2.173 -0.051 0.579) 2.249 3.901 ( 2.137 0.072 0.370) 2.170 3.920 ( -0.021 -0.026 2.169) 2.169 4.361 ( -0.060 -0.005 7.278) 7.279 4.557 ( -0.351 -0.030 3.202) 3.222 4.668 ( 0.389 0.036 -3.717) 3.738 4.774 ( -0.391 0.002 -4.874) 4.890 5.446 ( 0.031 0.000 3.733) 3.733 5.602 ( -0.248 -0.000 -2.164) 2.178 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 2.282 1.118 0.953) 2.714 1.034 ( 0.701 -0.564 -1.145) 1.457 1.147 ( -1.764 -2.703 4.370) 5.433 1.345 ( -4.360 -0.299 0.816) 4.446 1.393 ( -2.587 -3.923 -0.736) 4.756 1.422 ( -2.846 -1.122 1.071) 3.241 1.505 ( -3.310 0.247 10.971) 11.462 1.530 ( 0.250 1.253 2.415) 2.732 1.581 ( 1.831 0.863 2.322) 3.081 1.693 ( -3.627 3.578 -1.365) 5.275 1.788 ( -1.241 -1.170 -0.059) 1.707 1.794 ( 1.858 -0.138 -0.638) 1.969 1.849 ( -0.983 0.274 -1.950) 2.201 2.230 ( -2.390 -0.065 1.771) 2.976 2.239 ( 0.686 -0.564 1.036) 1.365 2.349 ( -2.075 0.957 0.293) 2.304 2.423 ( -1.905 2.035 -1.568) 3.198 2.518 ( -0.664 -0.101 -16.833) 16.847 2.891 ( 2.556 -0.310 1.873) 3.184 3.012 ( 2.379 0.232 -2.558) 3.501 3.207 ( -5.100 -0.363 3.447) 6.167 3.351 ( -5.821 -0.438 -2.669) 6.419 3.464 ( -0.254 0.083 0.720) 0.768 3.515 ( -0.919 -0.608 -1.366) 1.755 3.532 ( 1.899 -0.228 -0.741) 2.051 3.565 ( 0.002 0.301 -1.974) 1.997 3.736 ( -1.170 0.011 3.840) 4.015 3.866 ( -1.229 -0.069 -0.691) 1.412 3.930 ( 0.897 -0.047 2.379) 2.543 3.942 ( 1.882 -0.028 1.020) 2.140 4.378 ( 1.590 -0.172 6.809) 6.994 4.511 ( -3.189 -0.377 2.534) 4.091 4.750 ( 6.479 0.425 -3.133) 7.209 4.783 ( 1.427 -0.705 -4.068) 4.368 5.455 ( 0.952 0.082 3.342) 3.476 5.597 ( -0.399 -0.482 -1.950) 2.048 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -2.113 -0.601 1.175) 2.491 1.026 ( -5.455 -4.240 2.102) 7.222 1.105 ( -3.214 0.364 0.299) 3.248 1.243 ( -7.327 -2.492 0.911) 7.793 1.377 ( -0.913 -2.159 -0.031) 2.344 1.403 ( -4.006 -2.043 6.358) 7.788 1.425 ( 1.318 -2.237 1.359) 2.931 1.510 ( -6.079 2.863 1.639) 6.917 1.567 ( 3.053 1.890 1.445) 3.870 1.627 ( -4.318 3.063 -0.366) 5.307 1.721 ( -0.647 0.248 2.600) 2.691 1.836 ( 1.882 -0.369 2.628) 3.253 1.895 ( 2.310 0.187 -2.368) 3.314 2.119 ( -11.194 1.756 1.660) 11.452 2.131 ( -8.538 -0.131 1.686) 8.704 2.322 ( -3.268 1.944 -0.417) 3.825 2.356 ( -2.903 1.289 -1.386) 3.465 2.513 ( 0.214 -0.244 -16.092) 16.095 2.948 ( 2.371 -0.417 1.988) 3.122 3.072 ( 3.031 -0.260 -2.413) 3.882 3.111 ( -4.132 0.015 2.752) 4.965 3.242 ( -5.097 0.153 -2.570) 5.711 3.468 ( 1.065 0.118 0.398) 1.143 3.494 ( -0.897 -0.147 -0.947) 1.312 3.570 ( 2.004 -0.662 -1.071) 2.367 3.576 ( 1.229 -0.217 -1.458) 1.919 3.706 ( -1.757 0.015 3.566) 3.975 3.849 ( -0.837 -0.196 -2.235) 2.395 3.941 ( 0.077 -0.113 2.501) 2.504 3.966 ( 0.281 -0.317 1.126) 1.203 4.418 ( 2.193 -0.771 5.561) 6.027 4.451 ( -3.348 -0.571 3.318) 4.749 4.814 ( 2.182 -1.177 -1.859) 3.099 4.909 ( 9.051 0.613 -4.114) 9.961 5.482 ( 1.940 0.196 2.842) 3.447 5.592 ( -0.395 -0.914 -1.198) 1.558 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -12.940 -5.009 4.453) 14.572 0.921 ( -6.113 0.399 2.121) 6.482 1.022 ( -4.394 0.508 -0.593) 4.463 1.086 ( -9.772 -1.585 0.360) 9.907 1.326 ( -2.303 0.750 3.676) 4.402 1.380 ( -4.485 -3.993 1.083) 6.102 1.425 ( -0.894 -3.210 -0.461) 3.364 1.488 ( -1.305 2.425 2.297) 3.586 1.497 ( -2.749 -0.002 1.025) 2.934 1.622 ( 3.138 1.739 0.611) 3.639 1.729 ( -0.460 -0.374 2.916) 2.976 1.852 ( -7.921 3.252 2.108) 8.818 1.858 ( -2.028 -0.038 2.364) 3.115 1.911 ( -6.346 0.268 1.257) 6.475 1.936 ( -7.049 0.696 -0.739) 7.122 2.185 ( -8.582 1.915 0.812) 8.830 2.267 ( -6.994 0.542 -2.037) 7.304 2.527 ( 1.234 0.460 -15.323) 15.379 2.957 ( -1.855 -0.077 2.080) 2.788 3.051 ( -1.757 0.315 1.937) 2.634 3.095 ( -1.803 0.439 -3.454) 3.921 3.176 ( -1.293 0.424 -3.298) 3.568 3.504 ( 1.816 -0.089 0.197) 1.829 3.508 ( 2.598 0.030 -0.112) 2.601 3.569 ( -3.634 -0.316 0.500) 3.682 3.619 ( 2.805 -0.203 -0.748) 2.910 3.716 ( 4.429 -0.046 1.467) 4.666 3.828 ( -1.823 -0.841 -3.670) 4.183 3.937 ( -0.452 -0.102 1.970) 2.023 3.957 ( -1.061 -0.340 1.122) 1.581 4.381 ( -4.116 -0.770 4.812) 6.379 4.469 ( 1.882 -2.545 3.216) 4.512 4.870 ( 2.907 -1.113 1.178) 3.329 5.086 ( 9.415 0.874 -5.458) 10.918 5.528 ( 2.905 0.167 2.558) 3.874 5.593 ( 0.145 -0.996 0.105) 1.012 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -13.702 -1.900 5.316) 14.819 0.737 ( -10.956 2.981 4.647) 12.268 0.894 ( -10.020 0.198 -1.454) 10.127 0.969 ( -1.795 -0.474 -2.032) 2.753 1.220 ( -15.767 1.594 13.401) 20.754 1.278 ( -2.498 0.684 1.739) 3.120 1.372 ( -2.938 -1.355 -1.061) 3.405 1.412 ( -0.698 -4.359 -0.469) 4.439 1.536 ( -1.759 -2.886 -4.386) 5.537 1.639 ( -3.511 -0.555 4.969) 6.110 1.687 ( -3.361 0.340 -3.058) 4.557 1.705 ( -1.678 -0.439 2.397) 2.959 1.755 ( -1.353 3.564 -0.639) 3.865 1.861 ( -4.432 -2.090 -2.224) 5.381 1.896 ( 0.584 0.075 6.826) 6.852 2.010 ( -7.197 1.928 1.392) 7.580 2.103 ( -7.968 2.799 -1.237) 8.535 2.560 ( 2.758 0.996 -15.503) 15.778 2.885 ( -5.021 0.204 1.732) 5.315 2.995 ( -5.659 0.882 -2.943) 6.439 3.045 ( -0.761 0.702 0.206) 1.055 3.178 ( 0.997 0.335 -5.578) 5.677 3.443 ( -7.533 -0.299 1.429) 7.673 3.527 ( -2.260 -0.724 -3.081) 3.889 3.560 ( 2.367 -0.122 2.003) 3.103 3.675 ( 2.720 0.302 -1.040) 2.927 3.792 ( -0.460 -1.490 0.463) 1.626 3.844 ( 6.008 0.263 -0.884) 6.078 3.932 ( 0.250 -0.035 0.756) 0.797 3.949 ( 0.403 0.162 -0.230) 0.492 4.304 ( -4.104 -0.970 6.534) 7.776 4.506 ( -0.514 -5.871 0.306) 5.901 4.932 ( 3.011 -0.392 4.118) 5.116 5.244 ( 7.087 0.998 -7.375) 10.277 5.591 ( 3.459 -0.552 3.208) 4.750 5.613 ( 1.882 -0.121 1.603) 2.475 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -9.157 3.486 6.826) 11.942 0.511 ( -9.392 5.337 8.393) 13.680 0.706 ( -9.028 2.587 -3.366) 9.976 0.882 ( -13.158 2.126 17.182) 21.746 0.950 ( -1.934 1.385 -5.602) 6.086 1.243 ( -1.523 -1.498 1.369) 2.537 1.328 ( -3.080 -3.052 2.179) 4.853 1.389 ( -5.898 -1.443 2.261) 6.480 1.454 ( -0.443 -2.749 -2.829) 3.969 1.640 ( 0.219 -3.109 0.510) 3.158 1.667 ( -0.876 -1.722 0.787) 2.086 1.684 ( -0.793 0.483 -1.856) 2.075 1.726 ( -1.536 0.431 -2.101) 2.638 1.758 ( -5.325 -2.899 -0.789) 6.114 1.876 ( -2.131 0.705 2.099) 3.073 1.962 ( 1.397 4.313 -1.778) 4.870 1.998 ( 1.316 3.265 6.196) 7.126 2.622 ( 3.878 0.845 -16.301) 16.777 2.789 ( -4.214 0.144 1.241) 4.395 2.870 ( -5.835 0.581 -3.070) 6.619 3.037 ( -0.142 0.371 0.280) 0.486 3.167 ( -4.151 -0.049 -8.885) 9.807 3.304 ( -6.017 0.056 2.023) 6.348 3.418 ( -7.881 -1.725 -3.877) 8.951 3.600 ( 1.634 0.071 1.913) 2.517 3.707 ( 1.042 0.608 -2.109) 2.430 3.836 ( 4.296 -0.923 4.489) 6.282 3.897 ( 0.102 0.210 -0.389) 0.453 3.960 ( 0.576 0.191 -0.887) 1.075 3.968 ( 2.119 0.039 0.574) 2.196 4.248 ( -2.090 -1.766 6.582) 7.129 4.499 ( -4.089 -9.553 -1.060) 10.446 4.983 ( 2.111 0.286 5.614) 6.005 5.337 ( 3.078 0.766 -8.807) 9.361 5.643 ( 1.899 0.286 3.456) 3.954 5.688 ( 5.180 -1.018 2.872) 6.010 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( 0.000 9.894 6.601) 11.894 0.377 ( 0.000 5.324 14.198) 15.164 0.565 ( 0.000 2.523 4.722) 5.354 0.748 ( 0.000 1.315 14.420) 14.480 0.927 ( 0.000 0.967 -9.849) 9.896 1.246 ( -0.000 -3.668 -3.511) 5.078 1.284 ( -0.000 -0.626 5.358) 5.394 1.346 ( -0.000 -0.037 5.667) 5.667 1.463 ( -0.000 -1.912 -2.466) 3.120 1.636 ( -0.000 -0.710 0.476) 0.854 1.675 ( 0.000 0.713 -0.889) 1.139 1.682 ( -0.000 -4.402 -0.291) 4.411 1.701 ( -0.000 -2.595 -0.915) 2.752 1.732 ( -0.000 -2.125 -3.298) 3.923 1.850 ( 0.000 3.071 0.175) 3.076 1.941 ( 0.000 4.169 -1.428) 4.407 2.075 ( 0.000 1.600 2.683) 3.124 2.670 ( 0.000 0.384 -18.381) 18.385 2.744 ( 0.000 0.072 1.014) 1.017 2.800 ( 0.000 0.108 -1.057) 1.063 3.030 ( 0.000 0.129 0.413) 0.433 3.034 ( 0.000 0.095 0.284) 0.299 3.239 ( 0.000 0.327 1.829) 1.858 3.348 ( -0.000 -0.662 -2.573) 2.657 3.616 ( 0.000 0.114 1.698) 1.702 3.714 ( 0.000 0.586 -1.965) 2.050 3.892 ( 0.000 0.031 0.529) 0.530 3.923 ( 0.000 0.048 -0.583) 0.585 3.945 ( -0.000 -0.511 2.307) 2.363 3.986 ( -0.000 -0.009 1.340) 1.340 4.240 ( -0.000 -3.074 5.854) 6.612 4.487 ( -0.000 -9.794 -0.764) 9.823 5.003 ( 0.000 0.343 5.744) 5.754 5.362 ( 0.000 0.612 -9.018) 9.038 5.661 ( 0.000 0.525 3.994) 4.028 5.772 ( -0.000 -2.754 -0.347) 2.776 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.723 0.000 0.603) 0.941 1.044 ( 1.095 0.000 -0.724) 1.312 1.182 ( 7.216 0.000 3.262) 7.919 1.273 ( 6.876 0.000 6.293) 9.321 1.376 ( 3.105 0.000 -2.220) 3.817 1.395 ( 5.229 0.000 -0.393) 5.243 1.450 ( -0.217 -0.000 6.700) 6.703 1.521 ( -2.533 -0.000 1.485) 2.936 1.581 ( 0.336 0.000 0.029) 0.337 1.614 ( 4.645 0.000 0.038) 4.645 1.677 ( 1.148 0.000 4.003) 4.164 1.836 ( -3.844 -0.000 -0.479) 3.873 1.862 ( -1.894 -0.000 3.423) 3.912 2.075 ( 14.980 0.000 2.988) 15.275 2.143 ( 8.371 0.000 0.908) 8.420 2.288 ( 5.129 0.000 -1.254) 5.280 2.333 ( 0.150 0.000 -1.941) 1.947 2.518 ( 0.034 0.000 -16.026) 16.026 2.956 ( -2.211 -0.000 2.209) 3.125 3.076 ( -3.496 -0.000 -2.143) 4.101 3.112 ( 4.862 0.000 3.061) 5.745 3.238 ( 5.630 0.000 -2.273) 6.072 3.466 ( -1.067 -0.000 0.522) 1.188 3.498 ( 1.314 0.000 -1.163) 1.755 3.580 ( -1.552 -0.000 -1.321) 2.038 3.581 ( -1.939 -0.000 -1.130) 2.244 3.706 ( 1.729 0.000 3.628) 4.019 3.853 ( 0.546 0.000 -2.157) 2.225 3.944 ( -0.124 -0.000 2.593) 2.596 3.972 ( -0.592 -0.000 0.928) 1.101 4.432 ( -3.278 -0.000 5.769) 6.635 4.461 ( 3.227 0.000 3.558) 4.803 4.840 ( -2.385 -0.000 -3.315) 4.084 4.894 ( -8.917 -0.000 -3.833) 9.706 5.480 ( -1.874 -0.000 3.753) 4.195 5.608 ( 0.097 0.000 -1.154) 1.158 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -2.715 -0.044 0.919) 2.866 1.041 ( -1.314 -0.031 -1.934) 2.338 1.227 ( -0.602 1.076 4.562) 4.726 1.350 ( 1.768 -0.084 2.523) 3.082 1.449 ( 3.004 0.682 0.507) 3.122 1.475 ( 2.580 1.089 3.430) 4.428 1.487 ( 1.328 -0.962 9.105) 9.251 1.503 ( 3.185 -0.083 0.813) 3.288 1.597 ( -2.566 0.122 0.102) 2.571 1.635 ( 1.901 0.083 0.420) 1.949 1.774 ( 0.167 -0.414 0.469) 0.648 1.797 ( 6.128 -0.678 1.297) 6.300 1.814 ( -2.327 -0.227 -0.564) 2.405 2.227 ( 1.004 0.088 0.645) 1.196 2.283 ( -1.373 0.786 -0.685) 1.724 2.323 ( 7.425 -0.230 0.844) 7.477 2.362 ( 1.889 -1.036 -0.480) 2.207 2.520 ( 0.297 0.002 -16.966) 16.969 2.899 ( -2.907 0.088 2.039) 3.552 3.007 ( -2.569 -0.064 -1.846) 3.163 3.216 ( 5.079 0.097 3.749) 6.313 3.361 ( 6.359 0.104 -2.297) 6.762 3.462 ( 0.315 -0.016 0.806) 0.865 3.529 ( 0.864 0.143 -1.674) 1.890 3.538 ( -2.773 0.062 -1.104) 2.985 3.558 ( -0.361 -0.082 -2.007) 2.041 3.736 ( 1.207 0.002 3.973) 4.152 3.868 ( 1.232 0.018 -0.619) 1.379 3.932 ( -0.954 0.019 2.538) 2.712 3.943 ( -2.130 0.002 1.141) 2.417 4.382 ( -1.920 0.038 6.966) 7.226 4.519 ( 2.962 0.095 2.845) 4.108 4.741 ( -6.654 -0.084 -3.195) 7.382 4.799 ( -1.768 0.169 -4.789) 5.108 5.454 ( -0.866 -0.011 3.996) 4.088 5.608 ( -0.149 0.121 -1.872) 1.882 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 1.467 0.517 0.863) 1.779 1.017 ( -0.869 -1.043 -2.047) 2.456 1.187 ( -2.573 1.383 5.525) 6.250 1.373 ( 0.267 -0.638 -0.384) 0.792 1.442 ( -3.466 -0.240 5.673) 6.653 1.478 ( -2.488 0.066 0.065) 2.489 1.506 ( -0.267 0.969 4.236) 4.353 1.542 ( 1.241 -0.983 0.925) 1.834 1.576 ( 0.712 2.045 8.926) 9.185 1.671 ( 3.712 -2.945 -0.454) 4.760 1.760 ( -1.406 0.185 -5.132) 5.324 1.826 ( 1.331 1.333 1.246) 2.258 1.878 ( 0.136 -1.039 -0.635) 1.225 2.219 ( 0.076 1.283 -0.214) 1.303 2.249 ( -0.352 -0.101 0.386) 0.532 2.366 ( -0.728 -1.008 0.938) 1.558 2.437 ( 2.784 0.329 -0.784) 2.911 2.526 ( 0.054 -0.015 -16.900) 16.900 2.865 ( -0.287 -0.013 1.981) 2.002 2.989 ( 0.438 0.031 -2.489) 2.527 3.266 ( -0.540 -0.026 3.694) 3.733 3.431 ( -1.358 -0.059 -3.406) 3.667 3.480 ( -2.141 -0.018 0.513) 2.202 3.486 ( 2.859 0.191 0.369) 2.889 3.523 ( -0.736 -0.233 -1.079) 1.327 3.565 ( 0.536 0.113 -2.832) 2.885 3.749 ( -0.011 0.011 4.218) 4.218 3.899 ( -2.173 -0.028 0.884) 2.346 3.902 ( 2.115 0.050 0.014) 2.115 3.919 ( -0.042 -0.027 2.221) 2.222 4.361 ( -0.104 -0.005 7.275) 7.276 4.556 ( -0.604 -0.030 3.184) 3.241 4.668 ( 0.671 0.036 -3.700) 3.761 4.774 ( -0.678 0.002 -4.868) 4.915 5.446 ( 0.054 0.000 3.733) 3.733 5.602 ( -0.430 -0.000 -2.165) 2.207 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.826 0.283 0.574) 1.045 1.033 ( 2.650 0.534 -0.422) 2.736 1.124 ( -3.526 -1.862 4.588) 6.078 1.337 ( -6.718 -2.034 2.297) 7.385 1.364 ( -1.576 -1.098 -2.570) 3.208 1.411 ( -3.059 -1.174 0.029) 3.277 1.508 ( -4.048 0.254 10.644) 11.390 1.538 ( 1.119 0.422 1.959) 2.295 1.596 ( 2.439 1.957 3.431) 4.642 1.728 ( -1.648 3.347 -2.247) 4.355 1.773 ( -0.440 -1.607 -0.482) 1.734 1.794 ( 0.668 0.240 -0.247) 0.752 1.843 ( -1.539 -1.338 -1.556) 2.565 2.222 ( -2.323 -0.875 1.637) 2.974 2.244 ( -0.305 0.883 0.808) 1.235 2.357 ( -0.318 0.586 0.354) 0.754 2.440 ( -1.698 1.409 -1.546) 2.694 2.517 ( -0.819 -0.105 -16.723) 16.744 2.888 ( 2.442 -0.224 1.821) 3.054 3.014 ( 2.248 0.170 -2.815) 3.607 3.204 ( -5.073 -0.266 3.332) 6.075 3.348 ( -5.653 -0.335 -2.820) 6.327 3.465 ( -0.236 0.071 0.692) 0.735 3.510 ( -0.837 -0.465 -1.223) 1.553 3.530 ( 1.515 -0.167 -0.598) 1.637 3.568 ( -0.161 0.218 -1.998) 2.016 3.736 ( -1.160 0.013 3.790) 3.964 3.866 ( -1.231 -0.051 -0.716) 1.424 3.930 ( 0.865 -0.027 2.331) 2.486 3.942 ( 1.810 -0.026 0.969) 2.053 4.376 ( 1.458 -0.134 6.745) 6.902 4.507 ( -3.269 -0.281 2.423) 4.078 4.754 ( 6.514 0.416 -3.147) 7.246 4.777 ( 1.197 -0.611 -3.764) 3.997 5.456 ( 1.011 0.073 3.097) 3.259 5.592 ( -0.620 -0.362 -1.973) 2.100 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -5.422 -2.774 3.095) 6.832 0.990 ( -4.732 -1.328 2.297) 5.425 1.113 ( -1.042 0.891 -1.092) 1.753 1.219 ( -7.463 -2.330 -0.412) 7.829 1.338 ( -1.046 -4.108 -0.331) 4.252 1.399 ( -5.154 0.207 8.760) 10.166 1.405 ( 0.752 -1.890 -0.975) 2.256 1.542 ( -4.504 3.211 1.699) 5.786 1.585 ( 1.926 1.590 1.578) 2.954 1.660 ( -4.695 3.108 -0.388) 5.644 1.721 ( 0.400 0.141 1.850) 1.898 1.832 ( 1.887 -0.337 3.072) 3.621 1.889 ( 1.943 -1.197 -2.988) 3.760 2.118 ( -9.033 -0.873 1.836) 9.259 2.147 ( -8.855 2.133 0.982) 9.161 2.341 ( -2.642 1.749 -0.190) 3.174 2.369 ( -4.338 1.198 -1.147) 4.644 2.511 ( 0.416 -0.191 -16.135) 16.141 2.944 ( 2.434 -0.362 1.876) 3.094 3.070 ( 2.753 -0.300 -2.487) 3.722 3.111 ( -3.723 0.051 2.562) 4.520 3.243 ( -4.799 0.120 -2.698) 5.507 3.469 ( 1.074 0.123 0.351) 1.136 3.493 ( -0.660 -0.047 -0.949) 1.157 3.563 ( 2.023 -0.680 -0.972) 2.345 3.574 ( 1.055 -0.192 -1.532) 1.870 3.706 ( -1.765 0.023 3.537) 3.952 3.847 ( -1.012 -0.181 -2.265) 2.487 3.940 ( 0.053 -0.089 2.458) 2.460 3.963 ( 0.117 -0.284 1.234) 1.271 4.411 ( 1.672 -0.696 5.471) 5.762 4.445 ( -3.471 -0.514 3.183) 4.737 4.804 ( 2.050 -0.926 -1.240) 2.569 4.914 ( 9.189 0.470 -4.155) 10.095 5.484 ( 2.034 0.248 2.360) 3.125 5.583 ( -0.593 -0.855 -1.188) 1.579 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -11.389 -4.069 4.415) 12.875 0.928 ( -4.359 1.028 2.454) 5.107 1.025 ( -6.401 0.041 -1.174) 6.508 1.069 ( -8.589 -1.776 0.310) 8.776 1.303 ( -4.431 -5.982 5.051) 8.997 1.351 ( -2.947 0.370 2.437) 3.842 1.399 ( -2.731 -2.932 -1.488) 4.274 1.492 ( 1.830 1.725 -1.203) 2.788 1.536 ( -4.427 3.890 2.782) 6.517 1.641 ( 2.514 1.974 0.141) 3.199 1.723 ( -1.811 -0.536 2.802) 3.379 1.856 ( -1.098 -0.034 4.575) 4.705 1.871 ( -5.340 0.041 -0.521) 5.366 1.909 ( -9.770 -0.747 1.942) 9.989 1.954 ( -7.101 2.878 -0.927) 7.718 2.204 ( -8.775 1.999 0.586) 9.019 2.272 ( -6.484 0.415 -2.026) 6.806 2.532 ( 1.660 0.482 -15.039) 15.138 2.956 ( -1.639 -0.093 2.080) 2.650 3.054 ( -1.527 0.311 2.026) 2.556 3.100 ( -1.191 0.528 -3.548) 3.780 3.180 ( -1.309 0.405 -3.228) 3.507 3.503 ( 1.729 -0.031 0.103) 1.732 3.509 ( 2.484 0.027 -0.173) 2.491 3.566 ( -3.673 -0.318 0.347) 3.703 3.616 ( 3.146 -0.242 -0.804) 3.256 3.716 ( 4.416 -0.013 1.534) 4.674 3.818 ( -2.423 -1.000 -3.436) 4.322 3.935 ( -0.423 -0.116 2.069) 2.115 3.953 ( -0.860 -0.336 1.334) 1.622 4.373 ( -4.228 -0.753 4.655) 6.334 4.442 ( 0.401 -2.637 3.503) 4.403 4.860 ( 3.191 -0.914 2.073) 3.913 5.094 ( 9.528 0.780 -5.609) 11.084 5.531 ( 2.836 0.364 2.006) 3.493 5.582 ( 0.214 -1.150 0.170) 1.182 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -10.518 0.405 4.897) 11.609 0.768 ( -9.918 3.209 3.956) 11.149 0.893 ( -8.660 -0.400 -0.724) 8.700 0.964 ( -2.004 -0.558 0.652) 2.180 1.210 ( -11.417 -4.239 8.861) 15.061 1.285 ( -2.685 0.869 2.698) 3.904 1.344 ( -4.184 -3.836 0.842) 5.738 1.408 ( -4.223 3.416 -0.516) 5.456 1.514 ( -2.137 -1.438 -4.868) 5.507 1.628 ( -4.224 -1.343 4.802) 6.534 1.686 ( -5.078 -0.581 -1.100) 5.228 1.705 ( 0.046 0.442 1.036) 1.127 1.776 ( -3.696 0.093 -0.465) 3.726 1.846 ( -5.337 -0.227 -2.893) 6.075 1.897 ( 0.969 0.160 7.469) 7.533 2.030 ( -6.748 2.052 1.775) 7.273 2.130 ( -6.429 2.644 -1.708) 7.158 2.571 ( 2.970 1.155 -15.082) 15.415 2.887 ( -4.955 0.222 1.827) 5.286 3.005 ( -5.272 1.136 -2.822) 6.087 3.053 ( -0.946 0.905 0.174) 1.321 3.181 ( 0.945 0.316 -5.258) 5.352 3.439 ( -7.547 -0.330 1.264) 7.659 3.519 ( -3.251 -0.990 -3.123) 4.616 3.558 ( 2.475 -0.140 1.973) 3.168 3.679 ( 2.971 0.382 -1.162) 3.213 3.776 ( -0.472 -1.660 1.370) 2.204 3.846 ( 6.269 0.091 -0.846) 6.327 3.931 ( 0.240 -0.065 1.080) 1.108 3.950 ( 0.589 0.156 -0.077) 0.614 4.293 ( -4.314 -1.049 6.368) 7.763 4.443 ( -2.850 -6.413 2.082) 7.320 4.929 ( 3.495 -0.227 4.782) 5.927 5.254 ( 7.033 0.931 -7.676) 10.452 5.585 ( 2.893 -0.556 3.181) 4.336 5.612 ( 2.634 -0.075 1.192) 2.892 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -4.220 7.376 5.559) 10.154 0.567 ( -7.793 5.603 7.481) 12.169 0.733 ( -7.562 2.596 -2.397) 8.347 0.901 ( -10.200 1.114 11.513) 15.422 0.971 ( -4.091 2.969 0.518) 5.082 1.229 ( -3.512 -1.117 1.209) 3.878 1.293 ( -2.707 -3.878 1.045) 4.843 1.367 ( -3.507 -2.578 3.618) 5.660 1.424 ( -2.122 -3.353 -1.731) 4.330 1.604 ( -1.609 -3.766 0.635) 4.144 1.649 ( -2.280 -2.059 -1.133) 3.274 1.676 ( -1.314 -1.770 -0.217) 2.215 1.735 ( -3.370 1.457 -2.187) 4.273 1.745 ( -1.930 -0.145 -2.577) 3.223 1.878 ( -1.859 -0.136 4.507) 4.877 2.000 ( 3.718 3.298 0.459) 4.991 2.037 ( -0.708 4.158 2.853) 5.092 2.632 ( 3.716 1.163 -15.799) 16.272 2.791 ( -4.272 0.194 1.272) 4.461 2.877 ( -6.174 0.801 -3.056) 6.935 3.042 ( -0.333 0.522 0.444) 0.762 3.166 ( -4.738 -0.130 -8.106) 9.390 3.305 ( -5.646 0.017 1.792) 5.923 3.398 ( -7.708 -2.339 -2.938) 8.574 3.601 ( 1.724 0.080 2.010) 2.649 3.715 ( 1.263 0.842 -2.259) 2.722 3.825 ( 4.336 -1.326 5.568) 7.181 3.899 ( -0.006 0.205 -0.316) 0.377 3.962 ( 0.473 0.198 -0.716) 0.881 3.969 ( 2.089 0.048 0.927) 2.286 4.227 ( -3.540 -2.409 7.145) 8.329 4.400 ( -5.118 -9.624 2.921) 11.285 4.987 ( 2.364 0.444 5.820) 6.297 5.344 ( 2.810 0.527 -8.925) 9.372 5.646 ( 2.600 0.275 3.144) 4.089 5.679 ( 4.154 -0.691 2.400) 4.847 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 0.000 12.080 3.948) 12.709 0.447 ( 0.000 8.270 11.659) 14.294 0.598 ( 0.000 3.844 1.504) 4.128 0.768 ( 0.000 2.752 17.155) 17.375 0.941 ( 0.000 1.763 -9.054) 9.225 1.203 ( -0.000 -4.519 -1.729) 4.839 1.275 ( -0.000 -1.134 4.793) 4.926 1.338 ( -0.000 -1.767 6.092) 6.343 1.437 ( -0.000 -3.343 -2.231) 4.019 1.606 ( -0.000 -8.591 0.108) 8.591 1.626 ( -0.000 -1.221 0.723) 1.419 1.684 ( 0.000 1.029 -1.291) 1.651 1.689 ( -0.000 -0.871 -1.807) 2.006 1.730 ( 0.000 0.747 -4.560) 4.621 1.864 ( 0.000 0.299 2.896) 2.911 1.992 ( 0.000 5.315 -0.855) 5.383 2.093 ( 0.000 1.730 0.444) 1.786 2.676 ( 0.000 0.656 -17.662) 17.674 2.745 ( 0.000 0.126 1.004) 1.012 2.801 ( 0.000 0.185 -1.085) 1.101 3.032 ( 0.000 0.223 0.398) 0.456 3.036 ( 0.000 0.165 0.287) 0.330 3.243 ( 0.000 0.435 1.801) 1.853 3.340 ( -0.000 -0.946 -2.455) 2.631 3.618 ( 0.000 0.177 1.796) 1.805 3.722 ( 0.000 0.996 -2.111) 2.334 3.893 ( 0.000 0.054 0.543) 0.545 3.924 ( 0.000 0.083 -0.578) 0.584 3.935 ( -0.000 -1.531 4.013) 4.295 3.986 ( 0.000 0.054 1.781) 1.781 4.196 ( -0.000 -5.546 9.143) 10.694 4.386 ( -0.000 -8.999 3.729) 9.741 5.008 ( 0.000 0.580 5.841) 5.869 5.367 ( 0.000 0.350 -9.107) 9.114 5.668 ( 0.000 0.889 3.145) 3.269 5.744 ( -0.000 -2.600 1.210) 2.868 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 1.828 0.000 0.557) 1.911 1.011 ( -1.168 -0.000 -1.947) 2.271 1.195 ( -2.853 -0.000 5.867) 6.524 1.369 ( -0.230 -0.000 0.231) 0.326 1.442 ( -3.868 -0.000 5.932) 7.082 1.478 ( -1.784 -0.000 0.158) 1.791 1.516 ( -2.080 -0.000 1.422) 2.519 1.532 ( 2.011 0.000 2.769) 3.422 1.591 ( 0.603 0.000 9.986) 10.004 1.652 ( 4.760 0.000 -1.612) 5.026 1.761 ( -1.447 -0.000 -5.092) 5.294 1.834 ( 1.932 0.000 1.006) 2.178 1.871 ( -0.265 -0.000 -0.281) 0.386 2.227 ( -0.097 -0.000 -0.495) 0.504 2.248 ( -0.147 -0.000 -0.065) 0.161 2.360 ( -0.776 -0.000 1.337) 1.546 2.439 ( 3.090 0.000 -0.686) 3.166 2.526 ( 0.064 0.000 -16.862) 16.862 2.865 ( -0.332 -0.000 1.978) 2.005 2.989 ( 0.507 0.000 -2.502) 2.553 3.266 ( -0.624 -0.000 3.685) 3.738 3.430 ( -1.553 -0.000 -3.412) 3.749 3.480 ( -2.076 -0.000 0.539) 2.145 3.487 ( 2.912 0.000 0.354) 2.933 3.522 ( -0.848 -0.000 -1.087) 1.379 3.566 ( 0.595 0.000 -2.827) 2.889 3.749 ( -0.013 -0.000 4.216) 4.217 3.899 ( -2.169 -0.000 0.974) 2.378 3.902 ( 2.105 0.000 -0.104) 2.108 3.919 ( -0.052 -0.000 2.250) 2.250 4.361 ( -0.120 -0.000 7.274) 7.275 4.556 ( -0.696 -0.000 3.175) 3.250 4.668 ( 0.773 0.000 -3.692) 3.772 4.774 ( -0.783 -0.000 -4.865) 4.928 5.446 ( 0.063 0.000 3.733) 3.734 5.602 ( -0.497 -0.000 -2.165) 2.221 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -0.499 -0.176 0.371) 0.646 1.041 ( 5.498 0.716 -0.570) 5.574 1.111 ( -5.964 -0.765 5.389) 8.075 1.316 ( -5.484 -1.405 1.575) 5.876 1.364 ( -3.645 0.439 -1.049) 3.819 1.401 ( -2.972 -0.715 -1.791) 3.543 1.509 ( -4.822 0.099 10.506) 11.560 1.540 ( 2.229 0.058 1.520) 2.699 1.613 ( 2.584 1.082 4.432) 5.243 1.750 ( 2.009 0.527 -2.301) 3.100 1.763 ( -0.823 0.069 -2.211) 2.360 1.802 ( -1.298 1.590 0.160) 2.059 1.824 ( -2.226 -2.317 -0.447) 3.243 2.216 ( -2.417 -0.319 1.500) 2.862 2.251 ( -0.968 0.421 0.410) 1.132 2.360 ( 0.854 0.181 0.484) 0.998 2.450 ( -1.555 0.508 -1.483) 2.208 2.516 ( -0.926 -0.047 -16.657) 16.683 2.887 ( 2.380 -0.082 1.792) 2.980 3.016 ( 2.156 0.062 -2.962) 3.664 3.202 ( -5.048 -0.098 3.263) 6.012 3.345 ( -5.564 -0.126 -2.911) 6.281 3.465 ( -0.226 0.029 0.678) 0.715 3.507 ( -0.777 -0.175 -1.136) 1.388 3.529 ( 1.285 -0.061 -0.514) 1.385 3.569 ( -0.257 0.079 -2.016) 2.034 3.736 ( -1.155 0.006 3.761) 3.934 3.865 ( -1.232 -0.019 -0.730) 1.432 3.930 ( 0.845 -0.008 2.306) 2.456 3.942 ( 1.772 -0.011 0.938) 2.005 4.375 ( 1.379 -0.051 6.707) 6.847 4.505 ( -3.314 -0.104 2.359) 4.069 4.758 ( 6.940 0.228 -3.190) 7.642 4.772 ( 0.657 -0.298 -3.552) 3.624 5.457 ( 1.054 0.030 2.954) 3.136 5.590 ( -0.754 -0.135 -1.985) 2.128 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -8.352 -2.340 4.565) 9.801 0.988 ( -2.683 0.226 2.142) 3.441 1.119 ( -0.575 0.372 -1.467) 1.619 1.200 ( -7.468 -1.367 -1.282) 7.700 1.306 ( -1.881 -2.193 -0.153) 2.893 1.389 ( 0.288 -1.162 -2.552) 2.819 1.401 ( -4.867 0.153 9.404) 10.589 1.570 ( -1.725 2.095 0.297) 2.730 1.599 ( -1.193 1.195 3.514) 3.899 1.677 ( -4.914 0.246 0.475) 4.943 1.731 ( 1.291 1.757 -0.025) 2.181 1.830 ( 1.908 -0.102 3.284) 3.800 1.874 ( 1.987 -1.641 -3.022) 3.972 2.110 ( -8.905 -0.626 2.080) 9.166 2.164 ( -7.735 1.275 0.285) 7.844 2.355 ( -2.357 1.000 -0.091) 2.562 2.379 ( -5.369 0.741 -0.984) 5.509 2.509 ( 0.612 -0.098 -16.168) 16.180 2.941 ( 2.473 -0.209 1.792) 3.062 3.067 ( 2.575 -0.202 -2.539) 3.622 3.112 ( -3.445 0.041 2.431) 4.217 3.244 ( -4.566 0.064 -2.782) 5.347 3.470 ( 1.086 0.083 0.330) 1.138 3.493 ( -0.474 0.019 -1.021) 1.126 3.557 ( 2.025 -0.453 -0.854) 2.244 3.573 ( 0.924 -0.112 -1.590) 1.842 3.707 ( -1.768 0.017 3.516) 3.935 3.846 ( -1.154 -0.109 -2.281) 2.559 3.940 ( 0.035 -0.046 2.427) 2.428 3.961 ( -0.008 -0.169 1.316) 1.327 4.405 ( 1.290 -0.414 5.409) 5.576 4.441 ( -3.575 -0.304 3.079) 4.728 4.796 ( 1.975 -0.504 -0.807) 2.192 4.918 ( 9.285 0.254 -4.171) 10.182 5.487 ( 2.148 0.187 1.989) 2.934 5.576 ( -0.778 -0.531 -1.160) 1.494 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -9.597 -2.467 4.135) 10.737 0.941 ( -2.784 1.498 2.803) 4.225 1.023 ( -8.562 -0.349 -2.797) 9.014 1.051 ( -7.164 -1.819 1.430) 7.529 1.246 ( -6.039 -4.738 5.342) 9.352 1.358 ( -2.994 0.245 2.144) 3.690 1.372 ( -2.483 -1.821 -0.900) 3.208 1.516 ( 0.624 2.692 -0.217) 2.772 1.562 ( -2.301 1.211 1.612) 3.059 1.662 ( 1.902 2.145 -0.175) 2.872 1.722 ( -2.859 0.413 1.833) 3.422 1.856 ( -1.456 -0.094 3.223) 3.538 1.861 ( -3.705 -1.438 0.945) 4.085 1.899 ( -10.736 -1.079 2.569) 11.092 1.983 ( -8.084 2.665 -1.267) 8.605 2.222 ( -9.037 1.498 0.417) 9.170 2.275 ( -5.969 0.200 -1.949) 6.282 2.536 ( 2.007 0.362 -14.785) 14.925 2.956 ( -1.455 -0.079 2.073) 2.534 3.057 ( -1.306 0.228 2.098) 2.482 3.105 ( -0.564 0.451 -3.681) 3.751 3.184 ( -1.369 0.281 -3.170) 3.464 3.503 ( 1.608 0.021 0.004) 1.609 3.509 ( 2.388 0.020 -0.217) 2.398 3.563 ( -3.702 -0.234 0.212) 3.716 3.614 ( 3.490 -0.211 -0.853) 3.599 3.716 ( 4.454 0.024 1.580) 4.726 3.809 ( -3.084 -0.858 -3.135) 4.481 3.934 ( -0.428 -0.097 2.162) 2.206 3.950 ( -0.665 -0.239 1.506) 1.663 4.367 ( -4.312 -0.522 4.516) 6.266 4.419 ( -0.846 -1.990 3.785) 4.359 4.852 ( 3.457 -0.569 2.728) 4.441 5.101 ( 9.613 0.527 -5.702) 11.189 5.535 ( 2.869 0.542 1.442) 3.257 5.571 ( 0.197 -1.091 0.331) 1.157 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -6.630 2.338 3.442) 7.827 0.798 ( -9.544 2.669 2.140) 10.138 0.889 ( -6.852 -0.158 1.232) 6.964 0.960 ( -2.220 -0.244 3.357) 4.032 1.148 ( -7.990 -7.169 6.014) 12.305 1.288 ( -3.424 -1.673 0.194) 3.816 1.314 ( -4.124 -0.892 3.791) 5.672 1.459 ( -6.952 5.966 0.588) 9.180 1.506 ( -4.541 -0.152 -4.523) 6.411 1.615 ( -3.162 -1.254 3.554) 4.919 1.678 ( -6.126 -1.016 0.891) 6.273 1.711 ( -0.299 0.588 -0.129) 0.672 1.757 ( -5.585 -3.337 -0.694) 6.543 1.856 ( -5.035 1.498 -2.554) 5.841 1.899 ( 1.061 0.275 7.561) 7.640 2.049 ( -6.427 1.659 2.255) 7.010 2.153 ( -5.413 1.928 -2.181) 6.146 2.582 ( 3.192 1.013 -14.635) 15.013 2.890 ( -4.883 0.181 1.921) 5.251 3.016 ( -4.755 1.069 -2.615) 5.531 3.062 ( -1.269 0.936 -0.090) 1.580 3.183 ( 0.886 0.188 -4.895) 4.979 3.436 ( -7.557 -0.267 1.100) 7.641 3.508 ( -4.423 -1.045 -3.085) 5.493 3.557 ( 2.571 -0.120 1.950) 3.229 3.682 ( 3.240 0.361 -1.317) 3.516 3.760 ( -0.457 -1.463 2.307) 2.770 3.846 ( 6.594 -0.036 -0.710) 6.632 3.931 ( 0.270 -0.080 1.390) 1.418 3.951 ( 0.722 0.110 0.076) 0.735 4.284 ( -4.424 -0.758 6.181) 7.639 4.384 ( -4.686 -5.300 3.610) 7.943 4.927 ( 3.910 -0.083 5.230) 6.531 5.262 ( 6.895 0.668 -7.852) 10.471 5.580 ( 2.521 -0.428 3.184) 4.084 5.612 ( 3.273 -0.009 0.820) 3.374 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -0.440 9.294 3.129) 9.817 0.618 ( -6.428 4.488 5.889) 9.805 0.758 ( -6.149 2.520 1.236) 6.759 0.901 ( -6.957 -0.933 8.056) 10.685 1.002 ( -4.612 2.663 3.880) 6.588 1.220 ( -6.028 -1.266 0.545) 6.184 1.256 ( -1.039 -2.962 0.884) 3.262 1.347 ( -3.727 -1.145 4.198) 5.729 1.389 ( -3.498 -3.472 -0.914) 5.013 1.567 ( -5.519 -3.784 0.803) 6.739 1.627 ( -2.158 -2.181 -0.657) 3.137 1.657 ( -0.314 -1.994 -0.698) 2.135 1.746 ( -0.180 0.547 -3.172) 3.224 1.753 ( -4.040 1.567 -3.075) 5.313 1.876 ( -1.965 -0.246 6.111) 6.424 2.029 ( 4.051 2.485 2.668) 5.450 2.074 ( -1.219 3.108 0.591) 3.390 2.645 ( 3.543 1.208 -15.167) 15.623 2.793 ( -4.333 0.194 1.318) 4.534 2.886 ( -6.681 0.813 -3.084) 7.403 3.047 ( -0.572 0.540 0.629) 1.007 3.165 ( -5.417 -0.243 -7.129) 8.957 3.304 ( -5.349 -0.063 1.631) 5.593 3.374 ( -7.045 -2.251 -1.932) 7.644 3.602 ( 1.819 0.060 2.142) 2.811 3.723 ( 1.488 0.855 -2.459) 2.999 3.811 ( 4.237 -1.396 6.788) 8.122 3.901 ( -0.107 0.128 -0.201) 0.261 3.964 ( 0.095 0.074 -0.653) 0.664 3.970 ( 2.266 0.095 1.399) 2.665 4.203 ( -5.329 -2.269 7.748) 9.674 4.317 ( -3.999 -7.025 4.609) 9.305 4.991 ( 2.578 0.458 5.983) 6.531 5.348 ( 2.433 0.194 -8.692) 9.028 5.648 ( 3.498 0.075 3.132) 4.696 5.675 ( 3.249 -0.070 1.651) 3.645 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 11.008 3.913) 11.683 0.534 ( 0.000 8.815 9.399) 12.886 0.636 ( 0.000 3.688 -2.001) 4.196 0.800 ( 0.000 3.501 18.966) 19.286 0.961 ( 0.000 2.222 -7.893) 8.200 1.163 ( -0.000 -3.293 0.142) 3.296 1.262 ( -0.000 -1.387 3.889) 4.129 1.312 ( -0.000 -3.261 6.307) 7.100 1.399 ( -0.000 -4.145 -1.960) 4.585 1.524 ( -0.000 -7.749 1.040) 7.819 1.613 ( -0.000 -1.398 1.059) 1.753 1.678 ( -0.000 -1.320 -3.487) 3.728 1.694 ( 0.000 0.974 -1.746) 1.999 1.742 ( 0.000 1.470 -4.991) 5.203 1.862 ( -0.000 -0.499 5.125) 5.150 2.039 ( 0.000 4.060 -1.503) 4.329 2.107 ( 0.000 1.109 1.370) 1.763 2.683 ( 0.000 0.796 -16.667) 16.686 2.746 ( 0.000 0.146 0.991) 1.002 2.803 ( 0.000 0.211 -1.122) 1.142 3.034 ( 0.000 0.258 0.376) 0.456 3.037 ( 0.000 0.189 0.290) 0.346 3.247 ( 0.000 0.359 1.859) 1.893 3.331 ( -0.000 -0.819 -2.433) 2.567 3.620 ( 0.000 0.175 1.963) 1.971 3.733 ( 0.000 1.119 -2.320) 2.576 3.893 ( 0.000 0.062 0.562) 0.565 3.914 ( -0.000 -2.705 7.007) 7.511 3.925 ( 0.000 0.096 -0.571) 0.579 3.987 ( 0.000 0.142 2.375) 2.379 4.143 ( -0.000 -4.503 10.726) 11.633 4.315 ( -0.000 -5.571 3.477) 6.567 5.014 ( 0.000 0.647 5.961) 5.996 5.369 ( -0.000 -0.072 -8.632) 8.633 5.678 ( 0.000 1.009 2.353) 2.560 5.723 ( -0.000 -1.552 1.681) 2.288 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -8.729 -0.000 4.855) 9.988 0.990 ( -2.511 -0.000 2.371) 3.453 1.121 ( -0.656 -0.000 -1.505) 1.642 1.193 ( -7.348 -0.000 -1.637) 7.528 1.295 ( -2.141 -0.000 -0.226) 2.153 1.383 ( 0.087 0.000 -2.876) 2.877 1.402 ( -4.712 -0.000 9.407) 10.521 1.580 ( 0.750 0.000 -1.273) 1.477 1.606 ( -4.190 -0.000 5.631) 7.019 1.676 ( -3.955 -0.000 0.460) 3.982 1.742 ( 0.817 0.000 -0.720) 1.089 1.829 ( 1.862 0.000 3.315) 3.802 1.864 ( 2.199 0.000 -2.953) 3.681 2.106 ( -8.894 -0.000 2.161) 9.152 2.171 ( -7.313 -0.000 0.025) 7.313 2.360 ( -2.322 -0.000 -0.066) 2.323 2.383 ( -5.711 -0.000 -0.927) 5.786 2.509 ( 0.695 0.000 -16.180) 16.195 2.940 ( 2.486 0.000 1.762) 3.047 3.066 ( 2.518 0.000 -2.559) 3.591 3.112 ( -3.351 -0.000 2.387) 4.114 3.244 ( -4.477 -0.000 -2.810) 5.285 3.471 ( 1.091 0.000 0.326) 1.139 3.493 ( -0.402 -0.000 -1.068) 1.141 3.555 ( 2.023 0.000 -0.797) 2.174 3.572 ( 0.875 0.000 -1.611) 1.834 3.707 ( -1.768 -0.000 3.508) 3.929 3.845 ( -1.210 -0.000 -2.286) 2.586 3.939 ( 0.029 0.000 2.416) 2.417 3.960 ( -0.055 -0.000 1.347) 1.348 4.403 ( 1.149 0.000 5.387) 5.508 4.439 ( -3.615 -0.000 3.041) 4.724 4.794 ( 1.952 0.000 -0.652) 2.058 4.919 ( 9.319 0.000 -4.176) 10.212 5.488 ( 2.204 0.000 1.848) 2.876 5.573 ( -0.859 -0.000 -1.144) 1.431 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -8.344 -0.803 3.839) 9.220 0.955 ( -1.336 1.018 3.035) 3.469 1.020 ( -9.824 -0.207 -3.991) 10.606 1.035 ( -6.794 -1.161 2.247) 7.249 1.214 ( -7.014 -1.618 6.006) 9.375 1.350 ( -4.269 -0.803 -2.304) 4.917 1.369 ( -1.302 0.225 3.233) 3.492 1.542 ( -0.110 2.373 1.178) 2.652 1.561 ( -1.098 -1.183 0.436) 1.672 1.678 ( 2.314 0.864 -0.105) 2.473 1.730 ( -3.679 0.805 0.713) 3.833 1.842 ( -5.319 -1.242 -2.151) 5.870 1.861 ( 1.190 0.314 6.811) 6.922 1.890 ( -12.230 -0.631 2.727) 12.546 2.002 ( -8.457 1.001 -1.606) 8.666 2.233 ( -9.257 0.559 0.332) 9.280 2.276 ( -5.594 0.044 -1.869) 5.898 2.539 ( 2.198 0.134 -14.636) 14.801 2.955 ( -1.350 -0.032 2.067) 2.469 3.058 ( -1.171 0.084 2.142) 2.443 3.108 ( -0.149 0.181 -3.789) 3.796 3.186 ( -1.429 0.099 -3.136) 3.448 3.504 ( 1.516 0.018 -0.062) 1.518 3.509 ( 2.334 0.008 -0.238) 2.346 3.562 ( -3.717 -0.086 0.133) 3.720 3.612 ( 3.712 -0.087 -0.883) 3.817 3.716 ( 4.517 0.019 1.599) 4.792 3.803 ( -3.553 -0.347 -2.907) 4.604 3.934 ( -0.444 -0.038 2.220) 2.264 3.949 ( -0.542 -0.086 1.597) 1.689 4.363 ( -4.350 -0.177 4.431) 6.212 4.405 ( -1.546 -0.746 3.960) 4.316 4.848 ( 3.615 -0.190 3.063) 4.742 5.104 ( 9.657 0.185 -5.745) 11.239 5.540 ( 3.200 0.400 0.967) 3.367 5.562 ( -0.117 -0.596 0.580) 0.840 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -3.300 2.288 1.544) 4.301 0.817 ( -9.839 1.046 -1.081) 9.954 0.894 ( -5.603 1.245 5.380) 7.867 0.959 ( -1.040 0.024 4.536) 4.653 1.080 ( -8.064 -5.860 5.994) 11.632 1.262 ( -4.697 -2.321 -2.091) 5.641 1.318 ( -3.109 0.699 5.913) 6.717 1.494 ( -6.866 0.517 -2.676) 7.387 1.531 ( -7.268 5.241 -0.778) 8.994 1.605 ( -1.809 -0.616 2.054) 2.805 1.665 ( -6.904 -1.763 1.252) 7.235 1.709 ( -7.424 -1.686 1.225) 7.711 1.728 ( 0.038 -1.119 -1.875) 2.184 1.868 ( -4.645 0.883 -1.210) 4.881 1.902 ( 0.576 0.275 6.633) 6.663 2.062 ( -6.236 0.917 2.649) 6.837 2.168 ( -4.896 0.987 -2.556) 5.610 2.590 ( 3.368 0.593 -14.289) 14.692 2.891 ( -4.827 0.100 1.990) 5.222 3.025 ( -4.242 0.638 -2.331) 4.882 3.070 ( -1.644 0.653 -0.543) 1.851 3.185 ( 0.838 0.055 -4.584) 4.660 3.434 ( -7.554 -0.140 0.979) 7.618 3.499 ( -5.424 -0.713 -2.974) 6.227 3.556 ( 2.632 -0.069 1.936) 3.268 3.685 ( 3.449 0.220 -1.478) 3.759 3.748 ( -0.366 -0.865 3.050) 3.191 3.845 ( 6.831 -0.060 -0.567) 6.855 3.930 ( 0.307 -0.057 1.611) 1.641 3.952 ( 0.796 0.054 0.186) 0.819 4.279 ( -4.286 -0.235 6.005) 7.381 4.341 ( -5.925 -3.087 4.587) 8.104 4.927 ( 4.175 -0.017 5.479) 6.889 5.267 ( 6.756 0.339 -7.931) 10.424 5.577 ( 2.342 -0.228 3.198) 3.971 5.612 ( 3.689 0.017 0.575) 3.734 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 2.082 8.738 0.159) 8.984 0.652 ( -5.616 2.343 3.539) 7.039 0.784 ( -5.114 2.640 5.950) 8.278 0.885 ( -6.533 -2.229 9.607) 11.830 1.016 ( -0.963 0.204 3.107) 3.260 1.195 ( -5.021 -3.272 -1.727) 6.237 1.247 ( -2.413 0.859 2.543) 3.609 1.334 ( -6.534 -2.647 4.730) 8.489 1.373 ( -4.083 1.641 -0.929) 4.498 1.526 ( -8.824 -4.430 1.163) 9.942 1.610 ( -1.120 -1.188 0.298) 1.660 1.638 ( 0.449 -1.717 -1.865) 2.574 1.751 ( 0.562 0.459 -3.831) 3.899 1.766 ( -4.674 1.040 -3.175) 5.745 1.874 ( -2.034 -0.069 7.221) 7.503 2.050 ( 3.891 1.659 4.769) 6.375 2.097 ( -1.494 1.635 -1.138) 2.490 2.655 ( 3.413 0.934 -14.591) 15.014 2.795 ( -4.381 0.142 1.365) 4.591 2.893 ( -7.242 0.607 -3.145) 7.919 3.052 ( -0.804 0.409 0.783) 1.194 3.162 ( -6.005 -0.289 -6.151) 8.601 3.303 ( -5.211 -0.109 1.583) 5.447 3.355 ( -6.014 -1.534 -1.231) 6.327 3.602 ( 1.892 0.030 2.268) 2.954 3.731 ( 1.660 0.629 -2.670) 3.206 3.799 ( 4.044 -1.044 7.754) 8.807 3.902 ( -0.173 0.047 -0.074) 0.194 3.964 ( -0.269 -0.032 -0.597) 0.655 3.971 ( 2.431 0.110 1.750) 2.998 4.184 ( -6.766 -1.395 8.098) 10.645 4.261 ( -2.144 -4.169 4.918) 6.794 4.995 ( 2.729 0.334 6.098) 6.689 5.348 ( 2.106 0.010 -8.364) 8.625 5.648 ( 4.080 -0.028 3.199) 5.185 5.676 ( 2.810 0.214 1.057) 3.010 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 7.601 5.672) 9.484 0.616 ( 0.000 7.456 7.843) 10.822 0.673 ( 0.000 4.087 -3.432) 5.337 0.829 ( 0.000 1.787 17.720) 17.809 0.983 ( 0.000 2.163 -6.593) 6.938 1.143 ( -0.000 -0.662 1.647) 1.775 1.248 ( -0.000 -1.225 2.730) 2.992 1.278 ( -0.000 -3.151 6.402) 7.136 1.357 ( -0.000 -4.146 -1.658) 4.465 1.454 ( -0.000 -6.378 1.937) 6.666 1.600 ( -0.000 -1.198 1.392) 1.837 1.664 ( -0.000 -1.490 -4.528) 4.767 1.702 ( 0.000 0.716 -2.142) 2.258 1.755 ( 0.000 1.093 -5.348) 5.458 1.857 ( -0.000 -0.344 6.650) 6.659 2.071 ( 0.000 2.390 -2.393) 3.382 2.115 ( 0.000 0.586 4.019) 4.062 2.691 ( 0.000 0.765 -15.704) 15.722 2.747 ( 0.000 0.128 0.979) 0.987 2.805 ( 0.000 0.181 -1.157) 1.171 3.037 ( 0.000 0.223 0.354) 0.419 3.039 ( 0.000 0.163 0.294) 0.336 3.250 ( 0.000 0.252 1.939) 1.956 3.324 ( -0.000 -0.531 -2.465) 2.521 3.621 ( 0.000 0.123 2.156) 2.160 3.744 ( 0.000 0.942 -2.553) 2.721 3.886 ( -0.000 -2.719 9.684) 10.059 3.894 ( 0.000 0.053 0.580) 0.583 3.926 ( 0.000 0.083 -0.564) 0.571 3.989 ( 0.000 0.147 2.991) 2.994 4.111 ( -0.000 -2.042 9.522) 9.739 4.270 ( -0.000 -3.635 2.908) 4.655 5.020 ( 0.000 0.543 6.068) 6.092 5.367 ( -0.000 -0.259 -8.012) 8.016 5.687 ( 0.000 0.871 1.905) 2.095 5.712 ( -0.000 -0.752 1.634) 1.799 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -1.931 -0.000 0.592) 2.020 0.821 ( -9.889 -0.000 -2.537) 10.209 0.904 ( -5.989 -0.000 8.152) 10.116 0.959 ( 1.395 0.000 3.586) 3.847 1.047 ( -9.612 -0.000 6.798) 11.773 1.250 ( -5.023 -0.000 -2.498) 5.610 1.322 ( -2.850 -0.000 6.215) 6.838 1.496 ( -8.019 -0.000 -3.072) 8.587 1.565 ( -5.375 -0.000 -0.263) 5.382 1.603 ( -2.588 -0.000 1.371) 2.929 1.649 ( -7.717 -0.000 0.521) 7.734 1.696 ( -9.666 -0.000 2.384) 9.956 1.726 ( 2.013 0.000 -2.041) 2.867 1.873 ( -4.304 -0.000 -0.332) 4.317 1.903 ( 0.164 0.000 5.895) 5.898 2.066 ( -6.172 -0.000 2.800) 6.778 2.173 ( -4.746 -0.000 -2.703) 5.461 2.593 ( 3.436 0.000 -14.158) 14.569 2.891 ( -4.806 -0.000 2.015) 5.211 3.028 ( -4.019 -0.000 -2.185) 4.574 3.074 ( -1.818 -0.000 -0.788) 1.981 3.185 ( 0.820 0.000 -4.454) 4.529 3.434 ( -7.548 -0.000 0.935) 7.606 3.496 ( -5.828 -0.000 -2.909) 6.513 3.556 ( 2.653 0.000 1.931) 3.281 3.686 ( 3.527 0.000 -1.554) 3.855 3.744 ( -0.310 -0.000 3.341) 3.355 3.845 ( 6.915 0.000 -0.506) 6.933 3.930 ( 0.323 0.000 1.691) 1.722 3.953 ( 0.819 0.000 0.225) 0.849 4.278 ( -4.051 -0.000 5.912) 7.167 4.325 ( -6.503 -0.000 4.933) 8.163 4.927 ( 4.265 0.000 5.559) 7.007 5.269 ( 6.698 0.000 -7.952) 10.397 5.576 ( 2.294 0.000 3.205) 3.941 5.612 ( 3.832 0.000 0.491) 3.863 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -5.265 0.594 2.192) 5.734 0.678 ( 4.320 4.385 -3.358) 7.012 0.805 ( -5.092 1.202 8.235) 9.756 0.862 ( -7.670 -1.728 13.811) 15.892 1.012 ( 2.633 -0.491 2.226) 3.483 1.169 ( -4.016 -1.538 -2.917) 5.196 1.263 ( -3.256 1.900 3.661) 5.255 1.304 ( -7.389 -2.685 2.468) 8.240 1.406 ( -5.674 3.693 0.791) 6.816 1.481 ( -10.457 -3.997 1.329) 11.273 1.604 ( -1.353 -0.144 1.340) 1.910 1.624 ( 1.164 -0.855 -2.985) 3.316 1.754 ( 0.893 0.180 -4.095) 4.195 1.773 ( -5.167 0.327 -3.221) 6.098 1.874 ( -2.004 0.019 7.808) 8.061 2.061 ( 3.850 0.613 6.423) 7.513 2.107 ( -1.777 0.457 -2.484) 3.088 2.662 ( 3.348 0.355 -14.252) 14.644 2.796 ( -4.405 0.052 1.395) 4.621 2.897 ( -7.629 0.226 -3.197) 8.275 3.055 ( -0.952 0.153 0.868) 1.298 3.160 ( -6.328 -0.137 -5.504) 8.387 3.303 ( -5.176 -0.056 1.593) 5.416 3.345 ( -5.227 -0.526 -0.938) 5.336 3.602 ( 1.930 0.008 2.344) 3.036 3.735 ( 1.752 0.228 -2.809) 3.318 3.791 ( 3.897 -0.380 8.249) 9.131 3.902 ( -0.201 0.007 0.012) 0.202 3.963 ( -0.443 -0.025 -0.563) 0.717 3.971 ( 2.488 0.045 1.929) 3.148 4.176 ( -7.610 -0.396 8.222) 11.210 4.233 ( -0.831 -1.434 4.883) 5.156 4.998 ( 2.808 0.122 6.157) 6.768 5.348 ( 1.924 -0.017 -8.151) 8.375 5.648 ( 4.291 -0.015 3.211) 5.359 5.678 ( 2.714 0.113 0.793) 2.830 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 2.375 5.641) 6.121 0.676 ( 0.000 4.377 6.975) 8.235 0.724 ( 0.000 5.966 -1.895) 6.260 0.829 ( -0.000 -1.746 15.964) 16.059 1.002 ( 0.000 1.402 -5.487) 5.663 1.145 ( 0.000 0.677 1.658) 1.791 1.239 ( -0.000 -0.609 1.548) 1.664 1.257 ( -0.000 -0.860 7.324) 7.374 1.321 ( -0.000 -2.882 -1.309) 3.165 1.399 ( -0.000 -4.473 2.528) 5.138 1.590 ( -0.000 -0.686 1.635) 1.773 1.651 ( -0.000 -1.046 -5.216) 5.319 1.708 ( 0.000 0.372 -2.409) 2.438 1.762 ( 0.000 0.371 -5.408) 5.421 1.856 ( 0.000 0.000 7.636) 7.636 2.088 ( 0.000 1.150 -2.542) 2.790 2.119 ( 0.000 0.138 5.831) 5.833 2.697 ( 0.000 0.487 -15.034) 15.042 2.748 ( 0.000 0.074 0.971) 0.973 2.807 ( 0.000 0.103 -1.182) 1.186 3.038 ( 0.000 0.129 0.338) 0.362 3.040 ( 0.000 0.093 0.296) 0.310 3.252 ( 0.000 0.146 1.981) 1.986 3.320 ( -0.000 -0.257 -2.474) 2.487 3.622 ( 0.000 0.058 2.306) 2.307 3.751 ( 0.000 0.528 -2.753) 2.803 3.864 ( -0.000 -1.559 10.936) 11.047 3.894 ( 0.000 0.031 0.594) 0.595 3.926 ( 0.000 0.048 -0.559) 0.561 3.990 ( 0.000 0.083 3.462) 3.463 4.099 ( -0.000 -0.619 8.399) 8.422 4.242 ( -0.000 -1.951 2.701) 3.332 5.025 ( 0.000 0.306 6.138) 6.145 5.364 ( -0.000 -0.199 -7.549) 7.551 5.694 ( 0.000 0.512 1.911) 1.978 5.707 ( -0.000 -0.291 1.322) 1.353 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 0.000 0.000 5.177) 5.177 0.699 ( 0.000 0.000 6.703) 6.703 0.768 ( 0.000 0.000 -6.682) 6.682 0.808 ( 0.000 0.000 21.330) 21.330 1.009 ( 0.000 0.000 -5.029) 5.029 1.149 ( 0.000 0.000 1.041) 1.041 1.236 ( 0.000 0.000 0.960) 0.960 1.256 ( 0.000 0.000 8.253) 8.253 1.305 ( -0.000 -0.000 -1.092) 1.092 1.374 ( 0.000 0.000 2.589) 2.589 1.587 ( 0.000 0.000 1.723) 1.723 1.645 ( 0.000 0.000 -5.465) 5.465 1.710 ( 0.000 0.000 -2.503) 2.503 1.764 ( 0.000 0.000 -5.344) 5.344 1.856 ( 0.000 0.000 7.957) 7.957 2.094 ( 0.000 0.000 -2.467) 2.467 2.119 ( 0.000 0.000 6.397) 6.397 2.700 ( 0.000 0.000 -14.797) 14.797 2.749 ( 0.000 0.000 0.968) 0.968 2.807 ( 0.000 0.000 -1.190) 1.190 3.039 ( 0.000 0.000 0.332) 0.332 3.041 ( 0.000 0.000 0.297) 0.297 3.253 ( 0.000 0.000 1.990) 1.990 3.319 ( 0.000 0.000 -2.471) 2.471 3.622 ( 0.000 0.000 2.363) 2.363 3.754 ( 0.000 0.000 -2.835) 2.835 3.856 ( 0.000 0.000 11.244) 11.244 3.894 ( 0.000 0.000 0.599) 0.599 3.927 ( 0.000 0.000 -0.558) 0.558 3.990 ( 0.000 0.000 3.639) 3.639 4.096 ( 0.000 0.000 8.048) 8.048 4.232 ( 0.000 0.000 2.653) 2.653 5.026 ( 0.000 0.000 6.161) 6.161 5.363 ( 0.000 0.000 -7.382) 7.382 5.697 ( 0.000 0.000 2.123) 2.123 5.706 ( 0.000 0.000 1.013) 1.013 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 0.000 0.000 -9.838) 9.838 0.408 ( 0.000 0.000 9.838) 9.838 0.665 ( 0.000 0.000 -13.269) 13.269 0.665 ( 0.000 0.000 13.269) 13.269 1.105 ( 0.000 0.000 -11.280) 11.280 1.105 ( 0.000 0.000 11.280) 11.280 1.396 ( 0.000 0.000 -4.364) 4.364 1.396 ( 0.000 0.000 4.364) 4.364 1.551 ( 0.000 0.000 -10.857) 10.857 1.551 ( 0.000 0.000 10.857) 10.857 1.653 ( 0.000 0.000 -0.790) 0.790 1.653 ( 0.000 0.000 0.790) 0.790 1.740 ( 0.000 0.000 -1.884) 1.884 1.740 ( 0.000 0.000 1.884) 1.884 1.839 ( 0.000 0.000 -3.379) 3.379 1.839 ( 0.000 0.000 3.379) 3.379 2.266 ( 0.000 0.000 -14.748) 14.748 2.266 ( 0.000 0.000 14.748) 14.748 2.771 ( 0.000 0.000 -1.412) 1.412 2.771 ( 0.000 0.000 1.412) 1.412 3.036 ( 0.000 0.000 -0.123) 0.123 3.036 ( 0.000 0.000 0.123) 0.123 3.287 ( 0.000 0.000 -2.816) 2.816 3.287 ( 0.000 0.000 2.816) 2.816 3.662 ( 0.000 0.000 -2.379) 2.379 3.662 ( 0.000 0.000 2.379) 2.379 3.907 ( 0.000 0.000 -0.785) 0.785 3.907 ( 0.000 0.000 0.785) 0.785 3.984 ( 0.000 0.000 -1.189) 1.189 3.984 ( 0.000 0.000 1.189) 1.189 4.394 ( 0.000 0.000 -7.282) 7.282 4.394 ( 0.000 0.000 7.282) 7.282 5.164 ( 0.000 0.000 -8.661) 8.661 5.164 ( 0.000 0.000 8.661) 8.661 5.737 ( 0.000 0.000 -2.938) 2.938 5.737 ( 0.000 0.000 2.938) 2.938 ======================= Grid point 304 (88/129) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 9.837 -0.705 -6.683) 11.913 0.513 ( 9.837 -0.705 6.683) 11.913 0.736 ( 6.051 -1.395 -9.753) 11.562 0.736 ( 6.051 -1.395 9.753) 11.562 1.193 ( 8.089 -0.180 -8.033) 11.401 1.193 ( 8.089 -0.180 8.033) 11.401 1.403 ( 1.356 1.263 -2.225) 2.895 1.403 ( 1.356 1.263 2.225) 2.895 1.547 ( -0.177 -0.040 -8.976) 8.978 1.547 ( -0.177 -0.040 8.976) 8.978 1.682 ( 1.682 -0.051 -1.330) 2.145 1.682 ( 1.682 -0.051 1.330) 2.145 1.764 ( 3.131 3.876 -2.903) 5.766 1.764 ( 3.131 3.876 2.903) 5.766 1.864 ( 3.046 -3.818 -2.005) 5.280 1.864 ( 3.046 -3.818 2.005) 5.280 2.220 ( -3.635 -0.609 -15.635) 16.064 2.220 ( -3.635 -0.609 15.635) 16.064 2.821 ( 4.693 -0.117 -1.680) 4.985 2.821 ( 4.693 -0.117 1.680) 4.985 3.054 ( 1.108 -0.197 -2.143) 2.421 3.054 ( 1.108 -0.197 2.143) 2.421 3.357 ( 6.425 0.237 -2.795) 7.011 3.357 ( 6.425 0.237 2.795) 7.011 3.650 ( -1.242 -0.114 -2.577) 2.863 3.650 ( -1.242 -0.114 2.577) 2.863 3.888 ( -1.945 -0.042 -0.668) 2.056 3.888 ( -1.945 -0.042 0.668) 2.056 3.959 ( -2.207 -0.149 -0.772) 2.343 3.959 ( -2.207 -0.149 0.772) 2.343 4.422 ( 2.615 1.023 -7.773) 8.264 4.422 ( 2.615 1.023 7.773) 8.264 5.140 ( -2.537 -0.202 -8.541) 8.912 5.140 ( -2.537 -0.202 8.541) 8.912 5.702 ( -3.086 0.229 -1.652) 3.507 5.702 ( -3.086 0.229 1.652) 3.507 ======================= Grid point 306 (89/129) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 13.220 1.019 -3.316) 13.667 0.745 ( 13.220 1.019 3.316) 13.667 0.879 ( 7.458 -1.695 -3.218) 8.298 0.879 ( 7.458 -1.695 3.218) 8.298 1.308 ( 1.744 -1.467 -1.552) 2.758 1.308 ( 1.744 -1.467 1.552) 2.758 1.488 ( 6.987 6.197 -2.697) 9.721 1.488 ( 6.987 6.197 2.697) 9.721 1.564 ( 4.189 -0.687 -8.406) 9.418 1.564 ( 4.189 -0.687 8.406) 9.418 1.693 ( -0.055 -3.119 -1.497) 3.461 1.693 ( -0.055 -3.119 1.497) 3.461 1.805 ( 2.711 1.563 -4.941) 5.848 1.805 ( 2.711 1.563 4.941) 5.848 2.014 ( 9.502 -1.577 -0.544) 9.647 2.014 ( 9.502 -1.577 0.544) 9.647 2.166 ( -2.053 -0.926 -14.678) 14.850 2.166 ( -2.053 -0.926 14.678) 14.850 2.930 ( 5.823 -0.308 -2.398) 6.305 2.930 ( 5.823 -0.308 2.398) 6.305 3.071 ( 0.672 -0.465 -3.044) 3.151 3.071 ( 0.672 -0.465 3.044) 3.151 3.480 ( 5.136 0.343 -1.841) 5.467 3.480 ( 5.136 0.343 1.841) 5.467 3.620 ( -1.646 0.052 -3.074) 3.488 3.620 ( -1.646 0.052 3.074) 3.488 3.820 ( -4.703 0.034 -1.105) 4.831 3.820 ( -4.703 0.034 1.105) 4.831 3.940 ( 0.550 -0.188 -0.298) 0.653 3.940 ( 0.550 -0.188 0.298) 0.653 4.465 ( 2.154 1.322 -6.384) 6.866 4.465 ( 2.154 1.322 6.384) 6.866 5.066 ( -5.270 -0.309 -7.708) 9.343 5.066 ( -5.270 -0.309 7.708) 9.343 5.637 ( -3.171 0.386 -0.286) 3.207 5.637 ( -3.171 0.386 0.286) 3.207 ======================= Grid point 308 (90/129) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 7.466 -0.273 -1.885) 7.705 0.961 ( 7.466 -0.273 1.885) 7.705 1.033 ( 9.740 3.374 -5.093) 11.497 1.033 ( 9.740 3.374 5.093) 11.497 1.352 ( 2.875 -3.742 -1.298) 4.894 1.352 ( 2.875 -3.742 1.298) 4.894 1.498 ( 0.084 5.628 -1.668) 5.870 1.498 ( 0.084 5.628 1.668) 5.870 1.609 ( -1.104 -0.288 -1.740) 2.081 1.609 ( -1.104 -0.288 1.740) 2.081 1.813 ( 2.978 -1.533 -4.698) 5.770 1.813 ( 2.978 -1.533 4.698) 5.770 1.891 ( 11.624 -1.025 -3.061) 12.064 1.891 ( 11.624 -1.025 3.061) 12.064 2.121 ( -0.612 -0.481 -17.169) 17.186 2.121 ( -0.612 -0.481 17.169) 17.186 2.212 ( 6.867 -0.802 -2.574) 7.377 2.212 ( 6.867 -0.802 2.574) 7.377 3.017 ( 2.448 -0.035 -3.170) 4.005 3.017 ( 2.448 -0.035 3.170) 4.005 3.100 ( 2.541 -0.417 -2.880) 3.863 3.100 ( 2.541 -0.417 2.880) 3.863 3.507 ( -1.695 0.094 -0.024) 1.697 3.507 ( -1.695 0.094 0.024) 1.697 3.597 ( -1.286 0.295 -1.366) 1.899 3.597 ( -1.286 0.295 1.366) 1.899 3.762 ( -0.217 0.184 -2.744) 2.759 3.762 ( -0.217 0.184 2.744) 2.759 3.964 ( 1.341 0.038 -0.491) 1.429 3.964 ( 1.341 0.038 0.491) 1.429 4.492 ( 1.399 1.115 -3.281) 3.737 4.492 ( 1.399 1.115 3.281) 3.737 4.947 ( -7.036 -0.281 -5.632) 9.017 4.947 ( -7.036 -0.281 5.632) 9.017 5.585 ( -1.934 0.559 -1.832) 2.722 5.585 ( -1.934 0.559 1.832) 2.722 ======================= Grid point 310 (91/129) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.381 0.104 -1.700) 1.745 1.024 ( 0.381 0.104 1.700) 1.745 1.205 ( 8.671 4.178 -4.511) 10.630 1.205 ( 8.671 4.178 4.511) 10.630 1.415 ( -0.287 -0.262 -0.855) 0.940 1.415 ( -0.287 -0.262 0.855) 0.940 1.517 ( 6.280 0.525 -0.744) 6.345 1.517 ( 6.280 0.525 0.744) 6.345 1.594 ( -0.519 -0.704 -1.548) 1.778 1.594 ( -0.519 -0.704 1.548) 1.778 1.814 ( -1.594 -0.471 -3.683) 4.041 1.814 ( -1.594 -0.471 3.683) 4.041 2.091 ( 0.067 0.193 -16.459) 16.461 2.091 ( 0.067 0.193 16.459) 16.461 2.152 ( 9.772 -0.286 -3.719) 10.460 2.152 ( 9.772 -0.286 3.719) 10.460 2.307 ( 2.326 -1.773 -1.301) 3.201 2.307 ( 2.326 -1.773 1.301) 3.201 3.011 ( -2.585 0.447 -3.104) 4.064 3.011 ( -2.585 0.447 3.104) 4.064 3.178 ( 5.383 0.086 -3.053) 6.189 3.178 ( 5.383 0.086 3.053) 6.189 3.479 ( -0.385 0.033 -0.598) 0.712 3.479 ( -0.385 0.033 0.598) 0.712 3.562 ( -1.698 0.366 -0.036) 1.738 3.562 ( -1.698 0.366 0.036) 1.738 3.787 ( 1.864 0.106 -3.538) 4.000 3.787 ( 1.864 0.106 3.538) 4.000 3.977 ( -0.085 0.170 -0.492) 0.528 3.977 ( -0.085 0.170 0.492) 0.528 4.511 ( 1.116 0.797 -0.293) 1.402 4.511 ( 1.116 0.797 0.293) 1.402 4.813 ( -6.723 -0.199 -2.550) 7.193 4.813 ( -6.723 -0.199 2.550) 7.193 5.555 ( -0.974 0.605 -2.990) 3.202 5.555 ( -0.974 0.605 2.990) 3.202 ======================= Grid point 312 (92/129) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -1.564 -0.460 -1.288) 2.077 1.008 ( -1.564 -0.460 1.288) 2.077 1.281 ( 1.076 2.637 -4.712) 5.506 1.281 ( 1.076 2.637 4.712) 5.506 1.439 ( 4.478 2.124 -0.302) 4.965 1.439 ( 4.478 2.124 0.302) 4.965 1.579 ( -0.933 -1.011 -3.131) 3.420 1.579 ( -0.933 -1.011 3.131) 3.420 1.640 ( 2.505 -0.745 -0.509) 2.662 1.640 ( 2.505 -0.745 0.509) 2.662 1.802 ( 1.788 -0.587 -1.447) 2.374 1.802 ( 1.788 -0.587 1.447) 2.374 2.064 ( -1.680 0.607 -20.777) 20.853 2.064 ( -1.680 0.607 20.777) 20.853 2.262 ( 0.721 0.194 -0.728) 1.043 2.262 ( 0.721 0.194 0.728) 1.043 2.366 ( 3.350 -1.603 -1.472) 3.995 2.366 ( 3.350 -1.603 1.472) 3.995 2.950 ( -2.641 0.286 -2.938) 3.961 2.950 ( -2.641 0.286 2.938) 3.961 3.288 ( 5.450 0.561 -3.452) 6.475 3.288 ( 5.450 0.561 3.452) 6.475 3.487 ( 0.783 0.164 -1.426) 1.635 3.487 ( 0.783 0.164 1.426) 1.635 3.533 ( -1.349 -0.088 -0.691) 1.518 3.533 ( -1.349 -0.088 0.691) 1.518 3.819 ( 1.516 0.071 -3.347) 3.675 3.819 ( 1.516 0.071 3.347) 3.675 3.960 ( -1.353 0.118 -0.079) 1.361 3.960 ( -1.353 0.118 0.079) 1.361 4.528 ( 1.042 0.481 -4.153) 4.309 4.528 ( 1.042 0.481 4.153) 4.309 4.702 ( -4.540 -0.147 -1.767) 4.874 4.702 ( -4.540 -0.147 1.767) 4.874 5.539 ( -0.421 0.404 -3.656) 3.702 5.539 ( -0.421 0.404 3.656) 3.702 ======================= Grid point 314 (93/129) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.000 -0.000 -1.854) 1.854 0.990 ( 0.000 -0.000 1.854) 1.854 1.278 ( 0.000 -0.000 -5.241) 5.241 1.278 ( 0.000 -0.000 5.241) 5.241 1.501 ( -0.000 -0.000 -0.241) 0.241 1.501 ( -0.000 -0.000 0.241) 0.241 1.561 ( 0.000 -0.000 -0.801) 0.801 1.561 ( 0.000 -0.000 0.801) 0.801 1.642 ( 0.000 -0.000 -2.753) 2.753 1.642 ( 0.000 -0.000 2.753) 2.753 1.851 ( 0.000 -0.000 -2.067) 2.067 1.851 ( 0.000 -0.000 2.067) 2.067 2.038 ( 0.000 -0.000 -21.378) 21.378 2.038 ( 0.000 -0.000 21.378) 21.378 2.257 ( 0.000 -0.000 -0.466) 0.466 2.257 ( 0.000 -0.000 0.466) 0.466 2.405 ( 0.000 -0.000 -1.545) 1.545 2.405 ( 0.000 -0.000 1.545) 1.545 2.924 ( 0.000 -0.000 -3.118) 3.118 2.924 ( 0.000 -0.000 3.118) 3.118 3.348 ( 0.000 -0.000 -3.798) 3.798 3.348 ( 0.000 -0.000 3.798) 3.798 3.496 ( 0.000 -0.000 -0.464) 0.464 3.496 ( 0.000 -0.000 0.464) 0.464 3.515 ( 0.000 -0.000 -1.162) 1.162 3.515 ( 0.000 -0.000 1.162) 1.162 3.837 ( 0.000 -0.000 -3.639) 3.639 3.837 ( 0.000 -0.000 3.639) 3.639 3.941 ( 0.000 -0.000 -0.521) 0.521 3.941 ( 0.000 -0.000 0.521) 0.521 4.540 ( 0.000 -0.000 -7.774) 7.774 4.540 ( 0.000 -0.000 7.774) 7.774 4.655 ( 0.000 -0.000 -5.455) 5.455 4.655 ( 0.000 -0.000 5.455) 5.455 5.534 ( 0.000 -0.000 -3.865) 3.865 5.534 ( 0.000 -0.000 3.865) 3.865 ======================= Grid point 330 (94/129) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 13.500 0.000 -2.420) 13.715 0.751 ( 13.500 0.000 2.420) 13.715 0.870 ( 8.050 0.000 -3.202) 8.663 0.870 ( 8.050 0.000 3.202) 8.663 1.301 ( 1.565 0.000 -1.003) 1.859 1.301 ( 1.565 0.000 1.003) 1.859 1.527 ( 8.239 0.000 -2.773) 8.693 1.527 ( 8.239 0.000 2.773) 8.693 1.556 ( 4.678 0.000 -9.327) 10.434 1.556 ( 4.678 0.000 9.327) 10.434 1.675 ( -2.195 -0.000 -1.516) 2.668 1.675 ( -2.195 -0.000 1.516) 2.668 1.813 ( 2.074 0.000 -5.075) 5.483 1.813 ( 2.074 0.000 5.075) 5.483 2.006 ( 10.193 0.000 -0.402) 10.201 2.006 ( 10.193 0.000 0.402) 10.201 2.162 ( -1.891 -0.000 -14.630) 14.752 2.162 ( -1.891 -0.000 14.630) 14.752 2.928 ( 5.852 0.000 -2.340) 6.302 2.928 ( 5.852 0.000 2.340) 6.302 3.069 ( 0.692 0.000 -3.064) 3.141 3.069 ( 0.692 0.000 3.064) 3.141 3.482 ( 5.030 0.000 -1.869) 5.366 3.482 ( 5.030 0.000 1.869) 5.366 3.620 ( -1.564 -0.000 -3.045) 3.423 3.620 ( -1.564 -0.000 3.045) 3.423 3.820 ( -4.665 -0.000 -0.978) 4.766 3.820 ( -4.665 -0.000 0.978) 4.766 3.939 ( 0.604 0.000 -0.294) 0.671 3.939 ( 0.604 0.000 0.294) 0.671 4.471 ( 1.986 0.000 -6.744) 7.030 4.471 ( 1.986 0.000 6.744) 7.030 5.065 ( -5.244 -0.000 -7.639) 9.265 5.065 ( -5.244 -0.000 7.639) 9.265 5.639 ( -3.169 -0.000 -0.254) 3.179 5.639 ( -3.169 -0.000 0.254) 3.179 ======================= Grid point 332 (95/129) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 6.755 -0.220 -2.341) 7.153 0.958 ( 6.755 -0.220 2.341) 7.153 1.060 ( 11.939 1.667 -4.694) 12.937 1.060 ( 11.939 1.667 4.694) 12.937 1.323 ( 1.729 -1.719 -0.725) 2.544 1.323 ( 1.729 -1.719 0.725) 2.544 1.542 ( -0.045 2.646 -1.826) 3.215 1.542 ( -0.045 2.646 1.826) 3.215 1.607 ( -2.516 -0.174 -0.681) 2.612 1.607 ( -2.516 -0.174 0.681) 2.612 1.796 ( 5.724 -1.256 -6.223) 8.548 1.796 ( 5.724 -1.256 6.223) 8.548 1.885 ( 10.129 -0.174 -3.625) 10.760 1.885 ( 10.129 -0.174 3.625) 10.760 2.118 ( -0.264 -0.202 -17.050) 17.053 2.118 ( -0.264 -0.202 17.050) 17.053 2.207 ( 6.828 -0.255 -2.305) 7.211 2.207 ( 6.828 -0.255 2.305) 7.211 3.017 ( 2.639 -0.014 -3.122) 4.088 3.017 ( 2.639 -0.014 3.122) 4.088 3.097 ( 2.683 -0.155 -2.885) 3.943 3.097 ( 2.683 -0.155 2.885) 3.943 3.508 ( -1.727 0.036 -0.044) 1.728 3.508 ( -1.727 0.036 0.044) 1.728 3.599 ( -1.282 0.105 -1.319) 1.843 3.599 ( -1.282 0.105 1.319) 1.843 3.763 ( -0.228 0.066 -2.861) 2.871 3.763 ( -0.228 0.066 2.861) 2.871 3.964 ( 1.426 0.014 -0.519) 1.518 3.964 ( 1.426 0.014 0.519) 1.518 4.499 ( 1.180 0.407 -3.550) 3.763 4.499 ( 1.180 0.407 3.550) 3.763 4.945 ( -6.981 -0.104 -5.429) 8.845 4.945 ( -6.981 -0.104 5.429) 8.845 5.589 ( -1.937 0.209 -1.929) 2.742 5.589 ( -1.937 0.209 1.929) 2.742 ======================= Grid point 334 (96/129) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.602 0.175 -1.192) 1.347 1.025 ( 0.602 0.175 1.192) 1.347 1.244 ( 7.579 3.439 -4.080) 9.269 1.244 ( 7.579 3.439 4.080) 9.269 1.396 ( 2.973 -2.775 -1.291) 4.267 1.396 ( 2.973 -2.775 1.291) 4.267 1.534 ( 2.646 2.095 -1.401) 3.654 1.534 ( 2.646 2.095 1.401) 3.654 1.589 ( 0.289 -0.293 -1.634) 1.685 1.589 ( 0.289 -0.293 1.634) 1.685 1.807 ( -1.716 -0.656 -3.340) 3.812 1.807 ( -1.716 -0.656 3.340) 3.812 2.092 ( 0.615 0.131 -15.654) 15.666 2.092 ( 0.615 0.131 15.654) 15.666 2.149 ( 10.319 -0.216 -5.164) 11.541 2.149 ( 10.319 -0.216 5.164) 11.541 2.293 ( 1.737 -1.025 -1.511) 2.521 2.293 ( 1.737 -1.025 1.511) 2.521 3.015 ( -2.518 0.250 -3.052) 3.964 3.015 ( -2.518 0.250 3.052) 3.964 3.179 ( 5.643 0.057 -3.008) 6.395 3.179 ( 5.643 0.057 3.008) 6.395 3.479 ( -0.395 0.018 -0.634) 0.748 3.479 ( -0.395 0.018 0.634) 0.748 3.565 ( -1.766 0.205 -0.033) 1.778 3.565 ( -1.766 0.205 0.033) 1.778 3.787 ( 1.827 0.063 -3.585) 4.024 3.787 ( 1.827 0.063 3.585) 4.024 3.978 ( -0.088 0.100 -0.507) 0.524 3.978 ( -0.088 0.100 0.507) 0.524 4.517 ( 0.935 0.455 -0.194) 1.057 4.517 ( 0.935 0.455 0.194) 1.057 4.811 ( -6.680 -0.114 -2.194) 7.032 4.811 ( -6.680 -0.114 2.194) 7.032 5.560 ( -1.041 0.352 -3.134) 3.322 5.560 ( -1.041 0.352 3.134) 3.322 ======================= Grid point 336 (97/129) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -1.891 -0.211 -1.510) 2.429 1.004 ( -1.891 -0.211 1.510) 2.429 1.306 ( 0.706 2.281 -4.101) 4.745 1.306 ( 0.706 2.281 4.101) 4.745 1.454 ( 4.024 0.899 -1.030) 4.250 1.454 ( 4.024 0.899 1.030) 4.250 1.568 ( -0.615 -0.949 -3.315) 3.502 1.568 ( -0.615 -0.949 3.315) 3.502 1.638 ( 2.228 0.214 -0.667) 2.335 1.638 ( 2.228 0.214 0.667) 2.335 1.795 ( 2.007 -0.706 -1.154) 2.420 1.795 ( 2.007 -0.706 1.154) 2.420 2.070 ( -1.710 0.484 -20.465) 20.542 2.070 ( -1.710 0.484 20.465) 20.542 2.262 ( -0.157 -0.175 -0.886) 0.916 2.262 ( -0.157 -0.175 0.886) 0.916 2.353 ( 4.771 -0.965 -1.203) 5.015 2.353 ( 4.771 -0.965 1.203) 5.015 2.953 ( -2.829 0.219 -2.821) 4.001 2.953 ( -2.829 0.219 2.821) 4.001 3.293 ( 5.475 0.400 -3.475) 6.497 3.293 ( 5.475 0.400 3.475) 6.497 3.488 ( 0.907 0.119 -1.580) 1.825 3.488 ( 0.907 0.119 1.580) 1.825 3.532 ( -1.670 -0.070 -0.562) 1.763 3.532 ( -1.670 -0.070 0.562) 1.763 3.819 ( 1.504 0.054 -3.360) 3.681 3.819 ( 1.504 0.054 3.360) 3.681 3.961 ( -1.402 0.088 -0.056) 1.406 3.961 ( -1.402 0.088 0.056) 1.406 4.532 ( 0.859 0.342 -4.345) 4.442 4.532 ( 0.859 0.342 4.345) 4.442 4.701 ( -4.504 -0.098 -2.123) 4.981 4.701 ( -4.504 -0.098 2.123) 4.981 5.543 ( -0.584 0.296 -3.758) 3.815 5.543 ( -0.584 0.296 3.758) 3.815 ======================= Grid point 338 (98/129) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.312 -0.530 -1.714) 1.821 0.987 ( 0.312 -0.530 1.714) 1.821 1.287 ( -1.098 1.708 -5.158) 5.544 1.287 ( -1.098 1.708 5.158) 5.544 1.493 ( -2.517 -1.430 -0.373) 2.919 1.493 ( -2.517 -1.430 0.373) 2.919 1.562 ( 1.300 0.162 -0.594) 1.438 1.562 ( 1.300 0.162 0.594) 1.438 1.642 ( 0.545 -0.100 -2.766) 2.821 1.642 ( 0.545 -0.100 2.766) 2.821 1.852 ( 0.565 0.300 -1.851) 1.958 1.852 ( 0.565 0.300 1.851) 1.958 2.038 ( -0.522 0.011 -21.520) 21.526 2.038 ( -0.522 0.011 21.520) 21.526 2.254 ( 0.114 -0.472 -0.414) 0.638 2.254 ( 0.114 -0.472 0.414) 0.638 2.407 ( 0.621 0.388 -1.576) 1.738 2.407 ( 0.621 0.388 1.576) 1.738 2.924 ( -0.089 -0.007 -3.124) 3.125 2.924 ( -0.089 -0.007 3.124) 3.125 3.347 ( -0.564 -0.067 -3.791) 3.834 3.347 ( -0.564 -0.067 3.791) 3.834 3.496 ( -0.440 0.090 -0.596) 0.746 3.496 ( -0.440 0.090 0.596) 0.746 3.515 ( 0.600 -0.047 -1.339) 1.468 3.515 ( 0.600 -0.047 1.339) 1.468 3.837 ( -0.052 0.006 -3.639) 3.639 3.837 ( -0.052 0.006 3.639) 3.639 3.941 ( -0.065 -0.005 -0.520) 0.524 3.941 ( -0.065 -0.005 0.520) 0.524 4.540 ( -0.301 -0.025 -7.757) 7.762 4.540 ( -0.301 -0.025 7.757) 7.762 4.655 ( 0.128 0.028 -5.436) 5.438 4.655 ( 0.128 0.028 5.436) 5.438 5.534 ( -0.220 -0.000 -3.865) 3.871 5.534 ( -0.220 -0.000 3.865) 3.871 ======================= Grid point 340 (99/129) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 1.686 0.568 -0.934) 2.010 1.013 ( 1.686 0.568 0.934) 2.010 1.258 ( -2.275 -1.812 -5.412) 6.144 1.258 ( -2.275 -1.812 5.412) 6.144 1.412 ( -5.095 -3.194 -1.009) 6.097 1.412 ( -5.095 -3.194 1.009) 6.097 1.586 ( 0.686 0.384 -2.604) 2.720 1.586 ( 0.686 0.384 2.604) 2.720 1.654 ( -1.131 2.159 -0.949) 2.616 1.654 ( -1.131 2.159 0.949) 2.616 1.805 ( -2.234 0.088 -1.646) 2.776 1.805 ( -2.234 0.088 1.646) 2.776 2.059 ( 1.652 -0.559 -21.185) 21.257 2.059 ( 1.652 -0.559 21.185) 21.257 2.258 ( -1.297 -0.544 -0.506) 1.495 2.258 ( -1.297 -0.544 0.506) 1.495 2.383 ( -2.169 1.797 -1.701) 3.290 2.383 ( -2.169 1.797 1.701) 3.290 2.947 ( 2.425 -0.272 -3.069) 3.921 2.947 ( 2.425 -0.272 3.069) 3.921 3.282 ( -5.394 -0.580 -3.416) 6.411 3.282 ( -5.394 -0.580 3.416) 6.411 3.485 ( -0.694 -0.165 -1.238) 1.429 3.485 ( -0.694 -0.165 1.238) 1.429 3.534 ( 1.011 0.080 -0.835) 1.314 3.534 ( 1.011 0.080 0.835) 1.314 3.818 ( -1.532 -0.068 -3.329) 3.665 3.818 ( -1.532 -0.068 3.329) 3.665 3.959 ( 1.300 -0.115 -0.086) 1.308 3.959 ( 1.300 -0.115 0.086) 1.308 4.523 ( -1.249 -0.496 -3.947) 4.170 4.523 ( -1.249 -0.496 3.947) 4.170 4.704 ( 4.573 0.160 -1.348) 4.771 4.704 ( 4.573 0.160 1.348) 4.771 5.535 ( 0.235 -0.402 -3.529) 3.560 5.535 ( 0.235 -0.402 3.529) 3.560 ======================= Grid point 342 (100/129) ======================= q-point: (-0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.420 0.306 -1.939) 2.007 1.024 ( -0.420 0.306 1.939) 2.007 1.164 ( -9.256 -4.032 -4.836) 11.194 1.164 ( -9.256 -4.032 4.836) 11.194 1.396 ( 1.272 -3.554 -1.210) 3.964 1.396 ( 1.272 -3.554 1.210) 3.964 1.527 ( -7.224 1.879 -0.825) 7.510 1.527 ( -7.224 1.879 0.825) 7.510 1.606 ( 0.495 1.925 -1.738) 2.640 1.606 ( 0.495 1.925 1.738) 2.640 1.815 ( 1.389 -0.301 -4.039) 4.282 1.815 ( 1.389 -0.301 4.039) 4.282 2.089 ( 0.624 -0.170 -17.457) 17.469 2.089 ( 0.624 -0.170 17.457) 17.469 2.154 ( -9.082 0.197 -1.999) 9.302 2.154 ( -9.082 0.197 1.999) 9.302 2.327 ( -2.989 2.031 -1.002) 3.750 2.327 ( -2.989 2.031 1.002) 3.750 3.006 ( 2.660 -0.541 -3.156) 4.163 3.006 ( 2.660 -0.541 3.156) 4.163 3.178 ( -5.024 -0.079 -3.102) 5.905 3.178 ( -5.024 -0.079 3.102) 5.905 3.478 ( 0.388 -0.039 -0.542) 0.667 3.478 ( 0.388 -0.039 0.542) 0.667 3.558 ( 1.597 -0.442 -0.141) 1.663 3.558 ( 1.597 -0.442 0.141) 1.663 3.785 ( -1.915 -0.118 -3.468) 3.963 3.785 ( -1.915 -0.118 3.468) 3.963 3.975 ( 0.079 -0.192 -0.467) 0.511 3.975 ( 0.079 -0.192 0.467) 0.511 4.502 ( -1.364 -0.933 -0.360) 1.691 4.502 ( -1.364 -0.933 0.360) 1.691 4.815 ( 6.778 0.231 -2.965) 7.402 4.815 ( 6.778 0.231 2.965) 7.402 5.548 ( 0.887 -0.691 -2.768) 2.987 5.548 ( 0.887 -0.691 2.768) 2.987 ======================= Grid point 344 (101/129) ======================= q-point: (-0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -10.409 -1.901 -2.424) 10.855 0.956 ( -10.409 -1.901 2.424) 10.855 1.006 ( -5.053 -1.261 -4.419) 6.830 1.006 ( -5.053 -1.261 4.419) 6.830 1.387 ( -4.612 2.277 -0.652) 5.185 1.387 ( -4.612 2.277 0.652) 5.185 1.442 ( 0.062 -4.534 -2.478) 5.167 1.442 ( 0.062 -4.534 2.478) 5.167 1.614 ( 0.310 0.649 -2.499) 2.600 1.614 ( 0.310 0.649 2.499) 2.600 1.820 ( -1.633 -0.323 -4.124) 4.447 1.820 ( -1.633 -0.323 4.124) 4.447 1.907 ( -12.261 2.085 -1.670) 12.549 1.907 ( -12.261 2.085 1.670) 12.549 2.126 ( 1.094 0.494 -17.123) 17.165 2.126 ( 1.094 0.494 17.123) 17.165 2.223 ( -6.788 1.321 -2.848) 7.479 2.223 ( -6.788 1.321 2.848) 7.479 3.018 ( -2.102 0.041 -3.260) 3.879 3.018 ( -2.102 0.041 3.260) 3.879 3.105 ( -2.307 0.556 -2.864) 3.720 3.105 ( -2.307 0.556 2.864) 3.720 3.506 ( 1.639 -0.111 -0.050) 1.644 3.506 ( 1.639 -0.111 0.050) 1.644 3.593 ( 1.290 -0.424 -1.442) 1.981 3.593 ( 1.290 -0.424 1.442) 1.981 3.759 ( 0.194 -0.256 -2.525) 2.545 3.759 ( 0.194 -0.256 2.525) 2.545 3.963 ( -1.198 -0.054 -0.444) 1.279 3.963 ( -1.198 -0.054 0.444) 1.279 4.478 ( -1.772 -1.527 -2.807) 3.654 4.478 ( -1.772 -1.527 2.807) 3.654 4.950 ( 7.124 0.373 -5.954) 9.292 4.950 ( 7.124 0.373 5.954) 9.292 5.578 ( 1.942 -0.737 -1.634) 2.643 5.578 ( 1.942 -0.737 1.634) 2.643 ======================= Grid point 346 (102/129) ======================= q-point: (-0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -12.246 -1.250 -4.613) 13.145 0.733 ( -12.246 -1.250 4.613) 13.145 0.901 ( -6.087 2.683 -3.245) 7.401 0.901 ( -6.087 2.683 3.245) 7.401 1.326 ( -1.862 1.683 -2.102) 3.274 1.326 ( -1.862 1.683 2.102) 3.274 1.421 ( -6.440 -6.562 -3.998) 10.026 1.421 ( -6.440 -6.562 3.998) 10.026 1.569 ( -3.503 0.349 -8.394) 9.102 1.569 ( -3.503 0.349 8.394) 9.102 1.725 ( -2.424 2.951 -2.027) 4.324 1.725 ( -2.424 2.951 2.027) 4.324 1.784 ( -4.103 -2.672 -4.548) 6.683 1.784 ( -4.103 -2.672 4.548) 6.683 2.035 ( -8.084 2.404 -1.285) 8.531 2.035 ( -8.084 2.404 1.285) 8.531 2.179 ( 2.456 1.643 -14.844) 15.135 2.179 ( 2.456 1.643 14.844) 15.135 2.934 ( -5.743 0.543 -2.567) 6.314 2.934 ( -5.743 0.543 2.567) 6.314 3.078 ( -0.611 0.800 -2.984) 3.149 3.078 ( -0.611 0.800 2.984) 3.149 3.476 ( -5.427 -0.607 -1.756) 5.736 3.476 ( -5.427 -0.607 1.756) 5.736 3.619 ( 1.872 -0.085 -3.153) 3.668 3.619 ( 1.872 -0.085 3.153) 3.668 3.819 ( 4.807 -0.070 -1.404) 5.009 3.819 ( 4.807 -0.070 1.404) 5.009 3.943 ( -0.414 0.303 -0.314) 0.602 3.943 ( -0.414 0.303 0.314) 0.602 4.446 ( -2.592 -2.256 -5.416) 6.414 4.446 ( -2.592 -2.256 5.416) 6.414 5.071 ( 5.336 0.509 -7.880) 9.530 5.071 ( 5.336 0.509 7.880) 9.530 5.632 ( 3.198 -0.602 -0.354) 3.274 5.632 ( 3.198 -0.602 0.354) 3.274 ======================= Grid point 348 (103/129) ======================= q-point: (-0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -8.174 2.103 -6.296) 10.530 0.527 ( -8.174 2.103 6.296) 10.530 0.762 ( -6.009 3.718 -8.773) 11.265 0.762 ( -6.009 3.718 8.773) 11.265 1.196 ( -8.438 0.345 -7.003) 10.972 1.196 ( -8.438 0.345 7.003) 10.972 1.380 ( -0.259 -3.235 -3.172) 4.538 1.380 ( -0.259 -3.235 3.172) 4.538 1.548 ( 0.161 0.116 -9.102) 9.104 1.548 ( 0.161 0.116 9.102) 9.104 1.682 ( -2.281 -0.468 -1.786) 2.934 1.682 ( -2.281 -0.468 1.786) 2.934 1.716 ( -4.384 -4.777 -2.581) 6.978 1.716 ( -4.384 -4.777 2.581) 6.978 1.912 ( -2.126 4.963 -2.042) 5.772 1.912 ( -2.126 4.963 2.042) 5.772 2.232 ( 3.576 1.731 -15.657) 16.153 2.232 ( 3.576 1.731 15.657) 16.153 2.823 ( -4.804 0.322 -1.777) 5.132 2.823 ( -4.804 0.322 1.777) 5.132 3.058 ( -1.261 0.539 -2.131) 2.534 3.058 ( -1.261 0.539 2.131) 2.534 3.353 ( -6.284 -0.637 -2.521) 6.801 3.353 ( -6.284 -0.637 2.521) 6.801 3.653 ( 1.348 0.310 -2.672) 3.009 3.653 ( 1.348 0.310 2.672) 3.009 3.889 ( 1.960 0.117 -0.798) 2.119 3.889 ( 1.960 0.117 0.798) 2.119 3.961 ( 2.221 0.370 -0.768) 2.379 3.961 ( 2.221 0.370 0.768) 2.379 4.403 ( -2.892 -2.702 -6.652) 7.740 4.403 ( -2.892 -2.702 6.652) 7.740 5.144 ( 2.560 0.522 -8.575) 8.964 5.144 ( 2.560 0.522 8.575) 8.964 5.698 ( 3.046 -0.525 -1.375) 3.383 5.698 ( 3.046 -0.525 1.375) 3.383 ======================= Grid point 350 (104/129) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 3.753 -8.907) 9.666 0.428 ( 0.000 3.753 8.907) 9.666 0.678 ( 0.000 2.405 -12.844) 13.067 0.678 ( 0.000 2.405 12.844) 13.067 1.106 ( 0.000 0.225 -10.499) 10.501 1.106 ( 0.000 0.225 10.499) 10.501 1.389 ( -0.000 -1.363 -4.211) 4.426 1.389 ( -0.000 -1.363 4.211) 4.426 1.551 ( -0.000 -0.033 -10.782) 10.782 1.551 ( -0.000 -0.033 10.782) 10.782 1.653 ( -0.000 -0.096 -0.978) 0.983 1.653 ( -0.000 -0.096 0.978) 0.983 1.701 ( -0.000 -6.097 -0.599) 6.127 1.701 ( -0.000 -6.097 0.599) 6.127 1.874 ( 0.000 5.282 -2.639) 5.905 1.874 ( 0.000 5.282 2.639) 5.905 2.271 ( 0.000 0.974 -14.900) 14.932 2.271 ( 0.000 0.974 14.900) 14.932 2.772 ( 0.000 0.071 -1.416) 1.418 2.772 ( 0.000 0.071 1.416) 1.418 3.037 ( 0.000 0.106 -0.119) 0.159 3.037 ( 0.000 0.106 0.119) 0.159 3.287 ( -0.000 -0.126 -2.661) 2.664 3.287 ( -0.000 -0.126 2.661) 2.664 3.664 ( 0.000 0.330 -2.441) 2.463 3.664 ( 0.000 0.330 2.441) 2.463 3.907 ( 0.000 0.049 -0.787) 0.789 3.907 ( 0.000 0.049 0.787) 0.789 3.986 ( 0.000 0.308 -1.208) 1.247 3.986 ( 0.000 0.308 1.208) 1.247 4.383 ( -0.000 -2.250 -6.681) 7.049 4.383 ( -0.000 -2.250 6.681) 7.049 5.166 ( 0.000 0.406 -8.658) 8.667 5.166 ( 0.000 0.406 8.658) 8.667 5.734 ( -0.000 -0.485 -2.670) 2.714 5.734 ( -0.000 -0.485 2.670) 2.714 ======================= Grid point 356 (105/129) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.734 0.000 -0.862) 1.132 1.026 ( 0.734 0.000 0.862) 1.132 1.264 ( 6.806 0.000 -3.857) 7.823 1.264 ( 6.806 0.000 3.857) 7.823 1.378 ( 4.325 0.000 -1.223) 4.495 1.378 ( 4.325 0.000 1.223) 4.495 1.546 ( 1.038 0.000 -0.619) 1.209 1.546 ( 1.038 0.000 0.619) 1.209 1.588 ( 1.021 0.000 -1.201) 1.576 1.588 ( 1.021 0.000 1.201) 1.576 1.804 ( -1.745 -0.000 -3.209) 3.653 1.804 ( -1.745 -0.000 3.209) 3.653 2.093 ( 0.827 0.000 -15.350) 15.372 2.093 ( 0.827 0.000 15.350) 15.372 2.148 ( 10.526 0.000 -5.752) 11.995 2.148 ( 10.526 0.000 5.752) 11.995 2.288 ( 1.497 0.000 -1.580) 2.176 2.288 ( 1.497 0.000 1.580) 2.176 3.016 ( -2.490 -0.000 -3.030) 3.922 3.016 ( -2.490 -0.000 3.030) 3.922 3.179 ( 5.738 0.000 -2.989) 6.470 3.179 ( 5.738 0.000 2.989) 6.470 3.479 ( -0.401 -0.000 -0.647) 0.761 3.479 ( -0.401 -0.000 0.647) 0.761 3.566 ( -1.790 -0.000 -0.056) 1.791 3.566 ( -1.790 -0.000 0.056) 1.791 3.788 ( 1.814 0.000 -3.602) 4.033 3.788 ( 1.814 0.000 3.602) 4.033 3.979 ( -0.089 -0.000 -0.512) 0.520 3.979 ( -0.089 -0.000 0.512) 0.520 4.519 ( 0.868 0.000 -0.125) 0.877 4.519 ( 0.868 0.000 0.125) 0.877 4.810 ( -6.663 -0.000 -2.048) 6.971 4.810 ( -6.663 -0.000 2.048) 6.971 5.562 ( -1.067 -0.000 -3.184) 3.358 5.562 ( -1.067 -0.000 3.184) 3.358 ======================= Grid point 358 (106/129) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -2.225 -0.046 -1.587) 2.733 1.003 ( -2.225 -0.046 1.587) 2.733 1.323 ( 0.746 0.898 -3.705) 3.885 1.323 ( 0.746 0.898 3.705) 3.885 1.458 ( 3.982 0.180 -1.545) 4.274 1.458 ( 3.982 0.180 1.545) 4.274 1.562 ( -0.526 -0.332 -3.261) 3.320 1.562 ( -0.526 -0.332 3.261) 3.320 1.640 ( 1.505 0.200 -0.659) 1.655 1.640 ( 1.505 0.200 0.659) 1.655 1.789 ( 2.456 -0.322 -0.818) 2.608 1.789 ( 2.456 -0.322 0.818) 2.608 2.074 ( -1.728 0.188 -20.332) 20.406 2.074 ( -1.728 0.188 20.332) 20.406 2.260 ( -0.783 -0.147 -0.822) 1.144 2.260 ( -0.783 -0.147 0.822) 1.144 2.347 ( 5.719 -0.295 -0.946) 5.804 2.347 ( 5.719 -0.295 0.946) 5.804 2.954 ( -2.937 0.082 -2.751) 4.025 2.954 ( -2.937 0.082 2.751) 4.025 3.295 ( 5.480 0.144 -3.484) 6.495 3.295 ( 5.480 0.144 3.484) 6.495 3.489 ( 1.001 0.043 -1.665) 1.944 3.489 ( 1.001 0.043 1.665) 1.944 3.532 ( -1.870 -0.027 -0.486) 1.932 3.532 ( -1.870 -0.027 0.486) 1.932 3.820 ( 1.498 0.020 -3.366) 3.684 3.820 ( 1.498 0.020 3.366) 3.684 3.962 ( -1.432 0.033 -0.025) 1.433 3.962 ( -1.432 0.033 0.025) 1.433 4.535 ( 0.751 0.123 -4.461) 4.525 4.535 ( 0.751 0.123 4.461) 4.525 4.701 ( -4.480 -0.034 -2.329) 5.049 4.701 ( -4.480 -0.034 2.329) 5.049 5.545 ( -0.679 0.109 -3.814) 3.876 5.545 ( -0.679 0.109 3.814) 3.876 ======================= Grid point 360 (107/129) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.440 -0.497 -1.378) 1.530 0.981 ( 0.440 -0.497 1.378) 1.530 1.307 ( -1.568 1.969 -4.908) 5.516 1.307 ( -1.568 1.969 4.908) 5.516 1.476 ( -4.373 -1.744 -0.747) 4.767 1.476 ( -4.373 -1.744 0.747) 4.767 1.564 ( 2.011 0.209 -0.415) 2.064 1.564 ( 2.011 0.209 0.415) 2.064 1.641 ( 1.025 -0.115 -2.807) 2.990 1.641 ( 1.025 -0.115 2.807) 2.990 1.856 ( 0.922 0.287 -1.290) 1.611 1.856 ( 0.922 0.287 1.290) 1.611 2.038 ( -0.916 0.011 -21.819) 21.838 2.038 ( -0.916 0.011 21.819) 21.838 2.249 ( 0.221 -0.449 -0.489) 0.700 2.249 ( 0.221 -0.449 0.489) 0.700 2.411 ( 1.061 0.365 -1.620) 1.970 2.411 ( 1.061 0.365 1.620) 1.970 2.924 ( -0.155 -0.007 -3.135) 3.139 2.924 ( -0.155 -0.007 3.135) 3.139 3.347 ( -0.974 -0.066 -3.778) 3.902 3.347 ( -0.974 -0.066 3.778) 3.902 3.497 ( -0.854 0.095 -0.868) 1.221 3.497 ( -0.854 0.095 0.868) 1.221 3.514 ( 1.129 -0.053 -1.696) 2.038 3.514 ( 1.129 -0.053 1.696) 2.038 3.837 ( -0.091 0.006 -3.639) 3.641 3.837 ( -0.091 0.006 3.639) 3.641 3.941 ( -0.112 -0.005 -0.518) 0.530 3.941 ( -0.112 -0.005 0.518) 0.530 4.540 ( -0.520 -0.025 -7.722) 7.740 4.540 ( -0.520 -0.025 7.722) 7.740 4.655 ( 0.219 0.028 -5.400) 5.404 4.655 ( 0.219 0.028 5.400) 5.404 5.534 ( -0.380 -0.000 -3.865) 3.884 5.534 ( -0.380 -0.000 3.865) 3.884 ======================= Grid point 362 (108/129) ======================= q-point: (-0.58 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 2.358 0.374 -0.915) 2.557 1.018 ( 2.358 0.374 0.915) 2.557 1.247 ( -4.269 -0.317 -6.117) 7.466 1.247 ( -4.269 -0.317 6.117) 7.466 1.378 ( -5.255 -3.330 -1.790) 6.474 1.378 ( -5.255 -3.330 1.790) 6.474 1.587 ( 0.162 0.047 -2.257) 2.263 1.587 ( 0.162 0.047 2.257) 2.263 1.678 ( 1.179 2.438 -1.543) 3.117 1.678 ( 1.179 2.438 1.543) 3.117 1.803 ( -3.404 -0.443 -1.552) 3.767 1.803 ( -3.404 -0.443 1.552) 3.767 2.054 ( 1.640 -0.384 -21.519) 21.585 2.054 ( 1.640 -0.384 21.519) 21.585 2.252 ( -1.483 -0.554 -0.616) 1.699 2.252 ( -1.483 -0.554 0.616) 1.699 2.399 ( -1.483 1.381 -1.864) 2.753 2.399 ( -1.483 1.381 1.864) 2.753 2.945 ( 2.240 -0.192 -3.180) 3.894 2.945 ( 2.240 -0.192 3.180) 3.894 3.277 ( -5.323 -0.438 -3.377) 6.319 3.277 ( -5.323 -0.438 3.377) 6.319 3.484 ( -0.656 -0.122 -1.063) 1.255 3.484 ( -0.656 -0.122 1.063) 1.255 3.534 ( 0.741 0.054 -0.955) 1.210 3.534 ( 0.741 0.054 0.955) 1.210 3.817 ( -1.545 -0.049 -3.313) 3.656 3.817 ( -1.545 -0.049 3.313) 3.656 3.958 ( 1.258 -0.082 -0.076) 1.263 3.958 ( 1.258 -0.082 0.076) 1.263 4.519 ( -1.425 -0.372 -3.782) 4.059 4.519 ( -1.425 -0.372 3.782) 4.059 4.705 ( 4.595 0.125 -0.959) 4.696 4.705 ( 4.595 0.125 0.959) 4.696 5.532 ( 0.075 -0.294 -3.412) 3.425 5.532 ( 0.075 -0.294 3.412) 3.425 ======================= Grid point 364 (109/129) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.913 0.938 -1.771) 2.202 1.030 ( -0.913 0.938 1.771) 2.202 1.126 ( -9.213 -3.533 -4.869) 11.003 1.126 ( -9.213 -3.533 4.869) 11.003 1.357 ( 0.605 -3.782 -2.078) 4.357 1.357 ( 0.605 -3.782 2.078) 4.357 1.542 ( -5.552 1.068 -1.772) 5.925 1.542 ( -5.552 1.068 1.772) 5.925 1.633 ( -0.789 3.255 -1.965) 3.883 1.633 ( -0.789 3.255 1.965) 3.883 1.808 ( 1.262 -1.118 -4.211) 4.536 1.808 ( 1.262 -1.118 4.211) 4.536 2.088 ( 1.270 -0.102 -18.295) 18.340 2.088 ( 1.270 -0.102 18.295) 18.340 2.155 ( -8.462 0.064 -0.459) 8.474 2.155 ( -8.462 0.064 0.459) 8.474 2.346 ( -3.521 1.737 -0.730) 3.993 2.346 ( -3.521 1.737 0.730) 3.993 3.001 ( 2.714 -0.492 -3.187) 4.214 3.001 ( 2.714 -0.492 3.187) 4.214 3.177 ( -4.661 -0.049 -3.137) 5.618 3.177 ( -4.661 -0.049 3.137) 5.618 3.478 ( 0.411 -0.033 -0.469) 0.624 3.478 ( 0.411 -0.033 0.469) 0.624 3.554 ( 1.483 -0.402 -0.263) 1.559 3.554 ( 1.483 -0.402 0.263) 1.559 3.784 ( -1.965 -0.098 -3.392) 3.922 3.784 ( -1.965 -0.098 3.392) 3.922 3.973 ( 0.070 -0.163 -0.436) 0.471 3.973 ( 0.070 -0.163 0.436) 0.471 4.493 ( -1.611 -0.819 -0.399) 1.851 4.493 ( -1.611 -0.819 0.399) 1.851 4.817 ( 6.828 0.202 -3.327) 7.598 4.817 ( 6.828 0.202 3.327) 7.598 5.542 ( 0.806 -0.591 -2.510) 2.702 5.542 ( 0.806 -0.591 2.510) 2.702 ======================= Grid point 366 (110/129) ======================= q-point: (-0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -11.075 -3.390 -5.516) 12.828 0.926 ( -11.075 -3.390 5.516) 12.828 1.007 ( -2.810 0.964 -4.265) 5.198 1.007 ( -2.810 0.964 4.265) 5.198 1.363 ( -4.003 -5.065 -1.778) 6.696 1.363 ( -4.003 -5.065 1.778) 6.696 1.443 ( -1.582 2.678 -2.931) 4.274 1.443 ( -1.582 2.678 2.931) 4.274 1.623 ( -0.150 1.330 -2.439) 2.782 1.623 ( -0.150 1.330 2.439) 2.782 1.809 ( -2.222 -1.566 -4.188) 4.993 1.809 ( -2.222 -1.566 4.188) 4.993 1.928 ( -11.698 1.968 -1.427) 11.948 1.928 ( -11.698 1.968 1.427) 11.948 2.131 ( 1.482 0.335 -16.812) 16.880 2.131 ( 1.482 0.335 16.812) 16.880 2.237 ( -6.505 1.531 -2.999) 7.325 2.237 ( -6.505 1.531 2.999) 7.325 3.018 ( -1.677 0.032 -3.382) 3.775 3.018 ( -1.677 0.032 3.382) 3.775 3.110 ( -2.060 0.538 -2.839) 3.549 3.110 ( -2.060 0.538 2.839) 3.549 3.505 ( 1.577 -0.086 -0.093) 1.582 3.505 ( 1.577 -0.086 0.093) 1.582 3.589 ( 1.291 -0.456 -1.515) 2.041 3.589 ( 1.291 -0.456 1.515) 2.041 3.757 ( 0.161 -0.261 -2.243) 2.264 3.757 ( 0.161 -0.261 2.243) 2.264 3.963 ( -1.039 -0.058 -0.393) 1.112 3.963 ( -1.039 -0.058 0.393) 1.112 4.463 ( -2.192 -1.531 -2.246) 3.492 4.463 ( -2.192 -1.531 2.246) 3.492 4.954 ( 7.216 0.361 -6.289) 9.579 4.954 ( 7.216 0.361 6.289) 9.579 5.571 ( 1.971 -0.706 -1.339) 2.485 5.571 ( 1.971 -0.706 1.339) 2.485 ======================= Grid point 368 (111/129) ======================= q-point: (-0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -10.589 -0.907 -5.324) 11.887 0.722 ( -10.589 -0.907 5.324) 11.887 0.930 ( -4.543 3.102 -3.299) 6.415 0.930 ( -4.543 3.102 3.299) 6.415 1.314 ( -2.716 -5.253 -0.486) 5.934 1.314 ( -2.716 -5.253 0.486) 5.934 1.388 ( -5.765 1.028 -4.486) 7.377 1.388 ( -5.765 1.028 4.486) 7.377 1.573 ( -3.484 0.568 -7.953) 8.701 1.573 ( -3.484 0.568 7.953) 8.701 1.742 ( -3.929 -1.220 -2.017) 4.582 1.742 ( -3.929 -1.220 2.017) 4.582 1.761 ( -5.408 -0.140 -1.790) 5.698 1.761 ( -5.408 -0.140 1.790) 5.698 2.059 ( -6.781 2.299 -2.531) 7.595 2.059 ( -6.781 2.299 2.531) 7.595 2.198 ( 2.891 1.990 -15.117) 15.519 2.198 ( 2.891 1.990 15.117) 15.519 2.940 ( -5.633 0.645 -2.825) 6.334 2.940 ( -5.633 0.645 2.825) 6.334 3.086 ( -0.511 0.915 -2.888) 3.072 3.086 ( -0.511 0.915 2.888) 3.072 3.469 ( -5.831 -0.727 -1.609) 6.093 3.469 ( -5.831 -0.727 1.609) 6.093 3.618 ( 2.189 -0.094 -3.257) 3.926 3.618 ( 2.189 -0.094 3.257) 3.926 3.819 ( 4.950 -0.095 -1.749) 5.251 3.819 ( 4.950 -0.095 1.749) 5.251 3.946 ( -0.253 0.315 -0.341) 0.529 3.946 ( -0.253 0.315 0.341) 0.529 4.422 ( -3.139 -2.547 -4.124) 5.775 4.422 ( -3.139 -2.547 4.124) 5.775 5.076 ( 5.411 0.547 -8.078) 9.738 5.076 ( 5.411 0.547 8.078) 9.738 5.625 ( 3.280 -0.597 -0.421) 3.361 5.625 ( 3.280 -0.597 0.421) 3.361 ======================= Grid point 370 (112/129) ======================= q-point: (-0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -5.667 3.250 -5.263) 8.389 0.554 ( -5.667 3.250 5.263) 8.389 0.807 ( -5.738 5.042 -7.331) 10.587 0.807 ( -5.738 5.042 7.331) 10.587 1.197 ( -8.557 -0.412 -5.665) 10.270 1.197 ( -8.557 -0.412 5.665) 10.270 1.345 ( 0.731 -3.443 -3.817) 5.192 1.345 ( 0.731 -3.443 3.817) 5.192 1.549 ( 0.092 0.098 -9.107) 9.108 1.549 ( 0.092 0.098 9.107) 9.108 1.654 ( -5.139 -4.788 -3.582) 7.884 1.654 ( -5.139 -4.788 3.582) 7.884 1.693 ( -3.174 -0.220 -1.381) 3.468 1.693 ( -3.174 -0.220 1.381) 3.468 1.957 ( -1.757 4.068 -2.777) 5.229 1.957 ( -1.757 4.068 2.777) 5.229 2.253 ( 3.585 2.470 -15.622) 16.217 2.253 ( 3.585 2.470 15.622) 16.217 2.827 ( -5.000 0.445 -1.943) 5.383 2.827 ( -5.000 0.445 1.943) 5.383 3.065 ( -1.534 0.737 -2.103) 2.705 3.065 ( -1.534 0.737 2.103) 2.705 3.345 ( -6.010 -0.844 -2.048) 6.405 3.345 ( -6.010 -0.844 2.048) 6.405 3.656 ( 1.522 0.416 -2.836) 3.246 3.656 ( 1.522 0.416 2.836) 3.246 3.890 ( 1.989 0.162 -0.996) 2.230 3.890 ( 1.989 0.162 0.996) 2.230 3.965 ( 2.233 0.419 -0.790) 2.405 3.965 ( 2.233 0.419 0.790) 2.405 4.372 ( -3.290 -3.472 -4.925) 6.866 4.372 ( -3.290 -3.472 4.925) 6.866 5.150 ( 2.592 0.647 -8.591) 8.996 5.150 ( 2.592 0.647 8.591) 8.996 5.693 ( 3.034 -0.508 -0.984) 3.229 5.693 ( 3.034 -0.508 0.984) 3.229 ======================= Grid point 372 (113/129) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 6.114 -6.671) 9.049 0.478 ( 0.000 6.114 6.671) 9.049 0.711 ( 0.000 4.246 -11.732) 12.477 0.711 ( 0.000 4.246 11.732) 12.477 1.109 ( 0.000 0.383 -8.528) 8.536 1.109 ( 0.000 0.383 8.528) 8.536 1.369 ( -0.000 -2.507 -3.801) 4.553 1.369 ( -0.000 -2.507 3.801) 4.553 1.549 ( -0.000 -0.575 -11.093) 11.108 1.549 ( -0.000 -0.575 11.093) 11.108 1.639 ( -0.000 -5.947 -1.979) 6.267 1.639 ( -0.000 -5.947 1.979) 6.267 1.651 ( -0.000 -0.194 -1.468) 1.481 1.651 ( -0.000 -0.194 1.468) 1.481 1.926 ( 0.000 4.711 -3.020) 5.596 1.926 ( 0.000 4.711 3.020) 5.596 2.285 ( 0.000 1.984 -15.133) 15.262 2.285 ( 0.000 1.984 15.133) 15.262 2.773 ( 0.000 0.123 -1.429) 1.434 2.773 ( 0.000 0.123 1.429) 1.434 3.038 ( 0.000 0.183 -0.108) 0.212 3.038 ( 0.000 0.183 0.108) 0.212 3.285 ( -0.000 -0.178 -2.269) 2.276 3.285 ( -0.000 -0.178 2.269) 2.276 3.669 ( 0.000 0.556 -2.605) 2.664 3.669 ( 0.000 0.556 2.605) 2.664 3.908 ( 0.000 0.085 -0.793) 0.798 3.908 ( 0.000 0.085 0.793) 0.798 3.990 ( 0.000 0.467 -1.317) 1.397 3.990 ( 0.000 0.467 1.317) 1.397 4.352 ( -0.000 -3.627 -5.361) 6.473 4.352 ( -0.000 -3.627 5.361) 6.473 5.171 ( 0.000 0.641 -8.616) 8.640 5.171 ( 0.000 0.641 8.616) 8.640 5.729 ( -0.000 -0.600 -2.043) 2.129 5.729 ( -0.000 -0.600 2.043) 2.129 ======================= Grid point 382 (114/129) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.457 0.000 -1.169) 1.255 0.978 ( 0.457 0.000 1.169) 1.255 1.318 ( -1.541 -0.000 -4.701) 4.947 1.318 ( -1.541 -0.000 4.701) 4.947 1.466 ( -5.159 -0.000 -0.737) 5.212 1.466 ( -5.159 -0.000 0.737) 5.212 1.565 ( 2.200 0.000 -0.494) 2.254 1.565 ( 2.200 0.000 0.494) 2.254 1.640 ( 1.231 0.000 -2.836) 3.092 1.640 ( 1.231 0.000 2.836) 3.092 1.857 ( 1.034 0.000 -0.862) 1.346 1.857 ( 1.034 0.000 0.862) 1.346 2.038 ( -1.065 -0.000 -21.975) 22.001 2.038 ( -1.065 -0.000 21.975) 22.001 2.247 ( 0.268 0.000 -0.598) 0.655 2.247 ( 0.268 0.000 0.598) 0.655 2.413 ( 1.218 0.000 -1.635) 2.039 2.413 ( 1.218 0.000 1.635) 2.039 2.924 ( -0.181 -0.000 -3.141) 3.146 2.924 ( -0.181 -0.000 3.141) 3.146 3.346 ( -1.123 -0.000 -3.771) 3.935 3.346 ( -1.123 -0.000 3.771) 3.935 3.498 ( -1.050 -0.000 -1.017) 1.462 3.498 ( -1.050 -0.000 1.017) 1.462 3.514 ( 1.366 0.000 -1.886) 2.329 3.514 ( 1.366 0.000 1.886) 2.329 3.837 ( -0.106 -0.000 -3.640) 3.641 3.837 ( -0.106 -0.000 3.640) 3.641 3.941 ( -0.129 -0.000 -0.517) 0.533 3.941 ( -0.129 -0.000 0.517) 0.533 4.539 ( -0.599 -0.000 -7.705) 7.728 4.539 ( -0.599 -0.000 7.705) 7.728 4.655 ( 0.252 0.000 -5.382) 5.388 4.655 ( 0.252 0.000 5.382) 5.388 5.534 ( -0.439 -0.000 -3.865) 3.890 5.534 ( -0.439 -0.000 3.865) 3.890 ======================= Grid point 384 (115/129) ======================= q-point: (-0.67 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 3.012 0.100 -1.232) 3.255 1.020 ( 3.012 0.100 1.232) 3.255 1.249 ( -6.191 0.351 -6.680) 9.114 1.249 ( -6.191 0.351 6.680) 9.114 1.352 ( -4.804 -1.648 -2.076) 5.487 1.352 ( -4.804 -1.648 2.076) 5.487 1.588 ( -0.104 -0.006 -2.145) 2.147 1.588 ( -0.104 -0.006 2.145) 2.147 1.698 ( 3.216 1.140 -1.889) 3.900 1.698 ( 3.216 1.140 1.889) 3.900 1.798 ( -4.854 -0.369 -1.000) 4.970 1.798 ( -4.854 -0.369 1.000) 4.970 2.051 ( 1.640 -0.135 -21.682) 21.745 2.051 ( 1.640 -0.135 21.682) 21.745 2.248 ( -1.497 -0.229 -0.781) 1.704 2.248 ( -1.497 -0.229 0.781) 1.704 2.409 ( -1.191 0.514 -1.940) 2.334 2.409 ( -1.191 0.514 1.940) 2.334 2.943 ( 2.134 -0.069 -3.244) 3.884 2.943 ( 2.134 -0.069 3.244) 3.884 3.274 ( -5.272 -0.163 -3.351) 6.249 3.274 ( -5.272 -0.163 3.351) 6.249 3.483 ( -0.649 -0.045 -0.953) 1.154 3.483 ( -0.649 -0.045 0.953) 1.154 3.535 ( 0.591 0.019 -1.024) 1.182 3.535 ( 0.591 0.019 1.024) 1.182 3.817 ( -1.554 -0.018 -3.302) 3.649 3.817 ( -1.554 -0.018 3.302) 3.649 3.958 ( 1.235 -0.030 -0.059) 1.237 3.958 ( 1.235 -0.030 0.059) 1.237 4.516 ( -1.526 -0.138 -3.692) 3.998 4.516 ( -1.526 -0.138 3.692) 3.998 4.706 ( 4.605 0.047 -0.699) 4.659 4.706 ( 4.605 0.047 0.699) 4.659 5.530 ( -0.017 -0.107 -3.340) 3.342 5.530 ( -0.017 -0.107 3.340) 3.342 ======================= Grid point 386 (116/129) ======================= q-point: (-0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -1.493 1.490 -1.758) 2.746 1.043 ( -1.493 1.490 1.758) 2.746 1.094 ( -8.944 -2.761 -4.867) 10.550 1.094 ( -8.944 -2.761 4.867) 10.550 1.326 ( 0.206 -2.296 -2.616) 3.487 1.326 ( 0.206 -2.296 2.616) 3.487 1.549 ( -4.309 0.340 -2.106) 4.808 1.549 ( -4.309 0.340 2.106) 4.808 1.665 ( -2.165 2.767 -1.529) 3.832 1.665 ( -2.165 2.767 1.529) 3.832 1.794 ( 1.455 -1.329 -4.102) 4.551 1.794 ( 1.455 -1.329 4.102) 4.551 2.087 ( 1.720 -0.041 -18.790) 18.869 2.087 ( 1.720 -0.041 18.790) 18.869 2.156 ( -8.046 -0.005 -0.644) 8.072 2.156 ( -8.046 -0.005 0.644) 8.072 2.360 ( -3.844 0.992 -0.573) 4.011 2.360 ( -3.844 0.992 0.573) 4.011 2.997 ( 2.739 -0.294 -3.196) 4.219 2.997 ( 2.739 -0.294 3.196) 4.219 3.177 ( -4.392 -0.020 -3.155) 5.408 3.177 ( -4.392 -0.020 3.155) 5.408 3.478 ( 0.443 -0.018 -0.394) 0.593 3.478 ( 0.443 -0.018 0.394) 0.593 3.550 ( 1.389 -0.241 -0.366) 1.456 3.550 ( 1.389 -0.241 0.366) 1.456 3.783 ( -2.001 -0.055 -3.333) 3.888 3.783 ( -2.001 -0.055 3.333) 3.888 3.972 ( 0.063 -0.092 -0.408) 0.423 3.972 ( 0.063 -0.092 0.408) 0.423 4.486 ( -1.792 -0.478 -0.422) 1.902 4.486 ( -1.792 -0.478 0.422) 1.902 4.819 ( 6.861 0.117 -3.568) 7.734 4.819 ( 6.861 0.117 3.568) 7.734 5.537 ( 0.751 -0.339 -2.291) 2.435 5.537 ( 0.751 -0.339 2.291) 2.435 ======================= Grid point 388 (117/129) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -10.389 -2.506 -6.373) 12.443 0.896 ( -10.389 -2.506 6.373) 12.443 1.019 ( -2.239 1.099 -3.706) 4.467 1.019 ( -2.239 1.099 3.706) 4.467 1.317 ( -3.959 -3.916 -2.450) 6.083 1.317 ( -3.959 -3.916 2.450) 6.083 1.467 ( -2.142 1.867 -3.280) 4.339 1.467 ( -2.142 1.867 3.280) 4.339 1.639 ( -0.377 1.791 -2.384) 3.006 1.639 ( -0.377 1.791 2.384) 3.006 1.791 ( -3.096 -1.873 -3.991) 5.387 1.791 ( -3.096 -1.873 3.991) 5.387 1.944 ( -11.288 1.245 -2.293) 11.586 1.944 ( -11.288 1.245 2.293) 11.586 2.133 ( 1.719 0.169 -16.470) 16.560 2.133 ( 1.719 0.169 16.470) 16.560 2.251 ( -6.160 1.218 -3.074) 6.991 2.251 ( -6.160 1.218 3.074) 6.991 3.018 ( -1.280 0.019 -3.507) 3.734 3.018 ( -1.280 0.019 3.507) 3.734 3.115 ( -1.867 0.381 -2.813) 3.398 3.115 ( -1.867 0.381 2.813) 3.398 3.505 ( 1.524 -0.043 -0.122) 1.529 3.505 ( 1.524 -0.043 0.122) 1.529 3.585 ( 1.285 -0.359 -1.561) 2.053 3.585 ( 1.285 -0.359 1.561) 2.053 3.754 ( 0.128 -0.193 -1.968) 1.982 3.754 ( 0.128 -0.193 1.968) 1.982 3.962 ( -0.907 -0.045 -0.351) 0.973 3.962 ( -0.907 -0.045 0.351) 0.973 4.449 ( -2.545 -1.123 -1.740) 3.281 4.449 ( -2.545 -1.123 1.740) 3.281 4.957 ( 7.288 0.257 -6.554) 9.805 4.957 ( 7.288 0.257 6.554) 9.805 5.565 ( 2.013 -0.498 -0.987) 2.296 5.565 ( 2.013 -0.498 0.987) 2.296 ======================= Grid point 390 (118/129) ======================= q-point: (-0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -8.661 -0.400 -5.301) 10.162 0.716 ( -8.661 -0.400 5.301) 10.162 0.961 ( -3.075 3.042 -3.180) 5.368 0.961 ( -3.075 3.042 3.180) 5.368 1.251 ( -4.250 -6.236 -2.833) 8.061 1.251 ( -4.250 -6.236 2.833) 8.061 1.412 ( -4.530 2.767 -3.790) 6.522 1.412 ( -4.530 2.767 3.790) 6.522 1.582 ( -4.088 1.308 -6.879) 8.109 1.582 ( -4.088 1.308 6.879) 8.109 1.710 ( -5.600 -3.908 -3.193) 7.539 1.710 ( -5.600 -3.908 3.193) 7.539 1.773 ( -5.455 1.310 -3.600) 6.666 1.773 ( -5.455 1.310 3.600) 6.666 2.078 ( -5.824 1.622 -3.801) 7.141 2.078 ( -5.824 1.622 3.801) 7.141 2.217 ( 3.177 1.814 -15.395) 15.824 2.217 ( 3.177 1.814 15.395) 15.824 2.946 ( -5.524 0.579 -3.119) 6.370 2.946 ( -5.524 0.579 3.119) 6.370 3.095 ( -0.390 0.784 -2.772) 2.907 3.095 ( -0.390 0.784 2.772) 2.907 3.462 ( -6.245 -0.657 -1.418) 6.438 3.462 ( -6.245 -0.657 1.418) 6.438 3.618 ( 2.512 -0.080 -3.354) 4.191 3.618 ( 2.512 -0.080 3.354) 4.191 3.818 ( 5.090 -0.092 -2.050) 5.488 3.818 ( 5.090 -0.092 2.050) 5.488 3.949 ( -0.119 0.241 -0.371) 0.458 3.949 ( -0.119 0.241 0.371) 0.458 4.398 ( -3.626 -2.152 -2.838) 5.083 4.398 ( -3.626 -2.152 2.838) 5.083 5.081 ( 5.469 0.442 -8.242) 9.901 5.081 ( 5.469 0.442 8.242) 9.901 5.620 ( 3.409 -0.437 -0.474) 3.469 5.620 ( 3.409 -0.437 0.474) 3.469 ======================= Grid point 392 (119/129) ======================= q-point: (-0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -3.180 3.685 -3.617) 6.064 0.589 ( -3.180 3.685 3.617) 6.064 0.859 ( -5.274 5.383 -5.992) 9.628 0.859 ( -5.274 5.383 5.992) 9.628 1.182 ( -6.545 -2.835 -4.675) 8.528 1.182 ( -6.545 -2.835 4.675) 8.528 1.320 ( -0.753 -1.173 -3.808) 4.055 1.320 ( -0.753 -1.173 3.808) 4.055 1.549 ( -0.291 -0.196 -9.286) 9.292 1.549 ( -0.291 -0.196 9.286) 9.292 1.606 ( -5.738 -4.429 -2.286) 7.600 1.606 ( -5.738 -4.429 2.286) 7.600 1.694 ( -3.456 0.143 -1.685) 3.847 1.694 ( -3.456 0.143 1.685) 3.847 1.992 ( -1.680 2.886 -3.695) 4.981 1.992 ( -1.680 2.886 3.695) 4.981 2.279 ( 3.705 2.516 -15.592) 16.223 2.279 ( 3.705 2.516 15.592) 16.223 2.831 ( -5.235 0.450 -2.129) 5.670 2.831 ( -5.235 0.450 2.129) 5.670 3.072 ( -1.866 0.736 -2.055) 2.872 3.072 ( -1.866 0.736 2.055) 2.872 3.337 ( -5.640 -0.817 -1.510) 5.896 3.337 ( -5.640 -0.817 1.510) 5.896 3.660 ( 1.707 0.401 -3.024) 3.496 3.660 ( 1.707 0.401 3.024) 3.496 3.892 ( 2.029 0.163 -1.196) 2.361 3.892 ( 2.029 0.163 1.196) 2.361 3.969 ( 2.225 0.314 -0.884) 2.414 3.969 ( 2.225 0.314 0.884) 2.414 4.338 ( -3.630 -3.218 -3.223) 5.824 4.338 ( -3.630 -3.218 3.223) 5.824 5.156 ( 2.617 0.580 -8.555) 8.965 5.156 ( 2.617 0.580 8.555) 8.965 5.689 ( 3.087 -0.300 -0.647) 3.168 5.689 ( 3.087 -0.300 0.647) 3.168 ======================= Grid point 394 (120/129) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 6.764 -4.058) 7.888 0.543 ( 0.000 6.764 4.058) 7.888 0.759 ( 0.000 5.133 -10.312) 11.519 0.759 ( 0.000 5.133 10.312) 11.519 1.113 ( 0.000 0.372 -6.401) 6.411 1.113 ( 0.000 0.372 6.401) 6.411 1.340 ( -0.000 -3.215 -3.237) 4.563 1.340 ( -0.000 -3.215 3.237) 4.563 1.533 ( -0.000 -2.927 -11.500) 11.867 1.533 ( -0.000 -2.927 11.500) 11.867 1.592 ( -0.000 -2.955 -5.157) 5.943 1.592 ( -0.000 -2.955 5.157) 5.943 1.649 ( -0.000 -0.261 -2.085) 2.101 1.649 ( -0.000 -0.261 2.085) 2.101 1.966 ( 0.000 3.392 -3.832) 5.118 1.966 ( 0.000 3.392 3.832) 5.118 2.309 ( 0.000 2.582 -15.171) 15.389 2.309 ( 0.000 2.582 15.171) 15.389 2.774 ( 0.000 0.143 -1.444) 1.452 2.774 ( 0.000 0.143 1.444) 1.452 3.040 ( 0.000 0.210 -0.092) 0.229 3.040 ( 0.000 0.210 0.092) 0.229 3.284 ( -0.000 -0.140 -1.808) 1.814 3.284 ( -0.000 -0.140 1.808) 1.814 3.674 ( 0.000 0.608 -2.818) 2.883 3.674 ( 0.000 0.608 2.818) 2.883 3.909 ( 0.000 0.098 -0.801) 0.807 3.909 ( 0.000 0.098 0.801) 0.807 3.994 ( 0.000 0.425 -1.608) 1.664 3.994 ( 0.000 0.425 1.608) 1.664 4.315 ( -0.000 -3.778 -4.238) 5.678 4.315 ( -0.000 -3.778 4.238) 5.678 5.178 ( 0.000 0.658 -8.499) 8.525 5.178 ( 0.000 0.658 8.499) 8.525 5.723 ( -0.000 -0.379 -1.364) 1.415 5.723 ( -0.000 -0.379 1.364) 1.415 ======================= Grid point 408 (121/129) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.269 -0.000 -4.036) 4.045 1.055 ( -0.269 -0.000 4.036) 4.045 1.076 ( -10.285 -0.000 -6.750) 12.302 1.076 ( -10.285 -0.000 6.750) 12.302 1.314 ( 0.093 0.000 -2.789) 2.791 1.314 ( 0.093 0.000 2.789) 2.791 1.551 ( -3.943 -0.000 -2.187) 4.509 1.551 ( -3.943 -0.000 2.187) 4.509 1.680 ( -2.851 -0.000 -0.310) 2.867 1.680 ( -2.851 -0.000 0.310) 2.867 1.787 ( 1.764 0.000 -3.890) 4.271 1.787 ( 1.764 0.000 3.890) 4.271 2.087 ( 1.880 0.000 -18.943) 19.036 2.087 ( 1.880 0.000 18.943) 19.036 2.156 ( -7.901 -0.000 -1.021) 7.967 2.156 ( -7.901 -0.000 1.021) 7.967 2.365 ( -3.950 -0.000 -0.529) 3.985 2.365 ( -3.950 -0.000 0.529) 3.985 2.996 ( 2.745 0.000 -3.196) 4.213 2.996 ( 2.745 0.000 3.196) 4.213 3.176 ( -4.293 -0.000 -3.160) 5.330 3.176 ( -4.293 -0.000 3.160) 5.330 3.477 ( 0.458 0.000 -0.357) 0.581 3.477 ( 0.458 0.000 0.357) 0.581 3.549 ( 1.351 0.000 -0.407) 1.411 3.549 ( 1.351 0.000 0.407) 1.411 3.783 ( -2.015 -0.000 -3.311) 3.876 3.783 ( -2.015 -0.000 3.311) 3.876 3.972 ( 0.059 0.000 -0.396) 0.401 3.972 ( 0.059 0.000 0.396) 0.401 4.484 ( -1.858 -0.000 -0.431) 1.907 4.484 ( -1.858 -0.000 0.431) 1.907 4.819 ( 6.873 0.000 -3.652) 7.783 4.819 ( 6.873 0.000 3.652) 7.783 5.535 ( 0.731 0.000 -2.204) 2.322 5.535 ( 0.731 0.000 2.204) 2.322 ======================= Grid point 412 (122/129) ======================= q-point: (-0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -9.980 -0.901 -6.649) 12.025 0.879 ( -9.980 -0.901 6.649) 12.025 1.027 ( -1.919 0.467 -2.761) 3.395 1.027 ( -1.919 0.467 2.761) 3.395 1.290 ( -4.172 -1.443 -2.674) 5.161 1.290 ( -4.172 -1.443 2.674) 5.161 1.479 ( -2.144 0.595 -3.805) 4.408 1.479 ( -2.144 0.595 3.805) 4.408 1.655 ( -0.299 0.978 -2.633) 2.824 1.655 ( -0.299 0.978 2.633) 2.824 1.776 ( -3.812 -0.956 -3.474) 5.245 1.776 ( -3.812 -0.956 3.474) 5.245 1.952 ( -11.128 0.415 -2.855) 11.496 1.952 ( -11.128 0.415 2.855) 11.496 2.134 ( 1.831 0.049 -16.281) 16.384 2.134 ( 1.831 0.049 16.281) 16.384 2.260 ( -5.940 0.461 -3.104) 6.718 2.260 ( -5.940 0.461 3.104) 6.718 3.018 ( -1.038 0.006 -3.589) 3.736 3.018 ( -1.038 0.006 3.589) 3.736 3.118 ( -1.767 0.137 -2.796) 3.310 3.118 ( -1.767 0.137 2.796) 3.310 3.504 ( 1.492 -0.011 -0.133) 1.498 3.504 ( 1.492 -0.011 0.133) 1.498 3.582 ( 1.279 -0.138 -1.578) 2.036 3.582 ( 1.279 -0.138 1.578) 2.036 3.753 ( 0.108 -0.071 -1.793) 1.798 3.753 ( 0.108 -0.071 1.793) 1.798 3.962 ( -0.833 -0.017 -0.328) 0.896 3.962 ( -0.833 -0.017 0.328) 0.896 4.441 ( -2.744 -0.412 -1.432) 3.123 4.441 ( -2.744 -0.412 1.432) 3.123 4.959 ( 7.326 0.093 -6.698) 9.927 4.959 ( 7.326 0.093 6.698) 9.927 5.561 ( 2.044 -0.178 -0.692) 2.165 5.561 ( 2.044 -0.178 0.692) 2.165 ======================= Grid point 414 (123/129) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -7.090 -0.070 -4.888) 8.612 0.714 ( -7.090 -0.070 4.888) 8.612 0.988 ( -1.713 2.201 -2.354) 3.650 0.988 ( -1.713 2.201 2.354) 3.650 1.199 ( -5.341 -4.051 -3.770) 7.691 1.199 ( -5.341 -4.051 3.770) 7.691 1.435 ( -3.764 1.673 -3.012) 5.103 1.435 ( -3.764 1.673 3.012) 5.103 1.600 ( -5.176 2.476 -4.858) 7.518 1.600 ( -5.176 2.476 4.858) 7.518 1.670 ( -5.963 -3.991 -2.344) 7.548 1.670 ( -5.963 -3.991 2.344) 7.548 1.783 ( -5.822 0.665 -4.232) 7.228 1.783 ( -5.822 0.665 4.232) 7.228 2.090 ( -5.228 0.798 -4.647) 7.040 2.090 ( -5.228 0.798 4.647) 7.040 2.232 ( 3.297 1.082 -15.580) 15.962 2.232 ( 3.297 1.082 15.580) 15.962 2.951 ( -5.446 0.345 -3.362) 6.410 2.951 ( -5.446 0.345 3.362) 6.410 3.101 ( -0.284 0.449 -2.670) 2.722 3.101 ( -0.284 0.449 2.670) 2.722 3.456 ( -6.556 -0.394 -1.241) 6.684 3.456 ( -6.556 -0.394 1.241) 6.684 3.617 ( 2.750 -0.048 -3.419) 4.388 3.617 ( 2.750 -0.048 3.419) 4.388 3.817 ( 5.191 -0.057 -2.251) 5.659 3.817 ( 5.191 -0.057 2.251) 5.659 3.951 ( -0.039 0.126 -0.392) 0.414 3.951 ( -0.039 0.126 0.392) 0.414 4.381 ( -3.942 -1.218 -1.835) 4.516 4.381 ( -3.942 -1.218 1.835) 4.516 5.085 ( 5.502 0.242 -8.343) 9.997 5.085 ( 5.502 0.242 8.343) 9.997 5.617 ( 3.528 -0.220 -0.513) 3.572 5.617 ( 3.528 -0.220 0.513) 3.572 ======================= Grid point 416 (124/129) ======================= q-point: (-0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -1.263 3.019 -1.818) 3.744 0.624 ( -1.263 3.019 1.818) 3.744 0.911 ( -4.951 4.802 -5.370) 8.741 0.911 ( -4.951 4.802 5.370) 8.741 1.144 ( -3.129 -4.323 -4.131) 6.749 1.144 ( -3.129 -4.323 4.131) 6.749 1.320 ( -3.923 0.775 -3.072) 5.043 1.320 ( -3.923 0.775 3.072) 5.043 1.542 ( -2.973 -1.496 -8.312) 8.954 1.542 ( -2.973 -1.496 8.312) 8.954 1.572 ( -3.400 -2.098 -3.839) 5.541 1.572 ( -3.400 -2.098 3.839) 5.541 1.695 ( -3.856 0.092 -2.346) 4.514 1.695 ( -3.856 0.092 2.346) 4.514 2.015 ( -1.667 1.723 -4.444) 5.050 2.015 ( -1.667 1.723 4.444) 5.050 2.301 ( 3.846 1.837 -15.660) 16.230 2.301 ( 3.846 1.837 15.660) 16.230 2.835 ( -5.447 0.333 -2.288) 5.917 2.835 ( -5.447 0.333 2.288) 5.917 3.078 ( -2.172 0.538 -1.998) 3.000 3.078 ( -2.172 0.538 1.998) 3.000 3.330 ( -5.268 -0.583 -1.056) 5.404 3.330 ( -5.268 -0.583 1.056) 5.404 3.664 ( 1.852 0.279 -3.185) 3.694 3.664 ( 1.852 0.279 3.185) 3.694 3.893 ( 2.070 0.119 -1.353) 2.476 3.893 ( 2.070 0.119 1.353) 2.476 3.972 ( 2.193 0.160 -1.032) 2.429 3.972 ( 2.193 0.160 1.032) 2.429 4.310 ( -3.824 -2.191 -1.914) 4.805 4.310 ( -3.824 -2.191 1.914) 4.805 5.161 ( 2.632 0.387 -8.488) 8.895 5.161 ( 2.632 0.387 8.488) 8.895 5.687 ( 3.177 -0.105 -0.459) 3.212 5.687 ( 3.177 -0.105 0.459) 3.212 ======================= Grid point 418 (125/129) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 5.846 -1.889) 6.144 0.607 ( 0.000 5.846 1.889) 6.144 0.809 ( 0.000 4.806 -8.976) 10.182 0.809 ( 0.000 4.806 8.976) 10.182 1.116 ( 0.000 0.179 -5.272) 5.275 1.116 ( 0.000 0.179 5.272) 5.275 1.308 ( -0.000 -3.214 -2.628) 4.151 1.308 ( -0.000 -3.214 2.628) 4.151 1.496 ( -0.000 -3.960 -9.363) 10.167 1.496 ( -0.000 -3.960 9.363) 10.167 1.577 ( -0.000 -0.642 -7.809) 7.835 1.577 ( -0.000 -0.642 7.809) 7.835 1.646 ( -0.000 -0.255 -2.653) 2.665 1.646 ( -0.000 -0.255 2.653) 2.665 1.994 ( 0.000 2.211 -4.517) 5.029 1.994 ( 0.000 2.211 4.517) 5.029 2.334 ( 0.000 2.339 -15.102) 15.282 2.334 ( 0.000 2.339 15.102) 15.282 2.775 ( 0.000 0.125 -1.459) 1.464 2.775 ( 0.000 0.125 1.459) 1.464 3.042 ( 0.000 0.181 -0.076) 0.196 3.042 ( 0.000 0.181 0.076) 0.196 3.283 ( -0.000 -0.064 -1.433) 1.435 3.283 ( -0.000 -0.064 1.433) 1.435 3.680 ( 0.000 0.488 -3.016) 3.055 3.680 ( 0.000 0.488 3.016) 3.055 3.910 ( 0.000 0.085 -0.810) 0.814 3.910 ( 0.000 0.085 0.810) 0.814 3.998 ( 0.000 0.257 -2.075) 2.091 3.998 ( 0.000 0.257 2.075) 2.091 4.281 ( -0.000 -2.925 -3.642) 4.671 4.281 ( -0.000 -2.925 3.642) 4.671 5.184 ( 0.000 0.510 -8.334) 8.349 5.184 ( 0.000 0.510 8.334) 8.349 5.721 ( -0.000 -0.108 -0.797) 0.804 5.721 ( -0.000 -0.108 0.797) 0.804 ======================= Grid point 436 (126/129) ======================= q-point: (-0.58 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -6.479 -0.000 -4.655) 7.978 0.713 ( -6.479 -0.000 4.655) 7.978 1.000 ( -0.978 -0.000 -0.849) 1.295 1.000 ( -0.978 -0.000 0.849) 1.295 1.177 ( -5.988 -0.000 -4.024) 7.215 1.177 ( -5.988 -0.000 4.024) 7.215 1.443 ( -3.399 -0.000 -2.533) 4.239 1.443 ( -3.399 -0.000 2.533) 4.239 1.626 ( -6.725 -0.000 -3.901) 7.775 1.626 ( -6.725 -0.000 3.901) 7.775 1.637 ( -5.026 -0.000 -3.025) 5.867 1.637 ( -5.026 -0.000 3.025) 5.867 1.786 ( -5.947 -0.000 -4.431) 7.416 1.786 ( -5.947 -0.000 4.431) 7.416 2.094 ( -5.024 -0.000 -4.929) 7.038 2.094 ( -5.024 -0.000 4.929) 7.038 2.238 ( 3.326 0.000 -15.641) 15.991 2.238 ( 3.326 0.000 15.641) 15.991 2.953 ( -5.418 -0.000 -3.458) 6.428 2.953 ( -5.418 -0.000 3.458) 6.428 3.103 ( -0.241 -0.000 -2.627) 2.638 3.103 ( -0.241 -0.000 2.627) 2.638 3.454 ( -6.672 -0.000 -1.166) 6.773 3.454 ( -6.672 -0.000 1.166) 6.773 3.617 ( 2.838 0.000 -3.441) 4.460 3.617 ( 2.838 0.000 3.441) 4.460 3.817 ( 5.227 0.000 -2.321) 5.720 3.817 ( 5.227 0.000 2.321) 5.720 3.951 ( -0.014 -0.000 -0.400) 0.401 3.951 ( -0.014 -0.000 0.400) 0.401 4.375 ( -4.049 -0.000 -1.416) 4.290 4.375 ( -4.049 -0.000 1.416) 4.290 5.086 ( 5.512 0.000 -8.376) 10.027 5.086 ( 5.512 0.000 8.376) 10.027 5.616 ( 3.577 0.000 -0.528) 3.615 5.616 ( 3.577 0.000 0.528) 3.615 ======================= Grid point 440 (127/129) ======================= q-point: (-0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -0.225 1.187 -0.597) 1.348 0.645 ( -0.225 1.187 0.597) 1.348 0.949 ( -5.168 2.404 -5.847) 8.166 0.949 ( -5.168 2.404 5.847) 8.166 1.107 ( -0.923 -2.440 -4.361) 5.082 1.107 ( -0.923 -2.440 4.361) 5.082 1.328 ( -5.746 0.600 -1.405) 5.946 1.328 ( -5.746 0.600 1.405) 5.946 1.525 ( -5.806 -1.168 -4.391) 7.373 1.525 ( -5.806 -1.168 4.391) 7.373 1.562 ( -0.617 -0.277 -8.366) 8.393 1.562 ( -0.617 -0.277 8.366) 8.393 1.696 ( -4.089 0.026 -2.784) 4.947 1.696 ( -4.089 0.026 2.784) 4.947 2.026 ( -1.648 0.576 -4.843) 5.148 2.026 ( -1.648 0.576 4.843) 5.148 2.313 ( 3.929 0.668 -15.757) 16.253 2.313 ( 3.929 0.668 15.757) 16.253 2.838 ( -5.572 0.123 -2.380) 6.061 2.838 ( -5.572 0.123 2.380) 6.061 3.082 ( -2.359 0.197 -1.957) 3.071 3.082 ( -2.359 0.197 1.957) 3.071 3.326 ( -5.029 -0.210 -0.799) 5.096 3.326 ( -5.029 -0.210 0.799) 5.096 3.666 ( 1.928 0.098 -3.275) 3.802 3.666 ( 1.928 0.098 3.275) 3.802 3.894 ( 2.096 0.044 -1.438) 2.542 3.894 ( 2.096 0.044 1.438) 2.542 3.973 ( 2.162 0.043 -1.148) 2.448 3.973 ( 2.162 0.043 1.148) 2.448 4.295 ( -3.895 -0.767 -1.119) 4.124 4.295 ( -3.895 -0.767 1.119) 4.124 5.164 ( 2.638 0.134 -8.436) 8.840 5.164 ( 2.638 0.134 8.436) 8.840 5.686 ( 3.243 -0.017 -0.407) 3.269 5.686 ( 3.243 -0.017 0.407) 3.269 ======================= Grid point 442 (128/129) ======================= q-point: (-0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 3.463 -1.686) 3.851 0.655 ( 0.000 3.463 1.686) 3.851 0.850 ( 0.000 3.036 -8.042) 8.596 0.850 ( 0.000 3.036 8.042) 8.596 1.116 ( -0.000 -0.007 -5.059) 5.059 1.116 ( -0.000 -0.007 5.059) 5.059 1.280 ( -0.000 -2.142 -2.107) 3.005 1.280 ( -0.000 -2.142 2.107) 3.005 1.463 ( -0.000 -2.409 -7.857) 8.219 1.463 ( -0.000 -2.409 7.857) 8.219 1.573 ( -0.000 -0.175 -9.293) 9.295 1.573 ( -0.000 -0.175 9.293) 9.295 1.644 ( -0.000 -0.158 -3.043) 3.047 1.644 ( -0.000 -0.158 3.043) 3.047 2.010 ( 0.000 1.128 -4.880) 5.009 2.010 ( 0.000 1.128 4.880) 5.009 2.353 ( 0.000 1.354 -15.081) 15.142 2.353 ( 0.000 1.354 15.081) 15.142 2.776 ( 0.000 0.073 -1.469) 1.471 2.776 ( 0.000 0.073 1.469) 1.471 3.044 ( 0.000 0.104 -0.064) 0.122 3.044 ( 0.000 0.104 0.064) 0.122 3.282 ( -0.000 -0.014 -1.207) 1.208 3.282 ( -0.000 -0.014 1.207) 1.208 3.684 ( 0.000 0.261 -3.150) 3.161 3.684 ( 0.000 0.261 3.150) 3.161 3.910 ( 0.000 0.049 -0.816) 0.817 3.910 ( 0.000 0.049 0.816) 0.817 3.999 ( 0.000 0.097 -2.531) 2.533 3.999 ( 0.000 0.097 2.531) 2.533 4.258 ( -0.000 -1.542 -3.308) 3.650 4.258 ( -0.000 -1.542 3.308) 3.650 5.188 ( 0.000 0.272 -8.190) 8.195 5.188 ( 0.000 0.272 8.190) 8.195 5.721 ( 0.000 0.016 -0.359) 0.359 5.721 ( 0.000 0.016 0.359) 0.359 ======================= Grid point 466 (129/129) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.000 0.000 -2.175) 2.175 0.672 ( 0.000 0.000 2.175) 2.175 0.865 ( 0.000 0.000 -7.710) 7.710 0.865 ( 0.000 0.000 7.710) 7.710 1.116 ( 0.000 0.000 -5.020) 5.020 1.116 ( 0.000 0.000 5.020) 5.020 1.269 ( -0.000 -0.000 -1.886) 1.886 1.269 ( -0.000 -0.000 1.886) 1.886 1.451 ( 0.000 0.000 -7.206) 7.206 1.451 ( 0.000 0.000 7.206) 7.206 1.573 ( 0.000 0.000 -9.783) 9.783 1.573 ( 0.000 0.000 9.783) 9.783 1.643 ( 0.000 0.000 -3.182) 3.182 1.643 ( 0.000 0.000 3.182) 3.182 2.016 ( 0.000 0.000 -4.982) 4.982 2.016 ( 0.000 0.000 4.982) 4.982 2.360 ( 0.000 0.000 -15.089) 15.089 2.360 ( 0.000 0.000 15.089) 15.089 2.777 ( 0.000 0.000 -1.473) 1.473 2.777 ( 0.000 0.000 1.473) 1.473 3.044 ( 0.000 0.000 -0.059) 0.059 3.044 ( 0.000 0.000 0.059) 0.059 3.282 ( 0.000 0.000 -1.133) 1.133 3.282 ( 0.000 0.000 1.133) 1.133 3.685 ( 0.000 0.000 -3.196) 3.196 3.685 ( 0.000 0.000 3.196) 3.196 3.911 ( 0.000 0.000 -0.818) 0.818 3.911 ( 0.000 0.000 0.818) 0.818 4.000 ( 0.000 0.000 -2.722) 2.722 4.000 ( 0.000 0.000 2.722) 2.722 4.251 ( 0.000 0.000 -3.172) 3.172 4.251 ( 0.000 0.000 3.172) 3.172 5.189 ( 0.000 0.000 -8.134) 8.134 5.189 ( 0.000 0.000 8.134) 8.134 5.721 ( 0.000 0.000 -0.002) 0.002 5.721 ( 0.000 0.000 0.002) 0.002 =================== 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 35.463 23.669 18.049 0.000 0.000 0.000 3/20736 20.0 12.728 5.073 6.796 0.000 0.000 0.000 3/20736 30.0 7.741 2.686 4.899 0.000 0.000 0.000 3/20736 40.0 5.614 1.837 3.856 0.000 0.000 0.000 3/20736 50.0 4.434 1.403 3.159 0.000 0.000 0.000 3/20736 60.0 3.680 1.140 2.670 0.000 0.000 0.000 3/20736 70.0 3.154 0.963 2.312 0.000 0.000 0.000 3/20736 80.0 2.764 0.834 2.040 0.000 0.000 0.000 3/20736 90.0 2.463 0.737 1.825 0.000 0.000 0.000 3/20736 100.0 2.221 0.661 1.652 0.000 0.000 0.000 3/20736 110.0 2.024 0.599 1.509 0.000 0.000 0.000 3/20736 120.0 1.859 0.548 1.389 0.000 0.000 0.000 3/20736 130.0 1.720 0.505 1.286 0.000 0.000 0.000 3/20736 140.0 1.600 0.469 1.198 0.000 0.000 0.000 3/20736 150.0 1.495 0.437 1.121 0.000 0.000 0.000 3/20736 160.0 1.404 0.409 1.053 0.000 0.000 0.000 3/20736 170.0 1.323 0.385 0.993 0.000 0.000 0.000 3/20736 180.0 1.251 0.364 0.940 0.000 0.000 0.000 3/20736 190.0 1.186 0.344 0.892 0.000 0.000 0.000 3/20736 200.0 1.128 0.327 0.849 0.000 0.000 0.000 3/20736 210.0 1.075 0.312 0.809 0.000 0.000 0.000 3/20736 220.0 1.027 0.297 0.773 0.000 0.000 0.000 3/20736 230.0 0.983 0.284 0.740 0.000 0.000 0.000 3/20736 240.0 0.943 0.273 0.710 0.000 0.000 0.000 3/20736 250.0 0.906 0.262 0.683 0.000 0.000 0.000 3/20736 260.0 0.872 0.252 0.657 0.000 0.000 0.000 3/20736 270.0 0.840 0.242 0.633 0.000 0.000 0.000 3/20736 280.0 0.810 0.234 0.611 0.000 0.000 0.000 3/20736 290.0 0.783 0.226 0.590 0.000 0.000 0.000 3/20736 300.0 0.757 0.218 0.571 0.000 0.000 0.000 3/20736 310.0 0.733 0.211 0.553 0.000 0.000 0.000 3/20736 320.0 0.710 0.204 0.536 0.000 0.000 0.000 3/20736 330.0 0.689 0.198 0.520 0.000 0.000 0.000 3/20736 340.0 0.669 0.192 0.505 0.000 0.000 0.000 3/20736 350.0 0.650 0.187 0.490 0.000 0.000 0.000 3/20736 360.0 0.632 0.182 0.477 0.000 0.000 0.000 3/20736 370.0 0.615 0.177 0.464 0.000 0.000 0.000 3/20736 380.0 0.599 0.172 0.452 0.000 0.000 0.000 3/20736 390.0 0.584 0.168 0.441 0.000 0.000 0.000 3/20736 400.0 0.569 0.164 0.430 0.000 0.000 0.000 3/20736 410.0 0.556 0.160 0.420 0.000 0.000 0.000 3/20736 420.0 0.542 0.156 0.410 0.000 0.000 0.000 3/20736 430.0 0.530 0.152 0.400 0.000 0.000 0.000 3/20736 440.0 0.518 0.149 0.391 0.000 0.000 0.000 3/20736 450.0 0.507 0.145 0.383 0.000 0.000 0.000 3/20736 460.0 0.496 0.142 0.374 0.000 0.000 0.000 3/20736 470.0 0.485 0.139 0.367 0.000 0.000 0.000 3/20736 480.0 0.475 0.136 0.359 0.000 0.000 0.000 3/20736 490.0 0.466 0.134 0.352 0.000 0.000 0.000 3/20736 500.0 0.456 0.131 0.345 0.000 0.000 0.000 3/20736 510.0 0.447 0.128 0.338 0.000 0.000 0.000 3/20736 520.0 0.439 0.126 0.332 0.000 0.000 0.000 3/20736 530.0 0.431 0.123 0.325 0.000 0.000 0.000 3/20736 540.0 0.423 0.121 0.320 0.000 0.000 0.000 3/20736 550.0 0.415 0.119 0.314 0.000 0.000 0.000 3/20736 560.0 0.408 0.117 0.308 0.000 0.000 0.000 3/20736 570.0 0.401 0.115 0.303 0.000 0.000 0.000 3/20736 580.0 0.394 0.113 0.298 0.000 0.000 0.000 3/20736 590.0 0.387 0.111 0.293 0.000 0.000 0.000 3/20736 600.0 0.381 0.109 0.288 0.000 0.000 0.000 3/20736 610.0 0.375 0.107 0.283 0.000 0.000 0.000 3/20736 620.0 0.369 0.106 0.279 0.000 0.000 0.000 3/20736 630.0 0.363 0.104 0.274 0.000 0.000 0.000 3/20736 640.0 0.357 0.102 0.270 0.000 0.000 0.000 3/20736 650.0 0.352 0.101 0.266 0.000 0.000 0.000 3/20736 660.0 0.346 0.099 0.262 0.000 0.000 0.000 3/20736 670.0 0.341 0.098 0.258 0.000 0.000 0.000 3/20736 680.0 0.336 0.096 0.254 0.000 0.000 0.000 3/20736 690.0 0.331 0.095 0.251 0.000 0.000 0.000 3/20736 700.0 0.327 0.094 0.247 0.000 0.000 0.000 3/20736 710.0 0.322 0.092 0.244 0.000 0.000 0.000 3/20736 720.0 0.318 0.091 0.240 0.000 0.000 0.000 3/20736 730.0 0.313 0.090 0.237 0.000 0.000 0.000 3/20736 740.0 0.309 0.088 0.234 0.000 0.000 0.000 3/20736 750.0 0.305 0.087 0.231 0.000 0.000 0.000 3/20736 760.0 0.301 0.086 0.228 0.000 0.000 0.000 3/20736 770.0 0.297 0.085 0.225 0.000 0.000 0.000 3/20736 780.0 0.293 0.084 0.222 0.000 0.000 0.000 3/20736 790.0 0.290 0.083 0.219 0.000 0.000 0.000 3/20736 800.0 0.286 0.082 0.216 0.000 0.000 0.000 3/20736 810.0 0.282 0.081 0.214 0.000 0.000 0.000 3/20736 820.0 0.279 0.080 0.211 0.000 0.000 0.000 3/20736 830.0 0.276 0.079 0.209 0.000 0.000 0.000 3/20736 840.0 0.272 0.078 0.206 0.000 0.000 0.000 3/20736 850.0 0.269 0.077 0.204 0.000 0.000 0.000 3/20736 860.0 0.266 0.076 0.201 0.000 0.000 0.000 3/20736 870.0 0.263 0.075 0.199 0.000 0.000 0.000 3/20736 880.0 0.260 0.074 0.197 0.000 0.000 0.000 3/20736 890.0 0.257 0.074 0.195 0.000 0.000 0.000 3/20736 900.0 0.254 0.073 0.192 0.000 0.000 0.000 3/20736 910.0 0.252 0.072 0.190 0.000 0.000 0.000 3/20736 920.0 0.249 0.071 0.188 0.000 0.000 0.000 3/20736 930.0 0.246 0.070 0.186 0.000 0.000 0.000 3/20736 940.0 0.244 0.070 0.184 0.000 0.000 0.000 3/20736 950.0 0.241 0.069 0.182 0.000 0.000 0.000 3/20736 960.0 0.239 0.068 0.180 0.000 0.000 0.000 3/20736 970.0 0.236 0.068 0.179 0.000 0.000 0.000 3/20736 980.0 0.234 0.067 0.177 0.000 0.000 0.000 3/20736 990.0 0.231 0.066 0.175 0.000 0.000 0.000 3/20736 1000.0 0.229 0.065 0.173 0.000 0.000 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m12124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:53:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|